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 2zle_1_J DATA FIRST_RESID 3515 DATA SEQUENCE QMPSLAPMLE KVMPSVVSIN VEGSTTVNTP RMPRNFQQFF GGQQQKFMAL DATA SEQUENCE GSGVIIDADK GYVVTNNHVV DNATVIKVQL SDGRKFDAKM VGKDPRSDIA DATA SEQUENCE LIQIQNPKNL TAIKMADSDA LRVGDYTVAI GNPFGLGETV TSGIVSALGR DATA SEQUENCE ENFIQTDAAI NRGNSGGALV NLNGELIGIN TAILAPDGGN IGIGFAIPSN DATA SEQUENCE MVKNLTSQMV EYGQVKRGEL GIMGTELNSE LAKAMKVDAQ RGAFVSQVLP DATA SEQUENCE NSSAAKAGIK AGDVITSLNG KPISSFAALR AQVGTMPVGS KLTLGLLRDG DATA SEQUENCE KQVNVNLELQ QSSQNQVDSS SIFNEMSNKG KDQGVVVNNV KTGTPAAQIG DATA SEQUENCE LKKGDVIIGA NQQAVKNIAE LRKVLDSKPS VLALNIQRGD STIYLL 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 3515 Q HA 0.000 nan 4.340 nan 0.000 0.214 3515 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 3515 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 3515 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 3516 M N 0.951 120.547 119.600 -0.008 0.000 2.472 3516 M HA 0.826 5.307 4.480 0.002 0.000 0.331 3516 M C -2.104 174.187 176.300 -0.015 0.000 1.170 3516 M CA -1.840 53.454 55.300 -0.011 0.000 1.009 3516 M CB 0.281 32.875 32.600 -0.010 0.000 1.672 3516 M HN 0.174 nan 8.290 nan 0.000 0.453 3517 P HA 0.305 nan 4.420 nan 0.000 0.269 3517 P C -0.959 176.323 177.300 -0.029 0.000 1.215 3517 P CA -0.222 62.861 63.100 -0.028 0.000 0.780 3517 P CB 0.758 32.434 31.700 -0.038 0.000 0.898 3518 S N 0.125 115.806 115.700 -0.031 0.000 2.543 3518 S HA 0.279 4.750 4.470 0.002 0.000 0.274 3518 S C 0.114 174.696 174.600 -0.030 0.000 1.149 3518 S CA -0.680 57.502 58.200 -0.028 0.000 0.866 3518 S CB 0.455 63.644 63.200 -0.017 0.000 1.111 3518 S HN 0.301 nan 8.310 nan 0.000 0.457 3519 L N 3.018 124.224 121.223 -0.030 0.000 2.558 3519 L HA 0.242 4.583 4.340 0.002 0.000 0.225 3519 L C 2.528 179.392 176.870 -0.011 0.000 1.128 3519 L CA 0.771 55.596 54.840 -0.025 0.000 0.868 3519 L CB -0.524 41.519 42.059 -0.027 0.000 1.006 3519 L HN 0.824 nan 8.230 nan 0.000 0.454 3520 A N 1.238 124.053 122.820 -0.009 0.000 1.940 3520 A HA -0.119 4.202 4.320 0.002 0.000 0.219 3520 A C -0.122 177.462 177.584 -0.001 0.000 1.176 3520 A CA 1.528 53.563 52.037 -0.003 0.000 0.631 3520 A CB -1.465 17.534 19.000 -0.002 0.000 0.814 3520 A HN 0.258 nan 8.150 nan 0.000 0.446 3521 P HA -0.147 nan 4.420 nan 0.000 0.217 3521 P C 1.687 178.987 177.300 0.000 0.000 1.150 3521 P CA 1.765 64.864 63.100 -0.001 0.000 0.832 3521 P CB -0.142 31.556 31.700 -0.003 0.000 0.787 3522 M N -2.927 116.672 119.600 -0.000 0.000 2.394 3522 M HA 0.079 4.560 4.480 0.002 0.000 0.266 3522 M C 1.692 177.995 176.300 0.005 0.000 1.098 3522 M CA 1.780 57.082 55.300 0.003 0.000 1.149 3522 M CB -1.672 30.930 32.600 0.003 0.000 1.369 3522 M HN -0.233 nan 8.290 nan 0.000 0.450 3523 L N 0.496 121.721 121.223 0.005 0.000 2.127 3523 L HA -0.160 4.181 4.340 0.002 0.000 0.211 3523 L C 2.282 179.158 176.870 0.009 0.000 1.089 3523 L CA 1.566 56.411 54.840 0.008 0.000 0.757 3523 L CB -0.876 41.188 42.059 0.008 0.000 0.899 3523 L HN 0.481 nan 8.230 nan 0.000 0.434 3524 E N 0.048 120.252 120.200 0.007 0.000 2.204 3524 E HA -0.185 4.166 4.350 0.002 0.000 0.194 3524 E C 1.841 178.446 176.600 0.008 0.000 0.989 3524 E CA 0.798 57.203 56.400 0.008 0.000 0.824 3524 E CB 0.113 29.817 29.700 0.007 0.000 0.756 3524 E HN 0.457 nan 8.360 nan 0.000 0.477 3525 K N -0.019 120.386 120.400 0.007 0.000 2.426 3525 K HA 0.049 4.370 4.320 0.002 0.000 0.193 3525 K C 1.599 178.204 176.600 0.008 0.000 1.028 3525 K CA 0.194 56.485 56.287 0.007 0.000 1.047 3525 K CB 0.759 33.263 32.500 0.006 0.000 0.821 3525 K HN -0.026 nan 8.250 nan 0.000 0.513 3526 V N 0.738 120.658 119.914 0.009 0.000 2.690 3526 V HA -0.101 4.020 4.120 0.002 0.000 0.240 3526 V C 2.038 178.139 176.094 0.012 0.000 1.078 3526 V CA 0.696 63.003 62.300 0.011 0.000 1.102 3526 V CB -0.099 31.731 31.823 0.012 0.000 0.800 3526 V HN 0.218 nan 8.190 nan 0.000 0.479 3527 M N 0.163 119.771 119.600 0.013 0.000 2.146 3527 M HA -0.173 4.308 4.480 0.002 0.000 0.256 3527 M C -0.122 176.187 176.300 0.016 0.000 1.075 3527 M CA 2.174 57.484 55.300 0.016 0.000 1.082 3527 M CB -2.510 30.100 32.600 0.018 0.000 1.355 3527 M HN 0.265 nan 8.290 nan 0.000 0.402 3528 P HA -0.048 nan 4.420 nan 0.000 0.223 3528 P C 1.160 178.465 177.300 0.007 0.000 1.144 3528 P CA 1.085 64.193 63.100 0.014 0.000 0.783 3528 P CB -0.057 31.650 31.700 0.012 0.000 0.771 3529 S N -1.560 114.143 115.700 0.006 0.000 2.524 3529 S HA 0.066 4.537 4.470 0.002 0.000 0.216 3529 S C 0.816 175.418 174.600 0.004 0.000 0.987 3529 S CA 0.082 58.283 