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 3n3v_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 LTKENAVFSS PEAAKIQLAE DATA SEQUENCE TVDFINRAKN EGIEPSVVGA LVYQRLIAYA PFAEGNGRMA RVIVNKILLD DATA SEQUENCE AGYPAFTKFS DEFEPQIIPQ TKASTKSATS SEVVVEFLKE LAKKGSKED 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 0.000 175.758 176.094 -0.561 0.000 1.182 3488 V CA 0.000 62.083 62.300 -0.361 0.000 1.235 3488 V CB 0.000 31.613 31.823 -0.351 0.000 1.184 3489 N N 2.497 120.871 118.700 -0.544 0.000 2.392 3489 N HA 0.691 5.432 4.740 0.002 0.000 0.283 3489 N C -0.262 174.909 175.510 -0.565 0.000 1.003 3489 N CA -0.678 52.097 53.050 -0.458 0.000 0.892 3489 N CB 1.490 39.845 38.487 -0.220 0.000 1.193 3489 N HN 0.696 nan 8.380 nan 0.000 0.487 3490 Y N 0.799 121.003 120.300 -0.160 0.000 2.467 3490 Y HA 0.243 4.795 4.550 0.002 0.000 0.250 3490 Y C 1.887 177.629 175.900 -0.264 0.000 1.155 3490 Y CA -0.303 57.597 58.100 -0.333 0.000 1.249 3490 Y CB 0.218 38.422 38.460 -0.428 0.000 1.146 3490 Y HN 0.582 nan 8.280 nan 0.000 0.524 3491 Q N 0.736 120.520 119.800 -0.027 0.000 2.197 3491 Q HA -0.198 4.143 4.340 0.002 0.000 0.207 3491 Q C 0.389 176.372 176.000 -0.028 0.000 0.984 3491 Q CA 1.584 57.383 55.803 -0.007 0.000 0.869 3491 Q CB -0.003 28.733 28.738 -0.005 0.000 0.906 3491 Q HN 0.564 nan 8.270 nan 0.000 0.426 3492 D N -0.325 120.038 120.400 -0.062 0.000 2.388 3492 D HA 0.145 4.786 4.640 0.002 0.000 0.221 3492 D C -0.186 176.080 176.300 -0.057 0.000 1.133 3492 D CA 0.123 54.094 54.000 -0.047 0.000 0.831 3492 D CB 0.448 41.221 40.800 -0.046 0.000 0.962 3492 D HN 0.188 nan 8.370 nan 0.000 0.502 3493 L N 0.822 121.983 121.223 -0.103 0.000 2.360 3493 L HA 0.290 4.631 4.340 0.002 0.000 0.271 3493 L C 0.627 177.504 176.870 0.013 0.000 1.057 3493 L CA -0.845 53.931 54.840 -0.108 0.000 0.803 3493 L CB 1.420 43.253 42.059 -0.377 0.000 1.207 3493 L HN -0.244 nan 8.230 nan 0.000 0.445 3494 E N 1.449 121.703 120.200 0.090 0.000 2.384 3494 E HA 0.124 4.475 4.350 0.002 0.000 0.266 3494 E C -1.206 175.552 176.600 0.265 0.000 1.012 3494 E CA 0.278 56.761 56.400 0.139 0.000 0.901 3494 E CB 0.645 30.414 29.700 0.115 0.000 0.967 3494 E HN 0.454 nan 8.360 nan 0.000 0.435 3495 D N 2.928 123.457 120.400 0.215 0.000 2.452 3495 D HA 0.124 4.765 4.640 0.002 0.000 0.226 3495 D C -1.094 175.282 176.300 0.126 0.000 1.366 3495 D CA -0.543 53.602 54.000 0.241 0.000 0.986 3495 D CB 0.322 41.345 40.800 0.372 0.000 1.420 3495 D HN 0.448 nan 8.370 nan 0.000 0.583 3496 N N 4.051 122.800 118.700 0.081 0.000 2.282 3496 N HA 0.093 4.834 4.740 0.002 0.000 0.240 3496 N C 0.022 175.549 175.510 0.027 0.000 1.182 3496 N CA -0.183 52.898 53.050 0.051 0.000 0.874 3496 N CB 0.129 38.643 38.487 0.046 0.000 1.126 3496 N HN 0.458 nan 8.380 nan 0.000 0.516 3497 L N -0.548 120.679 121.223 0.007 0.000 2.959 3497 L HA 0.260 4.601 4.340 0.002 0.000 0.259 3497 L C 0.374 177.227 176.870 -0.028 0.000 1.185 3497 L CA -0.381 54.444 54.840 -0.026 0.000 0.998 3497 L CB -0.349 41.661 42.059 -0.081 0.000 1.337 3497 L HN -0.036 nan 8.230 nan 0.000 0.555 3498 N N 1.120 119.826 118.700 0.009 0.000 2.701 3498 N HA -0.248 4.493 4.740 0.002 0.000 0.250 3498 N C 0.850 176.365 175.510 0.008 0.000 1.046 3498 N CA 0.388 53.453 53.050 0.025 0.000 0.733 3498 N CB -0.677 37.819 38.487 0.015 0.000 0.973 3498 N HN 0.220 nan 8.380 nan 0.000 0.541 3499 L N 0.371 121.577 121.223 -0.027 0.000 2.079 3499 L HA -0.094 4.247 4.340 0.002 0.000 0.210 3499 L C 2.060 178.968 176.870 0.063 0.000 1.081 3499 L CA 1.909 56.692 54.840 -0.095 0.000 0.752 3499 L CB -0.309 41.471 42.059 -0.465 0.000 0.896 3499 L HN 0.313 nan 8.230 nan 0.000 0.433 3500 K N -1.299 119.207 120.400 0.177 0.000 2.097 3500 K HA -0.094 4.227 4.320 0.002 0.000 0.206 3500 K C 2.028 178.698 176.600 0.117 0.000 1.049 3500 K CA 1.148 57.543 56.287 0.180 0.000 0.933 3500 K CB -0.644 31.975 32.500 0.198 0.000 0.717 3500 K HN 0.477 nan 8.250 nan 0.000 0.442 3501 G N 1.644 110.498 108.800 0.091 0.000 2.422 3501 G HA2 -0.238 3.723 3.960 0.002 0.000 0.218 3501 G HA3 -0.238 3.723 3.960 0.002 0.000 0.218 3501 G C 1.432 176.384 174.900 0.087 0.000 1.146 3501 G CA 0.476 45.622 45.100 0.077 0.000 0.769 3501 G HN 0.147 nan 8.290 nan 0.000 0.547 3502 L N 0.980 122.249 121.223 0.077 0.000 1.994 3502 L HA 0.042 4.383 4.340 0.002 0.000 0.208 3502 L C 2.680 179.635 176.870 0.142 0.000 1.071 3502 L CA 1.428 56.329 54.840 0.102 0.000 0.745 3502 L CB -0.598 41.465 42.059 0.007 0.000 0.892 3502 L HN 0.276 nan 8.230 nan 0.000 0.431 3503 I N -0.959 119.702 120.570 0.152 0.000 2.208 3503 I HA -0.325 3.846 4.170 0.002 0.000 0.245 3503 I C 2.695 178.889 176.117 0.130 0.000 1.097 3503 I CA 1.591 62.987 61.300 0.160 0.000 1.363 3503 I CB -0.609 37.417 38.000 0.044 0.000 1.051 3503 I HN 0.413 nan 8.210 nan 0.000 0.413 3504 S N 0.911 116.682 115.700 0.118 0.000 2.382 3504 S HA -0.171 4.300 4.470 0.002 0.000 0.228 3504 S C 2.008 176.667 174.600 0.098 0.000 1.027 3504 S CA 1.240 59.503 58.200 0.104 0.000 0.991 3504 S CB -0.196 63.060 63.200 0.095 0.000 0.823 3504 S HN 0.229 nan 8.310 nan 0.000 0.469 3505 L N 1.936 123.226 121.223 0.112 0.000 2.046 3505 L HA 0.053 4.394 4.340 0.002 0.000 0.208 3505 L C 2.642 179.566 176.870 0.089 0.000 1.077 3505 L CA 1.742 56.657 54.840 0.124 0.000 0.747 3505 L CB -0.874 41.303 42.059 0.198 0.000 0.896 3505 L HN 0.279 nan 8.230 nan 0.000 0.432 3506 E N -0.444 119.801 120.200 0.076 0.000 2.106 3506 E HA -0.187 4.164 4.350 0.002 0.000 0.192 3506 E C 1.817 178.441 176.600 0.040 0.000 0.984 3506 E CA 1.053 57.471 56.400 0.030 0.000 0.806 3506 E CB -0.147 29.594 29.700 0.067 0.000 0.750 3506 E HN 0.482 nan 8.360 nan 0.000 0.458 3507 D N 1.122 121.561 120.400 0.065 0.000 2.104 3507 D HA -0.151 4.490 4.640 0.002 0.000 0.194 3507 D C 1.508 177.840 176.300 0.052 0.000 0.994 3507 D CA 1.043 55.079 54.000 0.059 0.000 0.830 3507 D CB -0.252 40.592 40.800 0.074 0.000 0.959 3507 D HN 0.130 nan 8.370 nan 0.000 0.452 3508 D N -0.026 120.409 120.400 0.057 0.000 2.097 3508 D HA -0.127 4.514 4.640 0.002 0.000 0.195 3508 D C 2.042 178.374 176.300 0.053 0.000 0.989 3508 D CA 0.637 54.670 54.000 0.054 0.000 0.827 3508 D CB -0.225 40.610 40.800 0.058 0.000 0.966 3508 D HN 0.176 nan 8.370 nan 0.000 0.456 3509 R N 0.655 121.186 120.500 0.050 0.000 2.073 3509 R HA -0.161 4.181 4.340 0.002 0.000 0.234 3509 R C 1.961 178.307 176.300 0.077 0.000 1.134 3509 R CA 1.524 57.656 56.100 0.054 0.000 0.952 3509 R CB -0.214 30.103 30.300 0.027 0.000 0.850 3509 R HN 0.041 nan 8.270 nan 0.000 0.433 3510 N N 0.149 118.876 118.700 0.046 0.000 2.120 3510 N HA -0.149 4.592 4.740 0.002 0.000 0.188 3510 N C 1.601 177.165 175.510 0.090 0.000 1.024 3510 N CA 1.818 54.892 53.050 0.040 0.000 0.852 3510 N CB -0.179 38.302 38.487 -0.010 0.000 1.003 3510 N HN 0.355 nan 8.380 nan 0.000 0.424 3511 A N 0.334 123.195 122.820 0.068 0.000 1.908 3511 A HA -0.113 4.208 4.320 0.002 0.000 0.218 3511 A C 1.720 179.349 177.584 0.075 0.000 1.181 3511 A CA 1.507 53.583 52.037 0.064 0.000 0.627 3511 A CB -0.494 18.534 19.000 0.047 0.000 0.818 3511 A HN 0.449 nan 8.150 nan 0.000 0.445 3512 N N -1.395 117.350 118.700 0.075 0.000 2.322 3512 N HA 0.038 4.779 4.740 0.002 0.000 0.194 3512 N C 1.002 176.544 175.510 0.052 0.000 1.126 3512 N CA 0.227 53.306 53.050 0.048 0.000 0.845 3512 N CB -0.105 38.398 38.487 0.028 0.000 0.976 3512 N HN 0.564 nan 8.380 nan 0.000 0.475 3513 F N 2.515 122.440 119.950 -0.042 0.000 2.134 3513 F HA -0.156 4.372 4.527 0.002 0.000 0.299 3513 F C 2.395 178.146 175.800 -0.081 0.000 1.097 3513 F CA 1.480 59.440 58.000 -0.066 0.000 1.264 3513 F CB 0.007 38.972 39.000 -0.057 0.000 1.001 3513 F HN 0.040 nan 8.300 nan 0.000 0.479 3514 E N -0.675 119.471 120.200 -0.090 0.000 2.085 3514 E HA -0.247 4.104 4.350 0.002 0.000 0.194 3514 E C 2.343 178.808 176.600 -0.224 0.000 0.994 3514 E CA 1.468 57.756 56.400 -0.186 0.000 0.801 3514 E CB -0.416 29.278 29.700 -0.010 0.000 0.743 3514 E HN 0.406 nan 8.360 nan 0.000 0.453 3515 S N -0.147 115.469 115.700 -0.140 0.000 2.387 3515 S HA -0.067 4.404 4.470 0.002 0.000 0.226 3515 S C 1.705 176.211 174.600 -0.158 0.000 1.026 3515 S CA 1.092 59.223 58.200 -0.115 0.000 0.972 3515 S CB -0.196 62.968 63.200 -0.061 0.000 0.814 3515 S HN 0.295 nan 8.310 nan 0.000 0.477 3516 N N 0.418 119.002 118.700 -0.195 0.000 2.354 3516 N HA 0.070 4.811 4.740 0.002 0.000 0.179 3516 N C 1.429 176.752 175.510 -0.312 0.000 1.021 3516 N CA 1.045 53.975 53.050 -0.199 0.000 0.887 3516 N CB 0.088 38.490 38.487 -0.142 0.000 0.974 3516 N HN 0.332 nan 8.380 nan 0.000 0.437 3517 V N 0.182 119.774 119.914 -0.537 0.000 3.001 3517 V HA 0.129 4.250 4.120 0.002 0.000 0.228 3517 V C 2.157 177.819 176.094 -0.720 0.000 1.204 3517 V CA 0.093 61.953 62.300 -0.734 0.000 1.247 3517 V CB -0.296 30.855 31.823 -1.119 0.000 1.093 3517 V HN 0.008 nan 8.190 nan 0.000 0.504 3518 L N 0.163 120.953 121.223 -0.723 0.000 2.127 3518 L HA -0.149 4.192 4.340 0.002 0.000 0.211 3518 L C 2.062 178.872 176.870 -0.101 0.000 1.089 3518 L CA 1.758 56.377 54.840 -0.368 0.000 0.757 3518 L CB -0.471 41.430 42.059 -0.263 0.000 0.899 3518 L HN 0.330 nan 8.230 nan 0.000 0.434 3519 K N -0.754 119.565 120.400 -0.134 0.000 2.358 3519 K HA 0.071 4.392 4.320 0.002 0.000 0.197 3519 K C 0.504 177.083 176.600 -0.035 0.000 1.025 3519 K CA -0.273 55.983 56.287 -0.052 0.000 1.104 3519 K CB 0.148 32.612 32.500 -0.060 0.000 0.855 3519 K HN 0.174 nan 8.250 nan 0.000 0.531 3520 N N 2.222 120.893 118.700 -0.049 0.000 2.452 3520 N HA -0.067 4.674 4.740 0.002 0.000 0.266 3520 N C 0.495 176.031 175.510 0.043 0.000 1.209 3520 N CA 0.370 53.408 53.050 -0.021 0.000 0.929 3520 N CB 0.900 39.354 38.487 -0.056 0.000 1.063 3520 N HN 0.078 nan 8.380 nan 0.000 0.472 3521 E N 3.981 124.184 120.200 0.006 0.000 2.110 3521 E HA -0.174 4.177 4.350 0.002 0.000 0.193 3521 E C 1.224 177.819 176.600 -0.009 0.000 0.988 3521 E CA 1.265 57.662 56.400 -0.005 0.000 0.804 3521 E CB 0.124 29.811 29.700 -0.021 0.000 0.745 3521 E HN 0.653 nan 8.360 nan 0.000 0.458 3522 K N -0.051 120.348 120.400 -0.001 0.000 2.057 3522 K HA -0.144 4.177 4.320 0.002 0.000 0.207 3522 K C 2.077 178.681 176.600 0.006 0.000 1.049 3522 K CA 1.189 57.470 56.287 -0.011 0.000 0.931 3522 K CB -0.318 32.172 32.500 -0.017 0.000 0.714 3522 K HN 0.058 nan 8.250 nan 0.000 0.440 3523 F N 1.845 121.739 119.950 -0.093 0.000 2.102 3523 F HA -0.165 4.363 4.527 0.001 0.000 0.298 3523 F C 1.703 177.454 175.800 -0.082 0.000 1.105 3523 F CA 1.301 59.245 58.000 -0.093 0.000 1.239 3523 F CB -0.209 38.725 39.000 -0.111 0.000 0.991 3523 F HN -0.108 nan 8.300 nan 0.000 0.474 3524 L N -0.051 121.106 121.223 -0.111 0.000 2.017 3524 L HA -0.227 4.114 4.340 0.002 0.000 