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 3n3u_1_A DATA FIRST_RESID 3488 DATA SEQUENCE VNYQDLEDNL NLKGLISLED DRNANFESNV LKNEKFLDEA REISKKSIPE DATA SEQUENCE ATVKQMSHLP EFDDILTEGA KKVESRINKA ITFRPSVEEF SEIQDLVKTL DATA SEQUENCE PKTKVIEDLS TKTNEITEAL AATSKTIQRT PELKEQLKTA IEDFLQNSQG DATA SEQUENCE KPLTVQMIEN LNHGLRPDEG EGRLLYKKEN XXXXXAVFSS PEAAKIQLAE DATA SEQUENCE TVDFINRAKN EGIEPSVVGA LVYQRLIAYH PFAEGNGRMA RVIVNKILLD DATA SEQUENCE AGYPAFTKFS DEFEPQIIPQ TKASTKSATS SEVVVEFLKE LAKKGS 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 3488 V HA 0.000 nan 4.120 nan 0.000 0.244 3488 V C 0.000 175.731 176.094 -0.605 0.000 1.182 3488 V CA 0.000 62.065 62.300 -0.392 0.000 1.235 3488 V CB 0.000 31.552 31.823 -0.451 0.000 1.184 3489 N N 2.126 120.516 118.700 -0.516 0.000 2.426 3489 N HA 0.557 5.299 4.740 0.003 0.000 0.275 3489 N C -0.231 174.962 175.510 -0.527 0.000 1.019 3489 N CA -0.481 52.319 53.050 -0.416 0.000 0.941 3489 N CB 1.116 39.475 38.487 -0.213 0.000 1.123 3489 N HN 0.711 nan 8.380 nan 0.000 0.486 3490 Y N 1.065 121.278 120.300 -0.145 0.000 2.442 3490 Y HA 0.178 4.730 4.550 0.003 0.000 0.250 3490 Y C 1.849 177.611 175.900 -0.230 0.000 1.113 3490 Y CA -0.222 57.709 58.100 -0.281 0.000 1.273 3490 Y CB 0.366 38.675 38.460 -0.253 0.000 1.138 3490 Y HN 0.525 nan 8.280 nan 0.000 0.522 3491 Q N 0.677 120.477 119.800 0.001 0.000 2.156 3491 Q HA -0.244 4.098 4.340 0.003 0.000 0.211 3491 Q C 0.622 176.610 176.000 -0.021 0.000 0.995 3491 Q CA 2.080 57.886 55.803 0.006 0.000 0.877 3491 Q CB -0.187 28.552 28.738 0.001 0.000 0.920 3491 Q HN 0.491 nan 8.270 nan 0.000 0.416 3492 D N -0.368 119.999 120.400 -0.056 0.000 2.340 3492 D HA 0.096 4.738 4.640 0.003 0.000 0.220 3492 D C -0.023 176.242 176.300 -0.058 0.000 1.039 3492 D CA 0.256 54.228 54.000 -0.047 0.000 0.866 3492 D CB 0.127 40.898 40.800 -0.048 0.000 0.913 3492 D HN 0.158 nan 8.370 nan 0.000 0.523 3493 L N 1.074 122.225 121.223 -0.120 0.000 2.397 3493 L HA 0.202 4.544 4.340 0.003 0.000 0.271 3493 L C 0.920 177.787 176.870 -0.004 0.000 1.148 3493 L CA -0.359 54.399 54.840 -0.135 0.000 0.825 3493 L CB 0.701 42.480 42.059 -0.467 0.000 1.117 3493 L HN -0.047 nan 8.230 nan 0.000 0.456 3494 E N 1.997 122.241 120.200 0.074 0.000 2.373 3494 E HA 0.088 4.440 4.350 0.003 0.000 0.267 3494 E C -1.262 175.483 176.600 0.241 0.000 1.032 3494 E CA -0.199 56.276 56.400 0.124 0.000 0.889 3494 E CB 1.011 30.770 29.700 0.098 0.000 0.984 3494 E HN 0.587 nan 8.360 nan 0.000 0.425 3495 D N 2.943 123.469 120.400 0.210 0.000 2.966 3495 D HA 0.152 4.794 4.640 0.003 0.000 0.222 3495 D C -0.793 175.584 176.300 0.128 0.000 1.292 3495 D CA -0.417 53.727 54.000 0.240 0.000 0.907 3495 D CB 0.881 41.903 40.800 0.371 0.000 1.621 3495 D HN 0.462 nan 8.370 nan 0.000 0.557 3496 N N 2.984 121.734 118.700 0.084 0.000 2.159 3496 N HA 0.117 4.859 4.740 0.003 0.000 0.217 3496 N C 0.657 176.186 175.510 0.031 0.000 1.223 3496 N CA -0.026 53.056 53.050 0.054 0.000 0.896 3496 N CB 0.661 39.176 38.487 0.047 0.000 1.064 3496 N HN 0.411 nan 8.380 nan 0.000 0.518 3497 L N 0.281 121.511 121.223 0.011 0.000 2.591 3497 L HA 0.138 4.480 4.340 0.003 0.000 0.228 3497 L C 0.505 177.367 176.870 -0.013 0.000 1.133 3497 L CA 0.008 54.837 54.840 -0.018 0.000 0.880 3497 L CB -0.345 41.670 42.059 -0.074 0.000 1.033 3497 L HN 0.111 nan 8.230 nan 0.000 0.450 3498 N N 0.306 119.018 118.700 0.020 0.000 2.735 3498 N HA -0.234 4.508 4.740 0.003 0.000 0.248 3498 N C 0.701 176.229 175.510 0.030 0.000 1.083 3498 N CA 0.303 53.376 53.050 0.038 0.000 0.703 3498 N CB -1.036 37.468 38.487 0.028 0.000 1.005 3498 N HN 0.132 nan 8.380 nan 0.000 0.550 3499 L N 0.263 121.483 121.223 -0.005 0.000 2.191 3499 L HA -0.052 4.290 4.340 0.003 0.000 0.212 3499 L C 2.068 178.987 176.870 0.082 0.000 1.103 3499 L CA 1.714 56.526 54.840 -0.047 0.000 0.769 3499 L CB -0.203 41.623 42.059 -0.387 0.000 0.908 3499 L HN 0.307 nan 8.230 nan 0.000 0.438 3500 K N -1.507 118.985 120.400 0.154 0.000 2.103 3500 K HA -0.023 4.299 4.320 0.003 0.000 0.204 3500 K C 2.080 178.747 176.600 0.112 0.000 1.052 3500 K CA 0.995 57.377 56.287 0.157 0.000 0.945 3500 K CB -0.527 32.082 32.500 0.182 0.000 0.722 3500 K HN 0.416 nan 8.250 nan 0.000 0.443 3501 G N 1.954 110.812 108.800 0.096 0.000 2.421 3501 G HA2 -0.253 3.709 3.960 0.003 0.000 0.216 3501 G HA3 -0.253 3.709 3.960 0.003 0.000 0.216 3501 G C 1.452 176.413 174.900 0.103 0.000 1.171 3501 G CA 0.564 45.716 45.100 0.086 0.000 0.775 3501 G HN 0.149 nan 8.290 nan 0.000 0.543 3502 L N 1.041 122.328 121.223 0.106 0.000 1.990 3502 L HA -0.060 4.282 4.340 0.003 0.000 0.213 3502 L C 2.695 179.666 176.870 0.169 0.000 1.072 3502 L CA 1.571 56.499 54.840 0.147 0.000 0.755 3502 L CB -0.588 41.529 42.059 0.095 0.000 0.889 3502 L HN 0.301 nan 8.230 nan 0.000 0.432 3503 I N -1.180 119.486 120.570 0.160 0.000 2.286 3503 I HA -0.304 3.868 4.170 0.003 0.000 0.248 3503 I C 2.669 178.846 176.117 0.100 0.000 1.115 3503 I CA 1.488 62.859 61.300 0.119 0.000 1.392 3503 I CB -0.523 37.457 38.000 -0.033 0.000 1.065 3503 I HN 0.396 nan 8.210 nan 0.000 0.418 3504 S N 0.924 116.684 115.700 0.100 0.000 2.356 3504 S HA -0.168 4.304 4.470 0.003 0.000 0.223 3504 S C 2.022 176.673 174.600 0.085 0.000 1.032 3504 S CA 1.191 59.446 58.200 0.091 0.000 1.005 3504 S CB -0.226 63.026 63.200 0.086 0.000 0.867 3504 S HN 0.212 nan 8.310 nan 0.000 0.449 3505 L N 2.165 123.449 121.223 0.101 0.000 1.990 3505 L HA -0.099 4.243 4.340 0.003 0.000 0.213 3505 L C 2.704 179.612 176.870 0.064 0.000 1.072 3505 L CA 1.939 56.843 54.840 0.107 0.000 0.755 3505 L CB -0.771 41.395 42.059 0.179 0.000 0.889 3505 L HN 0.304 nan 8.230 nan 0.000 0.432 3506 E N -0.612 119.615 120.200 0.046 0.000 2.106 3506 E HA -0.198 4.154 4.350 0.003 0.000 0.192 3506 E C 1.895 178.507 176.600 0.021 0.000 0.984 3506 E CA 1.149 57.550 56.400 0.002 0.000 0.806 3506 E CB -0.283 29.432 29.700 0.025 0.000 0.750 3506 E HN 0.518 nan 8.360 nan 0.000 0.458 3507 D N 1.174 121.601 120.400 0.045 0.000 2.104 3507 D HA -0.152 4.490 4.640 0.003 0.000 0.194 3507 D C 1.524 177.850 176.300 0.042 0.000 0.994 3507 D CA 1.044 55.072 54.000 0.045 0.000 0.830 3507 D CB -0.225 40.611 40.800 0.061 0.000 0.959 3507 D HN 0.167 nan 8.370 nan 0.000 0.452 3508 D N 0.026 120.454 120.400 0.047 0.000 2.097 3508 D HA -0.121 4.521 4.640 0.003 0.000 0.197 3508 D C 2.075 178.403 176.300 0.047 0.000 0.984 3508 D CA 0.518 54.545 54.000 0.047 0.000 0.826 3508 D CB -0.168 40.662 40.800 0.050 0.000 0.973 3508 D HN 0.205 nan 8.370 nan 0.000 0.460 3509 R N 0.886 121.412 120.500 0.043 0.000 2.073 3509 R HA -0.172 4.170 4.340 0.003 0.000 0.234 3509 R C 1.992 178.334 176.300 0.070 0.000 1.134 3509 R CA 1.532 57.661 56.100 0.048 0.000 0.952 3509 R CB -0.181 30.131 30.300 0.020 0.000 0.850 3509 R HN 0.004 nan 8.270 nan 0.000 0.433 3510 N N 0.280 119.004 118.700 0.040 0.000 2.166 3510 N HA -0.135 4.607 4.740 0.003 0.000 0.186 3510 N C 1.509 177.072 175.510 0.088 0.000 1.019 3510 N CA 1.834 54.907 53.050 0.037 0.000 0.856 3510 N CB -0.214 38.265 38.487 -0.013 0.000 0.993 3510 N HN 0.366 nan 8.380 nan 0.000 0.426 3511 A N -0.274 122.585 122.820 0.066 0.000 2.015 3511 A HA -0.026 4.296 4.320 0.003 0.000 0.219 3511 A C 1.461 179.087 177.584 0.070 0.000 1.163 3511 A CA 1.184 53.258 52.037 0.062 0.000 0.646 3511 A CB -0.244 18.782 19.000 0.044 0.000 0.806 3511 A HN 0.366 nan 8.150 nan 0.000 0.448 3512 N N -1.568 117.179 118.700 0.077 0.000 2.230 3512 N HA 0.098 4.840 4.740 0.003 0.000 0.202 3512 N C 0.786 176.331 175.510 0.059 0.000 1.119 3512 N CA -0.053 53.028 53.050 0.051 0.000 0.851 3512 N CB -0.069 38.437 38.487 0.032 0.000 0.990 3512 N HN 0.510 nan 8.380 nan 0.000 0.497 3513 F N 2.355 122.281 119.950 -0.041 0.000 2.134 3513 F HA -0.089 4.440 4.527 0.002 0.000 0.299 3513 F C 2.300 178.051 175.800 -0.081 0.000 1.097 3513 F CA 1.453 59.414 58.000 -0.064 0.000 1.264 3513 F CB 0.110 39.077 39.000 -0.054 0.000 1.001 3513 F HN 0.051 nan 8.300 nan 0.000 0.479 3514 E N -0.598 119.512 120.200 -0.149 0.000 2.085 3514 E HA -0.247 4.105 4.350 0.003 0.000 0.194 3514 E C 2.340 178.792 176.600 -0.247 0.000 0.994 3514 E CA 1.482 57.736 56.400 -0.243 0.000 0.801 3514 E CB -0.412 29.258 29.700 -0.051 0.000 0.743 3514 E HN 0.431 nan 8.360 nan 0.000 0.453 3515 S N 0.173 115.783 115.700 -0.149 0.000 2.368 3515 S HA -0.082 4.389 4.470 0.003 0.000 0.224 3515 S C 1.697 176.205 174.600 -0.154 0.000 1.029 3515 S CA 1.154 59.284 58.200 -0.116 0.000 0.988 3515 S CB -0.158 63.006 63.200 -0.061 0.000 0.838 3515 S HN 0.294 nan 8.310 nan 0.000 0.462 3516 N N 0.278 118.867 118.700 -0.185 0.000 2.376 3516 N HA 0.076 4.818 4.740 0.003 0.000 0.177 3516 N C 1.405 176.743 175.510 -0.287 0.000 1.024 3516 N CA 0.925 53.866 53.050 -0.181 0.000 0.893 3516 N CB 0.117 38.534 38.487 -0.117 0.000 0.980 3516 N HN 0.316 nan 8.380 nan 0.000 0.439 3517 V N 0.273 119.883 119.914 -0.508 0.000 3.097 3517 V HA 0.126 4.248 4.120 0.003 0.000 0.223 3517 V C 2.148 177.772 176.094 -0.783 0.000 1.199 3517 V CA 0.063 61.934 62.300 -0.714 0.000 1.260 3517 V CB -0.328 30.904 31.823 -0.985 0.000 1.155 3517 V HN -0.007 nan 8.190 nan 0.000 0.509 3518 L N 0.222 120.959 121.223 -0.811 0.000 2.127 3518 L HA -0.152 4.190 4.340 0.003 0.000 0.211 3518 L C 1.991 178.792 176.870 -0.115 0.000 1.089 3518 L CA 1.728 56.298 54.840 -0.451 0.000 0.757 3518 L CB -0.485 41.376 42.059 -0.331 0.000 0.899 3518 L HN 0.334 nan 8.230 nan 0.000 0.434 3519 K N -0.645 119.666 120.400 -0.150 0.000 2.372 3519 K HA 0.080 4.402 4.320 0.003 0.000 0.200 3519 K C 0.427 177.011 176.600 -0.027 0.000 1.022 3519 K CA -0.256 56.001 56.287 -0.050 0.000 1.125 3519 K CB 0.111 32.572 32.500 -0.065 0.000 0.855 3519 K HN 0.187 nan 8.250 nan 0.000 0.524 3520 N N 2.034 120.714 118.700 -0.034 0.000 2.475 3520 N HA -0.073 4.669 4.740 0.003 0.000 0.267 3520 N C 0.589 176.142 175.510 0.071 0.000 1.169 3520 N CA 0.401 53.450 53.050 -0.002 0.000 0.947 3520 N CB 1.322 39.786 38.487 -0.040 0.000 1.061 3520 N HN 0.044 nan 8.380 nan 0.000 0.466 3521 E N 4.079 124.293 120.200 0.023 0.000 2.150 3521 E HA -0.094 4.258 4.350 0.003 0.000 0.193 3521 E C 1.173 177.773 176.600 0.001 0.000 0.985 3521 E CA 1.478 57.883 56.400 0.009 0.000 0.814 3521 E CB 0.232 29.926 29.700 -0.010 0.000 0.752 3521 E HN 0.572 nan 8.360 nan 0.000 0.466 3522 K N -0.565 119.841 120.400 0.011 0.000 2.097 3522 K HA -0.126 4.196 