58.200 0.001 0.000 0.909 3529 S CB -0.089 63.112 63.200 0.002 0.000 0.781 3529 S HN -0.063 nan 8.310 nan 0.000 0.521 3530 V N 3.392 123.312 119.914 0.011 0.000 2.465 3530 V HA 0.466 4.587 4.120 0.002 0.000 0.279 3530 V C 0.185 176.290 176.094 0.018 0.000 1.045 3530 V CA -0.565 61.743 62.300 0.014 0.000 0.938 3530 V CB 1.200 33.034 31.823 0.018 0.000 0.986 3530 V HN 0.242 nan 8.190 nan 0.000 0.467 3531 V N 2.613 122.537 119.914 0.017 0.000 3.103 3531 V HA 0.842 4.963 4.120 0.002 0.000 0.318 3531 V C -0.125 175.986 176.094 0.028 0.000 1.114 3531 V CA -0.491 61.825 62.300 0.026 0.000 1.020 3531 V CB 2.393 34.227 31.823 0.019 0.000 1.085 3531 V HN 0.733 nan 8.190 nan 0.000 0.446 3532 S N 1.546 117.269 115.700 0.038 0.000 2.638 3532 S HA 0.829 5.301 4.470 0.002 0.000 0.298 3532 S C -0.514 174.109 174.600 0.038 0.000 1.111 3532 S CA -0.560 57.662 58.200 0.036 0.000 1.027 3532 S CB 1.320 64.544 63.200 0.041 0.000 1.064 3532 S HN 0.722 nan 8.310 nan 0.000 0.525 3533 I N 2.016 122.605 120.570 0.032 0.000 2.534 3533 I HA 0.363 4.534 4.170 0.002 0.000 0.288 3533 I C -1.240 174.897 176.117 0.034 0.000 1.077 3533 I CA -0.617 60.703 61.300 0.032 0.000 1.051 3533 I CB 2.183 40.195 38.000 0.020 0.000 1.234 3533 I HN 0.473 nan 8.210 nan 0.000 0.425 3534 N N 4.514 123.235 118.700 0.035 0.000 2.442 3534 N HA 0.544 5.285 4.740 0.002 0.000 0.274 3534 N C -1.128 174.396 175.510 0.024 0.000 1.002 3534 N CA -0.277 52.792 53.050 0.031 0.000 0.910 3534 N CB 2.270 40.772 38.487 0.025 0.000 1.244 3534 N HN 0.169 nan 8.380 nan 0.000 0.492 3535 V N 1.362 121.293 119.914 0.029 0.000 2.630 3535 V HA 0.509 4.630 4.120 0.002 0.000 0.305 3535 V C -0.108 175.942 176.094 -0.074 0.000 1.046 3535 V CA -0.717 61.591 62.300 0.014 0.000 0.934 3535 V CB 1.828 33.701 31.823 0.083 0.000 1.003 3535 V HN 0.606 nan 8.190 nan 0.000 0.451 3536 E N 1.796 121.906 120.200 -0.150 0.000 2.256 3536 E HA 0.729 5.080 4.350 0.002 0.000 0.268 3536 E C -0.464 175.897 176.600 -0.398 0.000 0.877 3536 E CA -0.324 55.896 56.400 -0.301 0.000 0.757 3536 E CB 2.194 31.795 29.700 -0.165 0.000 1.183 3536 E HN 0.923 nan 8.360 nan 0.000 0.418 3537 G N 1.381 109.695 108.800 -0.809 0.000 2.495 3537 G HA2 0.467 4.428 3.960 0.002 0.000 0.294 3537 G HA3 0.467 4.428 3.960 0.002 0.000 0.294 3537 G C -1.199 173.420 174.900 -0.469 0.000 1.397 3537 G CA -0.158 44.630 45.100 -0.519 0.000 0.790 3537 G HN 0.640 nan 8.290 nan 0.000 0.486 3538 S N -1.834 113.943 115.700 0.128 0.000 2.740 3538 S HA 0.923 5.394 4.470 0.002 0.000 0.300 3538 S C -0.436 174.402 174.600 0.396 0.000 1.147 3538 S CA 0.102 58.474 58.200 0.287 0.000 0.871 3538 S CB 2.100 65.380 63.200 0.133 0.000 1.173 3538 S HN 1.827 nan 8.310 nan 0.000 0.510 3539 T N -0.705 114.008 114.554 0.265 0.000 2.718 3539 T HA 0.509 4.860 4.350 0.002 0.000 0.306 3539 T C -1.543 173.219 174.700 0.103 0.000 1.485 3539 T CA -0.415 61.779 62.100 0.155 0.000 0.997 3539 T CB 1.333 70.254 68.868 0.087 0.000 1.504 3539 T HN 0.723 nan 8.240 nan 0.000 0.497 3540 T N 1.953 116.547 114.554 0.065 0.000 2.743 3540 T HA 0.610 4.962 4.350 0.002 0.000 0.293 3540 T C -0.397 174.329 174.700 0.043 0.000 0.945 3540 T CA -0.288 61.843 62.100 0.053 0.000 1.030 3540 T CB 0.808 69.700 68.868 0.041 0.000 0.912 3540 T HN 0.588 nan 8.240 nan 0.000 0.483 3541 V N 4.712 124.655 119.914 0.049 0.000 2.919 3541 V HA 0.551 4.672 4.120 0.002 0.000 0.316 3541 V C -0.488 175.634 176.094 0.047 0.000 1.077 3541 V CA -1.075 61.253 62.300 0.047 0.000 0.977 3541 V CB 2.063 33.919 31.823 0.055 0.000 1.039 3541 V HN 0.796 nan 8.190 nan 0.000 0.441 3542 N N 1.840 120.571 118.700 0.052 0.000 2.513 3542 N HA 0.260 5.002 4.740 0.002 0.000 0.274 3542 N C -0.409 175.135 175.510 0.057 0.000 1.189 3542 N CA -0.124 52.960 53.050 0.055 0.000 0.975 3542 N CB 0.965 39.494 38.487 0.070 0.000 1.157 3542 N HN 0.724 nan 8.380 nan 0.000 0.465 3543 T N 2.991 117.576 114.554 0.052 0.000 2.752 3543 T HA 0.220 4.571 4.350 0.002 0.000 0.295 3543 T C -2.107 172.624 174.700 0.052 0.000 0.923 3543 T CA -0.771 61.357 62.100 0.046 0.000 1.112 3543 T CB 0.313 69.204 68.868 0.038 0.000 0.884 3543 T HN 0.252 nan 8.240 nan 0.000 0.525 3544 P HA 0.109 nan 4.420 nan 0.000 0.264 3544 P C -0.159 177.158 177.300 0.029 0.000 1.193 3544 P CA -0.194 62.926 63.100 0.034 0.000 0.763 3544 P CB 0.479 32.191 31.700 0.019 0.000 0.810 3545 R N 3.280 123.797 120.500 0.028 0.000 2.294 3545 R HA 0.536 4.877 4.340 0.002 0.000 0.319 3545 R C -0.168 176.130 176.300 -0.002 0.000 0.984 3545 R CA -0.670 55.444 56.100 0.024 0.000 0.861 3545 R CB 