0.208 3524 L C 2.226 178.959 176.870 -0.228 0.000 1.073 3524 L CA 1.563 56.282 54.840 -0.203 0.000 0.745 3524 L CB -0.928 41.096 42.059 -0.059 0.000 0.894 3524 L HN 0.063 nan 8.230 nan 0.000 0.432 3525 D N -0.187 120.121 120.400 -0.154 0.000 2.123 3525 D HA -0.232 4.409 4.640 0.002 0.000 0.196 3525 D C 2.070 178.270 176.300 -0.168 0.000 0.992 3525 D CA 1.189 55.106 54.000 -0.138 0.000 0.833 3525 D CB -0.022 40.722 40.800 -0.093 0.000 0.954 3525 D HN 0.356 nan 8.370 nan 0.000 0.455 3526 E N 0.225 120.305 120.200 -0.200 0.000 2.077 3526 E HA -0.192 4.159 4.350 0.002 0.000 0.193 3526 E C 1.936 178.383 176.600 -0.256 0.000 0.989 3526 E CA 1.153 57.430 56.400 -0.205 0.000 0.800 3526 E CB -0.001 29.578 29.700 -0.202 0.000 0.746 3526 E HN 0.184 nan 8.360 nan 0.000 0.452 3527 A N 1.394 123.977 122.820 -0.395 0.000 1.873 3527 A HA -0.169 4.152 4.320 0.002 0.000 0.215 3527 A C 2.180 179.622 177.584 -0.237 0.000 1.186 3527 A CA 1.461 53.283 52.037 -0.358 0.000 0.616 3527 A CB -0.479 18.227 19.000 -0.490 0.000 0.823 3527 A HN 0.203 nan 8.150 nan 0.000 0.442 3528 R N -0.564 119.798 120.500 -0.230 0.000 2.096 3528 R HA -0.191 4.150 4.340 0.002 0.000 0.240 3528 R C 2.323 178.529 176.300 -0.156 0.000 1.139 3528 R CA 1.704 57.681 56.100 -0.204 0.000 0.952 3528 R CB -0.365 29.815 30.300 -0.200 0.000 0.854 3528 R HN 0.790 nan 8.270 nan 0.000 0.436 3529 E N 0.955 121.075 120.200 -0.133 0.000 2.072 3529 E HA -0.162 4.190 4.350 0.002 0.000 0.191 3529 E C 2.002 178.556 176.600 -0.078 0.000 0.985 3529 E CA 0.928 57.272 56.400 -0.093 0.000 0.801 3529 E CB 0.008 29.659 29.700 -0.081 0.000 0.750 3529 E HN 0.281 nan 8.360 nan 0.000 0.452 3530 I N 0.664 121.179 120.570 -0.092 0.000 2.163 3530 I HA -0.286 3.885 4.170 0.002 0.000 0.243 3530 I C 2.478 178.561 176.117 -0.058 0.000 1.085 3530 I CA 1.127 62.384 61.300 -0.070 0.000 1.347 3530 I CB -0.197 37.753 38.000 -0.083 0.000 1.044 3530 I HN 0.091 nan 8.210 nan 0.000 0.408 3531 S N 0.286 115.939 115.700 -0.077 0.000 2.383 3531 S HA -0.147 4.324 4.470 0.002 0.000 0.227 3531 S C 1.908 176.491 174.600 -0.028 0.000 1.026 3531 S CA 1.134 59.301 58.200 -0.056 0.000 0.981 3531 S CB -0.142 63.007 63.200 -0.085 0.000 0.818 3531 S HN 0.366 nan 8.310 nan 0.000 0.472 3532 K N 1.125 121.502 120.400 -0.038 0.000 2.288 3532 K HA 0.032 4.353 4.320 0.002 0.000 0.201 3532 K C 1.940 178.545 176.600 0.008 0.000 1.048 3532 K CA 0.627 56.914 56.287 0.001 0.000 0.956 3532 K CB -0.036 32.458 32.500 -0.011 0.000 0.746 3532 K HN 0.277 nan 8.250 nan 0.000 0.461 3533 K N 0.207 120.602 120.400 -0.007 0.000 2.113 3533 K HA -0.120 4.201 4.320 0.002 0.000 0.208 3533 K C 2.012 178.616 176.600 0.006 0.000 1.047 3533 K CA 1.367 57.652 56.287 -0.003 0.000 0.928 3533 K CB -0.069 32.426 32.500 -0.009 0.000 0.716 3533 K HN -0.045 nan 8.250 nan 0.000 0.446 3534 S N 0.429 116.135 115.700 0.010 0.000 2.501 3534 S HA 0.142 4.613 4.470 0.002 0.000 0.220 3534 S C 0.726 175.338 174.600 0.020 0.000 0.997 3534 S CA -0.071 58.137 58.200 0.013 0.000 0.919 3534 S CB 0.152 63.359 63.200 0.012 0.000 0.778 3534 S HN 0.133 nan 8.310 nan 0.000 0.523 3535 I N 3.457 124.046 120.570 0.031 0.000 2.471 3535 I HA 0.180 4.351 4.170 0.002 0.000 0.286 3535 I C -2.435 173.701 176.117 0.031 0.000 1.079 3535 I CA -2.201 59.124 61.300 0.042 0.000 1.398 3535 I CB 0.437 38.485 38.000 0.081 0.000 1.403 3535 I HN -0.070 nan 8.210 nan 0.000 0.530 3536 P HA 0.032 nan 4.420 nan 0.000 0.266 3536 P C 0.204 177.511 177.300 0.012 0.000 1.195 3536 P CA -0.065 63.042 63.100 0.012 0.000 0.768 3536 P CB 0.580 32.284 31.700 0.006 0.000 0.838 3537 E N 2.365 122.571 120.200 0.010 0.000 2.086 3537 E HA -0.264 4.088 4.350 0.002 0.000 0.200 3537 E C 1.981 178.581 176.600 -0.000 0.000 1.012 3537 E CA 2.301 58.706 56.400 0.008 0.000 0.812 3537 E CB -1.152 28.552 29.700 0.006 0.000 0.743 3537 E HN 0.529 nan 8.360 nan 0.000 0.453 3538 A N 0.327 123.144 122.820 -0.004 0.000 1.930 3538 A HA -0.156 4.165 4.320 0.002 0.000 0.217 3538 A C 2.361 179.929 177.584 -0.026 0.000 1.175 3538 A CA 1.916 53.947 52.037 -0.010 0.000 0.627 3538 A CB -0.917 18.079 19.000 -0.007 0.000 0.815 3538 A HN 0.293 nan 8.150 nan 0.000 0.443 3539 T N -0.318 114.219 114.554 -0.028 0.000 2.821 3539 T HA -0.097 4.254 4.350 0.002 0.000 0.267 3539 T C 1.871 176.507 174.700 -0.107 0.000 1.046 3539 T CA 1.430 63.498 62.100 -0.055 0.000 1.139 3539 T CB -0.396 68.453 68.868 -0.033 0.000 0.871 3539 T HN 0.148 nan 8.240 nan 0.000 0.454 3540 V N 1.316 121.197 119.914 -0.054 0.000 2.332 3540 V HA -0.177 3.944 4.120 0.002 0.000 0.248 3540 V C 2.598 178.606 176.094 -0.143 0.000 1.055 3540 V CA 1.567 63.841 62.300 -0.044 0.000 1.038 3540 V CB -0.460 31.408 31.823 0.075 0.000 0.651 3540 V HN 0.250 nan 8.190 nan 0.000 0.450 3541 K N 0.363 120.708 120.400 -0.092 0.000 2.097 3541 K HA -0.177 4.144 4.320 0.002 0.000 0.205 3541 K C 2.242 178.758 176.600 -0.140 0.000 1.050 3541 K CA 1.654 57.876 56.287 -0.109 0.000 0.938 3541 K CB -0.581 31.898 32.500 -0.035 0.000 0.718 3541 K HN 0.752 nan 8.250 nan 0.000 0.442 3542 Q N -0.624 119.121 119.800 -0.091 0.000 2.230 3542 Q HA -0.083 4.258 4.340 0.002 0.000 0.202 3542 Q C 1.398 177.318 176.000 -0.133 0.000 0.963 3542 Q CA 1.033 56.821 55.803 -0.025 0.000 0.866 3542 Q CB 0.037 28.754 28.738 -0.036 0.000 0.931 3542 Q HN 0.132 nan 8.270 nan 0.000 0.452 3543 M N 1.123 120.485 119.600 -0.397 0.000 2.447 3543 M HA -0.005 4.476 4.480 0.002 0.000 0.264 3543 M C 2.255 178.078 176.300 -0.796 0.000 1.095 3543 M CA 1.251 56.095 55.300 -0.759 0.000 1.125 3543 M CB -0.343 31.389 32.600 -1.447 0.000 1.389 3543 M HN 0.361 nan 8.290 nan 0.000 0.459 3544 S N -0.412 114.946 115.700 -0.571 0.000 2.469 3544 S HA -0.143 4.328 4.470 0.002 0.000 0.238 3544 S C 1.526 175.973 174.600 -0.255 0.000 0.998 3544 S CA 0.909 58.946 58.200 -0.272 0.000 0.957 3544 S CB -0.835 62.203 63.200 -0.271 0.000 0.764 3544 S HN 0.510 nan 8.310 nan 0.000 0.514 3545 H N 0.581 119.612 119.070 -0.065 0.000 2.551 3545 H HA 0.351 4.908 4.556 0.002 0.000 0.266 3545 H C 0.365 175.686 175.328 -0.012 0.000 0.964 3545 H CA 0.053 56.086 56.048 -0.026 0.000 1.180 3545 H CB -0.006 29.733 29.762 -0.038 0.000 1.408 3545 H HN 0.387 nan 8.280 nan 0.000 0.563 3546 L N 3.026 124.281 121.223 0.053 0.000 2.313 3546 L HA 0.092 4.433 4.340 0.002 0.000 0.282 3546 L C -1.187 175.744 176.870 0.101 0.000 1.092 3546 L CA -1.639 53.234 54.840 0.056 0.000 0.831 3546 L CB 1.172 43.234 42.059 0.005 0.000 1.159 3546 L HN -0.100 nan 8.230 nan 0.000 0.442 3547 P HA -0.187 nan 4.420 nan 0.000 0.218 3547 P C 0.477 177.828 177.300 0.086 0.000 1.146 3547 P CA 1.160 64.305 63.100 0.075 0.000 0.813 3547 P CB 0.275 32.005 31.700 0.051 0.000 0.778 3548 E N -2.657 117.603 120.200 0.099 0.000 2.479 3548 E HA 0.015 4.366 4.350 0.002 0.000 0.193 3548 E C 1.289 177.987 176.600 0.164 0.000 1.049 3548 E CA -0.152 56.307 56.400 0.099 0.000 0.870 3548 E CB -0.917 28.829 29.700 0.077 0.000 0.944 3548 E HN 0.133 nan 8.360 nan 0.000 0.492 3549 F N 2.284 122.231 119.950 -0.005 0.000 2.095 3549 F HA -0.220 4.308 4.527 0.002 0.000 0.298 3549 F C 1.679 177.468 175.800 -0.018 0.000 1.104 3549 F CA 1.678 59.670 58.000 -0.013 0.000 1.232 3549 F CB -0.546 38.440 39.000 -0.023 0.000 0.987 3549 F HN 0.024 nan 8.300 nan 0.000 0.475 3550 D N 0.047 120.400 120.400 -0.078 0.000 2.104 3550 D HA -0.197 4.444 4.640 0.002 0.000 0.194 3550 D C 1.825 178.045 176.300 -0.133 0.000 0.994 3550 D CA 1.786 55.665 54.000 -0.201 0.000 0.830 3550 D CB -0.273 40.461 40.800 -0.110 0.000 0.959 3550 D HN 0.228 nan 8.370 nan 0.000 0.452 3551 D N -0.418 119.957 120.400 -0.042 0.000 2.117 3551 D HA -0.108 4.533 4.640 0.002 0.000 0.197 3551 D C 2.219 178.511 176.300 -0.014 0.000 0.987 3551 D CA 0.505 54.494 54.000 -0.018 0.000 0.829 3551 D CB -0.267 40.540 40.800 0.012 0.000 0.961 3551 D HN 0.368 nan 8.370 nan 0.000 0.460 3552 I N 0.159 120.738 120.570 0.015 0.000 2.264 3552 I HA -0.251 3.920 4.170 0.002 0.000 0.248 3552 I C 2.055 178.159 176.117 -0.021 0.000 1.111 3552 I CA 0.485 61.808 61.300 0.038 0.000 1.382 3552 I CB -0.065 38.018 38.000 0.138 0.000 1.060 3552 I HN 0.018 nan 8.210 nan 0.000 0.418 3553 L N 0.396 121.544 121.223 -0.124 0.000 2.141 3553 L HA -0.162 4.179 4.340 0.002 0.000 0.209 3553 L C 2.561 179.346 176.870 -0.141 0.000 1.094 3553 L CA 2.360 57.084 54.840 -0.193 0.000 0.763 3553 L CB -0.988 40.838 42.059 -0.388 0.000 0.908 3553 L HN 0.446 nan 8.230 nan 0.000 0.437 3554 T N -5.051 109.435 114.554 -0.113 0.000 2.971 3554 T HA 0.024 4.375 4.350 0.002 0.000 0.252 3554 T C 1.472 176.157 174.700 -0.024 0.000 1.022 3554 T CA 0.336 62.379 62.100 -0.096 0.000 0.980 3554 T CB -0.045 68.766 68.868 -0.094 0.000 1.044 3554 T HN 0.475 nan 8.240 nan 0.000 0.501 3555 E N 1.983 122.179 120.200 -0.006 0.000 2.058 3555 E HA -0.054 4.297 4.350 0.002 0.000 0.194 3555 E C 2.400 179.023 176.600 0.040 0.000 0.997 3555 E CA 1.430 57.845 56.400 0.025 0.000 0.801 3555 E CB -1.210 28.503 29.700 0.023 0.000 0.746 3555 E HN 0.478 nan 8.360 nan 0.000 0.450 3556 G N 1.242 110.057 108.800 0.024 0.000 2.440 3556 G HA2 -0.260 3.701 3.960 0.002 0.000 0.218 3556 G HA3 -0.260 3.701 3.960 0.002 0.000 0.218 3556 G C 1.804 176.737 174.900 0.055 0.000 1.154 3556 G CA 1.279 46.399 45.100 0.032 0.000 0.767 3556 G HN 0.464 nan 8.290 nan 0.000 0.552 3557 A N 0.715 123.563 122.820 0.047 0.000 1.898 3557 A HA 0.039 4.360 4.320 0.002 0.000 0.216 3557 A C 2.311 180.050 177.584 0.258 0.000 1.181 3557 A CA 1.959 54.056 52.037 0.100 0.000 0.620 3557 A CB -0.320 18.651 19.000 -0.048 0.000 0.819 3557 A HN 0.384 nan 8.150 nan 0.000 0.442 3558 K N 0.062 120.606 120.400 0.240 0.000 2.057 3558 K HA -0.112 4.209 4.320 0.002 0.000 0.207 3558 K C 1.991 178.696 176.600 0.175 0.000 1.049 3558 K CA 1.563 58.002 56.287 0.255 0.000 0.931 3558 K CB -0.136 32.475 32.500 0.184 0.000 0.714 3558 K HN 0.412 nan 8.250 nan 0.000 0.440 3559 K N 0.502 120.977 120.400 0.125 0.000 2.097 3559 K HA -0.108 4.213 4.320 0.002 0.000 0.206 3559 K C 2.054 178.710 176.600 0.093 0.000 1.049 3559 K CA 1.150 57.492 56.287 0.093 0.000 0.933 3559 K CB -0.107 32.430 32.500 0.061 0.000 0.717 3559 K HN -0.037 nan 8.250 nan 0.000 0.442 3560 V N 1.974 121.953 119.914 0.109 0.000 2.307 3560 V HA -0.202 3.919 4.120 0.002 0.000 0.245 3560 V C 2.182 178.351 176.094 0.125 0.000 1.045 3560 V CA 1.693 64.054 62.300 0.100 0.000 1.024 3560 V CB -0.336 31.551 31.823 0.108 0.000 0.651 3560 V HN 0.271 nan 8.190 nan 0.000 0.449 3561 E N 0.224 120.533 120.200 0.182 0.000 2.110 3561 E HA -0.157 4.194 4.350 0.002 0.000 0.193 3561 E C 2.454 179.193 176.600 0.232 0.000 0.988 3561 E CA 1.555 58.085 56.400 0.218 0.000 0.804 3561 E CB -0.487 29.305 29.700 0.153 0.000 0.745 