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_4 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 DKFTTLCVTG DATA SEQUENCE APGNCK 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 0.000 176.263 176.300 -0.061 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 -1.198 113.322 114.554 -0.056 0.000 3.069 572 T HA 0.211 4.561 4.350 0.001 0.000 0.252 572 T C 0.971 175.638 174.700 -0.055 0.000 1.053 572 T CA -0.058 62.015 62.100 -0.046 0.000 0.964 572 T CB 0.079 68.929 68.868 -0.030 0.000 1.005 572 T HN 0.123 nan 8.240 nan 0.000 0.532 573 V N 2.417 122.281 119.914 -0.084 0.000 2.644 573 V HA 0.355 4.475 4.120 0.001 0.000 0.305 573 V C 1.786 177.831 176.094 -0.083 0.000 1.053 573 V CA 1.499 63.741 62.300 -0.096 0.000 1.186 573 V CB -0.347 31.354 31.823 -0.203 0.000 0.895 573 V HN 0.882 nan 8.190 nan 0.000 0.490 574 G N 4.398 113.167 108.800 -0.052 0.000 2.176 574 G HA2 -0.245 3.715 3.960 0.001 0.000 0.253 574 G HA3 -0.245 3.715 3.960 0.001 0.000 0.253 574 G C 0.264 175.145 174.900 -0.031 0.000 0.979 574 G CA 0.200 45.275 45.100 -0.040 0.000 0.641 574 G HN 0.651 nan 8.290 nan 0.000 0.530 575 R N 0.862 121.344 120.500 -0.030 0.000 2.474 575 R HA 0.433 4.773 4.340 0.001 0.000 0.295 575 R C -2.256 174.036 176.300 -0.014 0.000 0.980 575 R CA -1.834 54.253 56.100 -0.022 0.000 0.934 575 R CB 1.508 31.794 30.300 -0.023 0.000 1.101 575 R HN 0.013 nan 8.270 nan 0.000 0.469 576 P HA -0.040 nan 4.420 nan 0.000 0.237 576 P C -0.460 176.842 177.300 0.003 0.000 1.701 576 P CA -0.050 63.048 63.100 -0.003 0.000 0.955 576 P CB -0.164 31.534 31.700 -0.004 0.000 1.937 577 L N 3.065 124.288 121.223 0.001 0.000 2.477 577 L HA 0.233 4.574 4.340 0.001 0.000 0.272 577 L C -2.109 174.772 176.870 0.019 0.000 1.157 577 L CA -1.636 53.208 54.840 0.007 0.000 0.889 577 L CB -0.326 41.733 42.059 -0.002 0.000 1.158 577 L HN 0.038 nan 8.230 nan 0.000 0.473 578 P HA -0.003 nan 4.420 nan 0.000 0.273 578 P C -0.811 176.542 177.300 0.089 0.000 1.250 578 P CA -0.260 62.879 63.100 0.066 0.000 0.793 578 P CB 0.238 31.980 31.700 0.069 0.000 1.011 579 H N 1.469 120.557 119.070 0.030 0.000 3.157 579 H HA -0.030 4.527 4.556 0.001 0.000 0.299 579 H C 1.241 176.590 175.328 0.036 0.000 0.961 579 H CA 0.655 56.723 56.048 0.033 0.000 1.428 579 H CB 0.176 29.960 29.762 0.038 0.000 1.459 579 H HN 0.325 nan 8.280 nan 0.000 0.566 580 L N 4.169 125.457 121.223 0.108 0.000 2.129 580 L HA -0.214 4.126 4.340 0.001 0.000 0.212 580 L C 2.290 179.275 176.870 0.192 0.000 1.087 580 L CA 1.528 56.441 54.840 0.122 0.000 0.757 580 L CB -0.316 41.769 42.059 0.044 0.000 0.896 580 L HN 0.613 nan 8.230 nan 0.000 0.434 581 A N -0.851 122.180 122.820 0.352 0.000 2.308 581 A HA 0.355 4.675 4.320 0.001 0.000 0.217 581 A C 2.369 180.006 177.584 0.088 0.000 1.216 581 A CA 0.695 52.847 52.037 0.192 0.000 0.864 581 A CB -0.207 18.891 19.000 0.163 0.000 0.902 581 A HN 0.294 nan 8.150 nan 0.000 0.499 582 A N 0.527 123.415 122.820 0.113 0.000 1.883 582 A HA 0.065 4.385 4.320 0.001 0.000 0.217 582 A C 2.457 180.066 177.584 0.042 0.000 1.186 582 A CA 2.081 54.138 52.037 0.033 0.000 0.624 582 A CB -0.960 18.088 19.000 0.080 0.000 0.822 582 A HN 1.048 nan 8.150 nan 0.000 0.444 583 A N -0.523 122.332 122.820 0.057 0.000 1.883 583 A HA -0.159 4.161 4.320 0.001 0.000 0.217 583 A C 2.257 179.867 177.584 0.043 0.000 1.186 583 A CA 1.960 54.026 52.037 0.048 0.000 0.624 583 A CB -0.573 18.455 19.000 0.047 0.000 0.822 583 A HN 0.556 nan 8.150 nan 0.000 0.444 584 M N -1.065 118.561 119.600 0.044 0.000 2.296 584 M HA -0.171 4.310 4.480 0.001 0.000 0.265 584 M C 2.260 178.586 176.300 0.044 0.000 1.064 584 M CA 1.336 56.659 55.300 0.038 0.000 1.109 584 M CB -0.332 32.287 32.600 0.032 0.000 1.396 584 M HN 0.475 nan 8.290 nan 0.000 0.430 585 Q N 0.131 119.955 119.800 0.041 0.000 2.172 585 Q HA -0.035 4.305 4.340 0.001 0.000 0.200 585 Q C 2.111 178.155 176.000 0.073 0.000 0.964 585 Q CA 1.415 57.262 55.803 0.074 0.000 0.855 585 Q CB -0.125 28.637 28.738 0.040 0.000 0.918 585 Q HN 0.583 nan 8.270 nan 0.000 0.444 586 A N 0.501 123.352 122.820 0.052 0.000 2.169 586 A HA -0.040 4.280 4.320 0.001 0.000 0.212 586 A C 2.006 179.618 177.584 0.047 0.000 1.153 586 A CA 0.993 53.060 52.037 0.050 0.000 0.756 586 A CB -0.035 18.992 19.000 0.045 0.000 0.813 586 A HN 0.353 nan 8.150 nan 0.000 0.471 587 S N -1.971 113.757 115.700 0.046 0.000 2.524 587 S HA 0.369 4.839 4.470 0.001 0.000 0.216 587 S C 1.395 176.022 174.600 0.046 0.000 0.987 587 S CA 0.910 59.134 58.200 0.040 0.000 0.909 587 S CB -0.296 62.924 63.200 0.033 0.000 0.781 587 S HN 1.774 nan 8.310 nan 0.000 0.521 588 G N 1.396 110.234 108.800 0.063 0.000 2.221 588 G HA2 -0.266 3.694 3.960 0.001 0.000 0.265 588 G HA3 -0.266 3.694 3.960 0.001 0.000 0.265 588 G C 0.371 175.311 174.900 0.067 0.000 1.041 588 G CA 0.592 45.739 45.100 0.078 0.000 0.807 588 G HN 0.609 nan 8.290 nan 0.000 0.502 589 E N -0.211 120.021 120.200 0.053 0.000 2.201 589 E HA 0.385 4.735 4.350 0.001 0.000 0.193 589 E C 1.836 178.448 176.600 0.020 0.000 0.957 589 E CA 0.208 56.627 56.400 0.033 0.000 0.858 589 E CB 0.149 29.863 29.700 0.023 0.000 0.816 589 E HN 0.854 nan 8.360 nan 0.000 0.475 590 A N 2.090 124.919 122.820 0.016 0.000 2.583 590 A HA 0.019 4.339 4.320 0.001 0.000 0.249 590 A C 0.235 177.750 177.584 -0.115 0.000 1.035 590 A CA 0.302 52.297 52.037 -0.070 0.000 0.777 590 A CB -0.020 18.924 19.000 -0.094 0.000 0.942 590 A HN 0.024 nan 8.150 nan 0.000 0.516 591 V N 5.238 125.040 119.914 -0.187 0.000 2.364 591 V HA 0.280 4.400 4.120 0.001 0.000 0.272 591 V C -0.219 175.714 176.094 -0.268 0.000 1.036 591 V CA -0.085 62.136 62.300 -0.131 0.000 0.880 591 V CB -0.187 31.586 31.823 -0.084 0.000 0.991 591 V HN 0.754 nan 8.190 nan 0.000 0.460 592 Y N 2.136 122.425 120.300 -0.019 0.000 2.496 592 Y HA 0.269 4.819 4.550 0.001 0.000 0.325 592 Y C 1.673 177.556 175.900 -0.028 0.000 1.271 592 Y CA -0.185 57.903 58.100 -0.021 0.000 1.368 592 Y CB 0.361 38.808 38.460 -0.021 0.000 1.415 592 Y HN 0.617 nan 8.280 nan 0.000 0.527 593 C N 0.340 119.734 119.300 0.157 0.000 2.432 593 C HA -0.189 4.271 4.460 0.001 0.000 0.277 593 C C 2.396 177.414 174.990 0.047 0.000 1.249 593 C CA 2.133 61.197 59.018 0.077 0.000 1.725 593 C CB -0.961 26.830 27.740 0.084 0.000 2.028 593 C HN 1.029 nan 8.230 nan 0.000 0.477 594 D N 0.054 120.495 120.400 0.068 0.000 2.347 594 D HA -0.054 4.586 4.640 0.001 0.000 0.215 594 D C 1.423 177.750 176.300 0.045 0.000 0.976 594 D CA 0.903 54.938 54.000 0.057 0.000 0.884 594 D CB -0.320 40.518 40.800 0.064 0.000 0.915 594 D HN 0.548 nan 8.370 nan 0.000 0.526 595 D N -0.230 120.204 120.400 0.056 0.000 2.347 595 D HA -0.004 4.636 4.640 0.001 0.000 0.215 595 D C 0.642 176.926 176.300 -0.027 0.000 0.976 595 D CA 0.098 54.121 54.000 0.037 0.000 0.884 595 D CB 0.154 41.006 40.800 0.087 0.000 0.915 595 D HN 0.369 nan 8.370 nan 0.000 0.526 596 I N 2.809 123.333 120.570 -0.075 0.000 2.598 596 I HA 0.036 4.206 4.170 0.001 0.000 0.284 596 I C -1.858 174.165 176.117 -0.156 0.000 1.140 596 I CA -1.617 59.580 61.300 -0.172 0.000 1.420 596 I CB 0.266 38.074 38.000 -0.320 0.000 1.387 596 I HN -0.310 nan 8.210 nan 0.000 0.553 597 P HA 0.042 nan 4.420 nan 0.000 0.267 597 P C -0.679 176.500 177.300 -0.202 0.000 1.201 597 P CA -0.071 62.934 63.100 -0.157 0.000 0.775 597 P CB 0.434 32.023 31.700 -0.185 0.000 0.854 598 R N 1.295 121.723 120.500 -0.120 0.000 2.490 598 R HA 0.292 4.632 4.340 0.001 0.000 0.278 598 R C -0.112 176.095 176.300 -0.156 0.000 1.069 598 R CA -0.132 55.911 56.100 -0.095 0.000 1.080 598 R CB -0.101 30.221 30.300 0.037 0.000 1.030 598 R HN 0.440 nan 8.270 nan 0.000 0.491 599 Y N 1.463 121.746 120.300 -0.029 0.000 2.379 599 Y HA -0.106 4.444 4.550 0.001 0.000 0.337 599 Y C 1.853 177.760 175.900 0.012 0.000 1.238 599 Y CA 0.348 58.440 58.100 -0.014 0.000 1.405 599 Y CB 0.798 39.246 38.460 -0.020 0.000 1.310 599 Y HN 0.739 nan 8.280 nan 0.000 0.569 600 E N 0.531 120.852 120.200 0.202 0.000 2.187 600 E HA -0.330 4.020 4.350 0.001 0.000 0.199 600 E C 0.549 177.235 176.600 0.143 0.000 1.004 600 E CA 1.917 58.398 56.400 0.135 0.000 0.813 600 E CB -0.314 29.448 29.700 0.104 0.000 0.736 600 E HN 0.755 nan 8.360 nan 0.000 0.468 601 N N 0.776 119.570 118.700 0.156 0.000 2.204 601 N HA 0.018 4.758 4.740 0.001 0.000 0.219 601 N C -0.356 175.298 175.510 0.241 0.000 1.151 601 N CA -0.145 53.019 53.050 0.190 0.000 0.867 601 N CB 0.175 38.706 38.487 0.073 0.000 1.043 601 N HN 0.259 nan 8.380 nan 0.000 0.516 602 E N 1.117 121.416 120.200 0.165 0.000 2.415 602 E HA 0.156 4.507 4.350 0.001 0.000 0.263 602 E C -0.567 175.999 176.600 -0.056 0.000 0.995 602 E CA -0.131 56.301 56.400 0.054 0.000 0.915 602 E CB 0.512 30.212 29.700 0.000 0.000 0.951 602 E HN 0.251 nan 8.360 nan 0.000 0.449 603 L N 3.627 124.780 121.223 -0.117 0.000 2.335 603 L HA 0.562 4.903 4.340 0.001 0.000 0.268 603 L C -0.651 176.017 176.870 -0.337 0.000 1.016 603 L CA -1.036 53.752 54.840 -0.086 0.000 0.805 603 L CB 0.841 42.882 42.059 -0.030 0.000 1.311 603 L HN 0.505 nan 8.230 nan 0.000 0.456 604 F N 0.824 120.797 119.950 0.038 0.000 2.551 604 F HA 0.631 5.159 4.527 0.001 0.000 0.316 604 F C -0.312 175.513 175.800 0.042 0.000 1.089 604 F CA -0.523 57.505 58.000 0.047 0.000 0.915 604 F CB 1.898 40.927 39.000 0.050 0.000 1.186 604 F HN 0.158 nan 8.300 nan 0.000 0.456 605 L N 2.976 124.329 121.223 0.215 0.000 2.341 605 L HA 0.863 5.204 4.340 0.001 0.000 0.267 605 L C -1.188 175.783 176.870 0.168 0.000 1.009 605 L CA -0.790 54.141 54.840 0.152 0.000 0.819 605 L CB 1.982 44.106 42.059 0.107 0.000 1.323 605 L HN 0.760 nan 8.230 nan 0.000 0.425 606 R N 3.389 123.983 120.500 0.156 0.000 2.564 606 R HA 0.575 4.915 4.340 0.001 0.000 0.284 606 R C -1.861 174.538 176.300 0.166 0.000 1.031 606 R CA -0.433 55.762 56.100 0.159 0.000 0.904 606 R CB 1.490 31.888 30.300 0.162 0.000 1.199 606 R HN 0.710 nan 8.270 nan 0.000 0.443 607 L N 3.472 124.795 121.223 0.166 0.000 2.395 607 L HA 0.464 4.804 4.340 0.001 0.000 0.269 607 L C -0.290 176.696 176.870 0.194 0.000 1.133 607 L CA -0.959 53.992 54.840 0.185 0.000 0.812 607 L CB 1.500 43.663 42.059 0.173 0.000 1.125 607 L HN 0.336 nan 8.230 nan 0.000 0.452 608 V N 1.873 121.916 119.914 0.215 0.000 2.370 608 V HA 0.345 4.466 4.120 0.001 0.000 0.283 608 V C 0.173 176.391 176.094 0.206 0.000 1.023 608 V CA -0.212 62.223 62.300 0.224 0.000 0.857 608 V CB 1.590 33.601 31.823 0.313 0.000 0.985 608 V HN 0.773 nan 8.190 nan 0.000 0.443 609 T N 3.210 117.878 114.554 0.189 0.000 2.912 609 T HA 0.355 4.705 4.350 0.001 0.000 0.288 609 T C -0.046 174.777 174.700 0.205 0.000 1.030 609 T CA -0.200 62.014 62.100 0.190 0.000 1.020 609 T CB 1.769 70.739 68.868 0.170 0.000 1.056 609 T HN 0.691 nan 8.240 nan 0.000 0.480 610 S N 0.804 116.637 115.700 0.222 0.000 2.564 610 S HA 0.190 4.660 4.470 0.001 0.000 0.278 610 S C 1.246 175.926 174.600 0.133 0.000 1.333 610 S CA -0.218 58.127 58.200 0.242 0.000 1.048 610 S CB 0.296 63.647 63.200 0.251 0.000 0.900 610 S HN 0.837 nan 8.310 nan 0.000 0.505 611 T N 2.744 117.321 114.554 0.038 0.000 3.186 611 T HA 0.406 4.756 4.350 0.001 0.000 0.257 611 T C 0.222 174.798 174.700 -0.207 0.000 1.029 611 T CA -0.511 61.553 62.100 -0.060 0.000 0.916 611 T CB -0.077 68.781 68.868 -0.017 0.000 1.041 611 T HN 0.395 nan 8.240 nan 0.000 0.562 612 R N -0.176 120.174 120.500 -0.251 0.000 2.771 612 R HA 0.776 5.116 4.340 0.001 0.000 0.274 612 R C 0.658 176.922 176.300 -0.061 0.000 0.987 612 R CA -0.402 55.555 56.100 -0.238 0.000 0.908 612 R CB 1.389 31.419 30.300 -0.451 0.000 1.213 612 R HN 0.106 nan 8.270 nan 0.000 0.468 613 A N 0.549 123.354 122.820 -0.024 0.000 1.935 613 A HA -0.025 4.295 4.320 0.001 0.000 0.214 613 A C 0.122 177.771 177.584 0.108 0.000 1.178 613 A CA 1.356 53.405 52.037 0.020 0.000 0.640 613 A CB -0.052 18.942 19.000 -0.009 0.000 0.825 613 A HN 0.561 nan 8.150 nan 0.000 0.447 614 H N -1.483 117.576 119.070 -0.017 0.000 3.096 614 H HA 0.673 5.229 4.556 0.001 0.000 0.335 614 H C -0.938 174.408 175.328 0.030 0.000 0.990 614 H CA -0.536 55.522 56.048 0.015 0.000 1.393 614 H CB 1.041 30.802 29.762 -0.001 0.000 1.742 614 H HN 0.477 nan 8.280 nan 0.000 0.501 615 A N 3.720 126.595 122.820 0.092 0.000 2.597 615 A HA 0.499 4.819 4.320 0.001 0.000 0.292 615 A C -1.434 176.204 177.584 0.089 0.000 1.057 615 A CA -0.928 51.127 52.037 0.030 0.000 0.674 615 A CB 1.329 20.396 19.000 0.113 0.000 1.278 615 A HN 0.462 nan 8.150 nan 0.000 0.416 616 K N 1.043 121.477 120.400 0.057 0.000 2.276 616 K HA 0.538 4.859 4.320 0.001 0.000 0.283 616 K C -0.598 176.058 176.600 0.094 0.000 1.044 616 K CA -0.159 56.165 56.287 0.061 0.000 0.944 616 K CB 0.108 32.620 32.500 0.019 0.000 1.012 616 K HN 0.482 nan 8.250 nan 0.000 0.472 617 I N 5.819 126.422 120.570 0.056 0.000 2.389 617 I HA 0.006 4.176 4.170 0.001 0.000 0.295 617 I C 1.360 177.444 176.117 -0.055 0.000 1.117 617 I CA 0.031 61.313 61.300 -0.030 0.000 1.317 617 I CB 0.660 38.642 38.000 -0.031 0.000 1.431 617 I HN 0.734 nan 8.210 nan 0.000 0.521 618 K N 4.562 124.908 120.400 -0.089 0.000 2.137 618 K HA -0.009 4.312 4.320 0.001 0.000 0.202 618 K C 0.477 177.029 176.600 -0.079 0.000 1.052 618 K CA 0.860 57.109 56.287 -0.064 0.000 0.961 618 K CB 0.394 32.865 32.500 -0.048 0.000 0.741 618 K HN 0.781 nan 8.250 nan 0.000 0.452 619 S N -0.926 114.700 115.700 -0.124 0.000 2.611 619 S HA 0.433 4.903 4.470 0.001 0.000 0.270 619 S C -1.073 173.430 174.600 -0.162 0.000 1.131 619 S CA -1.149 56.982 58.200 -0.115 0.000 0.826 619 S CB 1.022 64.164 63.200 -0.098 0.000 1.095 619 S HN 0.073 nan 8.310 nan 0.000 0.461 620 I N 1.394 121.877 120.570 -0.146 0.000 2.499 620 I HA 0.504 4.674 4.170 0.001 0.000 0.288 620 I C -1.537 174.446 176.117 -0.224 0.000 1.048 620 I CA -0.367 60.810 61.300 -0.204 0.000 1.062 620 I CB 2.087 39.972 38.000 -0.192 0.000 1.238 620 I HN 0.703 nan 8.210 nan 0.000 0.426 621 D N 4.965 125.212 120.400 -0.254 0.000 2.471 621 D HA 0.334 4.974 4.640 0.001 0.000 0.245 621 D C 0.384 176.515 176.300 -0.282 0.000 1.116 621 D CA -0.411 53.453 54.000 -0.226 0.000 0.853 621 D CB 1.990 42.690 40.800 -0.167 0.000 1.123 621 D HN 0.336 nan 8.370 nan 0.000 0.540 622 V N 1.302 121.041 119.914 -0.292 0.000 3.542 622 V HA 0.134 4.254 4.120 0.001 0.000 0.296 622 V C 1.490 177.417 176.094 -0.279 0.000 1.364 622 V CA 0.395 62.503 62.300 -0.320 0.000 1.118 622 V CB -0.177 31.465 31.823 -0.301 0.000 0.972 622 V HN 0.366 nan 8.190 nan 0.000 0.430 623 S N 1.747 117.319 115.700 -0.213 0.000 2.369 623 S HA -0.239 4.231 4.470 0.001 0.000 0.225 623 S C 1.824 176.296 174.600 -0.214 0.000 1.043 623 S CA 2.146 60.235 58.200 -0.186 0.000 1.074 623 S CB -0.432 62.687 63.200 -0.134 0.000 0.962 623 S HN 0.734 nan 8.310 nan 0.000 0.433 624 E N 1.552 121.639 120.200 -0.188 0.000 2.150 624 E HA 0.019 4.370 4.350 0.001 0.000 0.193 624 E C 2.386 178.857 176.600 -0.214 0.000 0.985 624 E CA 0.977 57.280 56.400 -0.163 0.000 0.814 624 E CB -0.512 29.120 29.700 -0.113 0.000 0.752 624 E HN 0.549 nan 8.360 nan 0.000 0.466 625 A N 1.307 123.958 122.820 -0.283 0.000 1.898 625 A HA -0.224 4.096 4.320 0.001 0.000 0.216 625 A C 2.135 179.223 177.584 -0.827 0.000 1.181 625 A CA 1.419 53.239 52.037 -0.362 0.000 0.620 625 A CB -0.572 18.279 19.000 -0.249 0.000 0.819 625 A HN 0.176 nan 8.150 nan 0.000 0.442 626 Q N -0.465 118.732 119.800 -1.005 0.000 2.268 626 Q HA -0.214 4.126 4.340 0.001 0.000 0.210 626 Q C 1.725 177.435 176.000 -0.482 0.000 0.988 626 Q CA 1.920 57.102 55.803 -1.035 0.000 0.883 626 Q CB -0.129 28.305 28.738 -0.507 0.000 0.911 626 Q HN 0.649 nan 8.270 nan 0.000 0.430 627 K N -0.561 119.652 120.400 -0.311 0.000 2.356 627 K HA 0.085 4.406 4.320 0.001 0.000 0.195 627 K C -0.052 176.486 176.600 -0.104 0.000 1.037 627 K CA -0.072 56.122 56.287 -0.155 0.000 1.014 627 K CB 0.654 33.083 32.500 -0.118 0.000 0.815 627 K HN -0.028 nan 8.250 nan 0.000 0.507 628 V N 4.363 124.216 119.914 -0.103 0.000 2.617 628 V HA -0.017 4.103 4.120 0.001 0.000 0.304 628 V C -2.197 173.853 176.094 -0.072 0.000 1.040 628 V CA -1.129 61.147 62.300 -0.040 0.000 1.149 628 V CB 0.062 31.910 31.823 0.043 0.000 0.914 628 V HN 0.106 nan 8.190 nan 0.000 0.487 629 P HA 0.219 nan 4.420 nan 0.000 0.265 629 P C 0.911 177.888 177.300 -0.537 0.000 1.193 629 P CA 1.258 64.168 63.100 -0.315 0.000 0.765 629 P CB 0.529 32.012 31.700 -0.361 0.000 0.823 630 G N 2.126 110.796 108.800 -0.217 0.000 2.176 630 G HA2 -0.289 3.671 3.960 0.001 0.000 0.253 630 G HA3 -0.289 3.671 3.960 0.001 0.000 0.253 630 G C 0.069 175.001 174.900 0.052 0.000 0.979 630 G CA -0.397 44.657 45.100 -0.077 0.000 0.641 630 G HN 0.558 nan 8.290 nan 0.000 0.530 631 F N 1.028 120.940 119.950 -0.063 0.000 2.572 631 F HA 0.420 4.947 4.527 0.001 0.000 0.370 631 F C 1.310 177.113 175.800 0.005 0.000 1.103 631 F CA 0.920 58.919 58.000 -0.002 0.000 1.286 631 F CB 1.018 40.014 39.000 -0.007 0.000 1.105 631 F HN -0.072 nan 8.300 nan 0.000 0.583 632 V N 4.086 123.574 119.914 -0.709 0.000 2.854 632 V HA 0.110 4.230 4.120 0.001 0.000 0.236 632 V C 0.263 175.979 176.094 -0.631 0.000 1.157 632 V CA 0.928 62.939 62.300 -0.482 0.000 1.187 632 V CB 0.327 31.964 31.823 -0.309 0.000 0.949 632 V HN 1.032 nan 8.190 nan 0.000 0.488 633 C N -1.659 117.071 119.300 -0.949 0.000 3.292 633 C HA 0.691 5.152 4.460 0.001 0.000 0.338 633 C C -1.263 173.576 174.990 -0.252 0.000 1.323 633 C CA -1.361 57.393 59.018 -0.441 0.000 1.232 633 C CB 0.808 28.454 27.740 -0.156 0.000 1.517 633 C HN 0.326 nan 8.230 nan 0.000 0.470 634 F N 1.345 121.295 119.950 -0.000 0.000 2.480 634 F HA 0.872 5.399 4.527 0.001 0.000 0.329 634 F C -0.954 174.801 175.800 -0.076 0.000 1.091 634 F CA -1.103 56.908 58.000 0.018 0.000 0.972 634 F CB 0.970 40.051 39.000 0.135 0.000 1.150 634 F HN 0.713 nan 8.300 nan 0.000 0.467 635 L N 5.236 125.809 121.223 -1.084 0.000 2.346 635 L HA 0.678 5.019 4.340 0.001 0.000 0.274 635 L C -0.442 175.541 176.870 -1.479 0.000 1.007 635 L CA -0.457 53.831 54.840 -0.920 0.000 0.818 635 L CB 2.009 43.742 42.059 -0.544 0.000 1.284 635 L HN 0.843 nan 8.230 nan 0.000 0.424 636 S N 0.721 115.896 115.700 -0.875 0.000 2.851 636 S HA 0.630 5.100 4.470 0.001 0.000 0.313 636 S C 0.760 175.246 174.600 -0.189 0.000 1.163 636 S CA -0.130 57.645 58.200 -0.708 0.000 0.850 636 S CB 1.252 64.291 63.200 -0.269 0.000 1.245 636 S HN 0.593 nan 8.310 nan 0.000 0.558 637 A N 0.824 123.667 122.820 0.038 0.000 1.958 637 A HA -0.155 4.166 4.320 0.001 0.000 0.221 637 A C 1.527 179.160 177.584 0.081 0.000 1.178 637 A CA 2.236 54.361 52.037 0.147 0.000 0.642 637 A CB -1.330 17.733 19.000 0.106 0.000 0.816 637 A HN 0.784 nan 8.150 nan 0.000 0.453 638 D N 0.039 120.461 120.400 0.037 0.000 2.310 638 D HA -0.079 4.562 4.640 0.001 0.000 0.212 638 D C 0.855 177.177 176.300 0.038 0.000 0.965 638 D CA 0.958 54.978 54.000 0.033 0.000 0.879 638 D CB -0.235 40.582 40.800 0.028 0.000 0.921 638 D HN 0.481 nan 8.370 nan 0.000 0.510 639 D N -0.097 120.325 120.400 0.036 0.000 2.349 639 D HA 0.048 4.688 4.640 0.001 0.000 0.215 639 D C 0.688 177.042 176.300 0.089 0.000 1.016 639 D CA -0.039 53.997 54.000 0.059 0.000 0.870 639 D CB 0.939 41.754 40.800 0.026 0.000 0.917 639 D HN 0.256 nan 8.370 nan 0.000 0.524 640 I N 3.372 123.984 120.570 0.071 0.000 2.452 640 I HA -0.004 4.167 4.170 0.001 0.000 0.287 640 I C -0.910 175.183 176.117 -0.039 0.000 1.079 640 I CA -1.139 60.168 61.300 0.011 0.000 1.387 640 I CB 1.320 39.329 38.000 0.016 0.000 1.404 640 I HN -0.172 nan 8.210 nan 0.000 0.522 641 P HA 0.022 nan 4.420 nan 0.000 0.224 641 P C 0.920 178.151 177.300 -0.115 0.000 1.157 641 P CA 0.731 63.749 63.100 -0.136 0.000 0.799 641 P CB 0.478 31.977 31.700 -0.334 0.000 0.809 642 G N -0.287 108.429 108.800 -0.140 0.000 2.766 642 G HA2 0.185 4.146 3.960 0.001 0.000 0.206 642 G HA3 0.185 4.146 3.960 0.001 0.000 0.206 642 G C -0.318 174.540 174.900 -0.069 0.000 2.072 642 G CA 0.098 45.141 45.100 -0.096 0.000 0.798 642 G HN 0.253 nan 8.290 nan 0.000 0.703 643 S N -0.088 115.566 115.700 -0.075 0.000 2.454 643 S HA 0.342 4.812 4.470 0.001 0.000 0.306 643 S C 0.247 174.801 174.600 -0.077 0.000 1.100 643 S CA -0.600 57.560 58.200 -0.066 0.000 1.087 643 S CB 1.413 64.571 63.200 -0.070 0.000 1.019 643 S HN 0.381 nan 8.310 nan 0.000 0.480 644 N N 2.987 121.654 118.700 -0.055 0.000 2.370 644 N HA 0.036 4.776 4.740 0.001 0.000 0.198 644 N C -0.132 175.332 175.510 -0.077 0.000 1.156 644 N CA 0.087 53.102 53.050 -0.057 0.000 0.839 644 N CB 0.249 38.731 38.487 -0.007 0.000 0.989 644 N HN 0.712 nan 8.380 nan 0.000 0.468 645 E N 0.077 120.219 120.200 -0.096 0.000 2.114 645 E HA 0.225 4.575 4.350 0.001 0.000 0.266 645 E C -1.029 175.448 176.600 -0.205 0.000 0.896 645 E CA -0.275 56.059 56.400 -0.109 0.000 0.750 645 E CB 0.836 30.495 29.700 -0.069 0.000 1.121 645 E HN 0.077 nan 8.360 nan 0.000 0.413 646 T N 2.205 116.599 114.554 -0.267 0.000 2.742 646 T HA 0.799 5.150 4.350 0.001 0.000 0.282 646 T C -0.510 173.900 174.700 -0.484 0.000 1.025 646 T CA 0.452 62.234 62.100 -0.530 0.000 1.020 646 T CB 1.353 69.926 68.868 -0.493 0.000 1.317 646 T HN 0.856 nan 8.240 nan 0.000 0.538 647 G N 0.597 108.963 108.800 -0.724 0.000 2.675 647 G HA2 -0.033 3.927 3.960 0.001 0.000 0.686 647 G HA3 -0.033 3.927 3.960 0.001 0.000 0.686 647 G C 0.164 175.025 174.900 -0.065 0.000 1.215 647 G CA -0.172 44.796 45.100 -0.220 0.000 0.777 647 G HN 0.938 nan 8.290 nan 0.000 0.638 648 L N 0.399 121.705 121.223 0.139 0.000 2.127 648 L HA 0.204 4.544 4.340 0.001 0.000 0.211 648 L C 2.134 178.753 176.870 -0.419 0.000 1.089 648 L CA 2.365 57.185 54.840 -0.033 0.000 0.757 648 L CB -0.449 41.548 42.059 -0.103 0.000 0.899 648 L HN 0.572 nan 8.230 nan 0.000 0.434 649 F N -1.072 118.907 119.950 0.047 0.000 2.653 649 F HA 0.247 4.774 4.527 0.001 0.000 0.304 649 F C 1.142 176.933 175.800 -0.014 0.000 1.092 649 F CA -0.323 57.684 58.000 0.013 0.000 1.279 649 F CB -0.061 38.932 39.000 -0.013 0.000 1.044 649 F HN 0.043 nan 8.300 nan 0.000 0.564 650 N N 1.161 119.882 118.700 0.036 0.000 2.782 650 N HA -0.187 4.553 4.740 0.001 0.000 0.251 650 N C 0.133 175.656 175.510 0.021 0.000 1.101 650 N CA 1.180 54.220 53.050 -0.017 0.000 0.764 650 N CB -1.088 37.391 38.487 -0.013 0.000 1.122 650 N HN 0.497 nan 8.380 nan 0.000 0.561 651 D N -0.428 120.005 120.400 0.055 0.000 2.340 651 D HA 0.072 4.712 4.640 0.001 0.000 0.217 651 D C 0.258 176.586 176.300 0.047 0.000 1.081 651 D CA 0.428 54.466 54.000 0.063 0.000 0.842 651 D CB 0.226 41.077 40.800 0.084 0.000 0.934 651 D HN 0.384 nan 8.370 nan 0.000 0.511 652 E N 0.125 120.331 120.200 0.009 0.000 2.244 652 E HA 0.406 4.757 4.350 0.001 0.000 0.266 652 E C -0.288 176.312 176.600 -0.000 0.000 0.914 652 E CA -0.830 55.581 56.400 0.018 0.000 0.794 652 E CB 1.675 31.369 29.700 -0.009 0.000 1.210 652 E HN 0.124 nan 8.360 nan 0.000 0.414 653 T N -1.696 112.894 114.554 0.059 0.000 2.922 653 T HA 0.200 4.550 4.350 0.001 0.000 0.285 653 T C 1.087 175.766 174.700 -0.035 0.000 1.005 653 T CA -0.825 61.290 62.100 0.023 0.000 1.061 653 T CB 1.259 70.171 68.868 0.074 0.000 1.007 653 T HN 0.160 nan 8.240 nan 0.000 0.502 654 V N 0.652 120.489 119.914 -0.128 0.000 2.283 654 V HA 0.153 4.273 4.120 0.001 0.000 0.243 654 V C 0.434 176.294 176.094 -0.389 0.000 1.039 654 V CA 1.079 63.196 62.300 -0.304 0.000 1.016 654 V CB -0.655 30.922 31.823 -0.409 0.000 0.650 654 V HN 0.848 nan 8.190 nan 0.000 0.449 655 F N -0.698 119.229 119.950 -0.038 0.000 2.507 655 F HA 0.706 5.233 4.527 0.001 0.000 0.325 655 F C 0.374 176.128 175.800 -0.075 0.000 1.116 655 F CA -0.918 57.047 58.000 -0.059 0.000 0.930 655 F CB 1.194 40.150 39.000 -0.074 0.000 1.146 655 F HN 0.015 nan 8.300 nan 0.000 0.447 656 A N 3.643 126.488 122.820 0.043 0.000 2.511 656 A HA 0.215 4.535 4.320 0.001 0.000 0.242 656 A C 0.696 178.284 177.584 0.007 0.000 1.069 656 A CA -0.049 51.926 52.037 -0.103 0.000 0.763 656 A CB 0.700 19.446 19.000 -0.424 0.000 1.001 656 A HN 1.017 nan 8.150 nan 0.000 0.498 657 K N 0.243 120.659 120.400 0.026 0.000 2.290 657 K HA 0.061 4.381 4.320 0.001 0.000 0.225 657 K C 0.484 177.106 176.600 0.037 0.000 1.060 657 K CA 0.692 57.004 56.287 0.041 0.000 0.903 657 K CB 0.206 32.735 32.500 0.048 0.000 1.158 657 K HN 0.715 nan 8.250 nan 0.000 0.460 658 D N -0.007 120.421 120.400 0.048 0.000 2.323 658 D HA -0.012 4.628 4.640 0.001 0.000 0.218 658 D C 0.375 176.714 176.300 0.065 0.000 0.973 658 D CA 0.784 54.812 54.000 0.046 0.000 0.890 658 D CB 0.642 41.470 40.800 0.046 0.000 1.011 658 D HN 0.379 nan 8.370 nan 0.000 0.499 659 T N -0.707 113.906 114.554 0.097 0.000 2.876 659 T HA 0.551 4.901 4.350 0.001 0.000 0.289 659 T C -0.179 174.645 174.700 0.207 0.000 1.014 659 T CA -0.914 61.276 62.100 0.150 0.000 0.986 659 T CB 2.394 71.365 68.868 0.172 0.000 1.021 659 T HN -0.102 nan 8.240 nan 0.000 0.458 660 V N 1.036 121.114 119.914 0.273 0.000 2.612 660 V HA 0.816 4.936 4.120 0.001 0.000 0.301 660 V C 0.716 177.081 176.094 0.452 0.000 1.046 660 V CA -0.128 62.428 62.300 0.427 0.000 0.946 660 V CB 1.131 33.172 31.823 0.363 0.000 1.003 660 V HN 1.197 nan 8.190 nan 0.000 0.459 661 T N -1.435 113.364 114.554 0.409 0.000 3.170 661 T HA 0.412 4.762 4.350 0.001 0.000 0.288 661 T C 0.169 174.836 174.700 -0.055 0.000 0.992 661 T CA 0.359 62.501 62.100 0.069 0.000 0.909 661 T CB -0.687 68.138 68.868 -0.072 0.000 1.133 661 T HN 1.735 nan 8.240 nan 0.000 0.530 662 C N -1.511 117.805 119.300 0.026 0.000 3.275 662 C HA 0.669 5.129 4.460 0.001 0.000 0.345 662 C C 1.231 176.268 174.990 0.079 0.000 1.257 662 C CA -0.654 58.363 59.018 -0.001 0.000 1.203 662 C CB 0.682 28.378 27.740 -0.072 0.000 1.492 662 C HN 0.025 nan 8.230 nan 0.000 0.484 663 V N 2.360 122.305 119.914 0.051 0.000 2.233 663 V HA -0.031 4.090 4.120 0.001 0.000 0.247 663 V C 2.696 178.859 176.094 0.115 0.000 1.050 663 V CA 3.016 65.357 62.300 0.068 0.000 1.010 663 V CB -1.125 30.725 31.823 0.045 0.000 0.637 663 V HN 1.306 nan 8.190 nan 0.000 0.444 664 G N -1.659 107.208 108.800 0.111 0.000 2.740 664 G HA2 -0.192 3.768 3.960 0.001 0.000 0.208 664 G HA3 -0.192 3.768 3.960 0.001 0.000 0.208 664 G C 0.533 175.552 174.900 0.198 0.000 1.148 664 G CA -0.049 45.132 45.100 0.135 0.000 0.795 664 G HN 0.682 nan 8.290 nan 0.000 0.526 665 H N 0.168 119.298 119.070 0.099 0.000 2.975 665 H HA 0.182 4.739 4.556 0.001 0.000 0.303 665 H C 0.311 175.722 175.328 0.140 0.000 1.023 665 H CA -0.855 55.259 56.048 0.109 0.000 1.473 665 H CB 0.385 30.216 29.762 0.116 0.000 1.498 665 H HN 0.014 nan 8.280 nan 0.000 0.549 666 I N 7.121 127.871 120.570 0.300 0.000 2.598 666 I HA -0.149 4.021 4.170 0.001 0.000 0.284 666 I C 0.921 177.124 176.117 0.143 0.000 1.140 666 I CA 0.459 61.885 61.300 0.211 0.000 1.420 666 I CB 0.738 