1.111 31.440 30.300 0.049 0.000 1.104 3545 R HN 0.474 nan 8.270 nan 0.000 0.451 3546 M N 2.121 121.719 119.600 -0.003 0.000 2.644 3546 M HA 0.425 4.906 4.480 0.002 0.000 0.316 3546 M C -1.769 174.523 176.300 -0.013 0.000 1.200 3546 M CA -1.728 53.564 55.300 -0.013 0.000 0.944 3546 M CB 1.021 33.617 32.600 -0.007 0.000 1.691 3546 M HN 0.394 nan 8.290 nan 0.000 0.471 3547 P HA 0.383 nan 4.420 nan 0.000 0.288 3547 P C -1.197 176.079 177.300 -0.040 0.000 1.291 3547 P CA -0.476 62.609 63.100 -0.026 0.000 0.766 3547 P CB 0.525 32.208 31.700 -0.028 0.000 1.242 3548 R N 1.369 121.847 120.500 -0.038 0.000 2.310 3548 R HA 0.375 4.716 4.340 0.002 0.000 0.324 3548 R C -0.535 175.732 176.300 -0.055 0.000 0.955 3548 R CA -0.521 55.547 56.100 -0.053 0.000 0.830 3548 R CB -0.110 30.171 30.300 -0.031 0.000 1.154 3548 R HN 0.359 nan 8.270 nan 0.000 0.458 3549 N N 3.756 122.393 118.700 -0.105 0.000 2.511 3549 N HA 0.051 4.792 4.740 0.002 0.000 0.249 3549 N C 0.368 175.776 175.510 -0.170 0.000 0.971 3549 N CA -0.276 52.669 53.050 -0.176 0.000 0.938 3549 N CB 0.602 38.968 38.487 -0.201 0.000 1.131 3549 N HN 0.439 nan 8.380 nan 0.000 0.505 3550 F N 2.615 122.507 119.950 -0.097 0.000 2.771 3550 F HA 0.084 4.613 4.527 0.002 0.000 0.299 3550 F C 1.017 176.767 175.800 -0.084 0.000 1.177 3550 F CA 0.150 58.099 58.000 -0.085 0.000 1.450 3550 F CB -0.086 38.881 39.000 -0.055 0.000 1.114 3550 F HN 0.458 nan 8.300 nan 0.000 0.587 3551 Q N 1.125 120.660 119.800 -0.441 0.000 2.211 3551 Q HA 0.219 4.560 4.340 0.002 0.000 0.301 3551 Q C -0.379 175.366 176.000 -0.424 0.000 0.884 3551 Q CA -0.330 55.267 55.803 -0.343 0.000 1.115 3551 Q CB 0.218 28.689 28.738 -0.446 0.000 1.217 3551 Q HN 0.683 nan 8.270 nan 0.000 0.451 3552 Q N 1.360 120.907 119.800 -0.422 0.000 3.147 3552 Q HA 0.219 4.560 4.340 0.002 0.000 0.224 3552 Q C -1.510 174.268 176.000 -0.370 0.000 0.901 3552 Q CA -0.762 54.727 55.803 -0.523 0.000 0.729 3552 Q CB 0.578 29.137 28.738 -0.299 0.000 1.363 3552 Q HN 0.400 nan 8.270 nan 0.000 0.467 3553 F N 3.668 123.673 119.950 0.091 0.000 2.556 3553 F HA 0.287 4.814 4.527 -0.000 0.000 0.344 3553 F C 0.310 176.284 175.800 0.289 0.000 1.255 3553 F CA -1.224 56.887 58.000 0.185 0.000 1.091 3553 F CB -1.084 37.999 39.000 0.137 0.000 1.325 3553 F HN 0.316 nan 8.300 nan 0.000 0.627 3554 F N 1.177 121.203 119.950 0.126 0.000 2.290 3554 F HA 0.621 5.148 4.527 0.001 0.000 0.282 3554 F C 0.954 176.816 175.800 0.103 0.000 1.251 3554 F CA -0.528 57.525 58.000 0.089 0.000 1.269 3554 F CB -0.411 38.615 39.000 0.043 0.000 1.455 3554 F HN 0.880 nan 8.300 nan 0.000 0.501 3555 G N -0.269 108.360 108.800 -0.284 0.000 3.277 3555 G HA2 0.346 4.307 3.960 0.002 0.000 0.684 3555 G HA3 0.346 4.307 3.960 0.002 0.000 0.684 3555 G C -0.646 174.174 174.900 -0.134 0.000 0.923 3555 G CA -0.489 44.367 45.100 -0.407 0.000 0.779 3555 G HN 1.675 nan 8.290 nan 0.000 0.508 3556 G N 1.755 110.574 108.800 0.031 0.000 2.741 3556 G HA2 0.930 4.891 3.960 0.002 0.000 0.293 3556 G HA3 0.930 4.891 3.960 0.002 0.000 0.293 3556 G C -0.643 174.278 174.900 0.035 0.000 1.457 3556 G CA 0.225 45.344 45.100 0.032 0.000 1.098 3556 G HN 1.476 nan 8.290 nan 0.000 0.536 3557 Q N 1.263 121.087 119.800 0.040 0.000 2.386 3557 Q HA 0.456 4.797 4.340 0.002 0.000 0.274 3557 Q C -1.286 174.745 176.000 0.052 0.000 1.011 3557 Q CA -1.238 54.590 55.803 0.042 0.000 0.867 3557 Q CB 1.810 30.572 28.738 0.039 0.000 1.409 3557 Q HN 0.310 nan 8.270 nan 0.000 0.395 3558 Q N 1.425 121.258 119.800 0.056 0.000 2.373 3558 Q HA 0.304 4.645 4.340 0.002 0.000 0.255 3558 Q C -0.966 175.079 176.000 0.076 0.000 0.980 3558 Q CA 0.241 56.087 55.803 0.072 0.000 0.882 3558 Q CB 1.212 29.993 28.738 0.072 0.000 1.249 3558 Q HN 0.566 nan 8.270 nan 0.000 0.438 3559 Q N 0.905 120.768 119.800 0.104 0.000 2.305 3559 Q HA 0.337 4.678 4.340 0.002 0.000 0.271 3559 Q C -1.216 174.878 176.000 0.157 0.000 1.046 3559 Q CA -0.349 55.521 55.803 0.111 0.000 0.798 3559 Q CB 1.711 30.516 28.738 0.112 0.000 1.286 3559 Q HN 0.268 nan 8.270 nan 0.000 0.435 3560 K N 2.353 122.811 120.400 0.097 0.000 2.237 3560 K HA 0.568 4.889 4.320 0.002 0.000 0.270 3560 K C -0.428 176.233 176.600 0.102 0.000 1.015 3560 K CA -0.195 56.111 56.287 0.032 0.000 0.949 3560 K CB 0.590 33.067 32.500 -0.038 0.000 0.976 3560 K HN 0.561 nan 8.250 nan 0.000 0.472 3561 F N -1.218 118.751 119.950 0.032 0.000 2.685 3561 F HA 0.618 5.146 4.527 0.002 0.000 0.315 3561 F C -1.146 174.673 175.800 0.032 0.000 1.126 3561 F CA -1.422 56.598 58.000 0.032 0.000 0.950 3561 F CB 1.261 40.282 39.000 0.035 