3561 E HN 0.543 nan 8.360 nan 0.000 0.458 3562 S N 0.688 116.512 115.700 0.207 0.000 2.368 3562 S HA -0.133 4.338 4.470 0.002 0.000 0.225 3562 S C 1.953 176.534 174.600 -0.032 0.000 1.030 3562 S CA 1.009 59.267 58.200 0.097 0.000 0.999 3562 S CB -0.102 63.178 63.200 0.133 0.000 0.844 3562 S HN 0.215 nan 8.310 nan 0.000 0.459 3563 R N 0.779 121.282 120.500 0.005 0.000 2.091 3563 R HA -0.039 4.302 4.340 0.002 0.000 0.238 3563 R C 2.164 178.433 176.300 -0.052 0.000 1.136 3563 R CA 1.376 57.460 56.100 -0.026 0.000 0.959 3563 R CB -0.396 29.897 30.300 -0.011 0.000 0.856 3563 R HN 0.388 nan 8.270 nan 0.000 0.437 3564 I N 0.784 121.340 120.570 -0.024 0.000 2.179 3564 I HA -0.302 3.869 4.170 0.002 0.000 0.242 3564 I C 2.178 178.243 176.117 -0.087 0.000 1.088 3564 I CA 1.525 62.809 61.300 -0.027 0.000 1.357 3564 I CB -0.463 37.578 38.000 0.067 0.000 1.051 3564 I HN 0.310 nan 8.210 nan 0.000 0.409 3565 N N 1.295 119.886 118.700 -0.182 0.000 2.166 3565 N HA -0.257 4.484 4.740 0.002 0.000 0.186 3565 N C 1.810 177.151 175.510 -0.283 0.000 1.019 3565 N CA 1.506 54.329 53.050 -0.379 0.000 0.856 3565 N CB -0.092 37.734 38.487 -1.102 0.000 0.993 3565 N HN 0.169 nan 8.380 nan 0.000 0.426 3566 K N -0.273 119.995 120.400 -0.221 0.000 2.097 3566 K HA -0.025 4.297 4.320 0.002 0.000 0.206 3566 K C 1.817 178.350 176.600 -0.111 0.000 1.049 3566 K CA 1.282 57.480 56.287 -0.148 0.000 0.933 3566 K CB -0.276 32.160 32.500 -0.107 0.000 0.717 3566 K HN 0.242 nan 8.250 nan 0.000 0.442 3567 A N 0.973 123.730 122.820 -0.105 0.000 1.930 3567 A HA -0.086 4.235 4.320 0.002 0.000 0.217 3567 A C 2.028 179.562 177.584 -0.083 0.000 1.175 3567 A CA 1.651 53.633 52.037 -0.091 0.000 0.627 3567 A CB -0.585 18.357 19.000 -0.096 0.000 0.815 3567 A HN 0.549 nan 8.150 nan 0.000 0.443 3568 I N -3.731 116.778 120.570 -0.102 0.000 3.427 3568 I HA 0.148 4.319 4.170 0.002 0.000 0.288 3568 I C 0.391 176.469 176.117 -0.065 0.000 1.249 3568 I CA 0.329 61.571 61.300 -0.096 0.000 1.421 3568 I CB -0.709 37.197 38.000 -0.156 0.000 1.086 3568 I HN -0.113 nan 8.210 nan 0.000 0.448 3569 T N 2.910 117.416 114.554 -0.079 0.000 2.817 3569 T HA 0.095 4.446 4.350 0.002 0.000 0.295 3569 T C -0.509 174.203 174.700 0.020 0.000 0.958 3569 T CA 0.155 62.223 62.100 -0.053 0.000 1.157 3569 T CB -0.257 68.553 68.868 -0.096 0.000 0.898 3569 T HN 0.207 nan 8.240 nan 0.000 0.536 3570 F N 4.847 124.736 119.950 -0.101 0.000 2.434 3570 F HA 0.483 5.011 4.527 0.002 0.000 0.358 3570 F C 0.615 176.398 175.800 -0.029 0.000 1.136 3570 F CA -0.901 57.057 58.000 -0.070 0.000 1.157 3570 F CB 0.247 39.192 39.000 -0.091 0.000 1.167 3570 F HN 0.333 nan 8.300 nan 0.000 0.539 3571 R N 7.483 127.707 120.500 -0.459 0.000 2.855 3571 R HA 0.377 4.718 4.340 0.002 0.000 0.261 3571 R C -2.911 173.190 176.300 -0.331 0.000 1.826 3571 R CA -1.786 54.127 56.100 -0.312 0.000 1.435 3571 R CB 0.416 30.665 30.300 -0.084 0.000 1.383 3571 R HN 0.313 nan 8.270 nan 0.000 0.583 3572 P HA 0.199 nan 4.420 nan 0.000 0.277 3572 P C -0.548 176.809 177.300 0.095 0.000 1.240 3572 P CA -0.330 62.616 63.100 -0.257 0.000 0.798 3572 P CB 1.336 32.836 31.700 -0.333 0.000 0.979 3573 S N 0.355 116.100 115.700 0.075 0.000 2.593 3573 S HA 0.092 4.563 4.470 0.002 0.000 0.269 3573 S C 1.517 176.232 174.600 0.192 0.000 1.334 3573 S CA -0.659 57.600 58.200 0.099 0.000 1.015 3573 S CB 0.106 63.333 63.200 0.044 0.000 0.912 3573 S HN 0.218 nan 8.310 nan 0.000 0.541 3574 V N 1.916 121.900 119.914 0.117 0.000 2.278 3574 V HA -0.239 3.882 4.120 0.002 0.000 0.251 3574 V C 2.623 178.817 176.094 0.168 0.000 1.062 3574 V CA 2.577 64.948 62.300 0.119 0.000 1.038 3574 V CB -1.411 30.407 31.823 -0.009 0.000 0.646 3574 V HN 0.891 nan 8.190 nan 0.000 0.447 3575 E N 0.101 120.368 120.200 0.111 0.000 2.058 3575 E HA -0.219 4.132 4.350 0.002 0.000 0.194 3575 E C 2.188 178.871 176.600 0.138 0.000 0.997 3575 E CA 1.609 58.073 56.400 0.105 0.000 0.801 3575 E CB -0.339 29.400 29.700 0.065 0.000 0.746 3575 E HN 0.695 nan 8.360 nan 0.000 0.450 3576 E N -0.210 120.071 120.200 0.136 0.000 2.077 3576 E HA -0.184 4.167 4.350 0.002 0.000 0.193 3576 E C 1.877 178.583 176.600 0.176 0.000 0.989 3576 E CA 0.865 57.341 56.400 0.127 0.000 0.800 3576 E CB -0.285 29.466 29.700 0.084 0.000 0.746 3576 E HN 0.230 nan 8.360 nan 0.000 0.452 3577 F N 1.158 121.158 119.950 0.082 0.000 2.091 3577 F HA -0.316 4.212 4.527 0.002 0.000 0.299 3577 F C 2.651 178.504 175.800 0.087 0.000 1.103 3577 F CA 1.760 59.816 58.000 0.093 0.000 1.228 3577 F CB -0.150 38.935 39.000 0.141 0.000 0.984 3577 F HN -0.052 nan 8.300 nan 0.000 0.477 3578 S N -0.472 115.475 115.700 0.413 0.000 2.371 3578 S HA -0.233 4.238 4.470 0.002 0.000 0.224 3578 S C 2.093 176.779 174.600 0.143 0.000 1.029 3578 S CA 1.392 59.760 58.200 0.280 0.000 0.978 3578 S CB -0.600 62.722 63.200 0.204 0.000 0.833 3578 S HN 0.649 nan 8.310 nan 0.000 0.466 3579 E N 0.379 120.647 120.200 0.114 0.000 2.077 3579 E HA -0.139 4.212 4.350 0.002 0.000 0.193 3579 E C 2.005 178.633 176.600 0.046 0.000 0.989 3579 E CA 1.482 57.924 56.400 0.071 0.000 0.800 3579 E CB -0.284 29.455 29.700 0.066 0.000 0.746 3579 E HN 0.645 nan 8.360 nan 0.000 0.452 3580 I N 1.138 121.728 120.570 0.033 0.000 2.163 3580 I HA -0.338 3.834 4.170 0.002 0.000 0.243 3580 I C 2.687 178.783 176.117 -0.036 0.000 1.085 3580 I CA 1.109 62.402 61.300 -0.011 0.000 1.347 3580 I CB -0.389 37.585 38.000 -0.043 0.000 1.044 3580 I HN 0.218 nan 8.210 nan 0.000 0.408 3581 Q N 0.600 120.377 119.800 -0.038 0.000 2.077 3581 Q HA -0.246 4.095 4.340 0.002 0.000 0.206 3581 Q C 1.835 177.846 176.000 0.018 0.000 0.989 3581 Q CA 1.798 57.594 55.803 -0.011 0.000 0.853 3581 Q CB -0.506 28.266 28.738 0.057 0.000 0.907 3581 Q HN 0.581 nan 8.270 nan 0.000 0.418 3582 D N 0.362 120.782 120.400 0.032 0.000 2.103 3582 D HA -0.062 4.579 4.640 0.002 0.000 0.199 3582 D C 2.217 178.530 176.300 0.021 0.000 0.978 3582 D CA 0.528 54.547 54.000 0.032 0.000 0.829 3582 D CB -0.345 40.478 40.800 0.038 0.000 0.981 3582 D HN 0.160 nan 8.370 nan 0.000 0.464 3583 L N 0.685 121.917 121.223 0.015 0.000 2.127 3583 L HA -0.161 4.180 4.340 0.002 0.000 0.211 3583 L C 2.454 179.322 176.870 -0.003 0.000 1.089 3583 L CA 0.585 55.429 54.840 0.007 0.000 0.757 3583 L CB -0.190 41.874 42.059 0.007 0.000 0.899 3583 L HN -0.051 nan 8.230 nan 0.000 0.434 3584 V N -0.437 119.473 119.914 -0.008 0.000 2.427 3584 V HA -0.262 3.859 4.120 0.002 0.000 0.248 3584 V C 2.296 178.411 176.094 0.036 0.000 1.051 3584 V CA 1.547 63.840 62.300 -0.012 0.000 1.048 3584 V CB -0.468 31.344 31.823 -0.018 0.000 0.666 3584 V HN 0.412 nan 8.190 nan 0.000 0.456 3585 K N 0.349 120.771 120.400 0.037 0.000 2.360 3585 K HA -0.144 4.177 4.320 0.002 0.000 0.201 3585 K C 1.999 178.627 176.600 0.048 0.000 1.046 3585 K CA 1.708 58.024 56.287 0.048 0.000 0.945 3585 K CB -0.245 32.278 32.500 0.037 0.000 0.750 3585 K HN 0.721 nan 8.250 nan 0.000 0.464 3586 T N -1.602 112.973 114.554 0.036 0.000 3.044 3586 T HA 0.104 4.455 4.350 0.002 0.000 0.250 3586 T C 0.499 175.222 174.700 0.039 0.000 1.081 3586 T CA -0.386 61.732 62.100 0.030 0.000 1.040 3586 T CB 0.102 68.979 68.868 0.015 0.000 0.962 3586 T HN -0.191 nan 8.240 nan 0.000 0.506 3587 L N 3.168 124.425 121.223 0.057 0.000 2.490 3587 L HA 0.368 4.710 4.340 0.002 0.000 0.274 3587 L C -2.186 174.769 176.870 0.143 0.000 1.201 3587 L CA -2.344 52.545 54.840 0.082 0.000 0.869 3587 L CB -0.034 42.058 42.059 0.054 0.000 1.123 3587 L HN 0.089 nan 8.230 nan 0.000 0.484 3588 P HA 0.157 nan 4.420 nan 0.000 0.266 3588 P C -0.775 176.618 177.300 0.155 0.000 1.215 3588 P CA 0.039 63.199 63.100 0.100 0.000 0.763 3588 P CB 0.347 32.085 31.700 0.062 0.000 0.806 3589 K N 1.865 122.309 120.400 0.072 0.000 2.565 3589 K HA 0.452 4.773 4.320 0.002 0.000 0.249 3589 K C -1.027 175.536 176.600 -0.063 0.000 0.958 3589 K CA -0.476 55.792 56.287 -0.032 0.000 0.806 3589 K CB 1.546 33.994 32.500 -0.086 0.000 1.194 3589 K HN 0.275 nan 8.250 nan 0.000 0.434 3590 T N 2.175 116.677 114.554 -0.087 0.000 2.907 3590 T HA 0.330 4.682 4.350 0.002 0.000 0.284 3590 T C 0.387 175.034 174.700 -0.087 0.000 1.004 3590 T CA -0.412 61.648 62.100 -0.066 0.000 1.063 3590 T CB 0.996 69.836 68.868 -0.046 0.000 0.992 3590 T HN 0.670 nan 8.240 nan 0.000 0.483 3591 K N 2.272 122.634 120.400 -0.062 0.000 2.308 3591 K HA 0.240 4.561 4.320 0.002 0.000 0.197 3591 K C 0.695 177.265 176.600 -0.050 0.000 1.049 3591 K CA -0.050 56.200 56.287 -0.061 0.000 0.991 3591 K CB 0.060 32.533 32.500 -0.046 0.000 0.836 3591 K HN 0.410 nan 8.250 nan 0.000 0.500 3592 V N 4.588 124.477 119.914 -0.041 0.000 2.479 3592 V HA 0.133 4.254 4.120 0.002 0.000 0.281 3592 V C 0.074 176.146 176.094 -0.036 0.000 1.031 3592 V CA -0.844 61.436 62.300 -0.033 0.000 1.038 3592 V CB -0.185 31.623 31.823 -0.026 0.000 0.981 3592 V HN 0.251 nan 8.190 nan 0.000 0.478 3593 I N 3.757 124.306 120.570 -0.034 0.000 2.452 3593 I HA 0.463 4.634 4.170 0.002 0.000 0.287 3593 I C 0.274 176.375 176.117 -0.026 0.000 1.079 3593 I CA -0.101 61.179 61.300 -0.034 0.000 1.387 3593 I CB 0.134 38.114 38.000 -0.034 0.000 1.404 3593 I HN 0.687 nan 8.210 nan 0.000 0.522 3594 E N 4.872 125.057 120.200 -0.024 0.000 2.383 3594 E HA 0.077 4.429 4.350 0.002 0.000 0.264 3594 E C -0.375 176.215 176.600 -0.016 0.000 1.050 3594 E CA -0.360 56.030 56.400 -0.016 0.000 0.896 3594 E CB 0.820 30.513 29.700 -0.011 0.000 0.982 3594 E HN 0.704 nan 8.360 nan 0.000 0.424 3595 D N 1.538 121.930 120.400 -0.013 0.000 2.433 3595 D HA -0.016 4.625 4.640 0.002 0.000 0.255 3595 D C 0.893 177.186 176.300 -0.011 0.000 1.226 3595 D CA -0.523 53.469 54.000 -0.014 0.000 1.015 3595 D CB 0.576 41.369 40.800 -0.013 0.000 1.091 3595 D HN 0.336 nan 8.370 nan 0.000 0.527 3596 L N 0.045 121.260 121.223 -0.014 0.000 2.017 3596 L HA -0.206 4.135 4.340 0.002 0.000 0.208 3596 L C 2.261 179.129 176.870 -0.002 0.000 1.073 3596 L CA 2.107 56.940 54.840 -0.012 0.000 0.745 3596 L CB -0.480 41.568 42.059 -0.018 0.000 0.894 3596 L HN 0.609 nan 8.230 nan 0.000 0.432 3597 S N -2.383 113.316 115.700 -0.002 0.000 2.402 3597 S HA -0.177 4.294 4.470 0.002 0.000 0.229 3597 S C 1.804 176.407 174.600 0.005 0.000 1.021 3597 S CA 1.492 59.693 58.200 0.002 0.000 0.974 3597 S CB -0.945 62.255 63.200 0.000 0.000 0.800 3597 S HN 0.477 nan 8.310 nan 0.000 0.484 3598 T N 2.420 116.975 114.554 0.002 0.000 2.737 3598 T HA 0.005 4.356 4.350 0.002 0.000 0.265 3598 T C 1.784 176.490 174.700 0.009 0.000 1.038 3598 T CA 1.414 63.516 62.100 0.003 0.000 1.144 3598 T CB -0.251 68.616 68.868 -0.001 0.000 0.866 3598 T HN 0.495 nan 8.240 nan 0.000 0.434 3599 K N 0.665 121.072 120.400 0.011 0.000 2.057 3599 K HA -0.077 4.244 4.320 0.002 0.000 0.207 3599 K C 2.620 179.240 