38.861 38.000 0.205 0.000 1.387 666 I HN 0.715 nan 8.210 nan 0.000 0.553 667 I N 4.600 125.277 120.570 0.179 0.000 3.339 667 I HA 0.295 4.465 4.170 0.001 0.000 0.285 667 I C 1.109 177.275 176.117 0.081 0.000 1.201 667 I CA 0.243 61.618 61.300 0.124 0.000 1.434 667 I CB 0.329 38.406 38.000 0.128 0.000 1.152 667 I HN 0.772 nan 8.210 nan 0.000 0.443 668 G N 0.431 109.240 108.800 0.015 0.000 2.321 668 G HA2 0.681 4.642 3.960 0.001 0.000 0.296 668 G HA3 0.681 4.642 3.960 0.001 0.000 0.296 668 G C -2.109 172.585 174.900 -0.343 0.000 1.287 668 G CA 0.084 44.723 45.100 -0.768 0.000 0.846 668 G HN 0.209 nan 8.290 nan 0.000 0.508 669 A N -1.319 121.133 122.820 -0.614 0.000 2.566 669 A HA 0.759 5.080 4.320 0.001 0.000 0.297 669 A C -1.337 176.201 177.584 -0.078 0.000 1.059 669 A CA -0.395 51.573 52.037 -0.116 0.000 0.691 669 A CB 1.728 20.770 19.000 0.069 0.000 1.282 669 A HN 1.647 nan 8.150 nan 0.000 0.401 670 V N 1.652 121.651 119.914 0.142 0.000 2.472 670 V HA 0.544 4.665 4.120 0.001 0.000 0.290 670 V C -0.328 175.802 176.094 0.060 0.000 1.037 670 V CA -0.376 62.034 62.300 0.184 0.000 0.908 670 V CB 1.652 33.662 31.823 0.311 0.000 0.985 670 V HN 0.708 nan 8.190 nan 0.000 0.454 671 V N 4.541 124.410 119.914 -0.076 0.000 2.448 671 V HA 0.898 5.018 4.120 0.001 0.000 0.295 671 V C 0.224 176.235 176.094 -0.139 0.000 1.025 671 V CA -0.120 62.132 62.300 -0.079 0.000 0.859 671 V CB 1.319 33.066 31.823 -0.125 0.000 0.988 671 V HN 1.058 nan 8.190 nan 0.000 0.431 672 A N 3.209 126.044 122.820 0.027 0.000 2.552 672 A HA 0.716 5.036 4.320 0.001 0.000 0.288 672 A C 0.472 178.172 177.584 0.193 0.000 1.193 672 A CA -0.077 52.002 52.037 0.069 0.000 0.713 672 A CB 1.425 20.521 19.000 0.159 0.000 1.305 672 A HN 0.735 nan 8.150 nan 0.000 0.424 673 D N -0.524 120.002 120.400 0.210 0.000 2.323 673 D HA 0.051 4.691 4.640 0.001 0.000 0.209 673 D C 0.655 177.131 176.300 0.294 0.000 0.973 673 D CA 1.550 55.709 54.000 0.265 0.000 0.874 673 D CB -0.205 40.713 40.800 0.196 0.000 0.930 673 D HN 0.676 nan 8.370 nan 0.000 0.521 674 T N -4.670 109.948 114.554 0.107 0.000 2.883 674 T HA 0.472 4.823 4.350 0.001 0.000 0.296 674 T C -2.471 171.943 174.700 -0.477 0.000 1.117 674 T CA -1.676 60.185 62.100 -0.399 0.000 1.006 674 T CB 2.485 71.111 68.868 -0.405 0.000 1.191 674 T HN -0.383 nan 8.240 nan 0.000 0.508 675 P HA 0.055 nan 4.420 nan 0.000 0.221 675 P C 0.983 178.182 177.300 -0.168 0.000 1.150 675 P CA 0.887 63.767 63.100 -0.366 0.000 0.800 675 P CB 0.156 31.639 31.700 -0.362 0.000 0.787 676 E N -1.235 118.818 120.200 -0.245 0.000 2.028 676 E HA -0.185 4.165 4.350 0.001 0.000 0.191 676 E C 2.129 178.696 176.600 -0.056 0.000 0.988 676 E CA 1.126 57.425 56.400 -0.169 0.000 0.799 676 E CB -0.971 28.575 29.700 -0.257 0.000 0.755 676 E HN 0.352 nan 8.360 nan 0.000 0.447 677 H N 0.043 119.106 119.070 -0.013 0.000 2.387 677 H HA -0.010 4.547 4.556 0.001 0.000 0.299 677 H C 1.963 177.345 175.328 0.091 0.000 1.099 677 H CA 1.440 57.516 56.048 0.046 0.000 1.315 677 H CB -0.592 29.202 29.762 0.055 0.000 1.380 677 H HN 0.239 nan 8.280 nan 0.000 0.513 678 A N 0.736 123.674 122.820 0.197 0.000 1.969 678 A HA -0.177 4.144 4.320 0.001 0.000 0.218 678 A C 2.416 180.104 177.584 0.173 0.000 1.169 678 A CA 1.630 53.780 52.037 0.189 0.000 0.635 678 A CB -0.324 18.780 19.000 0.173 0.000 0.810 678 A HN 0.542 nan 8.150 nan 0.000 0.445 679 E N -0.220 120.056 120.200 0.127 0.000 2.028 679 E HA -0.193 4.157 4.350 0.001 0.000 0.191 679 E C 2.255 178.943 176.600 0.148 0.000 0.988 679 E CA 0.920 57.391 56.400 0.119 0.000 0.799 679 E CB -0.165 29.575 29.700 0.065 0.000 0.755 679 E HN 0.548 nan 8.360 nan 0.000 0.447 680 R N -0.141 120.443 120.500 0.141 0.000 2.103 680 R HA -0.169 4.171 4.340 0.001 0.000 0.242 680 R C 2.312 178.722 176.300 0.184 0.000 1.142 680 R CA 1.370 57.562 56.100 0.153 0.000 0.960 680 R CB -0.263 30.127 30.300 0.150 0.000 0.858 680 R HN 0.229 nan 8.270 nan 0.000 0.439 681 A N 0.486 123.423 122.820 0.196 0.000 1.930 681 A HA 0.063 4.383 4.320 0.001 0.000 0.215 681 A C 2.271 179.967 177.584 0.187 0.000 1.176 681 A CA 1.116 53.271 52.037 0.196 0.000 0.632 681 A CB -0.356 18.841 19.000 0.328 0.000 0.819 681 A HN 0.373 nan 8.150 nan 0.000 0.445 682 A N -0.588 122.359 122.820 0.212 0.000 1.933 682 A HA -0.208 4.112 4.320 0.001 0.000 0.218 682 A C 1.986 179.663 177.584 0.155 0.000 1.175 682 A CA 2.091 54.246 52.037 0.196 0.000 0.628 682 A CB -0.842 18.279 19.000 0.201 0.000 0.814 682 A HN 0.785 nan 8.150 nan 0.000 0.444 683 H N -0.886 118.237 119.070 0.088 0.000 2.462 683 H HA 0.062 4.619 4.556 0.001 0.000 0.292 683 H C 1.346 176.698 175.328 0.040 0.000 1.049 683 H CA 1.509 57.597 56.048 0.066 0.000 1.334 683 H CB 0.066 29.865 29.762 0.062 0.000 1.404 683 H HN 0.149 nan 8.280 nan 0.000 0.544 684 V N 0.438 120.322 119.914 -0.050 0.000 3.541 684 V HA 0.006 4.127 4.120 0.001 0.000 0.267 684 V C 0.546 176.552 176.094 -0.146 0.000 1.213 684 V CA 0.303 62.535 62.300 -0.113 0.000 1.149 684 V CB 0.137 31.943 31.823 -0.029 0.000 0.822 684 V HN 0.136 nan 8.190 nan 0.000 0.462 685 V N 2.381 122.216 119.914 -0.132 0.000 2.409 685 V HA 0.053 4.174 4.120 0.001 0.000 0.270 685 V C 0.506 176.493 176.094 -0.179 0.000 1.019 685 V CA -0.065 62.121 62.300 -0.189 0.000 1.066 685 V CB 0.038 31.742 31.823 -0.199 0.000 1.021 685 V HN 0.354 nan 8.190 nan 0.000 0.476 686 K N 4.295 124.584 120.400 -0.185 0.000 2.339 686 K HA 0.396 4.716 4.320 0.001 0.000 0.286 686 K C -0.551 175.936 176.600 -0.189 0.000 1.050 686 K CA 0.091 56.285 56.287 -0.154 0.000 0.956 686 K CB 1.100 33.521 32.500 -0.131 0.000 0.990 686 K HN 0.480 nan 8.250 nan 0.000 0.475 687 V N 3.309 123.111 119.914 -0.188 0.000 2.448 687 V HA 0.344 4.465 4.120 0.001 0.000 0.295 687 V C -0.339 175.470 176.094 -0.475 0.000 1.025 687 V CA -0.932 61.147 62.300 -0.368 0.000 0.859 687 V CB 1.893 33.444 31.823 -0.452 0.000 0.988 687 V HN 0.778 nan 8.190 nan 0.000 0.431 688 T N 4.711 119.004 114.554 -0.435 0.000 2.767 688 T HA 0.660 5.010 4.350 0.001 0.000 0.288 688 T C -0.841 173.641 174.700 -0.364 0.000 0.963 688 T CA -0.204 61.721 62.100 -0.291 0.000 1.019 688 T CB 0.478 69.262 68.868 -0.141 0.000 0.923 688 T HN 0.445 nan 8.240 nan 0.000 0.468 689 Y N 0.920 121.216 120.300 -0.007 0.000 2.468 689 Y HA 0.487 5.037 4.550 0.001 0.000 0.342 689 Y C 0.496 176.391 175.900 -0.008 0.000 1.021 689 Y CA -1.137 56.962 58.100 -0.002 0.000 1.079 689 Y CB 1.785 40.250 38.460 0.008 0.000 1.226 689 Y HN 0.608 nan 8.280 nan 0.000 0.460 690 E N 2.762 123.056 120.200 0.155 0.000 2.145 690 E HA 0.185 4.535 4.350 0.001 0.000 0.262 690 E C -1.359 175.266 176.600 0.042 0.000 0.883 690 E CA -0.805 55.640 56.400 0.075 0.000 0.748 690 E CB 0.712 30.431 29.700 0.031 0.000 1.140 690 E HN 0.599 nan 8.360 nan 0.000 0.417 691 D N 3.703 124.116 120.400 0.022 0.000 2.423 691 D HA 0.176 4.816 4.640 0.001 0.000 0.238 691 D C -0.067 176.190 176.300 -0.072 0.000 1.142 691 D CA 0.495 54.482 54.000 -0.021 0.000 0.884 691 D CB 0.918 41.707 40.800 -0.018 0.000 1.199 691 D HN 0.428 nan 8.370 nan 0.000 0.438 692 L N 2.211 123.351 121.223 -0.138 0.000 2.354 692 L HA 0.360 4.700 4.340 0.001 0.000 0.264 692 L C -2.231 174.582 176.870 -0.095 0.000 1.008 692 L CA -2.078 52.630 54.840 -0.221 0.000 0.819 692 L CB 2.031 43.723 42.059 -0.611 0.000 1.339 692 L HN 0.108 nan 8.230 nan 0.000 0.420 693 P HA 0.065 nan 4.420 nan 0.000 0.263 693 P C -1.176 176.207 177.300 0.140 0.000 1.175 693 P CA 0.022 63.145 63.100 0.039 0.000 0.761 693 P CB 0.513 32.232 31.700 0.031 0.000 0.794 694 A N 3.651 126.518 122.820 0.078 0.000 2.343 694 A HA 0.642 4.963 4.320 0.001 0.000 0.316 694 A C -0.510 177.065 177.584 -0.015 0.000 1.104 694 A CA -0.718 51.359 52.037 0.067 0.000 0.768 694 A CB 0.607 19.637 19.000 0.049 0.000 1.213 694 A HN 0.458 nan 8.150 nan 0.000 0.456 695 I N 3.626 124.158 120.570 -0.063 0.000 2.328 695 I HA 0.302 4.472 4.170 0.001 0.000 0.287 695 I C 0.247 176.296 176.117 -0.114 0.000 1.012 695 I CA 0.122 61.363 61.300 -0.100 0.000 1.195 695 I CB 1.170 39.086 38.000 -0.140 0.000 1.350 695 I HN 0.726 nan 8.210 nan 0.000 0.464 696 I N 3.138 123.645 120.570 -0.105 0.000 3.136 696 I HA 0.024 4.194 4.170 0.001 0.000 0.262 696 I C 1.308 177.353 176.117 -0.120 0.000 1.132 696 I CA 0.555 61.778 61.300 -0.127 0.000 1.450 696 I CB 0.455 38.378 38.000 -0.129 0.000 1.315 696 I HN 0.616 nan 8.210 nan 0.000 0.460 697 T N -1.514 112.986 114.554 -0.090 0.000 2.847 697 T HA 0.352 4.702 4.350 0.001 0.000 0.279 697 T C 1.287 175.961 174.700 -0.043 0.000 0.984 697 T CA -0.459 61.607 62.100 -0.058 0.000 0.988 697 T CB 1.355 70.188 68.868 -0.057 0.000 1.040 697 T HN 0.048 nan 8.240 nan 0.000 0.528 698 I N 0.696 121.273 120.570 0.012 0.000 2.163 698 I HA -0.182 3.988 4.170 0.001 0.000 0.243 698 I C 2.587 178.664 176.117 -0.066 0.000 1.085 698 I CA 1.552 62.862 61.300 0.017 0.000 1.347 698 I CB -0.418 37.654 38.000 0.120 0.000 1.044 698 I HN 0.714 nan 8.210 nan 0.000 0.408 699 E N 0.870 121.027 120.200 -0.071 0.000 2.097 699 E HA -0.251 4.099 4.350 0.001 0.000 0.196 699 E C 1.746 178.287 176.600 -0.098 0.000 1.000 699 E CA 1.473 57.817 56.400 -0.094 0.000 0.804 699 E CB -0.376 29.279 29.700 -0.073 0.000 0.740 699 E HN 0.451 nan 8.360 nan 0.000 0.454 700 D N -0.146 120.198 120.400 -0.093 0.000 2.144 700 D HA -0.074 4.566 4.640 0.001 0.000 0.200 700 D C 1.843 178.052 176.300 -0.151 0.000 0.978 700 D CA 1.442 55.380 54.000 -0.104 0.000 0.833 700 D CB -0.349 40.395 40.800 -0.093 0.000 0.961 700 D HN 0.225 nan 8.370 nan 0.000 0.470 701 A N 0.612 123.325 122.820 -0.180 0.000 1.902 701 A HA -0.130 4.190 4.320 0.001 0.000 0.217 701 A C 2.340 179.685 177.584 -0.398 0.000 1.181 701 A CA 0.887 52.741 52.037 -0.306 0.000 0.623 701 A CB -0.655 18.187 19.000 -0.264 0.000 0.818 701 A HN 0.158 nan 8.150 nan 0.000 0.443 702 I N -0.221 120.221 120.570 -0.213 0.000 2.090 702 I HA -0.294 3.876 4.170 0.001 0.000 0.236 702 I C 2.481 178.555 176.117 -0.071 0.000 1.064 702 I CA 1.966 63.220 61.300 -0.077 0.000 1.324 702 I CB -0.319 37.622 38.000 -0.099 0.000 1.044 702 I HN 0.433 nan 8.210 nan 0.000 0.399 703 K N 1.083 121.435 120.400 -0.080 0.000 2.189 703 K HA -0.252 4.069 4.320 0.001 0.000 0.207 703 K C 1.309 177.868 176.600 -0.069 0.000 1.046 703 K CA 2.174 58.425 56.287 -0.059 0.000 0.928 703 K CB -0.280 32.185 32.500 -0.059 0.000 0.720 703 K HN 0.439 nan 8.250 nan 0.000 0.458 704 N N 0.698 119.322 118.700 -0.126 0.000 2.230 704 N HA -0.051 4.690 4.740 0.001 0.000 0.202 704 N C -0.564 174.844 175.510 -0.170 0.000 1.119 704 N CA 0.236 53.207 53.050 -0.132 0.000 0.851 704 N CB 0.107 38.507 38.487 -0.145 0.000 0.990 704 N HN 0.291 nan 8.380 nan 0.000 0.497 705 N N 1.312 119.899 118.700 -0.189 0.000 2.686 705 N HA -0.208 4.532 4.740 0.001 0.000 0.261 705 N C -1.095 174.163 175.510 -0.421 0.000 1.001 705 N CA 0.319 53.271 53.050 -0.163 0.000 0.764 705 N CB -0.878 37.668 38.487 0.098 0.000 0.898 705 N HN 0.027 nan 8.380 nan 0.000 0.544 706 S N 1.699 116.868 115.700 -0.885 0.000 2.475 706 S HA 0.607 5.077 4.470 0.001 0.000 0.249 706 S C -0.826 173.259 174.600 -0.857 0.000 1.298 706 S CA -0.624 57.176 58.200 -0.666 0.000 1.125 706 S CB -0.215 62.710 63.200 -0.458 0.000 1.054 706 S HN 0.333 nan 8.310 nan 0.000 0.484 707 F N 2.227 122.072 119.950 -0.174 0.000 2.593 707 F HA 0.494 5.022 4.527 0.001 0.000 0.320 707 F C -0.683 174.960 175.800 -0.262 0.000 1.060 707 F CA -1.257 56.640 58.000 -0.171 0.000 0.940 707 F CB 1.353 40.326 39.000 -0.045 0.000 1.268 707 F HN 0.309 nan 8.300 nan 0.000 0.475 708 Y N 1.251 121.665 120.300 0.190 0.000 2.367 708 Y HA 0.508 5.058 4.550 0.001 0.000 0.342 708 Y C 0.781 176.709 175.900 0.047 0.000 0.979 708 Y CA -0.155 57.989 58.100 0.073 0.000 1.161 708 Y CB 0.856 39.329 38.460 0.021 0.000 1.155 708 Y HN 0.884 nan 8.280 nan 0.000 0.503 709 G N 1.970 110.864 108.800 0.156 0.000 2.750 709 G HA2 -0.154 3.806 3.960 0.001 0.000 0.228 709 G HA3 -0.154 3.806 3.960 0.001 0.000 0.228 709 G C -0.231 174.686 174.900 0.028 0.000 1.367 709 G CA -0.362 44.772 45.100 0.057 0.000 0.871 709 G HN 0.948 nan 8.290 nan 0.000 0.560 710 S N -1.180 114.508 115.700 -0.020 0.000 2.768 710 S HA 0.699 5.169 4.470 0.001 0.000 0.300 710 S C 0.159 174.697 174.600 -0.104 0.000 1.122 710 S CA 0.297 58.455 58.200 -0.070 0.000 0.995 710 S CB 1.921 65.090 63.200 -0.052 0.000 1.195 710 S HN 1.097 nan 8.310 nan 0.000 0.547 711 E N 0.001 120.117 120.200 -0.139 0.000 2.376 711 E HA 0.220 4.570 4.350 0.001 0.000 0.266 711 E C -1.014 175.503 176.600 -0.138 0.000 1.009 711 E CA -0.210 56.089 56.400 -0.167 0.000 0.902 711 E CB 0.298 29.905 29.700 -0.155 0.000 0.972 711 E HN 0.486 nan 8.360 nan 0.000 0.439 712 L N 4.352 125.467 121.223 -0.179 0.000 2.379 712 L HA 0.468 4.808 4.340 0.001 0.000 0.269 712 L C 0.107 176.926 176.870 -0.085 0.000 1.084 712 L CA -0.241 54.472 54.840 -0.213 0.000 0.802 712 L CB 1.131 42.968 42.059 -0.370 0.000 1.175 712 L HN 0.496 nan 8.230 nan 0.000 0.448 713 K N 2.830 123.254 120.400 0.040 0.000 2.557 713 K HA 0.566 4.886 4.320 0.001 0.000 0.257 713 K C -1.808 174.963 176.600 0.286 0.000 0.933 713 K CA -0.478 55.892 56.287 0.139 0.000 0.820 713 K CB 1.795 34.350 32.500 0.092 0.000 1.330 713 K HN 0.454 nan 8.250 nan 0.000 0.432 714 I N 2.598 123.311 120.570 0.238 0.000 2.436 714 I HA 0.370 4.540 4.170 0.001 0.000 0.289 714 I C -0.830 175.415 176.117 0.213 0.000 1.010 714 I CA -0.609 60.842 61.300 0.251 0.000 1.098 714 I CB 2.065 40.242 38.000 0.294 0.000 1.266 714 I HN 0.594 nan 8.210 nan 0.000 0.434 715 E N 6.866 127.175 120.200 0.181 0.000 2.278 715 E HA 0.441 4.791 4.350 0.001 0.000 0.272 715 E C -1.580 175.090 176.600 0.117 0.000 0.890 715 E CA -0.778 55.702 56.400 0.134 0.000 0.770 715 E CB 2.384 32.145 29.700 0.101 0.000 1.212 715 E HN 0.568 nan 8.360 nan 0.000 0.415 716 K N 3.171 123.631 120.400 0.101 0.000 2.477 716 K HA 0.702 5.023 4.320 0.001 0.000 0.255 716 K C 0.082 176.704 176.600 0.036 0.000 0.952 716 K CA 0.234 56.565 56.287 0.074 0.000 0.826 716 K CB 1.688 34.244 32.500 0.092 0.000 1.331 716 K HN 0.699 nan 8.250 nan 0.000 0.437 717 G N 1.935 110.746 108.800 0.017 0.000 2.562 717 G HA2 -0.229 3.731 3.960 0.001 0.000 0.250 717 G HA3 -0.229 3.731 3.960 0.001 0.000 0.250 717 G C -1.218 173.676 174.900 -0.010 0.000 1.269 717 G CA 0.135 45.230 45.100 -0.007 0.000 0.919 717 G HN 0.729 nan 8.290 nan 0.000 0.574 718 D N 0.306 120.687 120.400 -0.031 0.000 2.542 718 D HA 0.431 5.071 4.640 0.001 0.000 0.252 718 D C 1.598 177.871 176.300 -0.046 0.000 1.222 718 D CA -0.571 53.415 54.000 -0.024 0.000 0.895 718 D CB 1.184 41.974 40.800 -0.017 0.000 1.207 718 D HN 0.280 nan 8.370 nan 0.000 0.558 719 L N 2.838 124.052 121.223 -0.014 0.000 1.948 719 L HA -0.076 4.265 4.340 0.001 0.000 0.212 719 L C 1.351 178.264 176.870 0.072 0.000 1.074 719 L CA 1.224 56.060 54.840 -0.006 0.000 0.753 719 L CB -0.258 41.866 42.059 0.108 0.000 0.888 719 L HN 0.349 nan 8.230 nan 0.000 0.432 720 K N 0.571 121.051 120.400 0.133 0.000 2.395 720 K HA -0.089 4.231 4.320 0.001 0.000 0.283 720 K C 0.569 177.205 176.600 0.059 0.000 1.068 720 K CA 0.927 57.296 56.287 0.136 0.000 1.039 720 K CB 0.310 32.863 32.500 0.089 0.000 0.924 720 K HN 0.309 nan 8.250 nan 0.000 0.468 721 K N 1.841 122.271 120.400 0.050 0.000 2.192 721 K HA -0.128 4.193 4.320 0.001 0.000 0.424 721 K C 1.224 177.798 176.600 -0.044 0.000 0.424 721 K CA 0.821 57.108 56.287 0.000 0.000 1.856 721 K CB -1.671 30.822 32.500 -0.012 0.000 0.653 721 K HN 0.583 nan 8.250 nan 0.000 0.401 722 G N 0.751 109.481 108.800 -0.117 0.000 2.453 722 G HA2 -0.095 3.865 3.960 0.001 0.000 0.215 722 G HA3 -0.095 3.865 3.960 0.001 0.000 0.215 722 G C 1.241 176.022 174.900 -0.197 0.000 1.201 722 G CA 1.146 46.110 45.100 -0.226 0.000 0.784 722 G HN 0.242 nan 8.290 nan 0.000 0.545 723 F N 1.475 121.395 119.950 -0.049 0.000 2.161 723 F HA -0.106 4.421 4.527 0.001 0.000 0.300 723 F C 3.176 178.941 175.800 -0.058 0.000 1.089 723 F CA 1.014 58.979 58.000 -0.059 0.000 1.282 723 F CB -0.042 38.927 39.000 -0.052 0.000 1.010 723 F HN 0.082 nan 8.300 nan 0.000 0.485 724 S N -0.166 115.605 115.700 0.118 0.000 2.359 724 S HA -0.281 4.189 4.470 0.001 0.000 0.224 724 S C 1.887 176.495 174.600 0.013 0.000 1.035 724 S CA 1.739 59.967 58.200 0.047 0.000 1.018 724 S CB -0.394 62.822 63.200 0.026 0.000 0.876 724 S HN 0.372 nan 8.310 nan 0.000 0.448 725 E N 1.841 122.035 120.200 -0.010 0.000 2.204 725 E HA 0.064 4.414 4.350 0.001 0.000 0.195 725 E C 0.564 177.139 176.600 -0.040 0.000 0.990 725 E CA 0.661 57.043 56.400 -0.031 0.000 0.821 725 E CB -0.265 29.406 29.700 -0.049 0.000 0.750 725 E HN 0.451 nan 8.360 nan 0.000 0.477 726 A N 0.833 123.632 122.820 -0.036 0.000 2.477 726 A HA 0.065 4.385 4.320 0.001 0.000 0.246 726 A C 0.593 178.113 177.584 -0.107 0.000 1.078 726 A CA 0.023 52.016 52.037 -0.074 0.000 0.770 726 A CB 0.326 19.300 19.000 -0.043 0.000 1.011 726 A HN 0.182 nan 8.150 nan 0.000 0.494 727 D N 0.917 121.223 120.400 -0.157 0.000 2.084 727 D HA -0.040 4.600 4.640 0.001 0.000 0.196 727 D C 0.196 176.345 176.300 -0.251 0.000 0.985 727 D CA 1.431 55.332 54.000 -0.165 0.000 0.826 727 D CB 0.058 40.776 40.800 -0.137 0.000 0.978 727 D HN 0.662 nan 8.370 nan 0.000 0.456 728 N N -0.178 118.210 118.700 -0.519 0.000 2.272 728 N HA 0.367 5.107 4.740 0.001 0.000 0.305 728 N C -1.089 173.982 175.510 -0.731 0.000 1.103 728 N CA -0.429 52.238 53.050 -0.639 0.000 0.791 728 N CB 3.265 41.254 38.487 -0.829 0.000 1.356 728 N HN -0.244 nan 8.380 nan 0.000 0.486 729 V N 1.751 121.484 119.914 -0.302 0.000 2.419 729 V HA 0.266 4.386 4.120 0.001 0.000 0.287 729 V C -0.192 175.946 176.094 0.074 0.000 1.017 729 V CA -0.724 61.538 62.300 -0.064 0.000 0.844 729 V CB 1.711 33.497 31.823 -0.062 0.000 1.011 729 V HN 0.357 nan 8.190 nan 0.000 0.429 730 V N 4.567 124.658 119.914 0.295 0.000 2.472 730 V HA 0.789 4.910 4.120 0.001 0.000 0.290 730 V C 0.268 176.451 176.094 0.148 0.000 1.037 730 V CA -0.114 62.339 62.300 0.255 0.000 0.908 730 V CB 2.006 34.057 31.823 0.380 0.000 0.985 730 V HN 1.000 nan 8.190 nan 0.000 0.454 731 S N 2.783 118.478 115.700 -0.010 0.000 2.564 731 S HA 1.005 5.475 4.470 0.001 0.000 0.274 731 S C -0.396 173.949 174.600 -0.425 0.000 1.124 731 S CA -0.005 58.051 58.200 -0.240 0.000 0.869 731 S CB 2.354 65.438 63.200 -0.193 0.000 1.105 731 S HN 1.432 nan 8.310 nan 0.000 0.472 732 G N 0.346 108.606 108.800 -0.900 0.000 2.428 732 G HA2 0.530 4.491 3.960 0.001 0.000 0.305 732 G HA3 0.530 4.491 3.960 0.001 0.000 0.305 732 G C -2.082 172.490 174.900 -0.547 0.000 1.260 732 G CA -0.537 44.172 45.100 -0.652 0.000 0.853 732 G HN 0.969 nan 8.290 nan 0.000 0.480 733 E N -1.030 119.136 120.200 -0.058 0.000 2.314 733 E HA 0.655 5.005 4.350 0.001 0.000 0.272 733 E C -1.994 174.818 176.600 0.353 0.000 0.884 733 E CA -0.722 55.788 56.400 0.182 0.000 0.753 733 E CB 2.488 32.255 29.700 0.112 0.000 1.213 733 E HN 0.492 nan 8.360 nan 0.000 0.432 734 L N 3.961 125.434 121.223 0.416 0.000 2.371 734 L HA 0.592 4.933 4.340 0.001 0.000 0.262 734 L C -1.952 175.184 176.870 0.442 0.000 1.006 734 L CA -0.716 54.366 54.840 0.403 0.000 0.818 734 L CB 1.903 44.175 42.059 0.354 0.000 1.354 734 L HN 0.676 nan 8.230 nan 0.000 0.415 735 Y N 4.047 124.522 120.300 0.290 0.000 2.425 735 Y HA 0.689 5.240 4.550 0.001 0.000 0.344 735 Y C -1.219 174.836 175.900 0.259 0.000 0.969 735 Y CA -0.903 57.356 58.100 0.266 0.000 1.052 735 Y CB 1.759 40.339 38.460 0.201 0.000 1.215 735 Y HN 0.590 nan 8.280 nan 0.000 0.451 736 I N 5.731 126.120 120.570 -0.302 0.000 2.439 736 I HA 0.671 4.842 4.170 0.001 0.000 0.285 736 I C 0.077 175.832 176.117 -0.604 0.000 1.021 736 I CA -0.502 60.588 61.300 -0.351 0.000 1.091 736 I CB 0.958 38.782 38.000 -0.293 0.000 1.242 736 I HN 0.833 nan 8.210 nan 0.000 0.439 737 G N 4.718 113.297 108.800 -0.369 0.000 2.559 737 G HA2 0.351 4.312 3.960 0.001 0.000 0.235 737 G HA3 0.351 4.312 3.960 0.001 0.000 0.235 737 G C 0.554 175.360 174.900 -0.157 0.000 1.266 737 G CA 0.144 45.161 45.100 -0.138 0.000 0.847 737 G HN 0.939 nan 8.290 nan 0.000 0.583 738 G N -0.779 108.005 108.800 -0.027 0.000 2.441 738 G HA2 0.443 4.403 3.960 0.001 0.000 0.258 738 G HA3 0.443 4.403 3.960 0.001 0.000 0.258 738 G C 0.035 174.888 174.900 -0.079 0.000 1.487 738 G CA 0.198 45.278 45.100 -0.035 0.000 1.058 738 G HN 0.811 nan 8.290 nan 0.000 0.552 739 Q N -1.637 118.138 119.800 -0.041 0.000 2.574 739 Q HA 0.247 4.587 4.340 0.001 0.000 0.265 739 Q C -2.281 173.794 176.000 0.126 0.000 0.975 739 Q CA -0.627 55.161 55.803 -0.025 0.000 0.923 739 Q CB 2.016 30.502 28.738 -0.419 0.000 1.518 739 Q HN 0.610 nan 8.270 nan 0.000 0.401 740 D N -0.141 120.359 120.400 0.167 0.000 2.175 740 D HA 0.263 4.903 4.640 0.001 0.000 0.248 740 D C 0.515 176.925 176.300 0.184 0.000 1.047 740 D CA -0.066 53.947 54.000 0.022 0.000 0.883 740 D CB 0.957 41.512 40.800 -0.408 0.000 1.180 740 D HN 0.588 nan 8.370 nan 0.000 0.438 741 H N 2.738 121.753 119.070 -0.090 0.000 2.352 741 H HA -0.033 4.524 4.556 0.001 0.000 0.299 741 H C 0.516 175.699 175.328 -0.241 0.000 1.097 741 H CA 1.277 57.029 56.048 -0.492 0.000 1.311 741 H CB -0.206 29.043 29.762 -0.855 0.000 1.377 741 H HN 0.514 nan 8.280 nan 0.000 0.504 742 F N 0.287 120.005 119.950 -0.386 0.000 3.079 742 F HA -0.274 4.254 4.527 0.001 0.000 0.274 742 F C -0.684 175.075 175.800 -0.069 0.000 0.940 742 F CA -0.374 57.502 58.000 -0.208 0.000 0.932 742 F CB -1.774 37.235 39.000 0.014 0.000 0.891 742 F HN 0.161 nan 8.300 nan 0.000 0.722 743 Y N -0.539 119.909 120.300 0.248 0.000 2.721 743 Y HA 0.142 4.692 4.550 0.001 0.000 0.329 743 Y C 1.099 177.031 175.900 0.052 0.000 1.211 743 Y CA -1.238 57.020 58.100 0.263 0.000 1.512 743 Y CB -0.077 38.437 38.460 0.090 0.000 1.249 743 Y HN 0.093 nan 8.280 nan 0.000 0.549 744 L N 1.503 122.898 121.223 0.287 0.000 2.129 744 L HA -0.163 4.178 4.340 0.001 0.000 0.212 744 L C 1.139 178.029 176.870 0.035 0.000 1.087 744 L CA 1.600 56.521 54.840 0.135 0.000 0.757 744 L CB -0.718 41.417 42.059 0.126 0.000 0.896 744 L HN 0.880 nan 8.230 nan 0.000 0.434 745 E N 0.400 120.606 120.200 0.011 0.000 2.146 745 E HA 0.169 4.519 4.350 0.001 0.000 0.282 745 E C 0.063 176.593 176.600 -0.117 0.000 0.989 745 E CA -0.281 56.066 56.400 -0.088 0.000 0.799 745 E CB 1.006 30.606 29.700 -0.167 0.000 1.088 745 E HN 0.272 nan 8.360 nan 0.000 0.397 746 T N 1.486 115.994 114.554 -0.077 0.000 2.689 746 T HA 0.117 4.468 4.350 0.001 0.000 0.308 746 T C 0.639 175.184 174.700 -0.258 0.000 1.021 746 T CA -0.540 61.509 62.100 -0.084 0.000 0.973 746 T CB 0.399 69.300 68.868 0.055 0.000 1.113 746 T HN 0.446 nan 8.240 nan 0.000 0.522 747 H N -1.187 117.773 119.070 -0.182 0.000 2.790 747 H HA 0.385 4.941 4.556 0.001 0.000 0.358 747 H C -0.258 175.030 175.328 -0.067 0.000 1.103 747 H CA 0.064 56.013 56.048 -0.164 0.000 1.426 747 H CB 0.744 30.446 29.762 -0.101 0.000 1.424 747 H HN 0.687 nan 8.280 nan 0.000 0.599 748 C N 2.465 121.805 119.300 0.068 0.000 2.989 748 C HA 0.284 4.744 4.460 0.001 0.000 0.397 748 C C -0.812 174.218 174.990 0.066 0.000 1.022 748 C CA -0.262 58.790 59.018 0.057 0.000 1.232 748 C CB 0.712 28.465 27.740 0.021 0.000 1.638 748 C HN 0.873 nan 8.230 nan 0.000 0.534 749 T N 6.342 120.943 114.554 0.078 0.000 2.928 749 T HA 0.533 4.883 4.350 0.001 0.000 0.296 749 T C -0.808 173.946 174.700 0.091 0.000 1.000 749 T CA -0.181 61.968 62.100 0.083 0.000 0.989 749 T CB 1.024 69.932 68.868 0.066 0.000 1.005 749 T HN 0.545 nan 8.240 nan 0.000 0.442 750 I N 2.839 123.492 120.570 0.138 0.000 2.321 750 I HA 0.617 4.787 4.170 0.001 0.000 0.291 750 I C 0.273 176.499 176.117 0.182 0.000 0.998 750 I CA -0.779 60.615 61.300 0.157 0.000 1.227 750 I CB 1.272 39.392 38.000 0.199 0.000 1.368 750 I HN 0.657 nan 8.210 nan 0.000 0.466 751 A N 8.206 131.096 122.820 0.118 0.000 2.287 751 A HA 0.751 5.071 4.320 0.001 0.000 0.317 751 A C -0.523 177.123 177.584 0.102 0.000 1.220 751 A CA -0.436 51.657 52.037 0.094 0.000 0.835 751 A CB 0.397 19.434 19.000 0.062 0.000 1.180 751 A HN 0.695 nan 8.150 nan 0.000 0.500 752 I N 5.067 125.700 120.570 0.106 0.000 2.354 752 I HA 0.307 4.477 4.170 0.001 0.000 0.286 752 I C -2.236 173.891 176.117 0.017 0.000 1.007 752 I CA -2.154 59.191 61.300 0.075 0.000 1.167 752 I CB 2.144 40.237 38.000 0.154 0.000 1.320 752 I HN 0.428 nan 8.210 nan 0.000 0.458 753 P HA 0.167 nan 4.420 nan 0.000 0.282 753 P C -0.234 177.038 177.300 -0.047 0.000 1.262 753 P CA -0.524 62.571 63.100 -0.009 0.000 0.773 753 P CB 1.385 33.083 31.700 -0.003 0.000 0.879 754 K N 2.311 122.693 120.400 -0.031 0.000 2.400 754 K HA 0.106 4.427 4.320 0.001 0.000 0.194 754 K C 1.646 178.216 176.600 -0.050 0.000 1.033 754 K CA 0.793 57.054 56.287 -0.044 0.000 1.021 754 K CB -0.725 31.760 32.500 -0.024 0.000 0.808 754 K HN 0.812 nan 8.250 nan 0.000 0.505 755 G N 1.388 110.162 108.800 -0.043 0.000 2.347 755 G HA2 -0.299 3.662 3.960 0.001 0.000 0.247 755 G HA3 -0.299 3.662 3.960 0.001 0.000 0.247 755 G C -0.141 174.744 174.900 -0.026 0.000 1.037 755 G CA 0.302 45.374 45.100 -0.046 0.000 0.622 755 G HN 0.435 nan 8.290 nan 0.000 0.521 756 E N 0.695 120.885 120.200 -0.017 0.000 2.191 756 E HA 0.552 4.902 4.350 0.001 0.000 0.278 756 E C 0.406 177.008 176.600 0.004 0.000 0.972 756 E CA -0.625 55.770 56.400 -0.008 0.000 0.804 756 E CB 0.984 30.678 29.700 -0.010 0.000 1.110 756 E HN 0.151 nan 8.360 nan 0.000 0.394 757 E N 1.203 121.409 120.200 0.009 0.000 2.971 757 E HA -0.303 4.047 4.350 0.001 0.000 0.271 757 E C 0.800 177.415 176.600 0.025 0.000 1.053 757 E CA 1.271 57.679 56.400 0.015 0.000 0.817 757 E CB -1.443 28.261 29.700 0.007 0.000 1.410 757 E HN 1.124 nan 8.360 nan 0.000 0.445 758 G N -0.147 108.678 108.800 0.041 0.000 2.184 758 G HA2 -0.368 3.593 3.960 0.001 0.000 0.264 758 G HA3 -0.368 3.593 3.960 0.001 0.000 0.264 758 G C 0.220 175.145 174.900 0.042 0.000 0.975 758 G CA 0.778 45.917 45.100 0.064 0.000 0.642 758 G HN 0.440 nan 8.290 nan 0.000 0.536 759 E N -0.592 119.620 120.200 0.020 0.000 2.442 759 E HA 0.519 4.869 4.350 0.001 0.000 0.260 759 E C 0.418 177.024 176.600 0.009 0.000 1.148 759 E CA 0.447 56.851 56.400 0.006 0.000 0.976 759 E CB 0.551 30.249 29.700 -0.004 0.000 0.967 759 E HN 0.445 nan 8.360 nan 0.000 0.454 760 M N 1.174 120.771 119.600 -0.006 0.000 2.346 760 M HA 0.136 4.616 4.480 0.001 0.000 0.287 760 M C -2.005 174.270 176.300 -0.040 0.000 1.100 760 M CA -0.228 55.068 55.300 -0.008 0.000 0.950 760 M CB 2.107 34.715 32.600 0.013 0.000 1.815 760 M HN 0.529 nan 8.290 nan 0.000 0.497 761 E N 3.916 124.085 120.200 -0.051 0.000 2.145 761 E HA 0.634 4.985 4.350 0.001 0.000 0.270 761 E C -1.968 174.520 176.600 -0.188 0.000 0.906 761 E CA -0.604 55.712 56.400 -0.140 0.000 0.761 761 E CB 1.402 