0.000 1.360 3561 F HN 0.212 nan 8.300 nan 0.000 0.469 3562 M N 2.080 121.759 119.600 0.131 0.000 2.393 3562 M HA 0.772 5.253 4.480 0.002 0.000 0.299 3562 M C -1.032 175.419 176.300 0.251 0.000 1.103 3562 M CA -0.809 54.518 55.300 0.044 0.000 0.910 3562 M CB 2.367 34.983 32.600 0.028 0.000 1.659 3562 M HN 0.988 nan 8.290 nan 0.000 0.445 3563 A N 3.395 126.342 122.820 0.212 0.000 2.469 3563 A HA 1.019 5.340 4.320 0.002 0.000 0.299 3563 A C -1.655 175.999 177.584 0.117 0.000 1.098 3563 A CA -0.769 51.397 52.037 0.215 0.000 0.737 3563 A CB 1.948 21.121 19.000 0.289 0.000 1.312 3563 A HN 0.968 nan 8.150 nan 0.000 0.414 3564 L N 0.205 121.483 121.223 0.092 0.000 2.472 3564 L HA 0.947 5.288 4.340 0.002 0.000 0.260 3564 L C -0.438 176.455 176.870 0.040 0.000 0.963 3564 L CA -0.105 54.771 54.840 0.059 0.000 0.829 3564 L CB 1.899 43.993 42.059 0.057 0.000 1.348 3564 L HN 1.257 nan 8.230 nan 0.000 0.408 3565 G N 1.476 110.287 108.800 0.018 0.000 2.682 3565 G HA2 0.614 4.575 3.960 0.002 0.000 0.303 3565 G HA3 0.614 4.575 3.960 0.002 0.000 0.303 3565 G C -1.761 173.139 174.900 -0.000 0.000 1.341 3565 G CA -0.458 44.640 45.100 -0.003 0.000 0.784 3565 G HN 0.665 nan 8.290 nan 0.000 0.497 3566 S N -1.953 113.743 115.700 -0.006 0.000 2.704 3566 S HA 0.918 5.389 4.470 0.002 0.000 0.305 3566 S C 0.094 174.692 174.600 -0.003 0.000 1.107 3566 S CA 0.038 58.240 58.200 0.004 0.000 0.993 3566 S CB 1.729 64.935 63.200 0.010 0.000 1.110 3566 S HN 1.394 nan 8.310 nan 0.000 0.534 3567 G N -0.342 108.461 108.800 0.005 0.000 2.684 3567 G HA2 0.617 4.578 3.960 0.002 0.000 0.290 3567 G HA3 0.617 4.578 3.960 0.002 0.000 0.290 3567 G C -2.002 172.903 174.900 0.008 0.000 1.425 3567 G CA -0.447 44.655 45.100 0.003 0.000 0.822 3567 G HN 0.611 nan 8.290 nan 0.000 0.482 3568 V N 0.989 120.908 119.914 0.008 0.000 2.531 3568 V HA 0.383 4.504 4.120 0.002 0.000 0.301 3568 V C 0.077 176.176 176.094 0.009 0.000 1.034 3568 V CA -0.615 61.690 62.300 0.008 0.000 0.865 3568 V CB 1.649 33.478 31.823 0.011 0.000 0.995 3568 V HN 0.665 nan 8.190 nan 0.000 0.424 3569 I N 5.036 125.608 120.570 0.002 0.000 2.587 3569 I HA 0.077 4.248 4.170 0.002 0.000 0.284 3569 I C 0.681 176.807 176.117 0.014 0.000 1.134 3569 I CA 0.459 61.759 61.300 -0.000 0.000 1.410 3569 I CB 0.782 38.767 38.000 -0.025 0.000 1.392 3569 I HN 0.567 nan 8.210 nan 0.000 0.545 3570 I N 4.195 124.788 120.570 0.039 0.000 4.323 3570 I HA 0.152 4.323 4.170 0.002 0.000 0.328 3570 I C 0.051 176.208 176.117 0.066 0.000 1.310 3570 I CA 0.754 62.081 61.300 0.045 0.000 1.186 3570 I CB 0.254 38.276 38.000 0.037 0.000 1.130 3570 I HN 0.475 nan 8.210 nan 0.000 0.411 3571 D N -0.242 120.208 120.400 0.083 0.000 2.386 3571 D HA 0.406 5.047 4.640 0.002 0.000 0.247 3571 D C 0.805 177.084 176.300 -0.036 0.000 1.336 3571 D CA 0.130 54.165 54.000 0.058 0.000 0.976 3571 D CB 1.562 42.465 40.800 0.172 0.000 1.257 3571 D HN 0.035 nan 8.370 nan 0.000 0.570 3572 A N 3.406 126.200 122.820 -0.043 0.000 1.933 3572 A HA -0.154 4.167 4.320 0.002 0.000 0.218 3572 A C 1.613 179.133 177.584 -0.107 0.000 1.175 3572 A CA 1.539 53.533 52.037 -0.073 0.000 0.628 3572 A CB -0.095 18.875 19.000 -0.050 0.000 0.814 3572 A HN 0.530 nan 8.150 nan 0.000 0.444 3573 D N -0.632 119.706 120.400 -0.104 0.000 2.103 3573 D HA -0.044 4.597 4.640 0.002 0.000 0.199 3573 D C 1.841 178.021 176.300 -0.199 0.000 0.978 3573 D CA 0.969 54.895 54.000 -0.122 0.000 0.829 3573 D CB 0.026 40.772 40.800 -0.091 0.000 0.981 3573 D HN 0.135 nan 8.370 nan 0.000 0.464 3574 K N -0.270 119.943 120.400 -0.313 0.000 2.459 3574 K HA 0.140 4.461 4.320 0.002 0.000 0.193 3574 K C 0.885 177.136 176.600 -0.581 0.000 1.030 3574 K CA 0.598 56.542 56.287 -0.571 0.000 1.026 3574 K CB 0.379 32.216 32.500 -1.105 0.000 0.809 3574 K HN 0.217 nan 8.250 nan 0.000 0.504 3575 G N 1.782 110.368 108.800 -0.357 0.000 2.272 3575 G HA2 -0.290 3.671 3.960 0.002 0.000 0.280 3575 G HA3 -0.290 3.671 3.960 0.002 0.000 0.280 3575 G C -0.412 174.404 174.900 -0.140 0.000 1.067 3575 G CA -0.036 44.916 45.100 -0.246 0.000 0.902 3575 G HN 0.393 nan 8.290 nan 0.000 0.500 3576 Y N -0.820 119.441 120.300 -0.064 0.000 2.404 3576 Y HA 0.439 4.990 4.550 0.002 0.000 0.344 3576 Y C 0.675 176.546 175.900 -0.048 0.000 0.995 3576 Y CA -1.144 56.926 58.100 -0.049 0.000 1.201 3576 Y CB 1.455 39.890 38.460 -0.041 0.000 1.151 3576 Y HN 0.065 nan 8.280 nan 0.000 0.517 3577 V N 5.800 125.794 119.914 0.134 0.000 2.448 3577 V HA 0.216 4.337 4.120 0.002 0.000 0.295 3577 V C -0.383 175.728 176.094 0.028 0.000 1.025 3577 V CA -0.886 