176.600 0.033 0.000 1.049 3599 K CA 1.484 57.784 56.287 0.022 0.000 0.931 3599 K CB -0.441 32.071 32.500 0.020 0.000 0.714 3599 K HN 0.226 nan 8.250 nan 0.000 0.440 3600 T N 1.623 116.194 114.554 0.029 0.000 2.665 3600 T HA -0.145 4.206 4.350 0.002 0.000 0.268 3600 T C 1.624 176.342 174.700 0.031 0.000 1.035 3600 T CA 1.482 63.604 62.100 0.037 0.000 1.151 3600 T CB -0.291 68.594 68.868 0.028 0.000 0.862 3600 T HN 0.216 nan 8.240 nan 0.000 0.438 3601 N N 0.728 119.440 118.700 0.020 0.000 2.120 3601 N HA -0.091 4.650 4.740 0.002 0.000 0.188 3601 N C 1.941 177.461 175.510 0.016 0.000 1.024 3601 N CA 1.037 54.096 53.050 0.015 0.000 0.852 3601 N CB -0.320 38.172 38.487 0.008 0.000 1.003 3601 N HN 0.572 nan 8.380 nan 0.000 0.424 3602 E N 0.592 120.804 120.200 0.020 0.000 2.077 3602 E HA -0.066 4.285 4.350 0.002 0.000 0.193 3602 E C 1.969 178.587 176.600 0.030 0.000 0.989 3602 E CA 0.645 57.058 56.400 0.021 0.000 0.800 3602 E CB 0.043 29.757 29.700 0.024 0.000 0.746 3602 E HN 0.308 nan 8.360 nan 0.000 0.452 3603 I N 0.403 120.999 120.570 0.043 0.000 2.353 3603 I HA -0.202 3.969 4.170 0.002 0.000 0.248 3603 I C 2.285 178.427 176.117 0.042 0.000 1.119 3603 I CA 1.037 62.371 61.300 0.057 0.000 1.417 3603 I CB -0.308 37.740 38.000 0.080 0.000 1.078 3603 I HN 0.139 nan 8.210 nan 0.000 0.421 3604 T N 0.245 114.818 114.554 0.031 0.000 2.737 3604 T HA -0.133 4.218 4.350 0.002 0.000 0.265 3604 T C 1.808 176.515 174.700 0.012 0.000 1.038 3604 T CA 1.095 63.207 62.100 0.020 0.000 1.144 3604 T CB -0.182 68.695 68.868 0.015 0.000 0.866 3604 T HN 0.268 nan 8.240 nan 0.000 0.434 3605 E N 1.451 121.656 120.200 0.008 0.000 2.085 3605 E HA -0.104 4.247 4.350 0.002 0.000 0.194 3605 E C 2.571 179.168 176.600 -0.005 0.000 0.994 3605 E CA 1.261 57.661 56.400 -0.001 0.000 0.801 3605 E CB -0.602 29.096 29.700 -0.004 0.000 0.743 3605 E HN 0.522 nan 8.360 nan 0.000 0.453 3606 A N 1.105 123.926 122.820 0.002 0.000 1.908 3606 A HA -0.176 4.145 4.320 0.002 0.000 0.218 3606 A C 2.269 179.855 177.584 0.004 0.000 1.181 3606 A CA 1.218 53.252 52.037 -0.005 0.000 0.627 3606 A CB -0.607 18.403 19.000 0.015 0.000 0.818 3606 A HN 0.186 nan 8.150 nan 0.000 0.445 3607 L N -0.419 120.815 121.223 0.019 0.000 2.017 3607 L HA -0.117 4.224 4.340 0.002 0.000 0.208 3607 L C 2.865 179.740 176.870 0.008 0.000 1.073 3607 L CA 2.069 56.921 54.840 0.021 0.000 0.745 3607 L CB -0.824 41.245 42.059 0.018 0.000 0.894 3607 L HN 0.388 nan 8.230 nan 0.000 0.432 3608 A N -1.262 121.558 122.820 0.001 0.000 2.014 3608 A HA -0.023 4.298 4.320 0.002 0.000 0.218 3608 A C 2.421 180.000 177.584 -0.009 0.000 1.163 3608 A CA 1.273 53.308 52.037 -0.004 0.000 0.652 3608 A CB -0.823 18.174 19.000 -0.005 0.000 0.808 3608 A HN 0.433 nan 8.150 nan 0.000 0.449 3609 A N -0.136 122.674 122.820 -0.016 0.000 1.986 3609 A HA -0.113 4.208 4.320 0.002 0.000 0.220 3609 A C 2.103 179.672 177.584 -0.026 0.000 1.171 3609 A CA 2.273 54.293 52.037 -0.028 0.000 0.640 3609 A CB -0.939 18.032 19.000 -0.048 0.000 0.811 3609 A HN 0.863 nan 8.150 nan 0.000 0.451 3610 T N -4.307 110.239 114.554 -0.015 0.000 3.174 3610 T HA 0.422 4.773 4.350 0.002 0.000 0.269 3610 T C 0.180 174.885 174.700 0.008 0.000 1.017 3610 T CA 0.457 62.554 62.100 -0.004 0.000 0.899 3610 T CB -0.028 68.843 68.868 0.006 0.000 1.077 3610 T HN 0.253 nan 8.240 nan 0.000 0.552 3611 S N 0.342 116.044 115.700 0.004 0.000 2.774 3611 S HA 0.393 4.865 4.470 0.002 0.000 0.297 3611 S C 0.869 175.470 174.600 0.002 0.000 1.143 3611 S CA -0.805 57.398 58.200 0.006 0.000 1.090 3611 S CB 1.028 64.232 63.200 0.006 0.000 1.019 3611 S HN 0.333 nan 8.310 nan 0.000 0.482 3612 K N 2.024 122.426 120.400 0.003 0.000 2.063 3612 K HA -0.104 4.217 4.320 0.002 0.000 0.208 3612 K C 1.805 178.404 176.600 -0.001 0.000 1.048 3612 K CA 2.056 58.343 56.287 0.001 0.000 0.928 3612 K CB -0.362 32.139 32.500 0.003 0.000 0.713 3612 K HN 0.614 nan 8.250 nan 0.000 0.442 3613 T N 1.872 116.426 114.554 0.000 0.000 2.652 3613 T HA -0.155 4.197 4.350 0.002 0.000 0.267 3613 T C 1.920 176.617 174.700 -0.005 0.000 1.039 3613 T CA 1.420 63.518 62.100 -0.002 0.000 1.153 3613 T CB -0.258 68.609 68.868 -0.003 0.000 0.863 3613 T HN 0.158 nan 8.240 nan 0.000 0.428 3614 I N 1.040 121.607 120.570 -0.005 0.000 2.226 3614 I HA -0.233 3.938 4.170 0.002 0.000 0.245 3614 I C 2.805 178.919 176.117 -0.006 0.000 1.100 3614 I CA 1.404 62.700 61.300 -0.006 0.000 1.374 3614 I CB -0.502 37.495 38.000 -0.006 0.000 1.057 3614 I HN 0.344 nan 8.210 nan 0.000 0.413 3615 Q N 0.514 120.311 119.800 -0.005 0.000 2.124 3615 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 3615 Q C 2.119 178.116 176.000 -0.005 0.000 0.977 3615 Q CA 1.361 57.161 55.803 -0.006 0.000 0.850 3615 Q CB -0.107 28.628 28.738 -0.006 0.000 0.901 3615 Q HN 0.502 nan 8.270 nan 0.000 0.429 3616 R N -0.240 120.258 120.500 -0.005 0.000 2.297 3616 R HA 0.065 4.406 4.340 0.002 0.000 0.197 3616 R C 0.059 176.356 176.300 -0.005 0.000 0.943 3616 R CA 0.537 56.635 56.100 -0.004 0.000 1.038 3616 R CB 0.663 30.961 30.300 -0.003 0.000 0.957 3616 R HN -0.030 nan 8.270 nan 0.000 0.484 3617 T N 1.229 115.780 114.554 -0.006 0.000 3.241 3617 T HA 0.200 4.551 4.350 0.002 0.000 0.387 3617 T C -2.279 172.417 174.700 -0.008 0.000 1.451 3617 T CA -1.443 60.652 62.100 -0.007 0.000 1.363 3617 T CB 1.780 70.643 68.868 -0.009 0.000 1.074 3617 T HN -0.167 nan 8.240 nan 0.000 0.598 3618 P HA -0.173 nan 4.420 nan 0.000 0.216 3618 P C 1.520 178.816 177.300 -0.008 0.000 1.150 3618 P CA 0.967 64.063 63.100 -0.006 0.000 0.843 3618 P CB 0.404 32.100 31.700 -0.005 0.000 0.787 3619 E N -0.689 119.506 120.200 -0.008 0.000 2.077 3619 E HA -0.208 4.143 4.350 0.002 0.000 0.193 3619 E C 1.840 178.432 176.600 -0.014 0.000 0.989 3619 E CA 0.884 57.278 56.400 -0.010 0.000 0.800 3619 E CB -0.516 29.178 29.700 -0.010 0.000 0.746 3619 E HN 0.030 nan 8.360 nan 0.000 0.452 3620 L N 1.650 122.864 121.223 -0.015 0.000 2.027 3620 L HA -0.133 4.208 4.340 0.002 0.000 0.206 3620 L C 2.359 179.218 176.870 -0.018 0.000 1.074 3620 L CA 2.107 56.935 54.840 -0.020 0.000 0.745 3620 L CB -0.617 41.430 42.059 -0.019 0.000 0.898 3620 L HN 0.006 nan 8.230 nan 0.000 0.433 3621 K N -0.704 119.688 120.400 -0.013 0.000 2.103 3621 K HA -0.268 4.053 4.320 0.002 0.000 0.207 3621 K C 2.111 178.706 176.600 -0.008 0.000 1.048 3621 K CA 1.696 57.977 56.287 -0.010 0.000 0.930 3621 K CB -0.122 32.374 32.500 -0.007 0.000 0.716 3621 K HN 0.369 nan 8.250 nan 0.000 0.444 3622 E N 0.902 121.097 120.200 -0.008 0.000 2.106 3622 E HA -0.180 4.171 4.350 0.002 0.000 0.192 3622 E C 1.909 178.505 176.600 -0.008 0.000 0.984 3622 E CA 1.551 57.947 56.400 -0.006 0.000 0.806 3622 E CB 0.027 29.724 29.700 -0.005 0.000 0.750 3622 E HN 0.389 nan 8.360 nan 0.000 0.458 3623 Q N -0.266 119.525 119.800 -0.014 0.000 2.084 3623 Q HA -0.104 4.237 4.340 0.002 0.000 0.202 3623 Q C 2.346 178.332 176.000 -0.022 0.000 0.978 3623 Q CA 1.545 57.336 55.803 -0.020 0.000 0.844 3623 Q CB -0.152 28.567 28.738 -0.032 0.000 0.898 3623 Q HN 0.337 nan 8.270 nan 0.000 0.426 3624 L N 0.644 121.853 121.223 -0.023 0.000 2.083 3624 L HA -0.199 4.142 4.340 0.002 0.000 0.209 3624 L C 2.534 179.402 176.870 -0.004 0.000 1.083 3624 L CA 1.151 55.977 54.840 -0.022 0.000 0.752 3624 L CB -0.462 41.584 42.059 -0.022 0.000 0.899 3624 L HN 0.197 nan 8.230 nan 0.000 0.433 3625 K N -0.067 120.334 120.400 0.001 0.000 2.063 3625 K HA -0.181 4.140 4.320 0.002 0.000 0.208 3625 K C 2.029 178.640 176.600 0.018 0.000 1.048 3625 K CA 1.955 58.249 56.287 0.012 0.000 0.928 3625 K CB -0.052 32.453 32.500 0.008 0.000 0.713 3625 K HN 0.200 nan 8.250 nan 0.000 0.442 3626 T N 0.769 115.330 114.554 0.011 0.000 2.708 3626 T HA -0.145 4.206 4.350 0.002 0.000 0.266 3626 T C 1.862 176.579 174.700 0.028 0.000 1.037 3626 T CA 1.387 63.497 62.100 0.016 0.000 1.146 3626 T CB -0.365 68.508 68.868 0.009 0.000 0.865 3626 T HN 0.432 nan 8.240 nan 0.000 0.435 3627 A N 1.238 124.070 122.820 0.019 0.000 1.883 3627 A HA -0.085 4.237 4.320 0.002 0.000 0.217 3627 A C 2.299 179.926 177.584 0.072 0.000 1.186 3627 A CA 1.486 53.539 52.037 0.027 0.000 0.624 3627 A CB -0.885 18.105 19.000 -0.015 0.000 0.822 3627 A HN 0.541 nan 8.150 nan 0.000 0.444 3628 I N -0.805 119.805 120.570 0.068 0.000 2.226 3628 I HA -0.274 3.897 4.170 0.002 0.000 0.245 3628 I C 2.569 178.771 176.117 0.142 0.000 1.100 3628 I CA 1.889 63.264 61.300 0.125 0.000 1.374 3628 I CB -0.388 37.664 38.000 0.087 0.000 1.057 3628 I HN 0.544 nan 8.210 nan 0.000 0.413 3629 E N 1.146 121.394 120.200 0.080 0.000 2.077 3629 E HA -0.264 4.087 4.350 0.002 0.000 0.193 3629 E C 1.680 178.310 176.600 0.051 0.000 0.989 3629 E CA 1.687 58.119 56.400 0.053 0.000 0.800 3629 E CB 0.094 29.812 29.700 0.031 0.000 0.746 3629 E HN 0.384 nan 8.360 nan 0.000 0.452 3630 D N -0.109 120.333 120.400 0.069 0.000 2.097 3630 D HA -0.177 4.464 4.640 0.002 0.000 0.195 3630 D C 1.617 177.973 176.300 0.093 0.000 0.989 3630 D CA 0.951 54.991 54.000 0.068 0.000 0.827 3630 D CB -0.447 40.397 40.800 0.073 0.000 0.966 3630 D HN 0.243 nan 8.370 nan 0.000 0.456 3631 F N 1.348 121.298 119.950 -0.001 0.000 2.102 3631 F HA -0.091 4.437 4.527 0.001 0.000 0.298 3631 F C 2.059 177.863 175.800 0.005 0.000 1.105 3631 F CA 1.093 59.093 58.000 0.002 0.000 1.239 3631 F CB -0.428 38.571 39.000 -0.001 0.000 0.991 3631 F HN -0.113 nan 8.300 nan 0.000 0.474 3632 L N -0.076 121.033 121.223 -0.190 0.000 2.083 3632 L HA -0.236 4.105 4.340 0.002 0.000 0.209 3632 L C 2.556 179.286 176.870 -0.232 0.000 1.083 3632 L CA 1.826 56.493 54.840 -0.289 0.000 0.752 3632 L CB -0.807 41.209 42.059 -0.072 0.000 0.899 3632 L HN 0.292 nan 8.230 nan 0.000 0.433 3633 Q N -0.258 119.465 119.800 -0.129 0.000 2.245 3633 Q HA -0.109 4.232 4.340 0.002 0.000 0.201 3633 Q C 1.899 177.839 176.000 -0.100 0.000 0.955 3633 Q CA 0.903 56.652 55.803 -0.090 0.000 0.870 3633 Q CB 0.284 28.997 28.738 -0.042 0.000 0.945 3633 Q HN 0.460 nan 8.270 nan 0.000 0.461 3634 N N -0.408 118.223 118.700 -0.114 0.000 2.250 3634 N HA -0.089 4.652 4.740 0.002 0.000 0.181 3634 N C 1.622 177.052 175.510 -0.134 0.000 1.017 3634 N CA 1.441 54.439 53.050 -0.086 0.000 0.866 3634 N CB -0.015 38.457 38.487 -0.025 0.000 0.985 3634 N HN 0.268 nan 8.380 nan 0.000 0.429 3635 S N -0.170 115.363 115.700 -0.277 0.000 2.524 3635 S HA -0.011 4.460 4.470 0.002 0.000 0.216 3635 S C 0.853 175.326 174.600 -0.213 0.000 0.987 3635 S CA -0.332 57.695 58.200 -0.287 0.000 0.909 3635 S CB -0.048 62.801 63.200 -0.584 0.000 0.781 3635 S HN 0.274 nan 8.310 nan 0.000 0.521 3636 Q N 1.720 121.404 119.800 -0.194 0.000 2.255 3636 Q HA 0.283 4.624 4.340 0.002 0.000 0.280 3636 Q C 1.005 176.953 176.000 -0.087 0.000 1.068 3636 Q CA 1.099 