31.034 29.700 -0.114 0.000 1.116 761 E HN 0.586 nan 8.360 nan 0.000 0.408 762 L N 4.318 125.363 121.223 -0.297 0.000 2.346 762 L HA 0.493 4.834 4.340 0.001 0.000 0.274 762 L C -1.037 175.541 176.870 -0.487 0.000 1.007 762 L CA -0.464 54.236 54.840 -0.234 0.000 0.818 762 L CB 1.187 43.187 42.059 -0.098 0.000 1.284 762 L HN 0.510 nan 8.230 nan 0.000 0.424 763 F N 2.750 122.706 119.950 0.009 0.000 2.402 763 F HA 0.691 5.218 4.527 0.001 0.000 0.355 763 F C 0.066 175.865 175.800 -0.003 0.000 1.123 763 F CA -0.958 57.042 58.000 0.000 0.000 1.021 763 F CB 1.730 40.732 39.000 0.003 0.000 1.160 763 F HN 0.192 nan 8.300 nan 0.000 0.451 764 V N -0.185 119.789 119.914 0.100 0.000 3.007 764 V HA 0.630 4.750 4.120 0.001 0.000 0.311 764 V C -0.404 175.706 176.094 0.027 0.000 1.120 764 V CA -0.822 61.513 62.300 0.058 0.000 0.980 764 V CB 1.888 33.724 31.823 0.022 0.000 1.033 764 V HN 0.627 nan 8.190 nan 0.000 0.429 765 S N 2.639 118.338 115.700 -0.002 0.000 3.483 765 S HA 0.525 4.995 4.470 0.001 0.000 0.274 765 S C -0.068 174.466 174.600 -0.111 0.000 1.289 765 S CA 0.388 58.548 58.200 -0.067 0.000 0.938 765 S CB -1.114 62.017 63.200 -0.116 0.000 1.453 765 S HN 1.352 nan 8.310 nan 0.000 0.494 766 T N 2.918 117.424 114.554 -0.081 0.000 2.894 766 T HA 0.374 4.724 4.350 0.001 0.000 0.309 766 T C 0.191 174.847 174.700 -0.073 0.000 1.208 766 T CA -0.524 61.532 62.100 -0.074 0.000 1.016 766 T CB 1.733 70.577 68.868 -0.039 0.000 1.192 766 T HN 0.501 nan 8.240 nan 0.000 0.491 767 Q N 1.437 121.201 119.800 -0.061 0.000 2.319 767 Q HA 0.278 4.618 4.340 0.001 0.000 0.202 767 Q C 0.099 176.086 176.000 -0.022 0.000 0.896 767 Q CA -0.028 55.749 55.803 -0.044 0.000 0.942 767 Q CB 0.396 29.119 28.738 -0.025 0.000 1.083 767 Q HN 0.345 nan 8.270 nan 0.000 0.510 768 N N -0.003 118.676 118.700 -0.036 0.000 2.790 768 N HA 0.266 5.006 4.740 0.001 0.000 0.256 768 N C -0.222 175.239 175.510 -0.081 0.000 1.409 768 N CA -0.012 53.009 53.050 -0.048 0.000 0.799 768 N CB 0.980 39.437 38.487 -0.050 0.000 1.170 768 N HN 0.094 nan 8.380 nan 0.000 0.507 769 A N 2.962 125.739 122.820 -0.072 0.000 1.902 769 A HA -0.168 4.153 4.320 0.001 0.000 0.217 769 A C 2.111 179.636 177.584 -0.098 0.000 1.181 769 A CA 1.304 53.292 52.037 -0.081 0.000 0.623 769 A CB -0.364 18.590 19.000 -0.077 0.000 0.818 769 A HN 0.683 nan 8.150 nan 0.000 0.443 770 M N -1.061 118.483 119.600 -0.093 0.000 2.086 770 M HA -0.165 4.315 4.480 0.001 0.000 0.261 770 M C 1.764 177.950 176.300 -0.190 0.000 1.067 770 M CA 1.906 57.141 55.300 -0.108 0.000 1.116 770 M CB -0.161 32.395 32.600 -0.074 0.000 1.348 770 M HN 0.134 nan 8.290 nan 0.000 0.407 771 K N -0.008 120.230 120.400 -0.270 0.000 2.097 771 K HA -0.062 4.258 4.320 0.001 0.000 0.206 771 K C 1.906 178.163 176.600 -0.571 0.000 1.049 771 K CA 1.892 57.845 56.287 -0.557 0.000 0.933 771 K CB -0.918 31.201 32.500 -0.635 0.000 0.717 771 K HN 0.457 nan 8.250 nan 0.000 0.442 772 T N 1.674 116.054 114.554 -0.290 0.000 2.708 772 T HA -0.200 4.150 4.350 0.001 0.000 0.266 772 T C 1.947 176.589 174.700 -0.096 0.000 1.037 772 T CA 1.523 63.533 62.100 -0.150 0.000 1.146 772 T CB -0.119 68.697 68.868 -0.088 0.000 0.865 772 T HN 0.366 nan 8.240 nan 0.000 0.435 773 Q N 0.622 120.359 119.800 -0.104 0.000 2.030 773 Q HA -0.147 4.193 4.340 0.001 0.000 0.204 773 Q C 2.529 178.507 176.000 -0.037 0.000 0.986 773 Q CA 1.799 57.562 55.803 -0.067 0.000 0.843 773 Q CB -0.263 28.433 28.738 -0.070 0.000 0.904 773 Q HN 0.378 nan 8.270 nan 0.000 0.420 774 S N -0.085 115.579 115.700 -0.061 0.000 2.359 774 S HA -0.109 4.362 4.470 0.001 0.000 0.224 774 S C 1.554 176.269 174.600 0.191 0.000 1.035 774 S CA 1.127 59.341 58.200 0.023 0.000 1.018 774 S CB -0.299 62.893 63.200 -0.013 0.000 0.876 774 S HN 0.387 nan 8.310 nan 0.000 0.448 775 F N 1.106 121.025 119.950 -0.052 0.000 2.186 775 F HA 0.011 4.538 4.527 0.001 0.000 0.299 775 F C 2.357 178.116 175.800 -0.068 0.000 1.090 775 F CA -0.108 57.856 58.000 -0.060 0.000 1.307 775 F CB -1.349 37.616 39.000 -0.058 0.000 1.019 775 F HN 0.031 nan 8.300 nan 0.000 0.489 776 V N -0.061 119.927 119.914 0.123 0.000 2.358 776 V HA -0.242 3.878 4.120 0.001 0.000 0.246 776 V C 2.621 178.717 176.094 0.004 0.000 1.047 776 V CA 1.648 63.969 62.300 0.035 0.000 1.035 776 V CB -1.250 30.579 31.823 0.010 0.000 0.658 776 V HN 0.295 nan 8.190 nan 0.000 0.452 777 A N -0.350 122.479 122.820 0.014 0.000 1.873 777 A HA -0.242 4.079 4.320 0.001 0.000 0.215 777 A C 2.327 179.902 177.584 -0.016 0.000 1.186 777 A CA 2.078 54.110 52.037 -0.007 0.000 0.616 777 A CB -0.493 18.505 19.000 -0.002 0.000 0.823 777 A HN 0.495 nan 8.150 nan 0.000 0.442 778 K N -0.535 119.871 120.400 0.012 0.000 2.032 778 K HA -0.249 4.071 4.320 0.001 0.000 0.209 778 K C 2.127 178.692 176.600 -0.059 0.000 1.048 778 K CA 2.178 58.455 56.287 -0.016 0.000 0.927 778 K CB -0.294 32.204 32.500 -0.003 0.000 0.712 778 K HN 0.565 nan 8.250 nan 0.000 0.441 779 M N 0.115 119.673 119.600 -0.069 0.000 2.229 779 M HA -0.076 4.405 4.480 0.001 0.000 0.264 779 M C 1.419 177.632 176.300 -0.145 0.000 1.063 779 M CA 1.672 56.907 55.300 -0.108 0.000 1.114 779 M CB -0.287 32.242 32.600 -0.118 0.000 1.387 779 M HN 0.099 nan 8.290 nan 0.000 0.420 780 L N 0.360 121.493 121.223 -0.150 0.000 2.418 780 L HA 0.280 4.620 4.340 0.001 0.000 0.218 780 L C 1.146 177.909 176.870 -0.179 0.000 1.125 780 L CA 0.436 55.135 54.840 -0.235 0.000 0.835 780 L CB -0.846 41.096 42.059 -0.196 0.000 0.953 780 L HN 0.737 nan 8.230 nan 0.000 0.454 781 G N 1.090 109.826 108.800 -0.107 0.000 2.353 781 G HA2 -0.193 3.767 3.960 0.001 0.000 0.294 781 G HA3 -0.193 3.767 3.960 0.001 0.000 0.294 781 G C -0.483 174.386 174.900 -0.051 0.000 1.077 781 G CA 0.147 45.204 45.100 -0.071 0.000 1.098 781 G HN 0.112 nan 8.290 nan 0.000 0.511 782 V N 0.815 120.705 119.914 -0.041 0.000 2.969 782 V HA 0.592 4.713 4.120 0.001 0.000 0.304 782 V C -2.204 173.879 176.094 -0.019 0.000 1.192 782 V CA -1.491 60.794 62.300 -0.026 0.000 0.962 782 V CB 2.705 34.512 31.823 -0.027 0.000 1.045 782 V HN 0.237 nan 8.190 nan 0.000 0.428 783 P HA 0.166 nan 4.420 nan 0.000 0.271 783 P C 0.892 178.184 177.300 -0.013 0.000 1.218 783 P CA -0.024 63.069 63.100 -0.013 0.000 0.780 783 P CB 0.774 32.468 31.700 -0.011 0.000 0.901 784 V N 1.515 121.420 119.914 -0.014 0.000 2.660 784 V HA -0.246 3.874 4.120 0.001 0.000 0.257 784 V C 1.765 177.847 176.094 -0.019 0.000 1.088 784 V CA 2.195 64.485 62.300 -0.017 0.000 1.106 784 V CB -1.367 30.445 31.823 -0.019 0.000 0.686 784 V HN 0.696 nan 8.190 nan 0.000 0.481 785 N N 0.110 118.800 118.700 -0.016 0.000 2.461 785 N HA -0.096 4.644 4.740 0.001 0.000 0.188 785 N C 1.484 176.984 175.510 -0.015 0.000 1.134 785 N CA 0.469 53.509 53.050 -0.016 0.000 0.878 785 N CB -0.263 38.216 38.487 -0.013 0.000 0.972 785 N HN 0.271 nan 8.380 nan 0.000 0.456 786 R N 0.044 120.535 120.500 -0.014 0.000 2.280 786 R HA 0.262 4.603 4.340 0.001 0.000 0.195 786 R C -0.070 176.218 176.300 -0.019 0.000 0.935 786 R CA 0.004 56.096 56.100 -0.012 0.000 1.033 786 R CB 0.257 30.555 30.300 -0.005 0.000 0.964 786 R HN 0.240 nan 8.270 nan 0.000 0.489 787 I N 1.993 122.547 120.570 -0.027 0.000 2.362 787 I HA 0.236 4.406 4.170 0.001 0.000 0.289 787 I C -0.533 175.551 176.117 -0.056 0.000 0.994 787 I CA -1.644 59.634 61.300 -0.038 0.000 1.158 787 I CB 1.424 39.405 38.000 -0.032 0.000 1.315 787 I HN -0.159 nan 8.210 nan 0.000 0.451 788 L N 8.807 129.984 121.223 -0.078 0.000 2.287 788 L HA 0.597 4.938 4.340 0.001 0.000 0.287 788 L C -0.744 176.031 176.870 -0.158 0.000 1.022 788 L CA -0.370 54.406 54.840 -0.106 0.000 0.814 788 L CB 1.606 43.601 42.059 -0.108 0.000 1.217 788 L HN 0.267 nan 8.230 nan 0.000 0.420 789 V N 6.087 125.914 119.914 -0.146 0.000 2.448 789 V HA 0.628 4.748 4.120 0.001 0.000 0.295 789 V C -0.072 175.917 176.094 -0.176 0.000 1.025 789 V CA -0.642 61.557 62.300 -0.168 0.000 0.859 789 V CB 1.597 33.351 31.823 -0.115 0.000 0.988 789 V HN 0.717 nan 8.190 nan 0.000 0.431 790 R N 3.195 123.554 120.500 -0.235 0.000 2.561 790 R HA 0.796 5.137 4.340 0.001 0.000 0.297 790 R C -1.626 174.640 176.300 -0.056 0.000 0.969 790 R CA -0.705 55.294 56.100 -0.168 0.000 0.879 790 R CB 2.549 32.693 30.300 -0.260 0.000 1.178 790 R HN 0.492 nan 8.270 nan 0.000 0.445 791 V N 3.722 123.622 119.914 -0.025 0.000 2.419 791 V HA 0.127 4.247 4.120 0.001 0.000 0.287 791 V C 0.560 176.658 176.094 0.007 0.000 1.017 791 V CA -0.671 61.629 62.300 -0.000 0.000 0.844 791 V CB 1.375 33.176 31.823 -0.036 0.000 1.011 791 V HN 0.720 nan 8.190 nan 0.000 0.429 792 K N 5.021 125.441 120.400 0.033 0.000 1.975 792 K HA 0.124 4.445 4.320 0.001 0.000 0.210 792 K C 0.839 177.432 176.600 -0.011 0.000 1.041 792 K CA 1.533 57.819 56.287 -0.001 0.000 0.942 792 K CB 0.226 32.718 32.500 -0.013 0.000 0.729 792 K HN 0.796 nan 8.250 nan 0.000 0.439 793 R N -1.716 118.758 120.500 -0.043 0.000 2.766 793 R HA 0.502 4.843 4.340 0.001 0.000 0.270 793 R C -1.166 175.129 176.300 -0.008 0.000 1.035 793 R CA -0.965 55.109 56.100 -0.043 0.000 0.911 793 R CB 0.934 31.163 30.300 -0.120 0.000 1.243 793 R HN 0.006 nan 8.270 nan 0.000 0.460 794 M N 0.138 119.747 119.600 0.015 0.000 2.530 794 M HA 0.394 4.874 4.480 0.001 0.000 0.307 794 M C 0.337 176.722 176.300 0.141 0.000 1.161 794 M CA -0.732 54.588 55.300 0.034 0.000 0.903 794 M CB 2.541 35.077 32.600 -0.106 0.000 1.711 794 M HN 0.940 nan 8.290 nan 0.000 0.451 795 G N 1.460 110.343 108.800 0.137 0.000 3.401 795 G HA2 0.483 4.444 3.960 0.001 0.000 0.251 795 G HA3 0.483 4.444 3.960 0.001 0.000 0.251 795 G C 0.375 175.263 174.900 -0.019 0.000 0.960 795 G CA 0.359 45.477 45.100 0.029 0.000 1.900 795 G HN 1.110 nan 8.290 nan 0.000 0.645 796 G N -1.399 107.335 108.800 -0.110 0.000 2.675 796 G HA2 0.370 4.331 3.960 0.001 0.000 0.686 796 G HA3 0.370 4.331 3.960 0.001 0.000 0.686 796 G C 0.518 175.201 174.900 -0.363 0.000 1.215 796 G CA -0.302 44.593 45.100 -0.342 0.000 0.777 796 G HN 1.227 nan 8.290 nan 0.000 0.638 797 G N -0.917 107.513 108.800 -0.617 0.000 2.625 797 G HA2 0.520 4.481 3.960 0.001 0.000 0.215 797 G HA3 0.520 4.481 3.960 0.001 0.000 0.215 797 G C 0.908 175.754 174.900 -0.090 0.000 1.465 797 G CA 0.850 45.776 45.100 -0.290 0.000 0.567 797 G HN 1.705 nan 8.290 nan 0.000 1.088 798 F N 1.122 121.109 119.950 0.062 0.000 3.109 798 F HA -0.208 4.320 4.527 0.001 0.000 0.278 798 F C 2.002 177.838 175.800 0.060 0.000 0.890 798 F CA 1.030 59.065 58.000 0.058 0.000 0.972 798 F CB -1.408 37.593 39.000 0.001 0.000 1.070 798 F HN 1.070 nan 8.300 nan 0.000 0.578 799 G N -1.336 107.547 108.800 0.139 0.000 2.284 799 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 799 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 799 G C 1.153 176.080 174.900 0.044 0.000 1.009 799 G CA 0.054 45.261 45.100 0.179 0.000 0.625 799 G HN 1.093 nan 8.290 nan 0.000 0.501 800 G N 0.315 108.874 108.800 -0.402 0.000 2.448 800 G HA2 0.058 4.019 3.960 0.001 0.000 0.219 800 G HA3 0.058 4.019 3.960 0.001 0.000 0.219 800 G C 1.221 176.078 174.900 -0.071 0.000 1.127 800 G CA 1.469 46.135 45.100 -0.722 0.000 0.766 800 G HN 0.534 nan 8.290 nan 0.000 0.552 801 K N -0.039 120.311 120.400 -0.082 0.000 2.498 801 K HA 0.217 4.538 4.320 0.001 0.000 0.207 801 K C 1.459 178.066 176.600 0.012 0.000 1.033 801 K CA -0.122 56.147 56.287 -0.030 0.000 1.138 801 K CB 0.668 33.035 32.500 -0.223 0.000 0.860 801 K HN 0.366 nan 8.250 nan 0.000 0.490 802 E N 0.436 120.673 120.200 0.062 0.000 2.112 802 E HA -0.117 4.233 4.350 0.001 0.000 0.190 802 E C 1.184 177.834 176.600 0.084 0.000 0.979 802 E CA 1.649 58.103 56.400 0.090 0.000 0.814 802 E CB 0.467 30.261 29.700 0.156 0.000 0.762 802 E HN 0.303 nan 8.360 nan 0.000 0.460 803 T N -3.250 111.370 114.554 0.110 0.000 3.074 803 T HA 0.205 4.555 4.350 0.001 0.000 0.258 803 T C 1.472 176.237 174.700 0.109 0.000 0.891 803 T CA -0.616 61.544 62.100 0.101 0.000 0.867 803 T CB 0.010 68.969 68.868 0.152 0.000 1.261 803 T HN -0.081 nan 8.240 nan 0.000 0.537 804 R N 2.381 122.944 120.500 0.104 0.000 2.276 804 R HA 0.211 4.551 4.340 0.001 0.000 0.203 804 R C 2.647 178.897 176.300 -0.082 0.000 1.017 804 R CA 1.087 57.208 56.100 0.034 0.000 1.010 804 R CB -1.033 29.284 30.300 0.028 0.000 0.900 804 R HN 0.674 nan 8.270 nan 0.000 0.469 805 S N 1.045 116.779 115.700 0.057 0.000 2.420 805 S HA -0.186 4.285 4.470 0.001 0.000 0.237 805 S C 1.977 176.593 174.600 0.027 0.000 1.023 805 S CA 1.899 60.163 58.200 0.106 0.000 0.991 805 S CB -0.586 62.708 63.200 0.158 0.000 0.792 805 S HN 0.493 nan 8.310 nan 0.000 0.488 806 T N 0.181 114.763 114.554 0.046 0.000 3.007 806 T HA 0.135 4.485 4.350 0.001 0.000 0.270 806 T C 1.752 176.477 174.700 0.040 0.000 1.107 806 T CA 0.898 63.050 62.100 0.087 0.000 1.118 806 T CB -0.686 68.331 68.868 0.248 0.000 0.889 806 T HN 0.449 nan 8.240 nan 0.000 0.506 807 L N 0.295 121.511 121.223 -0.012 0.000 2.093 807 L HA -0.003 4.338 4.340 0.001 0.000 0.208 807 L C 2.811 179.652 176.870 -0.048 0.000 1.085 807 L CA 0.887 55.702 54.840 -0.043 0.000 0.755 807 L CB -0.468 41.556 42.059 -0.058 0.000 0.904 807 L HN 0.235 nan 8.230 nan 0.000 0.435 808 V N -1.686 118.203 119.914 -0.041 0.000 2.500 808 V HA -0.136 3.985 4.120 0.001 0.000 0.243 808 V C 2.519 178.621 176.094 0.014 0.000 1.039 808 V CA 1.311 63.611 62.300 0.001 0.000 1.053 808 V CB 0.406 32.244 31.823 0.025 0.000 0.695 808 V HN 0.284 nan 8.190 nan 0.000 0.463 809 S N 0.172 115.883 115.700 0.018 0.000 2.356 809 S HA -0.171 4.299 4.470 0.001 0.000 0.223 809 S C 1.999 176.604 174.600 0.008 0.000 1.032 809 S CA 1.649 59.863 58.200 0.023 0.000 1.005 809 S CB -0.151 63.065 63.200 0.027 0.000 0.867 809 S HN 0.362 nan 8.310 nan 0.000 0.449 810 V N 1.636 121.543 119.914 -0.012 0.000 2.515 810 V HA -0.122 3.999 4.120 0.001 0.000 0.250 810 V C 2.474 178.510 176.094 -0.098 0.000 1.058 810 V CA 1.537 63.807 62.300 -0.050 0.000 1.064 810 V CB -1.035 30.745 31.823 -0.072 0.000 0.675 810 V HN 0.523 nan 8.190 nan 0.000 0.461 811 A N -0.362 122.390 122.820 -0.113 0.000 1.929 811 A HA -0.092 4.228 4.320 0.001 0.000 0.216 811 A C 2.347 179.967 177.584 0.060 0.000 1.176 811 A CA 1.652 53.652 52.037 -0.063 0.000 0.628 811 A CB -0.443 18.550 19.000 -0.012 0.000 0.816 811 A HN 0.330 nan 8.150 nan 0.000 0.444 812 V N -0.164 119.778 119.914 0.047 0.000 2.453 812 V HA -0.182 3.938 4.120 0.001 0.000 0.247 812 V C 3.031 179.160 176.094 0.059 0.000 1.048 812 V CA 1.645 63.980 62.300 0.059 0.000 1.049 812 V CB -1.079 30.777 31.823 0.055 0.000 0.672 812 V HN 0.590 nan 8.190 nan 0.000 0.457 813 A N 0.046 122.892 122.820 0.044 0.000 1.908 813 A HA -0.241 4.079 4.320 0.001 0.000 0.218 813 A C 2.181 179.816 177.584 0.085 0.000 1.181 813 A CA 2.255 54.323 52.037 0.051 0.000 0.627 813 A CB -0.617 18.396 19.000 0.022 0.000 0.818 813 A HN 0.463 nan 8.150 nan 0.000 0.445 814 L N -0.300 120.968 121.223 0.075 0.000 2.046 814 L HA -0.091 4.249 4.340 0.001 0.000 0.208 814 L C 2.690 179.665 176.870 0.175 0.000 1.077 814 L CA 2.267 57.183 54.840 0.128 0.000 0.747 814 L CB -0.686 41.457 42.059 0.140 0.000 0.896 814 L HN 0.346 nan 8.230 nan 0.000 0.432 815 A N -0.545 122.349 122.820 0.123 0.000 1.933 815 A HA -0.117 4.204 4.320 0.001 0.000 0.218 815 A C 2.451 180.080 177.584 0.075 0.000 1.175 815 A CA 1.824 53.908 52.037 0.079 0.000 0.628 815 A CB -1.166 17.866 19.000 0.052 0.000 0.814 815 A HN 0.594 nan 8.150 nan 0.000 0.444 816 A N -1.168 121.706 122.820 0.091 0.000 1.858 816 A HA -0.127 4.193 4.320 0.001 0.000 0.216 816 A C 2.170 179.814 177.584 0.100 0.000 1.190 816 A CA 1.728 53.815 52.037 0.084 0.000 0.617 816 A CB -0.958 18.090 19.000 0.080 0.000 0.827 816 A HN 0.808 nan 8.150 nan 0.000 0.443 817 Y N 0.338 120.647 120.300 0.015 0.000 2.097 817 Y HA -0.186 4.364 4.550 0.001 0.000 0.282 817 Y C 2.301 178.210 175.900 0.015 0.000 1.152 817 Y CA 2.444 60.551 58.100 0.011 0.000 1.136 817 Y CB -0.089 38.377 38.460 0.010 0.000 0.975 817 Y HN 0.175 nan 8.280 nan 0.000 0.498 818 K N -0.283 120.145 120.400 0.046 0.000 2.296 818 K HA -0.061 4.259 4.320 0.001 0.000 0.200 818 K C 1.587 178.126 176.600 -0.101 0.000 1.048 818 K CA 1.554 57.803 56.287 -0.063 0.000 0.966 818 K CB -0.175 32.391 32.500 0.110 0.000 0.754 818 K HN 0.610 nan 8.250 nan 0.000 0.466 819 T N -4.718 109.806 114.554 -0.051 0.000 3.001 819 T HA 0.196 4.546 4.350 0.001 0.000 0.251 819 T C 1.277 176.030 174.700 0.088 0.000 1.040 819 T CA 0.731 62.817 62.100 -0.023 0.000 0.985 819 T CB 0.559 69.385 68.868 -0.070 0.000 1.011 819 T HN 0.228 nan 8.240 nan 0.000 0.509 820 G N 1.065 109.877 108.800 0.019 0.000 2.212 820 G HA2 -0.239 3.721 3.960 0.001 0.000 0.266 820 G HA3 -0.239 3.721 3.960 0.001 0.000 0.266 820 G C -0.115 174.799 174.900 0.025 0.000 0.978 820 G CA 0.407 45.511 45.100 0.008 0.000 0.632 820 G HN 0.756 nan 8.290 nan 0.000 0.537 821 H N 0.896 119.924 119.070 -0.070 0.000 2.533 821 H HA 0.552 5.108 4.556 0.001 0.000 0.343 821 H C -2.299 172.992 175.328 -0.060 0.000 1.160 821 H CA -1.975 54.032 56.048 -0.068 0.000 1.218 821 H CB 1.177 30.910 29.762 -0.049 0.000 1.566 821 H HN 0.005 nan 8.280 nan 0.000 0.522 822 P HA -0.043 nan 4.420 nan 0.000 0.260 822 P C -0.823 176.495 177.300 0.030 0.000 1.172 822 P CA 0.440 63.566 63.100 0.043 0.000 0.760 822 P CB 0.377 32.129 31.700 0.086 0.000 0.773 823 V N 4.751 124.669 119.914 0.007 0.000 2.823 823 V HA 0.680 4.800 4.120 0.001 0.000 0.312 823 V C 0.277 176.328 176.094 -0.071 0.000 1.072 823 V CA -0.665 61.600 62.300 -0.058 0.000 0.937 823 V CB 2.262 34.079 31.823 -0.009 0.000 1.013 823 V HN 0.581 nan 8.190 nan 0.000 0.430 824 R N 1.747 122.149 120.500 -0.165 0.000 2.836 824 R HA 0.933 5.273 4.340 0.001 0.000 0.269 824 R C -1.488 174.819 176.300 0.012 0.000 1.010 824 R CA -0.625 55.428 56.100 -0.079 0.000 0.930 824 R CB 1.849 32.076 30.300 -0.122 0.000 1.218 824 R HN 0.766 nan 8.270 nan 0.000 0.473 825 C N 2.487 121.835 119.300 0.080 0.000 2.891 825 C HA 0.667 5.127 4.460 0.001 0.000 0.342 825 C C -1.225 173.837 174.990 0.120 0.000 1.126 825 C CA -0.619 58.479 59.018 0.133 0.000 1.322 825 C CB 1.453 29.265 27.740 0.119 0.000 1.763 825 C HN 1.019 nan 8.230 nan 0.000 0.491 826 M N 6.721 126.400 119.600 0.133 0.000 2.259 826 M HA 0.615 5.095 4.480 0.001 0.000 0.304 826 M C -1.502 174.858 176.300 0.100 0.000 1.019 826 M CA -0.527 54.834 55.300 0.101 0.000 0.922 826 M CB 1.312 33.964 32.600 0.086 0.000 1.600 826 M HN 0.724 nan 8.290 nan 0.000 0.433 827 L N 3.486 124.768 121.223 0.098 0.000 2.417 827 L HA 0.288 4.629 4.340 0.001 0.000 0.268 827 L C 0.160 177.077 176.870 0.078 0.000 1.158 827 L CA -0.492 54.408 54.840 0.099 0.000 0.819 827 L CB 0.420 42.552 42.059 0.121 0.000 1.112 827 L HN 0.671 nan 8.230 nan 0.000 0.458 828 D N 0.941 121.385 120.400 0.072 0.000 2.339 828 D HA 0.043 4.683 4.640 0.001 0.000 0.245 828 D C 0.944 177.273 176.300 0.049 0.000 1.115 828 D CA -0.229 53.803 54.000 0.054 0.000 0.917 828 D CB 1.331 42.163 40.800 0.053 0.000 1.192 828 D HN 0.369 nan 8.370 nan 0.000 0.428 829 R N 2.041 122.553 120.500 0.021 0.000 2.133 829 R HA -0.244 4.096 4.340 0.001 0.000 0.245 829 R C 1.705 178.017 176.300 0.020 0.000 1.137 829 R CA 2.109 58.200 56.100 -0.015 0.000 0.947 829 R CB -0.257 30.025 30.300 -0.031 0.000 0.865 829 R HN 0.550 nan 8.270 nan 0.000 0.437 830 N N 0.143 118.871 118.700 0.046 0.000 2.381 830 N HA -0.170 4.571 4.740 0.001 0.000 0.182 830 N C 1.124 176.675 175.510 0.069 0.000 1.025 830 N CA 1.626 54.711 53.050 0.059 0.000 0.888 830 N CB -0.225 38.302 38.487 0.067 0.000 0.965 830 N HN 0.497 nan 8.380 nan 0.000 0.438 831 E N 0.362 120.608 120.200 0.077 0.000 2.046 831 E HA -0.147 4.203 4.350 0.001 0.000 0.190 831 E C 1.352 178.008 176.600 0.093 0.000 0.982 831 E CA 0.883 57.337 56.400 0.090 0.000 0.800 831 E CB -0.110 29.648 29.700 0.097 0.000 0.756 831 E HN 0.388 nan 8.360 nan 0.000 0.449 832 D N 0.618 121.079 120.400 0.103 0.000 2.104 832 D HA -0.176 4.464 4.640 0.001 0.000 0.194 832 D C 1.992 178.365 176.300 0.123 0.000 0.994 832 D CA 1.197 55.287 54.000 0.149 0.000 0.830 832 D CB 0.058 40.982 40.800 0.206 0.000 0.959 832 D HN 0.147 nan 8.370 nan 0.000 0.452 833 M N -0.221 119.416 119.600 0.062 0.000 2.229 833 M HA -0.136 4.345 4.480 0.001 0.000 0.264 833 M C 2.289 178.619 176.300 0.051 0.000 1.063 833 M CA 0.543 55.857 55.300 0.023 0.000 1.114 833 M CB -0.025 32.553 32.600 -0.038 0.000 1.387 833 M HN 0.056 nan 8.290 nan 0.000 0.420 834 L N 0.371 121.633 121.223 0.066 0.000 2.056 834 L HA -0.093 4.247 4.340 0.001 0.000 0.207 834 L C 1.909 178.836 176.870 0.095 0.000 1.078 834 L CA 1.887 56.777 54.840 0.084 0.000 0.749 834 L CB -0.175 41.936 42.059 0.087 0.000 0.901 834 L HN 0.185 nan 8.230 nan 0.000 0.433 835 I N -1.492 119.132 120.570 0.090 0.000 2.628 835 I HA -0.121 4.049 4.170 0.001 0.000 0.255 835 I C 2.277 178.431 176.117 0.062 0.000 1.119 835 I CA 1.108 62.455 61.300 0.079 0.000 1.448 835 I CB -0.472 37.571 38.000 0.072 0.000 1.133 835 I HN 0.349 nan 8.210 nan 0.000 0.438 836 T N -0.932 113.664 114.554 0.070 0.000 3.035 836 T HA 0.243 4.593 4.350 0.001 0.000 0.268 836 T C 1.096 175.875 174.700 0.131 0.000 1.109 836 T CA 0.535 62.670 62.100 0.058 0.000 1.119 836 T CB -0.526 68.426 68.868 0.140 0.000 0.900 836 T HN 0.562 nan 8.240 nan 0.000 0.503 837 G N -0.826 108.063 108.800 0.149 0.000 2.730 837 G HA2 0.393 4.354 3.960 0.001 0.000 0.686 837 G HA3 0.393 4.354 3.960 0.001 0.000 0.686 837 G C -0.153 174.905 174.900 0.263 0.000 1.343 837 G CA -0.569 44.629 45.100 0.162 0.000 0.826 837 G HN 1.171 nan 8.290 nan 0.000 0.582 838 G N -0.665 108.262 108.800 0.211 0.000 3.021 838 G HA2 0.835 4.795 3.960 0.001 0.000 0.290 838 G HA3 0.835 4.795 3.960 0.001 0.000 0.290 838 G C 0.031 175.043 174.900 0.186 0.000 1.291 838 G CA 0.031 45.255 45.100 0.206 0.000 0.834 838 G HN 1.019 nan 8.290 nan 0.000 0.564 839 R N -0.166 120.450 120.500 0.192 0.000 2.734 839 R HA 0.106 4.447 4.340 0.001 0.000 0.266 839 R C -0.371 175.968 176.300 0.065 0.000 1.044 839 R CA -0.273 55.907 56.100 0.132 0.000 1.128 839 R CB 0.057 30.264 30.300 -0.156 0.000 1.010 839 R HN 0.574 nan 8.270 nan 0.000 0.461 840 H N 4.285 123.406 119.070 0.085 0.000 2.955 840 H HA 0.113 4.670 4.556 0.001 0.000 0.290 840 H C -1.904 173.534 175.328 0.184 0.000 1.047 840 H CA -1.490 54.664 56.048 0.177 0.000 1.484 840 H CB 0.805 30.753 29.762 0.309 0.000 1.501 840 H HN 0.459 nan 8.280 nan 0.000 0.521 841 P HA 0.051 nan 4.420 nan 0.000 0.269 841 P C -0.647 176.870 177.300 0.362 0.000 1.215 841 P CA 0.443 63.612 63.100 0.116 0.000 0.780 841 P CB 0.537 32.286 31.700 0.082 0.000 0.898 842 F N 1.210 121.059 119.950 -0.168 0.000 2.565 842 F HA 0.520 5.047 4.527 0.001 0.000 0.313 842 F C -0.393 175.443 175.800 0.061 0.000 1.091 842 F CA -1.081 56.932 58.000 0.022 0.000 0.915 842 F CB 1.822 40.864 39.000 0.070 0.000 1.208 842 F HN 0.079 nan 8.300 nan 0.000 0.453 843 L N 3.579 124.983 121.223 0.303 0.000 2.362 843 L HA 0.889 5.229 4.340 0.001 0.000 0.275 843 L C -1.197 175.904 176.870 0.386 0.000 0.998 843 L CA -0.244 54.830 54.840 0.389 0.000 0.820 843 L CB 1.646 43.928 42.059 0.372 0.000 1.270 843 L HN 0.610 nan 8.230 nan 0.000 0.415 844 A N 5.052 128.092 122.820 0.365 0.000 2.355 844 A HA 0.836 5.156 4.320 0.001 0.000 0.317 844 A C -0.788 176.990 177.584 0.323 0.000 1.094 844 A CA -0.703 51.510 52.037 0.293 0.000 0.764 844 A CB 1.034 20.177 19.000 0.238 0.000 1.230 844 A HN 0.747 nan 8.150 nan 0.000 0.448 845 R N 1.067 121.725 120.500 0.264 0.000 2.294 845 R HA 0.597 4.937 4.340 0.001 0.000 0.319 845 R C -1.170 175.244 176.300 0.189 0.000 0.984 845 R CA -0.288 55.924 56.100 0.186 0.000 0.861 845 R CB 1.268 31.655 30.300 0.146 0.000 1.104 845 R HN 0.811 nan 8.270 nan 0.000 0.451 846 Y N -1.032 119.307 120.300 0.065 0.000 2.638 846 Y HA 0.671 5.222 4.550 0.001 0.000 0.339 846 Y C -1.160 174.753 175.900 0.022 0.000 1.084 846 Y CA -1.369 56.755 58.100 0.040 0.000 1.068 846 Y CB 1.973 40.491 38.460 0.097 0.000 1.294 846 Y HN 0.298 nan 8.280 nan 0.000 0.480 847 K N 2.243 122.720 120.400 0.128 0.000 2.619 847 K HA 0.582 4.902 4.320 0.001 0.000 0.251 847 K C -2.270 174.437 176.600 0.179 0.000 0.987 847 K CA -0.593 55.730 56.287 0.060 0.000 0.844 847 K CB 2.171 34.632 32.500 -0.066 0.000 1.237 847 K HN 0.718 nan 8.250 nan 0.000 0.447 848 V N 1.267 121.304 119.914 0.206 0.000 2.581 848 V HA 0.732 4.852 4.120 0.001 0.000 0.303 848 V C 0.432 176.766 176.094 0.400 0.000 1.041 848 V CA -0.930 61.457 62.300 0.144 0.000 0.907 848 V CB 1.737 33.550 31.823 -0.016 0.000 0.994 848 V HN 0.826 nan 8.190 nan 0.000 0.442 849 G N 3.150 112.119 108.800 0.281 0.000 2.487 849 G HA2 0.779 4.740 3.960 0.001 0.000 0.314 849 G HA3 0.779 4.740 3.960 0.001 0.000 0.314 849 G C -1.154 173.827 174.900 0.136 0.000 1.267 849 G CA -0.417 44.794 45.100 0.185 0.000 0.937 849 G HN 0.799 nan 8.290 nan 0.000 0.481 850 F N 0.727 120.668 119.950 -0.014 0.000 2.685 850 F HA 0.798 5.325 4.527 0.001 0.000 0.315 850 F C -0.604 175.188 175.800 -0.012 0.000 1.126 850 F CA -1.845 56.136 58.000 -0.032 0.000 0.950 850 F CB 1.380 40.369 39.000 -0.018 0.000 1.360 850 F HN 0.227 nan 8.300 nan 0.000 0.469 851 M N 1.121 120.818 119.600 0.162 0.000 2.494 851 M HA 0.387 4.867 4.480 0.001 0.000 0.300 851 M C 0.741 177.128 176.300 0.145 0.000 1.189 851 M CA -0.635 54.703 55.300 0.063 0.000 0.982 851 M CB 1.522 34.150 32.600 0.047 0.000 1.534 851 M HN 0.833 nan 8.290 nan 0.000 0.488 852 K N 0.051 120.496 120.400 0.074 0.000 2.360 852 K HA -0.072 4.249 4.320 0.001 0.000 0.201 852 K C 1.515 178.180 176.600 0.109 0.000 1.046 852 K CA 1.166 57.513 56.287 0.100 0.000 0.945 852 K CB -0.164 32.368 32.500 0.052 0.000 0.750 852 K HN 0.679 nan 8.250 nan 0.000 0.464 853 T N -0.667 113.942 114.554 0.090 0.000 2.962 853 T HA -0.033 4.318 4.350 0.001 0.000 0.270 853 T C 1.369 176.118 174.700 0.081 0.000 1.088 853 T CA 1.119 63.263 62.100 0.072 0.000 1.127 853 T CB -0.042 68.854 68.868 0.046 0.000 0.883 853 T HN 0.511 nan 8.240 nan 0.000 0.493 854 G N 1.352 110.228 108.800 0.127 0.000 2.175 854 G HA2 -0.249 3.712 3.960 0.001 0.000 0.244 854 G HA3 -0.249 3.712 3.960 0.001 0.000 0.244 854 G C 0.271 175.196 174.900 0.041 0.000 0.982 854 G CA 0.106 45.253 45.100 0.079 0.000 0.641 854 G HN 0.519 nan 8.290 nan 0.000 0.527 855 T N 1.842 116.433 114.554 0.061 0.000 2.769 855 T HA 0.482 4.832 4.350 0.001 0.000 0.293 855 T C 0.846 175.575 174.700 0.048 0.000 0.931 855 T CA 0.031 62.141 62.100 0.016 0.000 1.139 855 T CB 1.140 70.008 68.868 0.000 0.000 0.881 855 T HN 0.290 nan 8.240 nan 0.000 0.532 856 I N 3.874 124.443 120.570 -0.001 0.000 2.692 856 I HA 0.028 4.198 4.170 0.001 0.000 0.284 856 I C 1.147 177.231 176.117 -0.055 0.000 1.159 856 I CA 0.630 61.926 61.300 -0.007 0.000 1.423 856 I CB 1.034 