61.446 62.300 0.052 0.000 0.859 3577 V CB 1.785 33.621 31.823 0.023 0.000 0.988 3577 V HN 0.498 nan 8.190 nan 0.000 0.431 3578 V N 5.326 125.247 119.914 0.012 0.000 2.607 3578 V HA 0.786 4.907 4.120 0.002 0.000 0.289 3578 V C 0.200 176.291 176.094 -0.005 0.000 1.053 3578 V CA 0.776 63.073 62.300 -0.005 0.000 0.996 3578 V CB 1.757 33.575 31.823 -0.010 0.000 0.995 3578 V HN 1.105 nan 8.190 nan 0.000 0.476 3579 T N 4.006 118.552 114.554 -0.013 0.000 2.665 3579 T HA 0.413 4.764 4.350 0.002 0.000 0.303 3579 T C -0.983 173.693 174.700 -0.040 0.000 1.334 3579 T CA -0.721 61.364 62.100 -0.025 0.000 1.011 3579 T CB 1.247 70.096 68.868 -0.031 0.000 1.573 3579 T HN 0.746 nan 8.240 nan 0.000 0.492 3580 N N 2.388 121.031 118.700 -0.095 0.000 2.529 3580 N HA 0.269 5.010 4.740 0.002 0.000 0.278 3580 N C 1.135 176.558 175.510 -0.145 0.000 1.146 3580 N CA -0.571 52.404 53.050 -0.126 0.000 0.980 3580 N CB 0.648 38.945 38.487 -0.316 0.000 1.124 3580 N HN 0.616 nan 8.380 nan 0.000 0.458 3581 N N 1.870 120.552 118.700 -0.030 0.000 2.381 3581 N HA -0.203 4.538 4.740 0.002 0.000 0.182 3581 N C 0.908 176.426 175.510 0.013 0.000 1.025 3581 N CA 0.872 53.922 53.050 0.000 0.000 0.888 3581 N CB -0.015 38.497 38.487 0.041 0.000 0.965 3581 N HN 0.724 nan 8.380 nan 0.000 0.438 3582 H N -0.776 118.307 119.070 0.021 0.000 2.555 3582 H HA 0.064 4.621 4.556 0.002 0.000 0.269 3582 H C 1.522 176.862 175.328 0.020 0.000 0.988 3582 H CA 0.415 56.468 56.048 0.008 0.000 1.178 3582 H CB 0.084 29.845 29.762 -0.002 0.000 1.373 3582 H HN 0.069 nan 8.280 nan 0.000 0.588 3583 V N 1.370 121.132 119.914 -0.254 0.000 2.521 3583 V HA -0.128 3.993 4.120 0.002 0.000 0.239 3583 V C 2.876 178.985 176.094 0.024 0.000 1.053 3583 V CA 1.019 63.248 62.300 -0.117 0.000 1.073 3583 V CB 0.009 31.723 31.823 -0.181 0.000 0.746 3583 V HN 0.453 nan 8.190 nan 0.000 0.476 3584 V N -1.813 118.105 119.914 0.006 0.000 3.306 3584 V HA 0.111 4.232 4.120 0.002 0.000 0.264 3584 V C 0.897 177.046 176.094 0.092 0.000 1.149 3584 V CA 0.404 62.739 62.300 0.058 0.000 1.143 3584 V CB -0.534 31.307 31.823 0.031 0.000 0.767 3584 V HN 0.458 nan 8.190 nan 0.000 0.476 3585 D N 2.218 122.662 120.400 0.073 0.000 2.533 3585 D HA -0.044 4.597 4.640 0.002 0.000 0.236 3585 D C 0.871 177.251 176.300 0.132 0.000 1.137 3585 D CA 1.170 55.213 54.000 0.072 0.000 0.867 3585 D CB -0.054 40.769 40.800 0.038 0.000 1.170 3585 D HN 0.491 nan 8.370 nan 0.000 0.474 3586 N N 0.512 119.290 118.700 0.130 0.000 2.800 3586 N HA -0.201 4.540 4.740 0.002 0.000 0.250 3586 N C -0.543 175.148 175.510 0.301 0.000 1.078 3586 N CA 0.956 54.129 53.050 0.204 0.000 0.804 3586 N CB -1.357 37.254 38.487 0.207 0.000 1.135 3586 N HN 0.528 nan 8.380 nan 0.000 0.565 3587 A N -0.243 122.709 122.820 0.219 0.000 2.407 3587 A HA 0.449 4.770 4.320 0.002 0.000 0.248 3587 A C 1.321 178.971 177.584 0.109 0.000 1.082 3587 A CA 0.894 53.023 52.037 0.153 0.000 0.785 3587 A CB 0.453 19.519 19.000 0.110 0.000 1.020 3587 A HN 0.229 nan 8.150 nan 0.000 0.489 3588 T N 0.367 114.959 114.554 0.063 0.000 3.056 3588 T HA 0.235 4.586 4.350 0.002 0.000 0.243 3588 T C 0.026 174.770 174.700 0.073 0.000 0.995 3588 T CA 0.620 62.780 62.100 0.100 0.000 1.091 3588 T CB 0.270 69.176 68.868 0.063 0.000 0.990 3588 T HN 0.378 nan 8.240 nan 0.000 0.464 3589 V N 2.832 122.756 119.914 0.016 0.000 2.525 3589 V HA 0.610 4.731 4.120 0.002 0.000 0.299 3589 V C -1.371 174.731 176.094 0.012 0.000 1.034 3589 V CA -1.204 61.104 62.300 0.014 0.000 0.863 3589 V CB 1.792 33.607 31.823 -0.014 0.000 0.999 3589 V HN 0.430 nan 8.190 nan 0.000 0.423 3590 I N 4.157 124.747 120.570 0.034 0.000 2.410 3590 I HA 0.623 4.794 4.170 0.002 0.000 0.286 3590 I C -0.481 175.662 176.117 0.044 0.000 1.009 3590 I CA -0.086 61.236 61.300 0.037 0.000 1.111 3590 I CB 1.169 39.197 38.000 0.046 0.000 1.262 3590 I HN 0.479 nan 8.210 nan 0.000 0.443 3591 K N 5.298 125.722 120.400 0.040 0.000 2.123 3591 K HA 0.795 5.116 4.320 0.002 0.000 0.259 3591 K C -1.290 175.350 176.600 0.067 0.000 0.960 3591 K CA -0.939 55.381 56.287 0.055 0.000 0.872 3591 K CB 2.357 34.881 32.500 0.039 0.000 1.079 3591 K HN 0.493 nan 8.250 nan 0.000 0.440 3592 V N 2.371 122.346 119.914 0.101 0.000 2.656 3592 V HA 0.279 4.400 4.120 0.002 0.000 0.307 3592 V C -0.891 175.297 176.094 0.156 0.000 1.051 3592 V CA -0.797 61.569 62.300 0.109 0.000 0.893 3592 V CB 1.727 33.608 31.823 0.095 0.000 0.999 3592 V HN 0.721 nan 8.190 nan 0.000 0.426 3593 Q N 3.831 123.702 119.800 0.119 0.000 2.327 3593 Q HA 0.608 4.949 4.340 0.002 0.000 0.270 3593 Q C -1.025 