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 2q6b_1_C DATA FIRST_RESID 442 DATA SEQUENCE PRPNEECLQI LGNAEKGAKF LSDAEIIQLV NAKHIPAYKL ETLIETHERG DATA SEQUENCE VSIRRQLLSK KLSEPSSLQY LPYRDYNYSL VMGACCENVI GYMPIPVGVA DATA SEQUENCE GPLCLDEKEF QVPMATTEGC LVASTNRGCR AIGLGGGASS RVLADGMTRG DATA SEQUENCE PVVRLPRACD SAEVKAWLET SEGFAVIKEA FDSTSRFARL QKLHTSIAGR DATA SEQUENCE NLYIRFQSRS GDAMGMNMIS KGTEKALSKL HEYFPEMQIL AVSGNYCTDK DATA SEQUENCE KPAAINWIEG RGKSVVCEAV IPAKVVREVL KTTTEAMIEV NINKNLVGSA DATA SEQUENCE MAGSIGGYNA HAANIVTAIY IACGQDAAQN VGSSNCITLM EASGPTNEDL DATA SEQUENCE YISCTMPSIE IGTVGGGTNL LPQQACLQML GVQGACKDNP GENARQLARI DATA SEQUENCE VCGTVMAGEL SLMAALAAGH LV 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 442 P HA 0.000 nan 4.420 nan 0.000 0.216 442 P C 0.000 177.296 177.300 -0.007 0.000 1.155 442 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 442 P CB 0.000 31.698 31.700 -0.004 0.000 0.726 443 R N 1.758 122.255 120.500 -0.006 0.000 2.758 443 R HA 0.263 4.603 4.340 0.001 0.000 0.263 443 R C -2.088 174.199 176.300 -0.021 0.000 1.010 443 R CA -0.841 55.254 56.100 -0.010 0.000 1.114 443 R CB -0.145 30.153 30.300 -0.005 0.000 0.985 443 R HN 0.148 nan 8.270 nan 0.000 0.439 444 P HA 0.053 nan 4.420 nan 0.000 0.272 444 P C -0.197 177.064 177.300 -0.065 0.000 1.240 444 P CA -0.365 62.710 63.100 -0.042 0.000 0.791 444 P CB 0.529 32.209 31.700 -0.034 0.000 0.978 445 N N 0.708 119.343 118.700 -0.108 0.000 2.149 445 N HA -0.153 4.587 4.740 0.001 0.000 0.188 445 N C 1.292 176.721 175.510 -0.134 0.000 1.019 445 N CA 1.315 54.261 53.050 -0.173 0.000 0.857 445 N CB -0.348 37.917 38.487 -0.370 0.000 0.997 445 N HN 0.478 nan 8.380 nan 0.000 0.426 446 E N 0.919 121.060 120.200 -0.098 0.000 2.106 446 E HA -0.150 4.200 4.350 0.001 0.000 0.192 446 E C 1.747 178.322 176.600 -0.041 0.000 0.984 446 E CA 0.600 56.965 56.400 -0.058 0.000 0.806 446 E CB -0.246 29.433 29.700 -0.036 0.000 0.750 446 E HN 0.566 nan 8.360 nan 0.000 0.458 447 E N 0.042 120.219 120.200 -0.038 0.000 2.106 447 E HA -0.120 4.230 4.350 0.001 0.000 0.192 447 E C 1.920 178.506 176.600 -0.024 0.000 0.984 447 E CA 0.962 57.346 56.400 -0.026 0.000 0.806 447 E CB 0.075 29.763 29.700 -0.020 0.000 0.750 447 E HN 0.166 nan 8.360 nan 0.000 0.458 448 C N 0.314 119.597 119.300 -0.029 0.000 2.450 448 C HA -0.004 4.456 4.460 0.001 0.000 0.279 448 C C 2.463 177.442 174.990 -0.018 0.000 1.335 448 C CA 0.233 59.239 59.018 -0.019 0.000 1.749 448 C CB -0.762 26.963 27.740 -0.025 0.000 1.963 448 C HN 0.451 nan 8.230 nan 0.000 0.501 449 L N 0.122 121.328 121.223 -0.029 0.000 2.156 449 L HA -0.134 4.207 4.340 0.001 0.000 0.208 449 L C 2.818 179.678 176.870 -0.016 0.000 1.095 449 L CA 1.107 55.935 54.840 -0.019 0.000 0.770 449 L CB -0.589 41.459 42.059 -0.018 0.000 0.914 449 L HN 0.378 nan 8.230 nan 0.000 0.439 450 Q N -0.133 119.654 119.800 -0.022 0.000 2.167 450 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 450 Q C 2.313 178.291 176.000 -0.038 0.000 0.970 450 Q CA 1.375 57.161 55.803 -0.027 0.000 0.855 450 Q CB 0.042 28.763 28.738 -0.028 0.000 0.911 450 Q HN 0.572 nan 8.270 nan 0.000 0.438 451 I N 0.279 120.828 120.570 -0.034 0.000 2.286 451 I HA -0.246 3.924 4.170 0.001 0.000 0.245 451 I C 2.209 178.306 176.117 -0.032 0.000 1.104 451 I CA 0.722 61.995 61.300 -0.046 0.000 1.397 451 I CB -0.120 37.874 38.000 -0.010 0.000 1.072 451 I HN 0.110 nan 8.210 nan 0.000 0.417 452 L N 0.238 121.456 121.223 -0.009 0.000 2.201 452 L HA -0.094 4.246 4.340 0.001 0.000 0.212 452 L C 2.079 178.944 176.870 -0.009 0.000 1.105 452 L CA 1.163 56.003 54.840 0.001 0.000 0.775 452 L CB -0.483 41.579 42.059 0.006 0.000 0.913 452 L HN 0.313 nan 8.230 nan 0.000 0.440 453 G N -1.512 107.277 108.800 -0.018 0.000 3.284 453 G HA2 -0.121 3.839 3.960 0.001 0.000 0.236 453 G HA3 -0.121 3.839 3.960 0.001 0.000 0.236 453 G C 1.129 176.011 174.900 -0.030 0.000 1.158 453 G CA -0.223 44.866 45.100 -0.018 0.000 0.774 453 G HN 0.200 nan 8.290 nan 0.000 0.545 454 N N 1.032 119.704 118.700 -0.047 0.000 2.220 454 N HA 0.006 4.746 4.740 0.001 0.000 0.182 454 N C 1.990 177.469 175.510 -0.052 0.000 1.023 454 N CA 1.602 54.613 53.050 -0.065 0.000 0.856 454 N CB 0.225 38.644 38.487 -0.114 0.000 0.997 454 N HN 0.405 nan 8.380 nan 0.000 0.429 455 A N -0.296 122.499 122.820 -0.042 0.000 3.246 455 A HA -0.142 4.178 4.320 0.001 0.000 0.224 455 A C 1.156 178.724 177.584 -0.026 0.000 0.727 455 A CA 1.198 53.219 52.037 -0.026 0.000 1.612 455 A CB -1.766 17.221 19.000 -0.021 0.000 1.086 455 A HN 0.417 nan 8.150 nan 0.000 0.673 456 E N 0.323 120.488 120.200 -0.058 0.000 2.474 456 E HA 0.136 4.487 4.350 0.001 0.000 0.194 456 E C 1.472 177.997 176.600 -0.125 0.000 1.041 456 E CA 1.032 57.394 56.400 -0.064 0.000 0.874 456 E CB 0.119 29.771 29.700 -0.080 0.000 0.914 456 E HN 0.829 nan 8.360 nan 0.000 0.498 457 K N -0.299 119.990 120.400 -0.184 0.000 2.557 457 K HA 0.350 4.671 4.320 0.001 0.000 0.246 457 K C 1.015 177.666 176.600 0.085 0.000 1.206 457 K CA 0.493 56.577 56.287 -0.339 0.000 0.820 457 K CB 0.125 32.264 32.500 -0.602 0.000 1.588 457 K HN 0.089 nan 8.250 nan 0.000 0.409 458 G N 0.787 109.607 108.800 0.034 0.000 2.642 458 G HA2 -0.297 3.663 3.960 0.001 0.000 0.231 458 G HA3 -0.297 3.663 3.960 0.001 0.000 0.231 458 G C 0.649 175.626 174.900 0.128 0.000 1.338 458 G CA 0.064 45.209 45.100 0.076 0.000 0.883 458 G HN 0.433 nan 8.290 nan 0.000 0.570 459 A N -0.450 122.421 122.820 0.085 0.000 2.121 459 A HA 0.089 4.410 4.320 0.001 0.000 0.218 459 A C 2.182 179.814 177.584 0.080 0.000 1.154 459 A CA 2.428 54.506 52.037 0.067 0.000 0.679 459 A CB -0.372 18.643 19.000 0.026 0.000 0.795 459 A HN 0.949 nan 8.150 nan 0.000 0.458 460 K N -1.312 119.151 120.400 0.106 0.000 2.209 460 K HA -0.108 4.213 4.320 0.001 0.000 0.204 460 K C 0.558 177.118 176.600 -0.066 0.000 1.048 460 K CA 1.325 57.623 56.287 0.019 0.000 0.940 460 K CB -0.226 32.276 32.500 0.003 0.000 0.729 460 K HN 0.453 nan 8.250 nan 0.000 0.451 461 F N 0.695 120.641 119.950 -0.006 0.000 2.732 461 F HA 0.219 4.747 4.527 0.001 0.000 0.303 461 F C 0.266 176.062 175.800 -0.007 0.000 1.110 461 F CA -0.027 57.969 58.000 -0.006 0.000 1.355 461 F CB 0.282 39.278 39.000 -0.006 0.000 1.081 461 F HN -0.140 nan 8.300 nan 0.000 0.565 462 L N -0.768 120.526 121.223 0.118 0.000 2.334 462 L HA 0.459 4.799 4.340 0.001 0.000 0.270 462 L C 0.632 177.515 176.870 0.023 0.000 1.018 462 L CA -1.037 53.840 54.840 0.063 0.000 0.811 462 L CB 1.628 43.717 42.059 0.049 0.000 1.271 462 L HN -0.062 nan 8.230 nan 0.000 0.443 463 S N -1.172 114.536 115.700 0.014 0.000 2.655 463 S HA 0.166 4.636 4.470 0.001 0.000 0.265 463 S C 0.339 174.940 174.600 0.002 0.000 1.240 463 S CA -0.612 57.590 58.200 0.003 0.000 0.986 463 S CB 1.277 64.478 63.200 0.002 0.000 0.985 463 S HN 0.598 nan 8.310 nan 0.000 0.562 464 D N 1.184 121.583 120.400 -0.001 0.000 2.144 464 D HA 0.002 4.642 4.640 0.001 0.000 0.199 464 D C 2.145 178.442 176.300 -0.005 0.000 0.984 464 D CA 1.829 55.827 54.000 -0.003 0.000 0.834 464 D CB -0.778 40.020 40.800 -0.003 0.000 0.955 464 D HN 0.691 nan 8.370 nan 0.000 0.465 465 A N 0.550 123.367 122.820 -0.004 0.000 1.969 465 A HA -0.180 4.140 4.320 0.001 0.000 0.218 465 A C 1.999 179.581 177.584 -0.004 0.000 1.169 465 A CA 1.352 53.387 52.037 -0.004 0.000 0.635 465 A CB -0.409 18.589 19.000 -0.004 0.000 0.810 465 A HN 0.199 nan 8.150 nan 0.000 0.445 466 E N -0.555 119.643 120.200 -0.003 0.000 2.158 466 E HA -0.018 4.333 4.350 0.001 0.000 0.191 466 E C 1.750 178.348 176.600 -0.004 0.000 0.982 466 E CA 0.735 57.133 56.400 -0.004 0.000 0.823 466 E CB -0.153 29.548 29.700 0.001 0.000 0.766 466 E HN 0.692 nan 8.360 nan 0.000 0.468 467 I N 0.761 121.331 120.570 -0.001 0.000 2.252 467 I HA -0.239 3.932 4.170 0.001 0.000 0.245 467 I C 2.152 178.269 176.117 0.001 0.000 1.102 467 I CA 1.033 62.333 61.300 0.000 0.000 1.385 467 I CB -0.059 37.940 38.000 -0.001 0.000 1.064 467 I HN 0.087 nan 8.210 nan 0.000 0.414 468 I N 0.173 120.741 120.570 -0.002 0.000 2.394 468 I HA -0.277 3.894 4.170 0.001 0.000 0.251 468 I C 2.624 178.744 176.117 0.005 0.000 1.136 468 I CA 1.092 62.392 61.300 -0.000 0.000 1.425 468 I CB -0.313 37.683 38.000 -0.006 0.000 1.079 468 I HN 0.333 nan 8.210 nan 0.000 0.425 469 Q N 0.763 120.563 119.800 0.001 0.000 2.119 469 Q HA -0.219 4.121 4.340 0.001 0.000 0.201 469 Q C 2.224 178.227 176.000 0.005 0.000 0.972 469 Q CA 1.477 57.280 55.803 -0.000 0.000 0.847 469 Q CB 0.103 28.834 28.738 -0.012 0.000 0.903 469 Q HN 0.341 nan 8.270 nan 0.000 0.433 470 L N -0.262 120.962 121.223 0.000 0.000 2.141 470 L HA -0.125 4.215 4.340 0.001 0.000 0.209 470 L C 2.185 179.094 176.870 0.065 0.000 1.094 470 L CA 1.042 55.889 54.840 0.011 0.000 0.763 470 L CB -0.523 41.538 42.059 0.003 0.000 0.908 470 L HN 0.107 nan 8.230 nan 0.000 0.437 471 V N -0.818 119.123 119.914 0.046 0.000 2.346 471 V HA -0.197 3.923 4.120 0.001 0.000 0.244 471 V C 2.009 178.134 176.094 0.052 0.000 1.037 471 V CA 1.668 63.997 62.300 0.049 0.000 1.029 471 V CB -0.660 31.180 31.823 0.028 0.000 0.663 471 V HN 0.485 nan 8.190 nan 0.000 0.454 472 N N 0.560 119.286 118.700 0.043 0.000 2.106 472 N HA 0.004 4.744 4.740 0.001 0.000 0.188 472 N C 0.908 176.452 175.510 0.056 0.000 1.029 472 N CA 0.819 53.892 53.050 0.038 0.000 0.848 472 N CB -0.208 38.294 38.487 0.025 0.000 1.007 472 N HN 0.459 nan 8.380 nan 0.000 0.423 473 A N 1.484 124.361 122.820 0.094 0.000 2.454 473 A HA 0.083 4.404 4.320 0.001 0.000 0.260 473 A C -0.138 177.564 177.584 0.197 0.000 1.106 473 A CA -0.135 52.002 52.037 0.167 0.000 0.780 473 A CB 0.224 19.373 19.000 0.248 0.000 1.044 473 A HN 0.171 nan 8.150 nan 0.000 0.498 474 K N 2.796 123.215 120.400 0.031 0.000 2.021 474 K HA 0.102 4.422 4.320 0.001 0.000 0.238 474 K C -0.531 175.926 176.600 -0.238 0.000 1.149 474 K CA 0.442 56.690 56.287 -0.066 0.000 1.105 474 K CB -0.185 32.260 32.500 -0.092 0.000 1.246 474 K HN 0.850 nan 8.250 nan 0.000 0.307 475 H N 0.292 119.367 119.070 0.007 0.000 3.643 475 H HA 0.273 4.830 4.556 0.001 0.000 0.256 475 H C -0.342 174.992 175.328 0.011 0.000 1.107 475 H CA -0.159 55.893 56.048 0.008 0.000 1.175 475 H CB 1.067 30.833 29.762 0.006 0.000 1.519 475 H HN 0.400 nan 8.280 nan 0.000 0.565 476 I N 1.632 122.273 120.570 0.118 0.000 2.642 476 I HA 0.321 4.491 4.170 0.001 0.000 0.273 476 I C -2.990 173.165 176.117 0.063 0.000 1.208 476 I CA -2.103 59.244 61.300 0.078 0.000 1.037 476 I CB 1.271 39.313 38.000 0.070 0.000 1.253 476 I HN -0.149 nan 8.210 nan 0.000 0.504 477 P HA 0.079 nan 4.420 nan 0.000 0.269 477 P C -0.317 177.034 177.300 0.085 0.000 1.211 477 P CA -0.191 62.946 63.100 0.060 0.000 0.781 477 P CB 0.595 32.330 31.700 0.058 0.000 0.877 478 A N 1.829 124.696 122.820 0.079 0.000 2.899 478 A HA 0.202 4.522 4.320 0.001 0.000 0.287 478 A C -0.145 177.551 177.584 0.187 0.000 1.715 478 A CA 0.493 52.584 52.037 0.090 0.000 1.393 478 A CB -1.572 17.463 19.000 0.058 0.000 1.070 478 A HN 0.708 nan 8.150 nan 0.000 0.587 479 Y N 0.081 120.378 120.300 -0.004 0.000 2.694 479 Y HA 0.061 4.612 4.550 0.001 0.000 0.283 479 Y C 1.444 177.342 175.900 -0.004 0.000 1.017 479 Y CA 0.543 58.641 58.100 -0.003 0.000 1.076 479 Y CB -0.284 38.175 38.460 -0.001 0.000 1.394 479 Y HN 0.389 nan 8.280 nan 0.000 0.537 480 K N 1.287 121.695 120.400 0.013 0.000 2.280 480 K HA -0.024 4.296 4.320 0.001 0.000 0.202 480 K C 1.605 178.155 176.600 -0.084 0.000 1.047 480 K CA 1.506 57.753 56.287 -0.067 0.000 0.942 480 K CB -0.168 32.340 32.500 0.013 0.000 0.739 480 K HN 0.367 nan 8.250 nan 0.000 0.457 481 L N 0.479 121.669 121.223 -0.054 0.000 2.187 481 L HA -0.208 4.133 4.340 0.001 0.000 0.213 481 L C 2.318 179.135 176.870 -0.088 0.000 1.100 481 L CA 1.068 55.876 54.840 -0.053 0.000 0.765 481 L CB -0.345 41.697 42.059 -0.030 0.000 0.904 481 L HN 0.228 nan 8.230 nan 0.000 0.437 482 E N -0.023 120.100 120.200 -0.128 0.000 2.077 482 E HA -0.196 4.154 4.350 0.001 0.000 0.193 482 E C 1.991 178.502 176.600 -0.148 0.000 0.989 482 E CA 1.945 58.258 56.400 -0.145 0.000 0.800 482 E CB 0.102 29.695 29.700 -0.179 0.000 0.746 482 E HN 0.330 nan 8.360 nan 0.000 0.452 483 T N 0.170 114.637 114.554 -0.146 0.000 2.896 483 T HA -0.055 4.296 4.350 0.001 0.000 0.263 483 T C 1.556 176.206 174.700 -0.084 0.000 1.050 483 T CA 0.752 62.785 62.100 -0.112 0.000 1.140 483 T CB -0.066 68.739 68.868 -0.104 0.000 0.877 483 T HN 0.038 nan 8.240 nan 0.000 0.457 484 L N 0.243 121.424 121.223 -0.070 0.000 2.131 484 L HA 0.275 4.616 4.340 0.001 0.000 0.206 484 L C 0.755 177.601 176.870 -0.041 0.000 1.087 484 L CA 0.876 55.691 54.840 -0.042 0.000 0.767 484 L CB -0.456 41.587 42.059 -0.027 0.000 0.917 484 L HN 0.243 nan 8.230 nan 0.000 0.441 485 I N -0.148 120.387 120.570 -0.059 0.000 2.471 485 I HA -0.006 4.164 4.170 0.001 0.000 0.286 485 I C 1.301 177.367 176.117 -0.085 0.000 1.079 485 I CA -0.194 61.071 61.300 -0.059 0.000 1.398 485 I CB 1.027 38.988 38.000 -0.065 0.000 1.403 485 I HN 0.054 nan 8.210 nan 0.000 0.530 486 E N 2.797 122.964 120.200 -0.056 0.000 2.028 486 E HA -0.070 4.280 4.350 0.001 0.000 0.190 486 E C 0.777 177.325 176.600 -0.088 0.000 0.984 486 E CA 1.094 57.461 56.400 -0.056 0.000 0.800 486 E CB -0.053 29.640 29.700 -0.013 0.000 0.758 486 E HN 0.766 nan 8.360 nan 0.000 0.448 487 T N -1.999 112.524 114.554 -0.053 0.000 2.907 487 T HA 0.237 4.587 4.350 0.001 0.000 0.284 487 T C 0.501 175.169 174.700 -0.053 0.000 1.004 487 T CA -0.526 61.568 62.100 -0.010 0.000 1.063 487 T CB 1.064 69.968 68.868 0.059 0.000 0.992 487 T HN 0.012 nan 8.240 nan 0.000 0.483 488 H N 0.303 119.400 119.070 0.044 0.000 2.389 488 H HA 0.012 4.568 4.556 0.001 0.000 0.299 488 H C 2.201 177.490 175.328 -0.066 0.000 1.081 488 H CA 1.919 57.969 56.048 0.003 0.000 1.345 488 H CB 0.101 29.915 29.762 0.086 0.000 1.393 488 H HN 0.882 nan 8.280 nan 0.000 0.520 489 E N 0.760 121.066 120.200 0.178 0.000 2.110 489 E HA -0.201 4.150 4.350 0.001 0.000 0.193 489 E C 2.158 178.846 176.600 0.147 0.000 0.988 489 E CA 0.684 57.196 56.400 0.186 0.000 0.804 489 E CB 0.162 30.027 29.700 0.273 0.000 0.745 489 E HN 0.269 nan 8.360 nan 0.000 0.458 490 R N -0.366 120.186 120.500 0.086 0.000 2.115 490 R HA -0.049 4.291 4.340 0.001 0.000 0.226 490 R C 2.330 178.622 176.300 -0.012 0.000 1.100 490 R CA 1.039 57.169 56.100 0.050 0.000 0.980 490 R CB -0.470 29.846 30.300 0.026 0.000 0.875 490 R HN 0.295 nan 8.270 nan 0.000 0.445 491 G N 0.036 108.807 108.800 -0.048 0.000 2.422 491 G HA2 -0.188 3.772 3.960 0.001 0.000 0.218 491 G HA3 -0.188 3.772 3.960 0.001 0.000 0.218 491 G C 1.449 176.283 174.900 -0.110 0.000 1.146 491 G CA 0.637 45.688 45.100 -0.082 0.000 0.769 491 G HN 0.169 nan 8.290 nan 0.000 0.547 492 V N 0.646 120.472 119.914 -0.147 0.000 2.379 492 V HA -0.144 3.977 4.120 0.001 0.000 0.245 492 V C 2.997 178.916 176.094 -0.292 0.000 1.044 492 V CA 2.090 