38.995 38.000 -0.066 0.000 1.380 856 I HN 0.467 nan 8.210 nan 0.000 0.580 857 V N 4.143 124.005 119.914 -0.088 0.000 3.305 857 V HA 0.487 4.608 4.120 0.001 0.000 0.247 857 V C 0.168 176.105 176.094 -0.261 0.000 1.426 857 V CA 0.410 62.625 62.300 -0.142 0.000 1.162 857 V CB 0.460 32.218 31.823 -0.108 0.000 0.961 857 V HN 0.779 nan 8.190 nan 0.000 0.449 858 A N 0.935 123.529 122.820 -0.376 0.000 2.459 858 A HA 0.825 5.145 4.320 0.001 0.000 0.296 858 A C -1.846 175.412 177.584 -0.544 0.000 1.039 858 A CA -0.282 51.367 52.037 -0.647 0.000 0.698 858 A CB 2.137 20.309 19.000 -1.380 0.000 1.261 858 A HN 0.196 nan 8.150 nan 0.000 0.405 859 L N 1.063 122.049 121.223 -0.394 0.000 2.381 859 L HA 0.834 5.174 4.340 0.001 0.000 0.268 859 L C -0.454 176.368 176.870 -0.081 0.000 0.997 859 L CA -0.097 54.570 54.840 -0.288 0.000 0.818 859 L CB 1.936 43.732 42.059 -0.438 0.000 1.310 859 L HN 0.804 nan 8.230 nan 0.000 0.416 860 E N 3.455 123.682 120.200 0.045 0.000 2.263 860 E HA 0.691 5.042 4.350 0.001 0.000 0.268 860 E C -2.085 174.560 176.600 0.074 0.000 0.884 860 E CA -0.636 55.827 56.400 0.105 0.000 0.766 860 E CB 1.989 31.815 29.700 0.211 0.000 1.196 860 E HN 0.485 nan 8.360 nan 0.000 0.416 861 V N 3.886 123.837 119.914 0.061 0.000 2.612 861 V HA 0.276 4.396 4.120 0.001 0.000 0.301 861 V C -1.222 174.831 176.094 -0.068 0.000 1.059 861 V CA -1.021 61.285 62.300 0.010 0.000 0.886 861 V CB 1.972 33.784 31.823 -0.018 0.000 1.007 861 V HN 0.700 nan 8.190 nan 0.000 0.426 862 D N 2.835 123.191 120.400 -0.074 0.000 2.329 862 D HA 0.450 5.090 4.640 0.001 0.000 0.232 862 D C -0.388 175.778 176.300 -0.223 0.000 1.088 862 D CA -0.169 53.763 54.000 -0.113 0.000 0.835 862 D CB 0.988 41.790 40.800 0.004 0.000 1.078 862 D HN 0.590 nan 8.370 nan 0.000 0.495 863 H N 1.351 120.302 119.070 -0.199 0.000 2.473 863 H HA 0.384 4.940 4.556 0.001 0.000 0.327 863 H C -0.677 174.313 175.328 -0.564 0.000 1.105 863 H CA -0.257 55.674 56.048 -0.194 0.000 1.280 863 H CB 0.663 30.377 29.762 -0.081 0.000 1.450 863 H HN 0.302 nan 8.280 nan 0.000 0.492 864 Y N 0.575 120.793 120.300 -0.138 0.000 2.346 864 Y HA 0.343 4.893 4.550 0.001 0.000 0.332 864 Y C -0.116 175.521 175.900 -0.439 0.000 0.985 864 Y CA -0.931 57.061 58.100 -0.181 0.000 1.112 864 Y CB 1.714 40.179 38.460 0.008 0.000 1.170 864 Y HN 0.674 nan 8.280 nan 0.000 0.447 865 S N 1.512 116.995 115.700 -0.362 0.000 2.593 865 S HA 0.427 4.897 4.470 0.001 0.000 0.297 865 S C -0.601 174.063 174.600 0.106 0.000 1.112 865 S CA -0.918 57.091 58.200 -0.319 0.000 1.043 865 S CB 1.613 64.628 63.200 -0.308 0.000 1.054 865 S HN 0.621 nan 8.310 nan 0.000 0.516 866 N N 1.184 120.014 118.700 0.218 0.000 2.767 866 N HA 0.377 5.117 4.740 0.001 0.000 0.238 866 N C 0.862 176.485 175.510 0.188 0.000 1.083 866 N CA -0.237 52.918 53.050 0.175 0.000 0.964 866 N CB 0.837 39.403 38.487 0.131 0.000 1.252 866 N HN 0.760 nan 8.380 nan 0.000 0.512 867 A N 2.209 125.186 122.820 0.261 0.000 1.969 867 A HA 0.269 4.590 4.320 0.001 0.000 0.218 867 A C 1.314 178.996 177.584 0.163 0.000 1.169 867 A CA 1.364 53.589 52.037 0.313 0.000 0.635 867 A CB -0.851 18.416 19.000 0.444 0.000 0.810 867 A HN 0.869 nan 8.150 nan 0.000 0.445 868 G N 0.043 108.923 108.800 0.132 0.000 2.512 868 G HA2 -0.266 3.694 3.960 0.001 0.000 0.240 868 G HA3 -0.266 3.694 3.960 0.001 0.000 0.240 868 G C 0.195 175.182 174.900 0.146 0.000 1.246 868 G CA 0.434 45.573 45.100 0.065 0.000 0.919 868 G HN 1.176 nan 8.290 nan 0.000 0.577 869 N N 0.554 119.293 118.700 0.065 0.000 2.268 869 N HA 0.343 5.084 4.740 0.001 0.000 0.204 869 N C 0.488 176.062 175.510 0.107 0.000 1.124 869 N CA 1.184 54.271 53.050 0.062 0.000 0.838 869 N CB 0.085 38.514 38.487 -0.098 0.000 0.994 869 N HN 1.733 nan 8.380 nan 0.000 0.489 870 S N -1.590 114.155 115.700 0.076 0.000 2.615 870 S HA 0.502 4.973 4.470 0.001 0.000 0.269 870 S C 0.455 174.813 174.600 -0.404 0.000 1.161 870 S CA -0.903 57.245 58.200 -0.087 0.000 0.817 870 S CB 2.051 65.240 63.200 -0.017 0.000 1.131 870 S HN -0.020 nan 8.310 nan 0.000 0.467 871 R N 0.783 120.950 120.500 -0.554 0.000 2.075 871 R HA 0.094 4.435 4.340 0.001 0.000 0.230 871 R C 0.931 177.201 176.300 -0.050 0.000 1.140 871 R CA 1.771 57.560 56.100 -0.518 0.000 0.928 871 R CB -0.839 29.182 30.300 -0.465 0.000 0.834 871 R HN 0.927 nan 8.270 nan 0.000 0.429 872 D N -1.522 118.989 120.400 0.186 0.000 3.608 872 D HA -0.289 4.351 4.640 0.001 0.000 0.152 872 D C 0.147 176.674 176.300 0.380 0.000 0.971 872 D CA 2.047 56.218 54.000 0.286 0.000 1.072 872 D CB -0.904 40.021 40.800 0.208 0.000 0.507 872 D HN 0.101 nan 8.370 nan 0.000 0.520 873 L N 0.348 121.763 121.223 0.320 0.000 2.653 873 L HA 0.232 4.572 4.340 0.001 0.000 0.231 873 L C 1.956 178.911 176.870 0.142 0.000 1.153 873 L CA 0.136 55.176 54.840 0.334 0.000 0.933 873 L CB -0.002 42.310 42.059 0.423 0.000 1.175 873 L HN 0.183 nan 8.230 nan 0.000 0.473 874 S N -0.585 115.173 115.700 0.096 0.000 2.359 874 S HA -0.265 4.206 4.470 0.001 0.000 0.224 874 S C 1.872 176.413 174.600 -0.099 0.000 1.035 874 S CA 1.538 59.695 58.200 -0.071 0.000 1.018 874 S CB -0.259 62.984 63.200 0.071 0.000 0.876 874 S HN 0.567 nan 8.310 nan 0.000 0.448 875 H N 1.307 120.311 119.070 -0.110 0.000 2.319 875 H HA -0.030 4.527 4.556 0.001 0.000 0.297 875 H C 2.240 177.525 175.328 -0.071 0.000 1.097 875 H CA 1.973 57.949 56.048 -0.121 0.000 1.285 875 H CB -0.363 29.308 29.762 -0.152 0.000 1.368 875 H HN 0.233 nan 8.280 nan 0.000 0.495 876 S N -0.807 114.966 115.700 0.122 0.000 2.423 876 S HA -0.052 4.418 4.470 0.001 0.000 0.231 876 S C 2.160 176.776 174.600 0.027 0.000 1.014 876 S CA 1.074 59.407 58.200 0.221 0.000 0.965 876 S CB -0.109 63.418 63.200 0.544 0.000 0.785 876 S HN 0.359 nan 8.310 nan 0.000 0.495 877 I N 0.576 120.898 120.570 -0.413 0.000 2.286 877 I HA -0.152 4.019 4.170 0.001 0.000 0.245 877 I C 2.380 178.341 176.117 -0.260 0.000 1.104 877 I CA 0.917 61.816 61.300 -0.669 0.000 1.397 877 I CB -0.220 37.271 38.000 -0.848 0.000 1.072 877 I HN 0.278 nan 8.210 nan 0.000 0.417 878 M N 0.936 120.401 119.600 -0.226 0.000 2.117 878 M HA -0.216 4.264 4.480 0.001 0.000 0.262 878 M C 2.072 178.241 176.300 -0.218 0.000 1.065 878 M CA 1.874 57.068 55.300 -0.177 0.000 1.114 878 M CB -0.448 31.995 32.600 -0.260 0.000 1.361 878 M HN 0.122 nan 8.290 nan 0.000 0.408 879 E N -0.712 119.329 120.200 -0.265 0.000 2.049 879 E HA -0.291 4.060 4.350 0.001 0.000 0.198 879 E C 2.226 178.690 176.600 -0.227 0.000 1.007 879 E CA 1.685 57.923 56.400 -0.270 0.000 0.809 879 E CB -0.377 29.272 29.700 -0.086 0.000 0.749 879 E HN 0.530 nan 8.360 nan 0.000 0.450 880 R N 0.653 121.237 120.500 0.140 0.000 2.081 880 R HA -0.147 4.193 4.340 0.001 0.000 0.235 880 R C 2.289 178.785 176.300 0.327 0.000 1.131 880 R CA 1.303 57.648 56.100 0.408 0.000 0.960 880 R CB -0.221 30.367 30.300 0.480 0.000 0.856 880 R HN 0.151 nan 8.270 nan 0.000 0.436 881 A N 1.131 124.003 122.820 0.086 0.000 1.883 881 A HA -0.174 4.147 4.320 0.001 0.000 0.217 881 A C 2.189 179.757 177.584 -0.027 0.000 1.186 881 A CA 1.538 53.580 52.037 0.009 0.000 0.624 881 A CB -0.670 18.319 19.000 -0.019 0.000 0.822 881 A HN 0.371 nan 8.150 nan 0.000 0.444 882 L N -1.979 119.157 121.223 -0.144 0.000 2.131 882 L HA -0.114 4.226 4.340 0.001 0.000 0.210 882 L C 2.143 179.075 176.870 0.102 0.000 1.092 882 L CA 0.954 55.727 54.840 -0.112 0.000 0.759 882 L CB -0.501 41.456 42.059 -0.170 0.000 0.903 882 L HN 0.421 nan 8.230 nan 0.000 0.435 883 F N -1.244 118.748 119.950 0.069 0.000 2.771 883 F HA -0.101 4.426 4.527 0.001 0.000 0.299 883 F C 1.831 177.621 175.800 -0.017 0.000 1.177 883 F CA 0.392 58.329 58.000 -0.105 0.000 1.450 883 F CB -0.037 38.732 39.000 -0.385 0.000 1.114 883 F HN 0.231 nan 8.300 nan 0.000 0.587 884 H N -0.745 118.553 119.070 0.380 0.000 3.233 884 H HA 0.150 4.706 4.556 0.001 0.000 0.263 884 H C 1.902 177.314 175.328 0.140 0.000 1.168 884 H CA 0.231 56.421 56.048 0.236 0.000 1.159 884 H CB 0.025 29.826 29.762 0.066 0.000 1.593 884 H HN 0.392 nan 8.280 nan 0.000 0.580 885 M N 0.434 120.144 119.600 0.182 0.000 2.549 885 M HA -0.043 4.438 4.480 0.001 0.000 0.260 885 M C 1.001 177.395 176.300 0.157 0.000 1.076 885 M CA 1.482 56.882 55.300 0.165 0.000 1.090 885 M CB -0.103 32.610 32.600 0.188 0.000 1.418 885 M HN -0.086 nan 8.290 nan 0.000 0.486 886 D N -0.744 119.698 120.400 0.069 0.000 2.301 886 D HA -0.023 4.617 4.640 0.001 0.000 0.206 886 D C 0.942 177.327 176.300 0.142 0.000 0.979 886 D CA 0.473 54.565 54.000 0.153 0.000 0.874 886 D CB -0.504 40.412 40.800 0.193 0.000 0.968 886 D HN 0.493 nan 8.370 nan 0.000 0.510 887 N N -0.004 118.751 118.700 0.091 0.000 1.347 887 N HA -0.284 4.456 4.740 0.001 0.000 0.141 887 N C -0.360 175.085 175.510 -0.108 0.000 0.677 887 N CA 2.494 55.517 53.050 -0.046 0.000 1.016 887 N CB -1.313 37.067 38.487 -0.179 0.000 1.268 887 N HN 0.365 nan 8.380 nan 0.000 0.487 888 C N 0.339 119.261 119.300 -0.630 0.000 2.548 888 C HA 0.458 4.919 4.460 0.001 0.000 0.297 888 C C -0.821 173.696 174.990 -0.789 0.000 1.422 888 C CA -0.466 58.324 59.018 -0.381 0.000 1.785 888 C CB -2.089 25.497 27.740 -0.256 0.000 2.593 888 C HN 0.326 nan 8.230 nan 0.000 0.545 889 Y N 0.485 120.473 120.300 -0.519 0.000 2.331 889 Y HA 0.412 4.962 4.550 0.001 0.000 0.334 889 Y C 0.231 175.562 175.900 -0.949 0.000 0.960 889 Y CA -1.066 56.661 58.100 -0.622 0.000 1.130 889 Y CB 0.971 39.305 38.460 -0.210 0.000 1.164 889 Y HN -0.094 nan 8.280 nan 0.000 0.458 890 K N 3.876 123.805 120.400 -0.786 0.000 2.416 890 K HA 0.352 4.672 4.320 0.001 0.000 0.283 890 K C -1.419 175.066 176.600 -0.191 0.000 1.037 890 K CA 0.537 56.531 56.287 -0.487 0.000 0.995 890 K CB -0.060 32.278 32.500 -0.271 0.000 0.938 890 K HN 0.679 nan 8.250 nan 0.000 0.475 891 I N 8.217 128.734 120.570 -0.089 0.000 2.503 891 I HA 0.229 4.400 4.170 0.001 0.000 0.282 891 I C -1.822 174.267 176.117 -0.047 0.000 1.059 891 I CA -2.050 59.211 61.300 -0.065 0.000 1.081 891 I CB 2.154 40.125 38.000 -0.049 0.000 1.210 891 I HN 0.615 nan 8.210 nan 0.000 0.450 892 P HA -0.029 nan 4.420 nan 0.000 0.217 892 P C -0.393 176.870 177.300 -0.061 0.000 1.150 892 P CA 1.235 64.300 63.100 -0.059 0.000 0.832 892 P CB 0.216 31.872 31.700 -0.074 0.000 0.787 893 N N 0.037 118.674 118.700 -0.104 0.000 2.410 893 N HA 0.463 5.203 4.740 0.001 0.000 0.287 893 N C -0.980 174.447 175.510 -0.138 0.000 1.044 893 N CA -0.324 52.655 53.050 -0.118 0.000 0.881 893 N CB 2.444 40.821 38.487 -0.183 0.000 1.405 893 N HN -0.012 nan 8.380 nan 0.000 0.490 894 I N 0.725 121.258 120.570 -0.062 0.000 2.710 894 I HA 0.341 4.511 4.170 0.001 0.000 0.290 894 I C -1.605 174.532 176.117 0.032 0.000 1.318 894 I CA -0.547 60.733 61.300 -0.034 0.000 1.045 894 I CB 2.093 40.093 38.000 -0.000 0.000 1.307 894 I HN 0.382 nan 8.210 nan 0.000 0.424 895 R N 5.647 126.173 120.500 0.043 0.000 2.500 895 R HA 0.664 5.004 4.340 0.001 0.000 0.299 895 R C -1.450 174.909 176.300 0.098 0.000 1.038 895 R CA -0.557 55.592 56.100 0.081 0.000 0.903 895 R CB 1.882 32.230 30.300 0.079 0.000 1.177 895 R HN 0.808 nan 8.270 nan 0.000 0.455 896 G N 1.916 110.795 108.800 0.131 0.000 2.530 896 G HA2 0.473 4.434 3.960 0.001 0.000 0.316 896 G HA3 0.473 4.434 3.960 0.001 0.000 0.316 896 G C -0.617 174.370 174.900 0.144 0.000 1.298 896 G CA -0.400 44.803 45.100 0.172 0.000 0.948 896 G HN 0.551 nan 8.290 nan 0.000 0.486 897 T N -0.885 113.747 114.554 0.129 0.000 2.916 897 T HA 0.870 5.221 4.350 0.001 0.000 0.292 897 T C -0.011 174.708 174.700 0.032 0.000 1.064 897 T CA -0.511 61.608 62.100 0.031 0.000 1.011 897 T CB 2.337 71.172 68.868 -0.055 0.000 1.152 897 T HN 1.331 nan 8.240 nan 0.000 0.510 898 G N 0.373 109.098 108.800 -0.124 0.000 2.746 898 G HA2 0.623 4.584 3.960 0.001 0.000 0.297 898 G HA3 0.623 4.584 3.960 0.001 0.000 0.297 898 G C -1.730 172.984 174.900 -0.309 0.000 1.426 898 G CA -1.002 43.974 45.100 -0.206 0.000 0.989 898 G HN 0.768 nan 8.290 nan 0.000 0.520 899 R N 0.907 121.183 120.500 -0.374 0.000 2.574 899 R HA 0.587 4.928 4.340 0.001 0.000 0.288 899 R C -1.022 175.245 176.300 -0.055 0.000 1.004 899 R CA -0.723 55.203 56.100 -0.290 0.000 0.895 899 R CB 1.451 31.468 30.300 -0.473 0.000 1.191 899 R HN 0.429 nan 8.270 nan 0.000 0.444 900 L N 3.964 125.231 121.223 0.074 0.000 2.257 900 L HA 0.470 4.811 4.340 0.001 0.000 0.290 900 L C -0.436 176.654 176.870 0.368 0.000 1.044 900 L CA -0.890 54.073 54.840 0.204 0.000 0.810 900 L CB 1.468 43.670 42.059 0.238 0.000 1.193 900 L HN 0.582 nan 8.230 nan 0.000 0.425 901 C N 3.263 122.748 119.300 0.308 0.000 2.394 901 C HA 0.152 4.612 4.460 0.001 0.000 0.362 901 C C 0.836 175.840 174.990 0.022 0.000 1.268 901 C CA -0.773 58.352 59.018 0.178 0.000 1.828 901 C CB 0.108 27.925 27.740 0.129 0.000 2.442 901 C HN 0.670 nan 8.230 nan 0.000 0.549 902 K N 3.506 123.735 120.400 -0.285 0.000 2.273 902 K HA 0.336 4.657 4.320 0.001 0.000 0.287 902 K C 0.183 176.612 176.600 -0.285 0.000 1.089 902 K CA 0.263 56.228 56.287 -0.536 0.000 0.909 902 K CB 0.277 32.211 32.500 -0.944 0.000 1.123 902 K HN 0.909 nan 8.250 nan 0.000 0.473 903 T N 0.367 114.839 114.554 -0.136 0.000 2.906 903 T HA 0.289 4.640 4.350 0.001 0.000 0.295 903 T C -0.050 174.574 174.700 -0.125 0.000 1.061 903 T CA -1.111 60.908 62.100 -0.134 0.000 1.000 903 T CB 1.125 69.932 68.868 -0.102 0.000 1.103 903 T HN 0.406 nan 8.240 nan 0.000 0.486 904 N N 2.201 120.807 118.700 -0.155 0.000 3.193 904 N HA 0.268 5.009 4.740 0.001 0.000 0.312 904 N C -0.829 174.608 175.510 -0.123 0.000 1.261 904 N CA 0.124 53.084 53.050 -0.151 0.000 1.208 904 N CB -0.540 37.858 38.487 -0.149 0.000 1.471 904 N HN 0.523 nan 8.380 nan 0.000 0.548 905 L N -0.290 120.865 121.223 -0.112 0.000 2.424 905 L HA 0.262 4.603 4.340 0.001 0.000 0.258 905 L C 0.318 177.150 176.870 -0.064 0.000 0.995 905 L CA -0.854 53.918 54.840 -0.113 0.000 0.821 905 L CB 1.970 43.916 42.059 -0.187 0.000 1.383 905 L HN -0.026 nan 8.230 nan 0.000 0.410 906 S N 1.027 116.711 115.700 -0.027 0.000 2.715 906 S HA -0.090 4.381 4.470 0.001 0.000 0.318 906 S C 0.387 174.987 174.600 0.001 0.000 1.242 906 S CA 0.176 58.376 58.200 0.001 0.000 1.044 906 S CB 0.313 63.544 63.200 0.052 0.000 0.760 906 S HN 0.574 nan 8.310 nan 0.000 0.501 907 S N 4.285 119.988 115.700 0.005 0.000 2.629 907 S HA -0.006 4.464 4.470 0.001 0.000 0.302 907 S C 0.377 174.990 174.600 0.022 0.000 1.244 907 S CA -0.568 57.646 58.200 0.023 0.000 1.098 907 S CB -0.310 62.911 63.200 0.035 0.000 0.858 907 S HN 0.630 nan 8.310 nan 0.000 0.502 908 N N 3.289 121.952 118.700 -0.061 0.000 2.444 908 N HA 0.321 5.062 4.740 0.001 0.000 0.255 908 N C 0.306 175.836 175.510 0.033 0.000 1.255 908 N CA 0.024 52.960 53.050 -0.189 0.000 0.933 908 N CB 1.388 39.434 38.487 -0.734 0.000 1.143 908 N HN 0.709 nan 8.380 nan 0.000 0.453 909 T N -1.283 113.387 114.554 0.194 0.000 2.598 909 T HA 0.620 4.971 4.350 0.001 0.000 0.289 909 T C -1.300 173.675 174.700 0.459 0.000 1.056 909 T CA -0.508 61.815 62.100 0.372 0.000 1.088 909 T CB 0.429 69.478 68.868 0.302 0.000 1.519 909 T HN 0.470 nan 8.240 nan 0.000 0.488 910 A N 1.064 124.170 122.820 0.478 0.000 2.440 910 A HA 0.642 4.963 4.320 0.001 0.000 0.251 910 A C -0.871 177.102 177.584 0.648 0.000 1.089 910 A CA -0.095 52.298 52.037 0.595 0.000 0.779 910 A CB -0.565 18.853 19.000 0.696 0.000 1.022 910 A HN 0.677 nan 8.150 nan 0.000 0.492 911 F N 1.542 121.752 119.950 0.433 0.000 2.581 911 F HA 0.438 4.966 4.527 0.001 0.000 0.311 911 F C 0.612 176.564 175.800 0.253 0.000 1.113 911 F CA -1.144 57.055 58.000 0.332 0.000 0.935 911 F CB 1.382 40.415 39.000 0.055 0.000 1.232 911 F HN 0.731 nan 8.300 nan 0.000 0.445 912 R N 3.533 124.510 120.500 0.795 0.000 3.853 912 R HA 0.054 4.394 4.340 0.001 0.000 0.254 912 R C 0.781 177.230 176.300 0.247 0.000 0.565 912 R CA 1.895 58.266 56.100 0.452 0.000 1.000 912 R CB -0.741 29.836 30.300 0.461 0.000 0.943 912 R HN 1.064 nan 8.270 nan 0.000 0.331 913 G N 3.510 112.428 108.800 0.196 0.000 2.699 913 G HA2 -0.268 3.693 3.960 0.001 0.000 0.198 913 G HA3 -0.268 3.693 3.960 0.001 0.000 0.198 913 G C 0.178 175.304 174.900 0.377 0.000 1.033 913 G CA -0.181 45.006 45.100 0.145 0.000 0.728 913 G HN 0.697 nan 8.290 nan 0.000 0.484 914 F N 0.904 120.955 119.950 0.169 0.000 2.891 914 F HA 0.067 4.594 4.527 0.001 0.000 0.272 914 F C 1.794 177.653 175.800 0.097 0.000 1.004 914 F CA 2.513 60.618 58.000 0.175 0.000 0.938 914 F CB -0.987 38.140 39.000 0.211 0.000 0.939 914 F HN 2.037 nan 8.300 nan 0.000 0.833 915 G N -0.219 108.536 108.800 -0.075 0.000 2.363 915 G HA2 -0.310 3.651 3.960 0.001 0.000 0.238 915 G HA3 -0.310 3.651 3.960 0.001 0.000 0.238 915 G C 1.770 176.579 174.900 -0.151 0.000 1.062 915 G CA 0.912 45.894 45.100 -0.196 0.000 0.629 915 G HN 1.615 nan 8.290 nan 0.000 0.514 916 G N 2.241 111.031 108.800 -0.016 0.000 2.628 916 G HA2 -0.061 3.899 3.960 0.001 0.000 0.217 916 G HA3 -0.061 3.899 3.960 0.001 0.000 0.217 916 G C 0.160 174.991 174.900 -0.115 0.000 1.240 916 G CA 2.270 47.309 45.100 -0.101 0.000 0.792 916 G HN 0.561 nan 8.290 nan 0.000 0.593 917 P HA -0.169 nan 4.420 nan 0.000 0.217 917 P C 1.863 179.143 177.300 -0.035 0.000 1.158 917 P CA 1.834 64.937 63.100 0.005 0.000 0.887 917 P CB -0.119 31.590 31.700 0.015 0.000 0.792 918 Q N -0.516 119.149 119.800 -0.226 0.000 2.002 918 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 918 Q C 2.367 178.328 176.000 -0.066 0.000 0.988 918 Q CA 2.247 57.867 55.803 -0.306 0.000 0.843 918 Q CB -1.497 26.577 28.738 -1.108 0.000 0.908 918 Q HN 0.194 nan 8.270 nan 0.000 0.420 919 A N -0.001 122.755 122.820 -0.106 0.000 1.969 919 A HA -0.106 4.215 4.320 0.001 0.000 0.218 919 A C 2.035 179.619 177.584 0.000 0.000 1.169 919 A CA 1.058 53.143 52.037 0.080 0.000 0.635 919 A CB -0.590 18.442 19.000 0.053 0.000 0.810 919 A HN 0.329 nan 8.150 nan 0.000 0.445 920 L N -2.242 118.851 121.223 -0.216 0.000 2.109 920 L HA -0.072 4.269 4.340 0.001 0.000 0.207 920 L C 2.398 178.966 176.870 -0.502 0.000 1.086 920 L CA 1.132 55.606 54.840 -0.610 0.000 0.760 920 L CB -0.490 40.769 42.059 -1.333 0.000 0.910 920 L HN 0.491 nan 8.230 nan 0.000 0.437 921 F N 1.230 121.038 119.950 -0.237 0.000 2.046 921 F HA -0.264 4.263 4.527 0.001 0.000 0.297 921 F C 2.302 178.115 175.800 0.022 0.000 1.123 921 F CA 1.558 59.651 58.000 0.156 0.000 1.199 921 F CB -0.336 38.767 39.000 0.171 0.000 0.972 921 F HN -0.128 nan 8.300 nan 0.000 0.474 922 I N 0.662 121.228 120.570 -0.006 0.000 2.091 922 I HA -0.451 3.719 4.170 0.001 0.000 0.240 922 I C 2.703 178.558 176.117 -0.438 0.000 1.046 922 I CA 1.841 63.057 61.300 -0.140 0.000 1.306 922 I CB -1.171 36.916 38.000 0.146 0.000 1.018 922 I HN 0.310 nan 8.210 nan 0.000 0.404 923 A N -0.209 122.368 122.820 -0.405 0.000 1.933 923 A HA -0.193 4.128 4.320 0.001 0.000 0.218 923 A C 2.181 178.988 177.584 -1.294 0.000 1.175 923 A CA 1.570 53.050 52.037 -0.929 0.000 0.628 923 A CB -0.408 18.399 19.000 -0.321 0.000 0.814 923 A HN 0.389 nan 8.150 nan 0.000 0.444 924 E N -0.352 119.444 120.200 -0.674 0.000 2.358 924 E HA -0.103 4.247 4.350 0.001 0.000 0.195 924 E C 1.607 177.727 176.600 -0.801 0.000 1.010 924 E CA 0.743 56.730 56.400 -0.688 0.000 0.856 924 E CB -0.337 29.060 29.700 -0.505 0.000 0.795 924 E HN 0.733 nan 8.360 nan 0.000 0.504 925 N N 0.882 119.206 118.700 -0.627 0.000 2.092 925 N HA -0.127 4.613 4.740 0.001 0.000 0.189 925 N C 1.914 177.206 175.510 -0.364 0.000 1.040 925 N CA 1.752 54.575 53.050 -0.378 0.000 0.845 925 N CB -0.269 37.953 38.487 -0.443 0.000 1.017 925 N HN 0.312 nan 8.380 nan 0.000 0.426 926 W N -0.308 120.751 121.300 -0.402 0.000 2.374 926 W HA -0.117 4.544 4.660 0.001 0.000 0.288 926 W C 1.682 178.046 176.519 -0.258 0.000 1.218 926 W CA 0.294 57.446 57.345 -0.322 0.000 1.245 926 W CB -0.874 28.377 29.460 -0.349 0.000 1.126 926 W HN 0.169 nan 8.180 nan 0.000 0.545 927 M N 3.449 122.779 119.600 -0.451 0.000 2.086 927 M HA -0.199 4.281 4.480 0.001 0.000 0.261 927 M C 2.637 178.759 176.300 -0.298 0.000 1.067 927 M CA 3.026 58.077 55.300 -0.414 0.000 1.116 927 M CB -1.056 31.058 32.600 -0.810 0.000 1.348 927 M HN 0.082 nan 8.290 nan 0.000 0.407 928 S N -0.914 114.590 115.700 -0.326 0.000 2.419 928 S HA -0.181 4.289 4.470 0.001 0.000 0.235 928 S C 1.781 176.321 174.600 -0.101 0.000 1.019 928 S CA 1.639 59.720 58.200 -0.199 0.000 0.982 928 S CB -0.792 62.309 63.200 -0.165 0.000 0.789 928 S HN 0.708 nan 8.310 nan 0.000 0.490 929 E N 0.615 120.767 120.200 -0.080 0.000 2.112 929 E HA 0.005 4.355 4.350 0.001 0.000 0.190 929 E C 2.116 178.647 176.600 -0.114 0.000 0.979 929 E CA 0.909 57.294 56.400 -0.026 0.000 0.814 929 E CB -0.244 29.499 29.700 0.071 0.000 0.762 929 E HN 0.380 nan 8.360 nan 0.000 0.460 930 V N 1.497 121.249 119.914 -0.270 0.000 2.282 930 V HA -0.331 3.789 4.120 0.001 0.000 0.249 930 V C 2.337 178.236 176.094 -0.325 0.000 1.057 930 V CA 2.034 63.944 62.300 -0.651 0.000 1.032 930 V CB -0.751 30.623 31.823 -0.748 0.000 0.645 930 V HN 0.355 nan 8.190 nan 0.000 0.447 931 A N -0.701 122.011 122.820 -0.180 0.000 1.933 931 A HA -0.155 4.165 4.320 0.001 0.000 0.218 931 A C 2.358 179.939 177.584 -0.006 0.000 1.175 931 A CA 2.109 54.104 52.037 -0.069 0.000 0.628 931 A CB -0.551 18.420 19.000 -0.049 0.000 0.814 931 A HN 0.363 nan 8.150 nan 0.000 0.444 932 V N -0.852 119.062 119.914 0.001 0.000 2.407 932 V HA -0.149 3.972 4.120 0.001 0.000 0.245 932 V C 2.691 178.829 176.094 0.073 0.000 1.041 932 V CA 2.270 64.599 62.300 0.049 0.000 1.040 932 V CB -0.925 30.937 31.823 0.066 0.000 0.671 932 V HN 0.578 nan 8.190 nan 0.000 0.455 933 T N -1.239 113.363 114.554 0.080 0.000 2.788 933 T HA -0.208 4.143 4.350 0.001 0.000 0.268 933 T C 1.792 176.595 174.700 0.173 0.000 1.044 933 T CA 1.873 64.069 62.100 0.159 0.000 1.139 933 T CB -0.419 68.621 68.868 0.288 0.000 0.867 933 T HN 0.505 nan 8.240 nan 0.000 0.454 934 C N 0.859 120.249 119.300 0.151 0.000 2.500 934 C HA 0.372 4.833 4.460 0.001 0.000 0.273 934 C C 2.238 177.286 174.990 0.098 0.000 1.428 934 C CA -0.125 58.981 59.018 0.147 0.000 1.766 934 C CB -1.469 26.347 27.740 0.128 0.000 1.817 934 C HN 0.828 nan 8.230 nan 0.000 0.543 935 G N 0.716 109.566 108.800 0.082 0.000 2.203 935 G HA2 -0.268 3.693 3.960 0.001 0.000 0.263 935 G HA3 -0.268 3.693 3.960 0.001 0.000 0.263 935 G C 0.014 174.954 174.900 0.066 0.000 1.012 935 G CA 0.260 45.402 45.100 0.070 0.000 0.749 935 G HN 0.543 nan 8.290 nan 0.000 0.512 936 L N 0.076 121.338 121.223 0.065 0.000 2.416 936 L HA 0.527 4.867 4.340 0.001 0.000 0.262 936 L C -1.659 175.258 176.870 0.077 0.000 1.093 936 L CA -2.455 52.427 54.840 0.071 0.000 0.801 936 L CB 0.989 43.089 42.059 0.068 0.000 1.191 936 L HN -0.118 nan 8.230 nan 0.000 0.459 937 P HA 0.080 nan 4.420 nan 0.000 0.271 937 P C -0.153 177.222 177.300 0.125 0.000 1.218 937 P CA -0.191 62.985 63.100 0.126 0.000 0.780 937 P CB 0.957 32.759 31.700 0.170 0.000 0.901 938 A N 3.163 126.056 122.820 0.123 0.000 1.902 938 A HA -0.233 4.088 4.320 0.001 0.000 0.217 938 A C 1.746 179.424 177.584 0.157 0.000 1.181 938 A CA 1.799 53.896 52.037 0.099 0.000 0.623 938 A CB -1.127 17.922 19.000 0.082 0.000 0.818 938 A HN 0.618 nan 8.150 nan 0.000 0.443 939 E N 0.120 120.448 120.200 0.214 0.000 2.110 939 E HA -0.185 4.165 4.350 0.001 0.000 0.193 939 E C 1.866 178.700 176.600 0.390 0.000 0.988 939 E CA 1.291 57.896 56.400 0.341 0.000 0.804 939 E CB -0.329 29.466 29.700 0.158 0.000 0.745 939 E HN 0.813 nan 8.360 nan 0.000 0.458 940 E N 0.743 121.114 120.200 0.285 0.000 2.051 940 E HA -0.175 4.175 4.350 0.001 0.000 0.192 940 E C 1.994 178.727 176.600 0.222 0.000 0.991 940 E CA 1.333 57.896 56.400 0.271 0.000 0.799 940 E CB 0.113 29.933 29.700 0.200 0.000 0.748 940 E HN 0.144 nan 8.360 nan 0.000 0.449 941 V N 1.059 121.049 119.914 0.128 0.000 2.343 941 V HA -0.240 3.881 4.120 0.001 0.000 0.247 941 V C 2.433 178.501 176.094 -0.044 0.000 1.051 941 V CA 1.952 64.266 62.300 0.024 0.000 1.036 941 V CB -0.483 31.321 31.823 -0.032 0.000 0.654 941 V HN 0.243 nan 8.190 nan 0.000 0.451 942 R N -1.313 119.186 120.500 -0.001 0.000 2.066 942 R HA -0.162 4.178 4.340 0.001 0.000 0.232 942 R C 2.244 178.499 176.300 -0.074 0.000 1.131 942 R CA 1.731 57.785 56.100 -0.077 0.000 0.955 942 R CB -0.440 29.904 30.300 0.073 0.000 0.851 942 R HN 0.675 nan 8.270 nan 0.000 0.432 943 W N 2.546 123.660 121.300 -0.311 0.000 2.298 943 W HA -0.332 4.328 4.660 0.001 0.000 0.328 943 W C 1.529 177.943 176.519 -0.174 0.000 1.259 943 W CA 1.781 58.920 57.345 -0.343 0.000 1.251 943 W CB -0.173 29.201 29.460 -0.143 0.000 1.161 943 W HN 0.059 nan 8.180 nan 0.000 0.466 944 K N -0.222 120.099 120.400 -0.132 0.000 2.059 944 K HA -0.237 4.084 4.320 0.001 0.000 0.212 944 K C 1.410 177.853 176.600 -0.261 0.000 1.050 944 K CA 1.965 58.119 56.287 -0.222 0.000 0.927 944 K CB -0.618 31.841 32.500 -0.068 0.000 0.714 944 K HN 0.258 nan 8.250 nan 0.000 0.447 945 N N 0.324 118.904 118.700 -0.198 0.000 2.461 945 N HA 0.003 4.744 4.740 0.001 0.000 0.188 945 N C 0.237 175.681 175.510 -0.110 0.000 1.134 945 N CA 0.190 53.143 53.050 -0.162 0.000 0.878 945 N CB 0.209 38.568 38.487 -0.213 0.000 0.972 945 N HN 0.238 nan 8.380 nan 0.000 0.456 946 M N 0.980 120.465 119.600 -0.191 0.000 2.217 946 M HA 0.068 4.549 4.480 0.001 0.000 0.354 946 M C -0.244 175.883 176.300 -0.288 0.000 1.225 946 M CA -0.278 54.894 55.300 -0.212 0.000 1.137 946 M CB 0.571 32.966 32.600 -0.342 0.000 1.576 946 M HN 0.045 nan 8.290 nan 0.000 0.461 947 Y N 3.383 123.522 120.300 -0.269 0.000 2.861 947 Y HA -0.103 4.447 4.550 0.001 0.000 0.344 947 Y C 0.593 176.204 175.900 -0.482 0.000 1.272 947 Y CA 0.256 58.060 58.100 -0.494 0.000 1.502 947 Y CB 0.356 38.231 38.460 -0.977 0.000 1.333 947 Y HN 0.409 nan 8.280 nan 0.000 0.634 948 K N 1.803 122.057 120.400 -0.244 0.000 2.118 948 K HA 0.166 4.486 4.320 0.001 0.000 0.254 948 K C -0.620 175.812 176.600 -0.281 0.000 0.961 948 K CA -1.153 55.008 56.287 -0.210 0.000 0.876 948 K CB 1.427 33.838 32.500 -0.148 0.000 1.077 948 K HN 0.564 nan 8.250 nan 0.000 0.440 949 E N 0.241 120.372 120.200 -0.115 0.000 2.900 949 E HA -0.035 4.315 4.350 0.001 0.000 0.259 949 E C 0.864 177.393 176.600 -0.118 0.000 0.918 949 E CA 1.926 58.284 56.400 -0.070 0.000 0.960 949 E CB -0.333 29.376 29.700 0.014 0.000 0.908 949 E HN 0.751 nan 8.360 nan 0.000 0.511 950 G N 3.475 112.192 108.800 -0.138 0.000 2.195 950 G HA2 -0.316 3.644 3.960 0.001 0.000 0.246 950 G HA3 -0.316 3.644 3.960 0.001 0.000 0.246 950 G C 0.170 174.967 174.900 -0.173 0.000 0.984 950 G CA 0.110 45.135 45.100 -0.124 0.000 0.633 950 G HN 0.653 nan 8.290 nan 0.000 0.525 951 D N 0.047 120.293 120.400 -0.256 0.000 2.354 951 D HA 0.536 5.176 4.640 0.001 0.000 0.238 951 D C 0.904 177.003 176.300 -0.335 0.000 1.250 951 D CA 0.381 