56.824 55.803 -0.130 0.000 0.911 3636 Q CB -0.245 28.428 28.738 -0.108 0.000 1.157 3636 Q HN 0.728 nan 8.270 nan 0.000 0.380 3637 G N 3.739 112.496 108.800 -0.071 0.000 2.162 3637 G HA2 -0.282 3.679 3.960 0.002 0.000 0.260 3637 G HA3 -0.282 3.679 3.960 0.002 0.000 0.260 3637 G C -0.292 174.582 174.900 -0.043 0.000 0.976 3637 G CA 0.660 45.730 45.100 -0.050 0.000 0.655 3637 G HN 0.594 nan 8.290 nan 0.000 0.533 3638 K N -0.008 120.362 120.400 -0.050 0.000 2.350 3638 K HA 0.570 4.892 4.320 0.002 0.000 0.241 3638 K C -2.734 173.849 176.600 -0.028 0.000 0.994 3638 K CA -2.166 54.100 56.287 -0.035 0.000 0.839 3638 K CB 1.780 34.260 32.500 -0.033 0.000 1.244 3638 K HN -0.065 nan 8.250 nan 0.000 0.443 3639 P HA 0.066 nan 4.420 nan 0.000 0.271 3639 P C -0.484 176.825 177.300 0.016 0.000 1.216 3639 P CA -0.299 62.800 63.100 -0.001 0.000 0.771 3639 P CB 0.469 32.172 31.700 0.006 0.000 0.864 3640 L N 2.552 123.795 121.223 0.033 0.000 2.483 3640 L HA 0.176 4.517 4.340 0.002 0.000 0.276 3640 L C 0.747 177.668 176.870 0.085 0.000 1.213 3640 L CA 0.749 55.636 54.840 0.078 0.000 0.843 3640 L CB 0.358 42.482 42.059 0.109 0.000 1.107 3640 L HN 0.581 nan 8.230 nan 0.000 0.487 3641 T N -0.505 114.116 114.554 0.110 0.000 2.906 3641 T HA 0.312 4.663 4.350 0.002 0.000 0.295 3641 T C 0.883 175.663 174.700 0.134 0.000 1.075 3641 T CA -0.905 61.257 62.100 0.103 0.000 1.005 3641 T CB 1.676 70.593 68.868 0.081 0.000 1.136 3641 T HN 0.193 nan 8.240 nan 0.000 0.498 3642 V N 1.300 121.291 119.914 0.128 0.000 2.392 3642 V HA -0.157 3.964 4.120 0.002 0.000 0.249 3642 V C 2.899 179.097 176.094 0.173 0.000 1.059 3642 V CA 1.879 64.278 62.300 0.164 0.000 1.051 3642 V CB -1.041 30.875 31.823 0.154 0.000 0.658 3642 V HN 0.862 nan 8.190 nan 0.000 0.455 3643 Q N -0.457 119.424 119.800 0.135 0.000 2.061 3643 Q HA -0.190 4.151 4.340 0.002 0.000 0.204 3643 Q C 2.223 178.291 176.000 0.115 0.000 0.984 3643 Q CA 2.100 57.973 55.803 0.116 0.000 0.846 3643 Q CB -0.437 28.352 28.738 0.085 0.000 0.902 3643 Q HN 0.593 nan 8.270 nan 0.000 0.421 3644 M N -0.738 118.945 119.600 0.138 0.000 2.108 3644 M HA -0.201 4.280 4.480 0.002 0.000 0.261 3644 M C 1.965 178.365 176.300 0.168 0.000 1.066 3644 M CA 1.387 56.803 55.300 0.193 0.000 1.107 3644 M CB -0.409 32.351 32.600 0.267 0.000 1.356 3644 M HN 0.227 nan 8.290 nan 0.000 0.406 3645 I N -0.101 120.548 120.570 0.133 0.000 2.252 3645 I HA -0.248 3.923 4.170 0.002 0.000 0.245 3645 I C 2.176 178.244 176.117 -0.082 0.000 1.102 3645 I CA 1.358 62.672 61.300 0.022 0.000 1.385 3645 I CB -0.522 37.564 38.000 0.143 0.000 1.064 3645 I HN 0.339 nan 8.210 nan 0.000 0.414 3646 E N 0.967 121.191 120.200 0.039 0.000 2.085 3646 E HA -0.233 4.118 4.350 0.002 0.000 0.194 3646 E C 1.882 178.402 176.600 -0.132 0.000 0.994 3646 E CA 1.352 57.717 56.400 -0.058 0.000 0.801 3646 E CB -0.185 29.576 29.700 0.102 0.000 0.743 3646 E HN 0.479 nan 8.360 nan 0.000 0.453 3647 N N 0.824 119.500 118.700 -0.039 0.000 2.106 3647 N HA -0.139 4.602 4.740 0.002 0.000 0.188 3647 N C 1.850 177.339 175.510 -0.036 0.000 1.029 3647 N CA 0.612 53.656 53.050 -0.010 0.000 0.848 3647 N CB -0.438 38.074 38.487 0.043 0.000 1.007 3647 N HN 0.081 nan 8.380 nan 0.000 0.423 3648 L N 1.999 123.166 121.223 -0.095 0.000 1.990 3648 L HA -0.141 4.200 4.340 0.002 0.000 0.213 3648 L C 1.823 178.536 176.870 -0.262 0.000 1.072 3648 L CA 1.778 56.500 54.840 -0.198 0.000 0.755 3648 L CB -1.113 40.668 42.059 -0.464 0.000 0.889 3648 L HN 0.267 nan 8.230 nan 0.000 0.432 3649 N N -1.527 116.926 118.700 -0.412 0.000 2.104 3649 N HA -0.310 4.431 4.740 0.002 0.000 0.190 3649 N C 2.119 177.423 175.510 -0.344 0.000 1.024 3649 N CA 1.548 54.270 53.050 -0.547 0.000 0.853 3649 N CB -0.311 37.433 38.487 -1.238 0.000 1.008 3649 N HN 0.673 nan 8.380 nan 0.000 0.424 3650 H N -0.067 118.809 119.070 -0.324 0.000 2.357 3650 H HA -0.058 4.499 4.556 0.002 0.000 0.301 3650 H C 1.878 177.123 175.328 -0.139 0.000 1.082 3650 H CA 1.783 57.712 56.048 -0.199 0.000 1.342 3650 H CB -0.307 29.371 29.762 -0.141 0.000 1.389 3650 H HN 0.356 nan 8.280 nan 0.000 0.511 3651 G N 0.810 109.551 108.800 -0.100 0.000 2.448 3651 G HA2 -0.153 3.808 3.960 0.002 0.000 0.219 3651 G HA3 -0.153 3.808 3.960 0.002 0.000 0.219 3651 G C 1.718 176.528 174.900 -0.150 0.000 1.127 3651 G CA 0.387 45.421 45.100 -0.110 0.000 0.766 3651 G HN 0.376 nan 8.290 nan 0.000 0.552 3652 L N -0.515 120.604 121.223 -0.173 0.000 2.612 3652 L HA 0.264 4.605 4.340 0.002 0.000 0.230 3652 L C 1.168 177.942 176.870 -0.161 0.000 1.140 3652 L CA 0.069 54.818 54.840 -0.153 0.000 0.896 3652 L CB 0.272 42.234 42.059 -0.161 0.000 1.065 3652 L HN 0.062 nan 8.230 nan 0.000 0.447 3653 R N 0.038 120.410 120.500 -0.213 0.000 2.835 3653 R HA 0.171 4.512 4.340 0.002 0.000 0.290 3653 R C -1.681 174.489 176.300 -0.218 0.000 1.410 3653 R CA -0.990 54.991 56.100 -0.198 0.000 1.590 3653 R CB 0.502 30.680 30.300 -0.204 0.000 1.288 3653 R HN -0.011 nan 8.270 nan 0.000 0.637 3654 P HA -0.055 nan 4.420 nan 0.000 0.221 3654 P C -0.106 177.135 177.300 -0.098 0.000 1.155 3654 P CA 0.910 63.925 63.100 -0.142 0.000 0.812 3654 P CB 0.396 32.037 31.700 -0.098 0.000 0.801 3655 D N 0.048 120.402 120.400 -0.078 0.000 2.344 3655 D HA 0.008 4.649 4.640 0.002 0.000 0.242 3655 D C 1.526 177.798 176.300 -0.046 0.000 1.159 3655 D CA 0.293 54.262 54.000 -0.051 0.000 0.859 3655 D CB 0.004 40.781 40.800 -0.039 0.000 0.925 3655 D HN 0.369 nan 8.370 nan 0.000 0.510 3656 E N 0.158 120.322 120.200 -0.059 0.000 2.102 3656 E HA 0.227 4.578 4.350 0.002 0.000 0.190 3656 E C 0.981 177.567 176.600 -0.022 0.000 0.971 3656 E CA 0.418 56.792 56.400 -0.044 0.000 0.821 3656 E CB 0.495 30.158 29.700 -0.062 0.000 0.777 3656 E HN 0.261 nan 8.360 nan 0.000 0.460 3657 G N 1.126 109.914 108.800 -0.019 0.000 2.603 3657 G HA2 -0.143 3.818 3.960 0.002 0.000 0.686 3657 G HA3 -0.143 3.818 3.960 0.002 0.000 0.686 3657 G C -0.903 174.007 174.900 0.015 0.000 1.286 3657 G CA -0.730 44.369 45.100 -0.001 0.000 0.871 3657 G HN 0.010 nan 8.290 nan 0.000 0.568 3658 E N 0.037 120.250 120.200 0.023 0.000 2.319 3658 E HA 0.546 4.897 4.350 0.002 0.000 0.268 3658 E C 1.273 177.894 176.600 0.035 0.000 1.050 3658 E CA 0.629 57.050 56.400 0.036 0.000 0.878 3658 E CB 1.023 30.741 29.700 0.029 0.000 1.066 3658 E HN 2.293 nan 8.360 nan 0.000 0.406 3659 G N 1.806 110.632 108.800 0.043 0.000 2.159 3659 G HA2 -0.254 3.707 3.960 0.002 0.000 0.256 3659 G HA3 -0.254 3.707 3.960 0.002 0.000 0.256 3659 G C 0.177 175.102 174.900 0.041 0.000 0.977 3659 G CA -0.049 45.072 45.100 0.037 0.000 0.652 3659 G HN 0.275 nan 8.290 nan 0.000 0.531 3660 R N 0.198 120.728 120.500 0.049 0.000 2.643 3660 R HA 0.431 4.772 4.340 0.002 0.000 0.270 3660 R C 1.203 177.540 176.300 0.063 0.000 1.061 3660 R CA -0.511 55.618 56.100 0.049 0.000 1.107 3660 R CB 0.117 30.443 30.300 0.042 0.000 0.999 3660 R HN 0.392 nan 8.270 nan 0.000 0.460 3661 L N 2.924 124.185 121.223 0.063 0.000 2.426 3661 L HA 0.013 4.354 4.340 0.002 0.000 0.271 3661 L C 1.817 178.744 176.870 0.094 0.000 1.169 3661 L CA -0.389 54.501 54.840 0.083 0.000 0.836 3661 L CB 0.131 42.242 42.059 0.086 0.000 1.112 3661 L HN 0.424 nan 8.230 nan 0.000 0.465 3662 L N 3.299 124.589 121.223 0.112 0.000 2.034 3662 L HA 0.041 4.382 4.340 0.002 0.000 0.203 3662 L C 0.368 177.296 176.870 0.097 0.000 1.074 3662 L CA 1.388 56.274 54.840 0.077 0.000 0.748 3662 L CB -0.210 41.867 42.059 0.029 0.000 0.905 3662 L HN 0.320 nan 8.230 nan 0.000 0.439 3663 Y N 1.120 121.521 120.300 0.168 0.000 2.307 3663 Y HA 0.260 4.810 4.550 0.001 0.000 0.324 3663 Y C 0.581 176.502 175.900 0.035 0.000 1.238 3663 Y CA -0.813 57.325 58.100 0.063 0.000 1.280 3663 Y CB 0.352 38.788 38.460 -0.039 0.000 1.248 3663 Y HN 0.114 nan 8.280 nan 0.000 0.508 3664 K N 1.962 122.459 120.400 0.162 0.000 2.414 3664 K HA 0.083 4.404 4.320 0.002 0.000 0.272 3664 K C 0.071 176.721 176.600 0.083 0.000 0.993 3664 K CA -0.421 55.921 56.287 0.092 0.000 0.964 3664 K CB 0.583 33.113 32.500 0.050 0.000 0.925 3664 K HN 0.822 nan 8.250 nan 0.000 0.487 3665 K N 0.848 121.283 120.400 0.060 0.000 2.353 3665 K HA 0.035 4.356 4.320 0.002 0.000 0.195 3665 K C -0.351 176.264 176.600 0.025 0.000 1.031 3665 K CA -0.130 56.181 56.287 0.041 0.000 1.079 3665 K CB 0.174 32.697 32.500 0.037 0.000 0.857 3665 K HN 0.829 nan 8.250 nan 0.000 0.535 3666 E N 0.193 120.412 120.200 0.032 0.000 2.445 3666 E HA 0.255 4.606 4.350 0.002 0.000 0.279 3666 E C -1.341 175.286 176.600 0.046 0.000 1.018 3666 E CA -1.136 55.281 56.400 0.029 0.000 0.816 3666 E CB 0.341 30.056 29.700 0.026 0.000 1.356 3666 E HN -0.135 nan 8.360 nan 0.000 0.462 3667 N N 1.212 119.942 118.700 0.049 0.000 2.434 3667 N HA 0.145 4.886 4.740 0.002 0.000 0.268 3667 N C -0.632 174.933 175.510 0.092 0.000 1.256 3667 N CA 0.516 53.614 53.050 0.080 0.000 0.914 3667 N CB 0.256 38.786 38.487 0.071 0.000 1.088 3667 N HN 0.330 nan 8.380 nan 0.000 0.478 3668 L N 0.917 122.217 121.223 0.129 0.000 2.319 3668 L HA 0.590 4.931 4.340 0.002 0.000 0.267 3668 L C 0.665 177.688 176.870 0.255 0.000 1.011 3668 L CA -0.591 54.332 54.840 0.139 0.000 0.818 3668 L CB 2.187 44.298 42.059 0.087 0.000 1.316 3668 L HN 0.371 nan 8.230 nan 0.000 0.432 3669 T N 0.852 115.542 114.554 0.226 0.000 2.821 3669 T HA 0.576 4.928 4.350 0.002 0.000 0.306 3669 T C -2.139 172.694 174.700 0.221 0.000 1.313 3669 T CA -0.726 61.540 62.100 0.277 0.000 1.012 3669 T CB 1.657 70.597 68.868 0.120 0.000 1.298 3669 T HN 0.724 nan 8.240 nan 0.000 0.502 3670 K N 2.128 122.663 120.400 0.224 0.000 2.575 3670 K HA 0.389 4.710 4.320 0.002 0.000 0.255 3670 K C -0.857 175.795 176.600 0.087 0.000 0.953 3670 K CA -0.720 55.652 56.287 0.141 0.000 0.840 3670 K CB 1.234 33.828 32.500 0.157 0.000 1.303 3670 K HN 0.914 nan 8.250 nan 0.000 0.438 3671 E N 1.539 121.766 120.200 0.045 0.000 2.246 3671 E HA -0.274 4.077 4.350 0.002 0.000 0.173 3671 E C -1.523 175.077 176.600 -0.001 0.000 1.532 3671 E CA 1.120 57.535 56.400 0.025 0.000 0.672 3671 E CB -1.942 27.783 29.700 0.042 0.000 1.078 3671 E HN 0.745 nan 8.360 nan 0.000 0.338 3672 N N 1.030 119.708 118.700 -0.037 0.000 2.886 3672 N HA 0.454 5.195 4.740 0.002 0.000 0.285 3672 N C -0.484 174.958 175.510 -0.114 0.000 1.706 3672 N CA 0.188 53.211 53.050 -0.045 0.000 0.904 3672 N CB 1.704 40.168 38.487 -0.037 0.000 1.224 3672 N HN 0.588 nan 8.380 nan 0.000 0.488 3673 A N 0.322 123.031 122.820 -0.185 0.000 2.332 3673 A HA 0.555 4.876 4.320 0.002 0.000 0.258 3673 A C -0.000 177.279 177.584 -0.508 0.000 1.087 3673 A CA -0.327 51.446 52.037 -0.440 0.000 0.802 3673 A CB 0.611 19.145 19.000 -0.778 0.000 1.042 3673 A HN 0.243 nan 8.150 nan 0.000 0.489 3674 V N 1.854 121.438 119.914 -0.551 0.000 2.357 3674 V HA 0.477 