175.047 176.000 0.119 0.000 1.022 3593 Q CA -0.581 55.300 55.803 0.129 0.000 0.773 3593 Q CB 1.643 30.427 28.738 0.077 0.000 1.251 3593 Q HN 0.719 nan 8.270 nan 0.000 0.457 3594 L N 1.423 122.745 121.223 0.165 0.000 2.473 3594 L HA 0.045 4.386 4.340 0.002 0.000 0.265 3594 L C 1.604 178.522 176.870 0.079 0.000 1.243 3594 L CA 0.347 55.257 54.840 0.116 0.000 0.822 3594 L CB 0.368 42.526 42.059 0.165 0.000 1.101 3594 L HN 0.851 nan 8.230 nan 0.000 0.507 3595 S N -0.958 114.776 115.700 0.057 0.000 2.515 3595 S HA -0.120 4.351 4.470 0.002 0.000 0.231 3595 S C 1.060 175.687 174.600 0.044 0.000 0.987 3595 S CA 0.701 58.928 58.200 0.044 0.000 0.936 3595 S CB -0.325 62.895 63.200 0.034 0.000 0.766 3595 S HN 0.835 nan 8.310 nan 0.000 0.528 3596 D N -0.008 120.424 120.400 0.053 0.000 2.340 3596 D HA 0.254 4.895 4.640 0.002 0.000 0.220 3596 D C 1.454 177.780 176.300 0.044 0.000 1.039 3596 D CA 0.686 54.713 54.000 0.046 0.000 0.866 3596 D CB -0.479 40.350 40.800 0.049 0.000 0.913 3596 D HN 0.583 nan 8.370 nan 0.000 0.523 3597 G N 0.172 109.003 108.800 0.053 0.000 2.194 3597 G HA2 -0.290 3.671 3.960 0.002 0.000 0.236 3597 G HA3 -0.290 3.671 3.960 0.002 0.000 0.236 3597 G C 0.259 175.177 174.900 0.030 0.000 0.987 3597 G CA -0.217 44.906 45.100 0.038 0.000 0.635 3597 G HN 0.430 nan 8.290 nan 0.000 0.520 3598 R N 0.890 121.425 120.500 0.059 0.000 2.543 3598 R HA 0.525 4.866 4.340 0.002 0.000 0.277 3598 R C 0.365 176.663 176.300 -0.004 0.000 1.074 3598 R CA 0.334 56.431 56.100 -0.005 0.000 1.076 3598 R CB 0.527 30.884 30.300 0.096 0.000 0.993 3598 R HN 0.241 nan 8.270 nan 0.000 0.459 3599 K N 2.456 122.717 120.400 -0.232 0.000 2.164 3599 K HA 0.444 4.765 4.320 0.002 0.000 0.258 3599 K C -0.942 175.422 176.600 -0.392 0.000 0.951 3599 K CA -0.434 55.772 56.287 -0.136 0.000 0.844 3599 K CB 1.272 33.716 32.500 -0.093 0.000 1.099 3599 K HN 0.247 nan 8.250 nan 0.000 0.435 3600 F N -0.159 119.793 119.950 0.003 0.000 2.675 3600 F HA 0.333 4.861 4.527 0.002 0.000 0.324 3600 F C -0.073 175.730 175.800 0.005 0.000 1.106 3600 F CA -0.950 57.051 58.000 0.002 0.000 0.970 3600 F CB 1.566 40.568 39.000 0.002 0.000 1.385 3600 F HN 0.342 nan 8.300 nan 0.000 0.489 3601 D N 0.263 120.800 120.400 0.229 0.000 2.272 3601 D HA 0.737 5.378 4.640 0.002 0.000 0.247 3601 D C -0.926 175.445 176.300 0.118 0.000 0.990 3601 D CA -0.175 53.901 54.000 0.127 0.000 0.931 3601 D CB 2.065 42.917 40.800 0.086 0.000 1.195 3601 D HN 0.669 nan 8.370 nan 0.000 0.477 3602 A N 0.915 123.784 122.820 0.083 0.000 2.515 3602 A HA 0.700 5.021 4.320 0.002 0.000 0.296 3602 A C -0.979 176.643 177.584 0.063 0.000 1.094 3602 A CA -0.750 51.327 52.037 0.067 0.000 0.718 3602 A CB 1.884 20.919 19.000 0.057 0.000 1.307 3602 A HN 0.365 nan 8.150 nan 0.000 0.408 3603 K N 1.264 121.701 120.400 0.063 0.000 2.426 3603 K HA 0.477 4.798 4.320 0.002 0.000 0.251 3603 K C -0.978 175.658 176.600 0.060 0.000 0.941 3603 K CA -1.011 55.314 56.287 0.063 0.000 0.808 3603 K CB 1.707 34.246 32.500 0.064 0.000 1.265 3603 K HN 0.660 nan 8.250 nan 0.000 0.432 3604 M N 2.244 121.875 119.600 0.051 0.000 2.252 3604 M HA -0.022 4.459 4.480 0.002 0.000 0.348 3604 M C 1.008 177.330 176.300 0.037 0.000 1.334 3604 M CA 0.414 55.738 55.300 0.039 0.000 1.071 3604 M CB 0.798 33.417 32.600 0.031 0.000 1.763 3604 M HN 0.666 nan 8.290 nan 0.000 0.452 3605 V N 2.727 122.657 119.914 0.026 0.000 3.539 3605 V HA 0.567 4.688 4.120 0.002 0.000 0.262 3605 V C 0.365 176.450 176.094 -0.015 0.000 1.381 3605 V CA 1.181 63.490 62.300 0.015 0.000 1.060 3605 V CB 1.067 32.901 31.823 0.019 0.000 0.842 3605 V HN 0.888 nan 8.190 nan 0.000 0.445 3606 G N 0.629 109.417 108.800 -0.020 0.000 2.579 3606 G HA2 0.579 4.540 3.960 0.002 0.000 0.292 3606 G HA3 0.579 4.540 3.960 0.002 0.000 0.292 3606 G C -1.579 173.312 174.900 -0.015 0.000 1.484 3606 G CA -0.294 44.793 45.100 -0.022 0.000 0.813 3606 G HN 0.656 nan 8.290 nan 0.000 0.515 3607 K N -0.366 120.030 120.400 -0.007 0.000 2.587 3607 K HA 0.683 5.004 4.320 0.002 0.000 0.276 3607 K C -2.389 174.213 176.600 0.004 0.000 0.956 3607 K CA -0.973 55.314 56.287 -0.000 0.000 0.857 3607 K CB 2.689 35.194 32.500 0.008 0.000 1.431 3607 K HN 0.490 nan 8.250 nan 0.000 0.420 3608 D N 2.283 122.688 120.400 0.009 0.000 2.337 3608 D HA 0.322 4.963 4.640 0.002 0.000 0.238 3608 D C -2.184 174.131 176.300 0.024 0.000 1.331 3608 D CA -1.807 52.200 54.000 0.011 0.000 0.967 3608 D CB 1.991 42.792 40.800 0.003 0.000 1.382 3608 D HN 0.275 nan 8.370 nan 0.000 0.549 3609 P HA -0.195 nan 4.420 nan 0.000 0.217 3609 P C 1.511 