4.320 0.003 0.000 0.205 3522 K C 2.065 178.673 176.600 0.013 0.000 1.050 3522 K CA 1.183 57.468 56.287 -0.004 0.000 0.938 3522 K CB -0.350 32.142 32.500 -0.012 0.000 0.718 3522 K HN 0.202 nan 8.250 nan 0.000 0.442 3523 F N 2.219 122.118 119.950 -0.085 0.000 2.102 3523 F HA -0.182 4.347 4.527 0.003 0.000 0.298 3523 F C 1.821 177.576 175.800 -0.075 0.000 1.105 3523 F CA 1.336 59.285 58.000 -0.085 0.000 1.239 3523 F CB -0.323 38.616 39.000 -0.102 0.000 0.991 3523 F HN -0.131 nan 8.300 nan 0.000 0.474 3524 L N -0.030 121.079 121.223 -0.191 0.000 2.046 3524 L HA -0.206 4.136 4.340 0.003 0.000 0.208 3524 L C 2.232 178.943 176.870 -0.264 0.000 1.077 3524 L CA 1.503 56.167 54.840 -0.293 0.000 0.747 3524 L CB -0.867 41.145 42.059 -0.079 0.000 0.896 3524 L HN 0.111 nan 8.230 nan 0.000 0.432 3525 D N -0.298 120.002 120.400 -0.165 0.000 2.144 3525 D HA -0.202 4.440 4.640 0.003 0.000 0.200 3525 D C 2.036 178.243 176.300 -0.155 0.000 0.978 3525 D CA 1.032 54.950 54.000 -0.136 0.000 0.833 3525 D CB 0.052 40.801 40.800 -0.085 0.000 0.961 3525 D HN 0.369 nan 8.370 nan 0.000 0.470 3526 E N 0.641 120.739 120.200 -0.171 0.000 2.077 3526 E HA -0.174 4.178 4.350 0.003 0.000 0.193 3526 E C 1.976 178.449 176.600 -0.212 0.000 0.989 3526 E CA 1.062 57.366 56.400 -0.160 0.000 0.800 3526 E CB 0.038 29.657 29.700 -0.135 0.000 0.746 3526 E HN 0.139 nan 8.360 nan 0.000 0.452 3527 A N 1.269 123.879 122.820 -0.350 0.000 1.902 3527 A HA -0.197 4.125 4.320 0.003 0.000 0.217 3527 A C 2.164 179.597 177.584 -0.252 0.000 1.181 3527 A CA 1.578 53.396 52.037 -0.364 0.000 0.623 3527 A CB -0.461 18.181 19.000 -0.597 0.000 0.818 3527 A HN 0.203 nan 8.150 nan 0.000 0.443 3528 R N -0.680 119.676 120.500 -0.241 0.000 2.066 3528 R HA -0.123 4.219 4.340 0.003 0.000 0.232 3528 R C 2.357 178.560 176.300 -0.162 0.000 1.131 3528 R CA 1.400 57.370 56.100 -0.215 0.000 0.955 3528 R CB -0.355 29.823 30.300 -0.203 0.000 0.851 3528 R HN 0.800 nan 8.270 nan 0.000 0.432 3529 E N 1.263 121.386 120.200 -0.129 0.000 2.077 3529 E HA -0.207 4.145 4.350 0.003 0.000 0.193 3529 E C 1.941 178.497 176.600 -0.074 0.000 0.989 3529 E CA 1.237 57.586 56.400 -0.085 0.000 0.800 3529 E CB -0.024 29.633 29.700 -0.071 0.000 0.746 3529 E HN 0.312 nan 8.360 nan 0.000 0.452 3530 I N 0.733 121.251 120.570 -0.087 0.000 2.226 3530 I HA -0.232 3.940 4.170 0.003 0.000 0.245 3530 I C 2.572 178.653 176.117 -0.060 0.000 1.100 3530 I CA 0.899 62.161 61.300 -0.064 0.000 1.374 3530 I CB -0.240 37.719 38.000 -0.067 0.000 1.057 3530 I HN 0.090 nan 8.210 nan 0.000 0.413 3531 S N 0.693 116.339 115.700 -0.090 0.000 2.368 3531 S HA -0.183 4.289 4.470 0.003 0.000 0.225 3531 S C 1.910 176.478 174.600 -0.053 0.000 1.030 3531 S CA 1.293 59.443 58.200 -0.083 0.000 0.999 3531 S CB -0.206 62.914 63.200 -0.134 0.000 0.844 3531 S HN 0.371 nan 8.310 nan 0.000 0.459 3532 K N 1.073 121.438 120.400 -0.058 0.000 2.280 3532 K HA -0.053 4.269 4.320 0.003 0.000 0.202 3532 K C 2.013 178.620 176.600 0.012 0.000 1.047 3532 K CA 0.813 57.096 56.287 -0.005 0.000 0.942 3532 K CB -0.070 32.429 32.500 -0.001 0.000 0.739 3532 K HN 0.309 nan 8.250 nan 0.000 0.457 3533 K N 0.306 120.704 120.400 -0.004 0.000 2.026 3533 K HA -0.099 4.223 4.320 0.003 0.000 0.208 3533 K C 2.284 178.891 176.600 0.011 0.000 1.048 3533 K CA 1.508 57.797 56.287 0.004 0.000 0.929 3533 K CB -0.062 32.437 32.500 -0.002 0.000 0.713 3533 K HN 0.005 nan 8.250 nan 0.000 0.439 3534 S N 1.376 117.082 115.700 0.009 0.000 2.343 3534 S HA -0.051 4.421 4.470 0.003 0.000 0.219 3534 S C 1.172 175.787 174.600 0.025 0.000 1.033 3534 S CA 0.638 58.847 58.200 0.014 0.000 1.014 3534 S CB -0.306 62.901 63.200 0.010 0.000 0.915 3534 S HN 0.164 nan 8.310 nan 0.000 0.435 3535 I N 3.007 123.600 120.570 0.037 0.000 3.003 3535 I HA 0.019 4.191 4.170 0.003 0.000 0.294 3535 I C -2.267 173.878 176.117 0.047 0.000 1.237 3535 I CA -1.634 59.700 61.300 0.056 0.000 1.417 3535 I CB -0.382 37.681 38.000 0.103 0.000 1.340 3535 I HN 0.030 nan 8.210 nan 0.000 0.594 3536 P HA -0.063 nan 4.420 nan 0.000 0.269 3536 P C -0.144 177.181 177.300 0.040 0.000 1.205 3536 P CA 0.383 63.502 63.100 0.032 0.000 0.780 3536 P CB 0.269 31.982 31.700 0.023 0.000 0.858 3537 E N -0.346 119.872 120.200 0.031 0.000 3.763 3537 E HA -0.259 4.093 4.350 0.003 0.000 0.319 3537 E C 0.496 177.105 176.600 0.015 0.000 0.804 3537 E CA 0.771 57.183 56.400 0.020 0.000 1.196 3537 E CB -1.878 27.833 29.700 0.018 0.000 1.607 3537 E HN 0.553 nan 8.360 nan 0.000 0.431 3538 A N -2.001 120.828 122.820 0.015 0.000 3.521 3538 A HA -0.037 4.285 4.320 0.003 0.000 0.195 3538 A C 1.520 179.101 177.584 -0.004 0.000 1.335 3538 A CA 0.504 52.544 52.037 0.005 0.000 1.205 3538 A CB -0.599 18.403 19.000 0.003 0.000 0.861 3538 A HN 0.141 nan 8.150 nan 0.000 0.397 3539 T N 0.583 115.135 114.554 -0.002 0.000 3.023 3539 T HA 0.073 4.425 4.350 0.003 0.000 0.266 3539 T C 1.775 176.433 174.700 -0.069 0.000 1.093 3539 T CA 1.475 63.557 62.100 -0.030 0.000 1.129 3539 T CB -0.125 68.738 68.868 -0.007 0.000 0.899 3539 T HN 0.274 nan 8.240 nan 0.000 0.491 3540 V N 1.941 121.853 119.914 -0.002 0.000 2.216 3540 V HA -0.213 3.909 4.120 0.003 0.000 0.242 3540 V C 2.512 178.571 176.094 -0.058 0.000 1.042 3540 V CA 1.656 63.974 62.300 0.031 0.000 0.991 3540 V CB -0.482 31.405 31.823 0.106 0.000 0.633 3540 V HN 0.411 nan 8.190 nan 0.000 0.449 3541 K N -0.371 120.021 120.400 -0.014 0.000 2.127 3541 K HA -0.327 3.995 4.320 0.003 0.000 0.208 3541 K C 2.266 178.874 176.600 0.014 0.000 1.047 3541 K CA 2.128 58.409 56.287 -0.010 0.000 0.927 3541 K CB -0.295 32.221 32.500 0.026 0.000 0.716 3541 K HN 0.549 nan 8.250 nan 0.000 0.450 3542 Q N 0.740 120.529 119.800 -0.019 0.000 2.045 3542 Q HA -0.191 4.151 4.340 0.003 0.000 0.206 3542 Q C 1.768 177.729 176.000 -0.066 0.000 0.991 3542 Q CA 1.988 57.777 55.803 -0.024 0.000 0.851 3542 Q CB -0.014 28.681 28.738 -0.071 0.000 0.911 3542 Q HN 0.323 nan 8.270 nan 0.000 0.418 3543 M N -0.034 119.358 119.600 -0.346 0.000 2.561 3543 M HA 0.020 4.502 4.480 0.003 0.000 0.238 3543 M C 2.057 177.977 176.300 -0.634 0.000 1.131 3543 M CA 0.551 55.450 55.300 -0.667 0.000 1.046 3543 M CB 0.297 32.034 32.600 -1.438 0.000 1.532 3543 M HN 0.195 nan 8.290 nan 0.000 0.497 3544 S N 0.622 116.109 115.700 -0.355 0.000 2.420 3544 S HA -0.198 4.274 4.470 0.003 0.000 0.237 3544 S C 1.651 176.096 174.600 -0.259 0.000 1.023 3544 S CA 1.266 59.324 58.200 -0.238 0.000 0.991 3544 S CB -0.505 62.499 63.200 -0.326 0.000 0.792 3544 S HN 0.587 nan 8.310 nan 0.000 0.488 3545 H N -0.012 119.007 119.070 -0.085 0.000 2.551 3545 H HA 0.295 4.852 4.556 0.002 0.000 0.266 3545 H C 0.312 175.620 175.328 -0.033 0.000 0.964 3545 H CA 0.012 56.034 56.048 -0.044 0.000 1.180 3545 H CB -0.048 29.684 29.762 -0.050 0.000 1.408 3545 H HN 0.370 nan 8.280 nan 0.000 0.563 3546 L N 3.352 124.600 121.223 0.042 0.000 2.477 3546 L HA 0.022 4.364 4.340 0.003 0.000 0.272 3546 L C -1.161 175.763 176.870 0.090 0.000 1.157 3546 L CA -1.380 53.485 54.840 0.041 0.000 0.889 3546 L CB 0.794 42.848 42.059 -0.009 0.000 1.158 3546 L HN -0.053 nan 8.230 nan 0.000 0.473 3547 P HA -0.181 nan 4.420 nan 0.000 0.217 3547 P C 0.727 178.077 177.300 0.082 0.000 1.148 3547 P CA 1.197 64.337 63.100 0.067 0.000 0.828 3547 P CB 0.306 32.034 31.700 0.047 0.000 0.783 3548 E N -2.430 117.830 120.200 0.100 0.000 2.435 3548 E HA -0.039 4.313 4.350 0.003 0.000 0.195 3548 E C 1.466 178.152 176.600 0.143 0.000 1.029 3548 E CA 0.093 56.552 56.400 0.098 0.000 0.865 3548 E CB -0.805 28.947 29.700 0.085 0.000 0.833 3548 E HN 0.139 nan 8.360 nan 0.000 0.510 3549 F N 2.342 122.289 119.950 -0.005 0.000 2.091 3549 F HA -0.238 4.288 4.527 -0.002 0.000 0.299 3549 F C 1.388 177.175 175.800 -0.021 0.000 1.103 3549 F CA 1.605 59.599 58.000 -0.011 0.000 1.228 3549 F CB -0.227 38.766 39.000 -0.013 0.000 0.984 3549 F HN -0.033 nan 8.300 nan 0.000 0.477 3550 D N 0.019 120.407 120.400 -0.020 0.000 2.271 3550 D HA -0.166 4.476 4.640 0.003 0.000 0.207 3550 D C 1.750 177.966 176.300 -0.140 0.000 0.983 3550 D CA 1.456 55.383 54.000 -0.123 0.000 0.878 3550 D CB -0.293 40.481 40.800 -0.043 0.000 0.920 3550 D HN 0.429 nan 8.370 nan 0.000 0.479 3551 D N -0.404 119.944 120.400 -0.087 0.000 2.338 3551 D HA 0.083 4.725 4.640 0.003 0.000 0.224 3551 D C 2.372 178.622 176.300 -0.083 0.000 0.967 3551 D CA -0.121 53.840 54.000 -0.066 0.000 0.896 3551 D CB 0.039 40.828 40.800 -0.017 0.000 1.028 3551 D HN 0.208 nan 8.370 nan 0.000 0.493 3552 I N 1.055 121.581 120.570 -0.074 0.000 2.236 3552 I HA -0.276 3.896 4.170 0.003 0.000 0.249 3552 I C 1.962 177.990 176.117 -0.149 0.000 1.102 3552 I CA 0.745 62.005 61.300 -0.066 0.000 1.365 3552 I CB -0.030 37.982 38.000 0.019 0.000 1.051 3552 I HN 0.001 nan 8.210 nan 0.000 0.420 3553 L N 0.237 121.287 121.223 -0.288 0.000 2.275 3553 L HA -0.124 4.218 4.340 0.003 0.000 0.215 3553 L C 2.430 179.178 176.870 -0.204 0.000 1.119 3553 L CA 2.140 56.796 54.840 -0.306 0.000 0.790 3553 L CB -1.239 40.554 42.059 -0.444 0.000 0.919 3553 L HN 0.442 nan 8.230 nan 0.000 0.443 3554 T N -5.127 109.330 114.554 -0.161 0.000 3.044 3554 T HA 0.041 4.393 4.350 0.003 0.000 0.260 3554 T C 1.387 176.056 174.700 -0.051 0.000 1.019 3554 T CA 0.254 62.272 62.100 -0.136 0.000 0.921 3554 T CB 0.046 68.832 68.868 -0.137 0.000 1.053 3554 T HN 0.487 nan 8.240 nan 0.000 0.533 3555 E N 1.729 121.907 120.200 -0.036 0.000 2.106 3555 E HA -0.007 4.345 4.350 0.003 0.000 0.192 3555 E C 2.321 178.933 176.600 0.021 0.000 0.984 3555 E CA 1.221 57.623 56.400 0.004 0.000 0.806 3555 E CB -1.015 28.685 29.700 0.001 0.000 0.750 3555 E HN 0.481 nan 8.360 nan 0.000 0.458 3556 G N 1.447 110.249 108.800 0.003 0.000 2.421 3556 G HA2 -0.211 3.751 3.960 0.003 0.000 0.216 3556 G HA3 -0.211 3.751 3.960 0.003 0.000 0.216 3556 G C 1.814 176.742 174.900 0.047 0.000 1.171 3556 G CA 1.129 46.239 45.100 0.016 0.000 0.775 3556 G HN 0.437 nan 8.290 nan 0.000 0.543 3557 A N 0.711 123.556 122.820 0.042 0.000 1.933 3557 A HA 0.017 4.338 4.320 0.003 0.000 0.218 3557 A C 2.302 180.052 177.584 0.278 0.000 1.175 3557 A CA 1.968 54.075 52.037 0.117 0.000 0.628 3557 A CB -0.332 18.652 19.000 -0.027 0.000 0.814 3557 A HN 0.383 nan 8.150 nan 0.000 0.444 3558 K N -0.275 120.273 120.400 0.246 0.000 2.026 3558 K HA -0.121 4.201 4.320 0.003 0.000 0.208 3558 K C 2.021 178.723 176.600 0.169 0.000 1.048 3558 K CA 1.359 57.795 56.287 