64.256 62.300 -0.222 0.000 1.036 492 V CB -0.191 31.459 31.823 -0.289 0.000 0.664 492 V HN 0.489 nan 8.190 nan 0.000 0.453 493 S N -0.158 115.399 115.700 -0.239 0.000 2.368 493 S HA -0.167 4.303 4.470 0.001 0.000 0.225 493 S C 1.881 176.370 174.600 -0.184 0.000 1.030 493 S CA 1.612 59.635 58.200 -0.296 0.000 0.999 493 S CB -0.280 62.913 63.200 -0.012 0.000 0.844 493 S HN 0.396 nan 8.310 nan 0.000 0.459 494 I N 1.591 122.095 120.570 -0.111 0.000 2.353 494 I HA 0.060 4.230 4.170 0.001 0.000 0.248 494 I C 2.525 178.589 176.117 -0.087 0.000 1.119 494 I CA 1.004 62.257 61.300 -0.078 0.000 1.417 494 I CB -0.535 37.434 38.000 -0.051 0.000 1.078 494 I HN 0.262 nan 8.210 nan 0.000 0.421 495 R N 0.439 120.876 120.500 -0.105 0.000 2.096 495 R HA -0.147 4.193 4.340 0.001 0.000 0.235 495 R C 2.398 178.635 176.300 -0.105 0.000 1.127 495 R CA 1.359 57.404 56.100 -0.091 0.000 0.968 495 R CB -0.057 30.187 30.300 -0.092 0.000 0.861 495 R HN 0.244 nan 8.270 nan 0.000 0.440 496 R N -0.198 120.205 120.500 -0.162 0.000 2.092 496 R HA -0.106 4.235 4.340 0.001 0.000 0.231 496 R C 2.419 178.650 176.300 -0.115 0.000 1.119 496 R CA 1.733 57.733 56.100 -0.166 0.000 0.970 496 R CB -0.131 30.002 30.300 -0.278 0.000 0.864 496 R HN 0.374 nan 8.270 nan 0.000 0.440 497 Q N 0.288 120.025 119.800 -0.105 0.000 2.123 497 Q HA -0.052 4.288 4.340 0.001 0.000 0.199 497 Q C 2.120 178.091 176.000 -0.048 0.000 0.966 497 Q CA 0.994 56.755 55.803 -0.069 0.000 0.845 497 Q CB 0.057 28.760 28.738 -0.058 0.000 0.907 497 Q HN 0.325 nan 8.270 nan 0.000 0.439 498 L N 0.045 121.240 121.223 -0.046 0.000 2.093 498 L HA -0.168 4.172 4.340 0.001 0.000 0.208 498 L C 2.248 179.101 176.870 -0.029 0.000 1.085 498 L CA 0.471 55.293 54.840 -0.030 0.000 0.755 498 L CB -0.316 41.728 42.059 -0.025 0.000 0.904 498 L HN 0.249 nan 8.230 nan 0.000 0.435 499 L N -0.230 120.970 121.223 -0.038 0.000 2.141 499 L HA -0.144 4.196 4.340 0.001 0.000 0.209 499 L C 2.726 179.578 176.870 -0.030 0.000 1.094 499 L CA 1.943 56.764 54.840 -0.033 0.000 0.763 499 L CB -0.522 41.512 42.059 -0.042 0.000 0.908 499 L HN 0.333 nan 8.230 nan 0.000 0.437 500 S N -1.306 114.372 115.700 -0.036 0.000 2.423 500 S HA -0.196 4.274 4.470 0.001 0.000 0.231 500 S C 1.932 176.520 174.600 -0.020 0.000 1.014 500 S CA 1.019 59.201 58.200 -0.030 0.000 0.965 500 S CB -0.589 62.589 63.200 -0.037 0.000 0.785 500 S HN 0.543 nan 8.310 nan 0.000 0.495 501 K N 1.084 121.473 120.400 -0.018 0.000 2.365 501 K HA 0.090 4.411 4.320 0.001 0.000 0.199 501 K C 1.748 178.342 176.600 -0.009 0.000 1.045 501 K CA 0.876 57.156 56.287 -0.012 0.000 0.962 501 K CB -0.032 32.462 32.500 -0.011 0.000 0.759 501 K HN 0.426 nan 8.250 nan 0.000 0.469 502 K N 0.349 120.743 120.400 -0.010 0.000 2.393 502 K HA 0.136 4.457 4.320 0.001 0.000 0.193 502 K C 0.228 176.824 176.600 -0.006 0.000 1.026 502 K CA 0.079 56.361 56.287 -0.007 0.000 1.064 502 K CB 0.288 32.784 32.500 -0.008 0.000 0.833 502 K HN 0.014 nan 8.250 nan 0.000 0.521 503 L N 0.919 122.138 121.223 -0.008 0.000 2.399 503 L HA 0.114 4.455 4.340 0.001 0.000 0.266 503 L C 1.713 178.581 176.870 -0.003 0.000 1.114 503 L CA -0.414 54.423 54.840 -0.005 0.000 0.804 503 L CB 1.446 43.501 42.059 -0.007 0.000 1.146 503 L HN 0.076 nan 8.230 nan 0.000 0.451 504 S N 0.099 115.798 115.700 -0.001 0.000 2.402 504 S HA -0.135 4.335 4.470 0.001 0.000 0.229 504 S C 0.677 175.277 174.600 0.001 0.000 1.021 504 S CA 0.646 58.846 58.200 0.000 0.000 0.974 504 S CB -0.104 63.097 63.200 0.001 0.000 0.800 504 S HN 0.657 nan 8.310 nan 0.000 0.484 505 E N 2.510 122.712 120.200 0.002 0.000 2.183 505 E HA 0.382 4.732 4.350 0.001 0.000 0.250 505 E C -2.023 174.578 176.600 0.002 0.000 0.901 505 E CA -2.724 53.679 56.400 0.005 0.000 0.741 505 E CB 1.632 31.337 29.700 0.009 0.000 1.182 505 E HN 0.116 nan 8.360 nan 0.000 0.425 506 P HA -0.110 nan 4.420 nan 0.000 0.226 506 P C 0.546 177.841 177.300 -0.009 0.000 1.153 506 P CA 0.686 63.782 63.100 -0.007 0.000 0.777 506 P CB 0.242 31.937 31.700 -0.008 0.000 0.794 507 S N -2.120 113.579 115.700 -0.001 0.000 2.679 507 S HA 0.168 4.638 4.470 0.001 0.000 0.233 507 S C 1.623 176.230 174.600 0.012 0.000 0.951 507 S CA -0.228 57.972 58.200 -0.000 0.000 0.973 507 S CB -0.827 62.377 63.200 0.008 0.000 0.778 507 S HN -0.075 nan 8.310 nan 0.000 0.477 508 S N 1.915 117.621 115.700 0.010 0.000 2.382 508 S HA 0.132 4.603 4.470 0.001 0.000 0.228 508 S C 1.379 175.995 174.600 0.027 0.000 1.027 508 S CA 0.966 59.179 58.200 0.022 0.000 0.991 508 S CB -0.372 62.835 63.200 0.011 0.000 0.823 508 S HN 0.627 nan 8.310 nan 0.000 0.469 509 L N 1.321 122.543 121.223 -0.002 0.000 2.612 509 L HA 0.120 4.460 4.340 0.001 0.000 0.230 509 L C 2.136 178.992 176.870 -0.023 0.000 1.140 509 L CA 0.080 54.912 54.840 -0.014 0.000 0.896 509 L CB -0.490 41.539 42.059 -0.049 0.000 1.065 509 L HN 0.316 nan 8.230 nan 0.000 0.447 510 Q N 0.223 120.000 119.800 -0.037 0.000 2.062 510 Q HA -0.237 4.103 4.340 0.001 0.000 0.209 510 Q C 1.208 177.043 176.000 -0.276 0.000 0.996 510 Q CA 2.139 57.837 55.803 -0.176 0.000 0.859 510 Q CB -0.125 28.465 28.738 -0.246 0.000 0.920 510 Q HN 0.552 nan 8.270 nan 0.000 0.415 511 Y N -0.809 119.487 120.300 -0.006 0.000 2.457 511 Y HA 0.150 4.700 4.550 0.001 0.000 0.263 511 Y C 0.097 175.973 175.900 -0.040 0.000 1.164 511 Y CA -0.591 57.500 58.100 -0.015 0.000 1.274 511 Y CB 0.584 39.036 38.460 -0.013 0.000 1.097 511 Y HN 0.086 nan 8.280 nan 0.000 0.523 512 L N 4.661 125.915 121.223 0.052 0.000 2.325 512 L HA 0.347 4.687 4.340 0.001 0.000 0.284 512 L C -2.360 174.465 176.870 -0.075 0.000 1.089 512 L CA -2.168 52.654 54.840 -0.029 0.000 0.836 512 L CB 0.118 42.160 42.059 -0.028 0.000 1.184 512 L HN -0.149 nan 8.230 nan 0.000 0.444 513 P HA 0.163 nan 4.420 nan 0.000 0.274 513 P C -0.995 176.097 177.300 -0.347 0.000 1.246 513 P CA 0.155 63.055 63.100 -0.334 0.000 0.795 513 P CB 0.828 32.187 31.700 -0.569 0.000 1.006 514 Y N -2.331 117.857 120.300 -0.187 0.000 2.551 514 Y HA 0.396 4.947 4.550 0.001 0.000 0.297 514 Y C 0.489 176.653 175.900 0.440 0.000 0.968 514 Y CA -0.618 57.578 58.100 0.159 0.000 1.039 514 Y CB -0.150 38.380 38.460 0.116 0.000 1.418 514 Y HN -0.000 nan 8.280 nan 0.000 0.589 515 R N 2.649 122.941 120.500 -0.346 0.000 2.615 515 R HA 0.172 4.513 4.340 0.001 0.000 0.270 515 R C -0.387 175.976 176.300 0.104 0.000 1.081 515 R CA 0.490 56.463 56.100 -0.212 0.000 1.154 515 R CB 0.046 30.110 30.300 -0.392 0.000 1.063 515 R HN 0.266 nan 8.270 nan 0.000 0.519 516 D N 0.233 120.690 120.400 0.096 0.000 2.708 516 D HA -0.265 4.375 4.640 0.001 0.000 0.236 516 D C -1.071 175.258 176.300 0.047 0.000 1.146 516 D CA 1.238 55.276 54.000 0.063 0.000 0.662 516 D CB -1.103 39.713 40.800 0.027 0.000 1.059 516 D HN 0.401 nan 8.370 nan 0.000 0.428 517 Y N 0.726 120.961 120.300 -0.108 0.000 2.429 517 Y HA 0.391 4.942 4.550 0.001 0.000 0.342 517 Y C 0.104 175.743 175.900 -0.435 0.000 1.004 517 Y CA -1.415 56.452 58.100 -0.388 0.000 1.075 517 Y CB 1.152 39.239 38.460 -0.622 0.000 1.214 517 Y HN -0.203 nan 8.280 nan 0.000 0.455 518 N N 4.604 122.648 118.700 -1.092 0.000 2.466 518 N HA 0.008 4.749 4.740 0.001 0.000 0.263 518 N C -0.488 174.611 175.510 -0.684 0.000 1.178 518 N CA 0.496 53.123 53.050 -0.705 0.000 0.983 518 N CB -0.352 37.794 38.487 -0.568 0.000 1.331 518 N HN 0.722 nan 8.380 nan 0.000 0.500 519 Y N 0.418 120.621 120.300 -0.162 0.000 2.546 519 Y HA -0.073 4.478 4.550 0.001 0.000 0.287 519 Y C 2.369 178.082 175.900 -0.310 0.000 1.158 519 Y CA 0.402 58.468 58.100 -0.058 0.000 1.307 519 Y CB 0.145 38.657 38.460 0.088 0.000 1.036 519 Y HN 0.571 nan 8.280 nan 0.000 0.532 520 S N 0.028 115.569 115.700 -0.266 0.000 2.399 520 S HA -0.168 4.303 4.470 0.001 0.000 0.231 520 S C 1.541 176.043 174.600 -0.164 0.000 1.022 520 S CA 1.134 59.139 58.200 -0.325 0.000 0.983 520 S CB -0.678 62.407 63.200 -0.191 0.000 0.803 520 S HN 0.536 nan 8.310 nan 0.000 0.480 521 L N 0.744 121.890 121.223 -0.128 0.000 2.558 521 L HA 0.241 4.581 4.340 0.001 0.000 0.225 521 L C 1.964 178.826 176.870 -0.015 0.000 1.128 521 L CA -0.036 54.760 54.840 -0.072 0.000 0.868 521 L CB -0.006 41.997 42.059 -0.094 0.000 1.006 521 L HN 0.219 nan 8.230 nan 0.000 0.454 522 V N -1.517 118.413 119.914 0.027 0.000 2.581 522 V HA 0.072 4.193 4.120 0.001 0.000 0.240 522 V C 1.226 177.386 176.094 0.110 0.000 1.054 522 V CA 0.442 62.811 62.300 0.115 0.000 1.076 522 V CB -0.045 31.935 31.823 0.261 0.000 0.748 522 V HN 0.192 nan 8.190 nan 0.000 0.474 523 M N 0.937 120.600 119.600 0.104 0.000 2.238 523 M HA 0.321 4.801 4.480 0.001 0.000 0.350 523 M C 1.346 177.696 176.300 0.084 0.000 1.321 523 M CA 0.591 55.961 55.300 0.116 0.000 1.097 523 M CB -1.079 31.625 32.600 0.174 0.000 1.713 523 M HN 0.459 nan 8.290 nan 0.000 0.455 524 G N 2.418 111.265 108.800 0.080 0.000 2.160 524 G HA2 -0.067 3.894 3.960 0.001 0.000 0.251 524 G HA3 -0.067 3.894 3.960 0.001 0.000 0.251 524 G C 0.487 175.417 174.900 0.050 0.000 1.008 524 G CA 0.715 45.852 45.100 0.062 0.000 0.724 524 G HN 1.145 nan 8.290 nan 0.000 0.514 525 A N -3.166 119.686 122.820 0.052 0.000 1.626 525 A HA 0.460 4.781 4.320 0.001 0.000 0.201 525 A C 1.592 179.202 177.584 0.045 0.000 1.920 525 A CA 1.619 53.681 52.037 0.041 0.000 1.499 525 A CB -0.222 18.797 19.000 0.031 0.000 1.498 525 A HN 0.941 nan 8.150 nan 0.000 0.333 526 C N -1.281 118.054 119.300 0.059 0.000 3.276 526 C HA 0.587 5.047 4.460 0.001 0.000 0.512 526 C C 0.492 175.525 174.990 0.072 0.000 1.376 526 C CA 0.175 59.230 59.018 0.062 0.000 2.319 526 C CB -0.022 27.759 27.740 0.069 0.000 3.330 526 C HN 0.698 nan 8.230 nan 0.000 0.596 527 C N 1.501 120.853 119.300 0.087 0.000 3.090 527 C HA 0.644 5.104 4.460 0.001 0.000 0.347 527 C C -1.839 173.204 174.990 0.089 0.000 1.147 527 C CA -0.219 58.852 59.018 0.088 0.000 1.305 527 C CB 0.956 28.759 27.740 0.106 0.000 1.692 527 C HN 0.528 nan 8.230 nan 0.000 0.506 528 E N 2.259 122.503 120.200 0.072 0.000 2.263 528 E HA 0.554 4.904 4.350 0.001 0.000 0.264 528 E C -0.264 176.368 176.600 0.055 0.000 0.923 528 E CA -0.379 56.060 56.400 0.066 0.000 0.802 528 E CB 0.623 30.359 29.700 0.060 0.000 1.228 528 E HN 0.596 nan 8.360 nan 0.000 0.417 529 N N -0.546 118.181 118.700 0.045 0.000 2.738 529 N HA -0.140 4.600 4.740 0.001 0.000 0.249 529 N C -1.108 174.413 175.510 0.018 0.000 1.047 529 N CA 0.410 53.476 53.050 0.027 0.000 0.707 529 N CB -1.655 36.848 38.487 0.027 0.000 0.937 529 N HN 0.197 nan 8.380 nan 0.000 0.545 530 V N 1.346 121.274 119.914 0.022 0.000 2.508 530 V HA 0.118 4.239 4.120 0.001 0.000 0.281 530 V C 1.893 177.974 176.094 -0.022 0.000 1.041 530 V CA -0.027 62.294 62.300 0.035 0.000 1.016 530 V CB 0.724 32.601 31.823 0.090 0.000 0.984 530 V HN 0.404 nan 8.190 nan 0.000 0.478 531 I N 1.816 122.380 120.570 -0.010 0.000 4.025 531 I HA 0.765 4.935 4.170 0.001 0.000 0.336 531 I C 0.732 176.831 176.117 -0.030 0.000 1.390 531 I CA 0.297 61.558 61.300 -0.065 0.000 1.099 531 I CB 0.256 38.216 38.000 -0.067 0.000 1.049 531 I HN 0.720 nan 8.210 nan 0.000 0.394 532 G N 1.451 110.309 108.800 0.096 0.000 2.291 532 G HA2 0.146 4.107 3.960 0.001 0.000 0.249 532 G HA3 0.146 4.107 3.960 0.001 0.000 0.249 532 G C -1.739 173.261 174.900 0.167 0.000 1.340 532 G CA -0.287 44.927 45.100 0.191 0.000 1.017 532 G HN 0.445 nan 8.290 nan 0.000 0.470 533 Y N -2.357 117.936 120.300 -0.011 0.000 2.588 533 Y HA 0.879 5.430 4.550 0.001 0.000 0.343 533 Y C -0.517 175.344 175.900 -0.065 0.000 1.065 533 Y CA -1.900 56.110 58.100 -0.149 0.000 1.038 533 Y CB 2.052 40.240 38.460 -0.453 0.000 1.297 533 Y HN 0.781 nan 8.280 nan 0.000 0.467 534 M N 4.015 123.690 119.600 0.125 0.000 2.043 534 M HA 0.572 5.053 4.480 0.001 0.000 0.322 534 M C -3.014 173.373 176.300 0.145 0.000 0.962 534 M CA -2.957 52.387 55.300 0.073 0.000 0.927 534 M CB 0.826 33.453 32.600 0.045 0.000 1.466 534 M HN 0.471 nan 8.290 nan 0.000 0.412 535 P HA 0.242 nan 4.420 nan 0.000 0.271 535 P C -1.133 176.218 177.300 0.085 0.000 1.233 535 P CA -0.063 63.130 63.100 0.156 0.000 0.764 535 P CB 0.127 31.923 31.700 0.160 0.000 0.825 536 I N 5.482 126.094 120.570 0.071 0.000 2.339 536 I HA 0.279 4.450 4.170 0.001 0.000 0.290 536 I C -2.051 174.091 176.117 0.043 0.000 0.994 536 I CA -3.187 58.142 61.300 0.049 0.000 1.191 536 I CB 0.753 38.779 38.000 0.043 0.000 1.343 536 I HN 0.147 nan 8.210 nan 0.000 0.458 537 P HA 0.077 nan 4.420 nan 0.000 0.264 537 P C -0.527 176.789 177.300 0.027 0.000 1.183 537 P CA 0.067 63.185 63.100 0.031 0.000 0.763 537 P CB 0.559 32.274 31.700 0.025 0.000 0.807 538 V N 3.372 123.301 119.914 0.026 0.000 2.409 538 V HA 0.666 4.787 4.120 0.001 0.000 0.291 538 V C 0.777 176.883 176.094 0.020 0.000 1.020 538 V CA -0.261 62.053 62.300 0.023 0.000 0.848 538 V CB 1.563 33.399 31.823 0.022 0.000 0.990 538 V HN 0.768 nan 8.190 nan 0.000 0.430 539 G N 2.418 111.230 108.800 0.019 0.000 2.597 539 G HA2 0.684 4.644 3.960 0.001 0.000 0.317 539 G HA3 0.684 4.644 3.960 0.001 0.000 0.317 539 G C -1.366 173.546 174.900 0.019 0.000 1.230 539 G CA -0.729 44.382 45.100 0.018 0.000 0.996 539 G HN 0.659 nan 8.290 nan 0.000 0.490 540 V N -0.474 119.451 119.914 0.019 0.000 2.656 540 V HA 0.790 4.910 4.120 0.001 0.000 0.307 540 V C -0.438 175.670 176.094 0.023 0.000 1.051 540 V CA -0.502 61.811 62.300 0.023 0.000 0.893 540 V CB 1.469 33.306 31.823 0.024 0.000 0.999 540 V HN 1.332 nan 8.190 nan 0.000 0.426 541 A N 4.615 127.451 122.820 0.027 0.000 2.311 541 A HA 1.017 5.338 4.320 0.001 0.000 0.306 541 A C 0.078 177.685 177.584 0.038 0.000 1.189 541 A CA 0.254 52.308 52.037 0.027 0.000 0.791 541 A CB 1.116 20.129 19.000 0.022 0.000 1.172 541 A HN 1.998 nan 8.150 nan 0.000 0.481 542 G N 1.821 110.642 108.800 0.035 0.000 2.320 542 G HA2 0.585 4.545 3.960 0.001 0.000 0.296 542 G HA3 0.585 4.545 3.960 0.001 0.000 0.296 542 G C -3.452 171.465 174.900 0.028 0.000 1.306 542 G CA -0.587 44.539 45.100 0.043 0.000 0.836 542 G HN 0.580 nan 8.290 nan 0.000 0.517 543 P HA 0.413 nan 4.420 nan 0.000 0.276 543 P C -0.658 176.674 177.300 0.052 0.000 1.235 543 P CA -0.347 62.774 63.100 0.034 0.000 0.772 543 P CB 1.728 33.434 31.700 0.009 0.000 0.871 544 L N 5.247 126.527 121.223 0.096 0.000 2.261 544 L HA 0.248 4.588 4.340 0.001 0.000 0.289 544 L C -0.567 176.390 176.870 0.146 0.000 1.059 544 L CA -0.346 54.565 54.840 0.119 0.000 0.816 544 L CB -0.251 41.896 42.059 0.147 0.000 1.191 544 L HN 0.365 nan 8.230 nan 0.000 0.431 545 C N 6.388 125.740 119.300 0.088 0.000 2.289 545 C HA 0.541 5.002 4.460 0.001 0.000 0.340 545 C C -0.032 175.018 174.990 0.100 0.000 1.152 545 C CA -0.677 58.382 59.018 0.068 0.000 1.650 545 C CB -0.943 26.816 27.740 0.031 0.000 2.203 545 C HN 0.703 nan 8.230 nan 0.000 0.511 546 L N 4.390 125.711 121.223 0.165 0.000 2.441 546 L HA 0.459 4.799 4.340 0.001 0.000 0.270 546 L C -0.378 176.603 176.870 0.185 0.000 0.973 546 L CA 0.526 55.476 