54.226 54.000 -0.258 0.000 0.911 951 D CB 0.494 41.158 40.800 -0.226 0.000 1.163 951 D HN 0.229 nan 8.370 nan 0.000 0.456 952 L N 0.951 122.014 121.223 -0.266 0.000 2.346 952 L HA 0.347 4.687 4.340 0.001 0.000 0.276 952 L C 0.699 177.373 176.870 -0.327 0.000 1.006 952 L CA -0.876 53.782 54.840 -0.304 0.000 0.817 952 L CB 1.684 43.632 42.059 -0.184 0.000 1.272 952 L HN 0.535 nan 8.230 nan 0.000 0.421 953 T N -2.379 111.848 114.554 -0.545 0.000 2.748 953 T HA -0.003 4.348 4.350 0.001 0.000 0.304 953 T C 1.591 176.111 174.700 -0.299 0.000 1.041 953 T CA -0.100 61.693 62.100 -0.512 0.000 1.033 953 T CB 0.484 68.667 68.868 -1.142 0.000 0.995 953 T HN 0.758 nan 8.240 nan 0.000 0.536 954 H N 0.880 119.894 119.070 -0.094 0.000 2.492 954 H HA -0.104 4.452 4.556 0.001 0.000 0.296 954 H C 1.240 176.626 175.328 0.095 0.000 1.095 954 H CA 1.660 57.734 56.048 0.043 0.000 1.281 954 H CB -0.817 29.039 29.762 0.156 0.000 1.374 954 H HN 0.820 nan 8.280 nan 0.000 0.545 955 F N 0.107 119.856 119.950 -0.336 0.000 2.641 955 F HA 0.383 4.910 4.527 0.001 0.000 0.302 955 F C -0.060 175.730 175.800 -0.017 0.000 1.098 955 F CA -0.885 57.029 58.000 -0.143 0.000 1.318 955 F CB -0.110 38.707 39.000 -0.305 0.000 1.035 955 F HN -0.141 nan 8.300 nan 0.000 0.551 956 N N 1.940 120.488 118.700 -0.254 0.000 2.771 956 N HA -0.240 4.500 4.740 0.001 0.000 0.249 956 N C -0.529 174.876 175.510 -0.175 0.000 1.069 956 N CA 0.866 53.818 53.050 -0.162 0.000 0.688 956 N CB -1.178 37.301 38.487 -0.014 0.000 0.928 956 N HN 0.782 nan 8.380 nan 0.000 0.551 957 Q N 0.217 119.794 119.800 -0.372 0.000 2.353 957 Q HA 0.448 4.789 4.340 0.001 0.000 0.268 957 Q C -0.241 175.636 176.000 -0.205 0.000 1.045 957 Q CA -0.855 54.842 55.803 -0.177 0.000 0.811 957 Q CB 1.775 30.508 28.738 -0.008 0.000 1.305 957 Q HN 0.279 nan 8.270 nan 0.000 0.447 958 R N 3.048 123.491 120.500 -0.096 0.000 2.449 958 R HA 0.181 4.522 4.340 0.001 0.000 0.296 958 R C -0.975 175.286 176.300 -0.065 0.000 1.047 958 R CA 0.145 56.181 56.100 -0.106 0.000 1.018 958 R CB 0.213 30.484 30.300 -0.048 0.000 0.962 958 R HN 0.571 nan 8.270 nan 0.000 0.428 959 L N 5.434 126.544 121.223 -0.188 0.000 2.302 959 L HA 0.277 4.618 4.340 0.001 0.000 0.285 959 L C -0.093 176.793 176.870 0.026 0.000 1.090 959 L CA -0.033 54.745 54.840 -0.103 0.000 0.866 959 L CB 0.788 42.599 42.059 -0.414 0.000 1.244 959 L HN 0.610 nan 8.230 nan 0.000 0.435 960 E N 2.014 122.294 120.200 0.133 0.000 2.204 960 E HA 0.471 4.822 4.350 0.001 0.000 0.276 960 E C 0.750 177.465 176.600 0.192 0.000 0.974 960 E CA -0.465 56.006 56.400 0.118 0.000 0.815 960 E CB 1.753 31.500 29.700 0.079 0.000 1.119 960 E HN 0.687 nan 8.360 nan 0.000 0.393 961 G N 2.522 111.407 108.800 0.142 0.000 2.198 961 G HA2 -0.321 3.639 3.960 0.001 0.000 0.260 961 G HA3 -0.321 3.639 3.960 0.001 0.000 0.260 961 G C -0.194 174.794 174.900 0.146 0.000 1.025 961 G CA -0.050 45.135 45.100 0.142 0.000 0.769 961 G HN 0.534 nan 8.290 nan 0.000 0.507 962 F N 2.612 122.503 119.950 -0.099 0.000 2.552 962 F HA 0.411 4.939 4.527 0.001 0.000 0.342 962 F C 1.539 177.029 175.800 -0.516 0.000 1.257 962 F CA 0.208 57.944 58.000 -0.441 0.000 1.058 962 F CB 0.281 39.090 39.000 -0.318 0.000 1.288 962 F HN 0.257 nan 8.300 nan 0.000 0.627 963 S N 2.409 117.495 115.700 -1.023 0.000 2.556 963 S HA 0.001 4.471 4.470 0.001 0.000 0.216 963 S C 1.694 175.979 174.600 -0.524 0.000 0.970 963 S CA 0.350 58.242 58.200 -0.513 0.000 0.912 963 S CB -0.457 62.641 63.200 -0.171 0.000 0.790 963 S HN 0.398 nan 8.310 nan 0.000 0.504 964 V N 2.949 122.275 119.914 -0.981 0.000 2.277 964 V HA -0.184 3.936 4.120 0.001 0.000 0.253 964 V C -0.298 175.748 176.094 -0.080 0.000 1.067 964 V CA 2.395 64.399 62.300 -0.494 0.000 1.047 964 V CB -1.958 29.465 31.823 -0.666 0.000 0.649 964 V HN 0.427 nan 8.190 nan 0.000 0.447 965 P HA -0.124 nan 4.420 nan 0.000 0.215 965 P C 1.767 179.203 177.300 0.227 0.000 1.157 965 P CA 1.430 64.686 63.100 0.260 0.000 0.863 965 P CB -0.151 31.717 31.700 0.280 0.000 0.787 966 R N -0.728 119.835 120.500 0.104 0.000 2.094 966 R HA -0.174 4.166 4.340 0.001 0.000 0.239 966 R C 2.368 178.714 176.300 0.077 0.000 1.137 966 R CA 2.001 58.147 56.100 0.076 0.000 0.943 966 R CB -1.566 28.752 30.300 0.031 0.000 0.850 966 R HN 0.235 nan 8.270 nan 0.000 0.433 967 C N -0.426 118.914 119.300 0.067 0.000 2.398 967 C HA -0.184 4.276 4.460 0.001 0.000 0.276 967 C C 2.432 177.490 174.990 0.114 0.000 1.222 967 C CA 0.340 59.402 59.018 0.073 0.000 1.746 967 C CB -1.200 26.586 27.740 0.075 0.000 2.039 967 C HN 0.671 nan 8.230 nan 0.000 0.470 968 W N 1.849 123.135 121.300 -0.025 0.000 2.378 968 W HA -0.107 4.553 4.660 0.001 0.000 0.313 968 W C 2.103 178.560 176.519 -0.103 0.000 1.197 968 W CA 1.715 59.034 57.345 -0.043 0.000 1.304 968 W CB -0.732 28.756 29.460 0.046 0.000 1.148 968 W HN 0.405 nan 8.180 nan 0.000 0.494 969 D N 0.085 120.565 120.400 0.134 0.000 2.104 969 D HA -0.242 4.399 4.640 0.001 0.000 0.194 969 D C 1.935 178.196 176.300 -0.065 0.000 0.994 969 D CA 1.856 55.851 54.000 -0.008 0.000 0.830 969 D CB -0.424 40.394 40.800 0.030 0.000 0.959 969 D HN 0.385 nan 8.370 nan 0.000 0.452 970 E N 0.078 120.261 120.200 -0.030 0.000 2.152 970 E HA -0.134 4.216 4.350 0.001 0.000 0.192 970 E C 2.195 178.746 176.600 -0.081 0.000 0.983 970 E CA 0.386 56.761 56.400 -0.041 0.000 0.818 970 E CB 0.022 29.713 29.700 -0.015 0.000 0.758 970 E HN 0.164 nan 8.360 nan 0.000 0.467 971 C N 0.350 119.578 119.300 -0.119 0.000 2.453 971 C HA -0.045 4.415 4.460 0.001 0.000 0.277 971 C C 2.590 177.439 174.990 -0.235 0.000 1.262 971 C CA 0.489 59.406 59.018 -0.169 0.000 1.718 971 C CB -1.116 26.506 27.740 -0.196 0.000 2.031 971 C HN 0.472 nan 8.230 nan 0.000 0.480 972 L N 0.669 121.679 121.223 -0.356 0.000 2.043 972 L HA -0.206 4.134 4.340 0.001 0.000 0.212 972 L C 2.774 179.554 176.870 -0.149 0.000 1.075 972 L CA 2.059 56.676 54.840 -0.372 0.000 0.752 972 L CB -0.660 41.119 42.059 -0.467 0.000 0.891 972 L HN 0.417 nan 8.230 nan 0.000 0.432 973 K N -0.287 120.054 120.400 -0.099 0.000 1.991 973 K HA -0.150 4.170 4.320 0.001 0.000 0.207 973 K C 2.394 178.975 176.600 -0.033 0.000 1.045 973 K CA 1.609 57.876 56.287 -0.033 0.000 0.937 973 K CB -0.058 32.426 32.500 -0.026 0.000 0.720 973 K HN 0.311 nan 8.250 nan 0.000 0.438 974 S N 0.225 115.896 115.700 -0.048 0.000 2.423 974 S HA -0.109 4.361 4.470 0.001 0.000 0.231 974 S C 1.915 176.489 174.600 -0.044 0.000 1.014 974 S CA 1.453 59.629 58.200 -0.041 0.000 0.965 974 S CB -0.314 62.860 63.200 -0.043 0.000 0.785 974 S HN 0.359 nan 8.310 nan 0.000 0.495 975 S N 0.877 116.542 115.700 -0.059 0.000 2.555 975 S HA 0.026 4.496 4.470 0.001 0.000 0.230 975 S C 0.776 175.356 174.600 -0.033 0.000 0.978 975 S CA 0.485 58.655 58.200 -0.050 0.000 0.934 975 S CB -0.881 62.282 63.200 -0.062 0.000 0.766 975 S HN 0.632 nan 8.310 nan 0.000 0.533 976 Q N -0.995 118.792 119.800 -0.021 0.000 2.481 976 Q HA -0.304 4.037 4.340 0.001 0.000 0.272 976 Q C 0.320 176.307 176.000 -0.021 0.000 1.157 976 Q CA 0.799 56.599 55.803 -0.005 0.000 0.935 976 Q CB -2.509 26.220 28.738 -0.016 0.000 1.338 976 Q HN 0.795 nan 8.270 nan 0.000 0.494 977 Y N -0.101 120.080 120.300 -0.198 0.000 2.030 977 Y HA -0.382 4.169 4.550 0.001 0.000 0.272 977 Y C 1.729 177.466 175.900 -0.272 0.000 1.185 977 Y CA 2.747 60.656 58.100 -0.318 0.000 1.120 977 Y CB -0.528 37.592 38.460 -0.566 0.000 0.955 977 Y HN 0.378 nan 8.280 nan 0.000 0.495 978 Y N -0.844 119.439 120.300 -0.029 0.000 2.293 978 Y HA -0.139 4.411 4.550 0.001 0.000 0.291 978 Y C 2.560 178.377 175.900 -0.138 0.000 1.137 978 Y CA 0.883 58.924 58.100 -0.098 0.000 1.202 978 Y CB -0.618 37.857 38.460 0.025 0.000 0.990 978 Y HN 0.260 nan 8.280 nan 0.000 0.537 979 A N -0.034 122.806 122.820 0.034 0.000 2.016 979 A HA -0.061 4.259 4.320 0.001 0.000 0.217 979 A C 2.155 179.702 177.584 -0.062 0.000 1.162 979 A CA 0.811 52.846 52.037 -0.003 0.000 0.662 979 A CB -0.216 18.788 19.000 0.007 0.000 0.812 979 A HN 0.319 nan 8.150 nan 0.000 0.450 980 R N -0.552 119.869 120.500 -0.130 0.000 2.140 980 R HA 0.036 4.376 4.340 0.001 0.000 0.213 980 R C 2.010 178.183 176.300 -0.212 0.000 1.059 980 R CA 0.897 56.903 56.100 -0.157 0.000 1.000 980 R CB -0.174 30.024 30.300 -0.169 0.000 0.910 980 R HN 0.444 nan 8.270 nan 0.000 0.455 981 K N 0.680 120.878 120.400 -0.337 0.000 2.362 981 K HA -0.044 4.276 4.320 0.001 0.000 0.200 981 K C 1.524 178.040 176.600 -0.140 0.000 1.046 981 K CA 1.004 57.100 56.287 -0.318 0.000 0.952 981 K CB 0.214 32.427 32.500 -0.478 0.000 0.753 981 K HN -0.007 nan 8.250 nan 0.000 0.466 982 S N 1.054 116.699 115.700 -0.092 0.000 2.348 982 S HA -0.057 4.413 4.470 0.001 0.000 0.219 982 S C 1.411 175.998 174.600 -0.023 0.000 1.033 982 S CA 0.878 59.056 58.200 -0.037 0.000 0.974 982 S CB -0.042 63.148 63.200 -0.016 0.000 0.868 982 S HN 0.391 nan 8.310 nan 0.000 0.459 983 E N 0.732 120.914 120.200 -0.029 0.000 2.209 983 E HA -0.113 4.238 4.350 0.001 0.000 0.196 983 E C 1.891 178.507 176.600 0.027 0.000 0.993 983 E CA 0.878 57.278 56.400 0.001 0.000 0.819 983 E CB -0.169 29.522 29.700 -0.015 0.000 0.745 983 E HN 0.226 nan 8.360 nan 0.000 0.477 984 V N 1.676 121.579 119.914 -0.019 0.000 2.255 984 V HA -0.235 3.886 4.120 0.001 0.000 0.243 984 V C 1.590 177.723 176.094 0.064 0.000 1.038 984 V CA 2.020 64.320 62.300 -0.001 0.000 1.008 984 V CB -0.427 31.353 31.823 -0.071 0.000 0.645 984 V HN 0.198 nan 8.190 nan 0.000 0.449 985 D N -0.047 120.365 120.400 0.020 0.000 2.172 985 D HA -0.231 4.410 4.640 0.001 0.000 0.196 985 D C 2.030 178.351 176.300 0.035 0.000 0.999 985 D CA 1.582 55.596 54.000 0.023 0.000 0.856 985 D CB -0.245 40.557 40.800 0.003 0.000 0.934 985 D HN 0.451 nan 8.370 nan 0.000 0.453 986 K N -0.313 120.114 120.400 0.046 0.000 1.985 986 K HA -0.147 4.173 4.320 0.001 0.000 0.210 986 K C 2.144 178.782 176.600 0.063 0.000 1.047 986 K CA 0.810 57.123 56.287 0.043 0.000 0.932 986 K CB -0.413 32.113 32.500 0.043 0.000 0.716 986 K HN 0.083 nan 8.250 nan 0.000 0.439 987 F N 2.124 122.055 119.950 -0.031 0.000 2.120 987 F HA -0.254 4.273 4.527 0.001 0.000 0.300 987 F C 1.696 177.477 175.800 -0.032 0.000 1.095 987 F CA 1.696 59.680 58.000 -0.026 0.000 1.249 987 F CB -0.181 38.805 39.000 -0.023 0.000 0.995 987 F HN 0.182 nan 8.300 nan 0.000 0.480 988 N N 0.504 119.324 118.700 0.199 0.000 2.309 988 N HA -0.122 4.619 4.740 0.001 0.000 0.182 988 N C 1.487 176.962 175.510 -0.058 0.000 1.018 988 N CA 1.113 54.213 53.050 0.082 0.000 0.876 988 N CB -0.255 38.278 38.487 0.078 0.000 0.972 988 N HN 0.396 nan 8.380 nan 0.000 0.434 989 K N 0.380 120.742 120.400 -0.065 0.000 2.361 989 K HA 0.097 4.417 4.320 0.001 0.000 0.196 989 K C 0.817 177.341 176.600 -0.126 0.000 1.039 989 K CA 0.521 56.755 56.287 -0.089 0.000 1.001 989 K CB 0.333 32.800 32.500 -0.056 0.000 0.795 989 K HN 0.291 nan 8.250 nan 0.000 0.495 990 E N 0.022 120.117 120.200 -0.175 0.000 2.489 990 E HA 0.093 4.444 4.350 0.001 0.000 0.204 990 E C -0.227 176.211 176.600 -0.270 0.000 1.006 990 E CA -0.017 56.265 56.400 -0.197 0.000 0.936 990 E CB 0.483 30.072 29.700 -0.184 0.000 1.002 990 E HN 0.138 nan 8.360 nan 0.000 0.488 991 N N -0.000 118.491 118.700 -0.347 0.000 2.258 991 N HA 0.143 4.883 4.740 0.001 0.000 0.299 991 N C -0.613 174.756 175.510 -0.236 0.000 1.047 991 N CA -0.318 52.519 53.050 -0.355 0.000 0.814 991 N CB 2.172 40.246 38.487 -0.687 0.000 1.413 991 N HN -0.045 nan 8.380 nan 0.000 0.478 992 C N 0.795 119.984 119.300 -0.186 0.000 2.464 992 C HA 0.273 4.734 4.460 0.001 0.000 0.348 992 C C 0.847 175.590 174.990 -0.412 0.000 1.367 992 C CA -0.190 58.619 59.018 -0.350 0.000 2.012 992 C CB -0.404 27.113 27.740 -0.372 0.000 2.434 992 C HN 0.877 nan 8.230 nan 0.000 0.536 993 W N 1.490 122.857 121.300 0.111 0.000 2.862 993 W HA 0.425 5.085 4.660 0.001 0.000 0.376 993 W C 0.416 176.999 176.519 0.105 0.000 1.028 993 W CA -0.302 57.124 57.345 0.134 0.000 1.757 993 W CB 0.222 29.735 29.460 0.088 0.000 1.128 993 W HN 0.014 nan 8.180 nan 0.000 0.566 994 K N 1.183 121.733 120.400 0.249 0.000 2.375 994 K HA 0.554 4.875 4.320 0.001 0.000 0.249 994 K C -0.173 176.605 176.600 0.295 0.000 0.942 994 K CA -0.853 55.597 56.287 0.272 0.000 0.806 994 K CB 2.085 34.785 32.500 0.334 0.000 1.227 994 K HN -0.415 nan 8.250 nan 0.000 0.430 995 K N 1.881 122.467 120.400 0.309 0.000 2.551 995 K HA 0.434 4.754 4.320 0.001 0.000 0.269 995 K C -0.938 175.748 176.600 0.143 0.000 0.949 995 K CA -0.847 55.608 56.287 0.280 0.000 0.849 995 K CB 2.427 35.001 32.500 0.123 0.000 1.411 995 K HN 0.515 nan 8.250 nan 0.000 0.432 996 R N -0.369 120.176 120.500 0.075 0.000 2.758 996 R HA 0.745 5.085 4.340 0.001 0.000 0.265 996 R C -0.035 176.241 176.300 -0.041 0.000 1.016 996 R CA -0.822 55.221 56.100 -0.096 0.000 1.040 996 R CB 1.798 31.928 30.300 -0.283 0.000 1.152 996 R HN 0.763 nan 8.270 nan 0.000 0.503 997 G N 0.736 109.497 108.800 -0.064 0.000 2.667 997 G HA2 0.583 4.544 3.960 0.001 0.000 0.298 997 G HA3 0.583 4.544 3.960 0.001 0.000 0.298 997 G C -2.133 172.740 174.900 -0.045 0.000 1.377 997 G CA -0.395 44.682 45.100 -0.037 0.000 0.964 997 G HN 0.349 nan 8.290 nan 0.000 0.493 998 L N 0.662 121.870 121.223 -0.025 0.000 2.445 998 L HA 0.871 5.211 4.340 0.001 0.000 0.262 998 L C -1.073 175.837 176.870 0.066 0.000 0.974 998 L CA -0.567 54.263 54.840 -0.017 0.000 0.822 998 L CB 2.046 44.039 42.059 -0.111 0.000 1.339 998 L HN 0.822 nan 8.230 nan 0.000 0.409 999 C N 5.070 124.433 119.300 0.105 0.000 2.891 999 C HA 0.664 5.124 4.460 0.001 0.000 0.342 999 C C -1.196 173.832 174.990 0.064 0.000 1.126 999 C CA -0.827 58.267 59.018 0.126 0.000 1.322 999 C CB 0.977 28.789 27.740 0.120 0.000 1.763 999 C HN 0.906 nan 8.230 nan 0.000 0.491 1000 I N 6.217 126.756 120.570 -0.052 0.000 2.406 1000 I HA 0.724 4.894 4.170 0.001 0.000 0.290 1000 I C -1.055 174.992 176.117 -0.117 0.000 0.999 1000 I CA -0.477 60.673 61.300 -0.250 0.000 1.124 1000 I CB 0.808 38.344 38.000 -0.773 0.000 1.289 1000 I HN 0.659 nan 8.210 nan 0.000 0.441 1001 I N 9.312 129.872 120.570 -0.016 0.000 2.619 1001 I HA 0.504 4.674 4.170 0.001 0.000 0.292 1001 I C -2.498 173.747 176.117 0.213 0.000 1.100 1001 I CA -1.866 59.507 61.300 0.121 0.000 1.043 1001 I CB 2.817 40.805 38.000 -0.020 0.000 1.239 1001 I HN 0.399 nan 8.210 nan 0.000 0.420 1002 P HA 0.405 nan 4.420 nan 0.000 0.283 1002 P C -0.924 176.546 177.300 0.285 0.000 1.278 1002 P CA -0.451 62.834 63.100 0.309 0.000 0.834 1002 P CB 2.233 34.097 31.700 0.273 0.000 1.150 1003 T N -1.105 113.614 114.554 0.275 0.000 2.853 1003 T HA 0.563 4.914 4.350 0.001 0.000 0.311 1003 T C -1.561 173.313 174.700 0.290 0.000 1.307 1003 T CA -0.700 61.588 62.100 0.313 0.000 1.019 1003 T CB 1.116 70.258 68.868 0.457 0.000 1.264 1003 T HN 0.662 nan 8.240 nan 0.000 0.497 1004 K N 1.787 122.361 120.400 0.291 0.000 2.435 1004 K HA 0.785 5.105 4.320 0.001 0.000 0.251 1004 K C -2.007 174.795 176.600 0.336 0.000 0.954 1004 K CA -0.881 55.574 56.287 0.279 0.000 0.820 1004 K CB 2.124 34.822 32.500 0.331 0.000 1.292 1004 K HN 0.442 nan 8.250 nan 0.000 0.436 1005 F N 0.884 120.902 119.950 0.113 0.000 2.585 1005 F HA 0.423 4.951 4.527 0.001 0.000 0.319 1005 F C -0.333 175.424 175.800 -0.071 0.000 1.165 1005 F CA -0.279 57.775 58.000 0.090 0.000 0.949 1005 F CB 2.132 41.086 39.000 -0.077 0.000 1.218 1005 F HN 0.803 nan 8.300 nan 0.000 0.453 1006 G N 6.524 114.879 108.800 -0.742 0.000 2.354 1006 G HA2 0.399 4.360 3.960 0.001 0.000 0.266 1006 G HA3 0.399 4.360 3.960 0.001 0.000 0.266 1006 G C -0.573 173.621 174.900 -1.177 0.000 1.242 1006 G CA -0.408 43.597 45.100 -1.824 0.000 0.923 1006 G HN 0.461 nan 8.290 nan 0.000 0.476 1007 I N 1.858 121.929 120.570 -0.832 0.000 2.301 1007 I HA 0.462 4.632 4.170 0.001 0.000 0.292 1007 I C 0.468 176.402 176.117 -0.307 0.000 1.046 1007 I CA 0.032 61.003 61.300 -0.549 0.000 1.282 1007 I CB -0.128 37.274 38.000 -0.997 0.000 1.409 1007 I HN 0.425 nan 8.210 nan 0.000 0.484 1008 S N 4.750 120.358 115.700 -0.153 0.000 2.799 1008 S HA 0.153 4.623 4.470 0.001 0.000 0.267 1008 S C -0.747 173.819 174.600 -0.058 0.000 0.736 1008 S CA -0.904 57.255 58.200 -0.067 0.000 1.070 1008 S CB 0.050 63.247 63.200 -0.006 0.000 1.339 1008 S HN 0.276 nan 8.310 nan 0.000 0.507 1009 F N 2.516 122.418 119.950 -0.079 0.000 2.538 1009 F HA 0.151 4.678 4.527 0.001 0.000 0.371 1009 F C 2.325 178.071 175.800 -0.090 0.000 1.087 1009 F CA 0.904 58.841 58.000 -0.106 0.000 1.250 1009 F CB 0.809 39.718 39.000 -0.152 0.000 1.110 1009 F HN 0.826 nan 8.300 nan 0.000 0.570 1010 T N -0.380 114.270 114.554 0.160 0.000 2.849 1010 T HA -0.092 4.258 4.350 0.001 0.000 0.270 1010 T C 0.679 175.437 174.700 0.096 0.000 1.066 1010 T CA 0.620 62.792 62.100 0.120 0.000 1.130 1010 T CB -0.503 68.557 68.868 0.320 0.000 0.864 1010 T HN 0.189 nan 8.240 nan 0.000 0.481 1011 V N 4.339 124.290 119.914 0.061 0.000 2.405 1011 V HA 0.192 4.312 4.120 0.001 0.000 0.264 1011 V C -1.154 174.803 176.094 -0.228 0.000 1.048 1011 V CA -1.456 60.762 62.300 -0.136 0.000 0.966 1011 V CB 1.047 32.649 31.823 -0.369 0.000 1.015 1011 V HN 0.280 nan 8.190 nan 0.000 0.477 1012 P HA -0.187 nan 4.420 nan 0.000 0.217 1012 P C 1.395 178.660 177.300 -0.059 0.000 1.148 1012 P CA 1.385 64.448 63.100 -0.062 0.000 0.828 1012 P CB 0.002 31.708 31.700 0.010 0.000 0.783 1013 F N -1.932 117.993 119.950 -0.042 0.000 2.710 1013 F HA 0.135 4.662 4.527 0.001 0.000 0.298 1013 F C 1.484 177.190 175.800 -0.156 0.000 1.137 1013 F CA 0.471 58.426 58.000 -0.074 0.000 1.444 1013 F CB -1.660 37.310 39.000 -0.049 0.000 1.111 1013 F HN -0.218 nan 8.300 nan 0.000 0.580 1014 L N 0.840 121.796 121.223 -0.445 0.000 2.478 1014 L HA -0.015 4.325 4.340 0.001 0.000 0.223 1014 L C 0.748 177.350 176.870 -0.448 0.000 1.140 1014 L CA 0.374 54.841 54.840 -0.622 0.000 0.842 1014 L CB -0.740 40.439 42.059 -1.466 0.000 0.953 1014 L HN 0.156 nan 8.230 nan 0.000 0.452 1015 N N 2.770 121.370 118.700 -0.166 0.000 3.103 1015 N HA 0.026 4.766 4.740 0.001 0.000 0.305 1015 N C -0.368 175.065 175.510 -0.127 0.000 1.232 1015 N CA 0.176 53.206 53.050 -0.033 0.000 1.190 1015 N CB 0.091 38.575 38.487 -0.006 0.000 1.461 1015 N HN 0.524 nan 8.380 nan 0.000 0.538 1016 Q N -0.911 118.788 119.800 -0.167 0.000 2.435 1016 Q HA 0.769 5.110 4.340 0.001 0.000 0.282 1016 Q C -2.055 173.719 176.000 -0.376 0.000 1.020 1016 Q CA -1.251 54.369 55.803 -0.305 0.000 0.820 1016 Q CB 2.087 30.763 28.738 -0.104 0.000 1.436 1016 Q HN 0.102 nan 8.270 nan 0.000 0.395 1017 A N 0.755 123.174 122.820 -0.669 0.000 2.532 1017 A HA 0.812 5.132 4.320 0.001 0.000 0.296 1017 A C -0.853 176.482 177.584 -0.416 0.000 1.058 1017 A CA -0.049 51.728 52.037 -0.434 0.000 0.729 1017 A CB 1.568 20.142 19.000 -0.709 0.000 1.285 1017 A HN 1.015 nan 8.150 nan 0.000 0.396 1018 G N -0.119 108.724 108.800 0.071 0.000 2.568 1018 G HA2 0.945 4.905 3.960 0.001 0.000 0.313 1018 G HA3 0.945 4.905 3.960 0.001 0.000 0.313 1018 G C -0.346 174.720 174.900 0.276 0.000 1.227 1018 G CA -0.059 45.186 45.100 0.242 0.000 0.979 1018 G HN 1.995 nan 8.290 nan 0.000 0.486 1019 A N -0.677 122.276 122.820 0.221 0.000 2.566 1019 A HA 0.818 5.138 4.320 0.001 0.000 0.292 1019 A C -1.824 175.815 177.584 0.091 0.000 1.112 1019 A CA -0.608 51.529 52.037 0.167 0.000 0.707 1019 A CB 2.102 21.191 19.000 0.148 0.000 1.302 1019 A HN 1.338 nan 8.150 nan 0.000 0.409 1020 L N 1.779 123.014 121.223 0.021 0.000 2.482 1020 L HA 0.612 4.952 4.340 0.001 0.000 0.269 1020 L C -1.572 175.161 176.870 -0.228 0.000 0.967 1020 L CA -0.160 54.627 54.840 -0.088 0.000 0.851 1020 L CB 1.482 43.489 42.059 -0.087 0.000 1.242 1020 L HN 0.595 nan 8.230 nan 0.000 0.404 1021 I N 3.983 124.399 120.570 -0.256 0.000 2.404 1021 I HA 0.446 4.617 4.170 0.001 0.000 0.293 1021 I C -0.552 175.316 176.117 -0.416 0.000 0.992 1021 I CA -0.616 60.517 61.300 -0.278 0.000 1.149 1021 I CB 1.489 39.444 38.000 -0.075 0.000 1.315 1021 I HN 0.550 nan 8.210 nan 0.000 0.446 1022 H N 4.817 123.831 119.070 -0.094 0.000 2.495 1022 H HA 0.547 5.103 4.556 0.001 0.000 0.348 1022 H C -0.670 174.484 175.328 -0.290 0.000 1.113 1022 H CA -0.794 55.089 56.048 -0.275 0.000 1.195 1022 H CB 2.703 32.147 29.762 -0.530 0.000 1.521 1022 H HN 0.225 nan 8.280 nan 0.000 0.509 1023 V N 4.471 124.307 119.914 -0.130 0.000 2.357 1023 V HA 0.208 4.328 4.120 0.001 0.000 0.284 1023 V C -0.315 175.669 176.094 -0.184 0.000 1.018 1023 V CA -0.782 61.489 62.300 -0.049 0.000 0.841 1023 V CB 0.159 32.038 31.823 0.094 0.000 0.991 1023 V HN 0.596 nan 8.190 nan 0.000 0.437 1024 Y N 1.892 122.236 120.300 0.073 0.000 2.340 1024 Y HA 0.228 4.779 4.550 0.001 0.000 0.327 1024 Y C 2.123 177.975 175.900 -0.080 0.000 1.321 1024 Y CA 0.126 58.213 58.100 -0.021 0.000 1.433 1024 Y CB 0.760 39.210 38.460 -0.017 0.000 1.373 1024 Y HN 0.712 nan 8.280 nan 0.000 0.538 1025 T N -3.478 111.088 114.554 0.021 0.000 3.085 1025 T HA -0.132 4.219 4.350 0.001 0.000 0.263 1025 T C 0.896 175.561 174.700 -0.058 0.000 1.127 1025 T CA 0.984 63.009 62.100 -0.124 0.000 1.103 1025 T CB -0.335 68.340 68.868 -0.322 0.000 0.921 1025 T HN 0.737 nan 8.240 nan 0.000 0.510 1026 D N 1.147 121.550 120.400 0.006 0.000 2.363 1026 D HA 0.153 4.794 4.640 0.001 0.000 0.226 1026 D C 1.729 178.068 176.300 0.066 0.000 1.020 1026 D CA 0.706 54.717 54.000 0.018 0.000 0.892 1026 D CB -0.755 40.057 40.800 0.020 0.000 0.900 1026 D HN 0.589 nan 8.370 nan 0.000 0.531 1027 G N 0.369 109.221 108.800 0.087 0.000 2.195 1027 G HA2 -0.297 3.663 3.960 0.001 0.000 0.246 1027 G HA3 -0.297 3.663 3.960 0.001 0.000 0.246 1027 G C 0.422 175.575 174.900 0.422 0.000 0.984 1027 G CA 0.480 45.710 45.100 0.218 0.000 0.633 1027 G HN 0.846 nan 8.290 nan 0.000 0.525 1028 S N -0.604 115.269 115.700 0.288 0.000 2.593 1028 S HA 0.688 5.158 4.470 0.001 0.000 0.269 1028 S C 0.043 174.836 174.600 0.322 0.000 1.334 1028 S CA 0.087 58.454 58.200 0.277 0.000 1.015 1028 S CB 2.335 65.652 63.200 0.196 0.000 0.912 1028 S HN 1.160 nan 8.310 nan 0.000 0.541 1029 V N 2.613 122.686 119.914 0.265 0.000 2.656 1029 V HA 0.551 4.671 4.120 0.001 0.000 0.307 1029 V C -0.740 175.486 176.094 0.220 0.000 1.051 1029 V CA -0.839 61.590 62.300 0.215 0.000 0.893 1029 V CB 1.448 33.370 31.823 0.164 0.000 0.999 1029 V HN 0.895 nan 8.190 nan 0.000 0.426 1030 L N 5.928 127.266 121.223 0.192 0.000 2.305 1030 L HA 0.733 5.073 4.340 0.001 0.000 0.284 1030 L C -0.600 176.300 176.870 0.051 0.000 1.013 1030 L CA -0.011 54.949 54.840 0.201 0.000 0.819 1030 L CB 1.716 43.986 42.059 0.353 0.000 1.227 1030 L HN 0.458 nan 8.230 nan 0.000 0.417 1031 V N 4.045 123.979 119.914 0.034 0.000 2.459 1031 V HA 0.661 4.781 4.120 0.001 0.000 0.295 1031 V C -0.055 176.031 176.094 -0.013 0.000 1.029 1031 V CA -0.399 61.901 62.300 0.001 0.000 0.874 1031 V CB 1.542 33.384 31.823 0.032 0.000 0.985 1031 V HN 0.840 nan 8.190 nan 0.000 0.438 1032 S N 3.946 119.635 115.700 -0.017 0.000 2.526 1032 S HA 0.761 5.231 4.470 0.001 0.000 0.293 1032 S C -0.949 173.675 174.600 0.040 0.000 1.092 1032 S CA -0.600 57.573 58.200 -0.045 0.000 0.980 1032 S CB 0.851 64.016 63.200 -0.059 0.000 1.048 1032 S HN 1.047 nan 8.310 nan 0.000 0.483 1033 H N 0.681 119.702 119.070 -0.081 0.000 2.966 1033 H HA 0.443 5.000 4.556 0.001 0.000 0.330 1033 H C 0.861 176.049 175.328 -0.233 0.000 1.292 1033 H CA -0.389 55.596 56.048 -0.104 0.000 1.127 1033 H CB 0.989 30.694 29.762 -0.095 0.000 1.863 1033 H HN 0.684 nan 8.280 nan 0.000 0.543 1034 G N -0.143 108.521 108.800 -0.227 0.000 2.509 1034 G HA2 0.046 4.007 3.960 0.001 0.000 0.218 1034 G HA3 0.046 4.007 3.960 0.001 0.000 0.218 1034 G C 0.729 175.300 174.900 -0.549 0.000 1.124 1034 G CA 0.431 45.381 45.100 -0.249 0.000 0.776 1034 G HN 0.807 nan 8.290 nan 0.000 0.547 1035 G N 0.028 108.185 108.800 -1.071 0.000 2.415 1035 G HA2 0.458 4.418 3.960 0.001 0.000 0.269 1035 G HA3 0.458 4.418 3.960 0.001 0.000 0.269 1035 G C 0.074 174.743 174.900 -0.385 0.000 1.209 1035 G CA 0.366 45.092 45.100 -0.622 0.000 0.835 1035 G HN 0.368 nan 8.290 nan 0.000 0.534 1036 T N -1.055 113.372 114.554 -0.212 0.000 2.895 1036 T HA 0.571 4.921 4.350 0.001 0.000 0.283 1036 T C -0.356 174.201 174.700 -0.238 0.000 1.014 1036 T CA -0.807 61.189 62.100 -0.173 0.000 1.037 1036 T CB 2.221 71.024 68.868 -0.108 0.000 1.006 1036 T HN 0.471 nan 8.240 nan 0.000 0.468 1037 E N 2.445 122.487 120.200 -0.263 0.000 2.174 1037 E HA 0.463 4.813 4.350 0.001 0.000 0.282 1037 E C 0.222 176.754 176.600 -0.113 0.000 0.992 1037 E CA -0.748 55.479 56.400 -0.288 0.000 0.803 1037 E CB 0.900 30.443 29.700 -0.261 0.000 1.090 1037 E HN 0.801 nan 8.360 nan 0.000 0.396 1038 M N 2.482 122.024 119.600 -0.096 0.000 2.511 1038 M HA 0.505 4.985 4.480 0.001 0.000 0.387 1038 M C 0.768 177.020 176.300 -0.079 0.000 1.112 1038 M CA 0.049 55.285 55.300 -0.107 0.000 0.921 1038 M CB 0.792 33.276 32.600 -0.192 0.000 1.501 1038 M HN 0.605 nan 8.290 nan 0.000 0.538 1039 G N 1.654 110.474 108.800 0.034 0.000 2.218 1039 G HA2 -0.258 3.703 3.960 0.001 0.000 0.216 1039 G HA3 -0.258 3.703 3.960 0.001 0.000 0.216 1039 G C 0.838 175.834 174.900 0.160 0.000 0.994 1039 G CA 0.413 45.576 45.100 0.106 0.000 0.637 1039 G HN 0.620 nan 8.290 nan 0.000 0.505 1040 Q N 1.444 121.290 119.800 0.075 0.000 2.451 1040 Q HA 0.325 4.666 4.340 0.001 0.000 0.206 1040 Q C 1.631 177.651 176.000 0.033 0.000 0.947 1040 Q CA 1.401 57.241 55.803 0.061 0.000 0.937 1040 Q CB -0.286 28.463 28.738 0.019 0.000 1.025 1040 Q HN 1.954 nan 8.270 nan 0.000 0.511 1041 G N 1.682 110.478 108.800 -0.006 0.000 2.137 1041 G HA2 -0.302 3.658 3.960 0.001 0.000 0.237 1041 G HA3 -0.302 3.658 3.960 0.001 0.000 0.237 1041 G C 0.412 175.209 174.900 -0.171 0.000 1.002 1041 G CA 0.347 45.321 45.100 -0.211 0.000 0.702 1041 G HN 0.356 nan 8.290 nan 0.000 0.515 1042 L N 0.667 121.798 121.223 -0.153 0.000 1.978 1042 L HA -0.145 4.195 4.340 0.001 0.000 0.218 1042 L C 2.697 179.502 176.870 -0.108 0.000 1.075 1042 L CA 3.181 57.933 54.840 -0.147 0.000 0.767 1042 L CB -0.698 41.249 42.059 -0.187 0.000 0.890 1042 L HN 0.481 nan 8.230 nan 0.000 0.434 1043 H N -1.058 117.993 119.070 -0.032 0.000 2.352 1043 H HA -0.122 4.435 4.556 0.001 0.000 0.299 1043 H C 2.155 177.424 175.328 -0.098 0.000 1.097 1043 H CA 1.896 57.924 56.048 -0.033 0.000 1.311 1043 H CB -1.045 28.680 29.762 -0.061 0.000 1.377 1043 H HN 0.397 nan 8.280 nan 0.000 0.504 1044 T N 1.408 115.920 114.554 -0.070 0.000 2.652 1044 T HA -0.143 4.208 4.350 0.001 0.000 0.267 1044 T C 2.034 176.703 174.700 -0.051 0.000 1.039 1044 T CA 1.645 63.684 62.100 -0.103 0.000 1.153 1044 T CB -0.038 68.699 68.868 -0.217 0.000 0.863 1044 T HN 0.388 nan 8.240 nan 0.000 0.428 1045 K N 0.271 120.638 120.400 -0.055 0.000 2.148 1045 K HA 0.036 4.357 4.320 0.001 0.000 0.204 1045 K C 2.288 178.881 