0.249 0.000 0.929 3558 K CB -0.120 32.483 32.500 0.171 0.000 0.713 3558 K HN 0.192 nan 8.250 nan 0.000 0.439 3559 K N 0.760 121.230 120.400 0.118 0.000 2.063 3559 K HA -0.120 4.202 4.320 0.003 0.000 0.208 3559 K C 2.163 178.817 176.600 0.091 0.000 1.048 3559 K CA 1.027 57.366 56.287 0.087 0.000 0.928 3559 K CB -0.517 32.016 32.500 0.055 0.000 0.713 3559 K HN 0.007 nan 8.250 nan 0.000 0.442 3560 V N 2.080 122.057 119.914 0.105 0.000 2.295 3560 V HA -0.207 3.915 4.120 0.003 0.000 0.246 3560 V C 2.301 178.471 176.094 0.127 0.000 1.049 3560 V CA 1.724 64.083 62.300 0.098 0.000 1.024 3560 V CB -0.319 31.567 31.823 0.105 0.000 0.648 3560 V HN 0.284 nan 8.190 nan 0.000 0.447 3561 E N 0.063 120.373 120.200 0.183 0.000 2.106 3561 E HA -0.131 4.221 4.350 0.003 0.000 0.192 3561 E C 2.457 179.200 176.600 0.239 0.000 0.984 3561 E CA 1.421 57.959 56.400 0.230 0.000 0.806 3561 E CB -0.473 29.345 29.700 0.196 0.000 0.750 3561 E HN 0.534 nan 8.360 nan 0.000 0.458 3562 S N 0.866 116.699 115.700 0.223 0.000 2.382 3562 S HA -0.154 4.318 4.470 0.003 0.000 0.228 3562 S C 1.946 176.539 174.600 -0.010 0.000 1.027 3562 S CA 1.156 59.430 58.200 0.123 0.000 0.991 3562 S CB -0.091 63.198 63.200 0.148 0.000 0.823 3562 S HN 0.224 nan 8.310 nan 0.000 0.469 3563 R N 0.850 121.363 120.500 0.021 0.000 2.070 3563 R HA -0.014 4.328 4.340 0.003 0.000 0.233 3563 R C 2.194 178.475 176.300 -0.032 0.000 1.137 3563 R CA 1.423 57.517 56.100 -0.010 0.000 0.945 3563 R CB -0.405 29.896 30.300 0.002 0.000 0.845 3563 R HN 0.361 nan 8.270 nan 0.000 0.430 3564 I N 1.168 121.738 120.570 -0.001 0.000 2.163 3564 I HA -0.314 3.858 4.170 0.003 0.000 0.243 3564 I C 2.196 178.278 176.117 -0.058 0.000 1.085 3564 I CA 1.570 62.872 61.300 0.003 0.000 1.347 3564 I CB -0.440 37.623 38.000 0.105 0.000 1.044 3564 I HN 0.334 nan 8.210 nan 0.000 0.408 3565 N N 1.180 119.790 118.700 -0.150 0.000 2.166 3565 N HA -0.244 4.498 4.740 0.003 0.000 0.186 3565 N C 1.801 177.159 175.510 -0.252 0.000 1.019 3565 N CA 1.442 54.289 53.050 -0.338 0.000 0.856 3565 N CB -0.111 37.781 38.487 -0.992 0.000 0.993 3565 N HN 0.184 nan 8.380 nan 0.000 0.426 3566 K N -0.502 119.785 120.400 -0.188 0.000 2.097 3566 K HA -0.015 4.307 4.320 0.003 0.000 0.205 3566 K C 1.716 178.263 176.600 -0.090 0.000 1.050 3566 K CA 1.170 57.382 56.287 -0.125 0.000 0.938 3566 K CB -0.171 32.277 32.500 -0.086 0.000 0.718 3566 K HN 0.251 nan 8.250 nan 0.000 0.442 3567 A N 0.980 123.750 122.820 -0.083 0.000 1.970 3567 A HA -0.052 4.270 4.320 0.003 0.000 0.216 3567 A C 1.928 179.476 177.584 -0.059 0.000 1.170 3567 A CA 1.293 53.291 52.037 -0.066 0.000 0.645 3567 A CB -0.386 18.573 19.000 -0.068 0.000 0.816 3567 A HN 0.495 nan 8.150 nan 0.000 0.447 3568 I N -3.649 116.873 120.570 -0.080 0.000 3.462 3568 I HA 0.153 4.325 4.170 0.003 0.000 0.290 3568 I C 0.350 176.435 176.117 -0.053 0.000 1.236 3568 I CA 0.281 61.533 61.300 -0.079 0.000 1.418 3568 I CB -0.713 37.204 38.000 -0.139 0.000 1.102 3568 I HN -0.128 nan 8.210 nan 0.000 0.441 3569 T N 2.857 117.372 114.554 -0.065 0.000 2.853 3569 T HA 0.101 4.453 4.350 0.003 0.000 0.298 3569 T C -0.504 174.219 174.700 0.037 0.000 0.978 3569 T CA 0.147 62.221 62.100 -0.044 0.000 1.152 3569 T CB -0.072 68.745 68.868 -0.084 0.000 0.914 3569 T HN 0.194 nan 8.240 nan 0.000 0.539 3570 F N 4.662 124.549 119.950 -0.105 0.000 2.438 3570 F HA 0.498 5.027 4.527 0.003 0.000 0.360 3570 F C 0.594 176.374 175.800 -0.034 0.000 1.118 3570 F CA -1.109 56.846 58.000 -0.075 0.000 1.164 3570 F CB 0.264 39.204 39.000 -0.100 0.000 1.131 3570 F HN 0.362 nan 8.300 nan 0.000 0.527 3571 R N 7.596 127.826 120.500 -0.451 0.000 2.855 3571 R HA 0.367 4.709 4.340 0.003 0.000 0.261 3571 R C -2.968 173.156 176.300 -0.294 0.000 1.826 3571 R CA -1.693 54.209 56.100 -0.330 0.000 1.435 3571 R CB 0.375 30.621 30.300 -0.089 0.000 1.383 3571 R HN 0.314 nan 8.270 nan 0.000 0.583 3572 P HA 0.169 nan 4.420 nan 0.000 0.274 3572 P C -0.489 176.875 177.300 0.107 0.000 1.231 3572 P CA -0.249 62.737 63.100 -0.191 0.000 0.790 3572 P CB 1.354 32.898 31.700 -0.259 0.000 0.951 3573 S N 0.618 116.370 115.700 0.085 0.000 2.600 3573 S HA 0.076 4.548 4.470 0.003 0.000 0.265 3573 S C 1.523 176.227 174.600 0.174 0.000 1.325 3573 S CA -0.646 57.611 58.200 0.095 0.000 1.002 3573 S CB 0.035 63.264 63.200 0.049 0.000 0.921 3573 S HN 0.223 nan 8.310 nan 0.000 0.554 3574 V N 1.703 121.678 119.914 0.102 0.000 2.324 3574 V HA -0.199 3.923 4.120 0.003 0.000 0.250 3574 V C 2.591 178.779 176.094 0.156 0.000 1.060 3574 V CA 2.454 64.819 62.300 0.108 0.000 1.042 3574 V CB -1.373 30.445 31.823 -0.008 0.000 0.650 3574 V HN 0.876 nan 8.190 nan 0.000 0.450 3575 E N -0.017 120.248 120.200 0.107 0.000 2.110 3575 E HA -0.189 4.163 4.350 0.003 0.000 0.193 3575 E C 2.206 178.884 176.600 0.129 0.000 0.988 3575 E CA 1.288 57.749 56.400 0.101 0.000 0.804 3575 E CB -0.215 29.524 29.700 0.064 0.000 0.745 3575 E HN 0.694 nan 8.360 nan 0.000 0.458 3576 E N -0.383 119.900 120.200 0.140 0.000 2.072 3576 E HA -0.113 4.239 4.350 0.003 0.000 0.190 3576 E C 1.741 178.448 176.600 0.178 0.000 0.982 3576 E CA 0.497 56.977 56.400 0.134 0.000 0.803 3576 E CB -0.190 29.572 29.700 0.102 0.000 0.755 3576 E HN 0.224 nan 8.360 nan 0.000 0.453 3577 F N 1.636 121.633 119.950 0.079 0.000 2.091 3577 F HA -0.287 4.242 4.527 0.003 0.000 0.299 3577 F C 2.287 178.138 175.800 0.084 0.000 1.103 3577 F CA 1.625 59.677 58.000 0.086 0.000 1.228 3577 F CB 0.051 39.127 39.000 0.127 0.000 0.984 3577 F HN -0.095 nan 8.300 nan 0.000 0.477 3578 S N -0.464 115.479 115.700 0.404 0.000 2.371 3578 S HA -0.205 4.267 4.470 0.003 0.000 0.224 3578 S C 1.851 176.533 174.600 0.137 0.000 1.029 3578 S CA 1.141 59.505 58.200 0.273 0.000 0.978 3578 S CB -0.419 62.904 63.200 0.205 0.000 0.833 3578 S HN 0.542 nan 8.310 nan 0.000 0.466 3579 E N 1.158 121.426 120.200 0.113 0.000 2.085 3579 E HA -0.156 4.196 4.350 0.003 0.000 0.194 3579 E C 1.856 178.483 176.600 0.045 0.000 0.994 3579 E CA 1.122 57.565 56.400 0.071 0.000 0.801 3579 E CB -0.205 29.536 29.700 0.068 0.000 0.743 3579 E HN 0.489 nan 8.360 nan 0.000 0.453 3580 I N 0.902 121.490 120.570 0.031 0.000 2.226 3580 I HA -0.288 3.884 4.170 0.003 0.000 0.245 3580 I C 2.633 178.727 176.117 -0.038 0.000 1.100 3580 I CA 0.822 62.114 61.300 -0.014 0.000 1.374 3580 I CB -0.320 37.654 38.000 -0.042 0.000 1.057 3580 I HN 0.196 nan 8.210 nan 0.000 0.413 3581 Q N 0.727 120.505 119.800 -0.037 0.000 2.030 3581 Q HA -0.234 4.108 4.340 0.003 0.000 0.204 3581 Q C 1.853 177.864 176.000 0.019 0.000 0.986 3581 Q CA 1.743 57.540 55.803 -0.010 0.000 0.843 3581 Q CB -0.518 28.257 28.738 0.060 0.000 0.904 3581 Q HN 0.541 nan 8.270 nan 0.000 0.420 3582 D N 0.508 120.929 120.400 0.034 0.000 2.117 3582 D HA -0.094 4.548 4.640 0.003 0.000 0.197 3582 D C 2.200 178.513 176.300 0.021 0.000 0.987 3582 D CA 0.648 54.668 54.000 0.033 0.000 0.829 3582 D CB -0.295 40.528 40.800 0.038 0.000 0.961 3582 D HN 0.177 nan 8.370 nan 0.000 0.460 3583 L N 0.539 121.770 121.223 0.013 0.000 2.083 3583 L HA -0.142 4.200 4.340 0.003 0.000 0.209 3583 L C 2.471 179.339 176.870 -0.003 0.000 1.083 3583 L CA 0.564 55.406 54.840 0.004 0.000 0.752 3583 L CB -0.220 41.839 42.059 0.001 0.000 0.899 3583 L HN -0.052 nan 8.230 nan 0.000 0.433 3584 V N -0.244 119.667 119.914 -0.006 0.000 2.515 3584 V HA -0.256 3.866 4.120 0.003 0.000 0.250 3584 V C 2.350 178.468 176.094 0.040 0.000 1.058 3584 V CA 1.530 63.830 62.300 -0.000 0.000 1.064 3584 V CB -0.543 31.278 31.823 -0.003 0.000 0.675 3584 V HN 0.440 nan 8.190 nan 0.000 0.461 3585 K N 0.571 120.992 120.400 0.036 0.000 2.209 3585 K HA -0.144 4.178 4.320 0.003 0.000 0.204 3585 K C 1.985 178.611 176.600 0.045 0.000 1.048 3585 K CA 1.811 58.124 56.287 0.044 0.000 0.940 3585 K CB -0.361 32.160 32.500 0.035 0.000 0.729 3585 K HN 0.694 nan 8.250 nan 0.000 0.451 3586 T N -1.162 113.412 114.554 0.034 0.000 3.107 3586 T HA 0.123 4.475 4.350 0.003 0.000 0.249 3586 T C 0.473 175.194 174.700 0.036 0.000 1.096 3586 T CA -0.362 61.755 62.100 0.028 0.000 1.012 3586 T CB 0.028 68.904 68.868 0.014 0.000 0.977 3586 T HN -0.183 nan 8.240 nan 0.000 0.527 3587 L N 3.176 124.434 121.223 0.058 0.000 2.426 3587 L HA 0.442 4.784 4.340 0.003 0.000 0.271 3587 L C -2.128 174.831 176.870 0.149 0.000 1.169 3587 L CA -2.315 52.574 54.840 0.083 0.000 0.836 3587 L CB 0.372 42.474 42.059 0.071 0.000 1.112 3587 L HN 0.091 nan 8.230 nan 0.000 0.465 3588 P HA 0.284 nan 4.420 nan 0.000 0.276 3588 P C -1.124 176.292 177.300 0.193 0.000 1.230 3588 P CA -0.376 62.796 63.100 0.121 0.000 0.776 3588 P CB 0.566 32.313 31.700 0.079 0.000 0.888 3589 K N 1.294 121.742 120.400 0.080 0.000 2.565 3589 K HA 0.368 4.690 4.320 0.003 0.000 0.251 3589 K C -0.920 175.650 176.600 -0.050 0.000 0.956 3589 K CA -0.426 55.842 56.287 -0.032 0.000 0.809 3589 K CB 1.779 34.184 32.500 -0.159 0.000 1.267 3589 K HN 0.364 nan 8.250 nan 0.000 0.438 3590 T N 1.897 116.415 114.554 -0.060 0.000 2.882 3590 T HA 0.249 4.601 4.350 0.003 0.000 0.287 3590 T C 0.673 175.338 174.700 -0.059 0.000 1.014 3590 T CA -0.040 62.033 62.100 -0.044 0.000 1.049 3590 T CB 0.753 69.603 68.868 -0.030 0.000 1.001 3590 T HN 0.664 nan 8.240 nan 0.000 0.525 3591 K N 1.637 122.012 120.400 -0.041 0.000 2.354 3591 K HA 0.234 4.556 4.320 0.003 0.000 0.194 3591 K C 0.472 177.050 176.600 -0.036 0.000 1.038 3591 K CA -0.139 56.123 56.287 -0.041 0.000 1.052 3591 K CB 0.615 33.097 32.500 -0.030 0.000 0.861 3591 K HN 0.402 nan 8.250 nan 0.000 0.535 3592 V N 2.611 122.506 119.914 -0.031 0.000 2.614 3592 V HA 0.107 4.229 4.120 0.003 0.000 0.291 3592 V C -0.027 176.049 176.094 -0.030 0.000 1.049 3592 V CA -0.558 61.727 62.300 -0.026 0.000 1.038 3592 V CB 0.399 32.210 31.823 -0.019 0.000 0.980 3592 V HN 0.096 nan 8.190 nan 0.000 0.481 3593 I N 6.269 126.823 120.570 -0.027 0.000 2.278 3593 I HA 0.271 4.443 4.170 0.003 0.000 0.300 3593 I C 0.789 176.892 176.117 -0.022 0.000 1.174 3593 I CA 0.299 61.583 61.300 -0.027 0.000 1.347 3593 I CB -1.082 36.903 38.000 -0.025 0.000 1.473 3593 I HN 0.723 nan 8.210 nan 0.000 0.595 3594 E N 4.124 124.311 120.200 -0.021 0.000 2.414 3594 E HA 0.021 4.373 4.350 0.003 0.000 0.263 3594 E C -0.077 176.515 176.600 -0.013 0.000 1.000 3594 E CA -0.231 56.160 56.400 -0.014 0.000 0.914 3594 E CB 0.805 30.499 29.700 -0.010 0.000 0.948 3594 E HN 0.506 nan 8.360 nan 0.000 0.444 3595 D N 2.064 122.458 120.400 -0.011 0.000 2.411 3595 D HA -0.034 4.608 4.640 0.003 0.000 0.251 3595 D C 0.922 177.217 176.300 -0.008 0.000 1.201 3595 D CA -0.558 53.435 54.000 -0.011 0.000 0.996 3595 D CB 0.645 41.439 40.800 -0.010 0.000 1.101 3595 D HN 0.368 nan 8.370 nan 0.000 0.504 3596 L N 0.211 121.428 121.223 -0.010 0.000 2.042 3596 L HA -0.211 4.131 4.340 0.003 0.000 0.210 3596 L C 2.215 179.086 176.870 0.002 0.000 1.076 3596 L CA 2.146 56.982 54.840 -0.007 0.000 0.749 3596 L CB -0.579 41.474 42.059 -0.012 0.000 0.893 3596 L HN 0.526 nan 8.230 nan 0.000 0.432 3597 S N -1.381 114.320 115.700 0.001 0.000 2.370 3597 S HA -0.218 4.254 4.470 0.003 0.000 0.226 3597 S C 1.901 176.505 174.600 0.006 0.000 1.033 3597 S CA 2.012 60.215 58.200 0.004 0.000 1.011 3597 S CB -0.501 62.699 63.200 0.001 0.000 0.852 3597 S HN 0.676 nan 8.310 nan 0.000 0.457 3598 T N 2.013 116.569 114.554 0.004 0.000 2.708 3598 T HA -0.034 4.318 4.350 0.003 0.000 0.266 3598 T C 1.839 176.546 174.700 0.012 0.000 1.037 3598 T CA 1.370 63.474 62.100 0.006 0.000 1.146 3598 T CB -0.236 68.633 68.868 0.002 0.000 0.865 3598 T HN 0.470 nan 8.240 nan 0.000 0.435 3599 K N 0.561 120.969 120.400 0.014 0.000 2.026 3599 K HA -0.071 4.251 4.320 0.003 0.000 0.208 3599 K C 2.626 179.248 176.600 0.036 0.000 1.048 3599 K CA 1.479 57.781 56.287 0.026 0.000 0.929 3599 K CB -0.434 32.079 32.500 0.022 0.000 0.713 3599 K HN 0.223 nan 8.250 nan 0.000 0.439 3600 T N 1.625 116.198 114.554 0.031 0.000 2.684 3600 T HA -0.130 4.222 4.350 0.003 0.000 0.267 3600 T C 1.612 176.331 174.700 0.031 0.000 1.036 3600 T CA 1.462 63.585 62.100 0.038 0.000 1.148 3600 T CB -0.266 68.619 68.868 0.029 0.000 0.863 3600 T HN 0.202 nan 8.240 nan 0.000 0.436 3601 N N 0.913 119.626 118.700 0.022 0.000 2.188 3601 N HA -0.055 4.687 4.740 0.003 0.000 0.184 3601 N C 1.954 177.475 175.510 0.018 0.000 1.018 3601 N CA 0.935 53.995 53.050 0.016 0.000 0.858 3601 N CB -0.240 38.253 38.487 0.010 0.000 0.989 3601 N HN 0.565 nan 8.380 nan 0.000 0.426 3602 E N 0.607 120.821 120.200 0.022 0.000 2.051 3602 E HA -0.091 4.261 4.350 0.003 0.000 0.192 3602 E C 2.036 178.656 176.600 0.033 0.000 0.991 3602 E CA 0.697 57.112 56.400 0.025 0.000 0.799 3602 E CB -0.068 29.650 29.700 0.031 0.000 0.748 3602 E HN 0.367 nan 8.360 nan 0.000 0.449 3603 I N 0.950 121.547 120.570 0.046 0.000 2.252 3603 I HA -0.217 3.955 4.170 0.003 0.000 0.245 3603 I C 2.399 178.540 176.117 0.039 0.000 1.102 3603 I CA 1.034 62.369 61.300 0.058 0.000 1.385 3603 I CB -0.442 37.605 38.000 0.080 0.000 1.064 3603 I HN 0.100 nan 8.210 nan 0.000 0.414 3604 T N 0.306 114.878 114.554 0.030 0.000 2.708 3604 T HA -0.147 4.205 4.350 0.003 0.000 0.266 3604 T C 1.813 176.518 174.700 0.009 0.000 1.037 3604 T CA 1.181 63.291 62.100 0.017 0.000 1.146 3604 T CB -0.171 68.705 68.868 0.014 0.000 0.865 3604 T HN 0.286 nan 8.240 nan 0.000 0.435 3605 E N 1.296 121.500 120.200 0.008 0.000 2.077 3605 E HA -0.036 4.316 4.350 0.003 0.000 0.193 3605 E C 2.566 179.162 176.600 -0.007 0.000 0.989 3605 E CA 1.134 57.533 56.400 -0.002 0.000 0.800 3605 E CB -0.545 29.153 29.700 -0.004 0.000 0.746 3605 E HN 0.516 nan 8.360 nan 0.000 0.452 3606 A N 1.179 123.999 122.820 -0.000 0.000 1.933 3606 A HA -0.155 4.167 4.320 0.003 0.000 0.218 3606 A C 2.232 179.816 177.584 -0.000 0.000 1.175 3606 A CA 1.169 53.202 52.037 -0.008 0.000 0.628 3606 A CB -0.516 18.493 19.000 0.015 0.000 0.814 3606 A HN 0.223 nan 8.150 nan 0.000 0.444 3607 L N -0.310 120.921 121.223 0.014 0.000 2.056 3607 L HA 0.008 4.350 4.340 0.003 0.000 0.207 3607 L C 2.675 179.547 176.870 0.004 0.000 1.078 3607 L CA 2.069 56.918 54.840 0.015 0.000 0.749 3607 L CB -0.839 41.226 42.059 0.010 0.000 0.901 3607 L HN 0.333 nan 8.230 nan 0.000 0.433 3608 A N -0.728 122.090 122.820 -0.002 0.000 2.019 3608 A HA -0.052 4.270 4.320 0.003 0.000 0.219 3608 A C 2.366 179.945 177.584 -0.010 0.000 1.164 3608 A CA 1.453 53.486 52.037 -0.006 0.000 0.644 3608 A CB -0.944 18.052 19.000 -0.007 0.000 0.805 3608 A HN 0.526 nan 8.150 nan 0.000 0.449 3609 A N -0.371 122.439 122.820 -0.017 0.000 2.066 3609 A HA 0.008 4.330 4.320 0.003 0.000 0.218 3609 A C 2.110 179.680 177.584 -0.024 0.000 1.157 3609 A CA 1.922 53.942 52.037 -0.028 0.000 0.670 3609 A CB -0.904 18.066 19.000 -0.050 0.000 0.804 3609 A HN 0.768 nan 8.150 nan 0.000 0.453 3610 T N -3.622 110.927 114.554 -0.009 0.000 3.163 3610 T HA 0.378 4.730 4.350 0.003 0.000 0.252 3610 T C 0.229 174.941 174.700 0.020 0.000 1.056 3610 T CA 0.502 62.608 62.100 0.010 0.000 0.947 3610 T CB -0.257 68.632 68.868 0.035 0.000 1.016 3610 T HN 0.339 nan 8.240 nan 0.000 0.554 3611 S N -0.308 115.398 115.700 0.009 0.000 2.626 3611 S HA 0.363 4.835 4.470 0.003 0.000 0.275 3611 S C 0.331 174.934 174.600 0.004 0.000 1.175 3611 S CA -0.856 57.350 58.200 0.010 0.000 0.982 3611 S CB 1.328 64.534 63.200 0.009 0.000 1.093 3611 S HN 0.307 nan 8.310 nan 0.000 0.472 3612 K N 2.056 122.459 120.400 0.006 0.000 2.155 3612 K HA -0.014 4.308 4.320 0.003 0.000 0.203 3612 K C 1.684 178.285 176.600 0.001 0.000 1.052 3612 K CA 1.498 57.786 56.287 0.003 0.000 0.948 3612 K CB -0.238 32.265 32.500 0.005 0.000 0.728 3612 K HN 0.579 nan 8.250 nan 0.000 0.448 3613 T N 1.808 116.363 114.554 0.002 0.000 2.777 3613 T HA -0.056 4.296 4.350 0.003 0.000 0.266 3613 T C 1.877 176.575 174.700 -0.004 0.000 1.040 3613 T CA 1.010 63.109 62.100 -0.001 0.000 1.141 3613 T CB -0.148 68.719 68.868 -0.001 0.000 0.868 3613 T HN 0.130 nan 8.240 nan 0.000 0.444 3614 I N 1.028 121.594 120.570 -0.005 0.000 2.226 3614 I HA -0.208 3.964 4.170 0.003 0.000 0.245 3614 I C 2.732 178.845 176.117 -0.007 0.000 1.100 3614 I CA 1.331 62.627 61.300 -0.008 0.000 1.374 3614 I CB -0.441 37.554 38.000 -0.008 0.000 1.057 3614 I HN 0.286 nan 8.210 nan 0.000 0.413 3615 Q N 0.441 120.237 119.800 -0.005 0.000 2.181 3615 Q HA -0.190 4.152 4.340 0.003 0.000 0.205 3615 Q C 2.167 178.164 176.000 -0.005 0.000 0.980 3615 Q CA 1.392 57.191 55.803 -0.006 0.000 0.862 3615 Q CB -0.096 28.639 28.738 -0.006 0.000 0.905 3615 Q HN 0.489 nan 8.270 nan 0.000 0.429 3616 R N -0.459 120.038 120.500 -0.004 0.000 2.254 3616 R HA 0.073 4.415 4.340 0.003 0.000 0.195 3616 R C 0.096 176.394 176.300 -0.005 0.000 0.957 3616 R CA 0.554 56.652 56.100 -0.004 0.000 1.024 3616 R CB 0.738 31.036 30.300 -0.003 0.000 0.952 3616 R HN -0.028 nan 8.270 nan 0.000 0.484 3617 T N 1.727 116.277 114.554 -0.006 0.000 3.053 3617 T HA 0.207 4.559 4.350 0.003 0.000 0.363 3617 T C -2.246 172.450 174.700 -0.007 0.000 1.239 3617 T CA -1.561 60.535 62.100 -0.007 0.000 1.071 3617 T CB 1.856 70.719 68.868 -0.008 0.000 1.089 3617 T HN -0.146 nan 8.240 nan 0.000 0.527 3618 P HA -0.117 nan 4.420 nan 0.000 0.216 3618 P C 1.436 178.732 177.300 -0.007 0.000 1.150 3618 P CA 0.844 63.940 63.100 -0.006 0.000 0.837 3618 P CB 0.414 32.111 31.700 -0.005 0.000 0.786 3619 E N -0.888 119.307 120.200 -0.008 0.000 2.150 3619 E HA -0.164 4.188 4.350 0.003 0.000 0.193 3619 E C 1.798 178.391 176.600 -0.012 0.000 0.985 3619 E CA 0.486 56.880 56.400 -0.009 0.000 0.814 3619 E CB -0.410 29.285 29.700 -0.008 0.000 0.752 3619 E HN 0.021 nan 8.360 nan 0.000 0.466 3620 L N 1.541 122.756 121.223 -0.014 0.000 2.044 3620 L HA -0.119 4.223 4.340 0.003 0.000 0.205 3620 L C 2.247 179.107 176.870 -0.017 0.000 1.075 3620 L CA 1.913 56.742 54.840 -0.018 0.000 0.747 3620 L CB -0.503 41.545 42.059 -0.019 0.000 0.903 3620 L HN -0.058 nan 8.230 nan 0.000 0.435 3621 K N -0.651 119.741 120.400 -0.013 0.000 2.063 3621 K HA -0.282 4.040 4.320 0.003 0.000 0.208 3621 K C 2.126 178.721 176.600 -0.008 0.000 1.048 3621 K CA 1.839 58.120 56.287 -0.010 0.000 0.928 3621 K CB -0.109 32.386 32.500 -0.007 0.000 0.713 3621 K HN 0.370 nan 8.250 nan 0.000 0.442 3622 E N 0.818 121.014 120.200 -0.007 0.000 2.072 3622 E HA -0.174 4.178 4.350 0.003 0.000 0.191 3622 E C 1.871 178.468 176.600 -0.005 0.000 0.985 3622 E CA 1.572 57.969 56.400 -0.004 0.000 0.801 3622 E CB 0.046 29.744 29.700 -0.004 0.000 0.750 3622 E HN 0.366 nan 8.360 nan 0.000 0.452 3623 Q N -0.450 119.345 119.800 -0.010 0.000 2.230 3623 Q HA -0.003 4.339 4.340 0.003 0.000 0.202 3623 Q C 2.271 178.262 176.000 -0.015 0.000 0.963 3623 Q CA 0.857 56.653 55.803 -0.011 0.000 0.866 3623 Q CB 0.047 28.775 28.738 -0.017 0.000 0.931 3623 Q HN 0.347 nan 8.270 nan 0.000 0.452 3624 L N 0.656 121.867 121.223 -0.020 0.000 2.056 3624 L HA -0.189 4.153 4.340 0.003 0.000 0.207 3624 L C 2.519 179.384 176.870 -0.009 0.000 1.078 3624 L CA 1.150 55.976 54.840 -0.024 0.000 0.749 3624 L CB -0.414 41.628 42.059 -0.027 0.000 0.901 3624 L HN 0.163 nan 8.230 nan 0.000 0.433 3625 K N -0.118 120.281 120.400 -0.001 0.000 2.063 3625 K HA -0.182 4.140 4.320 0.003 0.000 0.208 3625 K C 1.992 178.603 176.600 0.018 0.000 1.048 3625 K CA 1.896 58.189 56.287 0.010 0.000 0.928 3625 K CB -0.042 32.462 32.500 0.008 0.000 0.713 3625 K HN 0.186 nan 8.250 nan 0.000 0.442 3626 T N 0.619 115.180 114.554 0.012 0.000 2.708 3626 T HA -0.108 4.244 4.350 0.003 0.000 0.266 3626 T C 1.845 176.562 174.700 0.029 0.000 1.037 3626 T CA 1.316 63.427 62.100 0.018 0.000 1.146 3626 T CB -0.298 68.577 68.868 0.012 0.000 0.865 3626 T HN 0.434 nan 8.240 nan 0.000 0.435 3627 A N 0.997 123.830 122.820 0.021 0.000 1.933 3627 A HA -0.026 4.296 4.320 0.003 0.000 0.218 3627 A C 2.270 179.893 177.584 0.066 0.000 1.175 3627 A CA 1.208 53.262 52.037 0.028 0.000 0.628 3627 A CB -0.762 18.231 19.000 -0.011 0.000 0.814 3627 A HN 0.533 nan 8.150 nan 0.000 0.444 3628 I N -0.836 119.769 120.570 0.059 0.000 2.252 3628 I HA -0.240 3.932 4.170 0.003 0.000 0.245 3628 I C 2.565 178.769 176.117 0.144 0.000 1.102 3628 I CA 1.714 63.081 61.300 0.111 0.000 1.385 3628 I CB -0.298 37.744 38.000 0.071 0.000 1.064 3628 I HN 0.526 nan 8.210 nan 0.000 0.414 3629 E N 1.129 121.379 120.200 0.083 0.000 2.051 3629 E HA -0.273 4.079 4.350 0.003 0.000 0.192 3629 E C 1.689 178.323 176.600 0.057 0.000 0.991 3629 E CA 1.765 58.199 56.400 0.058 0.000 0.799 3629 E CB 0.076 29.796 29.700 0.034 0.000 0.748 3629 E HN 0.373 nan 8.360 nan 0.000 0.449 3630 D N -0.044 120.396 120.400 0.068 0.000 2.104 3630 D HA -0.190 4.452 4.640 0.003 0.000 0.194 3630 D C 1.623 177.976 176.300 0.087 0.000 0.994 3630 D CA 0.999 55.037 54.000 0.063 0.000 0.830 3630 D CB -0.477 40.362 40.800 0.065 0.000 0.959 3630 D HN 0.230 nan 8.370 nan 0.000 0.452 3631 F N 1.129 121.073 119.950 -0.009 0.000 2.102 3631 F HA -0.109 