54.840 0.182 0.000 0.842 546 L CB 0.848 43.051 42.059 0.240 0.000 1.239 546 L HN 0.689 nan 8.230 nan 0.000 0.406 547 D N 4.329 124.793 120.400 0.107 0.000 2.699 547 D HA -0.227 4.413 4.640 0.001 0.000 0.239 547 D C 0.316 176.653 176.300 0.061 0.000 1.136 547 D CA 1.262 55.313 54.000 0.085 0.000 0.668 547 D CB -0.457 40.405 40.800 0.103 0.000 1.060 547 D HN 0.979 nan 8.370 nan 0.000 0.429 548 E N -2.364 117.858 120.200 0.037 0.000 3.370 548 E HA -0.276 4.074 4.350 0.001 0.000 0.291 548 E C 0.281 176.861 176.600 -0.033 0.000 0.916 548 E CA 1.273 57.675 56.400 0.005 0.000 0.981 548 E CB -0.532 29.171 29.700 0.005 0.000 1.498 548 E HN 0.520 nan 8.360 nan 0.000 0.452 549 K N 0.145 120.513 120.400 -0.053 0.000 2.306 549 K HA 0.550 4.870 4.320 0.001 0.000 0.236 549 K C -0.445 175.988 176.600 -0.278 0.000 1.013 549 K CA -0.649 55.510 56.287 -0.213 0.000 0.857 549 K CB 1.553 33.849 32.500 -0.339 0.000 1.214 549 K HN -0.059 nan 8.250 nan 0.000 0.449 550 E N 1.054 120.982 120.200 -0.452 0.000 2.224 550 E HA 0.331 4.681 4.350 0.001 0.000 0.265 550 E C -1.483 174.819 176.600 -0.498 0.000 0.878 550 E CA -0.469 55.741 56.400 -0.317 0.000 0.759 550 E CB 1.247 30.852 29.700 -0.158 0.000 1.164 550 E HN 0.247 nan 8.360 nan 0.000 0.414 551 F N 1.515 121.465 119.950 -0.001 0.000 2.508 551 F HA 0.298 4.826 4.527 0.001 0.000 0.325 551 F C 0.276 176.076 175.800 -0.000 0.000 1.090 551 F CA -0.992 57.008 58.000 -0.001 0.000 0.945 551 F CB 1.684 40.684 39.000 0.000 0.000 1.156 551 F HN 0.116 nan 8.300 nan 0.000 0.463 552 Q N 3.110 123.018 119.800 0.180 0.000 2.400 552 Q HA 0.368 4.708 4.340 0.001 0.000 0.255 552 Q C -0.846 175.217 176.000 0.105 0.000 1.008 552 Q CA -0.509 55.358 55.803 0.106 0.000 0.841 552 Q CB 2.035 30.809 28.738 0.061 0.000 1.220 552 Q HN 0.387 nan 8.270 nan 0.000 0.474 553 V N 5.863 125.826 119.914 0.082 0.000 2.364 553 V HA 0.280 4.401 4.120 0.001 0.000 0.272 553 V C -1.969 174.146 176.094 0.035 0.000 1.036 553 V CA -1.594 60.737 62.300 0.053 0.000 0.880 553 V CB 1.063 32.905 31.823 0.032 0.000 0.991 553 V HN 0.538 nan 8.190 nan 0.000 0.460 554 P HA 0.434 nan 4.420 nan 0.000 0.284 554 P C -0.921 176.393 177.300 0.022 0.000 1.253 554 P CA -0.464 62.651 63.100 0.025 0.000 0.800 554 P CB 1.010 32.724 31.700 0.024 0.000 0.961 555 M N 2.158 121.770 119.600 0.020 0.000 2.122 555 M HA 0.427 4.907 4.480 0.001 0.000 0.269 555 M C -0.579 175.732 176.300 0.019 0.000 0.954 555 M CA -0.592 54.718 55.300 0.017 0.000 0.998 555 M CB 2.335 34.940 32.600 0.008 0.000 1.755 555 M HN 0.283 nan 8.290 nan 0.000 0.459 556 A N 2.536 125.371 122.820 0.025 0.000 2.310 556 A HA 0.731 5.052 4.320 0.001 0.000 0.300 556 A C -0.115 177.482 177.584 0.021 0.000 1.269 556 A CA -0.086 51.966 52.037 0.026 0.000 0.909 556 A CB 0.464 19.484 19.000 0.033 0.000 1.144 556 A HN 0.727 nan 8.150 nan 0.000 0.540 557 T N 0.281 114.846 114.554 0.018 0.000 2.840 557 T HA 0.524 4.874 4.350 0.001 0.000 0.317 557 T C 0.514 175.224 174.700 0.016 0.000 1.401 557 T CA 0.338 62.447 62.100 0.014 0.000 1.028 557 T CB 1.353 70.226 68.868 0.008 0.000 1.317 557 T HN 0.933 nan 8.240 nan 0.000 0.495 558 T N -0.644 113.918 114.554 0.013 0.000 3.132 558 T HA 0.373 4.723 4.350 0.001 0.000 0.274 558 T C 0.267 174.974 174.700 0.011 0.000 1.011 558 T CA -0.302 61.805 62.100 0.012 0.000 0.899 558 T CB -0.019 68.855 68.868 0.011 0.000 1.089 558 T HN 0.568 nan 8.240 nan 0.000 0.543 559 E N 1.544 121.752 120.200 0.013 0.000 2.130 559 E HA 0.512 4.863 4.350 0.001 0.000 0.284 559 E C 0.614 177.225 176.600 0.018 0.000 1.018 559 E CA -0.728 55.682 56.400 0.016 0.000 0.817 559 E CB 0.417 30.129 29.700 0.020 0.000 1.078 559 E HN 0.453 nan 8.360 nan 0.000 0.396 560 G N 2.713 111.522 108.800 0.016 0.000 2.432 560 G HA2 0.070 4.030 3.960 0.001 0.000 0.239 560 G HA3 0.070 4.030 3.960 0.001 0.000 0.239 560 G C 0.567 175.480 174.900 0.022 0.000 1.291 560 G CA 0.032 45.142 45.100 0.016 0.000 0.863 560 G HN 0.977 nan 8.290 nan 0.000 0.560 561 C N 0.904 120.217 119.300 0.022 0.000 4.784 561 C HA -0.193 4.268 4.460 0.001 0.000 0.261 561 C C 2.245 177.259 174.990 0.039 0.000 1.492 561 C CA 0.506 59.540 59.018 0.027 0.000 1.622 561 C CB -2.216 25.539 27.740 0.024 0.000 1.855 561 C HN 0.830 nan 8.230 nan 0.000 0.662 562 L N 1.548 122.797 121.223 0.043 0.000 2.027 562 L HA 0.007 4.347 4.340 0.001 0.000 0.206 562 L C 2.308 179.203 176.870 0.041 0.000 1.074 562 L CA 2.551 57.425 54.840 0.057 0.000 0.745 562 L CB -0.603 41.480 42.059 0.040 0.000 0.898 562 L HN 0.312 nan 8.230 nan 0.000 0.433 563 V N 0.181 120.111 119.914 0.026 0.000 2.358 563 V HA -0.223 3.897 4.120 0.001 0.000 0.246 563 V C 2.804 178.912 176.094 0.024 0.000 1.047 563 V CA 1.488 63.800 62.300 0.021 0.000 1.035 563 V CB -1.342 30.491 31.823 0.017 0.000 0.658 563 V HN 0.596 nan 8.190 nan 0.000 0.452 564 A N -0.735 122.099 122.820 0.024 0.000 1.933 564 A HA -0.216 4.105 4.320 0.001 0.000 0.218 564 A C 2.551 180.150 177.584 0.024 0.000 1.175 564 A CA 2.157 54.206 52.037 0.021 0.000 0.628 564 A CB -0.672 18.338 19.000 0.018 0.000 0.814 564 A HN 0.474 nan 8.150 nan 0.000 0.444 565 S N -0.964 114.757 115.700 0.036 0.000 2.355 565 S HA -0.123 4.347 4.470 0.001 0.000 0.222 565 S C 2.050 176.681 174.600 0.050 0.000 1.031 565 S CA 2.078 60.305 58.200 0.045 0.000 0.993 565 S CB -0.561 62.682 63.200 0.072 0.000 0.859 565 S HN 0.600 nan 8.310 nan 0.000 0.453 566 T N 1.777 116.363 114.554 0.052 0.000 2.833 566 T HA -0.060 4.291 4.350 0.001 0.000 0.269 566 T C 1.702 176.418 174.700 0.026 0.000 1.054 566 T CA 1.513 63.636 62.100 0.037 0.000 1.135 566 T CB -0.599 68.278 68.868 0.015 0.000 0.869 566 T HN 0.515 nan 8.240 nan 0.000 0.466 567 N N 1.024 119.738 118.700 0.024 0.000 2.188 567 N HA -0.056 4.684 4.740 0.001 0.000 0.184 567 N C 1.963 177.483 175.510 0.016 0.000 1.018 567 N CA 0.838 53.900 53.050 0.020 0.000 0.858 567 N CB -0.109 38.388 38.487 0.018 0.000 0.989 567 N HN 0.217 nan 8.380 nan 0.000 0.426 568 R N -0.212 120.297 120.500 0.014 0.000 2.092 568 R HA -0.045 4.295 4.340 0.001 0.000 0.231 568 R C 1.977 178.281 176.300 0.008 0.000 1.119 568 R CA 1.514 57.617 56.100 0.007 0.000 0.970 568 R CB -0.734 29.566 30.300 0.001 0.000 0.864 568 R HN 0.332 nan 8.270 nan 0.000 0.440 569 G N 0.445 109.254 108.800 0.016 0.000 2.418 569 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 569 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 569 G C 1.630 176.538 174.900 0.013 0.000 1.158 569 G CA 0.894 46.003 45.100 0.016 0.000 0.771 569 G HN 0.411 nan 8.290 nan 0.000 0.545 570 C N -0.046 119.264 119.300 0.018 0.000 2.429 570 C HA 0.022 4.483 4.460 0.001 0.000 0.277 570 C C 2.864 177.864 174.990 0.017 0.000 1.262 570 C CA 1.021 60.052 59.018 0.021 0.000 1.733 570 C CB -0.765 26.992 27.740 0.028 0.000 2.010 570 C HN 0.599 nan 8.230 nan 0.000 0.483 571 R N 1.634 122.141 120.500 0.012 0.000 2.081 571 R HA -0.079 4.261 4.340 0.001 0.000 0.235 571 R C 2.091 178.394 176.300 0.005 0.000 1.131 571 R CA 1.980 58.084 56.100 0.007 0.000 0.960 571 R CB -0.508 29.794 30.300 0.004 0.000 0.856 571 R HN 0.421 nan 8.270 nan 0.000 0.436 572 A N 0.555 123.377 122.820 0.003 0.000 1.898 572 A HA -0.075 4.245 4.320 0.001 0.000 0.216 572 A C 2.219 179.804 177.584 0.002 0.000 1.181 572 A CA 1.542 53.579 52.037 -0.000 0.000 0.620 572 A CB -0.498 18.500 19.000 -0.003 0.000 0.819 572 A HN 0.396 nan 8.150 nan 0.000 0.442 573 I N -0.393 120.179 120.570 0.004 0.000 2.315 573 I HA -0.154 4.017 4.170 0.001 0.000 0.248 573 I C 2.654 178.777 176.117 0.010 0.000 1.117 573 I CA 1.050 62.352 61.300 0.005 0.000 1.404 573 I CB -0.474 37.531 38.000 0.007 0.000 1.071 573 I HN 0.385 nan 8.210 nan 0.000 0.419 574 G N 0.805 109.613 108.800 0.012 0.000 2.408 574 G HA2 -0.157 3.803 3.960 0.001 0.000 0.217 574 G HA3 -0.157 3.803 3.960 0.001 0.000 0.217 574 G C 1.673 176.578 174.900 0.008 0.000 1.150 574 G CA 0.402 45.509 45.100 0.012 0.000 0.776 574 G HN 0.277 nan 8.290 nan 0.000 0.542 575 L N 0.604 121.830 121.223 0.006 0.000 2.395 575 L HA 0.149 4.489 4.340 0.001 0.000 0.218 575 L C 2.652 179.526 176.870 0.007 0.000 1.130 575 L CA 0.533 55.376 54.840 0.005 0.000 0.826 575 L CB 0.029 42.090 42.059 0.003 0.000 0.941 575 L HN 0.299 nan 8.230 nan 0.000 0.451 576 G N -1.319 107.486 108.800 0.008 0.000 3.233 576 G HA2 0.303 4.263 3.960 0.001 0.000 0.227 576 G HA3 0.303 4.263 3.960 0.001 0.000 0.227 576 G C 1.191 176.100 174.900 0.015 0.000 1.175 576 G CA 0.458 45.565 45.100 0.012 0.000 0.781 576 G HN 0.441 nan 8.290 nan 0.000 0.542 577 G N -1.555 107.253 108.800 0.013 0.000 2.175 577 G HA2 0.303 4.263 3.960 0.001 0.000 0.244 577 G HA3 0.303 4.263 3.960 0.001 0.000 0.244 577 G C 0.865 175.776 174.900 0.018 0.000 0.982 577 G CA 0.476 45.585 45.100 0.015 0.000 0.641 577 G HN 2.134 nan 8.290 nan 0.000 0.527 578 G N -1.254 107.557 108.800 0.018 0.000 2.662 578 G HA2 0.500 4.461 3.960 0.001 0.000 0.686 578 G HA3 0.500 4.461 3.960 0.001 0.000 0.686 578 G C 0.061 174.975 174.900 0.023 0.000 1.271 578 G CA 0.769 45.883 45.100 0.023 0.000 0.816 578 G HN 2.189 nan 8.290 nan 0.000 0.608 579 A N 0.060 122.897 122.820 0.027 0.000 2.282 579 A HA 0.950 5.271 4.320 0.001 0.000 0.319 579 A C 0.486 178.089 177.584 0.032 0.000 1.121 579 A CA 0.474 52.523 52.037 0.019 0.000 0.836 579 A CB 1.462 20.468 19.000 0.010 0.000 1.146 579 A HN 1.901 nan 8.150 nan 0.000 0.494 580 S N 0.029 115.744 115.700 0.026 0.000 2.526 580 S HA 0.760 5.230 4.470 0.001 0.000 0.293 580 S C -0.364 174.250 174.600 0.024 0.000 1.092 580 S CA -0.338 57.883 58.200 0.034 0.000 0.980 580 S CB 1.631 64.855 63.200 0.040 0.000 1.048 580 S HN 1.315 nan 8.310 nan 0.000 0.483 581 S N 2.434 118.148 115.700 0.024 0.000 2.627 581 S HA 0.834 5.304 4.470 0.001 0.000 0.283 581 S C -1.514 173.093 174.600 0.012 0.000 1.127 581 S CA -1.128 57.080 58.200 0.012 0.000 0.863 581 S CB 1.602 64.802 63.200 0.000 0.000 1.121 581 S HN 0.507 nan 8.310 nan 0.000 0.479 582 R N 0.651 121.154 120.500 0.005 0.000 2.604 582 R HA 0.485 4.825 4.340 0.001 0.000 0.281 582 R C -1.573 174.723 176.300 -0.007 0.000 1.020 582 R CA -0.691 55.410 56.100 0.002 0.000 0.899 582 R CB 1.860 32.162 30.300 0.004 0.000 1.205 582 R HN 0.630 nan 8.270 nan 0.000 0.450 583 V N 5.141 125.050 119.914 -0.008 0.000 2.427 583 V HA 0.150 4.270 4.120 0.001 0.000 0.268 583 V C 1.646 177.731 176.094 -0.015 0.000 1.046 583 V CA 0.014 62.306 62.300 -0.014 0.000 0.970 583 V CB 0.791 32.606 31.823 -0.013 0.000 1.001 583 V HN 0.626 nan 8.190 nan 0.000 0.476 584 L N 3.854 125.063 121.223 -0.023 0.000 2.354 584 L HA 0.478 4.818 4.340 0.001 0.000 0.212 584 L C 0.959 177.813 176.870 -0.028 0.000 1.091 584 L CA 0.834 55.658 54.840 -0.027 0.000 0.828 584 L CB -0.022 42.012 42.059 -0.040 0.000 0.973 584 L HN 0.744 nan 8.230 nan 0.000 0.461 585 A N -0.732 122.072 122.820 -0.028 0.000 2.609 585 A HA 0.642 4.962 4.320 0.001 0.000 0.291 585 A C -1.898 175.676 177.584 -0.016 0.000 1.096 585 A CA -0.351 51.671 52.037 -0.024 0.000 0.684 585 A CB 1.993 20.972 19.000 -0.035 0.000 1.282 585 A HN -0.017 nan 8.150 nan 0.000 0.412 586 D N -0.828 119.567 120.400 -0.008 0.000 2.738 586 D HA 0.536 5.177 4.640 0.001 0.000 0.218 586 D C -0.647 175.660 176.300 0.011 0.000 1.345 586 D CA 0.968 54.966 54.000 -0.002 0.000 0.943 586 D CB 1.476 42.273 40.800 -0.005 0.000 1.514 586 D HN 1.566 nan 8.370 nan 0.000 0.585 587 G N 2.531 111.341 108.800 0.017 0.000 1.843 587 G HA2 0.373 4.333 3.960 0.001 0.000 0.278 587 G HA3 0.373 4.333 3.960 0.001 0.000 0.278 587 G C -0.829 174.098 174.900 0.045 0.000 1.708 587 G CA -0.925 44.198 45.100 0.038 0.000 0.918 587 G HN 0.387 nan 8.290 nan 0.000 0.661 588 M N 2.495 122.132 119.600 0.063 0.000 2.245 588 M HA 0.693 5.174 4.480 0.001 0.000 0.330 588 M C 0.859 177.222 176.300 0.105 0.000 1.098 588 M CA -0.017 55.328 55.300 0.074 0.000 1.172 588 M CB 0.732 33.379 32.600 0.078 0.000 1.467 588 M HN 0.908 nan 8.290 nan 0.000 0.454 589 T N 1.901 116.517 114.554 0.104 0.000 2.916 589 T HA 0.856 5.207 4.350 0.001 0.000 0.292 589 T C -0.978 173.821 174.700 0.165 0.000 1.064 589 T CA -1.063 61.119 62.100 0.138 0.000 1.011 589 T CB 1.669 70.588 68.868 0.086 0.000 1.152 589 T HN 0.823 nan 8.240 nan 0.000 0.510 590 R N -0.335 120.307 120.500 0.237 0.000 2.604 590 R HA 0.652 4.992 4.340 0.001 0.000 0.281 590 R C -0.457 176.048 176.300 0.343 0.000 1.020 590 R CA -0.367 55.880 56.100 0.246 0.000 0.899 590 R CB 1.782 32.216 30.300 0.224 0.000 1.205 590 R HN 1.097 nan 8.270 nan 0.000 0.450 591 G N 5.008 113.996 108.800 0.314 0.000 4.519 591 G HA2 0.313 4.273 3.960 0.001 0.000 0.336 591 G HA3 0.313 4.273 3.960 0.001 0.000 0.336 591 G C -2.535 172.594 174.900 0.382 0.000 1.491 591 G CA -1.224 44.122 45.100 0.410 0.000 1.008 591 G HN 0.456 nan 8.290 nan 0.000 0.515 592 P HA 0.147 nan 4.420 nan 0.000 0.270 592 P C -0.169 177.213 177.300 0.137 0.000 1.223 592 P CA -0.132 63.105 63.100 0.228 0.000 0.785 592 P CB 2.212 34.050 31.700 0.230 0.000 0.923 593 V N 3.082 122.995 119.914 -0.002 0.000 2.448 593 V HA 0.423 4.543 4.120 0.001 0.000 0.295 593 V C -0.092 175.890 176.094 -0.187 0.000 1.025 593 V CA -0.723 61.397 62.300 -0.299 0.000 0.859 593 V CB 1.433 32.974 31.823 -0.470 0.000 0.988 593 V HN 0.450 nan 8.190 nan 0.000 0.431 594 V N 5.503 125.291 119.914 -0.210 0.000 3.096 594 V HA 0.815 4.935 4.120 0.001 0.000 0.319 594 V C -0.525 175.476 176.094 -0.155 0.000 1.103 594 V CA -0.946 61.286 62.300 -0.115 0.000 1.016 594 V CB 2.167 33.966 31.823 -0.041 0.000 1.090 594 V HN 0.892 nan 8.190 nan 0.000 0.449 595 R N 1.524 121.971 120.500 -0.088 0.000 2.673 595 R HA 0.770 5.110 4.340 0.001 0.000 0.281 595 R C -1.735 174.535 176.300 -0.051 0.000 0.991 595 R CA -0.610 55.443 56.100 -0.078 0.000 0.896 595 R CB 2.111 32.379 30.300 -0.053 0.000 1.201 595 R HN 0.707 nan 8.270 nan 0.000 0.457 596 L N 1.864 123.055 121.223 -0.054 0.000 2.279 596 L HA 0.486 4.827 4.340 0.001 0.000 0.262 596 L C -1.675 175.180 176.870 -0.024 0.000 1.019 596 L CA -1.887 52.928 54.840 -0.041 0.000 0.823 596 L CB 1.964 43.981 42.059 -0.070 0.000 1.358 596 L HN 0.332 nan 8.230 nan 0.000 0.432 597 P HA -0.068 nan 4.420 nan 0.000 0.218 597 P C -0.627 176.669 177.300 -0.006 0.000 1.148 597 P CA 1.349 64.446 63.100 -0.005 0.000 0.822 597 P CB 0.265 31.966 31.700 0.001 0.000 0.784 598 R N -3.005 117.488 120.500 -0.011 0.000 2.774 598 R HA 0.617 4.958 4.340 0.001 0.000 0.272 598 R C 0.682 176.972 176.300 -0.017 0.000 1.000 598 R CA -0.512 55.583 56.100 -0.009 0.000 0.906 598 R CB 0.760 31.059 30.300 -0.003 0.000 1.227 598 R HN -0.268 nan 8.270 nan 0.000 0.468 599 A N 0.313 123.126 122.820 -0.012 0.000 2.019 599 A HA -0.114 4.206 4.320 0.001 0.000 0.219 599 A C 1.636 179.211 177.584 -0.016 0.000 1.164 599 A CA 1.348 53.377 52.037 -0.015 0.000 0.644 599 A CB -0.668 18.329 19.000 -0.005 0.000 0.805 599 A HN 0.770 nan 8.150 nan 0.000 0.449 600 C N -0.216 119.079 119.300 -0.008 0.000 2.425 600 C HA -0.086 4.374 4.460 0.001 0.000 0.277 600 C C 2.292 177.277 174.990 -0.008 0.000 1.280 600 C CA 1.024 60.040 59.018 -0.003 0.000 1.744 600 C CB -0.997 26.747 27.740 0.006 0.000 1.989 600 C HN 0.613 nan 8.230 nan 0.000 0.491 601 D N 1.058 121.448 120.400 -0.017 0.000 2.123 601 D HA -0.087 4.553 4.640 0.001 0.000 0.200 601 D C 2.310 178.550 176.300 -0.100 0.000 0.976 601 D CA 1.827 55.807 54.000 -0.032 0.000 0.831 601 D CB -0.604 40.183 40.800 -0.021 0.000 0.974 601 D HN 0.617 nan 8.370 nan 0.000 0.469 602 S N 1.003 116.647 115.700 -0.094 0.000 2.402 602 S HA -0.028 4.442 4.470 0.001 0.000 0.229 602 S C 2.173 176.707 174.600 -0.109 0.000 1.021 602 S CA 1.011 59.135 58.200 -0.126 0.000 0.974 602 S CB -0.206 62.940 63.200 -0.090 0.000 0.800 602 S HN 0.226 nan 8.310 nan 0.000 0.484 603 A N 1.648 124.429 122.820 -0.064 0.000 1.969 603 A HA -0.043 4.277 4.320 0.001 0.000 0.218 603 A C 2.184 179.751 177.584 -0.028 0.000 1.169 603 A CA 1.424 53.438 52.037 -0.038 0.000 0.635 603 A CB -0.725 18.266 19.000 -0.015 0.000 0.810 603 A HN 0.677 nan 8.150 nan 0.000 0.445 604 E N -0.125 120.056 120.200 -0.033 0.000 2.106 604 E HA -0.115 4.236 4.350 0.001 0.000 0.192 604 E C 1.826 178.402 176.600 -0.040 0.000 0.984 604 E CA 1.323 57.735 56.400 0.021 0.000 0.806 604 E CB -0.054 29.692 29.700 0.078 0.000 0.750 604 E HN 0.351 nan 8.360 nan 0.000 0.458 605 V N 1.555 121.279 119.914 -0.316 0.000 2.358 605 V HA -0.227 3.893 4.120 0.001 0.000 0.246 605 V C 2.507 178.545 176.094 -0.094 0.000 1.047 605 V CA 1.875 63.856 62.300 -0.532 0.000 1.035 605 V CB -0.495 30.896 31.823 -0.720 0.000 0.658 605 V HN 0.244 nan 8.190 nan 0.000 0.452 606 K N 0.380 120.739 120.400 -0.069 0.000 2.026 606 K HA -0.191 4.129 4.320 0.001 0.000 0.208 606 K C 2.202 178.823 176.600 0.034 0.000 1.048 606 K CA 1.672 57.949 56.287 -0.015 0.000 0.929 606 K CB -0.308 32.169 32.500 -0.038 0.000 0.713 606 K HN 0.426 nan 8.250 nan 0.000 0.439 607 A N 0.306 123.160 122.820 0.055 0.000 1.933 607 A HA -0.189 4.132 4.320 0.001 0.000 0.218 607 A C 1.891 179.553 177.584 0.130 0.000 1.175 607 A CA 1.337 53.418 52.037 0.072 0.000 0.628 607 A CB -0.970 18.076 19.000 0.077 0.000 0.814 607 A HN 0.702 nan 8.150 nan 0.000 0.444 608 W N 0.573 121.889 121.300 0.026 0.000 2.358 608 W HA -0.128 4.532 4.660 0.000 0.000 0.303 608 W C 1.681 178.227 176.519 0.046 0.000 1.208 608 W CA 1.849 59.240 57.345 0.077 0.000 1.274 608 W CB -0.244 29.352 29.460 0.227 0.000 1.138 608 W HN 0.247 nan 8.180 nan 0.000 0.515 609 L N 0.289 121.656 121.223 0.241 0.000 2.201 609 L HA -0.159 4.181 4.340 0.001 0.000 0.212 609 L C 2.071 178.926 176.870 -0.025 0.000 1.105 609 L CA 1.415 56.313 54.840 0.097 0.000 0.775 609 L CB -0.647 41.507 42.059 0.158 0.000 0.913 609 L HN 0.026 nan 8.230 nan 0.000 0.440 610 E N -0.684 119.488 120.200 -0.047 0.000 2.371 610 E HA -0.042 4.308 4.350 0.001 0.000 0.194 610 E C 0.826 177.354 176.600 -0.119 0.000 1.012 610 E CA 0.405 56.750 56.400 -0.093 0.000 0.860 610 E CB 0.150 29.806 29.700 -0.074 0.000 0.811 610 E HN 0.472 nan 8.360 nan 0.000 0.502 611 T N -0.854 113.611 114.554 -0.148 0.000 2.918 611 T HA 0.027 4.377 4.350 0.001 0.000 0.302 611 T C 1.455 176.055 174.700 -0.167 0.000 1.045 611 T CA -0.015 61.985 62.100 -0.168 0.000 1.114 611 T CB 1.637 70.373 68.868 -0.220 0.000 0.965 611 T HN 0.019 nan 8.240 nan 0.000 0.540 612 S N 1.244 116.874 115.700 -0.115 0.000 2.419 612 S HA -0.160 4.310 4.470 0.001 0.000 0.233 612 S C 1.544 176.097 174.600 -0.079 0.000 1.016 612 S CA 0.982 59.148 58.200 -0.056 0.000 0.974 612 S CB -0.550 62.625 63.200 -0.042 0.000 0.786 612 S HN 0.809 nan 8.310 nan 0.000 0.492 613 E N 1.740 121.834 120.200 -0.175 0.000 2.072 613 E HA 0.148 4.499 4.350 0.001 0.000 0.190 613 E C 2.327 178.667 176.600 -0.433 0.000 0.982 613 E CA 1.044 57.310 56.400 -0.224 0.000 0.803 613 E CB -0.985 28.599 29.700 -0.193 0.000 0.755 613 E HN 0.615 nan 8.360 nan 0.000 0.453 614 G N 0.109 108.434 108.800 -0.791 0.000 2.402 614 G HA2 -0.264 3.696 3.960 0.001 0.000 0.216 614 G HA3 -0.264 3.696 3.960 0.001 0.000 0.216 614 G C 1.444 175.906 174.900 -0.730 0.000 1.162 614 G CA 0.499 44.668 45.100 -1.552 0.000 0.777 614 G HN 0.283 nan 8.290 nan 0.000 0.539 615 F N 2.514 122.185 119.950 -0.464 0.000 2.171 615 F HA 0.090 4.618 4.527 0.001 0.000 0.300 615 F C 2.690 178.411 175.800 -0.131 0.000 1.090 615 F CA 1.159 59.027 58.000 -0.220 0.000 1.293 615 F CB -0.159 38.741 39.000 -0.168 0.000 1.013 615 F HN 0.220 nan 8.300 nan 0.000 0.486 616 A N -0.234 122.474 122.820 -0.186 0.000 1.898 616 A HA -0.104 4.216 4.320 0.001 0.000 0.216 616 A C 2.307 179.787 177.584 -0.174 0.000 1.181 616 A CA 1.860 53.786 52.037 -0.185 0.000 0.620 616 A CB -1.331 17.632 19.000 -0.063 0.000 0.819 616 A HN 0.259 nan 8.150 nan 0.000 0.442 617 V N 0.519 120.352 119.914 -0.136 0.000 2.358 617 V HA -0.214 3.907 4.120 0.001 0.000 0.246 617 V C 2.401 178.521 176.094 0.043 0.000 1.047 617 V CA 1.639 63.938 62.300 -0.001 0.000 1.035 617 V CB -0.579 31.284 31.823 0.066 0.000 0.658 617 V HN 0.506 nan 8.190 nan 0.000 0.452 618 I N 0.196 120.767 120.570 0.002 0.000 2.315 618 I HA -0.188 3.982 4.170 0.001 0.000 0.248 618 I C 2.397 178.515 176.117 0.001 0.000 1.117 618 I CA 1.618 62.973 61.300 0.093 0.000 1.404 618 I CB -1.123 36.971 38.000 0.157 0.000 1.071 618 I HN 0.375 nan 8.210 nan 0.000 0.419 619 K N 1.087 121.317 120.400 -0.284 0.000 2.097 619 K HA -0.211 4.109 4.320 0.001 0.000 0.206 619 K C 2.099 178.679 176.600 -0.035 0.000 1.049 619 K CA 1.412 57.522 56.287 -0.294 0.000 0.933 619 K CB -0.008 32.111 32.500 -0.635 0.000 0.717 619 K HN 0.243 nan 8.250 nan 0.000 0.442 620 E N -0.303 119.880 120.200 -0.028 0.000 2.106 620 E HA -0.153 4.198 4.350 0.001 0.000 0.192 620 E C 1.744 178.386 176.600 0.071 0.000 0.984 620 E CA 0.879 57.296 56.400 0.029 0.000 0.806 620 E CB -0.039 29.676 29.700 0.025 0.000 0.750 620 E HN 0.447 nan 8.360 nan 0.000 0.458 621 A N 0.517 123.396 122.820 0.099 0.000 1.898 621 A HA -0.149 4.171 4.320 0.001 0.000 0.216 621 A C 1.933 179.582 177.584 0.109 0.000 1.181 621 A CA 0.940 53.041 52.037 0.106 0.000 0.620 621 A CB -0.753 18.331 19.000 0.139 0.000 0.819 621 A HN 0.445 nan 8.150 nan 0.000 0.442 622 F N 1.121 121.077 119.950 0.010 0.000 2.113 622 F HA -0.163 4.364 4.527 0.001 0.000 0.297 622 F C 1.569 177.373 175.800 0.006 0.000 1.103 622 F CA 2.073 60.075 58.000 0.004 0.000 1.248 622 F CB -0.047 38.977 39.000 0.040 0.000 0.999 622 F HN 0.222 nan 8.300 nan 0.000 0.475 623 D N -0.390 120.169 120.400 0.266 0.000 2.310 623 D HA -0.121 4.520 4.640 0.001 0.000 0.212 623 D C 2.441 178.763 176.300 0.037 0.000 0.965 623 D CA 1.250 55.351 54.000 0.168 0.000 0.879 623 D CB -0.467 40.422 40.800 0.150 0.000 0.921 623 D HN 0.378 nan 8.370 nan 0.000 0.510 624 S N -0.328 115.379 115.700 0.013 0.000 2.447 624 S HA -0.144 4.326 4.470 0.001 0.000 0.233 624 S C 1.954 176.523 174.600 -0.052 0.000 1.006 624 S CA 1.454 59.645 58.200 -0.015 0.000 0.957 624 S CB -0.745 62.453 63.200 -0.003 0.000 0.773 624 S HN 0.342 nan 8.310 nan 0.000 0.507 625 T N -1.725 112.769 114.554 -0.100 0.000 3.055 625 T HA 0.257 4.607 4.350 0.001 0.000 0.265 625 T C 0.699 175.337 174.700 -0.104 0.000 1.111 625 T CA 0.520 62.544 62.100 -0.127 0.000 1.118 625 T CB -0.207 68.527 68.868 -0.223 0.000 0.909 625 T HN 0.437 nan 8.240 nan 0.000 0.501 626 S N 0.110 115.759 115.700 -0.086 0.000 2.567 626 S HA 0.375 4.846 4.470 0.001 0.000 0.270 626 S C 0.769 175.325 174.600 -0.074 0.000 1.152 626 S CA -0.840 57.322 58.200 -0.062 0.000 0.835 626 S CB 1.486 64.670 63.200 -0.027 0.000 1.115 626 S HN 0.365 nan 8.310 nan 0.000 0.459 627 R N 1.321 121.723 120.500 -0.163 0.000 2.148 627 R HA 0.023 4.364 4.340 0.001 0.000 0.227 627 R C 0.761 176.848 176.300 -0.354 0.000 1.103 627 R CA 1.578 57.486 56.100 -0.319 0.000 0.983 627 R CB -0.624 29.359 30.300 -0.527 0.000 0.874 627 R HN 0.627 nan 8.270 nan 0.000 0.451 628 F N 1.411 121.379 119.950 0.031 0.000 2.721 628 F HA 0.376 4.903 4.527 0.001 0.000 0.301 628 F C 1.096 176.950 175.800 0.090 0.000 1.096 628 F CA -0.370 57.661 58.000 0.051 0.000 1.308 628 F CB 0.453 39.478 39.000 0.042 0.000 1.086 628 F HN 0.009 nan 8.300 nan 0.000 0.587 629 A N 2.032 124.986 122.820 0.224 0.000 2.476 629 A HA 0.370 4.691 4.320 0.001 0.000 0.275 629 A C 0.312 178.080 177.584 0.308 0.000 1.133 629 A CA 0.077 52.282 52.037 0.281 0.000 0.797 629 A CB -0.133 18.928 19.000 0.101 0.000 1.081 629 A HN 0.306 nan 8.150 nan 0.000 0.510 630 R N 2.973 123.670 120.500 0.328 0.000 2.625 630 R HA 0.202 4.542 4.340 0.001 0.000 0.286 630 R C -1.564 174.821 176.300 0.142 0.000 1.406 630 R CA -0.793 55.435 56.100 0.213 0.000 1.052 630 R CB 1.348 31.747 30.300 0.165 0.000 1.203 630 R HN 0.664 nan 8.270 nan 0.000 0.502 631 L N 3.094 124.347 121.223 0.050 0.000 2.410 631 L HA 0.113 4.453 4.340 0.001 0.000 0.273 631 L C 0.302 177.233 176.870 0.103 0.000 1.144 631 L CA 0.715 55.474 54.840 -0.135 0.000 0.863 631 L CB 0.735 42.582 42.059 -0.353 0.000 1.140 631 L HN 0.460 nan 8.230 nan 0.000 0.463 632 Q N 3.013 122.866 119.800 0.088 0.000 2.171 632 Q HA 0.265 4.605 4.340 0.001 0.000 0.217 632 Q C -0.479 175.600 176.000 0.131 0.000 0.995 632 Q CA -0.916 54.957 55.803 0.117 0.000 0.979 632 Q CB 0.607 29.371 28.738 0.043 0.000 1.152 632 Q HN 0.484 nan 8.270 nan 0.000 0.525 633 K N 0.971 121.334 120.400 -0.061 0.000 2.511 633 K HA -0.033 4.288 4.320 0.001 0.000 0.280 633 K C -0.898 175.644 176.600 -0.097 0.000 1.008 633 K CA 0.058 56.192 56.287 -0.255 0.000 1.050 633 K CB 0.111 32.469 32.500 -0.236 0.000 0.889 633 K HN 0.387 nan 8.250 nan 0.000 0.484 634 L N 4.199 125.357 121.223 -0.108 0.000 2.380 634 L HA 0.144 4.485 4.340 0.001 0.000 0.273 634 L C 0.196 177.044 176.870 -0.036 0.000 1.138 634 L CA -0.311 54.490 54.840 -0.065 0.000 0.832 634 L CB 0.557 42.572 42.059 -0.072 0.000 1.124 634 L HN 0.708 nan 8.230 nan 0.000 0.454 635 H N 1.731 120.765 119.070 -0.061 0.000 2.476 635 H HA 0.457 5.013 4.556 0.001 0.000 0.328 635 H C -0.596 174.783 175.328 0.084 0.000 1.073 635 H CA -0.516 55.539 56.048 0.013 0.000 1.229 635 H CB 1.190 30.974 29.762 0.036 0.000 1.432 635 H HN 0.669 nan 8.280 nan 0.000 0.477 636 T N 1.680 116.192 114.554 -0.070 0.000 2.893 636 T HA 0.645 4.995 4.350 0.001 0.000 0.291 636 T C -0.696 174.001 174.700 -0.004 0.000 1.028 636 T CA -1.041 61.072 62.100 0.022 0.000 0.995 636 T CB 1.753 70.591 68.868 -0.050 0.000 1.051 636 T HN 0.454 nan 8.240 nan 0.000 0.470 637 S N 1.335 117.033 115.700 -0.003 0.000 2.575 637 S HA 0.559 5.029 4.470 0.001 0.000 0.278 637 S C -0.673 173.934 174.600 0.011 0.000 1.139 637 S CA -0.752 57.440 58.200 -0.014 0.000 0.954 637 S CB 0.849 64.022 63.200 -0.045 0.000 1.054 637 S HN 0.735 nan 8.310 nan 0.000 0.483 638 I N 2.447 123.029 120.570 0.019 0.000 2.488 638 I HA 0.628 4.798 4.170 0.001 0.000 0.299 638 I C 0.135 176.292 176.117 0.067 0.000 0.984 638 I CA -0.497 60.826 61.300 0.039 0.000 1.250 638 I CB 1.533 39.535 38.000 0.002 0.000 1.389 638 I HN 0.730 nan 8.210 nan 0.000 0.488 639 A N 4.924 127.809 122.820 0.108 0.000 2.815 639 A HA 0.648 4.969 4.320 0.001 0.000 0.318 639 A C 0.307 177.930 177.584 0.066 0.000 1.186 639 A CA 0.135 52.229 52.037 0.096 0.000 0.754 639 A CB 0.300 19.395 19.000 0.158 0.000 1.151 639 A HN 1.079 nan 8.150 nan 0.000 0.452 640 G N 2.776 111.596 108.800 0.033 0.000 2.561 640 G HA2 -0.371 3.589 3.960 0.001 0.000 0.289 640 G HA3 -0.371 3.589 3.960 0.001 0.000 0.289 640 G C 1.138 176.039 174.900 0.002 0.000 1.169 640 G CA 0.780 45.890 45.100 0.017 0.000 0.980 640 G HN 1.579 nan 8.290 nan 0.000 0.550 641 R N 1.471 121.968 120.500 -0.005 0.000 2.313 641 R HA 0.140 4.480 4.340 0.001 0.000 0.199 641 R C 0.194 176.463 176.300 -0.052 0.000 0.958 641 R CA 0.679 56.763 56.100 -0.026 0.000 1.047 641 R CB -0.297 29.990 30.300 -0.021 0.000 0.955 641 R HN 0.393 nan 8.270 nan 0.000 0.481 642 N N 1.412 120.085 118.700 -0.045 0.000 2.529 642 N HA 0.209 4.949 4.740 0.001 0.000 0.278 642 N C -1.275 174.148 175.510 -0.144 0.000 1.146 642 N CA -0.396 52.576 53.050 -0.130 0.000 0.980 642 N CB 1.431 39.859 38.487 -0.097 0.000 1.124 642 N HN 0.098 nan 8.380 nan 0.000 0.458 643 L N 2.662 123.719 121.223 -0.275 0.000 2.406 643 L HA 0.431 4.772 4.340 0.001 0.000 0.272 643 L C -1.816 174.840 176.870 -0.356 0.000 0.980 643 L CA -0.674 54.044 54.840 -0.203 0.000 0.831 643 L CB 0.685 42.660 42.059 -0.139 0.000 1.253 643 L HN 0.434 nan 8.230 nan 0.000 0.406 644 Y N 5.841 126.017 120.300 -0.207 0.000 2.335 644 Y HA 0.598 5.148 4.550 0.000 0.000 0.339 644 Y C -0.059 175.730 175.900 -0.185 0.000 0.987 644 Y CA -0.386 57.537 58.100 -0.295 0.000 1.140 644 Y CB 1.166 39.150 38.460 -0.794 0.000 1.173 644 Y HN 0.401 nan 8.280 nan 0.000 0.486 645 I N 4.275 124.916 120.570 0.118 0.000 2.389 645 I HA 0.397 4.568 4.170 0.001 0.000 0.288 645 I C -0.179 176.058 176.117 0.201 0.000 0.999 645 I CA -0.786 60.559 61.300 0.075 0.000 1.129 645 I CB 1.554 39.517 38.000 -0.061 0.000 1.288 645 I HN 0.447 nan 8.210 nan 0.000 0.444 646 R N 6.182 126.816 120.500 0.223 0.000 2.230 646 R HA 0.429 4.770 4.340 0.001 0.000 0.337 646 R C -1.233 175.091 176.300 0.039 0.000 1.063 646 R CA -0.537 55.704 56.100 0.234 0.000 0.935 646 R CB 0.429 30.847 30.300 0.196 0.000 1.121 646 R HN 0.347 nan 8.270 nan 0.000 0.486 647 F N 2.216 122.251 119.950 0.141 0.000 2.412 647 F HA 0.228 4.756 4.527 0.001 0.000 0.348 647 F C 0.644 176.459 175.800 0.025 0.000 1.102 647 F CA 0.125 58.153 58.000 0.046 0.000 1.196 647 F CB 1.230 40.280 39.000 0.084 0.000 1.144 647 F HN 0.362 nan 8.300 nan 0.000 0.541 648 Q N 2.202 122.062 119.800 0.100 0.000 2.331 648 Q HA 0.612 4.953 4.340 0.001 0.000 0.272 648 Q C -1.360 174.661 176.000 0.035 0.000 1.062 648 Q CA -0.558 55.293 55.803 0.079 0.000 0.806 648 Q CB 2.135 30.901 28.738 0.047 0.000 1.312 648 Q HN 0.720 nan 8.270 nan 0.000 0.431 649 S N 2.462 118.227 115.700 0.108 0.000 2.547 649 S HA 0.547 5.018 4.470 0.001 0.000 0.270 649 S C -1.244 173.440 174.600 0.140 0.000 1.150 649 S CA -0.720 57.563 58.200 0.138 0.000 0.850 649 S CB 1.341 64.708 63.200 0.278 0.000 1.118 649 S HN 0.733 nan 8.310 nan 0.000 0.461 650 R N 0.972 121.545 120.500 0.122 0.000 2.801 650 R HA 0.413 4.754 4.340 0.001 0.000 0.273 650 R C 0.332 176.697 176.300 0.107 0.000 1.080 650 R CA 0.582 56.733 56.100 0.085 0.000 1.197 650 R CB 0.421 30.762 30.300 0.068 0.000 1.109 650 R HN 0.759 nan 8.270 nan 0.000 0.535 651 S N -0.837 114.870 115.700 0.012 0.000 2.924 651 S HA 0.257 4.727 4.470 0.001 0.000 0.244 651 S C 0.679 175.105 174.600 -0.290 0.000 0.842 651 S CA -0.289 57.903 58.200 -0.014 0.000 1.086 651 S CB 0.574 63.787 63.200 0.022 0.000 1.295 651 S HN 1.078 nan 8.310 nan 0.000 0.500 652 G N 3.134 111.580 108.800 -0.589 0.000 2.622 652 G HA2 -0.353 3.607 3.960 0.001 0.000 0.307 652 G