178.842 177.300 0.052 0.000 1.148 3609 P CA 0.717 63.842 63.100 0.042 0.000 0.834 3609 P CB 0.280 32.000 31.700 0.033 0.000 0.783 3610 R N 0.022 120.547 120.500 0.041 0.000 2.088 3610 R HA -0.102 4.239 4.340 0.002 0.000 0.232 3610 R C 2.384 178.730 176.300 0.077 0.000 1.136 3610 R CA 2.363 58.494 56.100 0.051 0.000 0.926 3610 R CB -1.562 28.753 30.300 0.025 0.000 0.837 3610 R HN 0.316 nan 8.270 nan 0.000 0.429 3611 S N 0.286 116.012 115.700 0.044 0.000 2.522 3611 S HA -0.107 4.364 4.470 0.002 0.000 0.227 3611 S C 0.422 175.081 174.600 0.098 0.000 0.986 3611 S CA 0.933 59.154 58.200 0.034 0.000 0.929 3611 S CB -0.051 63.133 63.200 -0.027 0.000 0.769 3611 S HN 0.416 nan 8.310 nan 0.000 0.529 3612 D N -0.038 120.422 120.400 0.099 0.000 2.800 3612 D HA -0.150 4.491 4.640 0.002 0.000 0.232 3612 D C -0.763 175.595 176.300 0.097 0.000 1.137 3612 D CA 0.603 54.679 54.000 0.126 0.000 0.718 3612 D CB -1.692 39.223 40.800 0.192 0.000 1.084 3612 D HN 0.526 nan 8.370 nan 0.000 0.432 3613 I N 0.094 120.694 120.570 0.050 0.000 2.474 3613 I HA 0.737 4.909 4.170 0.002 0.000 0.294 3613 I C 0.538 176.657 176.117 0.004 0.000 1.005 3613 I CA -0.680 60.633 61.300 0.022 0.000 1.113 3613 I CB 1.512 39.516 38.000 0.006 0.000 1.289 3613 I HN 0.215 nan 8.210 nan 0.000 0.436 3614 A N 6.902 129.717 122.820 -0.009 0.000 2.498 3614 A HA 0.798 5.119 4.320 0.002 0.000 0.298 3614 A C -1.547 176.022 177.584 -0.025 0.000 1.075 3614 A CA -0.568 51.460 52.037 -0.015 0.000 0.714 3614 A CB 2.281 21.274 19.000 -0.011 0.000 1.299 3614 A HN 0.668 nan 8.150 nan 0.000 0.407 3615 L N 2.526 123.729 121.223 -0.034 0.000 2.346 3615 L HA 0.760 5.101 4.340 0.002 0.000 0.276 3615 L C -0.788 176.075 176.870 -0.012 0.000 1.006 3615 L CA -0.789 54.022 54.840 -0.048 0.000 0.817 3615 L CB 1.502 43.487 42.059 -0.123 0.000 1.272 3615 L HN 0.850 nan 8.230 nan 0.000 0.421 3616 I N 0.500 121.085 120.570 0.025 0.000 3.174 3616 I HA 0.548 4.719 4.170 0.002 0.000 0.313 3616 I C -1.380 174.819 176.117 0.137 0.000 1.155 3616 I CA -0.828 60.510 61.300 0.063 0.000 0.977 3616 I CB 2.442 40.469 38.000 0.045 0.000 1.248 3616 I HN 0.575 nan 8.210 nan 0.000 0.453 3617 Q N 2.496 122.372 119.800 0.126 0.000 2.292 3617 Q HA 0.552 4.893 4.340 0.002 0.000 0.270 3617 Q C -1.342 174.677 176.000 0.032 0.000 1.024 3617 Q CA -0.807 55.068 55.803 0.121 0.000 0.768 3617 Q CB 2.535 31.363 28.738 0.150 0.000 1.250 3617 Q HN 0.662 nan 8.270 nan 0.000 0.447 3618 I N 3.617 124.167 120.570 -0.034 0.000 2.598 3618 I HA -0.052 4.119 4.170 0.002 0.000 0.284 3618 I C 0.256 176.353 176.117 -0.034 0.000 1.140 3618 I CA 0.074 61.333 61.300 -0.068 0.000 1.420 3618 I CB 0.548 38.397 38.000 -0.251 0.000 1.387 3618 I HN 0.366 nan 8.210 nan 0.000 0.553 3619 Q N 6.654 126.483 119.800 0.047 0.000 2.295 3619 Q HA 0.142 4.483 4.340 0.002 0.000 0.259 3619 Q C -0.195 175.874 176.000 0.115 0.000 0.976 3619 Q CA 0.055 55.897 55.803 0.065 0.000 0.923 3619 Q CB 0.616 29.402 28.738 0.081 0.000 1.185 3619 Q HN 0.552 nan 8.270 nan 0.000 0.410 3620 N N 1.096 119.836 118.700 0.066 0.000 2.806 3620 N HA -0.103 4.638 4.740 0.002 0.000 0.248 3620 N C -2.472 173.123 175.510 0.141 0.000 1.081 3620 N CA 0.187 53.300 53.050 0.104 0.000 0.680 3620 N CB -1.183 37.391 38.487 0.145 0.000 0.941 3620 N HN 0.442 nan 8.380 nan 0.000 0.554 3621 P HA 0.247 nan 4.420 nan 0.000 0.272 3621 P C -0.161 177.135 177.300 -0.006 0.000 1.223 3621 P CA 0.307 63.308 63.100 -0.165 0.000 0.784 3621 P CB 1.030 32.593 31.700 -0.229 0.000 0.923 3622 K N 1.832 122.250 120.400 0.029 0.000 2.535 3622 K HA 0.233 4.554 4.320 0.002 0.000 0.251 3622 K C -0.668 175.965 176.600 0.055 0.000 0.942 3622 K CA -0.524 55.812 56.287 0.082 0.000 0.798 3622 K CB 0.574 33.174 32.500 0.167 0.000 1.267 3622 K HN 0.356 nan 8.250 nan 0.000 0.434 3623 N N 2.831 121.542 118.700 0.019 0.000 2.650 3623 N HA -0.225 4.516 4.740 0.002 0.000 0.272 3623 N C -1.187 174.319 175.510 -0.006 0.000 1.058 3623 N CA 0.767 53.824 53.050 0.012 0.000 0.765 3623 N CB -0.765 37.742 38.487 0.034 0.000 0.902 3623 N HN 0.344 nan 8.380 nan 0.000 0.551 3624 L N 0.522 121.718 121.223 -0.045 0.000 2.332 3624 L HA 0.548 4.889 4.340 0.002 0.000 0.269 3624 L C 0.784 177.629 176.870 -0.042 0.000 1.016 3624 L CA -0.151 54.649 54.840 -0.066 0.000 0.809 3624 L CB 1.800 43.783 42.059 -0.125 0.000 1.280 3624 L HN 0.162 nan 8.230 nan 0.000 0.447 3625 T N 1.465 115.998 114.554 -0.035 0.000 2.824 3625 T HA 0.805 5.156 4.350 0.002 0.000 0.282 3625 T C -0.657 174.031 174.700 -0.020 0.000 0.993 3625 T CA -0.548 61.540 62.100 -0.021 