4.421 4.527 0.004 0.000 0.298 3631 F C 2.059 177.857 175.800 -0.004 0.000 1.105 3631 F CA 1.155 59.150 58.000 -0.008 0.000 1.239 3631 F CB -0.345 38.648 39.000 -0.012 0.000 0.991 3631 F HN -0.093 nan 8.300 nan 0.000 0.474 3632 L N -0.124 121.028 121.223 -0.118 0.000 2.046 3632 L HA -0.218 4.124 4.340 0.003 0.000 0.208 3632 L C 2.556 179.315 176.870 -0.185 0.000 1.077 3632 L CA 1.686 56.400 54.840 -0.211 0.000 0.747 3632 L CB -0.908 41.130 42.059 -0.034 0.000 0.896 3632 L HN 0.242 nan 8.230 nan 0.000 0.432 3633 Q N 0.622 120.363 119.800 -0.099 0.000 2.061 3633 Q HA -0.208 4.134 4.340 0.003 0.000 0.204 3633 Q C 1.898 177.839 176.000 -0.098 0.000 0.984 3633 Q CA 1.906 57.664 55.803 -0.075 0.000 0.846 3633 Q CB -0.009 28.708 28.738 -0.035 0.000 0.902 3633 Q HN 0.376 nan 8.270 nan 0.000 0.421 3634 N N -0.663 117.969 118.700 -0.114 0.000 2.409 3634 N HA -0.058 4.684 4.740 0.003 0.000 0.179 3634 N C 1.227 176.647 175.510 -0.150 0.000 1.032 3634 N CA 1.197 54.186 53.050 -0.101 0.000 0.898 3634 N CB 0.058 38.511 38.487 -0.056 0.000 0.971 3634 N HN 0.427 nan 8.380 nan 0.000 0.441 3635 S N -1.118 114.422 115.700 -0.268 0.000 2.524 3635 S HA 0.074 4.546 4.470 0.003 0.000 0.215 3635 S C 0.727 175.205 174.600 -0.204 0.000 0.986 3635 S CA -0.420 57.606 58.200 -0.289 0.000 0.911 3635 S CB 0.313 63.172 63.200 -0.569 0.000 0.805 3635 S HN 0.166 nan 8.310 nan 0.000 0.501 3636 Q N 1.435 121.135 119.800 -0.167 0.000 2.289 3636 Q HA 0.352 4.694 4.340 0.003 0.000 0.273 3636 Q C 0.926 176.876 176.000 -0.083 0.000 1.029 3636 Q CA 0.875 56.609 55.803 -0.115 0.000 0.896 3636 Q CB 0.124 28.808 28.738 -0.091 0.000 1.182 3636 Q HN 0.694 nan 8.270 nan 0.000 0.385 3637 G N 3.631 112.389 108.800 -0.070 0.000 2.258 3637 G HA2 -0.322 3.640 3.960 0.003 0.000 0.274 3637 G HA3 -0.322 3.640 3.960 0.003 0.000 0.274 3637 G C -0.142 174.729 174.900 -0.049 0.000 1.021 3637 G CA 1.072 46.141 45.100 -0.052 0.000 0.798 3637 G HN 0.568 nan 8.290 nan 0.000 0.507 3638 K N -0.366 119.999 120.400 -0.058 0.000 2.508 3638 K HA 0.567 4.889 4.320 0.003 0.000 0.260 3638 K C -2.700 173.873 176.600 -0.045 0.000 0.949 3638 K CA -2.209 54.049 56.287 -0.048 0.000 0.834 3638 K CB 2.083 34.551 32.500 -0.053 0.000 1.365 3638 K HN -0.067 nan 8.250 nan 0.000 0.437 3639 P HA 0.045 nan 4.420 nan 0.000 0.271 3639 P C -0.572 176.724 177.300 -0.008 0.000 1.216 3639 P CA -0.307 62.783 63.100 -0.016 0.000 0.771 3639 P CB 0.454 32.151 31.700 -0.005 0.000 0.864 3640 L N 2.762 123.988 121.223 0.005 0.000 2.485 3640 L HA 0.142 4.484 4.340 0.003 0.000 0.275 3640 L C 0.757 177.664 176.870 0.061 0.000 1.207 3640 L CA 0.723 55.589 54.840 0.043 0.000 0.855 3640 L CB 0.325 42.429 42.059 0.076 0.000 1.114 3640 L HN 0.568 nan 8.230 nan 0.000 0.485 3641 T N -0.166 114.439 114.554 0.085 0.000 2.916 3641 T HA 0.307 4.659 4.350 0.003 0.000 0.292 3641 T C 0.978 175.752 174.700 0.124 0.000 1.055 3641 T CA -0.917 61.236 62.100 0.088 0.000 1.009 3641 T CB 1.765 70.673 68.868 0.068 0.000 1.118 3641 T HN 0.215 nan 8.240 nan 0.000 0.497 3642 V N 1.365 121.352 119.914 0.122 0.000 2.392 3642 V HA -0.177 3.945 4.120 0.003 0.000 0.249 3642 V C 2.973 179.167 176.094 0.168 0.000 1.059 3642 V CA 2.428 64.823 62.300 0.158 0.000 1.051 3642 V CB -0.976 30.937 31.823 0.150 0.000 0.658 3642 V HN 1.036 nan 8.190 nan 0.000 0.455 3643 Q N -0.337 119.540 119.800 0.129 0.000 2.096 3643 Q HA -0.224 4.118 4.340 0.003 0.000 0.204 3643 Q C 2.127 178.192 176.000 0.108 0.000 0.982 3643 Q CA 2.133 58.002 55.803 0.110 0.000 0.850 3643 Q CB -0.283 28.502 28.738 0.077 0.000 0.901 3643 Q HN 0.609 nan 8.270 nan 0.000 0.422 3644 M N -0.555 119.124 119.600 0.131 0.000 2.117 3644 M HA -0.153 4.329 4.480 0.003 0.000 0.262 3644 M C 1.984 178.403 176.300 0.198 0.000 1.065 3644 M CA 1.397 56.809 55.300 0.187 0.000 1.114 3644 M CB -0.223 32.515 32.600 0.231 0.000 1.361 3644 M HN 0.292 nan 8.290 nan 0.000 0.408 3645 I N -0.242 120.426 120.570 0.164 0.000 2.315 3645 I HA -0.232 3.940 4.170 0.003 0.000 0.248 3645 I C 2.127 178.212 176.117 -0.052 0.000 1.117 3645 I CA 1.230 62.563 61.300 0.055 0.000 1.404 3645 I CB -0.465 37.625 38.000 0.149 0.000 1.071 3645 I HN 0.339 nan 8.210 nan 0.000 0.419 3646 E N 1.020 121.252 120.200 0.053 0.000 2.058 3646 E HA -0.220 4.132 4.350 0.003 0.000 0.194 3646 E C 1.875 178.405 176.600 -0.117 0.000 0.997 3646 E CA 1.295 57.675 56.400 -0.033 0.000 0.801 3646 E CB -0.155 29.610 29.700 0.108 0.000 0.746 3646 E HN 0.454 nan 8.360 nan 0.000 0.450 3647 N N 0.806 119.485 118.700 -0.036 0.000 2.223 3647 N HA -0.145 4.597 4.740 0.003 0.000 0.185 3647 N C 1.842 177.327 175.510 -0.041 0.000 1.016 3647 N CA 0.623 53.656 53.050 -0.028 0.000 0.863 3647 N CB -0.238 38.255 38.487 0.011 0.000 0.983 3647 N HN 0.100 nan 8.380 nan 0.000 0.429 3648 L N 1.710 122.875 121.223 -0.097 0.000 2.027 3648 L HA -0.042 4.300 4.340 0.003 0.000 0.206 3648 L C 1.862 178.564 176.870 -0.279 0.000 1.074 3648 L CA 1.635 56.357 54.840 -0.197 0.000 0.745 3648 L CB -0.997 40.809 42.059 -0.421 0.000 0.898 3648 L HN 0.187 nan 8.230 nan 0.000 0.433 3649 N N -1.169 117.269 118.700 -0.437 0.000 2.069 3649 N HA -0.321 4.421 4.740 0.003 0.000 0.191 3649 N C 2.107 177.395 175.510 -0.370 0.000 1.031 3649 N CA 1.694 54.384 53.050 -0.599 0.000 0.852 3649 N CB -0.374 37.309 38.487 -1.341 0.000 1.018 3649 N HN 0.625 nan 8.380 nan 0.000 0.423 3650 H N 0.058 118.921 119.070 -0.344 0.000 2.319 3650 H HA -0.086 4.472 4.556 0.003 0.000 0.299 3650 H C 1.848 177.085 175.328 -0.153 0.000 1.092 3650 H CA 2.001 57.924 56.048 -0.208 0.000 1.302 3650 H CB -0.468 29.207 29.762 -0.145 0.000 1.373 3650 H HN 0.398 nan 8.280 nan 0.000 0.497 3651 G N 0.490 109.290 108.800 0.000 0.000 2.443 3651 G HA2 -0.119 3.843 3.960 0.003 0.000 0.219 3651 G HA3 -0.119 3.843 3.960 0.003 0.000 0.219 3651 G C 1.758 176.601 174.900 -0.095 0.000 1.131 3651 G CA 0.291 45.381 45.100 -0.017 0.000 0.775 3651 G HN 0.380 nan 8.290 nan 0.000 0.547 3652 L N -0.406 120.728 121.223 -0.149 0.000 2.612 3652 L HA 0.273 4.615 4.340 0.003 0.000 0.230 3652 L C 1.410 178.187 176.870 -0.154 0.000 1.140 3652 L CA 0.044 54.795 54.840 -0.147 0.000 0.896 3652 L CB 0.289 42.242 42.059 -0.178 0.000 1.065 3652 L HN 0.074 nan 8.230 nan 0.000 0.447 3653 R N -0.007 120.380 120.500 -0.188 0.000 2.903 3653 R HA 0.158 4.500 4.340 0.003 0.000 0.363 3653 R C -1.638 174.558 176.300 -0.173 0.000 1.161 3653 R CA -0.972 55.018 56.100 -0.184 0.000 1.109 3653 R CB 0.317 30.483 30.300 -0.222 0.000 1.399 3653 R HN 0.025 nan 8.270 nan 0.000 0.587 3654 P HA -0.112 nan 4.420 nan 0.000 0.233 3654 P C -0.165 177.090 177.300 -0.076 0.000 1.167 3654 P CA 1.015 64.055 63.100 -0.099 0.000 0.770 3654 P CB 0.280 31.940 31.700 -0.066 0.000 0.837 3655 D N -0.917 119.439 120.400 -0.072 0.000 2.319 3655 D HA 0.028 4.670 4.640 0.003 0.000 0.230 3655 D C 0.240 176.509 176.300 -0.052 0.000 1.094 3655 D CA 0.063 54.032 54.000 -0.052 0.000 0.856 3655 D CB -0.250 40.525 40.800 -0.042 0.000 0.915 3655 D HN 0.246 nan 8.370 nan 0.000 0.517 3656 E N -0.243 119.914 120.200 -0.072 0.000 2.277 3656 E HA 0.567 4.919 4.350 0.003 0.000 0.266 3656 E C 0.257 176.819 176.600 -0.063 0.000 0.901 3656 E CA -1.207 55.154 56.400 -0.064 0.000 0.782 3656 E CB 1.807 31.459 29.700 -0.079 0.000 1.228 3656 E HN 0.127 nan 8.360 nan 0.000 0.424 3657 G N 1.239 110.015 108.800 -0.041 0.000 2.594 3657 G HA2 0.016 3.978 3.960 0.003 0.000 0.243 3657 G HA3 0.016 3.978 3.960 0.003 0.000 0.243 3657 G C 0.069 174.949 174.900 -0.034 0.000 1.229 3657 G CA -0.353 44.730 45.100 -0.029 0.000 0.843 3657 G HN 0.335 nan 8.290 nan 0.000 0.578 3658 E N -0.552 119.639 120.200 -0.015 0.000 2.409 3658 E HA 0.340 4.692 4.350 0.003 0.000 0.257 3658 E C 1.310 177.923 176.600 0.021 0.000 1.150 3658 E CA 0.987 57.392 56.400 0.009 0.000 0.942 3658 E CB 0.961 30.682 29.700 0.035 0.000 0.979 3658 E HN 1.043 nan 8.360 nan 0.000 0.447 3659 G N 1.568 110.396 108.800 0.047 0.000 2.159 3659 G HA2 -0.323 3.639 3.960 0.003 0.000 0.256 3659 G HA3 -0.323 3.639 3.960 0.003 0.000 0.256 3659 G C 0.341 175.263 174.900 0.037 0.000 0.977 3659 G CA 0.749 45.876 45.100 0.044 0.000 0.652 3659 G HN 0.542 nan 8.290 nan 0.000 0.531 3660 R N 0.086 120.599 120.500 0.023 0.000 2.738 3660 R HA 0.561 4.903 4.340 0.003 0.000 0.268 3660 R C 0.468 176.791 176.300 0.038 0.000 1.062 3660 R CA -0.660 55.446 56.100 0.011 0.000 1.158 3660 R CB 0.664 30.944 30.300 -0.033 0.000 1.046 3660 R HN 0.214 nan 8.270 nan 0.000 0.493 3661 L N 2.905 124.153 121.223 0.042 0.000 2.455 3661 L HA -0.032 4.310 4.340 0.003 0.000 0.272 3661 L C 1.401 178.317 176.870 0.076 0.000 1.174 3661 L CA -0.328 54.554 54.840 0.070 0.000 0.869 3661 L CB 0.542 42.645 42.059 0.075 0.000 1.130 3661 L HN 0.688 nan 8.230 nan 0.000 0.474 3662 L N 4.646 125.934 121.223 0.109 0.000 2.004 3662 L HA 0.040 4.382 4.340 0.003 0.000 0.205 3662 L C 0.287 177.233 176.870 0.127 0.000 1.089 3662 L CA 1.250 56.144 54.840 0.091 0.000 0.756 3662 L CB -0.269 41.844 42.059 0.091 0.000 0.900 3662 L HN 0.285 nan 8.230 nan 0.000 0.440 3663 Y N 1.203 121.615 120.300 0.187 0.000 2.304 3663 Y HA 0.226 4.778 4.550 0.003 0.000 0.327 3663 Y C 0.617 176.541 175.900 0.040 0.000 1.209 3663 Y CA -0.556 57.575 58.100 0.053 0.000 1.299 3663 Y CB 0.217 38.652 38.460 -0.042 0.000 1.249 3663 Y HN 0.197 nan 8.280 nan 0.000 0.519 3664 K N 2.091 122.594 120.400 0.171 0.000 2.319 3664 K HA 0.138 4.460 4.320 0.003 0.000 0.265 3664 K C 0.058 176.725 176.600 0.112 0.000 1.000 3664 K CA -0.523 55.839 56.287 0.125 0.000 0.943 3664 K CB 0.698 33.270 32.500 0.120 0.000 0.950 3664 K HN 0.819 nan 8.250 nan 0.000 0.485 3665 K N 0.299 120.751 120.400 0.088 0.000 2.367 3665 K HA 0.051 4.373 4.320 0.003 0.000 0.195 3665 K C -0.372 176.260 176.600 0.053 0.000 1.060 3665 K CA -0.061 56.264 56.287 0.062 0.000 1.022 3665 K CB 0.200 32.732 32.500 0.053 0.000 0.894 3665 K HN 0.838 nan 8.250 nan 0.000 0.540 3666 E N -0.269 119.973 120.200 0.070 0.000 2.447 3666 E HA 0.347 4.699 4.350 0.003 0.000 0.279 3666 E C -1.328 175.332 176.600 0.099 0.000 1.053 3666 E CA -1.147 55.294 56.400 0.068 0.000 0.840 3666 E CB 0.621 30.352 29.700 0.051 0.000 1.409 3666 E HN -0.149 nan 8.360 nan 0.000 0.461 3674 V N 1.746 121.338 119.914 -0.537 0.000 2.334 3674 V HA 0.701 4.823 4.120 0.003 0.000 0.281 3674 V C -1.283 174.591 176.094 -0.366 0.000 1.016 3674 V CA -0.467 61.605 62.300 -0.379 0.000 