HA3 -0.353 3.607 3.960 0.001 0.000 0.307 652 G C 0.247 174.876 174.900 -0.452 0.000 1.226 652 G CA 0.960 45.466 45.100 -0.990 0.000 0.997 652 G HN 0.488 nan 8.290 nan 0.000 0.551 653 D N 1.825 121.994 120.400 -0.385 0.000 2.360 653 D HA 0.395 5.035 4.640 0.001 0.000 0.210 653 D C 1.506 177.719 176.300 -0.144 0.000 1.047 653 D CA 0.793 54.673 54.000 -0.201 0.000 0.854 653 D CB 0.126 40.837 40.800 -0.148 0.000 0.936 653 D HN 0.750 nan 8.370 nan 0.000 0.514 654 A N 1.336 124.068 122.820 -0.145 0.000 2.386 654 A HA 0.110 4.430 4.320 0.001 0.000 0.248 654 A C 1.392 178.936 177.584 -0.068 0.000 1.082 654 A CA -0.281 51.707 52.037 -0.083 0.000 0.789 654 A CB 0.723 19.694 19.000 -0.047 0.000 1.025 654 A HN 0.009 nan 8.150 nan 0.000 0.490 655 M N 1.609 121.177 119.600 -0.053 0.000 2.159 655 M HA -0.046 4.434 4.480 0.001 0.000 0.263 655 M C 1.295 177.591 176.300 -0.006 0.000 1.063 655 M CA 2.510 57.788 55.300 -0.038 0.000 1.110 655 M CB -0.846 31.729 32.600 -0.042 0.000 1.374 655 M HN 1.731 nan 8.290 nan 0.000 0.411 656 G N 0.084 108.886 108.800 0.003 0.000 2.134 656 G HA2 -0.266 3.694 3.960 0.001 0.000 0.209 656 G HA3 -0.266 3.694 3.960 0.001 0.000 0.209 656 G C 0.484 175.413 174.900 0.047 0.000 0.993 656 G CA 0.673 45.790 45.100 0.029 0.000 0.669 656 G HN 0.451 nan 8.290 nan 0.000 0.519 657 M N 0.753 120.375 119.600 0.037 0.000 2.099 657 M HA 0.098 4.579 4.480 0.001 0.000 0.262 657 M C 2.263 178.585 176.300 0.038 0.000 1.067 657 M CA 2.289 57.617 55.300 0.046 0.000 1.124 657 M CB -0.434 32.189 32.600 0.039 0.000 1.353 657 M HN 0.323 nan 8.290 nan 0.000 0.410 658 N N -0.728 117.986 118.700 0.024 0.000 2.270 658 N HA -0.135 4.605 4.740 0.001 0.000 0.181 658 N C 1.782 177.289 175.510 -0.006 0.000 1.016 658 N CA 1.339 54.395 53.050 0.010 0.000 0.870 658 N CB -0.318 38.174 38.487 0.008 0.000 0.979 658 N HN 0.453 nan 8.380 nan 0.000 0.431 659 M N 0.672 120.276 119.600 0.007 0.000 2.200 659 M HA -0.052 4.428 4.480 0.001 0.000 0.265 659 M C 1.594 177.865 176.300 -0.048 0.000 1.066 659 M CA 1.104 56.398 55.300 -0.011 0.000 1.127 659 M CB 0.092 32.718 32.600 0.042 0.000 1.379 659 M HN -0.026 nan 8.290 nan 0.000 0.420 660 I N -0.233 120.360 120.570 0.039 0.000 2.439 660 I HA -0.177 3.994 4.170 0.001 0.000 0.251 660 I C 2.208 178.342 176.117 0.028 0.000 1.139 660 I CA 1.026 62.401 61.300 0.126 0.000 1.438 660 I CB -1.136 36.994 38.000 0.218 0.000 1.085 660 I HN 0.276 nan 8.210 nan 0.000 0.427 661 S N 0.464 116.161 115.700 -0.004 0.000 2.406 661 S HA -0.132 4.338 4.470 0.001 0.000 0.228 661 S C 2.012 176.551 174.600 -0.102 0.000 1.020 661 S CA 0.911 59.094 58.200 -0.028 0.000 0.965 661 S CB -0.025 63.175 63.200 -0.001 0.000 0.798 661 S HN 0.379 nan 8.310 nan 0.000 0.488 662 K N 1.107 121.428 120.400 -0.133 0.000 2.025 662 K HA -0.068 4.252 4.320 0.001 0.000 0.207 662 K C 2.275 178.700 176.600 -0.291 0.000 1.049 662 K CA 1.247 57.434 56.287 -0.168 0.000 0.933 662 K CB -0.574 31.841 32.500 -0.140 0.000 0.714 662 K HN 0.375 nan 8.250 nan 0.000 0.438 663 G N 0.009 108.493 108.800 -0.526 0.000 2.442 663 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 663 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 663 G C 1.406 175.927 174.900 -0.631 0.000 1.141 663 G CA 1.377 45.850 45.100 -1.046 0.000 0.763 663 G HN 0.328 nan 8.290 nan 0.000 0.554 664 T N 0.569 114.905 114.554 -0.364 0.000 2.777 664 T HA -0.030 4.320 4.350 0.001 0.000 0.266 664 T C 2.170 176.690 174.700 -0.300 0.000 1.040 664 T CA 1.294 63.136 62.100 -0.430 0.000 1.141 664 T CB -0.112 68.554 68.868 -0.338 0.000 0.868 664 T HN 0.409 nan 8.240 nan 0.000 0.444 665 E N 0.651 120.742 120.200 -0.181 0.000 2.077 665 E HA -0.154 4.196 4.350 0.001 0.000 0.193 665 E C 2.276 178.832 176.600 -0.073 0.000 0.989 665 E CA 1.031 57.370 56.400 -0.101 0.000 0.800 665 E CB -0.077 29.576 29.700 -0.079 0.000 0.746 665 E HN 0.190 nan 8.360 nan 0.000 0.452 666 K N 0.991 121.333 120.400 -0.097 0.000 2.097 666 K HA -0.072 4.248 4.320 0.001 0.000 0.205 666 K C 1.771 178.384 176.600 0.022 0.000 1.050 666 K CA 1.249 57.508 56.287 -0.046 0.000 0.938 666 K CB -0.235 32.216 32.500 -0.081 0.000 0.718 666 K HN 0.083 nan 8.250 nan 0.000 0.442 667 A N 0.379 123.213 122.820 0.023 0.000 1.898 667 A HA -0.044 4.276 4.320 0.001 0.000 0.216 667 A C 2.106 179.806 177.584 0.194 0.000 1.181 667 A CA 1.349 53.477 52.037 0.153 0.000 0.620 667 A CB -0.561 18.560 19.000 0.202 0.000 0.819 667 A HN 0.301 nan 8.150 nan 0.000 0.442 668 L N -0.666 120.625 121.223 0.114 0.000 2.217 668 L HA -0.090 4.251 4.340 0.001 0.000 0.211 668 L C 2.839 179.808 176.870 0.165 0.000 1.107 668 L CA 1.181 56.122 54.840 0.169 0.000 0.783 668 L CB -0.329 41.797 42.059 0.112 0.000 0.919 668 L HN 0.506 nan 8.230 nan 0.000 0.442 669 S N 0.412 116.177 115.700 0.109 0.000 2.368 669 S HA -0.227 4.244 4.470 0.001 0.000 0.224 669 S C 2.093 176.789 174.600 0.161 0.000 1.029 669 S CA 1.635 59.894 58.200 0.099 0.000 0.988 669 S CB -0.011 63.213 63.200 0.040 0.000 0.838 669 S HN 0.229 nan 8.310 nan 0.000 0.462 670 K N 0.938 121.446 120.400 0.179 0.000 2.097 670 K HA 0.045 4.366 4.320 0.001 0.000 0.206 670 K C 1.938 178.738 176.600 0.333 0.000 1.049 670 K CA 1.254 57.686 56.287 0.241 0.000 0.933 670 K CB -0.851 31.800 32.500 0.251 0.000 0.717 670 K HN 0.401 nan 8.250 nan 0.000 0.442 671 L N 0.571 121.985 121.223 0.318 0.000 2.141 671 L HA -0.104 4.236 4.340 0.001 0.000 0.209 671 L C 2.229 179.263 176.870 0.272 0.000 1.094 671 L CA 1.857 56.885 54.840 0.312 0.000 0.763 671 L CB -0.731 41.510 42.059 0.304 0.000 0.908 671 L HN 0.462 nan 8.230 nan 0.000 0.437 672 H N -0.208 118.955 119.070 0.155 0.000 2.462 672 H HA -0.093 4.464 4.556 0.001 0.000 0.292 672 H C 1.767 177.118 175.328 0.038 0.000 1.049 672 H CA 1.541 57.650 56.048 0.102 0.000 1.334 672 H CB 0.385 30.185 29.762 0.063 0.000 1.404 672 H HN 0.543 nan 8.280 nan 0.000 0.544 673 E N -0.414 119.849 120.200 0.106 0.000 2.110 673 E HA -0.182 4.168 4.350 0.001 0.000 0.193 673 E C 1.583 177.982 176.600 -0.334 0.000 0.988 673 E CA 1.086 57.433 56.400 -0.088 0.000 0.804 673 E CB -0.027 29.605 29.700 -0.115 0.000 0.745 673 E HN 0.563 nan 8.360 nan 0.000 0.458 674 Y N -1.206 118.915 120.300 -0.298 0.000 2.420 674 Y HA 0.043 4.594 4.550 0.001 0.000 0.292 674 Y C 0.457 175.763 175.900 -0.989 0.000 1.119 674 Y CA 0.435 58.136 58.100 -0.665 0.000 1.229 674 Y CB 0.488 38.363 38.460 -0.975 0.000 1.026 674 Y HN -0.104 nan 8.280 nan 0.000 0.554 675 F N 0.758 120.554 119.950 -0.257 0.000 2.686 675 F HA 0.342 4.870 4.527 0.000 0.000 0.365 675 F C -1.981 173.536 175.800 -0.470 0.000 1.196 675 F CA -2.404 55.419 58.000 -0.294 0.000 1.198 675 F CB 1.182 40.032 39.000 -0.251 0.000 1.454 675 F HN -0.175 nan 8.300 nan 0.000 0.539 676 P HA -0.138 nan 4.420 nan 0.000 0.223 676 P C 0.858 177.968 177.300 -0.315 0.000 1.151 676 P CA 1.304 64.015 63.100 -0.648 0.000 0.787 676 P CB 0.412 31.960 31.700 -0.254 0.000 0.788 677 E N -0.780 119.347 120.200 -0.121 0.000 2.482 677 E HA 0.015 4.366 4.350 0.001 0.000 0.196 677 E C 1.079 177.691 176.600 0.021 0.000 1.047 677 E CA -0.019 56.374 56.400 -0.012 0.000 0.869 677 E CB -0.182 29.520 29.700 0.004 0.000 0.836 677 E HN 0.363 nan 8.360 nan 0.000 0.520 678 M N 1.848 121.452 119.600 0.006 0.000 2.219 678 M HA -0.028 4.453 4.480 0.001 0.000 0.353 678 M C -0.065 176.329 176.300 0.156 0.000 1.304 678 M CA 0.393 55.730 55.300 0.060 0.000 1.115 678 M CB 0.539 33.174 32.600 0.058 0.000 1.664 678 M HN -0.176 nan 8.290 nan 0.000 0.459 679 Q N 5.623 125.471 119.800 0.080 0.000 2.325 679 Q HA 0.396 4.737 4.340 0.001 0.000 0.262 679 Q C -1.388 174.636 176.000 0.040 0.000 0.968 679 Q CA -0.578 55.265 55.803 0.066 0.000 0.877 679 Q CB 1.002 29.759 28.738 0.032 0.000 1.253 679 Q HN 0.797 nan 8.270 nan 0.000 0.448 680 I N 5.627 126.224 120.570 0.045 0.000 2.389 680 I HA -0.078 4.092 4.170 0.001 0.000 0.295 680 I C 0.903 177.026 176.117 0.009 0.000 1.117 680 I CA -0.176 61.140 61.300 0.027 0.000 1.317 680 I CB 0.537 38.556 38.000 0.031 0.000 1.431 680 I HN 0.731 nan 8.210 nan 0.000 0.521 681 L N 7.282 128.502 121.223 -0.006 0.000 2.095 681 L HA 0.305 4.646 4.340 0.001 0.000 0.204 681 L C 0.832 177.708 176.870 0.010 0.000 1.080 681 L CA 1.164 56.001 54.840 -0.006 0.000 0.759 681 L CB -0.092 41.952 42.059 -0.026 0.000 0.914 681 L HN 0.679 nan 8.230 nan 0.000 0.439 682 A N -2.418 120.412 122.820 0.017 0.000 2.555 682 A HA 0.421 4.742 4.320 0.001 0.000 0.297 682 A C 0.297 177.915 177.584 0.056 0.000 1.060 682 A CA 0.131 52.191 52.037 0.038 0.000 0.710 682 A CB 0.485 19.516 19.000 0.052 0.000 1.282 682 A HN -0.114 nan 8.150 nan 0.000 0.399 683 V N 1.468 121.415 119.914 0.055 0.000 2.594 683 V HA 0.025 4.145 4.120 0.001 0.000 0.253 683 V C 0.997 177.154 176.094 0.104 0.000 1.069 683 V CA 2.696 65.035 62.300 0.065 0.000 1.082 683 V CB 0.176 32.022 31.823 0.039 0.000 0.680 683 V HN 1.198 nan 8.190 nan 0.000 0.469 684 S N -0.467 115.296 115.700 0.106 0.000 2.640 684 S HA 0.619 5.090 4.470 0.001 0.000 0.320 684 S C 0.450 175.141 174.600 0.153 0.000 1.097 684 S CA -0.029 58.255 58.200 0.140 0.000 1.092 684 S CB 1.195 64.465 63.200 0.117 0.000 0.988 684 S HN 0.495 nan 8.310 nan 0.000 0.470 685 G N 3.169 112.098 108.800 0.215 0.000 3.702 685 G HA2 0.214 4.174 3.960 0.001 0.000 0.288 685 G HA3 0.214 4.174 3.960 0.001 0.000 0.288 685 G C 0.377 175.469 174.900 0.321 0.000 1.193 685 G CA -0.619 44.645 45.100 0.272 0.000 0.952 685 G HN 0.819 nan 8.290 nan 0.000 0.544 686 N N -1.492 117.348 118.700 0.234 0.000 2.800 686 N HA -0.233 4.508 4.740 0.001 0.000 0.250 686 N C 0.293 175.937 175.510 0.222 0.000 1.078 686 N CA 0.781 53.943 53.050 0.185 0.000 0.804 686 N CB -1.565 37.004 38.487 0.136 0.000 1.135 686 N HN 0.533 nan 8.380 nan 0.000 0.565 687 Y N -0.434 119.943 120.300 0.128 0.000 2.485 687 Y HA 0.244 4.794 4.550 0.000 0.000 0.260 687 Y C 1.703 177.655 175.900 0.088 0.000 1.173 687 Y CA -0.087 58.071 58.100 0.096 0.000 1.252 687 Y CB 0.045 38.619 38.460 0.189 0.000 1.123 687 Y HN 0.358 nan 8.280 nan 0.000 0.524 688 C N -0.862 118.502 119.300 0.108 0.000 2.473 688 C HA -0.037 4.424 4.460 0.001 0.000 0.279 688 C C 1.169 176.138 174.990 -0.035 0.000 1.250 688 C CA 0.960 60.014 59.018 0.060 0.000 1.713 688 C CB -1.188 26.613 27.740 0.102 0.000 2.066 688 C HN 0.315 nan 8.230 nan 0.000 0.474 689 T N 0.958 115.492 114.554 -0.034 0.000 2.824 689 T HA 0.389 4.739 4.350 0.001 0.000 0.280 689 T C -1.005 173.716 174.700 0.034 0.000 0.995 689 T CA 0.093 62.202 62.100 0.014 0.000 1.009 689 T CB 1.399 70.266 68.868 -0.003 0.000 0.955 689 T HN 0.297 nan 8.240 nan 0.000 0.452 690 D N 1.936 122.368 120.400 0.054 0.000 2.280 690 D HA 0.309 4.949 4.640 0.001 0.000 0.236 690 D C 0.109 176.439 176.300 0.049 0.000 1.082 690 D CA -0.479 53.554 54.000 0.055 0.000 0.834 690 D CB 0.447 41.285 40.800 0.065 0.000 1.100 690 D HN 0.508 nan 8.370 nan 0.000 0.486 691 K N 0.808 121.235 120.400 0.045 0.000 3.209 691 K HA -0.237 4.084 4.320 0.001 0.000 0.289 691 K C -0.545 176.072 176.600 0.029 0.000 1.191 691 K CA 0.827 57.137 56.287 0.039 0.000 0.851 691 K CB -0.890 31.636 32.500 0.043 0.000 1.242 691 K HN 0.329 nan 8.250 nan 0.000 0.480 692 K N 0.156 120.571 120.400 0.026 0.000 2.385 692 K HA 0.386 4.706 4.320 0.001 0.000 0.248 692 K C -2.687 173.917 176.600 0.007 0.000 0.955 692 K CA -2.139 54.158 56.287 0.016 0.000 0.816 692 K CB 1.288 33.801 32.500 0.021 0.000 1.250 692 K HN -0.232 nan 8.250 nan 0.000 0.434 693 P HA 0.223 nan 4.420 nan 0.000 0.267 693 P C -1.419 175.874 177.300 -0.012 0.000 1.205 693 P CA -0.334 62.755 63.100 -0.018 0.000 0.765 693 P CB 0.917 32.594 31.700 -0.040 0.000 0.828 694 A N 2.459 125.277 122.820 -0.004 0.000 2.491 694 A HA 0.551 4.872 4.320 0.001 0.000 0.293 694 A C 0.881 178.481 177.584 0.027 0.000 1.047 694 A CA -0.111 51.925 52.037 -0.001 0.000 0.735 694 A CB 1.095 20.087 19.000 -0.013 0.000 1.281 694 A HN 0.393 nan 8.150 nan 0.000 0.398 695 A N 2.041 124.879 122.820 0.029 0.000 1.972 695 A HA -0.071 4.249 4.320 0.001 0.000 0.219 695 A C 1.782 179.420 177.584 0.091 0.000 1.169 695 A CA 1.831 53.923 52.037 0.093 0.000 0.635 695 A CB -0.563 18.481 19.000 0.073 0.000 0.810 695 A HN 1.316 nan 8.150 nan 0.000 0.446 696 I N -0.193 120.363 120.570 -0.023 0.000 2.286 696 I HA -0.274 3.896 4.170 0.001 0.000 0.248 696 I C 1.804 177.864 176.117 -0.095 0.000 1.115 696 I CA 1.593 62.815 61.300 -0.131 0.000 1.392 696 I CB -0.169 37.633 38.000 -0.330 0.000 1.065 696 I HN 0.282 nan 8.210 nan 0.000 0.418 697 N N 0.437 119.123 118.700 -0.023 0.000 2.188 697 N HA -0.247 4.493 4.740 0.001 0.000 0.184 697 N C 1.476 177.042 175.510 0.094 0.000 1.018 697 N CA 1.423 54.484 53.050 0.019 0.000 0.858 697 N CB -0.631 37.885 38.487 0.048 0.000 0.989 697 N HN 0.621 nan 8.380 nan 0.000 0.426 698 W N 1.281 122.554 121.300 -0.045 0.000 2.388 698 W HA -0.031 4.629 4.660 0.000 0.000 0.294 698 W C 1.282 177.785 176.519 -0.026 0.000 1.212 698 W CA 0.765 58.098 57.345 -0.019 0.000 1.271 698 W CB 0.001 29.464 29.460 0.004 0.000 1.126 698 W HN 0.001 nan 8.180 nan 0.000 0.535 699 I N 0.073 120.621 120.570 -0.037 0.000 2.628 699 I HA -0.125 4.045 4.170 0.001 0.000 0.255 699 I C 2.099 178.126 176.117 -0.151 0.000 1.119 699 I CA 0.801 62.021 61.300 -0.134 0.000 1.448 699 I CB -0.346 37.645 38.000 -0.015 0.000 1.133 699 I HN -0.276 nan 8.210 nan 0.000 0.438 700 E N 0.961 121.082 120.200 -0.132 0.000 2.415 700 E HA 0.222 4.572 4.350 0.001 0.000 0.197 700 E C 0.882 177.414 176.600 -0.113 0.000 1.007 700 E CA 0.529 56.849 56.400 -0.132 0.000 0.890 700 E CB 0.322 29.909 29.700 -0.188 0.000 0.891 700 E HN 0.378 nan 8.360 nan 0.000 0.496 701 G N 1.675 110.411 108.800 -0.107 0.000 2.758 701 G HA2 -0.245 3.716 3.960 0.001 0.000 0.686 701 G HA3 -0.245 3.716 3.960 0.001 0.000 0.686 701 G C -0.471 174.401 174.900 -0.047 0.000 1.389 701 G CA -0.112 44.941 45.100 -0.077 0.000 0.845 701 G HN 0.193 nan 8.290 nan 0.000 0.572 702 R N 0.508 120.998 120.500 -0.018 0.000 2.560 702 R HA 0.568 4.908 4.340 0.001 0.000 0.267 702 R C 0.930 177.241 176.300 0.018 0.000 1.150 702 R CA 0.774 56.875 56.100 0.001 0.000 0.997 702 R CB 0.935 31.239 30.300 0.007 0.000 1.250 702 R HN 2.820 nan 8.270 nan 0.000 0.433 703 G N 3.578 112.391 108.800 0.021 0.000 2.536 703 G HA2 -0.278 3.682 3.960 0.001 0.000 0.280 703 G HA3 -0.278 3.682 3.960 0.001 0.000 0.280 703 G C -1.137 173.767 174.900 0.008 0.000 1.152 703 G CA -0.002 45.111 45.100 0.020 0.000 0.970 703 G HN 0.473 nan 8.290 nan 0.000 0.549 704 K N 1.356 121.761 120.400 0.008 0.000 2.234 704 K HA 0.586 4.906 4.320 0.001 0.000 0.277 704 K C -0.454 176.142 176.600 -0.006 0.000 1.038 704 K CA -0.283 56.003 56.287 -0.003 0.000 0.888 704 K CB 1.626 34.123 32.500 -0.005 0.000 1.091 704 K HN 0.422 nan 8.250 nan 0.000 0.467 705 S N 1.700 117.387 115.700 -0.021 0.000 2.499 705 S HA 0.475 4.945 4.470 0.001 0.000 0.279 