176.600 -0.013 0.000 1.050 1045 K CA 0.949 57.220 56.287 -0.027 0.000 0.942 1045 K CB -0.131 32.352 32.500 -0.028 0.000 0.724 1045 K HN 0.217 nan 8.250 nan 0.000 0.446 1046 M N 0.354 119.938 119.600 -0.026 0.000 2.229 1046 M HA -0.086 4.395 4.480 0.001 0.000 0.264 1046 M C 2.180 178.481 176.300 0.002 0.000 1.063 1046 M CA 1.170 56.446 55.300 -0.040 0.000 1.114 1046 M CB -0.589 31.938 32.600 -0.121 0.000 1.387 1046 M HN -0.086 nan 8.290 nan 0.000 0.420 1047 V N 0.257 120.177 119.914 0.009 0.000 2.453 1047 V HA -0.234 3.886 4.120 0.001 0.000 0.247 1047 V C 2.335 178.436 176.094 0.011 0.000 1.048 1047 V CA 1.368 63.673 62.300 0.010 0.000 1.049 1047 V CB -0.625 31.200 31.823 0.003 0.000 0.672 1047 V HN 0.517 nan 8.190 nan 0.000 0.457 1048 Q N -0.736 119.070 119.800 0.011 0.000 2.167 1048 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 1048 Q C 2.314 178.344 176.000 0.050 0.000 0.970 1048 Q CA 1.470 57.281 55.803 0.014 0.000 0.855 1048 Q CB -0.193 28.548 28.738 0.005 0.000 0.911 1048 Q HN 0.535 nan 8.270 nan 0.000 0.438 1049 V N 0.785 120.752 119.914 0.088 0.000 2.323 1049 V HA -0.190 3.930 4.120 0.001 0.000 0.244 1049 V C 2.236 178.425 176.094 0.158 0.000 1.041 1049 V CA 1.701 64.116 62.300 0.192 0.000 1.025 1049 V CB -0.762 31.153 31.823 0.154 0.000 0.656 1049 V HN 0.357 nan 8.190 nan 0.000 0.451 1050 A N -0.588 122.277 122.820 0.076 0.000 1.972 1050 A HA -0.212 4.108 4.320 0.001 0.000 0.219 1050 A C 2.534 180.120 177.584 0.004 0.000 1.169 1050 A CA 2.101 54.162 52.037 0.041 0.000 0.635 1050 A CB -0.618 18.393 19.000 0.019 0.000 0.810 1050 A HN 0.505 nan 8.150 nan 0.000 0.446 1051 S N -0.646 115.050 115.700 -0.007 0.000 2.406 1051 S HA -0.137 4.333 4.470 0.001 0.000 0.228 1051 S C 2.028 176.604 174.600 -0.040 0.000 1.020 1051 S CA 1.695 59.863 58.200 -0.053 0.000 0.965 1051 S CB -0.235 62.938 63.200 -0.046 0.000 0.798 1051 S HN 0.643 nan 8.310 nan 0.000 0.488 1052 K N 0.490 120.896 120.400 0.011 0.000 2.044 1052 K HA 0.200 4.520 4.320 0.001 0.000 0.204 1052 K C 2.231 178.879 176.600 0.079 0.000 1.049 1052 K CA 0.981 57.274 56.287 0.009 0.000 0.945 1052 K CB -0.581 31.886 32.500 -0.055 0.000 0.724 1052 K HN 0.328 nan 8.250 nan 0.000 0.440 1053 A N 1.314 124.232 122.820 0.162 0.000 1.877 1053 A HA -0.104 4.216 4.320 0.001 0.000 0.216 1053 A C 2.067 179.668 177.584 0.027 0.000 1.186 1053 A CA 1.357 53.477 52.037 0.139 0.000 0.620 1053 A CB -0.641 18.415 19.000 0.094 0.000 0.822 1053 A HN 0.344 nan 8.150 nan 0.000 0.443 1054 L N -1.387 119.823 121.223 -0.023 0.000 2.313 1054 L HA -0.020 4.320 4.340 0.001 0.000 0.214 1054 L C 0.165 176.974 176.870 -0.102 0.000 1.119 1054 L CA 0.604 55.393 54.840 -0.084 0.000 0.809 1054 L CB -0.249 41.677 42.059 -0.222 0.000 0.933 1054 L HN 0.401 nan 8.230 nan 0.000 0.449 1055 K N 1.264 121.620 120.400 -0.073 0.000 3.244 1055 K HA -0.190 4.131 4.320 0.001 0.000 0.270 1055 K C -0.449 176.074 176.600 -0.127 0.000 1.016 1055 K CA 0.630 56.886 56.287 -0.051 0.000 0.754 1055 K CB -2.294 30.225 32.500 0.032 0.000 1.326 1055 K HN 0.509 nan 8.250 nan 0.000 0.465 1056 I N -4.160 116.268 120.570 -0.238 0.000 2.730 1056 I HA 0.588 4.758 4.170 0.001 0.000 0.298 1056 I C -2.622 173.376 176.117 -0.197 0.000 1.089 1056 I CA -3.176 57.933 61.300 -0.317 0.000 1.041 1056 I CB 2.145 39.722 38.000 -0.704 0.000 1.235 1056 I HN -0.274 nan 8.210 nan 0.000 0.423 1057 P HA 0.111 nan 4.420 nan 0.000 0.270 1057 P C 0.879 178.135 177.300 -0.074 0.000 1.221 1057 P CA -0.096 62.953 63.100 -0.085 0.000 0.788 1057 P CB 0.512 32.176 31.700 -0.060 0.000 0.904 1058 I N -1.065 119.482 120.570 -0.039 0.000 2.546 1058 I HA -0.147 4.023 4.170 0.001 0.000 0.255 1058 I C 1.748 177.870 176.117 0.009 0.000 1.163 1058 I CA 1.476 62.766 61.300 -0.017 0.000 1.457 1058 I CB -1.144 36.853 38.000 -0.005 0.000 1.092 1058 I HN 0.195 nan 8.210 nan 0.000 0.434 1059 S N 1.069 116.772 115.700 0.006 0.000 2.469 1059 S HA -0.084 4.386 4.470 0.001 0.000 0.238 1059 S C 1.772 176.387 174.600 0.026 0.000 0.998 1059 S CA 0.786 59.000 58.200 0.022 0.000 0.957 1059 S CB -0.581 62.624 63.200 0.009 0.000 0.764 1059 S HN 0.564 nan 8.310 nan 0.000 0.514 1060 K N 0.458 120.861 120.400 0.005 0.000 2.444 1060 K HA 0.348 4.668 4.320 0.001 0.000 0.193 1060 K C -0.046 176.592 176.600 0.063 0.000 1.024 1060 K CA 0.193 56.494 56.287 0.023 0.000 1.077 1060 K CB 0.065 32.546 32.500 -0.033 0.000 0.833 1060 K HN 0.490 nan 8.250 nan 0.000 0.517 1061 I N -0.207 120.405 120.570 0.070 0.000 2.603 1061 I HA 0.307 4.477 4.170 0.001 0.000 0.300 1061 I C -1.110 175.130 176.117 0.204 0.000 1.017 1061 I CA -1.336 60.029 61.300 0.108 0.000 1.098 1061 I CB 1.480 39.508 38.000 0.046 0.000 1.279 1061 I HN -0.159 nan 8.210 nan 0.000 0.437 1062 Y N 5.082 125.401 120.300 0.032 0.000 2.479 1062 Y HA 0.617 5.168 4.550 0.001 0.000 0.338 1062 Y C -1.308 174.589 175.900 -0.004 0.000 1.055 1062 Y CA -0.780 57.330 58.100 0.016 0.000 1.023 1062 Y CB 1.730 40.207 38.460 0.029 0.000 1.287 1062 Y HN 0.346 nan 8.280 nan 0.000 0.447 1063 I N 4.032 124.272 120.570 -0.549 0.000 2.433 1063 I HA 0.326 4.497 4.170 0.001 0.000 0.292 1063 I C 0.300 175.905 176.117 -0.854 0.000 1.001 1063 I CA -0.303 60.671 61.300 -0.544 0.000 1.119 1063 I CB 2.143 39.849 38.000 -0.489 0.000 1.289 1063 I HN 0.687 nan 8.210 nan 0.000 0.438 1064 S N 4.188 119.595 115.700 -0.488 0.000 2.620 1064 S HA 0.211 4.681 4.470 0.001 0.000 0.234 1064 S C 0.095 174.555 174.600 -0.234 0.000 1.064 1064 S CA 0.247 58.277 58.200 -0.284 0.000 0.920 1064 S CB 0.373 63.586 63.200 0.023 0.000 0.826 1064 S HN 0.818 nan 8.310 nan 0.000 0.557 1065 E N -0.753 119.314 120.200 -0.221 0.000 2.429 1065 E HA 0.387 4.737 4.350 0.001 0.000 0.280 1065 E C -1.689 174.804 176.600 -0.179 0.000 1.068 1065 E CA -0.935 55.373 56.400 -0.152 0.000 0.837 1065 E CB 0.872 30.545 29.700 -0.046 0.000 1.357 1065 E HN -0.032 nan 8.360 nan 0.000 0.455 1066 T N 1.338 115.812 114.554 -0.133 0.000 2.795 1066 T HA 0.582 4.933 4.350 0.001 0.000 0.282 1066 T C -0.619 174.017 174.700 -0.107 0.000 0.980 1066 T CA -0.415 61.590 62.100 -0.159 0.000 1.012 1066 T CB 1.019 69.790 68.868 -0.163 0.000 0.936 1066 T HN 0.556 nan 8.240 nan 0.000 0.457 1067 S N 0.508 116.149 115.700 -0.098 0.000 2.595 1067 S HA 0.475 4.946 4.470 0.001 0.000 0.281 1067 S C 1.035 175.597 174.600 -0.063 0.000 1.117 1067 S CA -0.628 57.525 58.200 -0.079 0.000 0.873 1067 S CB 1.470 64.631 63.200 -0.064 0.000 1.108 1067 S HN 0.676 nan 8.310 nan 0.000 0.477 1068 T N -1.141 113.375 114.554 -0.063 0.000 3.113 1068 T HA -0.015 4.335 4.350 0.001 0.000 0.256 1068 T C 1.076 175.760 174.700 -0.027 0.000 1.131 1068 T CA 0.959 63.032 62.100 -0.045 0.000 1.074 1068 T CB -0.764 68.070 68.868 -0.055 0.000 0.944 1068 T HN 0.722 nan 8.240 nan 0.000 0.516 1069 N N 1.549 120.234 118.700 -0.025 0.000 2.353 1069 N HA -0.021 4.720 4.740 0.001 0.000 0.185 1069 N C 1.465 176.986 175.510 0.018 0.000 1.098 1069 N CA 0.953 54.000 53.050 -0.005 0.000 0.872 1069 N CB -0.501 37.981 38.487 -0.007 0.000 0.970 1069 N HN 0.607 nan 8.380 nan 0.000 0.467 1070 T N -2.777 111.786 114.554 0.015 0.000 3.004 1070 T HA 0.249 4.599 4.350 0.001 0.000 0.243 1070 T C 0.483 175.204 174.700 0.034 0.000 1.020 1070 T CA 0.134 62.255 62.100 0.036 0.000 1.145 1070 T CB -0.231 68.654 68.868 0.028 0.000 0.876 1070 T HN -0.092 nan 8.240 nan 0.000 0.449 1071 V N 4.415 124.341 119.914 0.020 0.000 2.419 1071 V HA 0.501 4.621 4.120 0.001 0.000 0.287 1071 V C -2.617 173.502 176.094 0.042 0.000 1.017 1071 V CA -1.963 60.366 62.300 0.048 0.000 0.844 1071 V CB 1.706 33.561 31.823 0.055 0.000 1.011 1071 V HN 0.338 nan 8.190 nan 0.000 0.429 1072 P HA 0.399 nan 4.420 nan 0.000 0.280 1072 P C -0.199 177.135 177.300 0.057 0.000 1.272 1072 P CA -0.430 62.692 63.100 0.036 0.000 0.819 1072 P CB 0.599 32.315 31.700 0.027 0.000 1.122 1073 N N -2.042 116.675 118.700 0.028 0.000 2.710 1073 N HA -0.144 4.596 4.740 0.001 0.000 0.249 1073 N C -0.097 175.448 175.510 0.058 0.000 1.059 1073 N CA 1.050 54.117 53.050 0.029 0.000 0.720 1073 N CB -2.274 36.232 38.487 0.032 0.000 0.983 1073 N HN 0.631 nan 8.380 nan 0.000 0.544 1074 S N -1.991 113.744 115.700 0.057 0.000 2.585 1074 S HA 0.575 5.045 4.470 0.001 0.000 0.277 1074 S C 0.537 175.170 174.600 0.056 0.000 1.241 1074 S CA -0.689 57.568 58.200 0.094 0.000 1.041 1074 S CB 2.031 65.314 63.200 0.138 0.000 0.987 1074 S HN 0.161 nan 8.310 nan 0.000 0.512 1075 S N 3.390 119.125 115.700 0.058 0.000 2.579 1075 S HA 0.354 4.825 4.470 0.001 0.000 0.275 1075 S C -2.226 172.423 174.600 0.082 0.000 1.345 1075 S CA -0.683 57.496 58.200 -0.034 0.000 1.031 1075 S CB -0.199 62.872 63.200 -0.215 0.000 0.892 1075 S HN 0.673 nan 8.310 nan 0.000 0.529 1076 P HA 0.115 nan 4.420 nan 0.000 0.270 1076 P C -0.618 176.826 177.300 0.239 0.000 1.223 1076 P CA -0.226 62.952 63.100 0.131 0.000 0.785 1076 P CB 0.053 31.831 31.700 0.131 0.000 0.923 1077 T N 1.561 116.206 114.554 0.151 0.000 2.776 1077 T HA 0.539 4.890 4.350 0.001 0.000 0.292 1077 T C 0.086 174.851 174.700 0.107 0.000 0.921 1077 T CA 0.380 62.571 62.100 0.151 0.000 1.038 1077 T CB -0.713 68.185 68.868 0.049 0.000 0.910 1077 T HN 0.610 nan 8.240 nan 0.000 0.536 1078 A N 2.292 125.177 122.820 0.108 0.000 2.490 1078 A HA 0.759 5.080 4.320 0.001 0.000 0.292 1078 A C 0.427 177.816 177.584 -0.325 0.000 1.047 1078 A CA -0.266 51.755 52.037 -0.026 0.000 0.632 1078 A CB -0.153 18.884 19.000 0.061 0.000 1.323 1078 A HN 1.649 nan 8.150 nan 0.000 0.448 1079 A N -0.660 121.895 122.820 -0.442 0.000 2.899 1079 A HA 0.127 4.447 4.320 0.001 0.000 0.257 1079 A C 1.372 178.755 177.584 -0.336 0.000 1.335 1079 A CA 1.855 53.526 52.037 -0.611 0.000 0.924 1079 A CB -2.433 15.691 19.000 -1.461 0.000 1.105 1079 A HN 2.606 nan 8.150 nan 0.000 0.765 1080 S N -4.617 110.968 115.700 -0.191 0.000 2.981 1080 S HA -0.350 4.120 4.470 0.001 0.000 0.274 1080 S C 1.150 175.697 174.600 -0.089 0.000 1.297 1080 S CA 2.020 60.156 58.200 -0.106 0.000 1.266 1080 S CB -2.274 60.871 63.200 -0.092 0.000 1.542 1080 S HN 2.350 nan 8.310 nan 0.000 0.674 1081 V N -1.545 118.286 119.914 -0.138 0.000 3.542 1081 V HA 0.368 4.489 4.120 0.001 0.000 0.296 1081 V C 1.502 177.579 176.094 -0.029 0.000 1.364 1081 V CA 0.869 63.120 62.300 -0.082 0.000 1.118 1081 V CB 0.453 32.209 31.823 -0.112 0.000 0.972 1081 V HN 0.350 nan 8.190 nan 0.000 0.430 1082 S N 1.452 117.171 115.700 0.031 0.000 2.368 1082 S HA -0.158 4.312 4.470 0.001 0.000 0.224 1082 S C 1.959 176.633 174.600 0.123 0.000 1.029 1082 S CA 2.145 60.447 58.200 0.169 0.000 0.988 1082 S CB -0.419 62.956 63.200 0.291 0.000 0.838 1082 S HN 0.760 nan 8.310 nan 0.000 0.462 1083 T N 2.604 117.187 114.554 0.048 0.000 2.674 1083 T HA -0.120 4.231 4.350 0.001 0.000 0.265 1083 T C 1.449 176.117 174.700 -0.053 0.000 1.039 1083 T CA 1.508 63.609 62.100 0.002 0.000 1.150 1083 T CB -0.647 68.221 68.868 -0.001 0.000 0.864 1083 T HN 0.322 nan 8.240 nan 0.000 0.427 1084 D N 1.515 121.886 120.400 -0.049 0.000 2.127 1084 D HA -0.126 4.514 4.640 0.001 0.000 0.190 1084 D C 2.174 178.332 176.300 -0.236 0.000 1.000 1084 D CA 1.553 55.491 54.000 -0.103 0.000 0.839 1084 D CB -0.531 40.278 40.800 0.016 0.000 0.955 1084 D HN 0.572 nan 8.370 nan 0.000 0.446 1085 I N -2.635 117.801 120.570 -0.223 0.000 2.333 1085 I HA -0.132 4.038 4.170 0.001 0.000 0.246 1085 I C 2.134 177.996 176.117 -0.424 0.000 1.106 1085 I CA 0.864 61.973 61.300 -0.319 0.000 1.411 1085 I CB -0.721 37.111 38.000 -0.280 0.000 1.082 1085 I HN -0.086 nan 8.210 nan 0.000 0.420 1086 Y N 2.351 122.593 120.300 -0.097 0.000 2.314 1086 Y HA 0.062 4.612 4.550 0.001 0.000 0.293 1086 Y C 2.841 178.626 175.900 -0.192 0.000 1.129 1086 Y CA 1.066 59.081 58.100 -0.142 0.000 1.201 1086 Y CB -0.676 37.657 38.460 -0.211 0.000 0.999 1086 Y HN 0.213 nan 8.280 nan 0.000 0.541 1087 G N -0.260 108.475 108.800 -0.107 0.000 2.446 1087 G HA2 -0.341 3.619 3.960 0.001 0.000 0.217 1087 G HA3 -0.341 3.619 3.960 0.001 0.000 0.217 1087 G C 1.480 176.273 174.900 -0.179 0.000 1.168 1087 G CA 1.189 46.204 45.100 -0.142 0.000 0.771 1087 G HN 0.259 nan 8.290 nan 0.000 0.551 1088 Q N 0.493 120.092 119.800 -0.335 0.000 2.050 1088 Q HA 0.089 4.430 4.340 0.001 0.000 0.202 1088 Q C 2.815 178.760 176.000 -0.091 0.000 0.980 1088 Q CA 1.917 57.487 55.803 -0.388 0.000 0.840 1088 Q CB -0.693 27.417 28.738 -1.046 0.000 0.898 1088 Q HN 0.404 nan 8.270 nan 0.000 0.424 1089 A N -0.869 121.916 122.820 -0.058 0.000 1.933 1089 A HA -0.137 4.184 4.320 0.001 0.000 0.218 1089 A C 2.272 179.905 177.584 0.082 0.000 1.175 1089 A CA 1.651 53.725 52.037 0.061 0.000 0.628 1089 A CB -0.756 18.285 19.000 0.068 0.000 0.814 1089 A HN 0.266 nan 8.150 nan 0.000 0.444 1090 V N -1.590 118.358 119.914 0.057 0.000 2.323 1090 V HA -0.241 3.879 4.120 0.001 0.000 0.244 1090 V C 2.283 178.410 176.094 0.055 0.000 1.041 1090 V CA 1.942 64.272 62.300 0.051 0.000 1.025 1090 V CB -0.990 30.845 31.823 0.019 0.000 0.656 1090 V HN 0.707 nan 8.190 nan 0.000 0.451 1091 Y N 1.441 121.700 120.300 -0.068 0.000 2.069 1091 Y HA -0.304 4.247 4.550 0.001 0.000 0.278 1091 Y C 2.651 178.537 175.900 -0.022 0.000 1.175 1091 Y CA 2.302 60.359 58.100 -0.071 0.000 1.134 1091 Y CB -0.145 38.206 38.460 -0.181 0.000 0.965 1091 Y HN 0.266 nan 8.280 nan 0.000 0.498 1092 E N 0.313 120.554 120.200 0.067 0.000 2.051 1092 E HA -0.229 4.121 4.350 0.001 0.000 0.192 1092 E C 2.459 179.043 176.600 -0.026 0.000 0.991 1092 E CA 1.195 57.608 56.400 0.021 0.000 0.799 1092 E CB -0.905 28.874 29.700 0.132 0.000 0.748 1092 E HN 0.602 nan 8.360 nan 0.000 0.449 1093 A N 1.107 123.934 122.820 0.012 0.000 1.883 1093 A HA -0.216 4.104 4.320 0.001 0.000 0.217 1093 A C 2.693 180.267 177.584 -0.017 0.000 1.186 1093 A CA 1.617 53.662 52.037 0.013 0.000 0.624 1093 A CB -1.085 17.933 19.000 0.029 0.000 0.822 1093 A HN 0.356 nan 8.150 nan 0.000 0.444 1094 C N -0.825 118.445 119.300 -0.051 0.000 2.398 1094 C HA -0.166 4.294 4.460 0.001 0.000 0.276 1094 C C 2.943 177.874 174.990 -0.098 0.000 1.222 1094 C CA 1.300 60.280 59.018 -0.064 0.000 1.746 1094 C CB -1.219 26.456 27.740 -0.108 0.000 2.039 1094 C HN 0.623 nan 8.230 nan 0.000 0.470 1095 Q N 0.366 120.035 119.800 -0.220 0.000 2.077 1095 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 1095 Q C 2.196 178.160 176.000 -0.060 0.000 0.989 1095 Q CA 2.331 58.024 55.803 -0.183 0.000 0.853 1095 Q CB -1.377 27.219 28.738 -0.236 0.000 0.907 1095 Q HN 0.695 nan 8.270 nan 0.000 0.418 1096 T N 1.916 116.451 114.554 -0.032 0.000 2.635 1096 T HA -0.172 4.178 4.350 0.001 0.000 0.267 1096 T C 2.095 176.811 174.700 0.026 0.000 1.040 1096 T CA 1.540 63.643 62.100 0.005 0.000 1.156 1096 T CB -0.425 68.455 68.868 0.019 0.000 0.863 1096 T HN 0.190 nan 8.240 nan 0.000 0.430 1097 I N 0.757 121.354 120.570 0.044 0.000 2.118 1097 I HA -0.208 3.962 4.170 0.001 0.000 0.241 1097 I C 2.337 178.513 176.117 0.097 0.000 1.070 1097 I CA 1.409 62.761 61.300 0.086 0.000 1.327 1097 I CB -0.475 37.606 38.000 0.136 0.000 1.034 1097 I HN 0.196 nan 8.210 nan 0.000 0.405 1098 L N 0.026 121.302 121.223 0.088 0.000 2.079 1098 L HA -0.240 4.101 4.340 0.001 0.000 0.210 1098 L C 2.589 179.471 176.870 0.020 0.000 1.081 1098 L CA 1.107 55.989 54.840 0.071 0.000 0.752 1098 L CB -0.695 41.390 42.059 0.044 0.000 0.896 1098 L HN 0.182 nan 8.230 nan 0.000 0.433 1099 K N 0.443 120.847 120.400 0.007 0.000 2.026 1099 K HA -0.126 4.195 4.320 0.001 0.000 0.208 1099 K C 2.121 178.718 176.600 -0.004 0.000 1.048 1099 K CA 1.390 57.671 56.287 -0.010 0.000 0.929 1099 K CB -0.478 32.017 32.500 -0.008 0.000 0.713 1099 K HN 0.313 nan 8.250 nan 0.000 0.439 1100 R N 0.395 120.915 120.500 0.034 0.000 2.120 1100 R HA 0.022 4.362 4.340 0.001 0.000 0.234 1100 R C 2.285 178.673 176.300 0.147 0.000 1.123 1100 R CA 0.834 56.980 56.100 0.078 0.000 0.975 1100 R CB -0.206 30.149 30.300 0.092 0.000 0.866 1100 R HN 0.138 nan 8.270 nan 0.000 0.446 1101 L N -0.219 121.069 121.223 0.108 0.000 2.416 1101 L HA -0.002 4.338 4.340 0.001 0.000 0.216 1101 L C 2.203 179.070 176.870 -0.004 0.000 1.098 1101 L CA 0.281 55.212 54.840 0.151 0.000 0.840 1101 L CB -0.149 41.954 42.059 0.073 0.000 0.981 1101 L HN 0.057 nan 8.230 nan 0.000 0.462 1102 E N 1.357 121.501 120.200 -0.093 0.000 2.086 1102 E HA -0.214 4.136 4.350 0.001 0.000 0.200 1102 E C -0.705 175.741 176.600 -0.257 0.000 1.012 1102 E CA 1.986 58.276 56.400 -0.183 0.000 0.812 1102 E CB -1.070 28.552 29.700 -0.129 0.000 0.743 1102 E HN 0.261 nan 8.360 nan 0.000 0.453 1103 P HA -0.100 nan 4.420 nan 0.000 0.217 1103 P C 0.910 177.901 177.300 -0.516 0.000 1.150 1103 P CA 1.286 64.095 63.100 -0.485 0.000 0.832 1103 P CB -0.156 31.117 31.700 -0.711 0.000 0.787 1104 F N -0.332 119.529 119.950 -0.149 0.000 2.367 1104 F HA 0.064 4.591 4.527 0.000 0.000 0.298 1104 F C 2.338 177.976 175.800 -0.269 0.000 1.094 1104 F CA 0.804 58.730 58.000 -0.123 0.000 1.409 1104 F CB -0.640 38.331 39.000 -0.048 0.000 1.064 1104 F HN -0.214 nan 8.300 nan 0.000 0.528 1105 K N 0.885 121.014 120.400 -0.452 0.000 2.097 1105 K HA -0.177 4.144 4.320 0.001 0.000 0.206 1105 K C 1.949 178.348 176.600 -0.335 0.000 1.049 1105 K CA 1.255 56.997 56.287 -0.909 0.000 0.933 1105 K CB -0.026 31.906 32.500 -0.947 0.000 0.717 1105 K HN 0.235 nan 8.250 nan 0.000 0.442 1106 K N 0.604 120.874 120.400 -0.218 0.000 1.984 1106 K HA -0.130 4.191 4.320 0.001 0.000 0.209 1106 K C 2.018 178.599 176.600 -0.031 0.000 1.046 1106 K CA 1.517 57.739 56.287 -0.109 0.000 0.934 1106 K CB -0.026 32.400 32.500 -0.124 0.000 0.717 1106 K HN 0.030 nan 8.250 nan 0.000 0.438 1107 K N 0.415 120.804 120.400 -0.019 0.000 2.160 1107 K HA -0.157 4.164 4.320 0.001 0.000 0.206 1107 K C 0.875 177.537 176.600 0.103 0.000 1.047 1107 K CA 1.074 57.386 56.287 0.042 0.000 0.930 1107 K CB -0.087 32.453 32.500 0.067 0.000 0.720 1107 K HN 0.024 nan 8.250 nan 0.000 0.450 1108 N N -0.435 118.365 118.700 0.167 0.000 2.723 1108 N HA 0.153 4.893 4.740 0.001 0.000 0.290 1108 N C -2.559 173.189 175.510 0.397 0.000 1.882 1108 N CA -1.972 51.241 53.050 0.273 0.000 0.851 1108 N CB 1.001 39.697 38.487 0.349 0.000 1.234 1108 N HN -0.198 nan 8.380 nan 0.000 0.491 1109 P HA 0.044 nan 4.420 nan 0.000 0.230 1109 P C 0.468 177.977 177.300 0.349 0.000 1.158 1109 P CA 0.759 64.031 63.100 0.287 0.000 0.769 1109 P CB 0.502 32.288 31.700 0.143 0.000 0.807 1110 D N -0.680 119.872 120.400 0.253 0.000 2.333 1110 D HA 0.040 4.680 4.640 0.001 0.000 0.208 1110 D C 1.348 177.705 176.300 0.096 0.000 0.984 1110 D CA 0.410 54.506 54.000 0.160 0.000 0.873 1110 D CB -0.301 40.557 40.800 0.098 0.000 0.935 1110 D HN 0.056 nan 8.370 nan 0.000 0.521 1111 G N 0.912 109.794 108.800 0.137 0.000 2.562 1111 G HA2 0.168 4.128 3.960 0.001 0.000 0.233 1111 G HA3 0.168 4.128 3.960 0.001 0.000 0.233 1111 G C 0.471 175.004 174.900 -0.611 0.000 1.266 1111 G CA -0.052 44.938 45.100 -0.183 0.000 0.852 1111 G HN 0.170 nan 8.290 nan 0.000 0.581 1112 S N 1.649 117.011 115.700 -0.564 0.000 2.632 1112 S HA 0.124 4.594 4.470 0.001 0.000 0.267 1112 S C 1.201 175.279 174.600 -0.869 0.000 1.276 1112 S CA -0.412 57.444 58.200 -0.573 0.000 0.998 1112 S CB 0.991 64.041 63.200 -0.250 0.000 0.953 1112 S HN 0.830 nan 8.310 nan 0.000 0.547 1113 W N 1.659 122.519 121.300 -0.734 0.000 2.321 1113 W HA -0.229 4.431 4.660 0.000 0.000 0.306 1113 W C 1.125 177.534 176.519 -0.183 0.000 1.217 1113 W CA 2.291 59.407 57.345 -0.381 0.000 1.257 1113 W CB -0.562 28.841 29.460 -0.095 0.000 1.145 1113 W HN 0.854 nan 8.180 nan 0.000 0.509 1114 E N 0.784 120.902 120.200 -0.137 0.000 2.118 1114 E HA -0.217 4.133 4.350 0.001 0.000 0.195 1114 E C 1.703 178.175 176.600 -0.213 0.000 0.992 1114 E CA 2.051 58.348 56.400 -0.171 0.000 0.804 1114 E CB -0.669 29.003 29.700 -0.046 0.000 0.741 1114 E HN 0.258 nan 8.360 nan 0.000 0.458 1115 D N -0.487 119.765 120.400 -0.245 0.000 2.097 1115 D HA -0.150 4.491 4.640 0.001 0.000 0.197 1115 D C 1.697 177.950 176.300 -0.078 0.000 0.984 1115 D CA 0.805 54.705 54.000 -0.167 0.000 0.826 1115 D CB -0.295 40.396 40.800 -0.183 0.000 0.973 1115 D HN 0.268 nan 8.370 nan 0.000 0.460 1116 W N 1.435 122.653 121.300 -0.138 0.000 2.335 1116 W HA -0.123 4.538 4.660 0.001 0.000 0.311 1116 W C 2.457 178.769 176.519 -0.347 0.000 1.213 1116 W CA 0.174 57.416 57.345 -0.172 0.000 1.274 1116 W CB -1.410 27.982 29.460 -0.113 0.000 1.148 1116 W HN -0.135 nan 8.180 nan 0.000 0.498 1117 V N 0.548 120.299 119.914 -0.271 0.000 2.255 1117 V HA -0.351 3.769 4.120 0.001 0.000 0.247 1117 V C 2.308 178.273 176.094 -0.216 0.000 1.051 1117 V CA 2.331 64.413 62.300 -0.363 0.000 1.018 1117 V CB -1.037 30.466 31.823 -0.533 0.000 0.641 1117 V HN 0.049 nan 8.190 nan 0.000 0.445 1118 M N 0.822 120.327 119.600 -0.160 0.000 2.080 1118 M HA -0.144 4.336 4.480 0.001 0.000 0.260 1118 M C 2.105 178.345 176.300 -0.100 0.000 1.068 1118 M CA 2.289 57.546 55.300 -0.071 0.000 1.109 1118 M CB -0.985 31.583 32.600 -0.054 0.000 1.342 1118 M HN 0.282 nan 8.290 nan 0.000 0.405 1119 A N -0.484 122.228 122.820 -0.180 0.000 1.908 1119 A HA -0.036 4.284 4.320 0.001 0.000 0.218 1119 A C 2.365 179.564 177.584 -0.643 0.000 1.181 1119 A CA 2.379 54.244 52.037 -0.288 0.000 0.627 1119 A CB -1.475 17.414 19.000 -0.186 0.000 0.818 1119 A HN 0.660 nan 8.150 nan 0.000 0.445 1120 A N -1.702 120.580 122.820 -0.896 0.000 1.930 1120 A HA -0.063 4.258 4.320 0.001 0.000 0.217 1120 A C 2.127 179.490 177.584 -0.368 0.000 1.175 1120 A CA 1.638 53.070 52.037 -1.009 0.000 0.627 1120 A CB -0.746 17.856 19.000 -0.664 0.000 0.815 1120 A HN 0.750 nan 8.150 nan 0.000 0.443 1121 Y N 0.842 120.962 120.300 -0.299 0.000 2.145 1121 Y HA -0.223 4.328 4.550 0.000 0.000 0.286 1121 Y C 2.491 178.312 175.900 -0.131 0.000 1.145 1121 Y CA 2.179 60.179 58.100 -0.166 0.000 1.148 1121 Y CB -0.322 38.063 38.460 -0.124 0.000 0.981 1121 Y HN 0.376 nan 8.280 nan 0.000 0.507 1122 Q N -0.539 119.076 119.800 -0.308 0.000 2.226 1122 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 1122 Q C 1.039 176.888 176.000 -0.251 0.000 0.975 1122 Q CA 1.685 57.306 55.803 -0.303 0.000 0.866 1122 Q CB -0.364 28.294 28.738 -0.134 0.000 0.915 1122 Q HN 0.501 nan 8.270 nan 0.000 0.440 1123 D N 0.156 120.429 120.400 -0.212 0.000 2.325 1123 D HA 0.056 4.697 4.640 0.001 0.000 0.225 1123 D C -0.393 175.863 176.300 -0.074 0.000 1.096 1123 D CA -0.154 53.798 54.000 -0.080 0.000 0.844 1123 D CB 0.061 40.897 40.800 0.061 0.000 0.925 1123 D HN 0.078 nan 8.370 nan 0.000 0.513 1124 R N -0.814 119.576 120.500 -0.183 0.000 3.322 1124 R HA -0.145 4.195 4.340 0.001 0.000 0.253 1124 R C -0.651 175.627 176.300 -0.036 0.000 0.987 1124 R CA 0.060 56.076 56.100 -0.141 0.000 0.666 1124 R CB -2.269 27.963 30.300 -0.113 0.000 1.072 1124 R HN 0.020 nan 8.270 nan 0.000 0.447 1125 V N 0.996 120.903 119.914 -0.012 0.000 2.432 1125 V HA 0.140 4.260 4.120 0.001 0.000 0.275 1125 V C 1.012 177.133 176.094 0.046 0.000 1.043 1125 V CA -0.252 62.081 62.300 0.055 0.000 0.925 1125 V CB 1.812 33.724 31.823 0.149 0.000 0.985 1125 V HN 0.413 nan 8.190 nan 0.000 0.466 1126 S N 5.014 120.746 115.700 0.052 0.000 2.546 1126 S HA 0.191 4.662 4.470 0.001 0.000 0.290 1126 S C 0.244 174.877 174.600 0.056 0.000 1.290 1126 S CA -0.175 58.058 58.200 0.056 0.000 1.069 1126 S CB -0.050 63.180 63.200 0.050 0.000 0.846 1126 S HN 0.574 nan 8.310 nan 0.000 0.495 1127 L N 4.627 125.881 121.223 0.052 0.000 3.094 1127 L HA 0.355 4.696 4.340 0.001 0.000 0.254 1127 L C 0.323 177.225 176.870 0.052 0.000 1.298 1127 L CA -0.218 54.644 54.840 0.036 0.000 1.050 1127 L CB 0.435 42.495 42.059 0.001 0.000 1.420 1127 L HN 0.593 nan 8.230 nan 0.000 0.548 1128 S N -0.644 115.106 115.700 0.083 0.000 2.547 1128 S HA 0.738 5.209 4.470 0.001 0.000 0.281 1128 S C -0.672 173.984 174.600 0.093 0.000 1.118 1128 S CA -0.327 57.963 58.200 0.150 0.000 0.947 1128 S CB 2.079 65.426 63.200 0.245 0.000 1.053 1128 S HN 0.092 nan 8.310 nan 0.000 0.482 1129 T N 1.844 116.433 114.554 0.058 0.000 2.853 1129 T HA 0.663 5.013 4.350 0.001 0.000 0.311 1129 T C -0.457 174.261 174.700 0.030 0.000 1.307 1129 T CA -0.200 61.927 62.100 0.045 0.000 1.019 1129 T CB 1.476 70.369 68.868 0.041 0.000 1.264 1129 T HN 0.970 nan 8.240 nan 0.000 0.497 1130 T N 0.513 115.097 114.554 0.050 0.000 2.899 1130 T HA 0.763 5.113 4.350 0.001 0.000 0.284 1130 T C 0.517 175.273 174.700 0.093 0.000 1.004 1130 T CA -0.346 61.797 62.100 0.071 0.000 1.043 1130 T CB 1.179 70.098 68.868 0.085 0.000 1.013 1130 T HN 0.924 nan 8.240 nan 0.000 0.518 1131 G N -0.130 108.752 108.800 0.136 0.000 2.605 1131 G HA2 0.695 4.655 3.960 0.001 0.000 0.296 1131 G HA3 0.695 4.655 3.960 0.001 0.000 0.296 1131 G C -2.063 173.010 174.900 0.289 0.000 1.304 1131 G CA -0.934 44.266 45.100 0.167 0.000 0.941 1131 G HN 0.745 nan 8.290 nan 0.000 0.475 1132 F N -0.003 120.008 119.950 0.101 0.000 2.665 1132 F HA 0.649 5.176 4.527 0.001 0.000 0.308 1132 F C -1.962 173.942 175.800 0.173 0.000 1.112 1132 F CA -0.968 57.100 58.000 0.113 0.000 0.972 1132 F CB 2.188 41.228 39.000 0.068 0.000 1.295 1132 F HN 0.608 nan 8.300 nan 0.000 0.440 1133 Y N 4.428 124.430 120.300 -0.498 0.000 2.524 1133 Y HA 0.702 5.252 4.550 0.001 0.000 0.347 1133 Y C -1.557 174.099 175.900 -0.407 0.000 1.005 1133 Y CA -1.093 56.838 58.100 -0.281 0.000 1.025 1133 Y CB 1.680 39.996 38.460 -0.238 0.000 1.275 1133 Y HN 0.725 nan 8.280 nan 0.000 0.460 1134 R N 2.788 122.750 120.500 -0.897 0.000 2.532 1134 R HA 0.499 4.839 4.340 0.001 0.000 0.297 1134 R C -1.418 174.208 176.300 -1.123 0.000 0.984 1134 R CA -0.519 55.186 56.100 -0.659 0.000 0.884 1134 R CB 1.574 31.734 30.300 -0.233 0.000 1.182 1134 R HN 0.799 nan 8.270 nan 0.000 0.442 1135 T N 6.872 120.997 114.554 -0.715 0.000 2.779 1135 T HA 0.239 4.589 4.350 0.001 0.000 0.296 1135 T C -2.232 172.232 174.700 -0.394 0.000 0.938 1135 T CA -0.916 60.834 62.100 -0.583 0.000 1.119 1135 T CB 0.944 69.616 68.868 -0.326 0.000 0.891 1135 T HN 0.450 nan 8.240 nan 0.000 0.526 1136 P HA 0.284 nan 4.420 nan 0.000 0.277 1136 P C -0.177 177.083 177.300 -0.066 0.000 1.240 1136 P CA -0.515 62.490 63.100 -0.158 0.000 0.798 1136 P CB 0.422 32.084 31.700 -0.063 0.000 0.979 1137 N N -0.298 118.388 118.700 -0.023 0.000 2.780 1137 N HA -0.127 4.613 4.740 0.001 0.000 0.247 1137 N C -0.824 174.695 175.510 0.016 0.000 1.076 1137 N CA 0.784 53.845 53.050 0.018 0.000 0.688 1137 N CB -1.850 36.674 38.487 0.062 0.000 0.957 1137 N HN 0.447 nan 8.380 nan 0.000 0.551 1138 L N -0.716 120.498 121.223 -0.016 0.000 2.323 1138 L HA 0.851 5.192 4.340 0.001 0.000 0.265 1138 L C 0.870 177.728 176.870 -0.020 0.000 1.012 1138 L CA -0.688 54.135 54.840 -0.029 0.000 0.820 1138 L CB 2.149 44.174 42.059 -0.057 0.000 1.334 1138 L HN 0.234 nan 8.230 nan 0.000 0.427 1139 G N 1.186 109.972 108.800 -0.023 0.000 