4.598 4.120 0.002 0.000 0.284 3674 V C -0.947 174.879 176.094 -0.445 0.000 1.018 3674 V CA -0.066 62.015 62.300 -0.365 0.000 0.841 3674 V CB 0.301 32.021 31.823 -0.171 0.000 0.991 3674 V HN 0.672 nan 8.190 nan 0.000 0.437 3675 F N 1.163 121.137 119.950 0.040 0.000 2.557 3675 F HA 0.574 5.103 4.527 0.002 0.000 0.336 3675 F C 1.025 176.881 175.800 0.093 0.000 1.058 3675 F CA -0.686 57.350 58.000 0.060 0.000 0.988 3675 F CB 1.433 40.468 39.000 0.058 0.000 1.275 3675 F HN 0.328 nan 8.300 nan 0.000 0.488 3676 S N 0.157 116.071 115.700 0.356 0.000 2.584 3676 S HA 0.257 4.729 4.470 0.002 0.000 0.270 3676 S C -0.040 174.693 174.600 0.221 0.000 1.346 3676 S CA -0.721 57.641 58.200 0.270 0.000 1.018 3676 S CB 0.531 63.898 63.200 0.279 0.000 0.899 3676 S HN 0.695 nan 8.310 nan 0.000 0.542 3677 S N 2.173 118.000 115.700 0.212 0.000 2.589 3677 S HA 0.194 4.665 4.470 0.002 0.000 0.265 3677 S C -2.025 172.645 174.600 0.118 0.000 1.342 3677 S CA -0.953 57.349 58.200 0.170 0.000 1.005 3677 S CB -0.026 63.300 63.200 0.211 0.000 0.909 3677 S HN 0.355 nan 8.310 nan 0.000 0.555 3678 P HA -0.148 nan 4.420 nan 0.000 0.215 3678 P C 1.510 178.799 177.300 -0.018 0.000 1.163 3678 P CA 1.537 64.647 63.100 0.017 0.000 0.894 3678 P CB 0.015 31.716 31.700 0.002 0.000 0.791 3679 E N -0.402 119.812 120.200 0.022 0.000 2.072 3679 E HA -0.109 4.242 4.350 0.002 0.000 0.191 3679 E C 1.971 178.581 176.600 0.016 0.000 0.985 3679 E CA 1.426 57.835 56.400 0.014 0.000 0.801 3679 E CB -1.166 28.578 29.700 0.073 0.000 0.750 3679 E HN 0.042 nan 8.360 nan 0.000 0.452 3680 A N 0.756 123.642 122.820 0.109 0.000 1.933 3680 A HA -0.066 4.255 4.320 0.002 0.000 0.218 3680 A C 2.418 179.905 177.584 -0.162 0.000 1.175 3680 A CA 2.040 54.029 52.037 -0.079 0.000 0.628 3680 A CB -0.957 18.006 19.000 -0.062 0.000 0.814 3680 A HN 0.371 nan 8.150 nan 0.000 0.444 3681 A N -0.182 122.589 122.820 -0.082 0.000 1.902 3681 A HA -0.142 4.179 4.320 0.002 0.000 0.217 3681 A C 2.117 179.593 177.584 -0.181 0.000 1.181 3681 A CA 1.749 53.718 52.037 -0.112 0.000 0.623 3681 A CB -0.378 18.622 19.000 0.000 0.000 0.818 3681 A HN 0.556 nan 8.150 nan 0.000 0.443 3682 K N -0.339 119.951 120.400 -0.182 0.000 2.001 3682 K HA -0.034 4.287 4.320 0.002 0.000 0.208 3682 K C 1.840 178.332 176.600 -0.180 0.000 1.048 3682 K CA 1.502 57.660 56.287 -0.216 0.000 0.932 3682 K CB -0.435 31.873 32.500 -0.320 0.000 0.715 3682 K HN 0.494 nan 8.250 nan 0.000 0.437 3683 I N 1.638 122.097 120.570 -0.185 0.000 2.145 3683 I HA -0.362 3.809 4.170 0.002 0.000 0.244 3683 I C 2.306 178.306 176.117 -0.194 0.000 1.075 3683 I CA 1.631 62.827 61.300 -0.173 0.000 1.332 3683 I CB -0.299 37.586 38.000 -0.191 0.000 1.033 3683 I HN 0.280 nan 8.210 nan 0.000 0.410 3684 Q N -0.274 119.332 119.800 -0.323 0.000 2.398 3684 Q HA -0.084 4.257 4.340 0.002 0.000 0.204 3684 Q C 2.138 177.972 176.000 -0.276 0.000 0.932 3684 Q CA 0.454 55.993 55.803 -0.441 0.000 0.916 3684 Q CB 0.027 28.148 28.738 -1.029 0.000 1.024 3684 Q HN 0.390 nan 8.270 nan 0.000 0.504 3685 L N 1.149 122.266 121.223 -0.176 0.000 2.012 3685 L HA -0.150 4.192 4.340 0.002 0.000 0.210 3685 L C 2.176 179.076 176.870 0.051 0.000 1.073 3685 L CA 2.176 57.026 54.840 0.017 0.000 0.748 3685 L CB -0.791 41.282 42.059 0.022 0.000 0.891 3685 L HN 0.119 nan 8.230 nan 0.000 0.431 3686 A N -0.795 122.028 122.820 0.004 0.000 1.902 3686 A HA -0.228 4.093 4.320 0.002 0.000 0.217 3686 A C 2.163 179.776 177.584 0.049 0.000 1.181 3686 A CA 1.849 53.903 52.037 0.029 0.000 0.623 3686 A CB -0.660 18.337 19.000 -0.005 0.000 0.818 3686 A HN 0.635 nan 8.150 nan 0.000 0.443 3687 E N -0.938 119.279 120.200 0.028 0.000 2.150 3687 E HA -0.103 4.249 4.350 0.002 0.000 0.193 3687 E C 1.938 178.627 176.600 0.149 0.000 0.985 3687 E CA 1.431 57.870 56.400 0.065 0.000 0.814 3687 E CB -0.238 29.478 29.700 0.026 0.000 0.752 3687 E HN 0.591 nan 8.360 nan 0.000 0.466 3688 T N 0.546 115.201 114.554 0.169 0.000 2.904 3688 T HA -0.089 4.262 4.350 0.002 0.000 0.267 3688 T C 2.055 176.912 174.700 0.262 0.000 1.059 3688 T CA 0.650 62.912 62.100 0.270 0.000 1.137 3688 T CB -0.040 68.997 68.868 0.282 0.000 0.879 3688 T HN -0.024 nan 8.240 nan 0.000 0.467 3689 V N 2.161 122.182 119.914 0.178 0.000 2.261 3689 V HA -0.173 3.949 4.120 0.002 0.000 0.246 3689 V C 2.377 178.540 176.094 0.115 0.000 1.047 3689 V CA 1.744 64.128 62.300 0.140 0.000 1.015 3689 V CB -0.548 31.347 31.823 0.120 0.000 0.642 3689 V HN 0.416 nan 8.190 nan 0.000 0.446 3690 D N -0.270 120.200 120.400 0.118 0.000 2.116 3690 D HA -0.223 4.418 4.640 0.002 0.000 0.193 3690 D C 1.903 178.276 176.300 0.122 0.000 0.998 3690 D CA 1.595 55.655 54.000 0.101 0.000 0.836 3690 D CB -0.417 40.441 40.800 0.098 0.000 0.951 3690 D HN 0.470 nan 8.370 nan 0.000 0.449 3691 F N 1.513 121.485 119.950 0.036 0.000 2.095 3691 F HA -0.150 4.378 4.527 0.002 0.000 0.298 3691 F C 2.189 178.000 175.800 0.018 0.000 1.104 3691 F CA 1.053 59.069 58.000 0.027 0.000 1.232 3691 F CB -0.472 38.548 39.000 0.033 0.000 0.987 3691 F HN -0.124 nan 8.300 nan 0.000 0.475 3692 I N 0.494 120.939 120.570 -0.209 0.000 2.179 3692 I HA -0.364 3.807 4.170 0.002 0.000 0.242 3692 I C 2.142 178.128 176.117 -0.219 0.000 1.088 3692 I CA 1.429 62.552 61.300 -0.295 0.000 1.357 3692 I CB -0.635 37.335 38.000 -0.051 0.000 1.051 3692 I HN 0.211 nan 8.210 nan 0.000 0.409 3693 N N 0.767 119.407 118.700 -0.099 0.000 2.106 3693 N HA -0.125 4.616 4.740 0.002 0.000 0.188 3693 N C 1.927 177.385 175.510 -0.086 0.000 1.029 3693 N CA 1.163 54.173 53.050 -0.067 0.000 0.848 3693 N CB -0.364 38.114 38.487 -0.015 0.000 1.007 3693 N HN 0.302 nan 8.380 nan 0.000 0.423 3694 R N 0.838 121.291 120.500 -0.079 0.000 2.083 3694 R HA -0.041 4.300 4.340 0.002 0.000 0.237 3694 R C 2.159 178.389 176.300 -0.116 0.000 1.137 3694 R CA 1.349 57.413 56.100 -0.060 0.000 0.951 3694 R CB -0.426 29.875 30.300 0.002 0.000 0.851 3694 R HN 0.207 nan 8.270 nan 0.000 0.434 3695 A N 1.376 124.040 122.820 -0.260 0.000 1.908 3695 A HA -0.232 4.090 4.320 0.002 0.000 0.218 3695 A C 2.097 179.570 177.584 -0.184 0.000 1.181 3695 A CA 1.650 53.506 52.037 -0.301 0.000 0.627 3695 A CB -0.401 18.212 19.000 -0.643 0.000 0.818 3695 A HN 0.252 nan 8.150 nan 0.000 0.445 3696 K N -0.596 119.704 120.400 -0.166 0.000 2.057 3696 K HA -0.168 4.153 4.320 0.002 0.000 0.206 3696 K C 1.634 178.194 176.600 -0.068 0.000 1.050 3696 K CA 1.447 57.673 56.287 -0.102 0.000 0.935 3696 K CB -0.198 32.250 32.500 -0.085 0.000 0.715 3696 K HN 0.409 nan 8.250 nan 0.000 0.439 3697 N N 1.356 120.019 118.700 -0.061 0.000 2.223 3697 N HA -0.140 4.601 4.740 0.002 0.000 0.185 3697 N C 0.730 176.222 175.510 -0.029 0.000 1.016 3697 N CA 1.190 54.218 53.050 -0.037 0.000 0.863 3697 N CB 0.019 38.489 38.487 -0.028 0.000 0.983 3697 N HN 0.377 nan 8.380 nan 0.000 0.429 3698 E N -0.426 119.753 120.200 -0.035 0.000 2.465 3698 E HA 0.183 4.534 4.350 0.002 0.000 0.191 3698 E C 0.419 177.007 176.600 -0.020 0.000 1.053 3698 E CA -0.066 56.323 56.400 -0.019 0.000 0.869 3698 E CB 0.109 29.802 29.700 -0.010 0.000 0.977 3698 E HN 0.306 nan 8.360 nan 0.000 0.483 3699 G N 2.228 111.009 108.800 -0.032 0.000 2.221 3699 G HA2 -0.295 3.666 3.960 0.002 0.000 0.265 3699 G HA3 -0.295 3.666 3.960 0.002 0.000 0.265 3699 G C 0.166 175.049 174.900 -0.029 0.000 1.041 3699 G CA -0.031 45.053 45.100 -0.026 0.000 0.807 3699 G HN 0.261 nan 8.290 nan 0.000 0.502 3700 I N 0.340 120.879 120.570 -0.051 0.000 2.496 3700 I HA 0.182 4.353 4.170 0.002 0.000 0.285 3700 I C 1.056 177.137 176.117 -0.061 0.000 1.080 3700 I CA -0.675 60.588 61.300 -0.061 0.000 1.404 3700 I CB 0.907 38.855 38.000 -0.087 0.000 1.403 3700 I HN 0.260 nan 8.210 nan 0.000 0.539 3701 E N 9.831 130.001 120.200 -0.051 0.000 3.072 3701 E HA -0.120 4.231 4.350 0.002 0.000 0.241 3701 E C -1.962 174.617 176.600 -0.036 0.000 0.962 3701 E CA -0.589 55.795 56.400 -0.026 0.000 0.955 3701 E CB 0.535 30.205 29.700 -0.050 0.000 0.899 3701 E HN 0.288 nan 8.360 nan 0.000 0.547 3702 P HA -0.167 nan 4.420 nan 0.000 0.218 3702 P C 1.107 178.407 177.300 -0.000 0.000 1.149 3702 P CA 1.646 64.770 63.100 0.039 0.000 0.817 3702 P CB 0.055 31.841 31.700 0.143 0.000 0.785 3703 S N -1.326 114.343 115.700 -0.051 0.000 2.402 3703 S HA -0.096 4.375 4.470 0.002 0.000 0.229 3703 S C 1.909 176.377 174.600 -0.221 0.000 1.021 3703 S CA 1.288 59.353 58.200 -0.224 0.000 0.974 3703 S CB -1.593 61.285 63.200 -0.537 0.000 0.800 3703 S HN -0.028 nan 8.310 nan 0.000 0.484 3704 V N 1.517 121.302 119.914 -0.215 0.000 2.488 3704 V HA -0.038 4.083 4.120 0.002 0.000 0.246 3704 V C 2.643 178.559 176.094 -0.296 0.000 1.046 3704 V CA 1.180 63.307 62.300 -0.289 0.000 1.053 3704 V CB -0.637 31.005 31.823 -0.301 0.000 0.679 3704 V HN 0.434 nan 8.190 nan 0.000 0.458 3705 V N 1.313 121.110 119.914 -0.196 0.000 2.295 3705 V HA -0.204 3.917 4.120 0.002 0.000 0.246 3705 V C 2.685 178.701 176.094 -0.130 0.000 1.049 3705 V CA 2.338 64.565 62.300 -0.121 0.000 1.024 3705 V CB -1.464 30.256 31.823 -0.172 0.000 0.648 3705 V HN 0.595 nan 8.190 nan 0.000 0.447 3706 G N -0.488 108.196 108.800 -0.193 0.000 2.440 3706 G HA2 -0.227 3.734 3.960 0.002 0.000 0.218 3706 G HA3 -0.227 3.734 3.960 0.002 0.000 0.218 3706 G C 1.779 176.330 174.900 -0.581 0.000 1.154 3706 G CA 1.158 46.122 45.100 -0.227 0.000 0.767 3706 G HN 0.618 nan 8.290 nan 0.000 0.552 3707 A N 0.721 122.896 122.820 -1.076 0.000 1.865 3707 A HA 0.032 4.353 4.320 0.002 0.000 0.217 3707 A C 2.466 179.723 177.584 -0.545 0.000 1.191 3707 A CA 1.467 52.585 52.037 -1.531 0.000 0.623 3707 A CB -0.521 17.742 19.000 -1.229 0.000 0.826 3707 A HN 0.352 nan 8.150 nan 0.000 0.444 3708 L N -0.525 120.501 121.223 -0.329 0.000 2.046 3708 L HA -0.170 4.171 4.340 0.002 0.000 0.208 3708 L C 2.543 179.374 176.870 -0.065 0.000 1.077 3708 L CA 1.167 55.912 54.840 -0.158 0.000 0.747 3708 L CB -0.657 41.309 42.059 -0.156 0.000 0.896 3708 L HN 0.256 nan 8.230 nan 0.000 0.432 3709 V N -0.939 118.981 119.914 0.010 0.000 2.343 3709 V HA -0.336 3.785 4.120 0.002 0.000 0.247 3709 V C 2.237 178.357 176.094 0.043 0.000 1.051 3709 V CA 1.852 64.198 62.300 0.077 0.000 1.036 3709 V CB -0.692 31.202 31.823 0.118 0.000 0.654 3709 V HN 0.395 nan 8.190 nan 0.000 0.451 3710 Y N 0.798 121.033 120.300 -0.108 0.000 2.097 3710 Y HA -0.339 4.212 4.550 0.002 0.000 0.282 3710 Y C 2.813 178.714 175.900 0.002 0.000 1.152 3710 Y CA 2.532 60.608 58.100 -0.041 0.000 1.136 3710 Y CB -0.244 38.167 38.460 -0.082 0.000 0.975 3710 Y HN 0.266 nan 8.280 nan 0.000 0.498 3711 Q N 0.451 120.335 119.800 0.139 0.000 2.046 3711 Q HA -0.234 4.107 4.340 0.002 0.000 0.200 3711 Q C 2.435 178.345 176.000 -0.150 0.000 0.975 3711 Q CA 2.195 58.029 55.803 0.051 0.000 0.836 3711 Q CB -0.235 28.544 28.738 0.068 0.000 0.896 3711 Q HN 0.676 nan 8.270 nan 0.000 0.428 3712 R N -0.180 120.186 120.500 -0.224 0.000 2.073 3712 R HA -0.047 4.294 4.340 0.002 0.000 0.229 3712 R C 2.338 178.276 176.300 -0.603 0.000 1.120 3712 R CA 1.024 56.801 56.100 -0.538 0.000 0.967 3712 R CB -0.712 29.312 30.300 -0.460 0.000 0.862 3712 R HN 0.249 nan 8.270 nan 0.000 0.436 3713 L N 0.944 122.046 121.223 -0.202 0.000 2.079 3713 L HA -0.139 4.203 4.340 0.002 0.000 0.210 3713 L C 2.605 179.438 176.870 -0.062 0.000 1.081 3713 L CA 1.342 56.163 54.840 -0.033 0.000 0.752 3713 L CB -0.348 41.725 42.059 0.024 0.000 0.896 3713 L HN 0.224 nan 8.230 nan 0.000 0.433 3714 I N -0.506 119.983 120.570 -0.135 0.000 2.286 3714 I HA -0.228 3.943 4.170 0.002 0.000 0.245 3714 I C 2.749 178.920 176.117 0.090 0.000 1.104 3714 I CA 0.979 62.243 61.300 -0.060 0.000 1.397 3714 I CB -0.309 37.608 38.000 -0.138 0.000 1.072 3714 I HN 0.179 nan 8.210 nan 0.000 0.417 3715 A N 0.350 123.140 122.820 -0.050 0.000 1.933 3715 A HA -0.223 4.098 4.320 0.002 0.000 0.218 3715 A C 2.051 179.738 177.584 0.172 0.000 1.175 3715 A CA 1.623 53.663 52.037 0.005 0.000 0.628 3715 A CB -0.733 18.120 19.000 -0.245 0.000 0.814 3715 A HN 0.386 nan 8.150 nan 0.000 0.444 3716 Y N -1.168 119.208 120.300 0.126 0.000 2.206 3716 Y HA 0.349 4.900 4.550 0.002 0.000 0.292 3716 Y C 1.813 177.734 175.900 0.036 0.000 1.123 3716 Y CA -0.165 57.984 58.100 0.083 0.000 1.142 3716 Y CB -1.053 37.427 38.460 0.033 0.000 1.006 3716 Y HN 0.472 nan 8.280 nan 0.000 0.518 3717 A N 0.445 123.331 122.820 0.111 0.000 2.362 3717 A HA -0.191 4.130 4.320 0.002 0.000 0.290 3717 A C -1.785 175.746 177.584 -0.088 0.000 1.441 3717 A CA 0.565 52.541 52.037 -0.103 0.000 0.743 3717 A CB -1.745 16.915 19.000 -0.566 0.000 1.125 3717 A HN 0.331 nan 8.150 nan 0.000 0.378 3718 P HA 0.033 nan 4.420 nan 0.000 0.219 3718 P C 0.460 177.610 177.300 -0.250 0.000 1.150 3718 P CA 1.005 63.976 63.100 -0.215 0.000 0.814 3718 P CB 0.059 31.508 31.700 -0.420 0.000 0.787 3719 F N -1.064 118.877 119.950 -0.016 0.000 2.370 3719 F HA 0.458 4.986 4.527 0.001 0.000 0.324 3719 F C 1.924 177.678 175.800 -0.078 0.000 1.116 3719 F CA -0.748 57.187 58.000 -0.107 0.000 1.123 3719 F CB -0.117 38.764 39.000 -0.198 0.000 1.238 3719 F HN -0.206 nan 8.300 nan 0.000 0.536 3720 A N 0.257 123.158 122.820 0.136 0.000 2.019 3720 A HA -0.011 4.311 4.320 0.002 0.000 0.219 3720 A C 0.451 178.048 177.584 0.022 0.000 1.164 3720 A CA 1.635 53.709 52.037 0.061 0.000 0.644 3720 A CB -0.468 18.568 19.000 0.060 0.000 0.805 3720 A HN 0.769 nan 8.150 nan 0.000 0.449 3721 E N -5.128 115.088 120.200 0.027 0.000 2.423 3721 E HA 0.462 4.813 4.350 0.002 0.000 0.280 3721 E C 0.154 176.729 176.600 -0.041 0.000 1.030 3721 E CA 0.229 56.617 56.400 -0.019 0.000 0.812 3721 E CB 1.234 30.917 29.700 -0.029 0.000 1.313 3721 E HN 0.837 nan 8.360 nan 0.000 0.456 3722 G N 1.369 110.133 108.800 -0.060 0.000 2.160 3722 G HA2 -0.354 3.607 3.960 0.002 0.000 0.251 3722 G HA3 -0.354 3.607 3.960 0.002 0.000 0.251 3722 G C 0.442 175.294 174.900 -0.079 0.000 1.008 3722 G CA 0.924 45.972 45.100 -0.086 0.000 0.724 3722 G HN 0.558 nan 8.290 nan 0.000 0.514 3723 N N 0.055 118.732 118.700 -0.038 0.000 2.188 3723 N HA 0.072 4.813 4.740 0.002 0.000 0.184 3723 N C 2.473 177.962 175.510 -0.035 0.000 1.018 3723 N CA 1.591 54.638 53.050 -0.004 0.000 0.858 3723 N CB -0.268 38.189 38.487 -0.050 0.000 0.989 3723 N HN 0.469 nan 8.380 nan 0.000 0.426 3724 G N 0.942 109.718 108.800 -0.040 0.000 2.404 3724 G HA2 -0.218 3.743 3.960 0.002 0.000 0.215 3724 G HA3 -0.218 3.743 3.960 0.002 0.000 0.215 3724 G C 1.533 176.428 174.900 -0.008 0.000 1.174 3724 G CA 0.424 45.510 45.100 -0.023 0.000 0.780 3724 G HN 0.193 nan 8.290 nan 0.000 0.537 3725 R N -0.497 119.991 120.500 -0.020 0.000 2.083 3725 R HA -0.006 4.336 4.340 0.002 0.000 0.237 3725 R C 2.590 178.859 176.300 -0.053 0.000 1.137 3725 R CA 1.579 57.664 56.100 -0.026 0.000 0.951 3725 R CB -0.447 29.822 30.300 -0.051 0.000 0.851 3725 R HN 0.401 nan 8.270 nan 0.000 0.434 3726 M N 0.561 120.103 119.600 -0.097 0.000 2.117 3726 M HA -0.125 4.356 4.480 0.002 0.000 0.262 3726 M C 2.173 178.418 176.300 -0.091 0.000 1.065 3726 M CA 2.096 57.307 55.300 -0.149 0.000 1.114 3726 M CB -0.220 32.266 32.600 -0.189 0.000 1.361 3726 M HN 0.205 nan 8.290 nan 0.000 0.408 3727 A N 0.980 123.776 122.820 -0.039 0.000 1.902 3727 A HA -0.181 4.140 4.320 0.002 0.000 0.217 3727 A C 2.118 179.740 177.584 0.063 0.000 1.181 3727 A CA 1.773 53.802 52.037 -0.013 0.000 0.623 3727 A CB -0.665 18.279 19.000 -0.093 0.000 0.818 3727 A HN 0.640 nan 8.150 nan 0.000 0.443 3728 R N -0.764 119.794 120.500 0.097 0.000 2.092 3728 R HA -0.040 4.301 4.340 0.002 0.000 0.231 3728 R C 2.013 178.403 176.300 0.151 0.000 1.119 3728 R CA 1.279 57.506 56.100 0.211 0.000 0.970 3728 R CB -0.492 29.942 30.300 0.224 0.000 0.864 3728 R HN 0.397 nan 8.270 nan 0.000 0.440 3729 V N 1.458 121.409 119.914 0.062 0.000 2.295 3729 V HA -0.236 3.885 4.120 0.002 0.000 0.246 3729 V C 2.256 178.411 176.094 0.101 0.000 1.049 3729 V CA 1.737 64.067 62.300 0.050 0.000 1.024 3729 V CB -0.363 31.420 31.823 -0.068 0.000 0.648 3729 V HN 0.253 nan 8.190 nan 0.000 0.447 3730 I N -0.413 120.171 120.570 0.024 0.000 2.179 3730 I HA -0.212 3.959 4.170 0.002 0.000 0.242 3730 I C 2.431 178.652 176.117 0.173 0.000 1.088 3730 I CA 1.247 62.620 61.300 0.122 0.000 1.357 3730 I CB -0.504 37.526 38.000 0.051 0.000 1.051 3730 I HN 0.134 nan 8.210 nan 0.000 0.409 3731 V N 1.354 121.364 119.914 0.159 0.000 2.287 3731 V HA -0.296 3.825 4.120 0.002 0.000 0.248 3731 V C 2.109 178.315 176.094 0.188 0.000 1.053 3731 V CA 2.049 64.455 62.300 0.177 0.000 1.027 3731 V CB -0.782 31.194 31.823 0.255 0.000 0.646 3731 V HN 0.468 nan 8.190 nan 0.000 0.447 3732 N N -0.148 118.672 118.700 0.199 0.000 2.396 3732 N HA -0.128 4.613 4.740 0.002 0.000 0.180 3732 N C 1.786 177.393 175.510 0.162 0.000 1.028 3732 N CA 1.062 54.223 53.050 0.184 0.000 0.893 3732 N CB -0.273 38.315 38.487 0.168 0.000 0.967 3732 N HN 0.574 nan 8.380 nan 0.000 0.440 3733 K N 1.328 121.837 120.400 0.183 0.000 2.026 3733 K HA -0.033 4.288 4.320 0.002 0.000 0.208 3733 K C 1.908 178.575 176.600 0.112 0.000 1.048 3733 K CA 0.912 57.291 56.287 0.154 0.000 0.929 3733 K CB -0.119 32.511 32.500 0.216 0.000 0.713 3733 K HN 0.035 nan 8.250 nan 0.000 0.439 3734 I N 1.345 121.988 120.570 0.122 0.000 2.163 3734 I HA -0.328 3.843 4.170 0.002 0.000 0.243 3734 I C 2.300 178.492 176.117 0.124 0.000 1.085 3734 I CA 1.275 62.630 61.300 0.091 0.000 1.347 3734 I CB -0.293 37.749 38.000 0.070 0.000 1.044 3734 I HN 0.217 nan 8.210 nan 0.000 0.408 3735 L N 0.065 121.389 121.223 0.167 0.000 2.023 3735 L HA -0.180 4.161 4.340 0.002 0.000 0.205 3735 L C 2.535 179.527 176.870 0.202 0.000 1.073 3735 L CA 1.244 56.235 54.840 0.252 0.000 0.745 3735 L CB -0.573 41.636 42.059 0.249 0.000 0.900 3735 L HN 0.242 nan 8.230 nan 0.000 0.435 3736 L N -0.449 120.853 121.223 0.132 0.000 2.131 3736 L HA -0.208 4.133 4.340 0.002 0.000 0.210 3736 L C 2.100 178.984 176.870 0.024 0.000 1.092 3736 L CA 0.910 55.794 54.840 0.073 0.000 0.759 3736 L CB -0.747 41.351 42.059 0.065 0.000 0.903 3736 L HN 0.291 nan 8.230 nan 0.000 0.435 3737 D N 0.597 121.014 120.400 0.029 0.000 2.178 3737 D HA -0.129 4.512 4.640 0.002 0.000 0.201 3737 D C 1.961 178.237 176.300 -0.040 0.000 0.980 3737 D CA 1.410 55.406 54.000 -0.006 0.000 0.842 3737 D CB 0.143 40.944 40.800 0.000 0.000 0.948 3737 D HN 0.309 nan 8.370 nan 0.000 0.472 3738 A N -0.873 121.919 122.820 -0.046 0.000 2.275 3738 A HA 0.480 4.801 4.320 0.002 0.000 0.212 3738 A C 1.661 179.012 177.584 -0.388 0.000 1.201 3738 A CA 0.847 52.782 52.037 -0.170 0.000 0.843 3738 A CB 0.034 18.987 19.000 -0.077 0.000 0.873 3738 A HN 0.206 nan 8.150 nan 0.000 0.492 3739 G N -1.995 106.662 108.800 -0.238 0.000 2.141 3739 G HA2 -0.274 3.687 3.960 0.002 0.000 0.242 3739 G HA3 -0.274 3.687 3.960 0.002 0.000 0.242 3739 G C -0.067 174.697 174.900 -0.226 0.000 0.982 3739 G CA 0.329 45.291 45.100 -0.230 0.000 0.662 3739 G HN 0.382 nan 8.290 nan 0.000 0.527 3740 Y N 0.519 120.829 120.300 0.017 0.000 2.326 3740 Y HA 0.540 5.091 4.550 0.002 0.000 0.324 3740 Y C -1.500 174.413 175.900 0.022 0.000 1.291 3740 Y CA -2.336 55.778 58.100 0.023 0.000 1.348 3740 Y CB 0.368 38.852 38.460 0.041 0.000 1.294 3740 Y HN -0.013 nan 8.280 nan 0.000 0.525 3741 P HA 0.208 nan 4.420 nan 0.000 0.272 3741 P C -1.133 176.226 177.300 0.098 0.000 1.240 3741 P CA -0.426 62.732 63.100 0.097 0.000 0.791 3741 P CB 0.507 32.235 31.700 0.046 0.000 0.978 3742 A N 1.570 124.424 122.820 0.057 0.000 2.388 3742 A HA 0.361 4.682 4.320 0.002 0.000 0.257 3742 A C -0.495 177.107 177.584 0.031 0.000 1.095 3742 A CA -0.106 51.974 52.037 0.071 0.000 0.791 3742 A CB -0.593 18.436 19.000 0.048 0.000 1.029 3742 A HN 0.501 nan 8.150 nan 0.000 0.489 3743 F N 1.840 121.734 119.950 -0.094 0.000 2.385 3743 F HA 0.445 4.973 4.527 0.002 0.000 0.336 3743 F C 1.416 177.122 175.800 -0.156 0.000 1.100 3743 F CA 0.716 58.570 58.000 -0.243 0.000 1.116 3743 F CB 1.636 40.420 39.000 -0.360 0.000 1.166 3743 F HN 0.797 nan 8.300 nan 0.000 0.511 3744 T N 1.352 115.491 114.554 -0.692 0.000 3.507 3744 T HA 0.439 4.790 4.350 0.002 0.000 0.197 3744 T C -0.074 174.465 174.700 -0.267 0.000 0.847 3744 T CA -0.193 61.702 62.100 -0.343 0.000 1.531 3744 T CB 0.097 68.775 68.868 -0.317 0.000 1.834 3744 T HN 0.470 nan 8.240 nan 0.000 0.433 3745 K N -0.430 119.711 120.400 -0.431 0.000 2.409 3745 K HA 0.623 4.945 4.320 0.002 0.000 0.252 3745 K C -1.207 175.210 176.600 -0.305 0.000 1.036 3745 K CA -0.880 55.346 56.287 -0.102 0.000 0.871 3745 K CB 1.688 34.247 32.500 0.099 0.000 1.374 3745 K HN 0.168 nan 8.250 nan 0.000 0.459 3746 F N 0.963 121.021 119.950 0.179 0.000 2.390 3746 F HA 0.095 4.623 4.527 0.002 0.000 0.307 3746 F C 1.422 177.283 175.800 0.103 0.000 1.227 3746 F CA -0.033 58.073 58.000 0.177 0.000 1.179 3746 F CB 0.569 39.827 39.000 0.429 0.000 1.280 3746 F HN 0.493 nan 8.300 nan 0.000 0.548 3747 S N -0.039 115.865 115.700 0.340 0.000 2.580 3747 S HA 0.003 4.474 4.470 0.002 0.000 0.266 3747 S C 0.631 175.361 174.600 0.218 0.000 1.354 3747 S CA -0.633 57.686 58.200 0.199 0.000 1.008 3747 S CB 0.550 63.844 63.200 0.157 0.000 0.898 3747 S HN 0.558 nan 8.310 nan 0.000 0.555 3748 D N 1.374 121.856 120.400 0.137 0.000 2.182 3748 D HA -0.085 4.556 4.640 0.002 0.000 0.201 3748 D C 1.714 178.082 176.300 0.112 0.000 0.986 3748 D CA 1.601 55.670 54.000 0.115 0.000 0.847 3748 D CB -0.247 40.597 40.800 0.074 0.000 0.942 3748 D HN 0.775 nan 8.370 nan 0.000 0.467 3749 E N -0.480 119.795 120.200 0.126 0.000 2.112 3749 E HA -0.017 4.334 4.350 0.002 0.000 