705 S C -0.027 174.554 174.600 -0.032 0.000 1.219 705 S CA -0.763 57.415 58.200 -0.037 0.000 1.062 705 S CB 1.036 64.199 63.200 -0.063 0.000 0.978 705 S HN 0.297 nan 8.310 nan 0.000 0.489 706 V N 2.994 122.890 119.914 -0.029 0.000 3.007 706 V HA 0.682 4.802 4.120 0.001 0.000 0.311 706 V C -0.628 175.452 176.094 -0.022 0.000 1.120 706 V CA -0.764 61.523 62.300 -0.022 0.000 0.980 706 V CB 2.140 33.954 31.823 -0.014 0.000 1.033 706 V HN 0.602 nan 8.190 nan 0.000 0.429 707 V N 2.722 122.626 119.914 -0.016 0.000 2.789 707 V HA 0.769 4.889 4.120 0.001 0.000 0.311 707 V C -0.912 175.179 176.094 -0.005 0.000 1.073 707 V CA -0.202 62.093 62.300 -0.009 0.000 0.921 707 V CB 1.836 33.657 31.823 -0.004 0.000 1.009 707 V HN 1.145 nan 8.190 nan 0.000 0.426 708 C N 5.582 124.876 119.300 -0.010 0.000 2.779 708 C HA 0.972 5.433 4.460 0.001 0.000 0.314 708 C C -0.890 174.074 174.990 -0.043 0.000 1.231 708 C CA 0.008 59.015 59.018 -0.018 0.000 1.652 708 C CB 1.572 29.298 27.740 -0.023 0.000 2.198 708 C HN 1.114 nan 8.230 nan 0.000 0.483 709 E N 2.545 122.712 120.200 -0.055 0.000 2.390 709 E HA 0.757 5.108 4.350 0.001 0.000 0.280 709 E C -1.459 175.072 176.600 -0.115 0.000 0.992 709 E CA -0.696 55.620 56.400 -0.140 0.000 0.790 709 E CB 1.642 31.309 29.700 -0.055 0.000 1.248 709 E HN 1.099 nan 8.360 nan 0.000 0.447 710 A N 1.079 123.777 122.820 -0.205 0.000 2.602 710 A HA 0.680 5.000 4.320 0.001 0.000 0.290 710 A C -1.598 175.929 177.584 -0.095 0.000 1.114 710 A CA -0.686 51.294 52.037 -0.095 0.000 0.683 710 A CB 1.979 20.941 19.000 -0.063 0.000 1.281 710 A HN 0.392 nan 8.150 nan 0.000 0.416 711 V N 1.867 121.785 119.914 0.007 0.000 2.483 711 V HA 0.423 4.544 4.120 0.001 0.000 0.297 711 V C -1.011 175.099 176.094 0.026 0.000 1.027 711 V CA -0.435 61.895 62.300 0.050 0.000 0.855 711 V CB 1.485 33.376 31.823 0.114 0.000 0.995 711 V HN 0.637 nan 8.190 nan 0.000 0.424 712 I N 6.387 126.968 120.570 0.019 0.000 2.312 712 I HA 0.415 4.585 4.170 0.001 0.000 0.290 712 I C -2.339 173.791 176.117 0.020 0.000 1.008 712 I CA -2.889 58.419 61.300 0.012 0.000 1.226 712 I CB 1.217 39.218 38.000 0.002 0.000 1.371 712 I HN 0.332 nan 8.210 nan 0.000 0.468 713 P HA 0.014 nan 4.420 nan 0.000 0.266 713 P C 0.773 178.081 177.300 0.014 0.000 1.193 713 P CA 0.134 63.244 63.100 0.018 0.000 0.770 713 P CB 0.818 32.526 31.700 0.013 0.000 0.836 714 A N 3.575 126.404 122.820 0.015 0.000 1.940 714 A HA -0.255 4.065 4.320 0.001 0.000 0.219 714 A C 2.101 179.690 177.584 0.008 0.000 1.176 714 A CA 1.928 53.973 52.037 0.013 0.000 0.631 714 A CB -1.076 17.932 19.000 0.013 0.000 0.814 714 A HN 0.594 nan 8.150 nan 0.000 0.446 715 K N -0.380 120.024 120.400 0.007 0.000 2.057 715 K HA -0.094 4.227 4.320 0.001 0.000 0.207 715 K C 1.725 178.325 176.600 0.001 0.000 1.049 715 K CA 1.631 57.920 56.287 0.004 0.000 0.931 715 K CB -0.237 32.265 32.500 0.004 0.000 0.714 715 K HN 0.244 nan 8.250 nan 0.000 0.440 716 V N 0.681 120.596 119.914 0.002 0.000 2.515 716 V HA -0.186 3.934 4.120 0.001 0.000 0.250 716 V C 2.212 178.303 176.094 -0.005 0.000 1.058 716 V CA 1.252 63.551 62.300 -0.001 0.000 1.064 716 V CB 0.006 31.830 31.823 0.001 0.000 0.675 716 V HN 0.159 nan 8.190 nan 0.000 0.461 717 V N -0.018 119.895 119.914 -0.002 0.000 2.427 717 V HA -0.211 3.909 4.120 0.001 0.000 0.248 717 V C 2.559 178.647 176.094 -0.011 0.000 1.051 717 V CA 1.928 64.225 62.300 -0.005 0.000 1.048 717 V CB -0.707 31.117 31.823 0.002 0.000 0.666 717 V HN 0.485 nan 8.190 nan 0.000 0.456 718 R N -0.218 120.278 120.500 -0.007 0.000 2.062 718 R HA -0.070 4.270 4.340 0.001 0.000 0.226 718 R C 2.306 178.594 176.300 -0.019 0.000 1.125 718 R CA 1.434 57.528 56.100 -0.010 0.000 0.966 718 R CB -0.187 30.112 30.300 -0.002 0.000 0.861 718 R HN 0.589 nan 8.270 nan 0.000 0.433 719 E N 0.015 120.205 120.200 -0.016 0.000 2.086 719 E HA -0.073 4.278 4.350 0.001 0.000 0.190 719 E C 2.010 178.593 176.600 -0.028 0.000 0.975 719 E CA 1.025 57.414 56.400 -0.019 0.000 0.813 719 E CB 0.252 29.946 29.700 -0.011 0.000 0.768 719 E HN 0.070 nan 8.360 nan 0.000 0.457 720 V N 1.096 120.995 119.914 -0.025 0.000 2.426 720 V HA -0.100 4.020 4.120 0.001 0.000 0.242 720 V C 2.026 178.094 176.094 -0.043 0.000 1.036 720 V CA 1.107 63.391 62.300 -0.028 0.000 1.044 720 V CB -0.132 31.681 31.823 -0.017 0.000 0.688 720 V HN 0.200 nan 8.190 nan 0.000 0.462 721 L N -0.426 120.772 121.223 -0.042 0.000 2.585 721 L HA 0.219 4.559 4.340 0.001 0.000 0.226 721 L C 0.538 177.358 176.870 -0.082 0.000 1.113 721 L CA -0.023 54.786 54.840 -0.052 0.000 0.876 721 L CB -0.023 42.018 42.059 -0.030 0.000 1.072 721 L HN 0.223 nan 8.230 nan 0.000 0.468 722 K N 0.884 121.232 120.400 -0.086 0.000 3.150 722 K HA -0.176 4.144 4.320 0.001 0.000 0.267 722 K C 0.062 176.628 176.600 -0.058 0.000 1.028 722 K CA 0.932 57.151 56.287 -0.114 0.000 0.753 722 K CB -2.270 30.058 32.500 -0.286 0.000 1.288 722 K HN 0.465 nan 8.250 nan 0.000 0.473 723 T N -1.847 112.694 114.554 -0.022 0.000 2.649 723 T HA 0.567 4.918 4.350 0.001 0.000 0.305 723 T C -1.157 173.547 174.700 0.006 0.000 1.409 723 T CA 0.256 62.359 62.100 0.004 0.000 1.021 723 T CB 1.636 70.507 68.868 0.005 0.000 1.726 723 T HN 0.295 nan 8.240 nan 0.000 0.475 724 T N -1.203 113.359 114.554 0.012 0.000 2.926 724 T HA 0.503 4.854 4.350 0.001 0.000 0.289 724 T C 1.076 175.784 174.700 0.014 0.000 1.054 724 T CA -0.182 61.925 62.100 0.012 0.000 1.015 724 T CB 1.061 69.937 68.868 0.014 0.000 1.167 724 T HN 0.462 nan 8.240 nan 0.000 0.526 725 T N 0.237 114.800 114.554 0.016 0.000 2.788 725 T HA -0.068 4.282 4.350 0.001 0.000 0.268 725 T C 1.657 176.370 174.700 0.022 0.000 1.044 725 T CA 1.583 63.696 62.100 0.021 0.000 1.139 725 T CB -0.336 68.547 68.868 0.025 0.000 0.867 725 T HN 0.790 nan 8.240 nan 0.000 0.454 726 E N 0.541 120.753 120.200 0.020 0.000 2.106 726 E HA -0.092 4.259 4.350 0.001 0.000 0.192 726 E C 2.383 178.994 176.600 0.018 0.000 0.984 726 E CA 0.894 57.305 56.400 0.019 0.000 0.806 726 E CB -0.124 29.586 29.700 0.016 0.000 0.750 726 E HN 0.478 nan 8.360 nan 0.000 0.458 727 A N 0.737 123.567 122.820 0.017 0.000 1.930 727 A HA -0.154 4.166 4.320 0.001 0.000 0.217 727 A C 2.117 179.711 177.584 0.017 0.000 1.175 727 A CA 1.127 53.175 52.037 0.017 0.000 0.627 727 A CB -0.278 18.733 19.000 0.019 0.000 0.815 727 A HN 0.224 nan 8.150 nan 0.000 0.443 728 M N -0.575 119.035 119.600 0.017 0.000 2.132 728 M HA -0.031 4.450 4.480 0.001 0.000 0.263 728 M C 2.148 178.461 176.300 0.021 0.000 1.065 728 M CA 1.323 56.633 55.300 0.017 0.000 1.122 728 M CB -1.076 31.533 32.600 0.015 0.000 1.365 728 M HN 0.414 nan 8.290 nan 0.000 0.411 729 I N -0.200 120.385 120.570 0.026 0.000 2.252 729 I HA -0.273 3.897 4.170 0.001 0.000 0.245 729 I C 2.474 178.607 176.117 0.027 0.000 1.102 729 I CA 1.170 62.489 61.300 0.031 0.000 1.385 729 I CB -0.422 37.598 38.000 0.034 0.000 1.064 729 I HN 0.376 nan 8.210 nan 0.000 0.414 730 E N 0.743 120.956 120.200 0.022 0.000 2.085 730 E HA -0.217 4.134 4.350 0.001 0.000 0.194 730 E C 2.281 178.892 176.600 0.018 0.000 0.994 730 E CA 1.675 58.087 56.400 0.019 0.000 0.801 730 E CB 0.144 29.853 29.700 0.016 0.000 0.743 730 E HN 0.279 nan 8.360 nan 0.000 0.453 731 V N 1.043 120.968 119.914 0.017 0.000 2.453 731 V HA -0.195 3.926 4.120 0.001 0.000 0.247 731 V C 2.137 178.243 176.094 0.019 0.000 1.048 731 V CA 1.854 64.163 62.300 0.014 0.000 1.049 731 V CB -0.687 31.141 31.823 0.009 0.000 0.672 731 V HN 0.314 nan 8.190 nan 0.000 0.457 732 N N 0.359 119.074 118.700 0.025 0.000 2.106 732 N HA -0.109 4.631 4.740 0.001 0.000 0.188 732 N C 1.664 177.201 175.510 0.044 0.000 1.029 732 N CA 1.514 54.585 53.050 0.035 0.000 0.848 732 N CB -0.203 38.307 38.487 0.039 0.000 1.007 732 N HN 0.439 nan 8.380 nan 0.000 0.423 733 I N 0.415 121.008 120.570 0.039 0.000 2.142 733 I HA -0.253 3.917 4.170 0.001 0.000 0.240 733 I C 1.470 177.611 176.117 0.041 0.000 1.078 733 I CA 1.052 62.376 61.300 0.040 0.000 1.343 733 I CB -0.258 37.761 38.000 0.031 0.000 1.046 733 I HN 0.277 nan 8.210 nan 0.000 0.405 734 N N 0.133 118.851 118.700 0.031 0.000 2.422 734 N HA -0.088 4.652 4.740 0.001 0.000 0.181 734 N C 1.583 177.107 175.510 0.023 0.000 1.080 734 N CA 0.593 53.658 53.050 0.026 0.000 0.893 734 N CB 0.363 38.861 38.487 0.017 0.000 0.973 734 N HN 0.455 nan 8.380 nan 0.000 0.456 735 K N 0.823 121.238 120.400 0.025 0.000 2.218 735 K HA 0.122 4.442 4.320 0.001 0.000 0.214 735 K C 1.116 177.734 176.600 0.030 0.000 1.033 735 K CA 0.171 56.468 56.287 0.016 0.000 0.949 735 K CB 0.205 32.709 32.500 0.006 0.000 0.993 735 K HN -0.161 nan 8.250 nan 0.000 0.464 736 N N 1.033 119.764 118.700 0.052 0.000 2.331 736 N HA -0.040 4.701 4.740 0.001 0.000 0.180 736 N C 1.730 177.355 175.510 0.191 0.000 1.019 736 N CA 0.890 53.994 53.050 0.090 0.000 0.881 736 N CB 0.103 38.646 38.487 0.094 0.000 0.972 736 N HN 0.233 nan 8.380 nan 0.000 0.435 737 L N -0.860 120.462 121.223 0.165 0.000 2.416 737 L HA 0.123 4.464 4.340 0.001 0.000 0.188 737 L C 2.041 179.023 176.870 0.186 0.000 1.145 737 L CA 0.290 55.258 54.840 0.214 0.000 0.826 737 L CB -0.584 41.532 42.059 0.096 0.000 1.064 737 L HN -0.153 nan 8.230 nan 0.000 0.490 738 V N 0.570 120.543 119.914 0.099 0.000 2.358 738 V HA -0.146 3.974 4.120 0.001 0.000 0.246 738 V C 2.585 178.710 176.094 0.051 0.000 1.047 738 V CA 2.014 64.356 62.300 0.069 0.000 1.035 738 V CB -1.281 30.567 31.823 0.042 0.000 0.658 738 V HN 0.588 nan 8.190 nan 0.000 0.452 739 G N -0.479 108.342 108.800 0.035 0.000 2.421 739 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 739 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 739 G C 1.853 176.736 174.900 -0.028 0.000 1.171 739 G CA 1.184 46.285 45.100 0.002 0.000 0.775 739 G HN 0.501 nan 8.290 nan 0.000 0.543 740 S N 0.958 116.632 115.700 -0.043 0.000 2.382 740 S HA 0.009 4.479 4.470 0.001 0.000 0.228 740 S C 2.749 177.257 174.600 -0.153 0.000 1.027 740 S CA 1.136 59.226 58.200 -0.184 0.000 0.991 740 S CB -0.304 62.659 63.200 -0.394 0.000 0.823 740 S HN 0.591 nan 8.310 nan 0.000 0.469 741 A N 1.609 124.446 122.820 0.029 0.000 1.902 741 A HA -0.057 4.264 4.320 0.001 0.000 0.217 741 A C 2.043 179.633 177.584 0.011 0.000 1.181 741 A CA 1.328 53.412 52.037 0.078 0.000 0.623 741 A CB -0.464 18.620 19.000 0.140 0.000 0.818 741 A HN 0.359 nan 8.150 nan 0.000 0.443 742 M N -0.366 119.234 119.600 -0.000 0.000 2.229 742 M HA 0.015 4.495 4.480 0.001 0.000 0.264 742 M C 2.232 178.513 176.300 -0.032 0.000 1.063 742 M CA 1.184 56.477 55.300 -0.011 0.000 1.114 742 M CB -1.482 31.114 32.600 -0.008 0.000 1.387 742 M HN 0.463 nan 8.290 nan 0.000 0.420 743 A N -0.599 122.187 122.820 -0.056 0.000 2.206 743 A HA 0.392 4.712 4.320 0.001 0.000 0.211 743 A C 1.543 179.076 177.584 -0.085 0.000 1.158 743 A CA 0.855 52.848 52.037 -0.073 0.000 0.761 743 A CB -0.822 18.120 19.000 -0.096 0.000 0.801 743 A HN 0.633 nan 8.150 nan 0.000 0.473 744 G N -0.249 108.502 108.800 -0.082 0.000 2.256 744 G HA2 -0.174 3.787 3.960 0.001 0.000 0.272 744 G HA3 -0.174 3.787 3.960 0.001 0.000 0.272 744 G C 0.190 175.010 174.900 -0.134 0.000 1.076 744 G CA 0.546 45.598 45.100 -0.080 0.000 0.882 744 G HN 1.072 nan 8.290 nan 0.000 0.497 745 S N -0.482 115.084 115.700 -0.223 0.000 2.537 745 S HA 0.704 5.175 4.470 0.001 0.000 0.275 745 S C 0.493 174.864 174.600 -0.382 0.000 1.272 745 S CA -0.804 57.185 58.200 -0.352 0.000 1.050 745 S CB 0.340 63.217 63.200 -0.538 0.000 0.961 745 S HN 0.385 nan 8.310 nan 0.000 0.496 746 I N 4.387 124.747 120.570 -0.352 0.000 2.354 746 I HA 0.396 4.567 4.170 0.001 0.000 0.286 746 I C 1.340 177.078 176.117 -0.632 0.000 1.007 746 I CA 0.135 61.200 61.300 -0.393 0.000 1.167 746 I CB 0.174 38.035 38.000 -0.233 0.000 1.320 746 I HN 1.024 nan 8.210 nan 0.000 0.458 747 G N 4.914 113.071 108.800 -1.072 0.000 2.179 747 G HA2 -0.216 3.745 3.960 0.001 0.000 0.260 747 G HA3 -0.216 3.745 3.960 0.001 0.000 0.260 747 G C 0.811 175.305 174.900 -0.676 0.000 0.977 747 G CA 0.077 44.322 45.100 -1.426 0.000 0.641 747 G HN 0.952 nan 8.290 nan 0.000 0.533 748 G N -0.291 108.127 108.800 -0.638 0.000 4.294 748 G HA2 0.483 4.444 3.960 0.001 0.000 0.301 748 G HA3 0.483 4.444 3.960 0.001 0.000 0.301 748 G C 0.100 174.730 174.900 -0.449 0.000 1.321 748 G CA -0.453 44.389 45.100 -0.429 0.000 1.190 748 G HN 0.399 nan 8.290 nan 0.000 0.600 749 Y N 1.510 121.723 120.300 -0.144 0.000 2.960 749 Y HA 0.231 4.781 4.550 0.001 0.000 0.393 749 Y C 0.767 176.668 175.900 0.002 0.000 1.118 749 Y CA -0.823 57.246 58.100 -0.052 0.000 1.850 749 Y CB -0.343 38.111 38.460 -0.011 0.000 1.827 749 Y HN 0.568 nan 8.280 nan 0.000 0.463 750 N N -1.955 116.782 118.700 0.061 0.000 2.853 750 N HA 0.674 5.415 4.740 0.001 0.000 0.258 750 N C 0.192 175.725 175.510 0.039 0.000 1.444 750 N CA -0.514 52.578 53.050 0.069 0.000 0.837 750 N CB 0.785 39.317 38.487 0.075 0.000 1.489 750 N HN -0.067 nan 8.380 nan 0.000 0.529 751 A N -0.476 122.382 122.820 0.065 0.000 1.862 751 A HA 0.076 4.396 4.320 0.001 0.000 0.211 751 A C 0.750 178.402 177.584 0.114 0.000 1.220 751 A CA 1.557 53.619 52.037 0.042 0.000 0.616 751 A CB -0.966 18.028 19.000 -0.010 0.000 0.878 751 A HN 0.983 nan 8.150 nan 0.000 0.453 752 H N -4.789 114.268 119.070 -0.023 0.000 3.345 752 H HA 0.632 5.188 4.556 0.001 0.000 0.215 752 H C 0.750 176.058 175.328 -0.033 0.000 1.368 752 H CA 0.057 56.087 56.048 -0.031 0.000 1.211 752 H CB -0.182 29.564 29.762 -0.026 0.000 2.467 752 H HN 0.274 nan 8.280 nan 0.000 0.530 753 A N 1.299 124.113 122.820 -0.009 0.000 1.958 753 A HA -0.189 4.131 4.320 0.001 0.000 0.221 753 A C 2.552 180.048 177.584 -0.147 0.000 1.178 753 A CA 2.144 54.126 52.037 -0.091 0.000 0.642 753 A CB -0.860 18.123 19.000 -0.029 0.000 0.816 753 A HN 0.769 nan 8.150 nan 0.000 0.453 754 A N -0.173 122.580 122.820 -0.112 0.000 1.972 754 A HA -0.191 4.130 4.320 0.001 0.000 0.219 754 A C 1.936 179.431 177.584 -0.148 0.000 1.169 754 A CA 1.733 53.693 52.037 -0.129 0.000 0.635 754 A CB -0.592 18.357 19.000 -0.086 0.000 0.810 754 A HN 0.553 nan 8.150 nan 0.000 0.446 755 N N -0.025 118.578 118.700 -0.162 0.000 2.069 755 N HA -0.135 4.605 4.740 0.001 0.000 0.191 755 N C 1.471 176.870 175.510 -0.186 0.000 1.031 755 N CA 1.658 54.609 53.050 -0.164 0.000 0.852 755 N CB -0.394 37.975 38.487 -0.196 0.000 1.018 755 N HN 0.446 nan 8.380 nan 0.000 0.423 756 I N 0.176 120.595 120.570 -0.253 0.000 2.286 756 I HA -0.133 4.038 4.170 0.001 0.000 0.245 756 I C 2.227 178.254 176.117 -0.149 0.000 1.104 756 I CA 0.455 61.644 61.300 -0.185 0.000 1.397 756 I CB -0.484 37.398 38.000 -0.196 0.000 1.072 756 I HN -0.132 nan 8.210 nan 0.000 0.417 757 V N 0.318 120.107 119.914 -0.207 0.000 2.255 757 V HA -0.349 3.772 4.120 0.001 0.000 0.247 757 V C 2.490 178.356 176.094 -0.379 0.000 1.051 757 V CA 2.620 64.714 62.300 -0.343 0.000 1.018 757 V CB -1.177 30.371 31.823 -0.460 0.000 0.641 757 V HN 0.462 