2.492 1139 G HA2 -0.066 3.894 3.960 0.001 0.000 0.283 1139 G HA3 -0.066 3.894 3.960 0.001 0.000 0.283 1139 G C -1.608 173.305 174.900 0.022 0.000 1.274 1139 G CA -0.823 44.282 45.100 0.008 0.000 1.215 1139 G HN 0.462 nan 8.290 nan 0.000 0.598 1140 Y N 2.154 122.390 120.300 -0.108 0.000 2.301 1140 Y HA 0.762 5.313 4.550 0.001 0.000 0.325 1140 Y C 0.289 176.167 175.900 -0.037 0.000 1.203 1140 Y CA -0.241 57.785 58.100 -0.123 0.000 1.255 1140 Y CB 2.057 40.356 38.460 -0.268 0.000 1.232 1140 Y HN 0.553 nan 8.280 nan 0.000 0.501 1141 S N 5.081 120.227 115.700 -0.923 0.000 2.519 1141 S HA 0.361 4.831 4.470 0.001 0.000 0.309 1141 S C 0.134 174.217 174.600 -0.862 0.000 1.100 1141 S CA -0.642 57.210 58.200 -0.581 0.000 1.059 1141 S CB 0.262 63.284 63.200 -0.297 0.000 1.008 1141 S HN 0.747 nan 8.310 nan 0.000 0.478 1142 F N 2.314 122.078 119.950 -0.310 0.000 2.234 1142 F HA 0.101 4.628 4.527 0.001 0.000 0.296 1142 F C 1.308 177.069 175.800 -0.066 0.000 1.089 1142 F CA 0.468 58.420 58.000 -0.080 0.000 1.343 1142 F CB 0.099 39.136 39.000 0.062 0.000 1.040 1142 F HN 0.597 nan 8.300 nan 0.000 0.498 1143 E N 0.384 120.636 120.200 0.088 0.000 2.129 1143 E HA 0.335 4.685 4.350 0.001 0.000 0.283 1143 E C 0.677 177.253 176.600 -0.039 0.000 1.080 1143 E CA 0.663 57.084 56.400 0.034 0.000 0.867 1143 E CB 0.669 30.392 29.700 0.037 0.000 1.056 1143 E HN 0.349 nan 8.360 nan 0.000 0.404 1144 T N 0.668 115.200 114.554 -0.037 0.000 6.560 1144 T HA -0.298 4.053 4.350 0.001 0.000 0.282 1144 T C 0.683 175.331 174.700 -0.086 0.000 2.166 1144 T CA 0.391 62.455 62.100 -0.060 0.000 3.676 1144 T CB -1.964 66.861 68.868 -0.072 0.000 0.961 1144 T HN 0.803 nan 8.240 nan 0.000 0.735 1145 N N 1.393 119.989 118.700 -0.173 0.000 2.696 1145 N HA -0.111 4.629 4.740 0.001 0.000 0.256 1145 N C -0.347 175.142 175.510 -0.036 0.000 1.031 1145 N CA 2.108 55.087 53.050 -0.118 0.000 0.730 1145 N CB -1.358 37.170 38.487 0.070 0.000 0.894 1145 N HN 2.033 nan 8.380 nan 0.000 0.544 1146 S N -1.290 114.278 115.700 -0.220 0.000 2.615 1146 S HA 0.813 5.283 4.470 0.001 0.000 0.268 1146 S C 0.101 174.669 174.600 -0.054 0.000 1.146 1146 S CA 0.036 58.219 58.200 -0.028 0.000 0.818 1146 S CB 1.335 64.511 63.200 -0.040 0.000 1.111 1146 S HN 1.666 nan 8.310 nan 0.000 0.465 1147 G N 1.325 110.148 108.800 0.038 0.000 2.722 1147 G HA2 -0.065 3.895 3.960 0.001 0.000 0.686 1147 G HA3 -0.065 3.895 3.960 0.001 0.000 0.686 1147 G C -1.020 173.949 174.900 0.114 0.000 1.282 1147 G CA -0.804 44.322 45.100 0.042 0.000 0.817 1147 G HN 1.005 nan 8.290 nan 0.000 0.605 1148 N N 0.554 119.285 118.700 0.051 0.000 2.447 1148 N HA 0.312 5.052 4.740 0.001 0.000 0.263 1148 N C 1.252 176.669 175.510 -0.156 0.000 1.226 1148 N CA 0.632 53.681 53.050 -0.001 0.000 0.906 1148 N CB 1.453 39.948 38.487 0.012 0.000 1.060 1148 N HN 1.070 nan 8.380 nan 0.000 0.468 1149 A N 2.823 125.373 122.820 -0.449 0.000 1.984 1149 A HA 0.201 4.521 4.320 0.001 0.000 0.214 1149 A C 0.168 177.013 177.584 -1.232 0.000 1.173 1149 A CA 0.634 51.996 52.037 -1.124 0.000 0.673 1149 A CB 0.149 17.705 19.000 -2.406 0.000 0.830 1149 A HN 0.561 nan 8.150 nan 0.000 0.453 1150 F N -3.590 116.107 119.950 -0.422 0.000 2.611 1150 F HA 0.488 5.016 4.527 0.001 0.000 0.324 1150 F C 0.990 176.625 175.800 -0.274 0.000 1.061 1150 F CA -0.740 56.981 58.000 -0.465 0.000 0.954 1150 F CB 1.092 39.586 39.000 -0.843 0.000 1.301 1150 F HN 0.106 nan 8.300 nan 0.000 0.482 1151 H N 0.093 119.082 119.070 -0.136 0.000 2.525 1151 H HA 0.144 4.700 4.556 0.001 0.000 0.275 1151 H C -1.041 174.368 175.328 0.134 0.000 0.984 1151 H CA 0.919 56.971 56.048 0.008 0.000 1.264 1151 H CB 0.179 29.999 29.762 0.097 0.000 1.432 1151 H HN 0.518 nan 8.280 nan 0.000 0.549 1152 Y N -4.531 115.622 120.300 -0.245 0.000 2.891 1152 Y HA 0.374 4.924 4.550 0.001 0.000 0.361 1152 Y C -1.910 173.690 175.900 -0.500 0.000 1.255 1152 Y CA -1.995 55.949 58.100 -0.259 0.000 1.103 1152 Y CB 0.355 38.717 38.460 -0.163 0.000 1.454 1152 Y HN -0.201 nan 8.280 nan 0.000 0.449 1153 F N 0.290 120.213 119.950 -0.045 0.000 2.538 1153 F HA 0.758 5.286 4.527 0.001 0.000 0.325 1153 F C 0.045 175.584 175.800 -0.436 0.000 1.066 1153 F CA -0.904 56.873 58.000 -0.371 0.000 0.946 1153 F CB 2.458 41.171 39.000 -0.478 0.000 1.199 1153 F HN 0.489 nan 8.300 nan 0.000 0.473 1154 T N 1.294 115.701 114.554 -0.246 0.000 2.859 1154 T HA 0.523 4.873 4.350 0.001 0.000 0.281 1154 T C -1.324 173.200 174.700 -0.294 0.000 1.005 1154 T CA -0.515 61.483 62.100 -0.171 0.000 1.025 1154 T CB 0.568 69.450 68.868 0.023 0.000 0.977 1154 T HN 0.300 nan 8.240 nan 0.000 0.458 1155 Y N 0.321 120.692 120.300 0.118 0.000 2.446 1155 Y HA 0.695 5.245 4.550 0.001 0.000 0.345 1155 Y C 0.663 176.595 175.900 0.055 0.000 0.984 1155 Y CA -0.898 57.232 58.100 0.049 0.000 1.058 1155 Y CB 2.509 40.922 38.460 -0.078 0.000 1.220 1155 Y HN 0.876 nan 8.280 nan 0.000 0.455 1156 G N 0.636 109.576 108.800 0.234 0.000 2.692 1156 G HA2 0.648 4.608 3.960 0.001 0.000 0.291 1156 G HA3 0.648 4.608 3.960 0.001 0.000 0.291 1156 G C -2.247 172.756 174.900 0.171 0.000 1.423 1156 G CA -0.769 44.432 45.100 0.169 0.000 0.843 1156 G HN 0.462 nan 8.290 nan 0.000 0.486 1157 V N -0.275 119.716 119.914 0.129 0.000 2.841 1157 V HA 0.875 4.995 4.120 0.001 0.000 0.310 1157 V C -0.114 176.008 176.094 0.047 0.000 1.090 1157 V CA -0.426 61.947 62.300 0.121 0.000 0.930 1157 V CB 1.664 33.570 31.823 0.139 0.000 1.014 1157 V HN 1.555 nan 8.190 nan 0.000 0.425 1158 A N 2.485 125.326 122.820 0.035 0.000 2.449 1158 A HA 0.819 5.139 4.320 0.001 0.000 0.302 1158 A C -0.981 176.589 177.584 -0.023 0.000 1.048 1158 A CA -0.480 51.568 52.037 0.018 0.000 0.708 1158 A CB 1.776 20.853 19.000 0.128 0.000 1.274 1158 A HN 1.228 nan 8.150 nan 0.000 0.410 1159 C N 1.775 121.051 119.300 -0.041 0.000 2.408 1159 C HA 0.879 5.340 4.460 0.001 0.000 0.321 1159 C C -0.231 174.770 174.990 0.018 0.000 1.245 1159 C CA -0.101 58.896 59.018 -0.035 0.000 1.523 1159 C CB 0.361 28.052 27.740 -0.081 0.000 2.178 1159 C HN 0.869 nan 8.230 nan 0.000 0.488 1160 S N 3.535 119.265 115.700 0.050 0.000 2.542 1160 S HA 0.586 5.057 4.470 0.001 0.000 0.293 1160 S C -1.306 173.309 174.600 0.024 0.000 1.089 1160 S CA -0.478 57.757 58.200 0.057 0.000 0.961 1160 S CB 1.687 64.960 63.200 0.121 0.000 1.062 1160 S HN 0.884 nan 8.310 nan 0.000 0.483 1161 E N 1.911 122.109 120.200 -0.003 0.000 2.199 1161 E HA 0.612 4.963 4.350 0.001 0.000 0.265 1161 E C -1.098 175.478 176.600 -0.041 0.000 0.882 1161 E CA -0.761 55.615 56.400 -0.039 0.000 0.759 1161 E CB 1.307 30.964 29.700 -0.071 0.000 1.148 1161 E HN 0.528 nan 8.360 nan 0.000 0.412 1162 V N 0.883 120.764 119.914 -0.054 0.000 3.074 1162 V HA 0.690 4.811 4.120 0.001 0.000 0.314 1162 V C -0.865 175.181 176.094 -0.080 0.000 1.117 1162 V CA -0.834 61.443 62.300 -0.039 0.000 1.014 1162 V CB 1.833 33.638 31.823 -0.030 0.000 1.057 1162 V HN 0.813 nan 8.190 nan 0.000 0.438 1163 E N 2.221 122.392 120.200 -0.049 0.000 2.241 1163 E HA 0.612 4.962 4.350 0.001 0.000 0.263 1163 E C -0.936 175.686 176.600 0.037 0.000 0.882 1163 E CA -0.913 55.444 56.400 -0.071 0.000 0.769 1163 E CB 2.033 31.633 29.700 -0.167 0.000 1.185 1163 E HN 0.969 nan 8.360 nan 0.000 0.415 1164 I N 0.576 121.179 120.570 0.056 0.000 2.664 1164 I HA 0.520 4.691 4.170 0.001 0.000 0.308 1164 I C -0.279 175.907 176.117 0.115 0.000 0.984 1164 I CA -0.796 60.560 61.300 0.094 0.000 1.213 1164 I CB 1.542 39.578 38.000 0.061 0.000 1.379 1164 I HN 0.390 nan 8.210 nan 0.000 0.501 1165 D N 4.358 124.822 120.400 0.108 0.000 2.485 1165 D HA 0.258 4.898 4.640 0.001 0.000 0.221 1165 D C 0.747 177.119 176.300 0.119 0.000 1.112 1165 D CA -0.539 53.529 54.000 0.113 0.000 0.911 1165 D CB 0.967 41.810 40.800 0.071 0.000 1.019 1165 D HN 0.736 nan 8.370 nan 0.000 0.516 1166 C N 2.956 122.360 119.300 0.174 0.000 2.401 1166 C HA -0.098 4.363 4.460 0.001 0.000 0.286 1166 C C 2.573 177.669 174.990 0.176 0.000 1.332 1166 C CA 0.115 59.249 59.018 0.193 0.000 1.795 1166 C CB -0.982 26.924 27.740 0.277 0.000 1.922 1166 C HN 0.658 nan 8.230 nan 0.000 0.520 1167 L N 0.884 122.184 121.223 0.128 0.000 2.341 1167 L HA -0.026 4.314 4.340 0.001 0.000 0.214 1167 L C 2.596 179.430 176.870 -0.060 0.000 1.115 1167 L CA 1.768 56.596 54.840 -0.021 0.000 0.820 1167 L CB -0.345 41.614 42.059 -0.166 0.000 0.944 1167 L HN 0.606 nan 8.230 nan 0.000 0.452 1168 T N -6.347 108.199 114.554 -0.013 0.000 2.964 1168 T HA 0.265 4.615 4.350 0.001 0.000 0.250 1168 T C 1.454 176.154 174.700 0.001 0.000 0.982 1168 T CA 0.592 62.676 62.100 -0.026 0.000 0.959 1168 T CB 1.053 69.901 68.868 -0.033 0.000 1.141 1168 T HN 0.257 nan 8.240 nan 0.000 0.494 1169 G N 1.434 110.251 108.800 0.030 0.000 2.199 1169 G HA2 -0.221 3.739 3.960 0.001 0.000 0.254 1169 G HA3 -0.221 3.739 3.960 0.001 0.000 0.254 1169 G C -0.152 174.788 174.900 0.067 0.000 0.982 1169 G CA 0.192 45.318 45.100 0.044 0.000 0.632 1169 G HN 0.764 nan 8.290 nan 0.000 0.529 1170 D N 1.279 121.706 120.400 0.045 0.000 2.361 1170 D HA 0.509 5.149 4.640 0.001 0.000 0.239 1170 D C 0.760 177.119 176.300 0.098 0.000 1.200 1170 D CA 0.582 54.601 54.000 0.032 0.000 0.915 1170 D CB 0.289 41.075 40.800 -0.025 0.000 1.170 1170 D HN 0.640 nan 8.370 nan 0.000 0.444 1171 H N -1.679 117.375 119.070 -0.026 0.000 3.017 1171 H HA 0.508 5.064 4.556 0.001 0.000 0.346 1171 H C -1.195 174.111 175.328 -0.036 0.000 1.286 1171 H CA -0.972 55.059 56.048 -0.029 0.000 1.120 1171 H CB 0.789 30.528 29.762 -0.039 0.000 1.860 1171 H HN 0.253 nan 8.280 nan 0.000 0.542 1172 K N 1.707 122.116 120.400 0.016 0.000 2.324 1172 K HA 0.323 4.643 4.320 0.001 0.000 0.253 1172 K C -0.759 175.874 176.600 0.055 0.000 0.932 1172 K CA -1.019 55.239 56.287 -0.048 0.000 0.799 1172 K CB 1.779 34.255 32.500 -0.042 0.000 1.154 1172 K HN 0.421 nan 8.250 nan 0.000 0.425 1173 N N 3.462 122.181 118.700 0.032 0.000 2.401 1173 N HA 0.104 4.845 4.740 0.001 0.000 0.255 1173 N C 0.496 175.998 175.510 -0.014 0.000 1.110 1173 N CA -0.018 53.056 53.050 0.040 0.000 0.949 1173 N CB 0.992 39.496 38.487 0.027 0.000 1.110 1173 N HN 0.510 nan 8.380 nan 0.000 0.490 1174 L N 1.448 122.657 121.223 -0.022 0.000 2.084 1174 L HA 0.150 4.491 4.340 0.001 0.000 0.202 1174 L C 1.070 177.921 176.870 -0.031 0.000 1.074 1174 L CA 0.810 55.626 54.840 -0.041 0.000 0.757 1174 L CB 0.113 42.128 42.059 -0.073 0.000 0.918 1174 L HN 0.406 nan 8.230 nan 0.000 0.444 1175 R N -0.950 119.535 120.500 -0.026 0.000 2.561 1175 R HA 0.375 4.715 4.340 0.001 0.000 0.266 1175 R C -1.676 174.620 176.300 -0.008 0.000 1.091 1175 R CA -0.281 55.811 56.100 -0.014 0.000 0.927 1175 R CB 2.035 32.322 30.300 -0.022 0.000 1.240 1175 R HN -0.198 nan 8.270 nan 0.000 0.449 1176 T N 2.706 117.261 114.554 0.001 0.000 2.881 1176 T HA 0.335 4.685 4.350 0.001 0.000 0.290 1176 T C -1.584 173.103 174.700 -0.022 0.000 1.000 1176 T CA -0.563 61.523 62.100 -0.023 0.000 0.978 1176 T CB 1.544 70.335 68.868 -0.129 0.000 0.997 1176 T HN 0.533 nan 8.240 nan 0.000 0.443 1177 D N 2.160 122.527 120.400 -0.054 0.000 2.502 1177 D HA 0.616 5.256 4.640 0.001 0.000 0.249 1177 D C -0.643 175.603 176.300 -0.091 0.000 1.092 1177 D CA -0.335 53.622 54.000 -0.071 0.000 0.839 1177 D CB 1.529 42.290 40.800 -0.065 0.000 1.264 1177 D HN 0.357 nan 8.370 nan 0.000 0.511 1178 I N 2.158 122.666 120.570 -0.103 0.000 2.499 1178 I HA 0.348 4.518 4.170 0.001 0.000 0.288 1178 I C -0.959 175.122 176.117 -0.060 0.000 1.048 1178 I CA -1.056 60.195 61.300 -0.082 0.000 1.062 1178 I CB 2.130 40.066 38.000 -0.107 0.000 1.238 1178 I HN 0.049 nan 8.210 nan 0.000 0.426 1179 V N 6.550 126.447 119.914 -0.029 0.000 2.326 1179 V HA 0.452 4.572 4.120 0.001 0.000 0.281 1179 V C 0.046 176.156 176.094 0.027 0.000 1.015 1179 V CA -0.417 61.877 62.300 -0.010 0.000 0.823 1179 V CB 1.351 33.165 31.823 -0.015 0.000 1.009 1179 V HN 0.599 nan 8.190 nan 0.000 0.436 1180 M N 3.429 123.046 119.600 0.028 0.000 2.336 1180 M HA 0.420 4.901 4.480 0.001 0.000 0.342 1180 M C -0.544 175.795 176.300 0.064 0.000 1.128 1180 M CA -0.584 54.751 55.300 0.058 0.000 1.016 1180 M CB 1.618 34.246 32.600 0.047 0.000 1.665 1180 M HN 0.710 nan 8.290 nan 0.000 0.445 1181 D N 2.797 123.259 120.400 0.102 0.000 2.456 1181 D HA 0.321 4.962 4.640 0.001 0.000 0.219 1181 D C 0.413 176.776 176.300 0.104 0.000 1.126 1181 D CA -0.383 53.685 54.000 0.112 0.000 0.890 1181 D CB 0.549 41.459 40.800 0.184 0.000 1.025 1181 D HN 0.385 nan 8.370 nan 0.000 0.511 1182 V N 2.015 121.970 119.914 0.069 0.000 3.121 1182 V HA 0.616 4.736 4.120 0.001 0.000 0.344 1182 V C 1.142 177.263 176.094 0.044 0.000 1.390 1182 V CA 0.303 62.640 62.300 0.061 0.000 1.177 1182 V CB -0.475 31.374 31.823 0.044 0.000 1.163 1182 V HN 0.676 nan 8.190 nan 0.000 0.484 1183 G N 1.499 110.324 108.800 0.041 0.000 2.552 1183 G HA2 -0.242 3.718 3.960 0.001 0.000 0.265 1183 G HA3 -0.242 3.718 3.960 0.001 0.000 0.265 1183 G C 0.003 174.907 174.900 0.006 0.000 1.234 1183 G CA 0.009 45.115 45.100 0.011 0.000 0.944 1183 G HN 1.092 nan 8.290 nan 0.000 0.568 1184 S N 0.447 116.145 115.700 -0.004 0.000 2.415 1184 S HA 0.550 5.020 4.470 0.001 0.000 0.313 1184 S C 0.524 175.125 174.600 0.002 0.000 1.067 1184 S CA 0.585 58.784 58.200 -0.002 0.000 1.099 1184 S CB 1.195 64.391 63.200 -0.006 0.000 0.991 1184 S HN 1.392 nan 8.310 nan 0.000 0.491 1185 S N 3.292 118.994 115.700 0.003 0.000 2.558 1185 S HA 0.126 4.596 4.470 0.001 0.000 0.288 1185 S C 1.240 175.842 174.600 0.003 0.000 1.318 1185 S CA -0.561 57.642 58.200 0.006 0.000 1.056 1185 S CB 0.086 63.288 63.200 0.003 0.000 0.853 1185 S HN 0.662 nan 8.310 nan 0.000 0.505 1186 L N 3.063 124.293 121.223 0.012 0.000 2.291 1186 L HA 0.158 4.498 4.340 0.001 0.000 0.214 1186 L C 1.170 178.038 176.870 -0.003 0.000 1.120 1186 L CA 0.462 55.309 54.840 0.013 0.000 0.799 1186 L CB -0.341 41.735 42.059 0.028 0.000 0.925 1186 L HN 0.684 nan 8.230 nan 0.000 0.446 1187 N N -0.886 117.812 118.700 -0.004 0.000 3.112 1187 N HA 0.081 4.822 4.740 0.001 0.000 0.231 1187 N C -2.342 173.166 175.510 -0.004 0.000 1.385 1187 N CA -0.757 52.289 53.050 -0.007 0.000 0.790 1187 N CB 1.376 39.859 38.487 -0.008 0.000 1.563 1187 N HN -0.288 nan 8.380 nan 0.000 0.613 1188 P HA -0.159 nan 4.420 nan 0.000 0.216 1188 P C 1.209 178.504 177.300 -0.009 0.000 1.154 1188 P CA 1.514 64.608 63.100 -0.010 0.000 0.865 1188 P CB 0.278 31.969 31.700 -0.014 0.000 0.789 1189 A N 0.047 122.864 122.820 -0.005 0.000 1.883 1189 A HA -0.193 4.128 4.320 0.001 0.000 0.217 1189 A C 2.194 179.784 177.584 0.011 0.000 1.186 1189 A CA 1.816 53.854 52.037 0.001 0.000 0.624 1189 A CB -1.460 17.546 19.000 0.010 0.000 0.822 1189 A HN 0.045 nan 8.150 nan 0.000 0.444 1190 I N 0.449 121.029 120.570 0.016 0.000 2.315 1190 I HA -0.170 4.001 4.170 0.001 0.000 0.248 1190 I C 1.644 177.775 176.117 0.025 0.000 1.117 1190 I CA 1.486 62.802 61.300 0.028 0.000 1.404 1190 I CB -1.598 36.410 38.000 0.014 0.000 1.071 1190 I HN 0.257 nan 8.210 nan 0.000 0.419 1191 D N 0.710 121.118 120.400 0.012 0.000 2.123 1191 D HA -0.034 4.607 4.640 0.001 0.000 0.200 1191 D C 2.427 178.729 176.300 0.004 0.000 0.976 1191 D CA 0.826 54.833 54.000 0.012 0.000 0.831 1191 D CB -0.050 40.756 40.800 0.009 0.000 0.974 1191 D HN 0.252 nan 8.370 nan 0.000 0.469 1192 I N 0.914 121.475 120.570 -0.015 0.000 2.208 1192 I HA -0.194 3.976 4.170 0.001 0.000 0.245 1192 I C 2.434 178.530 176.117 -0.036 0.000 1.097 1192 I CA 1.382 62.656 61.300 -0.045 0.000 1.363 1192 I CB -0.443 37.516 38.000 -0.069 0.000 1.051 1192 I HN 0.043 nan 8.210 nan 0.000 0.413 1193 G N -0.136 108.662 108.800 -0.004 0.000 2.422 1193 G HA2 -0.232 3.728 3.960 0.001 0.000 0.218 1193 G HA3 -0.232 3.728 3.960 0.001 0.000 0.218 1193 G C 1.581 176.517 174.900 0.060 0.000 1.146 1193 G CA 0.350 45.465 45.100 0.026 0.000 0.769 1193 G HN 0.287 nan 8.290 nan 0.000 0.547 1194 Q N 0.168 120.005 119.800 0.062 0.000 2.079 1194 Q HA -0.024 4.316 4.340 0.001 0.000 0.200 1194 Q C 3.009 179.061 176.000 0.088 0.000 0.974 1194 Q CA 0.873 56.726 55.803 0.083 0.000 0.840 1194 Q CB -0.812 27.965 28.738 0.064 0.000 0.898 1194 Q HN 0.390 nan 8.270 nan 0.000 0.430 1195 V N 1.554 121.503 119.914 0.059 0.000 2.233 1195 V HA -0.284 3.836 4.120 0.001 0.000 0.247 1195 V C 2.234 178.403 176.094 0.125 0.000 1.050 1195 V CA 2.110 64.453 62.300 0.072 0.000 1.010 1195 V CB -0.575 31.260 31.823 0.019 0.000 0.637 1195 V HN 0.404 nan 8.190 nan 0.000 0.444 1196 E N 0.029 120.267 120.200 0.063 0.000 2.070 1196 E HA -0.217 4.134 4.350 0.001 0.000 0.197 1196 E C 2.283 179.059 176.600 0.293 0.000 1.004 1196 E CA 1.422 57.904 56.400 0.137 0.000 0.805 1196 E CB -0.586 29.087 29.700 -0.045 0.000 0.744 1196 E HN 0.662 nan 8.360 nan 0.000 0.451 1197 G N 0.955 109.868 108.800 0.188 0.000 2.421 1197 G HA2 -0.268 3.692 3.960 0.001 0.000 0.216 1197 G HA3 -0.268 3.692 3.960 0.001 0.000 0.216 1197 G C 1.682 176.679 174.900 0.162 0.000 1.171 1197 G CA 0.966 46.169 45.100 0.173 0.000 0.775 1197 G HN 0.366 nan 8.290 nan 0.000 0.543 1198 A N 0.184 123.106 122.820 0.169 0.000 1.933 1198 A HA 0.092 4.413 4.320 0.001 0.000 0.218 1198 A C 2.173 179.841 177.584 0.140 0.000 1.175 1198 A CA 1.536 53.651 52.037 0.130 0.000 0.628 1198 A CB -0.507 18.559 19.000 0.109 0.000 0.814 1198 A HN 0.424 nan 8.150 nan 0.000 0.444 1199 F N 0.387 120.387 119.950 0.084 0.000 2.084 1199 F HA -0.132 4.395 4.527 0.001 0.000 0.296 1199 F C 2.210 178.038 175.800 0.047 0.000 1.111 1199 F CA 1.966 60.022 58.000 0.093 0.000 1.224 1199 F CB -0.244 38.858 39.000 0.171 0.000 0.991 1199 F HN 0.013 nan 8.300 nan 0.000 0.471 1200 V N 0.282 120.378 119.914 0.304 0.000 2.568 1200 V HA -0.326 3.794 4.120 0.001 0.000 0.253 1200 V C 2.278 178.311 176.094 -0.102 0.000 1.072 1200 V CA 2.284 64.633 62.300 0.082 0.000 1.084 1200 V CB -0.637 31.259 31.823 0.122 0.000 0.676 1200 V HN 0.480 nan 8.190 nan 0.000 0.469 1201 Q N -0.745 118.997 119.800 -0.096 0.000 2.212 1201 Q HA -0.035 4.305 4.340 0.001 0.000 0.199 1201 Q C 2.265 178.105 176.000 -0.266 0.000 0.950 1201 Q CA 1.170 56.870 55.803 -0.171 0.000 0.863 1201 Q CB -0.194 28.461 28.738 -0.137 0.000 0.944 1201 Q HN 0.689 nan 8.270 nan 0.000 0.465 1202 G N 1.152 109.802 108.800 -0.251 0.000 2.404 1202 G HA2 -0.250 3.710 3.960 0.001 0.000 0.215 1202 G HA3 -0.250 3.710 3.960 0.001 0.000 0.215 1202 G C 1.319 176.071 174.900 -0.247 0.000 1.174 1202 G CA 0.812 45.752 45.100 -0.267 0.000 0.780 1202 G HN 0.385 nan 8.290 nan 0.000 0.537 1203 L N 2.057 123.059 121.223 -0.368 0.000 2.051 1203 L HA 0.022 4.363 4.340 0.001 0.000 0.214 1203 L C 2.522 179.276 176.870 -0.193 0.000 1.076 1203 L CA 2.615 57.282 54.840 -0.289 0.000 0.758 1203 L CB -1.280 40.553 42.059 -0.377 0.000 0.890 1203 L HN 0.151 nan 8.230 nan 0.000 0.433 1204 G N -0.208 108.446 108.800 -0.243 0.000 2.433 1204 G HA2 -0.286 3.674 3.960 0.001 0.000 0.216 1204 G HA3 -0.286 3.674 3.960 0.001 0.000 0.216 1204 G C 1.591 176.296 174.900 -0.324 0.000 1.186 1204 G CA 0.905 45.850 45.100 -0.258 0.000 0.779 1204 G HN 0.482 nan 8.290 nan 0.000 0.543 1205 L N -0.328 120.613 121.223 -0.471 0.000 2.127 1205 L HA 0.104 4.445 4.340 0.001 0.000 0.211 1205 L C 2.151 178.597 176.870 -0.706 0.000 1.089 1205 L CA 1.581 56.010 54.840 -0.685 0.000 0.757 1205 L CB -0.500 40.957 42.059 -1.004 0.000 0.899 1205 L HN 0.263 nan 8.230 nan 0.000 0.434 1206 F N -1.711 118.063 119.950 -0.293 0.000 2.749 1206 F HA 0.092 4.620 4.527 0.001 0.000 0.300 1206 F C 1.761 177.520 175.800 -0.069 0.000 1.103 1206 F CA 0.621 58.459 58.000 -0.270 0.000 1.342 1206 F CB 0.002 38.834 39.000 -0.279 0.000 1.098 1206 F HN 0.279 nan 8.300 nan 0.000 0.586 1207 T N -5.232 109.342 114.554 0.032 0.000 3.211 1207 T HA 0.144 4.495 4.350 0.001 0.000 0.261 1207 T C 1.106 175.803 174.700 -0.005 0.000 0.880 1207 T CA 0.093 62.225 62.100 0.054 0.000 0.903 1207 T CB -0.156 68.756 68.868 0.074 0.000 1.264 1207 T HN -0.037 nan 8.240 nan 0.000 0.532 1208 L N 1.191 122.356 121.223 -0.097 0.000 2.349 1208 L HA 0.537 4.877 4.340 0.001 0.000 0.200 1208 L C 0.632 177.350 176.870 -0.252 0.000 1.064 1208 L CA 0.788 55.535 54.840 -0.154 0.000 0.821 1208 L CB -0.456 41.489 42.059 -0.189 0.000 1.027 1208 L HN 0.337 nan 8.230 nan 0.000 0.476 1209 E N 1.130 121.134 120.200 -0.328 0.000 2.223 1209 E HA 0.179 4.529 4.350 0.001 0.000 0.282 1209 E C -0.221 176.215 176.600 -0.274 0.000 1.046 1209 E CA 0.113 56.201 56.400 -0.519 0.000 0.857 1209 E CB 0.617 30.001 29.700 -0.527 0.000 1.055 1209 E HN 0.083 nan 8.360 nan 0.000 0.409 1210 E N 4.334 124.393 120.200 -0.234 0.000 2.316 1210 E HA 0.202 4.552 4.350 0.001 0.000 0.254 1210 E C -1.178 175.551 176.600 0.215 0.000 0.902 1210 E CA -0.473 55.944 56.400 0.028 0.000 0.801 1210 E CB 0.869 30.567 29.700 -0.003 0.000 1.270 1210 E HN 0.415 nan 8.360 nan 0.000 0.414 1211 L N 3.552 124.929 121.223 0.257 0.000 2.326 1211 L HA 0.390 4.731 4.340 0.001 0.000 0.278 1211 L C -0.153 176.754 176.870 0.063 0.000 1.092 1211 L CA -0.411 54.503 54.840 0.123 0.000 0.810 1211 L CB 0.678 42.759 42.059 0.036 0.000 1.153 1211 L HN 0.498 nan 8.230 nan 0.000 0.439 1212 H N 1.952 120.865 119.070 -0.262 0.000 2.759 1212 H HA 0.520 5.076 4.556 0.001 0.000 0.354 1212 H C -1.585 173.523 175.328 -0.366 0.000 1.074 1212 H CA -0.606 55.353 56.048 -0.148 0.000 1.226 1212 H CB 1.129 30.921 29.762 0.051 0.000 1.648 1212 H HN 0.313 nan 8.280 nan 0.000 0.529 1213 Y N 1.324 121.310 120.300 -0.524 0.000 2.549 1213 Y HA 0.375 4.925 4.550 0.001 0.000 0.339 1213 Y C 0.663 176.168 175.900 -0.659 0.000 1.053 1213 Y CA -0.764 57.030 58.100 -0.511 0.000 1.105 1213 Y CB 1.763 40.072 38.460 -0.251 0.000 1.258 1213 Y HN 0.709 nan 8.280 nan 0.000 0.478 1214 S N 0.874 116.284 115.700 -0.484 0.000 2.600 1214 S HA 0.197 4.667 4.470 0.001 0.000 0.265 1214 S C -2.042 172.515 174.600 -0.071 0.000 1.325 1214 S CA -0.957 57.128 58.200 -0.191 0.000 1.002 1214 S CB 1.041 64.164 63.200 -0.129 0.000 0.921 1214 S HN 0.479 nan 8.310 nan 0.000 0.554 1215 P HA -0.029 nan 4.420 nan 0.000 0.219 1215 P C 0.774 178.061 177.300 -0.022 0.000 1.146 1215 P CA 1.050 64.146 63.100 -0.007 0.000 0.808 1215 P CB -0.026 31.683 31.700 0.016 0.000 0.779 1216 E N -1.411 118.776 120.200 -0.021 0.000 2.274 1216 E HA 0.138 4.488 4.350 0.001 0.000 0.194 1216 E C 1.455 178.030 176.600 -0.042 0.000 0.996 1216 E CA 1.058 57.442 56.400 -0.027 0.000 0.840 1216 E CB -0.698 28.990 29.700 -0.020 0.000 0.772 1216 E HN 0.234 nan 8.360 nan 0.000 0.491 1217 G N -0.069 108.700 108.800 -0.053 0.000 2.148 1217 G HA2 -0.207 3.754 3.960 0.001 0.000 0.157 1217 G HA3 -0.207 3.754 3.960 0.001 0.000 0.157 1217 G C 0.127 175.027 174.900 0.001 0.000 1.012 1217 G CA 0.117 45.179 45.100 -0.064 0.000 0.677 1217 G HN 0.201 nan 8.290 nan 0.000 0.506 1218 S N 0.014 115.701 115.700 -0.022 0.000 2.442 1218 S HA 0.657 5.128 4.470 0.001 0.000 0.297 1218 S C 0.314 174.854 174.600 -0.099 0.000 1.131 1218 S CA -0.619 57.566 58.200 -0.025 0.000 1.092 1218 S CB 0.939 64.103 63.200 -0.060 0.000 0.998 1218 S HN 1.099 nan 8.310 nan 0.000 0.478 1219 L N 6.088 127.323 121.223 0.020 0.000 2.455 1219 L HA 0.289 4.629 4.340 0.001 0.000 0.272 1219 L C 0.865 177.638 176.870 -0.161 0.000 1.174 1219 L CA 0.778 55.503 54.840 -0.192 0.000 0.869 1219 L CB 0.376 42.366 42.059 -0.115 0.000 1.130 1219 L HN 0.785 nan 8.230 nan 0.000 0.474 1220 H N 1.525 120.520 119.070 -0.125 0.000 2.476 1220 H HA 0.127 4.683 4.556 0.001 0.000 0.292 1220 H C 0.318 175.646 175.328 0.000 0.000 1.019 1220 H CA 1.019 57.053 56.048 -0.024 0.000 1.330 1220 H CB 0.040 29.818 29.762 0.027 0.000 1.451 1220 H HN 0.692 nan 8.280 nan 0.000 0.535 1221 T N 0.417 115.029 114.554 0.097 0.000 2.992 1221 T HA 0.373 4.724 4.350 0.001 0.000 0.299 1221 T C 0.602 175.336 174.700 0.057 0.000 1.027 1221 T CA -0.661 61.503 62.100 0.108 0.000 1.001 1221 T CB 0.176 69.136 68.868 0.154 0.000 1.005 1221 T HN 0.211 nan 8.240 nan 0.000 0.599 1222 R N 2.186 122.738 120.500 0.086 0.000 2.700 1222 R HA 0.507 4.847 4.340 0.001 0.000 0.399 1222 R C 0.628 176.995 176.300 0.113 0.000 1.115 1222 R CA -0.717 55.425 56.100 0.070 0.000 1.058 1222 R CB 1.100 31.440 30.300 0.066 0.000 1.389 1222 R HN 0.787 nan 8.270 nan 0.000 0.582 1223 G N 0.499 109.405 108.800 0.178 0.000 2.495 1223 G HA2 0.156 4.117 3.960 0.001 0.000 0.294 1223 G HA3 0.156 4.117 3.960 0.001 0.000 0.294 1223 G C -2.539 172.544 174.900 0.305 0.000 1.397 1223 G CA -0.801 44.448 45.100 0.248 0.000 0.790 1223 G HN -0.283 nan 8.290 nan 0.000 0.486 1224 P HA -0.112 nan 4.420 nan 0.000 0.221 1224 P C 1.857 179.203 177.300 0.076 0.000 1.145 1224 P CA 2.039 65.230 63.100 0.151 0.000 0.795 1224 P CB 0.088 31.892 31.700 0.173 0.000 0.775 1225 S N -1.056 114.700 115.700 0.094 0.000 2.461 1225 S HA -0.047 4.423 4.470 0.001 0.000 0.228 1225 S C 1.670 176.297 174.600 0.046 0.000 1.005 1225 S CA 1.524 59.757 58.200 0.055 0.000 0.942 1225 S CB -1.365 61.868 63.200 0.054 0.000 0.776 1225 S HN 0.345 nan 8.310 nan 0.000 0.514 1226 T N -3.585 111.018 114.554 0.081 0.000 2.986 1226 T HA 0.295 4.646 4.350 0.001 0.000 0.264 1226 T C -0.255 174.516 174.700 0.119 0.000 0.964 1226 T CA -0.471 61.676 62.100 0.080 0.000 0.895 1226 T CB -0.315 68.609 68.868 0.094 0.000 1.163 1226 T HN 0.378 nan 8.240 nan 0.000 0.517 1227 Y N 2.712 123.006 120.300 -0.010 0.000 2.328 1227 Y HA 0.594 5.144 4.550 0.001 0.000 0.333 1227 Y C -1.146 174.675 175.900 -0.133 0.000 0.958 1227 Y CA -1.250 56.825 58.100 -0.042 0.000 1.167 1227 Y CB 1.125 39.591 38.460 0.011 0.000 1.151 1227 Y HN -0.195 nan 8.280 nan 0.000 0.470 1228 K N 8.828 128.905 120.400 -0.539 0.000 2.292 1228 K HA 0.308 4.628 4.320 0.001 0.000 0.270 1228 K C -0.384 175.902 176.600 -0.523 0.000 1.062 1228 K CA -0.422 55.617 56.287 -0.415 0.000 0.916 1228 K CB 0.859 33.202 32.500 -0.262 0.000 1.166 1228 K HN 0.859 nan 8.250 nan 0.000 0.458 1229 I N -0.432 119.858 120.570 -0.467 0.000 2.612 1229 I HA 0.433 4.604 4.170 0.001 0.000 0.295 1229 I C -2.143 173.816 176.117 -0.263 0.000 1.011 1229 I CA -2.443 58.629 61.300 -0.380 0.000 1.326 1229 I CB 0.556 38.324 38.000 -0.386 0.000 1.427 1229 I HN 0.195 nan 8.210 nan 0.000 0.537 1230 P HA 0.106 nan 4.420 nan 0.000 0.265 1230 P C -0.683 176.533 177.300 -0.139 0.000 1.187 1230 P CA 0.132 63.134 63.100 -0.163 0.000 0.766 1230 P CB 0.580 32.192 31.700 -0.147 0.000 0.820 1231 A N 2.131 124.892 122.820 -0.098 0.000 2.284 1231 A HA 0.482 4.803 4.320 0.001 0.000 0.317 1231 A C 0.788 178.366 177.584 -0.009 0.000 1.120 1231 A CA -0.500 51.519 52.037 -0.031 0.000 0.900 1231 A CB -0.118 18.895 19.000 0.022 0.000 1.319 1231 A HN 0.430 nan 8.150 nan 0.000 0.494 1232 F N 0.263 120.199 119.950 -0.025 0.000 2.120 1232 F HA -0.112 4.415 4.527 0.001 0.000 0.300 1232 F C 2.485 178.271 175.800 -0.023 0.000 1.095 1232 