0.832 3674 V CB 0.020 31.744 31.823 -0.164 0.000 0.999 3674 V HN 0.657 nan 8.190 nan 0.000 0.439 3675 F N 3.115 123.049 119.950 -0.027 0.000 2.411 3675 F HA 0.557 5.087 4.527 0.006 0.000 0.324 3675 F C 1.209 177.062 175.800 0.088 0.000 1.086 3675 F CA -0.445 57.564 58.000 0.016 0.000 1.028 3675 F CB 1.054 40.026 39.000 -0.047 0.000 1.284 3675 F HN 0.383 nan 8.300 nan 0.000 0.501 3676 S N 0.102 116.031 115.700 0.381 0.000 2.576 3676 S HA 0.183 4.655 4.470 0.003 0.000 0.272 3676 S C 0.070 174.815 174.600 0.242 0.000 1.352 3676 S CA -0.685 57.688 58.200 0.289 0.000 1.021 3676 S CB 0.385 63.761 63.200 0.292 0.000 0.887 3676 S HN 0.710 nan 8.310 nan 0.000 0.542 3677 S N 2.043 117.879 115.700 0.226 0.000 2.589 3677 S HA 0.162 4.634 4.470 0.003 0.000 0.265 3677 S C -2.013 172.672 174.600 0.142 0.000 1.342 3677 S CA -0.941 57.367 58.200 0.180 0.000 1.005 3677 S CB -0.012 63.308 63.200 0.200 0.000 0.909 3677 S HN 0.353 nan 8.310 nan 0.000 0.555 3678 P HA -0.128 nan 4.420 nan 0.000 0.215 3678 P C 1.491 178.793 177.300 0.004 0.000 1.157 3678 P CA 1.518 64.647 63.100 0.049 0.000 0.874 3678 P CB 0.028 31.746 31.700 0.030 0.000 0.790 3679 E N -0.293 119.925 120.200 0.031 0.000 2.072 3679 E HA -0.096 4.256 4.350 0.003 0.000 0.190 3679 E C 1.974 178.591 176.600 0.029 0.000 0.982 3679 E CA 1.345 57.753 56.400 0.013 0.000 0.803 3679 E CB -1.166 28.570 29.700 0.059 0.000 0.755 3679 E HN 0.027 nan 8.360 nan 0.000 0.453 3680 A N 0.791 123.694 122.820 0.139 0.000 1.940 3680 A HA -0.091 4.231 4.320 0.003 0.000 0.219 3680 A C 2.409 179.919 177.584 -0.123 0.000 1.176 3680 A CA 2.068 54.095 52.037 -0.018 0.000 0.631 3680 A CB -0.954 18.065 19.000 0.031 0.000 0.814 3680 A HN 0.382 nan 8.150 nan 0.000 0.446 3681 A N -0.303 122.487 122.820 -0.051 0.000 1.930 3681 A HA -0.114 4.208 4.320 0.003 0.000 0.217 3681 A C 2.111 179.605 177.584 -0.149 0.000 1.175 3681 A CA 1.677 53.665 52.037 -0.082 0.000 0.627 3681 A CB -0.360 18.662 19.000 0.036 0.000 0.815 3681 A HN 0.544 nan 8.150 nan 0.000 0.443 3682 K N -0.341 119.963 120.400 -0.160 0.000 2.025 3682 K HA -0.039 4.283 4.320 0.003 0.000 0.207 3682 K C 1.817 178.316 176.600 -0.169 0.000 1.049 3682 K CA 1.515 57.672 56.287 -0.217 0.000 0.933 3682 K CB -0.395 31.890 32.500 -0.359 0.000 0.714 3682 K HN 0.506 nan 8.250 nan 0.000 0.438 3683 I N 1.465 121.934 120.570 -0.168 0.000 2.163 3683 I HA -0.332 3.840 4.170 0.003 0.000 0.243 3683 I C 2.261 178.272 176.117 -0.176 0.000 1.085 3683 I CA 1.563 62.771 61.300 -0.154 0.000 1.347 3683 I CB -0.234 37.668 38.000 -0.164 0.000 1.044 3683 I HN 0.244 nan 8.210 nan 0.000 0.408 3684 Q N -0.153 119.464 119.800 -0.305 0.000 2.389 3684 Q HA -0.090 4.252 4.340 0.003 0.000 0.204 3684 Q C 2.105 177.946 176.000 -0.266 0.000 0.944 3684 Q CA 0.507 56.047 55.803 -0.440 0.000 0.908 3684 Q CB 0.072 28.179 28.738 -1.052 0.000 1.002 3684 Q HN 0.403 nan 8.270 nan 0.000 0.493 3685 L N 0.793 121.928 121.223 -0.147 0.000 2.056 3685 L HA -0.084 4.258 4.340 0.003 0.000 0.207 3685 L C 2.157 179.067 176.870 0.067 0.000 1.078 3685 L CA 2.016 56.880 54.840 0.040 0.000 0.749 3685 L CB -0.685 41.402 42.059 0.047 0.000 0.901 3685 L HN 0.096 nan 8.230 nan 0.000 0.433 3686 A N -0.736 122.096 122.820 0.021 0.000 1.933 3686 A HA -0.217 4.105 4.320 0.003 0.000 0.218 3686 A C 2.158 179.775 177.584 0.055 0.000 1.175 3686 A CA 1.798 53.859 52.037 0.040 0.000 0.628 3686 A CB -0.643 18.361 19.000 0.008 0.000 0.814 3686 A HN 0.630 nan 8.150 nan 0.000 0.444 3687 E N -0.848 119.372 120.200 0.034 0.000 2.110 3687 E HA -0.120 4.232 4.350 0.003 0.000 0.193 3687 E C 1.971 178.661 176.600 0.150 0.000 0.988 3687 E CA 1.524 57.965 56.400 0.068 0.000 0.804 3687 E CB -0.278 29.440 29.700 0.030 0.000 0.745 3687 E HN 0.603 nan 8.360 nan 0.000 0.458 3688 T N 0.685 115.345 114.554 0.178 0.000 2.821 3688 T HA -0.096 4.256 4.350 0.003 0.000 0.267 3688 T C 2.082 176.930 174.700 0.246 0.000 1.046 3688 T CA 0.710 62.977 62.100 0.278 0.000 1.139 3688 T CB -0.084 68.961 68.868 0.296 0.000 0.871 3688 T HN -0.023 nan 8.240 nan 0.000 0.454 3689 V N 2.161 122.176 119.914 0.169 0.000 2.295 3689 V HA -0.176 3.946 4.120 0.003 0.000 0.246 3689 V C 2.352 178.510 176.094 0.106 0.000 1.049 3689 V CA 1.732 64.108 62.300 0.128 0.000 1.024 3689 V CB -0.559 31.332 31.823 0.113 0.000 0.648 3689 V HN 0.418 nan 8.190 nan 0.000 0.447 3690 D N -0.324 120.147 120.400 0.118 0.000 2.123 3690 D HA -0.201 4.441 4.640 0.003 0.000 0.196 3690 D C 1.885 178.269 176.300 0.139 0.000 0.992 3690 D CA 1.428 55.492 54.000 0.107 0.000 0.833 3690 D CB -0.401 40.461 40.800 0.103 0.000 0.954 3690 D HN 0.457 nan 8.370 nan 0.000 0.455 3691 F N 1.609 121.582 119.950 0.038 0.000 2.069 3691 F HA -0.155 4.375 4.527 0.004 0.000 0.298 3691 F C 2.171 177.983 175.800 0.019 0.000 1.113 3691 F CA 1.058 59.075 58.000 0.029 0.000 1.214 3691 F CB -0.629 38.392 39.000 0.036 0.000 0.978 3691 F HN -0.125 nan 8.300 nan 0.000 0.474 3692 I N 0.588 121.009 120.570 -0.250 0.000 2.163 3692 I HA -0.394 3.778 4.170 0.003 0.000 0.243 3692 I C 2.203 178.185 176.117 -0.224 0.000 1.085 3692 I CA 1.598 62.695 61.300 -0.338 0.000 1.347 3692 I CB -0.676 37.262 38.000 -0.103 0.000 1.044 3692 I HN 0.221 nan 8.210 nan 0.000 0.408 3693 N N 0.579 119.220 118.700 -0.098 0.000 2.106 3693 N HA -0.186 4.556 4.740 0.003 0.000 0.188 3693 N C 1.923 177.393 175.510 -0.067 0.000 1.029 3693 N CA 1.182 54.195 53.050 -0.061 0.000 0.848 3693 N CB -0.446 38.033 38.487 -0.014 0.000 1.007 3693 N HN 0.323 nan 8.380 nan 0.000 0.423 3694 R N 0.891 121.362 120.500 -0.049 0.000 2.096 3694 R HA -0.001 4.341 4.340 0.003 0.000 0.235 3694 R C 2.008 178.271 176.300 -0.060 0.000 1.127 3694 R CA 1.299 57.386 56.100 -0.021 0.000 0.968 3694 R CB -0.169 30.156 30.300 0.041 0.000 0.861 3694 R HN 0.169 nan 8.270 nan 0.000 0.440 3695 A N 1.195 123.914 122.820 -0.167 0.000 1.902 3695 A HA -0.218 4.104 4.320 0.003 0.000 0.217 3695 A C 2.080 179.581 177.584 -0.138 0.000 1.181 3695 A CA 1.706 53.620 52.037 -0.205 0.000 0.623 3695 A CB -0.475 18.229 19.000 -0.493 0.000 0.818 3695 A HN 0.396 nan 8.150 nan 0.000 0.443 3696 K N -0.457 119.862 120.400 -0.136 0.000 2.025 3696 K HA -0.165 4.157 4.320 0.003 0.000 0.207 3696 K C 1.586 178.154 176.600 -0.054 0.000 1.049 3696 K CA 1.490 57.725 56.287 -0.087 0.000 0.933 3696 K CB -0.199 32.253 32.500 -0.080 0.000 0.714 3696 K HN 0.403 nan 8.250 nan 0.000 0.438 3697 N N 1.259 119.932 118.700 -0.045 0.000 2.289 3697 N HA -0.138 4.604 4.740 0.003 0.000 0.184 3697 N C 0.555 176.055 175.510 -0.016 0.000 1.016 3697 N CA 1.142 54.178 53.050 -0.025 0.000 0.872 3697 N CB 0.079 38.557 38.487 -0.016 0.000 0.973 3697 N HN 0.414 nan 8.380 nan 0.000 0.433 3698 E N -0.641 119.548 120.200 -0.018 0.000 2.476 3698 E HA 0.199 4.551 4.350 0.003 0.000 0.196 3698 E C 0.386 176.982 176.600 -0.007 0.000 1.029 3698 E CA -0.140 56.258 56.400 -0.004 0.000 0.896 3698 E CB 0.339 30.044 29.700 0.010 0.000 1.012 3698 E HN 0.224 nan 8.360 nan 0.000 0.475 3699 G N 2.547 111.335 108.800 -0.021 0.000 2.323 3699 G HA2 -0.295 3.667 3.960 0.003 0.000 0.292 3699 G HA3 -0.295 3.667 3.960 0.003 0.000 0.292 3699 G C 0.162 175.051 174.900 -0.018 0.000 1.040 3699 G CA 0.107 45.195 45.100 -0.019 0.000 0.942 3699 G HN 0.260 nan 8.290 nan 0.000 0.506 3700 I N -0.000 120.549 120.570 -0.034 0.000 2.529 3700 I HA 0.173 4.345 4.170 0.003 0.000 0.284 3700 I C 1.042 177.131 176.117 -0.047 0.000 1.082 3700 I CA -0.681 60.597 61.300 -0.037 0.000 1.406 3700 I CB 0.931 38.905 38.000 -0.043 0.000 1.405 3700 I HN 0.264 nan 8.210 nan 0.000 0.548 3701 E N 9.548 129.726 120.200 -0.037 0.000 2.752 3701 E HA -0.084 4.268 4.350 0.003 0.000 0.241 3701 E C -1.955 174.627 176.600 -0.030 0.000 1.016 3701 E CA -0.823 55.567 56.400 -0.016 0.000 0.952 3701 E CB 0.566 30.248 29.700 -0.031 0.000 0.921 3701 E HN 0.262 nan 8.360 nan 0.000 0.515 3702 P HA -0.209 nan 4.420 nan 0.000 0.216 3702 P C 1.118 178.412 177.300 -0.011 0.000 1.150 3702 P CA 1.826 64.942 63.100 0.028 0.000 0.837 3702 P CB 0.027 31.807 31.700 0.133 0.000 0.786 3703 S N -1.363 114.322 115.700 -0.025 0.000 2.382 3703 S HA -0.114 4.358 4.470 0.003 0.000 0.228 3703 S C 1.952 176.405 174.600 -0.244 0.000 1.027 3703 S CA 1.437 59.510 58.200 -0.212 0.000 0.991 3703 S CB -1.663 61.261 63.200 -0.460 0.000 0.823 3703 S HN -0.023 nan 8.310 nan 0.000 0.469 3704 V N 1.614 121.395 119.914 -0.221 0.000 2.379 3704 V HA -0.070 4.052 4.120 0.003 0.000 0.245 3704 V C 2.675 178.586 176.094 -0.305 0.000 1.044 3704 V CA 1.323 63.445 62.300 -0.297 0.000 1.036 3704 V CB -0.769 30.872 31.823 -0.303 0.000 0.664 3704 V HN 0.438 nan 8.190 nan 0.000 0.453 3705 V N 1.285 121.075 119.914 -0.208 0.000 2.287 3705 V HA -0.233 3.889 4.120 0.003 0.000 0.248 3705 V C 2.676 178.668 176.094 -0.169 0.000 1.053 3705 V CA 2.358 64.570 62.300 -0.147 0.000 1.027 3705 V CB -1.505 30.169 31.823 -0.250 0.000 0.646 3705 V HN 0.608 nan 8.190 nan 0.000 0.447 3706 G N -0.516 108.133 108.800 -0.253 0.000 2.440 3706 G HA2 -0.233 3.729 3.960 0.003 0.000 0.218 3706 G HA3 -0.233 3.729 3.960 0.003 0.000 0.218 3706 G C 1.779 176.282 174.900 -0.663 0.000 1.154 3706 G CA 1.148 46.058 45.100 -0.317 0.000 0.767 3706 G HN 0.627 nan 8.290 nan 0.000 0.552 3707 A N 0.572 122.722 122.820 -1.117 0.000 1.877 3707 A HA 0.062 4.384 4.320 0.003 0.000 0.216 3707 A C 2.466 179.773 177.584 -0.462 0.000 1.186 3707 A CA 1.411 52.642 52.037 -1.344 0.000 0.620 3707 A CB -0.458 17.926 19.000 -1.027 0.000 0.822 3707 A HN 0.357 nan 8.150 nan 0.000 0.443 3708 L N -0.647 120.401 121.223 -0.291 0.000 2.046 3708 L HA -0.151 4.191 4.340 0.003 0.000 0.208 3708 L C 2.538 179.399 176.870 -0.015 0.000 1.077 3708 L CA 1.030 55.797 54.840 -0.122 0.000 0.747 3708 L CB -0.558 41.436 42.059 -0.108 0.000 0.896 3708 L HN 0.246 nan 8.230 nan 0.000 0.432 3709 V N -1.004 118.940 119.914 0.049 0.000 2.343 3709 V HA -0.337 3.785 4.120 0.003 0.000 0.247 3709 V C 2.230 178.361 176.094 0.063 0.000 1.051 3709 V CA 1.806 64.165 62.300 0.099 0.000 1.036 3709 V CB -0.647 31.238 31.823 0.102 0.000 0.654 3709 V HN 0.377 nan 8.190 nan 0.000 0.451 3710 Y N 0.792 121.040 120.300 -0.087 0.000 2.081 3710 Y HA -0.347 4.205 4.550 0.003 0.000 0.280 3710 Y C 2.828 178.750 175.900 0.037 0.000 1.163 3710 Y CA 2.523 60.618 58.100 -0.008 0.000 1.135 3710 Y CB -0.380 38.065 38.460 -0.025 0.000 0.970 3710 Y HN 0.263 nan 8.280 nan 0.000 0.498 3711 Q N 0.394 