nan 8.190 nan 0.000 0.445 758 T N 0.268 114.662 114.554 -0.267 0.000 2.720 758 T HA -0.186 4.164 4.350 0.001 0.000 0.268 758 T C 2.029 176.714 174.700 -0.025 0.000 1.037 758 T CA 1.661 63.676 62.100 -0.141 0.000 1.144 758 T CB -0.478 68.332 68.868 -0.096 0.000 0.864 758 T HN 0.586 nan 8.240 nan 0.000 0.444 759 A N 1.097 123.895 122.820 -0.036 0.000 1.877 759 A HA -0.012 4.308 4.320 0.001 0.000 0.216 759 A C 2.288 179.898 177.584 0.044 0.000 1.186 759 A CA 1.269 53.307 52.037 0.002 0.000 0.620 759 A CB -0.750 18.238 19.000 -0.019 0.000 0.822 759 A HN 0.527 nan 8.150 nan 0.000 0.443 760 I N -2.051 118.556 120.570 0.062 0.000 2.315 760 I HA -0.218 3.952 4.170 0.001 0.000 0.248 760 I C 2.315 178.550 176.117 0.197 0.000 1.117 760 I CA 1.021 62.388 61.300 0.111 0.000 1.404 760 I CB -0.347 37.722 38.000 0.115 0.000 1.071 760 I HN 0.319 nan 8.210 nan 0.000 0.419 761 Y N 0.774 121.061 120.300 -0.022 0.000 2.181 761 Y HA -0.168 4.382 4.550 0.001 0.000 0.288 761 Y C 2.408 178.303 175.900 -0.008 0.000 1.146 761 Y CA 1.099 59.190 58.100 -0.015 0.000 1.164 761 Y CB -0.597 37.855 38.460 -0.013 0.000 0.982 761 Y HN 0.084 nan 8.280 nan 0.000 0.515 762 I N -0.835 119.830 120.570 0.159 0.000 2.252 762 I HA -0.278 3.892 4.170 0.001 0.000 0.245 762 I C 2.506 178.656 176.117 0.055 0.000 1.102 762 I CA 1.146 62.498 61.300 0.087 0.000 1.385 762 I CB -0.550 37.490 38.000 0.067 0.000 1.064 762 I HN 0.113 nan 8.210 nan 0.000 0.414 763 A N -0.625 122.227 122.820 0.052 0.000 1.969 763 A HA -0.190 4.130 4.320 0.001 0.000 0.218 763 A C 2.008 179.601 177.584 0.016 0.000 1.169 763 A CA 1.425 53.481 52.037 0.032 0.000 0.635 763 A CB -0.791 18.228 19.000 0.031 0.000 0.810 763 A HN 0.569 nan 8.150 nan 0.000 0.445 764 C N -0.950 118.354 119.300 0.007 0.000 2.778 764 C HA 0.519 4.980 4.460 0.001 0.000 0.294 764 C C 1.693 176.651 174.990 -0.053 0.000 1.331 764 C CA -0.188 58.814 59.018 -0.026 0.000 1.741 764 C CB -1.061 26.653 27.740 -0.042 0.000 2.106 764 C HN 1.044 nan 8.230 nan 0.000 0.603 765 G N 1.505 110.286 108.800 -0.032 0.000 2.198 765 G HA2 -0.192 3.768 3.960 0.001 0.000 0.260 765 G HA3 -0.192 3.768 3.960 0.001 0.000 0.260 765 G C 0.014 174.871 174.900 -0.072 0.000 1.025 765 G CA 0.107 45.186 45.100 -0.035 0.000 0.769 765 G HN 0.527 nan 8.290 nan 0.000 0.507 766 Q N 0.099 119.825 119.800 -0.124 0.000 2.318 766 Q HA 0.323 4.663 4.340 0.001 0.000 0.222 766 Q C 0.054 176.012 176.000 -0.070 0.000 1.003 766 Q CA -0.569 55.099 55.803 -0.224 0.000 0.936 766 Q CB 0.575 28.915 28.738 -0.664 0.000 1.204 766 Q HN 0.331 nan 8.270 nan 0.000 0.524 767 D N 0.275 120.646 120.400 -0.048 0.000 2.359 767 D HA 0.184 4.824 4.640 0.001 0.000 0.250 767 D C 0.366 176.771 176.300 0.176 0.000 1.264 767 D CA -0.003 54.030 54.000 0.055 0.000 0.911 767 D CB 0.827 41.654 40.800 0.046 0.000 1.056 767 D HN 0.531 nan 8.370 nan 0.000 0.499 768 A N 3.917 126.834 122.820 0.162 0.000 2.015 768 A HA -0.050 4.271 4.320 0.001 0.000 0.219 768 A C 2.090 179.743 177.584 0.115 0.000 1.163 768 A CA 1.473 53.619 52.037 0.181 0.000 0.646 768 A CB -0.218 18.849 19.000 0.111 0.000 0.806 768 A HN 0.618 nan 8.150 nan 0.000 0.448 769 A N -0.597 122.277 122.820 0.091 0.000 2.019 769 A HA -0.188 4.133 4.320 0.001 0.000 0.219 769 A C 1.937 179.562 177.584 0.068 0.000 1.164 769 A CA 1.421 53.496 52.037 0.062 0.000 0.644 769 A CB -0.457 18.575 19.000 0.053 0.000 0.805 769 A HN 0.649 nan 8.150 nan 0.000 0.449 770 Q N -0.621 119.247 119.800 0.114 0.000 2.515 770 Q HA -0.102 4.238 4.340 0.001 0.000 0.212 770 Q C 1.459 177.512 176.000 0.089 0.000 0.970 770 Q CA 0.551 56.429 55.803 0.125 0.000 0.941 770 Q CB -0.249 28.597 28.738 0.180 0.000 0.998 770 Q HN 0.757 nan 8.270 nan 0.000 0.518 771 N N 0.165 118.871 118.700 0.010 0.000 2.289 771 N HA -0.147 4.593 4.740 0.001 0.000 0.184 771 N C 1.378 176.843 175.510 -0.074 0.000 1.016 771 N CA 0.827 53.798 53.050 -0.132 0.000 0.872 771 N CB 0.038 38.431 38.487 -0.156 0.000 0.973 771 N HN 0.006 nan 8.380 nan 0.000 0.433 772 V N -0.273 119.626 119.914 -0.026 0.000 2.252 772 V HA -0.201 3.920 4.120 0.001 0.000 0.249 772 V C 2.274 178.360 176.094 -0.012 0.000 1.056 772 V CA 2.213 64.501 62.300 -0.020 0.000 1.022 772 V CB -1.203 30.619 31.823 -0.003 0.000 0.641 772 V HN 0.574 nan 8.190 nan 0.000 0.445 773 G N -1.736 107.072 108.800 0.013 0.000 2.492 773 G HA2 -0.104 3.856 3.960 0.001 0.000 0.214 773 G HA3 -0.104 3.856 3.960 0.001 0.000 0.214 773 G C 1.731 176.658 174.900 0.045 0.000 1.147 773 G CA 0.762 45.883 45.100 0.036 0.000 0.809 773 G HN 0.489 nan 8.290 nan 0.000 0.533 774 S N 1.030 116.746 115.700 0.026 0.000 2.447 774 S HA -0.039 4.431 4.470 0.001 0.000 0.233 774 S C 2.387 176.968 174.600 -0.031 0.000 1.006 774 S CA 1.014 59.225 58.200 0.019 0.000 0.957 774 S CB -0.018 63.190 63.200 0.014 0.000 0.773 774 S HN 0.291 nan 8.310 nan 0.000 0.507 775 S N 1.777 117.442 115.700 -0.059 0.000 2.562 775 S HA 0.137 4.607 4.470 0.001 0.000 0.221 775 S C 0.362 174.967 174.600 0.009 0.000 0.975 775 S CA -0.213 57.950 58.200 -0.061 0.000 0.918 775 S CB -0.189 62.955 63.200 -0.094 0.000 0.772 775 S HN 0.434 nan 8.310 nan 0.000 0.531 776 N N 1.919 120.659 118.700 0.066 0.000 2.365 776 N HA 0.057 4.797 4.740 0.001 0.000 0.265 776 N C -0.540 175.139 175.510 0.282 0.000 1.288 776 N CA 0.430 53.587 53.050 0.177 0.000 0.869 776 N CB 0.290 38.983 38.487 0.342 0.000 1.071 776 N HN 0.269 nan 8.380 nan 0.000 0.480 777 C N 3.847 123.328 119.300 0.303 0.000 3.113 777 C HA 0.550 5.011 4.460 0.001 0.000 0.376 777 C C -0.861 174.339 174.990 0.350 0.000 1.077 777 C CA -1.010 58.187 59.018 0.299 0.000 1.253 777 C CB 0.417 28.240 27.740 0.138 0.000 1.637 777 C HN 0.760 nan 8.230 nan 0.000 0.535 778 I N 5.083 125.888 120.570 0.393 0.000 2.389 778 I HA 0.532 4.703 4.170 0.001 0.000 0.288 778 I C -0.123 176.102 176.117 0.180 0.000 0.999 778 I CA 0.364 61.863 61.300 0.331 0.000 1.129 778 I CB 1.732 39.959 38.000 0.378 0.000 1.288 778 I HN 0.757 nan 8.210 nan 0.000 0.444 779 T N 8.305 122.946 114.554 0.146 0.000 2.749 779 T HA 0.522 4.872 4.350 0.001 0.000 0.287 779 T C -0.282 174.465 174.700 0.078 0.000 0.970 779 T CA -0.316 61.837 62.100 0.088 0.000 0.980 779 T CB 0.673 69.586 68.868 0.076 0.000 0.924 779 T HN 0.363 nan 8.240 nan 0.000 0.456 780 L N 3.873 125.132 121.223 0.060 0.000 2.346 780 L HA 0.677 5.018 4.340 0.001 0.000 0.274 780 L C -0.284 176.626 176.870 0.066 0.000 1.007 780 L CA -0.815 54.069 54.840 0.073 0.000 0.818 780 L CB 1.861 43.980 42.059 0.100 0.000 1.284 780 L HN 0.436 nan 8.230 nan 0.000 0.424 781 M N 2.579 122.229 119.600 0.084 0.000 2.326 781 M HA 0.445 4.926 4.480 0.001 0.000 0.292 781 M C -1.225 175.150 176.300 0.125 0.000 1.081 781 M CA -0.425 54.929 55.300 0.090 0.000 0.919 781 M CB 2.858 35.487 32.600 0.049 0.000 1.634 781 M HN 0.531 nan 8.290 nan 0.000 0.451 782 E N 1.114 121.426 120.200 0.187 0.000 2.369 782 E HA 0.734 5.085 4.350 0.001 0.000 0.270 782 E C -0.915 175.755 176.600 0.117 0.000 0.909 782 E CA -0.949 55.534 56.400 0.138 0.000 0.775 782 E CB 2.398 32.172 29.700 0.123 0.000 1.270 782 E HN 0.746 nan 8.360 nan 0.000 0.445 783 A N 1.295 124.155 122.820 0.067 0.000 2.386 783 A HA 0.490 4.810 4.320 0.001 0.000 0.248 783 A C -0.077 177.536 177.584 0.047 0.000 1.082 783 A CA 0.134 52.202 52.037 0.052 0.000 0.789 783 A CB 0.853 19.871 19.000 0.030 0.000 1.025 783 A HN 0.341 nan 8.150 nan 0.000 0.490 784 S N -0.623 115.105 115.700 0.047 0.000 2.588 784 S HA 0.735 5.206 4.470 0.001 0.000 0.269 784 S C -0.203 174.414 174.600 0.028 0.000 1.157 784 S CA 0.801 59.024 58.200 0.038 0.000 0.824 784 S CB 1.056 64.307 63.200 0.084 0.000 1.126 784 S HN 2.829 nan 8.310 nan 0.000 0.464 785 G N 2.762 111.572 108.800 0.017 0.000 2.757 785 G HA2 -0.100 3.861 3.960 0.001 0.000 0.638 785 G HA3 -0.100 3.861 3.960 0.001 0.000 0.638 785 G C -2.102 172.802 174.900 0.007 0.000 1.344 785 G CA -0.142 44.967 45.100 0.014 0.000 0.855 785 G HN 0.605 nan 8.290 nan 0.000 0.537 786 P HA -0.027 nan 4.420 nan 0.000 0.220 786 P C 1.516 178.818 177.300 0.004 0.000 1.148 786 P CA 2.538 65.640 63.100 0.003 0.000 0.803 786 P CB -0.130 31.572 31.700 0.003 0.000 0.782 787 T N -5.902 108.656 114.554 0.006 0.000 3.092 787 T HA 0.219 4.569 4.350 0.001 0.000 0.258 787 T C 0.605 175.310 174.700 0.009 0.000 1.031 787 T CA -0.398 61.706 62.100 0.007 0.000 0.925 787 T CB -0.858 68.014 68.868 0.007 0.000 1.036 787 T HN -0.154 nan 8.240 nan 0.000 0.544 788 N N 1.657 120.364 118.700 0.010 0.000 2.725 788 N HA -0.143 4.597 4.740 0.001 0.000 0.249 788 N C 0.367 175.888 175.510 0.019 0.000 1.103 788 N CA 1.101 54.160 53.050 0.014 0.000 0.707 788 N CB -1.230 37.263 38.487 0.010 0.000 1.043 788 N HN 0.767 nan 8.380 nan 0.000 0.553 789 E N -1.104 119.107 120.200 0.019 0.000 2.473 789 E HA 0.058 4.408 4.350 0.001 0.000 0.204 789 E C -0.389 176.226 176.600 0.025 0.000 0.994 789 E CA -0.145 56.267 56.400 0.020 0.000 0.945 789 E CB 0.432 30.141 29.700 0.015 0.000 0.990 789 E HN 0.353 nan 8.360 nan 0.000 0.493 790 D N 1.111 121.530 120.400 0.031 0.000 2.312 790 D HA 0.191 4.832 4.640 0.001 0.000 0.248 790 D C -0.456 175.877 176.300 0.055 0.000 1.086 790 D CA -0.354 53.670 54.000 0.039 0.000 0.948 790 D CB 1.969 42.795 40.800 0.043 0.000 1.162 790 D HN -0.061 nan 8.370 nan 0.000 0.446 791 L N 2.310 123.568 121.223 0.057 0.000 2.295 791 L HA 0.218 4.558 4.340 0.001 0.000 0.281 791 L C -1.256 175.668 176.870 0.091 0.000 1.018 791 L CA -0.790 54.089 54.840 0.066 0.000 0.841 791 L CB 0.692 42.770 42.059 0.032 0.000 1.218 791 L HN 0.240 nan 8.230 nan 0.000 0.424 792 Y N 5.941 126.247 120.300 0.010 0.000 2.393 792 Y HA 0.477 5.028 4.550 0.001 0.000 0.338 792 Y C -0.513 175.395 175.900 0.014 0.000 1.029 792 Y CA -0.044 58.062 58.100 0.011 0.000 1.239 792 Y CB 0.706 39.171 38.460 0.008 0.000 1.170 792 Y HN 0.659 nan 8.280 nan 0.000 0.515 793 I N 6.059 126.298 120.570 -0.551 0.000 2.646 793 I HA 0.614 4.784 4.170 0.001 0.000 0.299 793 I C -1.229 174.503 176.117 -0.641 0.000 1.036 793 I CA -0.422 60.623 61.300 -0.425 0.000 1.074 793 I CB 1.551 39.438 38.000 -0.188 0.000 1.258 793 I HN 0.744 nan 8.210 nan 0.000 0.430 794 S N 5.790 121.284 115.700 -0.344 0.000 2.536 794 S HA 0.631 5.101 4.470 0.001 0.000 0.271 794 S C -1.370 173.194 174.600 -0.061 0.000 1.134 794 S CA -0.683 57.392 58.200 -0.208 0.000 0.897 794 S CB 1.309 64.448 63.200 -0.101 0.000 1.094 794 S HN 0.686 nan 8.310 nan 0.000 0.473 795 C N 2.435 121.715 119.300 -0.033 0.000 2.408 795 C HA 0.844 5.304 4.460 0.001 0.000 0.321 795 C C -0.065 174.936 174.990 0.019 0.000 1.245 795 C CA -0.327 58.698 59.018 0.011 0.000 1.523 795 C CB 1.174 28.919 27.740 0.008 0.000 2.178 795 C HN 0.965 nan 8.230 nan 0.000 0.488 796 T N 4.767 119.348 114.554 0.045 0.000 2.809 796 T HA 0.540 4.890 4.350 0.001 0.000 0.284 796 T C -0.454 174.271 174.700 0.043 0.000 0.992 796 T CA -0.212 61.899 62.100 0.018 0.000 0.957 796 T CB 0.756 69.615 68.868 -0.014 0.000 0.942 796 T HN 0.562 nan 8.240 nan 0.000 0.439 797 M N 5.298 124.909 119.600 0.018 0.000 2.022 797 M HA 0.277 4.757 4.480 0.001 0.000 0.298 797 M C -1.906 174.394 176.300 -0.000 0.000 0.909 797 M CA -2.117 53.214 55.300 0.051 0.000 0.914 797 M CB 2.549 35.178 32.600 0.049 0.000 1.486 797 M HN 0.253 nan 8.290 nan 0.000 0.415 798 P HA -0.006 nan 4.420 nan 0.000 0.236 798 P C 0.213 177.498 177.300 -0.025 0.000 1.177 798 P CA 0.749 63.790 63.100 -0.100 0.000 0.773 798 P CB 0.230 31.771 31.700 -0.265 0.000 0.878 799 S N -1.226 114.496 115.700 0.037 0.000 2.694 799 S HA 0.323 4.793 4.470 0.001 0.000 0.232 799 S C -0.049 174.591 174.600 0.068 0.000 1.017 799 S CA -0.631 57.599 58.200 0.050 0.000 1.139 799 S CB -1.230 62.014 63.200 0.074 0.000 1.247 799 S HN -0.088 nan 8.310 nan 0.000 0.452 800 I N 2.510 123.119 120.570 0.064 0.000 2.471 800 I HA 0.123 4.294 4.170 0.001 0.000 0.294 800 I C 0.118 176.298 176.117 0.105 0.000 1.123 800 I CA 0.169 61.531 61.300 0.102 0.000 1.336 800 I CB 0.156 38.208 38.000 0.086 0.000 1.430 800 I HN 0.387 nan 8.210 nan 0.000 0.533 801 E N 7.181 127.469 120.200 0.147 0.000 2.052 801 E HA 0.543 4.894 4.350 0.001 0.000 0.283 801 E C -0.616 176.013 176.600 0.047 0.000 1.071 801 E CA -0.055 56.404 56.400 0.099 0.000 0.851 801 E CB 1.296 31.061 29.700 0.108 0.000 1.066 801 E HN 0.465 nan 8.360 nan 0.000 0.396 802 I N 1.668 122.216 120.570 -0.036 0.000 3.004 802 I HA 0.697 4.867 4.170 0.001 0.000 0.305 802 I C -0.841 175.203 176.117 -0.123 0.000 1.312 802 I CA -0.439 60.772 61.300 -0.149 0.000 0.992 802 I CB 2.118 40.046 38.000 -0.120 0.000 1.282 802 I HN 0.535 nan 8.210 nan 0.000 0.449 803 G N 1.011 109.718 108.800 -0.156 0.000 2.698 803 G HA2 0.456 4.417 3.960 0.001 0.000 0.293 803 G HA3 0.456 4.417 3.960 0.001 0.000 0.293 803 G C -0.402 174.429 174.900 -0.115 0.000 1.437 803 G CA 0.213 45.243 45.100 -0.116 0.000 0.852 803 G HN 0.617 nan 8.290 nan 0.000 0.499 804 T N -2.657 111.842 114.554 -0.091 0.000 3.040 804 T HA 0.439 4.790 4.350 0.001 0.000 0.266 804 T C 0.208 174.873 174.700 -0.058 0.000 1.005 804 T CA 0.104 62.159 62.100 -0.075 0.000 0.906 804 T CB 0.312 69.141 68.868 -0.064 0.000 1.082 804 T HN 0.572 nan 8.240 nan 0.000 0.531 805 V N 0.857 120.736 119.914 -0.057 0.000 2.823 805 V HA 0.850 4.970 4.120 0.001 0.000 0.312 805 V C 0.757 176.831 176.094 -0.035 0.000 1.072 805 V CA -0.112 62.165 62.300 -0.039 0.000 0.937 805 V CB 0.805 32.610 31.823 -0.030 0.000 1.013 805 V HN 0.843 nan 8.190 nan 0.000 0.430 806 G N 1.972 110.758 108.800 -0.023 0.000 2.746 806 G HA2 0.424 4.384 3.960 0.001 0.000 0.685 806 G HA3 0.424 4.384 3.960 0.001 0.000 0.685 806 G C 0.492 175.380 174.900 -0.020 0.000 1.350 806 G CA -0.190 44.901 45.100 -0.016 0.000 0.837 806 G HN 2.417 nan 8.290 nan 0.000 0.564 807 G N -0.337 108.457 108.800 -0.010 0.000 2.583 807 G HA2 0.167 4.127 3.960 0.001 0.000 0.292 807 G HA3 0.167 4.127 3.960 0.001 0.000 0.292 807 G C 1.942 176.839 174.900 -0.005 0.000 1.203 807 G CA 1.947 47.043 45.100 -0.006 0.000 0.987 807 G HN 2.520 nan 8.290 nan 0.000 0.554 808 G N -0.517 108.278 108.800 -0.008 0.000 2.534 808 G HA2 0.198 4.158 3.960 0.001 0.000 0.217 808 G HA3 0.198 4.158 3.960 0.001 0.000 0.217 808 G C 1.831 176.721 174.900 -0.016 0.000 1.128 808 G CA 2.246 47.344 45.100 -0.003 0.000 0.784 808 G HN 1.946 nan 8.290 nan 0.000 0.542 809 T N -1.801 112.734 114.554 -0.031 0.000 3.163 809 T HA 0.017 4.368 4.350 0.001 0.000 0.260 809 T C 1.813 176.494 174.700 -0.031 0.000 1.156 809 T CA 0.683 62.760 62.100 -0.037 0.000 1.072 809 T CB -0.202 68.636 68.868 -0.050 0.000 0.937 809 T HN 0.112 nan 8.240 nan 0.000 0.528 810 N N 0.905 119.590 118.700 -0.025 0.000 2.446 810 N HA 0.188 4.928 4.740 0.001 0.000 0.179 810 N C 0.394 175.880 175.510 -0.040 0.000 1.054 810 N CA 0.213 53.246 53.050 -0.028 0.000 0.905 810 N CB -0.089 38.386 38.487 -0.020 0.000 0.973 810 N HN 0.506 nan 8.380 nan 0.000 