0.190 3749 E C 1.683 178.358 176.600 0.126 0.000 0.979 3749 E CA 0.281 56.746 56.400 0.108 0.000 0.814 3749 E CB -0.319 29.445 29.700 0.106 0.000 0.762 3749 E HN 0.283 nan 8.360 nan 0.000 0.460 3750 F N 1.178 121.146 119.950 0.030 0.000 2.387 3750 F HA 0.037 4.565 4.527 0.002 0.000 0.294 3750 F C 2.164 177.923 175.800 -0.068 0.000 1.093 3750 F CA 0.712 58.692 58.000 -0.033 0.000 1.420 3750 F CB 0.324 39.301 39.000 -0.038 0.000 1.086 3750 F HN -0.112 nan 8.300 nan 0.000 0.531 3751 E N 1.097 121.376 120.200 0.132 0.000 2.086 3751 E HA -0.222 4.129 4.350 0.002 0.000 0.200 3751 E C -0.903 175.657 176.600 -0.067 0.000 1.012 3751 E CA 2.037 58.511 56.400 0.124 0.000 0.812 3751 E CB -1.292 28.567 29.700 0.266 0.000 0.743 3751 E HN 0.220 nan 8.360 nan 0.000 0.453 3752 P HA -0.056 nan 4.420 nan 0.000 0.239 3752 P C 0.204 177.380 177.300 -0.207 0.000 1.184 3752 P CA 1.000 64.034 63.100 -0.110 0.000 0.760 3752 P CB 0.066 31.725 31.700 -0.069 0.000 0.884 3753 Q N -0.689 118.891 119.800 -0.368 0.000 2.408 3753 Q HA 0.116 4.457 4.340 0.002 0.000 0.205 3753 Q C 1.857 177.577 176.000 -0.467 0.000 0.919 3753 Q CA 0.349 55.879 55.803 -0.455 0.000 0.932 3753 Q CB -0.189 28.154 28.738 -0.659 0.000 1.058 3753 Q HN 0.411 nan 8.270 nan 0.000 0.517 3754 I N -1.551 118.757 120.570 -0.437 0.000 3.419 3754 I HA 0.184 4.355 4.170 0.002 0.000 0.286 3754 I C 0.742 176.761 176.117 -0.162 0.000 1.268 3754 I CA 0.130 61.252 61.300 -0.297 0.000 1.414 3754 I CB 0.205 38.086 38.000 -0.199 0.000 1.074 3754 I HN -0.036 nan 8.210 nan 0.000 0.457 3755 I N -2.338 118.135 120.570 -0.162 0.000 2.969 3755 I HA 0.695 4.866 4.170 0.002 0.000 0.307 3755 I C -2.925 173.096 176.117 -0.161 0.000 1.149 3755 I CA -2.612 58.600 61.300 -0.146 0.000 1.008 3755 I CB 1.559 39.473 38.000 -0.143 0.000 1.232 3755 I HN -0.301 nan 8.210 nan 0.000 0.435 3756 P HA 0.127 nan 4.420 nan 0.000 0.267 3756 P C -1.280 175.925 177.300 -0.158 0.000 1.200 3756 P CA 0.049 63.071 63.100 -0.130 0.000 0.772 3756 P CB 0.418 32.058 31.700 -0.100 0.000 0.855 3757 Q N 0.275 119.999 119.800 -0.127 0.000 2.413 3757 Q HA 0.280 4.621 4.340 0.002 0.000 0.276 3757 Q C 0.862 176.807 176.000 -0.090 0.000 1.099 3757 Q CA -0.392 55.337 55.803 -0.124 0.000 0.814 3757 Q CB 1.375 30.050 28.738 -0.105 0.000 1.379 3757 Q HN 0.481 nan 8.270 nan 0.000 0.436 3758 T N -2.827 111.679 114.554 -0.082 0.000 3.113 3758 T HA 0.105 4.456 4.350 0.002 0.000 0.256 3758 T C 0.502 175.178 174.700 -0.040 0.000 1.131 3758 T CA 0.361 62.429 62.100 -0.053 0.000 1.074 3758 T CB 0.252 69.095 68.868 -0.042 0.000 0.944 3758 T HN 0.233 nan 8.240 nan 0.000 0.516 3759 K N 0.891 121.264 120.400 -0.045 0.000 2.248 3759 K HA 0.634 4.955 4.320 0.002 0.000 0.281 3759 K C 1.322 177.901 176.600 -0.035 0.000 1.054 3759 K CA -0.252 56.014 56.287 -0.034 0.000 0.903 3759 K CB 0.907 33.388 32.500 -0.032 0.000 1.077 3759 K HN 0.116 nan 8.250 nan 0.000 0.474 3760 A N 2.685 125.489 122.820 -0.026 0.000 1.908 3760 A HA -0.191 4.130 4.320 0.002 0.000 0.218 3760 A C 1.907 179.475 177.584 -0.027 0.000 1.181 3760 A CA 2.284 54.306 52.037 -0.025 0.000 0.627 3760 A CB -0.579 18.410 19.000 -0.018 0.000 0.818 3760 A HN 0.833 nan 8.150 nan 0.000 0.445 3761 S N -0.969 114.716 115.700 -0.024 0.000 2.428 3761 S HA -0.016 4.455 4.470 0.002 0.000 0.230 3761 S C 0.908 175.491 174.600 -0.029 0.000 1.014 3761 S CA 0.896 59.083 58.200 -0.022 0.000 0.957 3761 S CB -1.002 62.188 63.200 -0.016 0.000 0.784 3761 S HN 0.390 nan 8.310 nan 0.000 0.499 3762 T N 3.737 118.268 114.554 -0.038 0.000 2.867 3762 T HA 0.167 4.518 4.350 0.002 0.000 0.297 3762 T C 0.194 174.857 174.700 -0.062 0.000 0.989 3762 T CA 0.100 62.170 62.100 -0.050 0.000 1.159 3762 T CB 0.376 69.206 68.868 -0.062 0.000 0.928 3762 T HN 0.387 nan 8.240 nan 0.000 0.538 3763 K N 1.884 122.246 120.400 -0.064 0.000 2.230 3763 K HA 0.348 4.670 4.320 0.002 0.000 0.253 3763 K C 0.425 176.958 176.600 -0.111 0.000 1.008 3763 K CA -0.310 55.934 56.287 -0.071 0.000 0.910 3763 K CB 0.442 32.909 32.500 -0.055 0.000 0.994 3763 K HN 0.508 nan 8.250 nan 0.000 0.495 3764 S N 0.174 115.811 115.700 -0.105 0.000 2.647 3764 S HA 0.573 5.044 4.470 0.002 0.000 0.300 3764 S C -1.298 173.227 174.600 -0.126 0.000 1.129 3764 S CA -0.761 57.361 58.200 -0.130 0.000 1.029 3764 S CB 1.101 64.243 63.200 -0.097 0.000 1.007 3764 S HN 0.619 nan 8.310 nan 0.000 0.484 3765 A N 3.498 126.205 122.820 -0.188 0.000 2.306 3765 A HA 0.746 5.067 4.320 0.002 0.000 0.314 3765 A C 0.667 178.204 177.584 -0.079 0.000 1.164 3765 A CA -0.476 51.484 52.037 -0.127 0.000 0.822 3765 A CB 0.511 19.380 19.000 -0.218 0.000 1.130 3765 A HN 1.042 nan 8.150 nan 0.000 0.496 3766 T N -0.449 114.092 114.554 -0.021 0.000 2.828 3766 T HA 0.248 4.599 4.350 0.002 0.000 0.290 3766 T C 1.395 176.106 174.700 0.018 0.000 1.019 3766 T CA 0.355 62.446 62.100 -0.016 0.000 1.031 3766 T CB 1.018 69.878 68.868 -0.013 0.000 1.001 3766 T HN 0.825 nan 8.240 nan 0.000 0.531 3767 S N 0.944 116.655 115.700 0.018 0.000 2.365 3767 S HA -0.191 4.280 4.470 0.002 0.000 0.225 3767 S C 2.248 176.953 174.600 0.175 0.000 1.039 3767 S CA 2.136 60.386 58.200 0.083 0.000 1.033 3767 S CB -1.177 62.081 63.200 0.097 0.000 0.887 3767 S HN 0.956 nan 8.310 nan 0.000 0.447 3768 S N 0.671 116.442 115.700 0.119 0.000 2.402 3768 S HA -0.012 4.459 4.470 0.002 0.000 0.229 3768 S C 1.689 176.384 174.600 0.158 0.000 1.021 3768 S CA 1.055 59.352 58.200 0.162 0.000 0.974 3768 S CB -0.651 62.483 63.200 -0.112 0.000 0.800 3768 S HN 0.677 nan 8.310 nan 0.000 0.484 3769 E N 0.824 121.096 120.200 0.121 0.000 2.153 3769 E HA -0.055 4.296 4.350 0.002 0.000 0.194 3769 E C 1.993 178.733 176.600 0.234 0.000 0.988 3769 E CA 1.129 57.620 56.400 0.152 0.000 0.811 3769 E CB -0.268 29.518 29.700 0.144 0.000 0.746 3769 E HN 0.414 nan 8.360 nan 0.000 0.466 3770 V N 0.584 120.646 119.914 0.248 0.000 2.453 3770 V HA -0.198 3.923 4.120 0.002 0.000 0.247 3770 V C 2.265 178.553 176.094 0.322 0.000 1.048 3770 V CA 1.086 63.574 62.300 0.314 0.000 1.049 3770 V CB -0.196 31.743 31.823 0.193 0.000 0.672 3770 V HN 0.131 nan 8.190 nan 0.000 0.457 3771 V N -0.254 119.794 119.914 0.225 0.000 2.295 3771 V HA -0.227 3.894 4.120 0.002 0.000 0.246 3771 V C 2.434 178.645 176.094 0.195 0.000 1.049 3771 V CA 1.892 64.287 62.300 0.157 0.000 1.024 3771 V CB -0.464 31.425 31.823 0.109 0.000 0.648 3771 V HN 0.390 nan 8.190 nan 0.000 0.447 3772 V N 0.006 120.018 119.914 0.164 0.000 2.233 3772 V HA -0.317 3.804 4.120 0.002 0.000 0.247 3772 V C 2.570 178.722 176.094 0.098 0.000 1.050 3772 V CA 2.484 64.850 62.300 0.110 0.000 1.010 3772 V CB -0.659 31.213 31.823 0.081 0.000 0.637 3772 V HN 0.617 nan 8.190 nan 0.000 0.444 3773 E N -0.139 120.097 120.200 0.060 0.000 2.097 3773 E HA -0.276 4.075 4.350 0.002 0.000 0.196 3773 E C 1.900 178.653 176.600 0.254 0.000 1.000 3773 E CA 1.858 58.230 56.400 -0.047 0.000 0.804 3773 E CB -0.483 28.825 29.700 -0.653 0.000 0.740 3773 E HN 0.549 nan 8.360 nan 0.000 0.454 3774 F N 0.367 120.495 119.950 0.297 0.000 2.095 3774 F HA -0.173 4.355 4.527 0.002 0.000 0.298 3774 F C 1.860 177.673 175.800 0.021 0.000 1.104 3774 F CA 1.618 59.698 58.000 0.134 0.000 1.232 3774 F CB -0.152 38.826 39.000 -0.037 0.000 0.987 3774 F HN 0.036 nan 8.300 nan 0.000 0.475 3775 L N 0.089 121.461 121.223 0.250 0.000 2.046 3775 L HA -0.242 4.099 4.340 0.002 0.000 0.208 3775 L C 2.412 179.278 176.870 -0.007 0.000 1.077 3775 L CA 1.548 56.445 54.840 0.094 0.000 0.747 3775 L CB -0.738 41.361 42.059 0.065 0.000 0.896 3775 L HN 0.095 nan 8.230 nan 0.000 0.432 3776 K N -0.322 120.078 120.400 0.001 0.000 2.057 3776 K HA -0.168 4.153 4.320 0.002 0.000 0.207 3776 K C 2.094 178.646 176.600 -0.079 0.000 1.049 3776 K CA 1.108 57.374 56.287 -0.036 0.000 0.931 3776 K CB -0.067 32.410 32.500 -0.037 0.000 0.714 3776 K HN 0.243 nan 8.250 nan 0.000 0.440 3777 E N 0.853 120.989 120.200 -0.107 0.000 2.072 3777 E HA -0.167 4.184 4.350 0.002 0.000 0.191 3777 E C 2.033 178.483 176.600 -0.249 0.000 0.985 3777 E CA 0.780 57.054 56.400 -0.209 0.000 0.801 3777 E CB -0.155 29.355 29.700 -0.317 0.000 0.750 3777 E HN 0.125 nan 8.360 nan 0.000 0.452 3778 L N 0.821 121.913 121.223 -0.217 0.000 2.141 3778 L HA -0.055 4.286 4.340 0.002 0.000 0.209 3778 L C 2.150 178.953 176.870 -0.112 0.000 1.094 3778 L CA 1.627 56.361 54.840 -0.177 0.000 0.763 3778 L CB -0.602 41.362 42.059 -0.159 0.000 0.908 3778 L HN 0.017 nan 8.230 nan 0.000 0.437 3779 A N -1.138 121.629 122.820 -0.089 0.000 2.015 3779 A HA -0.169 4.152 4.320 0.002 0.000 0.219 3779 A C 2.186 179.736 177.584 -0.057 0.000 1.163 3779 A CA 1.335 53.340 52.037 -0.053 0.000 0.646 3779 A CB -0.412 18.565 19.000 -0.038 0.000 0.806 3779 A HN 0.459 nan 8.150 nan 0.000 0.448 3780 K N -0.354 119.995 120.400 -0.086 0.000 2.486 3780 K HA 0.010 4.331 4.320 0.002 0.000 0.194 3780 K C 1.387 177.933 176.600 -0.090 0.000 1.033 3780 K CA 0.203 56.440 56.287 -0.084 0.000 1.004 3780 K CB 0.100 32.539 32.500 -0.101 0.000 0.798 3780 K HN 0.136 nan 8.250 nan 0.000 0.495 3781 K N 0.319 120.660 120.400 -0.098 0.000 2.074 3781 K HA -0.117 4.204 4.320 0.002 0.000 0.209 3781 K C 1.997 178.557 176.600 -0.066 0.000 1.048 3781 K CA 1.602 57.830 56.287 -0.100 0.000 0.926 3781 K CB -0.538 31.907 32.500 -0.092 0.000 0.713 3781 K HN 0.312 nan 8.250 nan 0.000 0.444 3782 G N 0.989 109.763 108.800 -0.043 0.000 2.880 3782 G HA2 -0.064 3.897 3.960 0.002 0.000 0.209 3782 G HA3 -0.064 3.897 3.960 0.002 0.000 0.209 3782 G C 0.655 175.536 174.900 -0.032 0.000 1.157 3782 G CA 0.379 45.460 45.100 -0.032 0.000 0.779 3782 G HN 0.389 nan 8.290 nan 0.000 0.539 3783 S N -0.224 115.453 115.700 -0.039 0.000 2.641 3783 S HA 0.114 4.585 4.470 0.002 0.000 0.251 3783 S C 1.514 176.095 174.600 -0.032 0.000 1.332 3783 S CA 0.484 58.664 58.200 -0.034 0.000 0.968 3783 S CB 1.095 64.272 63.200 -0.039 0.000 0.987 3783 S HN 0.218 nan 8.310 nan 0.000 0.587 3784 K N 0.426 120.809 120.400 -0.027 0.000 2.057 3784 K HA -0.106 4.215 4.320 0.002 0.000 0.206 3784 K C 2.087 178.669 176.600 -0.029 0.000 1.050 3784 K CA 1.576 57.848 56.287 -0.025 0.000 0.935 3784 K CB -0.305 32.183 32.500 -0.020 0.000 0.715 3784 K HN 0.754 nan 8.250 nan 0.000 0.439 3785 E N 0.933 121.113 120.200 -0.033 0.000 2.072 3785 E HA -0.121 4.230 4.350 0.002 0.000 0.191 3785 E C -0.029 176.542 176.600 -0.048 0.000 0.985 3785 E CA 0.884 57.261 56.400 -0.038 0.000 0.801 3785 E CB -0.404 29.272 29.700 -0.041 0.000 0.750 3785 E HN 0.585 nan 8.360 nan 0.000 0.452 3786 D N 0.000 120.367 120.400 -0.056 0.000 6.856 3786 D HA 0.000 4.641 4.640 0.002 0.000 0.175 3786 D CA 0.000 53.960 54.000 -0.067 0.000 0.868 3786 D CB 0.000 40.768 40.800 -0.053 0.000 0.688 3786 D HN 0.000 nan 8.370 nan 0.000 0.683