120.366 119.800 0.286 0.000 2.061 3711 Q HA -0.260 4.082 4.340 0.003 0.000 0.204 3711 Q C 2.395 178.365 176.000 -0.051 0.000 0.984 3711 Q CA 2.422 58.326 55.803 0.168 0.000 0.846 3711 Q CB -0.275 28.517 28.738 0.089 0.000 0.902 3711 Q HN 0.676 nan 8.270 nan 0.000 0.421 3712 R N -0.300 120.103 120.500 -0.163 0.000 2.119 3712 R HA -0.030 4.312 4.340 0.003 0.000 0.222 3712 R C 2.266 178.233 176.300 -0.554 0.000 1.088 3712 R CA 0.878 56.675 56.100 -0.504 0.000 0.984 3712 R CB -0.505 29.497 30.300 -0.496 0.000 0.884 3712 R HN 0.265 nan 8.270 nan 0.000 0.447 3713 L N 0.945 122.064 121.223 -0.174 0.000 2.093 3713 L HA -0.082 4.260 4.340 0.003 0.000 0.208 3713 L C 2.548 179.387 176.870 -0.051 0.000 1.085 3713 L CA 1.193 56.011 54.840 -0.036 0.000 0.755 3713 L CB -0.307 41.748 42.059 -0.006 0.000 0.904 3713 L HN 0.190 nan 8.230 nan 0.000 0.435 3714 I N -0.361 120.160 120.570 -0.082 0.000 2.315 3714 I HA -0.239 3.933 4.170 0.003 0.000 0.248 3714 I C 2.744 178.945 176.117 0.141 0.000 1.117 3714 I CA 1.023 62.330 61.300 0.011 0.000 1.404 3714 I CB -0.357 37.656 38.000 0.022 0.000 1.071 3714 I HN 0.195 nan 8.210 nan 0.000 0.419 3715 A N 0.415 123.257 122.820 0.037 0.000 1.898 3715 A HA -0.200 4.122 4.320 0.003 0.000 0.216 3715 A C 2.088 179.829 177.584 0.262 0.000 1.181 3715 A CA 1.396 53.505 52.037 0.121 0.000 0.620 3715 A CB -0.751 18.176 19.000 -0.122 0.000 0.819 3715 A HN 0.334 nan 8.150 nan 0.000 0.442 3716 Y N -1.831 118.570 120.300 0.168 0.000 2.163 3716 Y HA -0.065 4.487 4.550 0.002 0.000 0.288 3716 Y C 1.340 177.317 175.900 0.128 0.000 1.136 3716 Y CA 0.823 59.001 58.100 0.131 0.000 1.147 3716 Y CB -0.848 37.650 38.460 0.063 0.000 0.987 3716 Y HN 0.619 nan 8.280 nan 0.000 0.509 3717 H N -0.323 118.763 119.070 0.026 0.000 2.750 3717 H HA -0.084 4.475 4.556 0.005 0.000 0.327 3717 H C -2.165 173.087 175.328 -0.128 0.000 1.199 3717 H CA 0.263 56.179 56.048 -0.219 0.000 1.149 3717 H CB -0.378 28.936 29.762 -0.746 0.000 1.543 3717 H HN 0.233 nan 8.280 nan 0.000 0.427 3718 P HA -0.023 nan 4.420 nan 0.000 0.222 3718 P C 0.374 177.454 177.300 -0.366 0.000 1.153 3718 P CA 1.054 64.000 63.100 -0.257 0.000 0.798 3718 P CB 0.070 31.488 31.700 -0.470 0.000 0.796 3719 F N -1.106 118.751 119.950 -0.155 0.000 2.403 3719 F HA 0.509 5.038 4.527 0.004 0.000 0.326 3719 F C 1.893 177.595 175.800 -0.163 0.000 1.081 3719 F CA -0.833 57.045 58.000 -0.204 0.000 1.041 3719 F CB 0.008 38.832 39.000 -0.293 0.000 1.234 3719 F HN -0.225 nan 8.300 nan 0.000 0.503 3720 A N 0.045 122.929 122.820 0.106 0.000 1.969 3720 A HA 0.022 4.344 4.320 0.003 0.000 0.218 3720 A C 0.432 178.033 177.584 0.028 0.000 1.169 3720 A CA 1.645 53.722 52.037 0.067 0.000 0.635 3720 A CB -0.380 18.660 19.000 0.067 0.000 0.810 3720 A HN 0.715 nan 8.150 nan 0.000 0.445 3721 E N -5.013 115.179 120.200 -0.014 0.000 2.437 3721 E HA 0.471 4.823 4.350 0.003 0.000 0.280 3721 E C 0.122 176.654 176.600 -0.114 0.000 1.044 3721 E CA 0.274 56.642 56.400 -0.054 0.000 0.826 3721 E CB 1.138 30.813 29.700 -0.041 0.000 1.358 3721 E HN 0.870 nan 8.360 nan 0.000 0.459 3722 G N 1.260 109.988 108.800 -0.119 0.000 2.160 3722 G HA2 -0.353 3.609 3.960 0.003 0.000 0.251 3722 G HA3 -0.353 3.609 3.960 0.003 0.000 0.251 3722 G C 0.495 175.289 174.900 -0.177 0.000 1.008 3722 G CA 0.940 45.949 45.100 -0.151 0.000 0.724 3722 G HN 0.515 nan 8.290 nan 0.000 0.514 3723 N N 0.063 118.644 118.700 -0.198 0.000 2.106 3723 N HA 0.069 4.811 4.740 0.003 0.000 0.188 3723 N C 2.523 177.946 175.510 -0.146 0.000 1.029 3723 N CA 1.617 54.541 53.050 -0.210 0.000 0.848 3723 N CB -0.318 37.856 38.487 -0.522 0.000 1.007 3723 N HN 0.461 nan 8.380 nan 0.000 0.423 3724 G N 1.077 109.816 108.800 -0.102 0.000 2.446 3724 G HA2 -0.260 3.702 3.960 0.003 0.000 0.217 3724 G HA3 -0.260 3.702 3.960 0.003 0.000 0.217 3724 G C 1.524 176.382 174.900 -0.069 0.000 1.168 3724 G CA 0.595 45.656 45.100 -0.064 0.000 0.771 3724 G HN 0.207 nan 8.290 nan 0.000 0.551 3725 R N -0.621 119.835 120.500 -0.074 0.000 2.080 3725 R HA -0.029 4.312 4.340 0.003 0.000 0.236 3725 R C 2.597 178.827 176.300 -0.116 0.000 1.137 3725 R CA 1.590 57.642 56.100 -0.079 0.000 0.943 3725 R CB -0.454 29.789 30.300 -0.095 0.000 0.846 3725 R HN 0.372 nan 8.270 nan 0.000 0.431 3726 M N 0.744 120.245 119.600 -0.165 0.000 2.086 3726 M HA -0.118 4.364 4.480 0.003 0.000 0.261 3726 M C 2.154 178.358 176.300 -0.159 0.000 1.067 3726 M CA 2.168 57.340 55.300 -0.213 0.000 1.116 3726 M CB -0.416 32.027 32.600 -0.262 0.000 1.348 3726 M HN 0.187 nan 8.290 nan 0.000 0.407 3727 A N 0.899 123.644 122.820 -0.125 0.000 1.908 3727 A HA -0.199 4.123 4.320 0.003 0.000 0.218 3727 A C 2.167 179.712 177.584 -0.065 0.000 1.181 3727 A CA 1.885 53.849 52.037 -0.122 0.000 0.627 3727 A CB -0.701 18.160 19.000 -0.231 0.000 0.818 3727 A HN 0.651 nan 8.150 nan 0.000 0.445 3728 R N -0.841 119.641 120.500 -0.030 0.000 2.092 3728 R HA -0.054 4.288 4.340 0.003 0.000 0.231 3728 R C 2.008 178.370 176.300 0.102 0.000 1.119 3728 R CA 1.350 57.522 56.100 0.121 0.000 0.970 3728 R CB -0.467 29.922 30.300 0.147 0.000 0.864 3728 R HN 0.399 nan 8.270 nan 0.000 0.440 3729 V N 1.184 121.100 119.914 0.003 0.000 2.358 3729 V HA -0.213 3.909 4.120 0.003 0.000 0.246 3729 V C 2.195 178.308 176.094 0.032 0.000 1.047 3729 V CA 1.644 63.937 62.300 -0.012 0.000 1.035 3729 V CB -0.323 31.411 31.823 -0.148 0.000 0.658 3729 V HN 0.252 nan 8.190 nan 0.000 0.452 3730 I N -0.382 120.163 120.570 -0.041 0.000 2.179 3730 I HA -0.204 3.968 4.170 0.003 0.000 0.242 3730 I C 2.390 178.589 176.117 0.137 0.000 1.088 3730 I CA 1.230 62.571 61.300 0.068 0.000 1.357 3730 I CB -0.428 37.581 38.000 0.015 0.000 1.051 3730 I HN 0.127 nan 8.210 nan 0.000 0.409 3731 V N 1.166 121.154 119.914 0.123 0.000 2.343 3731 V HA -0.272 3.850 4.120 0.003 0.000 0.247 3731 V C 2.100 178.301 176.094 0.177 0.000 1.051 3731 V CA 1.894 64.283 62.300 0.149 0.000 1.036 3731 V CB -0.785 31.177 31.823 0.233 0.000 0.654 3731 V HN 0.459 nan 8.190 nan 0.000 0.451 3732 N N 0.004 118.822 118.700 0.197 0.000 2.331 3732 N HA -0.132 4.610 4.740 0.003 0.000 0.180 3732 N C 1.828 177.438 175.510 0.167 0.000 1.019 3732 N CA 1.077 54.242 53.050 0.193 0.000 0.881 3732 N CB -0.265 38.329 38.487 0.178 0.000 0.972 3732 N HN 0.553 nan 8.380 nan 0.000 0.435 3733 K N 1.210 121.721 120.400 0.185 0.000 2.057 3733 K HA -0.038 4.284 4.320 0.003 0.000 0.207 3733 K C 1.931 178.598 176.600 0.111 0.000 1.049 3733 K CA 0.847 57.232 56.287 0.164 0.000 0.931 3733 K CB -0.104 32.545 32.500 0.248 0.000 0.714 3733 K HN 0.050 nan 8.250 nan 0.000 0.440 3734 I N 1.393 122.030 120.570 0.112 0.000 2.163 3734 I HA -0.325 3.847 4.170 0.003 0.000 0.243 3734 I C 2.336 178.518 176.117 0.109 0.000 1.085 3734 I CA 1.200 62.544 61.300 0.073 0.000 1.347 3734 I CB -0.247 37.777 38.000 0.040 0.000 1.044 3734 I HN 0.204 nan 8.210 nan 0.000 0.408 3735 L N 0.093 121.412 121.223 0.160 0.000 1.994 3735 L HA -0.217 4.125 4.340 0.003 0.000 0.208 3735 L C 2.537 179.534 176.870 0.211 0.000 1.071 3735 L CA 1.335 56.329 54.840 0.258 0.000 0.745 3735 L CB -0.576 41.644 42.059 0.267 0.000 0.892 3735 L HN 0.278 nan 8.230 nan 0.000 0.431 3736 L N -0.550 120.757 121.223 0.139 0.000 2.131 3736 L HA -0.202 4.140 4.340 0.003 0.000 0.210 3736 L C 1.979 178.865 176.870 0.027 0.000 1.092 3736 L CA 1.084 55.971 54.840 0.080 0.000 0.759 3736 L CB -0.859 41.243 42.059 0.072 0.000 0.903 3736 L HN 0.306 nan 8.230 nan 0.000 0.435 3737 D N 0.471 120.888 120.400 0.028 0.000 2.309 3737 D HA -0.092 4.550 4.640 0.003 0.000 0.212 3737 D C 1.925 178.203 176.300 -0.038 0.000 0.968 3737 D CA 1.170 55.165 54.000 -0.008 0.000 0.882 3737 D CB 0.245 41.041 40.800 -0.008 0.000 0.918 3737 D HN 0.295 nan 8.370 nan 0.000 0.503 3738 A N -0.966 121.829 122.820 -0.042 0.000 2.303 3738 A HA 0.504 4.826 4.320 0.003 0.000 0.217 3738 A C 1.732 179.113 177.584 -0.338 0.000 1.205 3738 A CA 0.857 52.806 52.037 -0.146 0.000 0.875 3738 A CB 0.298 19.262 19.000 -0.061 0.000 0.910 3738 A HN 0.197 nan 8.150 nan 0.000 0.501 3739 G N -2.162 106.499 108.800 -0.231 0.000 2.176 3739 G HA2 -0.237 3.725 3.960 0.003 0.000 0.232 3739 G HA3 -0.237 3.725 3.960 0.003 0.000 0.232 3739 G C -0.085 174.679 174.900 -0.227 0.000 0.986 3739 G CA 0.106 45.065 45.100 -0.235 0.000 0.643 3739 G HN 0.343 nan 8.290 nan 0.000 0.522 3740 Y N 1.798 122.110 120.300 0.021 0.000 2.301 3740 Y HA 0.504 5.056 4.550 0.004 0.000 0.328 3740 Y C -1.205 174.713 175.900 0.030 0.000 1.242 3740 Y CA -2.051 56.066 58.100 0.028 0.000 1.323 3740 Y CB 0.492 38.981 38.460 0.048 0.000 1.266 3740 Y HN 0.014 nan 8.280 nan 0.000 0.527 3741 P HA 0.175 nan 4.420 nan 0.000 0.272 3741 P C -0.944 176.427 177.300 0.119 0.000 1.240 3741 P CA -0.409 62.758 63.100 0.110 0.000 0.791 3741 P CB 0.690 32.428 31.700 0.064 0.000 0.978 3742 A N 1.521 124.389 122.820 0.082 0.000 2.407 3742 A HA 0.276 4.598 4.320 0.003 0.000 0.248 3742 A C -0.308 177.320 177.584 0.074 0.000 1.082 3742 A CA -0.197 51.901 52.037 0.100 0.000 0.785 3742 A CB -0.609 18.434 19.000 0.072 0.000 1.020 3742 A HN 0.517 nan 8.150 nan 0.000 0.489 3743 F N 2.087 122.010 119.950 -0.045 0.000 2.396 3743 F HA 0.398 4.926 4.527 0.003 0.000 0.343 3743 F C 1.549 177.286 175.800 -0.104 0.000 1.104 3743 F CA 0.659 58.551 58.000 -0.180 0.000 1.161 3743 F CB 1.451 40.307 39.000 -0.241 0.000 1.146 3743 F HN 0.777 nan 8.300 nan 0.000 0.522 3744 T N 1.644 115.785 114.554 -0.690 0.000 3.246 3744 T HA 0.257 4.609 4.350 0.003 0.000 0.231 3744 T C 0.205 174.699 174.700 -0.344 0.000 0.986 3744 T CA 0.070 61.941 62.100 -0.381 0.000 1.340 3744 T CB -0.029 68.635 68.868 -0.340 0.000 1.063 3744 T HN 0.541 nan 8.240 nan 0.000 0.427 3745 K N -0.763 119.249 120.400 -0.646 0.000 2.579 3745 K HA 0.483 4.805 4.320 0.003 0.000 0.284 3745 K C -1.561 174.796 176.600 -0.405 0.000 0.990 3745 K CA -0.884 55.261 56.287 -0.235 0.000 0.880 3745 K CB 1.552 34.076 32.500 0.040 0.000 1.488 3745 K HN 0.182 nan 8.250 nan 0.000 0.425 3746 F N 1.262 121.269 119.950 0.094 0.000 2.435 3746 F HA 0.108 4.638 4.527 0.004 0.000 0.316 3746 F C 1.254 177.092 175.800 0.065 0.000 1.220 3746 F CA 0.306 58.379 58.000 0.121 0.000 1.241 3746 F CB 0.651 39.859 39.000 0.346 0.000 1.234 3746 F HN 0.550 nan 8.300 nan 0.000 0.569 3747 S N -0.050 115.821 115.700 0.286 0.000 2.560 3747 S HA -0.058 4.413 4.470 0.003 0.000 0.276 3747 S C 0.514 175.232 174.600 0.197 0.000 1.350 