0.448 811 L N 1.041 122.242 121.223 -0.038 0.000 2.371 811 L HA 0.188 4.529 4.340 0.001 0.000 0.272 811 L C 1.791 178.619 176.870 -0.070 0.000 1.124 811 L CA -0.386 54.418 54.840 -0.059 0.000 0.816 811 L CB 1.096 43.142 42.059 -0.020 0.000 1.129 811 L HN -0.088 nan 8.230 nan 0.000 0.448 812 L N 2.464 123.621 121.223 -0.110 0.000 2.056 812 L HA -0.097 4.243 4.340 0.001 0.000 0.207 812 L C -0.395 176.430 176.870 -0.074 0.000 1.078 812 L CA 1.264 56.045 54.840 -0.098 0.000 0.749 812 L CB -1.393 40.589 42.059 -0.129 0.000 0.901 812 L HN 0.595 nan 8.230 nan 0.000 0.433 813 P HA -0.178 nan 4.420 nan 0.000 0.215 813 P C 1.414 178.700 177.300 -0.024 0.000 1.153 813 P CA 1.193 64.267 63.100 -0.044 0.000 0.853 813 P CB 0.074 31.758 31.700 -0.028 0.000 0.788 814 Q N -0.646 119.141 119.800 -0.020 0.000 2.119 814 Q HA -0.120 4.220 4.340 0.001 0.000 0.201 814 Q C 2.304 178.291 176.000 -0.022 0.000 0.972 814 Q CA 1.347 57.141 55.803 -0.015 0.000 0.847 814 Q CB -0.676 28.055 28.738 -0.013 0.000 0.903 814 Q HN 0.383 nan 8.270 nan 0.000 0.433 815 Q N -0.614 119.169 119.800 -0.029 0.000 2.224 815 Q HA -0.071 4.270 4.340 0.001 0.000 0.203 815 Q C 1.962 177.949 176.000 -0.021 0.000 0.970 815 Q CA 0.992 56.778 55.803 -0.028 0.000 0.865 815 Q CB -0.119 28.599 28.738 -0.034 0.000 0.922 815 Q HN 0.425 nan 8.270 nan 0.000 0.445 816 A N 0.165 122.972 122.820 -0.022 0.000 1.902 816 A HA -0.198 4.123 4.320 0.001 0.000 0.217 816 A C 2.251 179.833 177.584 -0.004 0.000 1.181 816 A CA 1.288 53.317 52.037 -0.015 0.000 0.623 816 A CB -0.839 18.150 19.000 -0.018 0.000 0.818 816 A HN 0.479 nan 8.150 nan 0.000 0.443 817 C N -0.926 118.372 119.300 -0.003 0.000 2.457 817 C HA 0.041 4.502 4.460 0.001 0.000 0.278 817 C C 2.611 177.605 174.990 0.006 0.000 1.309 817 C CA 0.807 59.828 59.018 0.005 0.000 1.735 817 C CB -1.453 26.290 27.740 0.005 0.000 1.992 817 C HN 0.621 nan 8.230 nan 0.000 0.493 818 L N 0.250 121.470 121.223 -0.005 0.000 2.131 818 L HA -0.214 4.126 4.340 0.001 0.000 0.210 818 L C 2.701 179.577 176.870 0.010 0.000 1.092 818 L CA 1.482 56.318 54.840 -0.007 0.000 0.759 818 L CB -0.633 41.413 42.059 -0.022 0.000 0.903 818 L HN 0.453 nan 8.230 nan 0.000 0.435 819 Q N -0.822 118.983 119.800 0.008 0.000 2.230 819 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 819 Q C 2.324 178.342 176.000 0.030 0.000 0.963 819 Q CA 1.060 56.872 55.803 0.015 0.000 0.866 819 Q CB -0.008 28.732 28.738 0.003 0.000 0.931 819 Q HN 0.528 nan 8.270 nan 0.000 0.452 820 M N -0.003 119.617 119.600 0.033 0.000 2.149 820 M HA -0.184 4.297 4.480 0.001 0.000 0.261 820 M C 1.581 177.936 176.300 0.093 0.000 1.064 820 M CA 1.433 56.762 55.300 0.049 0.000 1.102 820 M CB -0.042 32.585 32.600 0.045 0.000 1.369 820 M HN 0.206 nan 8.290 nan 0.000 0.408 821 L N -0.951 120.338 121.223 0.110 0.000 2.591 821 L HA 0.210 4.551 4.340 0.001 0.000 0.228 821 L C 1.176 178.179 176.870 0.221 0.000 1.133 821 L CA 0.090 55.056 54.840 0.209 0.000 0.880 821 L CB -0.390 41.725 42.059 0.093 0.000 1.033 821 L HN 0.581 nan 8.230 nan 0.000 0.450 822 G N 0.988 109.859 108.800 0.119 0.000 2.198 822 G HA2 -0.251 3.709 3.960 0.001 0.000 0.257 822 G HA3 -0.251 3.709 3.960 0.001 0.000 0.257 822 G C 0.546 175.490 174.900 0.073 0.000 1.042 822 G CA 0.400 45.555 45.100 0.092 0.000 0.791 822 G HN 0.365 nan 8.290 nan 0.000 0.502 823 V N -3.612 116.328 119.914 0.044 0.000 3.330 823 V HA 0.464 4.584 4.120 0.001 0.000 0.309 823 V C 0.726 176.816 176.094 -0.007 0.000 1.481 823 V CA 0.453 62.761 62.300 0.014 0.000 1.068 823 V CB 0.831 32.649 31.823 -0.009 0.000 0.935 823 V HN 0.420 nan 8.190 nan 0.000 0.453 824 Q N 2.191 121.990 119.800 -0.003 0.000 2.311 824 Q HA 0.456 4.797 4.340 0.001 0.000 0.272 824 Q C 0.698 176.689 176.000 -0.014 0.000 1.012 824 Q CA 1.904 57.699 55.803 -0.013 0.000 0.891 824 Q CB 0.766 29.497 28.738 -0.010 0.000 1.201 824 Q HN 1.161 nan 8.270 nan 0.000 0.391 825 G N 2.672 111.459 108.800 -0.022 0.000 2.681 825 G HA2 -0.147 3.814 3.960 0.001 0.000 0.220 825 G HA3 -0.147 3.814 3.960 0.001 0.000 0.220 825 G C -0.809 174.079 174.900 -0.021 0.000 1.353 825 G CA -0.350 44.739 45.100 -0.019 0.000 0.872 825 G HN 1.006 nan 8.290 nan 0.000 0.557 826 A N -1.152 121.661 122.820 -0.011 0.000 2.363 826 A HA 0.549 4.869 4.320 0.001 0.000 0.270 826 A C 0.752 178.337 177.584 0.002 0.000 1.121 826 A CA 0.674 52.705 52.037 -0.011 0.000 0.800 826 A CB 0.792 19.804 19.000 0.019 0.000 1.052 826 A HN 2.248 nan 8.150 nan 0.000 0.493 827 C N 4.864 124.161 119.300 -0.005 0.000 2.322 827 C HA 0.298 4.758 4.460 0.001 0.000 0.343 827 C C 1.832 176.842 174.990 0.034 0.000 1.190 827 C CA -0.466 58.558 59.018 0.010 0.000 1.704 827 C CB -1.255 26.486 27.740 0.002 0.000 2.293 827 C HN 1.010 nan 8.230 nan 0.000 0.523 828 K N 3.173 123.598 120.400 0.041 0.000 2.057 828 K HA -0.122 4.199 4.320 0.001 0.000 0.207 828 K C 0.934 177.569 176.600 0.058 0.000 1.049 828 K CA 1.800 58.122 56.287 0.057 0.000 0.931 828 K CB -0.128 32.398 32.500 0.043 0.000 0.714 828 K HN 0.631 nan 8.250 nan 0.000 0.440 829 D N 0.767 121.192 120.400 0.042 0.000 2.183 829 D HA -0.086 4.554 4.640 0.001 0.000 0.203 829 D C 0.206 176.532 176.300 0.043 0.000 0.969 829 D CA 0.991 55.014 54.000 0.038 0.000 0.842 829 D CB -0.100 40.717 40.800 0.028 0.000 0.957 829 D HN 0.207 nan 8.370 nan 0.000 0.484 830 N N 0.285 119.010 118.700 0.041 0.000 2.727 830 N HA 0.189 4.929 4.740 0.001 0.000 0.252 830 N C -2.914 172.614 175.510 0.030 0.000 1.283 830 N CA -1.734 51.339 53.050 0.039 0.000 0.782 830 N CB 1.210 39.713 38.487 0.026 0.000 1.199 830 N HN -0.285 nan 8.380 nan 0.000 0.520 831 P HA 0.160 nan 4.420 nan 0.000 0.260 831 P C 0.810 178.059 177.300 -0.085 0.000 1.185 831 P CA 0.962 64.063 63.100 0.002 0.000 0.763 831 P CB 0.471 32.272 31.700 0.169 0.000 0.776 832 G N 3.121 111.836 108.800 -0.142 0.000 2.195 832 G HA2 -0.257 3.703 3.960 0.001 0.000 0.224 832 G HA3 -0.257 3.703 3.960 0.001 0.000 0.224 832 G C 1.088 175.945 174.900 -0.071 0.000 0.990 832 G CA 0.366 45.388 45.100 -0.131 0.000 0.639 832 G HN 0.519 nan 8.290 nan 0.000 0.514 833 E N 1.257 121.431 120.200 -0.043 0.000 2.152 833 E HA 0.003 4.353 4.350 0.001 0.000 0.192 833 E C 2.174 178.761 176.600 -0.022 0.000 0.983 833 E CA 1.799 58.187 56.400 -0.020 0.000 0.818 833 E CB -0.286 29.413 29.700 -0.001 0.000 0.758 833 E HN 0.468 nan 8.360 nan 0.000 0.467 834 N N 0.190 118.871 118.700 -0.031 0.000 2.171 834 N HA -0.047 4.693 4.740 0.001 0.000 0.184 834 N C 1.514 176.994 175.510 -0.050 0.000 1.021 834 N CA 1.534 54.566 53.050 -0.030 0.000 0.854 834 N CB -0.543 37.926 38.487 -0.030 0.000 0.994 834 N HN 0.291 nan 8.380 nan 0.000 0.426 835 A N 1.221 124.002 122.820 -0.066 0.000 1.930 835 A HA -0.041 4.280 4.320 0.001 0.000 0.217 835 A C 2.216 179.763 177.584 -0.062 0.000 1.175 835 A CA 0.913 52.905 52.037 -0.074 0.000 0.627 835 A CB -0.281 18.667 19.000 -0.087 0.000 0.815 835 A HN 0.171 nan 8.150 nan 0.000 0.443 836 R N -1.079 119.390 120.500 -0.052 0.000 2.092 836 R HA -0.152 4.189 4.340 0.001 0.000 0.231 836 R C 2.444 178.717 176.300 -0.045 0.000 1.119 836 R CA 1.602 57.677 56.100 -0.041 0.000 0.970 836 R CB -0.192 30.091 30.300 -0.029 0.000 0.864 836 R HN 0.639 nan 8.270 nan 0.000 0.440 837 Q N 0.954 120.726 119.800 -0.046 0.000 2.123 837 Q HA -0.119 4.221 4.340 0.001 0.000 0.199 837 Q C 1.855 177.776 176.000 -0.132 0.000 0.966 837 Q CA 1.194 56.959 55.803 -0.064 0.000 0.845 837 Q CB -0.218 28.509 28.738 -0.019 0.000 0.907 837 Q HN 0.189 nan 8.270 nan 0.000 0.439 838 L N 0.161 121.318 121.223 -0.109 0.000 2.083 838 L HA 0.038 4.379 4.340 0.001 0.000 0.209 838 L C 2.060 178.871 176.870 -0.098 0.000 1.083 838 L CA 2.108 56.875 54.840 -0.123 0.000 0.752 838 L CB -1.134 40.867 42.059 -0.096 0.000 0.899 838 L HN 0.266 nan 8.230 nan 0.000 0.433 839 A N -0.599 122.181 122.820 -0.068 0.000 1.933 839 A HA -0.195 4.126 4.320 0.001 0.000 0.218 839 A C 2.417 179.970 177.584 -0.051 0.000 1.175 839 A CA 1.555 53.571 52.037 -0.034 0.000 0.628 839 A CB -0.495 18.491 19.000 -0.022 0.000 0.814 839 A HN 0.470 nan 8.150 nan 0.000 0.444 840 R N -0.770 119.682 120.500 -0.080 0.000 2.092 840 R HA -0.018 4.322 4.340 0.001 0.000 0.231 840 R C 1.917 178.133 176.300 -0.139 0.000 1.119 840 R CA 1.468 57.515 56.100 -0.089 0.000 0.970 840 R CB -0.440 29.812 30.300 -0.080 0.000 0.864 840 R HN 0.582 nan 8.270 nan 0.000 0.440 841 I N 0.115 120.546 120.570 -0.231 0.000 2.353 841 I HA -0.217 3.953 4.170 0.001 0.000 0.248 841 I C 2.247 178.275 176.117 -0.148 0.000 1.119 841 I CA 0.837 61.955 61.300 -0.303 0.000 1.417 841 I CB -0.108 37.610 38.000 -0.470 0.000 1.078 841 I HN -0.072 nan 8.210 nan 0.000 0.421 842 V N -0.064 119.799 119.914 -0.085 0.000 2.295 842 V HA -0.354 3.766 4.120 0.001 0.000 0.246 842 V C 2.559 178.633 176.094 -0.034 0.000 1.049 842 V CA 2.028 64.312 62.300 -0.026 0.000 1.024 842 V CB -0.499 31.353 31.823 0.048 0.000 0.648 842 V HN 0.640 nan 8.190 nan 0.000 0.447 843 C N 0.792 120.072 119.300 -0.033 0.000 2.425 843 C HA -0.048 4.412 4.460 0.001 0.000 0.277 843 C C 2.933 177.904 174.990 -0.031 0.000 1.280 843 C CA 0.896 59.898 59.018 -0.025 0.000 1.744 843 C CB -1.538 26.191 27.740 -0.019 0.000 1.989 843 C HN 0.657 nan 8.230 nan 0.000 0.491 844 G N -0.577 108.198 108.800 -0.042 0.000 2.408 844 G HA2 -0.143 3.818 3.960 0.001 0.000 0.217 844 G HA3 -0.143 3.818 3.960 0.001 0.000 0.217 844 G C 1.773 176.657 174.900 -0.025 0.000 1.150 844 G CA 1.569 46.650 45.100 -0.032 0.000 0.776 844 G HN 0.542 nan 8.290 nan 0.000 0.542 845 T N 0.759 115.291 114.554 -0.036 0.000 2.904 845 T HA -0.039 4.311 4.350 0.001 0.000 0.267 845 T C 2.525 177.202 174.700 -0.038 0.000 1.059 845 T CA 0.885 62.967 62.100 -0.030 0.000 1.137 845 T CB -0.098 68.748 68.868 -0.036 0.000 0.879 845 T HN 0.053 nan 8.240 nan 0.000 0.467 846 V N 1.771 121.657 119.914 -0.047 0.000 2.343 846 V HA -0.187 3.934 4.120 0.001 0.000 0.247 846 V C 2.435 178.518 176.094 -0.019 0.000 1.051 846 V CA 1.751 64.019 62.300 -0.053 0.000 1.036 846 V CB -0.555 31.241 31.823 -0.045 0.000 0.654 846 V HN 0.486 nan 8.190 nan 0.000 0.451 847 M N -0.322 119.270 119.600 -0.014 0.000 2.229 847 M HA -0.128 4.352 4.480 0.001 0.000 0.264 847 M C 2.087 178.387 176.300 0.001 0.000 1.063 847 M CA 1.944 57.239 55.300 -0.009 0.000 1.114 847 M CB -0.216 32.367 32.600 -0.028 0.000 1.387 847 M HN 0.358 nan 8.290 nan 0.000 0.420 848 A N -0.002 122.820 122.820 0.002 0.000 1.873 848 A HA -0.016 4.305 4.320 0.001 0.000 0.215 848 A C 2.256 179.864 177.584 0.041 0.000 1.186 848 A CA 1.693 53.738 52.037 0.014 0.000 0.616 848 A CB -1.592 17.415 19.000 0.012 0.000 0.823 848 A HN 0.598 nan 8.150 nan 0.000 0.442 849 G N -0.510 108.317 108.800 0.046 0.000 2.422 849 G HA2 -0.183 3.777 3.960 0.001 0.000 0.218 849 G HA3 -0.183 3.777 3.960 0.001 0.000 0.218 849 G C 1.410 176.483 174.900 0.290 0.000 1.146 849 G CA 0.981 46.165 45.100 0.139 0.000 0.769 849 G HN 0.482 nan 8.290 nan 0.000 0.547 850 E N 0.375 120.675 120.200 0.167 0.000 2.051 850 E HA -0.033 4.317 4.350 0.001 0.000 0.192 850 E C 2.660 179.296 176.600 0.061 0.000 0.991 850 E CA 0.306 56.785 56.400 0.133 0.000 0.799 850 E CB -0.466 29.282 29.700 0.080 0.000 0.748 850 E HN 0.393 nan 8.360 nan 0.000 0.449 851 L N 0.756 122.003 121.223 0.039 0.000 2.013 851 L HA -0.250 4.090 4.340 0.001 0.000 0.212 851 L C 2.733 179.610 176.870 0.011 0.000 1.073 851 L CA 1.541 56.389 54.840 0.014 0.000 0.753 851 L CB -0.354 41.708 42.059 0.005 0.000 0.890 851 L HN 0.139 nan 8.230 nan 0.000 0.432 852 S N -0.562 115.154 115.700 0.027 0.000 2.357 852 S HA -0.158 4.313 4.470 0.001 0.000 0.221 852 S C 1.827 176.419 174.600 -0.014 0.000 1.031 852 S CA 1.113 59.321 58.200 0.013 0.000 0.982 852 S CB -0.165 63.056 63.200 0.034 0.000 0.853 852 S HN 0.292 nan 8.310 nan 0.000 0.458 853 L N 1.651 122.851 121.223 -0.038 0.000 2.056 853 L HA 0.111 4.452 4.340 0.001 0.000 0.207 853 L C 2.223 179.031 176.870 -0.103 0.000 1.078 853 L CA 1.810 56.561 54.840 -0.149 0.000 0.749 853 L CB -0.671 41.102 42.059 -0.476 0.000 0.901 853 L HN 0.293 nan 8.230 nan 0.000 0.433 854 M N -0.702 118.859 119.600 -0.065 0.000 2.213 854 M HA -0.097 4.384 4.480 0.001 0.000 0.263 854 M C 2.344 178.633 176.300 -0.018 0.000 1.062 854 M CA 1.538 56.816 55.300 -0.036 0.000 1.105 854 M CB -1.547 31.045 32.600 -0.013 0.000 1.385 854 M HN 0.451 nan 8.290 nan 0.000 0.417 855 A N 0.197 123.007 122.820 -0.017 0.000 1.898 855 A HA 0.062 4.382 4.320 0.001 0.000 0.216 855 A C 2.440 180.023 177.584 -0.001 0.000 1.181 855 A CA 1.839 53.869 52.037 -0.011 0.000 0.620 855 A CB -0.815 18.173 19.000 -0.021 0.000 0.819 855 A HN 0.452 nan 8.150 nan 0.000 0.442 856 A N -0.210 122.605 122.820 -0.007 0.000 1.902 856 A HA -0.043 4.277 4.320 0.001 0.000 0.217 856 A C 2.136 179.743 177.584 0.038 0.000 1.181 856 A CA 1.523 53.575 52.037 0.024 0.000 0.623 856 A CB -0.591 18.412 19.000 0.005 0.000 0.818 856 A HN 0.468 nan 8.150 nan 0.000 0.443 857 L N -1.006 120.217 121.223 0.001 0.000 2.156 857 L HA -0.112 4.228 4.340 0.001 0.000 0.208 857 L C 2.963 179.840 176.870 0.012 0.000 1.095 857 L CA 0.850 55.688 54.840 -0.003 0.000 0.770 857 L CB -0.395 41.648 42.059 -0.026 0.000 0.914 857 L HN 0.423 nan 8.230 nan 0.000 0.439 858 A N -0.258 122.574 122.820 0.019 0.000 1.968 858 A HA 0.051 4.371 4.320 0.001 0.000 0.217 858 A C 2.299 179.909 177.584 0.043 0.000 1.169 858 A CA 1.458 53.509 52.037 0.024 0.000 0.638 858 A CB -0.344 18.667 19.000 0.019 0.000 0.812 858 A HN 0.363 nan 8.150 nan 0.000 0.446 859 A N -1.990 120.880 122.820 0.084 0.000 2.252 859 A HA 0.456 4.776 4.320 0.001 0.000 0.213 859 A C 1.557 179.207 177.584 0.110 0.000 1.188 859 A CA 1.017 53.143 52.037 0.149 0.000 0.863 859 A CB -0.537 18.629 19.000 0.277 0.000 0.893 859 A HN 1.835 nan 8.150 nan 0.000 0.495 860 G N -0.311 108.524 108.800 0.058 0.000 2.256 860 G HA2 -0.242 3.718 3.960 0.001 0.000 0.272 860 G HA3 -0.242 3.718 3.960 0.001 0.000 0.272 860 G C -0.232 174.594 174.900 -0.123 0.000 1.076 860 G CA 0.433 45.513 45.100 -0.032 0.000 0.882 860 G HN 0.693 nan 8.290 nan 0.000 0.497 861 H N -0.436 118.626 119.070 -0.014 0.000 2.369 861 H HA 0.423 4.979 4.556 0.001 0.000 0.228 861 H C 0.765 176.084 175.328 -0.015 0.000 1.548 861 H CA -0.651 55.390 56.048 -0.012 0.000 1.275 861 H CB 0.524 30.280 29.762 -0.011 0.000 1.549 861 H HN 0.165 nan 8.280 nan 0.000 0.542 862 L N 1.834 123.076 121.223 0.033 0.000 2.851 862 L HA 0.159 4.499 4.340 0.001 0.000 0.237 862 L C 0.281 177.158 176.870 0.012 0.000 1.257 862 L CA -0.030 54.820 54.840 0.017 0.000 1.061 862 L CB -0.757 41.298 42.059 -0.006 0.000 1.372 862 L HN 0.235 nan 8.230 nan 0.000 0.493 863 V N 0.000 119.930 119.914 0.026 0.000 2.409 863 V HA 0.000 4.120 4.120 0.001 0.000 0.244 863 V CA 0.000 62.311 62.300 0.019 0.000 1.235 863 V CB 0.000 31.837 31.823 0.024 0.000 1.184 863 V HN 0.000 nan 8.190 nan 0.000 0.556