F CA 2.503 60.498 58.000 -0.008 0.000 1.249 1232 F CB -0.251 38.749 39.000 0.001 0.000 0.995 1232 F HN 0.621 nan 8.300 nan 0.000 0.480 1233 G N -2.042 106.852 108.800 0.158 0.000 2.813 1233 G HA2 -0.069 3.891 3.960 0.001 0.000 0.209 1233 G HA3 -0.069 3.891 3.960 0.001 0.000 0.209 1233 G C 1.522 176.415 174.900 -0.012 0.000 1.150 1233 G CA 0.670 45.806 45.100 0.059 0.000 0.785 1233 G HN 0.319 nan 8.290 nan 0.000 0.535 1234 S N 0.179 115.858 115.700 -0.035 0.000 2.501 1234 S HA 0.159 4.629 4.470 0.001 0.000 0.220 1234 S C 1.254 175.793 174.600 -0.101 0.000 0.997 1234 S CA -0.284 57.863 58.200 -0.087 0.000 0.919 1234 S CB -0.104 63.036 63.200 -0.101 0.000 0.778 1234 S HN 0.610 nan 8.310 nan 0.000 0.523 1235 I N 0.438 120.944 120.570 -0.107 0.000 2.882 1235 I HA 0.345 4.516 4.170 0.001 0.000 0.286 1235 I C -2.926 173.073 176.117 -0.196 0.000 1.139 1235 I CA -2.398 58.779 61.300 -0.205 0.000 1.379 1235 I CB -0.084 37.789 38.000 -0.211 0.000 1.410 1235 I HN -0.182 nan 8.210 nan 0.000 0.594 1236 P HA 0.109 nan 4.420 nan 0.000 0.268 1236 P C 0.364 177.623 177.300 -0.068 0.000 1.205 1236 P CA -0.106 62.891 63.100 -0.172 0.000 0.771 1236 P CB 0.717 32.286 31.700 -0.218 0.000 0.858 1237 T N 0.349 114.887 114.554 -0.026 0.000 2.652 1237 T HA -0.113 4.237 4.350 0.001 0.000 0.267 1237 T C 0.647 175.371 174.700 0.041 0.000 1.039 1237 T CA 1.369 63.474 62.100 0.008 0.000 1.153 1237 T CB -0.286 68.581 68.868 -0.002 0.000 0.863 1237 T HN 0.424 nan 8.240 nan 0.000 0.428 1238 E N 0.918 121.138 120.200 0.035 0.000 2.046 1238 E HA 0.355 4.705 4.350 0.001 0.000 0.279 1238 E C -1.529 175.146 176.600 0.125 0.000 0.989 1238 E CA -0.257 56.179 56.400 0.059 0.000 0.798 1238 E CB 0.453 30.166 29.700 0.022 0.000 1.086 1238 E HN 0.455 nan 8.360 nan 0.000 0.399 1239 F N 4.475 124.386 119.950 -0.066 0.000 2.434 1239 F HA 0.390 4.918 4.527 0.001 0.000 0.355 1239 F C -0.193 175.540 175.800 -0.112 0.000 1.115 1239 F CA -0.810 57.126 58.000 -0.106 0.000 1.010 1239 F CB 0.676 39.626 39.000 -0.082 0.000 1.234 1239 F HN 0.128 nan 8.300 nan 0.000 0.439 1240 R N 5.221 125.697 120.500 -0.039 0.000 2.561 1240 R HA 0.704 5.044 4.340 0.001 0.000 0.297 1240 R C -1.693 174.481 176.300 -0.211 0.000 0.969 1240 R CA -1.094 54.917 56.100 -0.149 0.000 0.879 1240 R CB 2.882 33.138 30.300 -0.074 0.000 1.178 1240 R HN 0.347 nan 8.270 nan 0.000 0.445 1241 V N 1.749 121.527 119.914 -0.226 0.000 2.623 1241 V HA 0.353 4.473 4.120 0.001 0.000 0.304 1241 V C -0.631 175.387 176.094 -0.127 0.000 1.054 1241 V CA -0.649 61.531 62.300 -0.200 0.000 0.882 1241 V CB 2.230 33.891 31.823 -0.270 0.000 1.002 1241 V HN 0.785 nan 8.190 nan 0.000 0.424 1242 S N 5.060 120.707 115.700 -0.088 0.000 2.513 1242 S HA 0.768 5.238 4.470 0.001 0.000 0.299 1242 S C -0.628 173.948 174.600 -0.039 0.000 1.087 1242 S CA -0.643 57.522 58.200 -0.058 0.000 1.012 1242 S CB 1.673 64.845 63.200 -0.046 0.000 1.044 1242 S HN 0.536 nan 8.310 nan 0.000 0.485 1243 L N 2.547 123.753 121.223 -0.028 0.000 2.289 1243 L HA 0.473 4.814 4.340 0.001 0.000 0.285 1243 L C -0.260 176.609 176.870 -0.003 0.000 1.049 1243 L CA -0.938 53.896 54.840 -0.009 0.000 0.804 1243 L CB 0.419 42.474 42.059 -0.007 0.000 1.195 1243 L HN 0.438 nan 8.230 nan 0.000 0.428 1244 L N 4.505 125.734 121.223 0.011 0.000 2.499 1244 L HA 0.115 4.456 4.340 0.001 0.000 0.273 1244 L C 0.477 177.352 176.870 0.010 0.000 1.195 1244 L CA 0.644 55.491 54.840 0.013 0.000 0.882 1244 L CB -0.001 42.074 42.059 0.027 0.000 1.133 1244 L HN 0.517 nan 8.230 nan 0.000 0.483 1245 R N 4.075 124.578 120.500 0.005 0.000 2.528 1245 R HA 0.219 4.559 4.340 0.001 0.000 0.271 1245 R C -0.423 175.881 176.300 0.006 0.000 1.056 1245 R CA -0.622 55.480 56.100 0.002 0.000 1.117 1245 R CB 0.307 30.606 30.300 -0.001 0.000 1.085 1245 R HN 0.710 nan 8.270 nan 0.000 0.530 1246 D N 0.273 120.675 120.400 0.003 0.000 2.737 1246 D HA -0.132 4.508 4.640 0.001 0.000 0.238 1246 D C -0.279 176.026 176.300 0.008 0.000 1.157 1246 D CA 1.010 55.012 54.000 0.004 0.000 0.694 1246 D CB -1.232 39.571 40.800 0.004 0.000 1.021 1246 D HN 0.770 nan 8.370 nan 0.000 0.420 1247 C N -1.878 117.428 119.300 0.009 0.000 3.421 1247 C HA 0.395 4.855 4.460 0.001 0.000 0.194 1247 C C -2.573 172.422 174.990 0.008 0.000 1.418 1247 C CA -1.871 57.156 59.018 0.015 0.000 1.226 1247 C CB 0.180 27.937 27.740 0.027 0.000 1.875 1247 C HN -0.024 nan 8.230 nan 0.000 0.561 1248 P HA 0.096 nan 4.420 nan 0.000 0.262 1248 P C -0.204 177.074 177.300 -0.038 0.000 1.182 1248 P CA 0.874 63.963 63.100 -0.019 0.000 0.761 1248 P CB 0.547 32.238 31.700 -0.015 0.000 0.795 1249 N N 2.530 121.182 118.700 -0.080 0.000 2.426 1249 N HA 0.086 4.826 4.740 0.001 0.000 0.257 1249 N C 0.692 176.104 175.510 -0.163 0.000 1.002 1249 N CA -0.251 52.705 53.050 -0.158 0.000 0.942 1249 N CB 0.619 38.931 38.487 -0.291 0.000 1.112 1249 N HN 0.107 nan 8.380 nan 0.000 0.499 1250 K N 2.138 122.458 120.400 -0.134 0.000 2.148 1250 K HA 0.011 4.332 4.320 0.001 0.000 0.204 1250 K C 0.968 177.490 176.600 -0.130 0.000 1.050 1250 K CA 0.896 57.120 56.287 -0.104 0.000 0.942 1250 K CB 0.221 32.684 32.500 -0.062 0.000 0.724 1250 K HN 0.468 nan 8.250 nan 0.000 0.446 1251 K N 0.310 120.577 120.400 -0.222 0.000 2.439 1251 K HA 0.063 4.383 4.320 0.001 0.000 0.197 1251 K C 0.580 177.146 176.600 -0.056 0.000 1.041 1251 K CA 0.346 56.521 56.287 -0.186 0.000 0.970 1251 K CB 0.308 32.487 32.500 -0.535 0.000 0.773 1251 K HN 0.096 nan 8.250 nan 0.000 0.479 1252 A N 0.961 123.649 122.820 -0.220 0.000 2.430 1252 A HA 0.461 4.781 4.320 0.001 0.000 0.300 1252 A C -0.570 176.893 177.584 -0.201 0.000 1.124 1252 A CA -0.899 51.037 52.037 -0.168 0.000 0.766 1252 A CB 0.927 19.815 19.000 -0.187 0.000 1.328 1252 A HN 0.132 nan 8.150 nan 0.000 0.424 1253 I N 1.156 121.573 120.570 -0.255 0.000 3.015 1253 I HA -0.047 4.123 4.170 0.001 0.000 0.309 1253 I C 0.148 176.135 176.117 -0.217 0.000 1.229 1253 I CA 1.420 62.495 61.300 -0.376 0.000 1.430 1253 I CB -1.183 36.573 38.000 -0.406 0.000 1.347 1253 I HN 0.637 nan 8.210 nan 0.000 0.544 1254 Y N 5.631 125.819 120.300 -0.187 0.000 3.721 1254 Y HA -0.297 4.253 4.550 0.001 0.000 0.218 1254 Y C 1.426 177.262 175.900 -0.107 0.000 1.188 1254 Y CA 0.462 58.481 58.100 -0.134 0.000 1.607 1254 Y CB -1.721 36.678 38.460 -0.101 0.000 1.496 1254 Y HN 1.050 nan 8.280 nan 0.000 0.626 1255 A N -1.356 121.463 122.820 -0.001 0.000 3.021 1255 A HA -0.254 4.066 4.320 0.001 0.000 0.257 1255 A C 0.933 178.485 177.584 -0.053 0.000 1.277 1255 A CA 0.989 53.002 52.037 -0.041 0.000 1.012 1255 A CB -2.000 16.992 19.000 -0.013 0.000 1.147 1255 A HN 1.247 nan 8.150 nan 0.000 0.861 1256 S N -0.848 114.825 115.700 -0.045 0.000 2.681 1256 S HA 0.758 5.229 4.470 0.001 0.000 0.270 1256 S C -0.117 174.442 174.600 -0.068 0.000 1.209 1256 S CA -0.129 58.052 58.200 -0.031 0.000 0.988 1256 S CB 1.470 64.673 63.200 0.004 0.000 1.006 1256 S HN 0.544 nan 8.310 nan 0.000 0.558 1257 K N -0.143 120.260 120.400 0.005 0.000 2.435 1257 K HA 0.663 4.984 4.320 0.001 0.000 0.251 1257 K C -0.449 176.243 176.600 0.153 0.000 0.954 1257 K CA -0.909 55.443 56.287 0.108 0.000 0.820 1257 K CB 2.132 34.715 32.500 0.139 0.000 1.292 1257 K HN 0.834 nan 8.250 nan 0.000 0.436 1258 A N 0.893 123.857 122.820 0.240 0.000 2.507 1258 A HA 0.125 4.446 4.320 0.001 0.000 0.235 1258 A C 0.614 178.234 177.584 0.059 0.000 1.070 1258 A CA 0.068 52.166 52.037 0.102 0.000 0.768 1258 A CB 0.493 19.514 19.000 0.035 0.000 1.011 1258 A HN 0.551 nan 8.150 nan 0.000 0.502 1259 V N 1.901 121.827 119.914 0.021 0.000 3.332 1259 V HA 0.230 4.350 4.120 0.001 0.000 0.263 1259 V C 1.751 177.837 176.094 -0.013 0.000 1.562 1259 V CA 1.544 63.851 62.300 0.012 0.000 1.040 1259 V CB -0.446 31.394 31.823 0.028 0.000 0.857 1259 V HN 1.198 nan 8.190 nan 0.000 0.428 1260 G N 0.575 109.363 108.800 -0.021 0.000 2.739 1260 G HA2 -0.297 3.663 3.960 0.001 0.000 0.216 1260 G HA3 -0.297 3.663 3.960 0.001 0.000 0.216 1260 G C 1.133 176.003 174.900 -0.050 0.000 1.298 1260 G CA 1.633 46.726 45.100 -0.012 0.000 0.804 1260 G HN 0.590 nan 8.290 nan 0.000 0.623 1261 E N 0.881 120.976 120.200 -0.175 0.000 2.076 1261 E HA -0.019 4.331 4.350 0.001 0.000 0.190 1261 E C 0.150 176.452 176.600 -0.497 0.000 0.979 1261 E CA 0.682 56.875 56.400 -0.344 0.000 0.807 1261 E CB -0.323 29.037 29.700 -0.567 0.000 0.761 1261 E HN 0.318 nan 8.360 nan 0.000 0.454 1262 P HA -0.180 nan 4.420 nan 0.000 0.217 1262 P C -1.636 175.614 177.300 -0.083 0.000 1.158 1262 P CA 1.970 64.866 63.100 -0.341 0.000 0.887 1262 P CB -0.817 30.817 31.700 -0.111 0.000 0.792 1263 P HA 0.005 nan 4.420 nan 0.000 0.245 1263 P C 1.427 178.811 177.300 0.140 0.000 1.212 1263 P CA 0.465 63.627 63.100 0.103 0.000 0.774 1263 P CB -0.433 31.339 31.700 0.120 0.000 0.999 1264 L N -1.307 119.956 121.223 0.066 0.000 2.027 1264 L HA -0.118 4.223 4.340 0.001 0.000 0.206 1264 L C 2.172 179.142 176.870 0.167 0.000 1.074 1264 L CA 1.473 56.358 54.840 0.075 0.000 0.745 1264 L CB -0.670 41.390 42.059 0.003 0.000 0.898 1264 L HN -0.107 nan 8.230 nan 0.000 0.433 1265 F N 0.485 120.483 119.950 0.080 0.000 2.202 1265 F HA -0.216 4.312 4.527 0.001 0.000 0.301 1265 F C 1.926 177.806 175.800 0.134 0.000 1.082 1265 F CA 1.434 59.535 58.000 0.169 0.000 1.313 1265 F CB -0.448 38.637 39.000 0.142 0.000 1.024 1265 F HN 0.008 nan 8.300 nan 0.000 0.495 1266 L N 0.038 121.253 121.223 -0.014 0.000 2.450 1266 L HA -0.199 4.142 4.340 0.001 0.000 0.225 1266 L C 2.611 179.421 176.870 -0.101 0.000 1.145 1266 L CA 0.967 55.777 54.840 -0.049 0.000 0.801 1266 L CB -1.602 40.604 42.059 0.244 0.000 0.924 1266 L HN 0.371 nan 8.230 nan 0.000 0.447 1267 G N -0.312 108.299 108.800 -0.315 0.000 2.443 1267 G HA2 -0.161 3.800 3.960 0.001 0.000 0.219 1267 G HA3 -0.161 3.800 3.960 0.001 0.000 0.219 1267 G C 1.775 176.447 174.900 -0.381 0.000 1.131 1267 G CA 0.646 45.292 45.100 -0.756 0.000 0.775 1267 G HN 0.471 nan 8.290 nan 0.000 0.547 1268 A N 1.517 124.018 122.820 -0.532 0.000 2.019 1268 A HA -0.041 4.280 4.320 0.001 0.000 0.219 1268 A C 2.696 180.141 177.584 -0.232 0.000 1.164 1268 A CA 2.274 53.795 52.037 -0.860 0.000 0.644 1268 A CB -0.650 17.548 19.000 -1.336 0.000 0.805 1268 A HN 0.717 nan 8.150 nan 0.000 0.449 1269 S N -0.174 115.437 115.700 -0.148 0.000 2.400 1269 S HA -0.155 4.315 4.470 0.001 0.000 0.232 1269 S C 1.684 176.337 174.600 0.088 0.000 1.025 1269 S CA 1.461 59.699 58.200 0.062 0.000 0.993 1269 S CB -1.021 62.217 63.200 0.062 0.000 0.808 1269 S HN 0.287 nan 8.310 nan 0.000 0.478 1270 V N 1.140 121.074 119.914 0.034 0.000 2.392 1270 V HA -0.129 3.991 4.120 0.001 0.000 0.249 1270 V C 2.082 178.148 176.094 -0.046 0.000 1.059 1270 V CA 2.113 64.420 62.300 0.011 0.000 1.051 1270 V CB -1.078 30.743 31.823 -0.004 0.000 0.658 1270 V HN 0.595 nan 8.190 nan 0.000 0.455 1271 F N 0.340 120.148 119.950 -0.238 0.000 2.134 1271 F HA -0.169 4.358 4.527 0.001 0.000 0.299 1271 F C 1.952 177.517 175.800 -0.392 0.000 1.097 1271 F CA 1.742 59.524 58.000 -0.363 0.000 1.264 1271 F CB -0.252 38.410 39.000 -0.564 0.000 1.001 1271 F HN 0.149 nan 8.300 nan 0.000 0.479 1272 F N -0.075 119.927 119.950 0.087 0.000 2.615 1272 F HA 0.116 4.643 4.527 0.001 0.000 0.297 1272 F C 2.379 178.139 175.800 -0.068 0.000 1.124 1272 F CA 0.548 58.552 58.000 0.007 0.000 1.451 1272 F CB -0.933 38.096 39.000 0.047 0.000 1.103 1272 F HN 0.064 nan 8.300 nan 0.000 0.569 1273 A N 0.972 123.826 122.820 0.056 0.000 1.858 1273 A HA -0.156 4.164 4.320 0.001 0.000 0.216 1273 A C 2.190 179.726 177.584 -0.080 0.000 1.190 1273 A CA 1.628 53.664 52.037 -0.002 0.000 0.617 1273 A CB -1.039 17.953 19.000 -0.013 0.000 0.827 1273 A HN 0.347 nan 8.150 nan 0.000 0.443 1274 I N -0.499 119.953 120.570 -0.195 0.000 2.194 1274 I HA -0.312 3.859 4.170 0.001 0.000 0.246 1274 I C 2.577 178.575 176.117 -0.198 0.000 1.093 1274 I CA 1.980 63.125 61.300 -0.259 0.000 1.355 1274 I CB -0.311 37.431 38.000 -0.431 0.000 1.046 1274 I HN 0.355 nan 8.210 nan 0.000 0.413 1275 K N 0.677 120.921 120.400 -0.260 0.000 2.097 1275 K HA -0.248 4.073 4.320 0.001 0.000 0.206 1275 K C 1.722 178.383 176.600 0.102 0.000 1.049 1275 K CA 1.878 58.125 56.287 -0.066 0.000 0.933 1275 K CB -0.092 32.326 32.500 -0.137 0.000 0.717 1275 K HN 0.193 nan 8.250 nan 0.000 0.442 1276 D N -0.031 120.405 120.400 0.059 0.000 2.092 1276 D HA -0.156 4.484 4.640 0.001 0.000 0.193 1276 D C 1.631 177.964 176.300 0.055 0.000 0.994 1276 D CA 1.723 55.768 54.000 0.074 0.000 0.828 1276 D CB -0.039 40.792 40.800 0.052 0.000 0.963 1276 D HN 0.302 nan 8.370 nan 0.000 0.450 1277 A N -0.234 122.596 122.820 0.016 0.000 1.969 1277 A HA -0.067 4.254 4.320 0.001 0.000 0.218 1277 A C 2.360 179.951 177.584 0.012 0.000 1.169 1277 A CA 0.826 52.869 52.037 0.009 0.000 0.635 1277 A CB -0.656 18.337 19.000 -0.012 0.000 0.810 1277 A HN 0.351 nan 8.150 nan 0.000 0.445 1278 I N -0.885 119.695 120.570 0.017 0.000 2.252 1278 I HA -0.257 3.913 4.170 0.001 0.000 0.245 1278 I C 2.709 178.783 176.117 -0.071 0.000 1.102 1278 I CA 1.108 62.391 61.300 -0.029 0.000 1.385 1278 I CB -0.342 37.648 38.000 -0.016 0.000 1.064 1278 I HN 0.288 nan 8.210 nan 0.000 0.414 1279 R N 0.794 121.323 120.500 0.048 0.000 2.103 1279 R HA -0.207 4.133 4.340 0.001 0.000 0.242 1279 R C 2.447 178.745 176.300 -0.004 0.000 1.142 1279 R CA 1.711 57.847 56.100 0.061 0.000 0.960 1279 R CB -0.553 29.841 30.300 0.157 0.000 0.858 1279 R HN 0.396 nan 8.270 nan 0.000 0.439 1280 A N 1.034 123.855 122.820 0.001 0.000 1.933 1280 A HA -0.113 4.207 4.320 0.001 0.000 0.218 1280 A C 2.348 179.894 177.584 -0.063 0.000 1.175 1280 A CA 1.712 53.736 52.037 -0.021 0.000 0.628 1280 A CB -0.536 18.467 19.000 0.004 0.000 0.814 1280 A HN 0.422 nan 8.150 nan 0.000 0.444 1281 A N -0.456 122.333 122.820 -0.052 0.000 1.930 1281 A HA -0.097 4.224 4.320 0.001 0.000 0.217 1281 A C 2.253 179.792 177.584 -0.075 0.000 1.175 1281 A CA 1.443 53.450 52.037 -0.050 0.000 0.627 1281 A CB -0.356 18.650 19.000 0.011 0.000 0.815 1281 A HN 0.544 nan 8.150 nan 0.000 0.443 1282 R N -0.633 119.805 120.500 -0.103 0.000 2.075 1282 R HA 0.058 4.399 4.340 0.001 0.000 0.226 1282 R C 2.491 178.739 176.300 -0.087 0.000 1.114 1282 R CA 1.011 57.046 56.100 -0.109 0.000 0.972 1282 R CB -0.449 29.733 30.300 -0.197 0.000 0.869 1282 R HN 0.465 nan 8.270 nan 0.000 0.437 1283 A N 1.073 123.844 122.820 -0.083 0.000 1.986 1283 A HA -0.306 4.014 4.320 0.001 0.000 0.220 1283 A C 2.100 179.603 177.584 -0.135 0.000 1.171 1283 A CA 1.868 53.858 52.037 -0.078 0.000 0.640 1283 A CB -0.453 18.513 19.000 -0.057 0.000 0.811 1283 A HN 0.328 nan 8.150 nan 0.000 0.451 1284 Q N -1.582 118.088 119.800 -0.217 0.000 2.020 1284 Q HA -0.131 4.210 4.340 0.001 0.000 0.198 1284 Q C 1.667 177.387 176.000 -0.467 0.000 0.974 1284 Q CA 1.907 57.461 55.803 -0.415 0.000 0.829 1284 Q CB -0.105 28.260 28.738 -0.622 0.000 0.894 1284 Q HN 0.749 nan 8.270 nan 0.000 0.433 1285 H N -1.271 117.724 119.070 -0.124 0.000 3.058 1285 H HA 0.231 4.787 4.556 0.001 0.000 0.258 1285 H C 1.026 176.319 175.328 -0.058 0.000 1.015 1285 H CA 0.944 56.929 56.048 -0.105 0.000 1.210 1285 H CB 0.463 30.167 29.762 -0.096 0.000 1.481 1285 H HN 0.453 nan 8.280 nan 0.000 0.492 1286 T N 0.062 114.643 114.554 0.045 0.000 4.030 1286 T HA 0.076 4.426 4.350 0.001 0.000 0.282 1286 T C 1.079 175.777 174.700 -0.003 0.000 1.102 1286 T CA -0.632 61.477 62.100 0.016 0.000 1.138 1286 T CB 0.084 68.947 68.868 -0.009 0.000 2.308 1286 T HN 0.281 nan 8.240 nan 0.000 0.456 1287 N N 1.125 119.821 118.700 -0.007 0.000 2.374 1287 N HA 0.114 4.855 4.740 0.001 0.000 0.284 1287 N C -0.260 175.244 175.510 -0.010 0.000 1.280 1287 N CA -0.691 52.358 53.050 -0.003 0.000 0.963 1287 N CB 0.183 38.675 38.487 0.009 0.000 1.141 1287 N HN 0.509 nan 8.380 nan 0.000 0.565 1288 N N -0.542 118.156 118.700 -0.002 0.000 2.328 1288 N HA 0.036 4.777 4.740 0.001 0.000 0.247 1288 N C -0.805 174.712 175.510 0.012 0.000 1.165 1288 N CA -0.136 52.913 53.050 -0.003 0.000 0.873 1288 N CB -0.403 38.082 38.487 -0.004 0.000 1.125 1288 N HN 0.457 nan 8.380 nan 0.000 0.513 1289 N N 1.146 119.859 118.700 0.022 0.000 2.508 1289 N HA 0.074 4.814 4.740 0.001 0.000 0.253 1289 N C 0.903 176.441 175.510 0.047 0.000 1.145 1289 N CA 0.197 53.270 53.050 0.039 0.000 0.973 1289 N CB 0.483 39.001 38.487 0.051 0.000 1.305 1289 N HN 0.067 nan 8.380 nan 0.000 0.506 1290 T N 1.836 116.416 114.554 0.042 0.000 2.778 1290 T HA -0.164 4.187 4.350 0.001 0.000 0.269 1290 T C 1.040 175.783 174.700 0.071 0.000 1.050 1290 T CA 1.438 63.567 62.100 0.048 0.000 1.137 1290 T CB 0.171 69.064 68.868 0.043 0.000 0.860 1290 T HN 0.487 nan 8.240 nan 0.000 0.468 1291 K N 0.620 121.066 120.400 0.077 0.000 2.387 1291 K HA 0.202 4.522 4.320 0.001 0.000 0.203 1291 K C 0.475 177.141 176.600 0.110 0.000 1.030 1291 K CA -0.194 56.148 56.287 0.092 0.000 1.099 1291 K CB 0.717 33.268 32.500 0.086 0.000 0.863 1291 K HN 0.431 nan 8.250 nan 0.000 0.529 1292 E N 2.046 122.316 120.200 0.116 0.000 2.392 1292 E HA 0.075 4.425 4.350 0.001 0.000 0.264 1292 E C -0.907 175.810 176.600 0.195 0.000 1.024 1292 E CA -0.071 56.413 56.400 0.140 0.000 0.903 1292 E CB 0.605 30.383 29.700 0.129 0.000 0.963 1292 E HN 0.107 nan 8.360 nan 0.000 0.432 1293 L N 5.450 126.786 121.223 0.188 0.000 2.313 1293 L HA 0.456 4.796 4.340 0.001 0.000 0.283 1293 L C -0.306 176.711 176.870 0.246 0.000 1.013 1293 L CA -1.070 53.883 54.840 0.188 0.000 0.816 1293 L CB 0.624 42.757 42.059 0.123 0.000 1.236 1293 L HN 0.450 nan 8.230 nan 0.000 0.419 1294 F N 0.244 120.255 119.950 0.101 0.000 2.480 1294 F HA 0.659 5.186 4.527 0.001 0.000 0.329 1294 F C 0.009 175.887 175.800 0.130 0.000 1.091 1294 F CA -1.204 56.857 58.000 0.100 0.000 0.972 1294 F CB 1.136 40.183 39.000 0.080 0.000 1.150 1294 F HN 0.414 nan 8.300 nan 0.000 0.467 1295 R N 3.961 124.546 120.500 0.143 0.000 2.248 1295 R HA 0.482 4.823 4.340 0.001 0.000 0.328 1295 R C -1.698 174.692 176.300 0.151 0.000 1.067 1295 R CA -0.600 55.559 56.100 0.099 0.000 0.924 1295 R CB 0.700 31.100 30.300 0.168 0.000 1.013 1295 R HN 0.891 nan 8.270 nan 0.000 0.454 1296 L N 5.331 126.603 121.223 0.080 0.000 2.294 1296 L HA 0.377 4.717 4.340 0.001 0.000 0.283 1296 L C -0.978 176.134 176.870 0.403 0.000 1.015 1296 L CA -0.378 54.604 54.840 0.237 0.000 0.831 1296 L CB 1.376 43.519 42.059 0.140 0.000 1.217 1296 L HN 0.671 nan 8.230 nan 0.000 0.420 1297 D N 1.756 122.388 120.400 0.387 0.000 2.383 1297 D HA 0.273 4.913 4.640 0.001 0.000 0.248 1297 D C -0.462 176.102 176.300 0.440 0.000 1.170 1297 D CA -0.063 54.195 54.000 0.430 0.000 0.977 1297 D CB 1.673 42.710 40.800 0.395 0.000 1.120 1297 D HN 0.460 nan 8.370 nan 0.000 0.481 1298 S N 0.193 116.037 115.700 0.241 0.000 2.472 1298 S HA 0.563 5.033 4.470 0.001 0.000 0.303 1298 S C -2.783 171.828 174.600 0.018 0.000 1.099 1298 S CA -1.484 56.711 58.200 -0.008 0.000 1.077 1298 S CB 1.468 64.240 63.200 -0.714 0.000 1.031 1298 S HN 0.097 nan 8.310 nan 0.000 0.487 1299 P HA 0.305 nan 4.420 nan 0.000 0.284 1299 P C -1.166 176.247 177.300 0.189 0.000 1.253 1299 P CA -0.565 62.571 63.100 0.060 0.000 0.800 1299 P CB 0.913 32.597 31.700 -0.027 0.000 0.961 1300 A N 2.799 125.801 122.820 0.303 0.000 2.805 1300 A HA 0.395 4.715 4.320 0.001 0.000 0.301 1300 A C 0.943 178.571 177.584 0.073 0.000 1.557 1300 A CA -0.083 52.062 52.037 0.179 0.000 1.254 1300 A CB -1.279 17.714 19.000 -0.012 0.000 1.114 1300 A HN 0.605 nan 8.150 nan 0.000 0.553 1301 T N 0.168 114.764 114.554 0.070 0.000 2.788 1301 T HA 0.394 4.744 4.350 0.001 0.000 0.280 1301 T C -1.698 173.028 174.700 0.044 0.000 0.984 1301 T CA -1.439 60.688 62.100 0.044 0.000 0.972 1301 T CB 0.479 69.361 68.868 0.024 0.000 1.039 1301 T HN 0.191 nan 8.240 nan 0.000 0.530 1302 P HA -0.149 nan 4.420 nan 0.000 0.216 1302 P C 1.549 178.865 177.300 0.026 0.000 1.153 1302 P CA 1.359 64.482 63.100 0.038 0.000 0.858 1302 P CB 0.011 31.722 31.700 0.017 0.000 0.789 1303 E N 0.520 120.730 120.200 0.017 0.000 2.048 1303 E HA -0.277 4.074 4.350 0.001 0.000 0.202 1303 E C 1.784 178.407 176.600 0.039 0.000 1.021 1303 E CA 1.695 58.107 56.400 0.019 0.000 0.825 1303 E CB -0.293 29.413 29.700 0.010 0.000 0.756 1303 E HN 0.139 nan 8.360 nan 0.000 0.454 1304 K N -0.094 120.338 120.400 0.054 0.000 2.097 1304 K HA -0.099 4.221 4.320 0.001 0.000 0.205 1304 K C 2.306 178.947 176.600 0.068 0.000 1.050 1304 K CA 1.317 57.651 56.287 0.079 0.000 0.938 1304 K CB -0.127 32.439 32.500 0.109 0.000 0.718 1304 K HN 0.293 nan 8.250 nan 0.000 0.442 1305 I N 0.529 121.125 120.570 0.043 0.000 2.252 1305 I HA -0.248 3.922 4.170 0.001 0.000 0.245 1305 I C 2.573 178.708 176.117 0.031 0.000 1.102 1305 I CA 0.914 62.229 61.300 0.024 0.000 1.385 1305 I CB -0.126 37.878 38.000 0.007 0.000 1.064 1305 I HN 0.037 nan 8.210 nan 0.000 0.414 1306 R N 1.624 122.145 120.500 0.036 0.000 2.062 1306 R HA -0.133 4.207 4.340 0.001 0.000 0.231 1306 R C 1.993 178.318 176.300 0.042 0.000 1.136 1306 R CA 1.737 57.860 56.100 0.038 0.000 0.948 1306 R CB -0.603 29.713 30.300 0.025 0.000 0.845 1306 R HN 0.273 nan 8.270 nan 0.000 0.430 1307 N N 0.480 119.206 118.700 0.043 0.000 2.192 1307 N HA -0.164 4.576 4.740 0.001 0.000 0.188 1307 N C 1.448 176.979 175.510 0.035 0.000 1.013 1307 N CA 1.640 54.718 53.050 0.047 0.000 0.863 1307 N CB -0.430 38.090 38.487 0.056 0.000 0.990 1307 N HN 0.400 nan 8.380 nan 0.000 0.430 1308 A N 0.282 123.117 122.820 0.024 0.000 1.968 1308 A HA -0.039 4.281 4.320 0.001 0.000 0.217 1308 A C 1.254 178.768 177.584 -0.117 0.000 1.169 1308 A CA 0.450 52.459 52.037 -0.047 0.000 0.638 1308 A CB -0.404 18.577 19.000 -0.033 0.000 0.812 1308 A HN 0.377 nan 8.150 nan 0.000 0.446 1309 C N 1.971 121.247 119.300 -0.040 0.000 2.645 1309 C HA 0.374 4.834 4.460 0.001 0.000 0.451 1309 C C 0.552 175.574 174.990 0.052 0.000 1.018 1309 C CA -0.959 58.062 59.018 0.005 0.000 1.180 1309 C CB -2.283 25.500 27.740 0.072 0.000 1.563 1309 C HN 0.288 nan 8.230 nan 0.000 0.551 1310 V N 4.638 124.562 119.914 0.015 0.000 2.446 1310 V HA 0.247 4.367 4.120 0.001 0.000 0.276 1310 V C 0.267 176.408 176.094 0.077 0.000 1.030 1310 V CA 0.548 62.873 62.300 0.040 0.000 1.033 1310 V CB 0.270 32.099 31.823 0.010 0.000 0.993 1310 V HN 0.861 nan 8.190 nan 0.000 0.477 1311 D N 3.427 123.883 120.400 0.092 0.000 2.867 1311 D HA 0.259 4.899 4.640 0.001 0.000 0.308 1311 D C 0.790 177.081 176.300 -0.015 0.000 1.202 1311 D CA -0.778 53.266 54.000 0.073 0.000 1.035 1311 D CB 0.738 41.618 40.800 0.134 0.000 1.427 1311 D HN 0.319 nan 8.370 nan 0.000 0.570 1312 K N -0.615 119.697 120.400 -0.147 0.000 2.520 1312 K HA -0.037 4.283 4.320 0.001 0.000 0.197 1312 K C 0.522 176.833 176.600 -0.480 0.000 1.043 1312 K CA 1.105 57.193 56.287 -0.331 0.000 0.944 1312 K CB -0.493 31.768 32.500 -0.397 0.000 0.770 1312 K HN 0.340 nan 8.250 nan 0.000 0.480 1313 F N 1.391 121.339 119.950 -0.003 0.000 2.453 1313 F HA 0.005 4.532 4.527 0.001 0.000 0.284 1313 F C 2.699 178.492 175.800 -0.011 0.000 1.065 1313 F CA 0.768 58.752 58.000 -0.026 0.000 1.411 1313 F CB -0.257 38.707 39.000 -0.060 0.000 1.131 1313 F HN 0.104 nan 8.300 nan 0.000 0.582 1314 T N -2.678 111.976 114.554 0.167 0.000 2.915 1314 T HA -0.145 4.205 4.350 0.001 0.000 0.269 1314 T C 1.745 176.481 174.700 0.059 0.000 1.071 1314 T CA 1.641 63.801 62.100 0.101 0.000 1.132 1314 T CB -0.987 67.931 68.868 0.083 0.000 0.878 1314 T HN 0.324 nan 8.240 nan 0.000 0.479 1315 T N -0.308 114.267 114.554 0.036 0.000 3.060 1315 T HA 0.359 4.710 4.350 0.001 0.000 0.249 1315 T C 1.181 175.882 174.700 0.002 0.000 1.079 1315 T CA -0.095 62.013 62.100 0.014 0.000 1.013 1315 T CB -0.725 68.143 68.868 0.000 0.000 0.975 1315 T HN 0.460 nan 8.240 nan 0.000 0.518 1316 L N 0.252 121.477 121.223 0.004 0.000 4.232 1316 L HA -0.174 4.167 4.340 0.001 0.000 0.415 1316 L C 0.825 177.670 176.870 -0.042 0.000 1.168 1316 L CA 0.204 55.041 54.840 -0.005 0.000 0.966 1316 L CB -3.017 39.048 42.059 0.010 0.000 2.052 1316 L HN 0.784 nan 8.230 nan 0.000 0.887 1317 C N -2.085 117.171 119.300 -0.074 0.000 2.996 1317 C HA 0.320 4.781 4.460 0.001 0.000 0.419 1317 C C 1.945 176.872 174.990 -0.104 0.000 1.081 1317 C CA -0.199 58.772 59.018 -0.079 0.000 1.160 1317 C CB -1.056 26.648 27.740 -0.060 0.000 1.687 1317 C HN 0.420 nan 8.230 nan 0.000 0.575 1318 V N 4.240 124.115 119.914 -0.065 0.000 2.325 1318 V HA 0.098 4.218 4.120 0.001 0.000 0.229 1318 V C 1.591 177.656 176.094 -0.049 0.000 1.062 1318 V CA 2.227 64.495 62.300 -0.053 0.000 1.039 1318 V CB -0.547 31.267 31.823 -0.015 0.000 0.667 1318 V HN 1.101 nan 8.190 nan 0.000 0.474 1319 T N -0.067 114.470 114.554 -0.027 0.000 0.722 1319 T HA -0.225 4.125 4.350 0.001 0.000 0.755 1319 T C 0.455 175.140 174.700 -0.026 0.000 0.988 1319 T CA 0.859 62.946 62.100 -0.021 0.000 3.962 1319 T CB -1.191 67.671 68.868 -0.011 0.000 2.245 1319 T HN 1.979 nan 8.240 nan 0.000 0.397 1320 G N 1.964 110.754 108.800 -0.017 0.000 2.097 1320 G HA2 0.393 4.354 3.960 0.001 0.000 0.256 1320 G HA3 0.393 4.354 3.960 0.001 0.000 0.256 1320 G C 1.168 176.056 174.900 -0.019 0.000 1.082 1320 G CA 0.385 45.476 45.100 -0.016 0.000 0.956 1320 G HN 1.326 nan 8.290 nan 0.000 0.420 1321 A N 6.031 128.837 122.820 -0.024 0.000 3.102 1321 A HA 0.045 4.365 4.320 0.001 0.000 0.189 1321 A C -0.922 176.651 177.584 -0.018 0.000 0.842 1321 A CA 1.593 53.613 52.037 -0.028 0.000 1.137 1321 A CB -1.097 17.888 19.000 -0.026 0.000 0.746 1321 A HN 0.627 nan 8.150 nan 0.000 0.537 1322 P HA 0.442 nan 4.420 nan 0.000 0.288 1322 P C 0.558 177.854 177.300 -0.007 0.000 1.300 1322 P CA 0.152 63.246 63.100 -0.011 0.000 0.910 1322 P CB 1.411 33.107 31.700 -0.007 0.000 1.256 1323 G N 0.879 109.676 108.800 -0.004 0.000 2.699 1323 G HA2 -0.191 3.770 3.960 0.001 0.000 0.214 1323 G HA3 -0.191 3.770 3.960 0.001 0.000 0.214 1323 G C 1.298 176.193 174.900 -0.010 0.000 1.350 1323 G CA 0.520 45.616 45.100 -0.007 0.000 0.873 1323 G HN 0.668 nan 8.290 nan 0.000 0.570 1324 N N -0.272 118.426 118.700 -0.002 0.000 2.094 1324 N HA -0.152 4.588 4.740 0.001 0.000 0.191 1324 N C 1.613 177.127 175.510 0.006 0.000 1.023 1324 N CA 2.326 55.380 53.050 0.005 0.000 0.857 1324 N CB -0.210 38.285 38.487 0.012 0.000 1.013 1324 N HN 0.521 nan 8.380 nan 0.000 0.426 1325 C N -0.869 118.434 119.300 0.005 0.000 3.404 1325 C HA 0.312 4.772 4.460 0.001 0.000 0.115 1325 C C 0.503 175.499 174.990 0.010 0.000 2.694 1325 C CA -0.335 58.686 59.018 0.005 0.000 0.824 1325 C CB -0.682 27.053 27.740 -0.008 0.000 1.534 1325 C HN 0.253 nan 8.230 nan 0.000 0.643 1326 K N 0.000 120.405 120.400 0.008 0.000 2.780 1326 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1326 K CA 0.000 56.295 56.287 0.014 0.000 0.838 1326 K CB 0.000 32.505 32.500 0.008 0.000 1.064 1326 K HN 0.000 nan 8.250 nan 0.000 0.543