3747 S CA -0.484 57.818 58.200 0.169 0.000 1.024 3747 S CB 0.391 63.675 63.200 0.140 0.000 0.864 3747 S HN 0.563 nan 8.310 nan 0.000 0.536 3748 D N 0.885 121.359 120.400 0.123 0.000 2.265 3748 D HA -0.086 4.556 4.640 0.003 0.000 0.208 3748 D C 1.454 177.822 176.300 0.115 0.000 0.977 3748 D CA 1.535 55.600 54.000 0.109 0.000 0.871 3748 D CB -0.069 40.772 40.800 0.069 0.000 0.925 3748 D HN 0.851 nan 8.370 nan 0.000 0.485 3749 E N -0.926 119.354 120.200 0.134 0.000 2.693 3749 E HA 0.024 4.376 4.350 0.003 0.000 0.214 3749 E C 0.481 177.172 176.600 0.152 0.000 0.990 3749 E CA -0.308 56.157 56.400 0.110 0.000 1.047 3749 E CB -0.651 29.100 29.700 0.084 0.000 1.039 3749 E HN 0.341 nan 8.360 nan 0.000 0.475 3750 F N 1.158 121.132 119.950 0.039 0.000 2.740 3750 F HA 0.271 4.802 4.527 0.005 0.000 0.304 3750 F C 1.888 177.649 175.800 -0.065 0.000 1.098 3750 F CA 0.187 58.176 58.000 -0.018 0.000 1.258 3750 F CB 0.843 39.837 39.000 -0.010 0.000 1.061 3750 F HN -0.039 nan 8.300 nan 0.000 0.598 3751 E N 1.673 121.966 120.200 0.156 0.000 2.086 3751 E HA -0.188 4.164 4.350 0.003 0.000 0.200 3751 E C -0.799 175.781 176.600 -0.033 0.000 1.012 3751 E CA 2.218 58.702 56.400 0.141 0.000 0.812 3751 E CB -1.310 28.550 29.700 0.268 0.000 0.743 3751 E HN 0.255 nan 8.360 nan 0.000 0.453 3752 P HA -0.113 nan 4.420 nan 0.000 0.222 3752 P C 0.668 177.850 177.300 -0.195 0.000 1.147 3752 P CA 1.261 64.309 63.100 -0.087 0.000 0.790 3752 P CB -0.003 31.659 31.700 -0.063 0.000 0.780 3753 Q N -0.553 119.022 119.800 -0.376 0.000 2.378 3753 Q HA -0.022 4.320 4.340 0.003 0.000 0.205 3753 Q C 2.038 177.770 176.000 -0.447 0.000 0.954 3753 Q CA 0.722 56.237 55.803 -0.480 0.000 0.901 3753 Q CB -0.474 27.788 28.738 -0.793 0.000 0.981 3753 Q HN 0.422 nan 8.270 nan 0.000 0.483 3754 I N -1.369 118.949 120.570 -0.420 0.000 3.111 3754 I HA 0.108 4.280 4.170 0.003 0.000 0.272 3754 I C 0.834 176.874 176.117 -0.128 0.000 1.268 3754 I CA 0.220 61.352 61.300 -0.280 0.000 1.467 3754 I CB 0.007 37.885 38.000 -0.205 0.000 1.087 3754 I HN -0.020 nan 8.210 nan 0.000 0.467 3755 I N -2.167 118.336 120.570 -0.111 0.000 2.892 3755 I HA 0.690 4.862 4.170 0.003 0.000 0.306 3755 I C -2.843 173.207 176.117 -0.111 0.000 1.078 3755 I CA -2.712 58.540 61.300 -0.079 0.000 1.032 3755 I CB 1.480 39.469 38.000 -0.019 0.000 1.229 3755 I HN -0.294 nan 8.210 nan 0.000 0.435 3756 P HA 0.063 nan 4.420 nan 0.000 0.265 3756 P C -1.298 175.919 177.300 -0.138 0.000 1.187 3756 P CA 0.151 63.188 63.100 -0.105 0.000 0.766 3756 P CB 0.341 31.992 31.700 -0.082 0.000 0.820 3757 Q N 1.252 120.979 119.800 -0.121 0.000 2.331 3757 Q HA 0.167 4.509 4.340 0.003 0.000 0.267 3757 Q C 1.331 177.269 176.000 -0.104 0.000 1.006 3757 Q CA -0.208 55.519 55.803 -0.127 0.000 0.818 3757 Q CB 1.359 30.031 28.738 -0.111 0.000 1.276 3757 Q HN 0.533 nan 8.270 nan 0.000 0.450 3758 T N -0.058 114.427 114.554 -0.114 0.000 2.685 3758 T HA -0.211 4.141 4.350 0.003 0.000 0.268 3758 T C 0.878 175.540 174.700 -0.063 0.000 1.034 3758 T CA 1.182 63.231 62.100 -0.085 0.000 1.149 3758 T CB 0.029 68.845 68.868 -0.086 0.000 0.860 3758 T HN 0.354 nan 8.240 nan 0.000 0.449 3759 K N 1.350 121.712 120.400 -0.064 0.000 2.451 3759 K HA 0.403 4.725 4.320 0.003 0.000 0.280 3759 K C 1.431 178.003 176.600 -0.045 0.000 1.020 3759 K CA 0.192 56.450 56.287 -0.049 0.000 1.008 3759 K CB 0.455 32.927 32.500 -0.048 0.000 0.917 3759 K HN 0.244 nan 8.250 nan 0.000 0.478 3760 A N 3.542 126.341 122.820 -0.035 0.000 1.841 3760 A HA -0.207 4.115 4.320 0.003 0.000 0.216 3760 A C 1.839 179.404 177.584 -0.032 0.000 1.199 3760 A CA 2.044 54.062 52.037 -0.031 0.000 0.621 3760 A CB -1.092 17.894 19.000 -0.023 0.000 0.835 3760 A HN 0.934 nan 8.150 nan 0.000 0.445 3761 S N -0.656 115.026 115.700 -0.029 0.000 2.499 3761 S HA -0.036 4.436 4.470 0.003 0.000 0.206 3761 S C 0.874 175.452 174.600 -0.036 0.000 1.165 3761 S CA 0.971 59.154 58.200 -0.028 0.000 1.503 3761 S CB -1.665 61.521 63.200 -0.022 0.000 1.004 3761 S HN 1.009 nan 8.310 nan 0.000 0.385 3762 T N 2.655 117.186 114.554 -0.038 0.000 1.015 3762 T HA -0.126 4.226 4.350 0.003 0.000 0.718 3762 T C -0.178 174.486 174.700 -0.061 0.000 0.983 3762 T CA 0.508 62.577 62.100 -0.051 0.000 3.802 3762 T CB -1.084 67.747 68.868 -0.062 0.000 2.145 3762 T HN 0.453 nan 8.240 nan 0.000 0.371 3763 K N 2.272 122.636 120.400 -0.059 0.000 2.473 3763 K HA 0.112 4.434 4.320 0.003 0.000 0.277 3763 K C 0.674 177.207 176.600 -0.111 0.000 1.052 3763 K CA 0.259 56.506 56.287 -0.068 0.000 1.114 3763 K CB 0.373 32.840 32.500 -0.054 0.000 0.869 3763 K HN 0.558 nan 8.250 nan 0.000 0.481 3764 S N 2.210 117.851 115.700 -0.098 0.000 2.429 3764 S HA 0.437 4.909 4.470 0.003 0.000 0.302 3764 S C -0.564 173.962 174.600 -0.124 0.000 1.115 3764 S CA -0.814 57.312 58.200 -0.124 0.000 1.095 3764 S CB 0.909 64.054 63.200 -0.092 0.000 0.987 3764 S HN 0.586 nan 8.310 nan 0.000 0.474 3765 A N 4.245 126.947 122.820 -0.196 0.000 2.328 3765 A HA 0.563 4.885 4.320 0.003 0.000 0.284 3765 A C 0.622 178.163 177.584 -0.071 0.000 1.160 3765 A CA -0.376 51.572 52.037 -0.147 0.000 0.818 3765 A CB 0.522 19.326 19.000 -0.327 0.000 1.087 3765 A HN 0.754 nan 8.150 nan 0.000 0.504 3766 T N 0.697 115.247 114.554 -0.006 0.000 2.788 3766 T HA 0.201 4.553 4.350 0.003 0.000 0.287 3766 T C 1.782 176.509 174.700 0.044 0.000 1.007 3766 T CA 0.477 62.582 62.100 0.008 0.000 1.005 3766 T CB 0.936 69.814 68.868 0.017 0.000 1.012 3766 T HN 0.827 nan 8.240 nan 0.000 0.530 3767 S N 0.977 116.709 115.700 0.052 0.000 2.359 3767 S HA -0.111 4.361 4.470 0.003 0.000 0.224 3767 S C 2.286 177.007 174.600 0.202 0.000 1.035 3767 S CA 2.235 60.502 58.200 0.112 0.000 1.018 3767 S CB -0.615 62.667 63.200 0.136 0.000 0.876 3767 S HN 0.713 nan 8.310 nan 0.000 0.448 3768 S N 1.073 116.888 115.700 0.192 0.000 2.368 3768 S HA -0.075 4.397 4.470 0.003 0.000 0.225 3768 S C 1.766 176.475 174.600 0.182 0.000 1.030 3768 S CA 1.277 59.616 58.200 0.232 0.000 0.999 3768 S CB -0.427 62.825 63.200 0.087 0.000 0.844 3768 S HN 0.628 nan 8.310 nan 0.000 0.459 3769 E N 0.557 120.845 120.200 0.147 0.000 2.110 3769 E HA -0.093 4.259 4.350 0.003 0.000 0.193 3769 E C 2.029 178.767 176.600 0.230 0.000 0.988 3769 E CA 1.014 57.515 56.400 0.168 0.000 0.804 3769 E CB -0.162 29.642 29.700 0.174 0.000 0.745 3769 E HN 0.267 nan 8.360 nan 0.000 0.458 3770 V N 0.639 120.693 119.914 0.233 0.000 2.358 3770 V HA -0.210 3.912 4.120 0.003 0.000 0.246 3770 V C 2.267 178.511 176.094 0.250 0.000 1.047 3770 V CA 1.173 63.629 62.300 0.260 0.000 1.035 3770 V CB -0.268 31.645 31.823 0.151 0.000 0.658 3770 V HN 0.136 nan 8.190 nan 0.000 0.452 3771 V N -0.331 119.679 119.914 0.160 0.000 2.295 3771 V HA -0.214 3.908 4.120 0.003 0.000 0.246 3771 V C 2.447 178.618 176.094 0.128 0.000 1.049 3771 V CA 1.854 64.206 62.300 0.087 0.000 1.024 3771 V CB -0.389 31.442 31.823 0.012 0.000 0.648 3771 V HN 0.393 nan 8.190 nan 0.000 0.447 3772 V N -0.020 119.966 119.914 0.120 0.000 2.287 3772 V HA -0.293 3.829 4.120 0.003 0.000 0.248 3772 V C 2.560 178.689 176.094 0.058 0.000 1.053 3772 V CA 2.422 64.770 62.300 0.079 0.000 1.027 3772 V CB -0.574 31.289 31.823 0.068 0.000 0.646 3772 V HN 0.607 nan 8.190 nan 0.000 0.447 3773 E N -0.234 119.989 120.200 0.038 0.000 2.106 3773 E HA -0.221 4.131 4.350 0.003 0.000 0.192 3773 E C 1.899 178.594 176.600 0.158 0.000 0.984 3773 E CA 1.423 57.787 56.400 -0.060 0.000 0.806 3773 E CB -0.422 28.944 29.700 -0.557 0.000 0.750 3773 E HN 0.546 nan 8.360 nan 0.000 0.458 3774 F N 0.432 120.488 119.950 0.177 0.000 2.095 3774 F HA -0.160 4.369 4.527 0.003 0.000 0.298 3774 F C 1.795 177.542 175.800 -0.089 0.000 1.104 3774 F CA 1.485 59.461 58.000 -0.039 0.000 1.232 3774 F CB -0.085 38.792 39.000 -0.204 0.000 0.987 3774 F HN 0.033 nan 8.300 nan 0.000 0.475 3775 L N 0.003 121.327 121.223 0.169 0.000 2.046 3775 L HA -0.232 4.110 4.340 0.003 0.000 0.208 3775 L C 2.415 179.264 176.870 -0.034 0.000 1.077 3775 L CA 1.509 56.375 54.840 0.044 0.000 0.747 3775 L CB -0.705 41.370 42.059 0.027 0.000 0.896 3775 L HN 0.076 nan 8.230 nan 0.000 0.432 3776 K N -0.296 120.089 120.400 -0.026 0.000 2.026 3776 K HA -0.169 4.153 4.320 0.003 0.000 0.208 3776 K C 2.106 178.655 176.600 -0.085 0.000 1.048 3776 K CA 1.148 57.405 56.287 -0.050 0.000 0.929 3776 K CB -0.088 32.382 32.500 -0.050 0.000 0.713 3776 K HN 0.205 nan 8.250 nan 0.000 0.439 3777 E N 0.850 120.983 120.200 -0.111 0.000 2.110 3777 E HA -0.188 4.164 4.350 0.003 0.000 0.193 3777 E C 2.025 178.500 176.600 -0.208 0.000 0.988 3777 E CA 0.867 57.162 56.400 -0.176 0.000 0.804 3777 E CB -0.124 29.441 29.700 -0.225 0.000 0.745 3777 E HN 0.129 nan 8.360 nan 0.000 0.458 3778 L N 0.660 121.766 121.223 -0.195 0.000 2.109 3778 L HA -0.009 4.333 4.340 0.003 0.000 0.207 3778 L C 2.148 178.953 176.870 -0.108 0.000 1.086 3778 L CA 1.677 56.416 54.840 -0.168 0.000 0.760 3778 L CB -0.637 41.308 42.059 -0.189 0.000 0.910 3778 L HN 0.007 nan 8.230 nan 0.000 0.437 3779 A N -1.086 121.681 122.820 -0.088 0.000 2.121 3779 A HA -0.172 4.150 4.320 0.003 0.000 0.218 3779 A C 2.101 179.655 177.584 -0.051 0.000 1.154 3779 A CA 1.354 53.361 52.037 -0.051 0.000 0.679 3779 A CB -0.488 18.489 19.000 -0.038 0.000 0.795 3779 A HN 0.495 nan 8.150 nan 0.000 0.458 3780 K N -0.485 119.869 120.400 -0.077 0.000 2.444 3780 K HA 0.065 4.387 4.320 0.003 0.000 0.193 3780 K C 1.406 177.960 176.600 -0.077 0.000 1.024 3780 K CA 0.093 56.335 56.287 -0.074 0.000 1.077 3780 K CB 0.191 32.636 32.500 -0.092 0.000 0.833 3780 K HN 0.105 nan 8.250 nan 0.000 0.517 3781 K N 0.652 121.004 120.400 -0.081 0.000 2.057 3781 K HA -0.078 4.244 4.320 0.003 0.000 0.207 3781 K C 2.104 178.676 176.600 -0.046 0.000 1.049 3781 K CA 1.464 57.706 56.287 -0.075 0.000 0.931 3781 K CB -0.655 31.807 32.500 -0.063 0.000 0.714 3781 K HN 0.309 nan 8.250 nan 0.000 0.440 3782 G N 1.554 110.338 108.800 -0.028 0.000 2.511 3782 G HA2 -0.216 3.746 3.960 0.003 0.000 0.216 3782 G HA3 -0.216 3.746 3.960 0.003 0.000 0.216 3782 G C 0.594 175.480 174.900 -0.023 0.000 1.218 3782 G CA 0.925 46.015 45.100 -0.017 0.000 0.788 3782 G HN 0.345 nan 8.290 nan 0.000 0.560 3783 S N 0.000 115.684 115.700 -0.026 0.000 2.498 3783 S HA 0.000 4.472 4.470 0.003 0.000 0.327 3783 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 3783 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 3783 S HN 0.000 nan 8.310 nan 0.000 0.517