0.000 0.967 3625 T CB 1.601 70.464 68.868 -0.009 0.000 0.960 3625 T HN 0.684 nan 8.240 nan 0.000 0.441 3626 A N 3.104 125.915 122.820 -0.015 0.000 2.325 3626 A HA 0.814 5.135 4.320 0.002 0.000 0.333 3626 A C -0.136 177.448 177.584 -0.001 0.000 1.155 3626 A CA -0.781 51.252 52.037 -0.007 0.000 0.814 3626 A CB 0.549 19.547 19.000 -0.004 0.000 1.206 3626 A HN 0.942 nan 8.150 nan 0.000 0.482 3627 I N 0.875 121.447 120.570 0.003 0.000 2.823 3627 I HA 0.235 4.406 4.170 0.002 0.000 0.290 3627 I C 0.589 176.710 176.117 0.006 0.000 1.091 3627 I CA -0.338 60.965 61.300 0.005 0.000 1.365 3627 I CB 0.724 38.729 38.000 0.008 0.000 1.427 3627 I HN 0.704 nan 8.210 nan 0.000 0.583 3628 K N 7.079 127.482 120.400 0.006 0.000 2.172 3628 K HA 0.366 4.687 4.320 0.002 0.000 0.276 3628 K C -1.036 175.568 176.600 0.006 0.000 1.013 3628 K CA -0.563 55.727 56.287 0.005 0.000 0.913 3628 K CB 1.037 33.540 32.500 0.005 0.000 1.055 3628 K HN 0.622 nan 8.250 nan 0.000 0.461 3629 M N 3.337 122.939 119.600 0.004 0.000 2.188 3629 M HA 0.264 4.745 4.480 0.002 0.000 0.357 3629 M C -0.142 176.159 176.300 0.002 0.000 1.204 3629 M CA -0.439 54.862 55.300 0.003 0.000 1.095 3629 M CB 1.711 34.311 32.600 -0.000 0.000 1.604 3629 M HN 0.776 nan 8.290 nan 0.000 0.464 3630 A N 1.837 124.658 122.820 0.003 0.000 2.242 3630 A HA 0.345 4.666 4.320 0.002 0.000 0.304 3630 A C -0.572 177.011 177.584 -0.001 0.000 1.100 3630 A CA -0.578 51.461 52.037 0.003 0.000 0.860 3630 A CB 0.501 19.504 19.000 0.006 0.000 1.168 3630 A HN 0.713 nan 8.150 nan 0.000 0.503 3631 D N 0.244 120.643 120.400 -0.002 0.000 2.393 3631 D HA 0.293 4.934 4.640 0.002 0.000 0.232 3631 D C 1.034 177.330 176.300 -0.007 0.000 1.192 3631 D CA 0.300 54.297 54.000 -0.005 0.000 0.882 3631 D CB 0.386 41.183 40.800 -0.005 0.000 1.038 3631 D HN 0.273 nan 8.370 nan 0.000 0.499 3632 S N 2.751 118.446 115.700 -0.009 0.000 2.400 3632 S HA -0.208 4.263 4.470 0.002 0.000 0.234 3632 S C 1.200 175.792 174.600 -0.013 0.000 1.049 3632 S CA 1.129 59.322 58.200 -0.011 0.000 1.039 3632 S CB -0.051 63.139 63.200 -0.017 0.000 0.856 3632 S HN 0.601 nan 8.310 nan 0.000 0.465 3633 D N 1.345 121.737 120.400 -0.013 0.000 2.311 3633 D HA -0.014 4.627 4.640 0.002 0.000 0.212 3633 D C 1.525 177.818 176.300 -0.012 0.000 0.972 3633 D CA 0.949 54.941 54.000 -0.013 0.000 0.887 3633 D CB -0.210 40.583 40.800 -0.012 0.000 0.915 3633 D HN 0.477 nan 8.370 nan 0.000 0.497 3634 A N 0.074 122.888 122.820 -0.010 0.000 2.337 3634 A HA 0.176 4.497 4.320 0.002 0.000 0.227 3634 A C 0.914 178.490 177.584 -0.013 0.000 1.259 3634 A CA -0.241 51.790 52.037 -0.010 0.000 0.870 3634 A CB -0.151 18.845 19.000 -0.007 0.000 0.927 3634 A HN 0.110 nan 8.150 nan 0.000 0.497 3635 L N 0.638 121.853 121.223 -0.014 0.000 2.417 3635 L HA 0.343 4.684 4.340 0.002 0.000 0.268 3635 L C 0.461 177.316 176.870 -0.026 0.000 1.158 3635 L CA 0.027 54.856 54.840 -0.019 0.000 0.819 3635 L CB 0.630 42.679 42.059 -0.018 0.000 1.112 3635 L HN 0.343 nan 8.230 nan 0.000 0.458 3636 R N 1.361 121.840 120.500 -0.036 0.000 2.725 3636 R HA 0.280 4.621 4.340 0.002 0.000 0.277 3636 R C 0.633 176.896 176.300 -0.061 0.000 0.987 3636 R CA -0.848 55.225 56.100 -0.044 0.000 0.901 3636 R CB 2.067 32.341 30.300 -0.044 0.000 1.207 3636 R HN 0.314 nan 8.270 nan 0.000 0.463 3637 V N 1.217 121.094 119.914 -0.061 0.000 2.282 3637 V HA -0.230 3.891 4.120 0.002 0.000 0.249 3637 V C 1.962 177.992 176.094 -0.107 0.000 1.057 3637 V CA 2.594 64.850 62.300 -0.073 0.000 1.032 3637 V CB -0.483 31.304 31.823 -0.060 0.000 0.645 3637 V HN 1.085 nan 8.190 nan 0.000 0.447 3638 G N -0.683 108.042 108.800 -0.126 0.000 2.776 3638 G HA2 -0.075 3.886 3.960 0.002 0.000 0.209 3638 G HA3 -0.075 3.886 3.960 0.002 0.000 0.209 3638 G C 0.236 174.943 174.900 -0.322 0.000 1.145 3638 G CA -0.083 44.898 45.100 -0.199 0.000 0.791 3638 G HN 0.457 nan 8.290 nan 0.000 0.530 3639 D N -0.057 120.209 120.400 -0.224 0.000 2.443 3639 D HA 0.116 4.757 4.640 0.002 0.000 0.239 3639 D C -0.032 176.126 176.300 -0.236 0.000 1.136 3639 D CA 0.145 54.013 54.000 -0.219 0.000 0.879 3639 D CB 0.565 41.312 40.800 -0.089 0.000 1.195 3639 D HN 0.256 nan 8.370 nan 0.000 0.443 3640 Y N 0.486 120.784 120.300 -0.003 0.000 2.346 3640 Y HA 0.222 4.773 4.550 0.002 0.000 0.330 3640 Y C 1.303 177.203 175.900 -0.001 0.000 1.178 3640 Y CA 0.252 58.352 58.100 -0.001 0.000 1.331 3640 Y CB 1.073 39.534 38.460 0.001 0.000 1.253 3640 Y HN 0.078 nan 8.280 nan 0.000 0.529 3641 T N 2.845 117.520 114.554 0.202 0.000 2.900 3641 T HA 0.519 4.870 4.350 0.002 0.000 0.295 3641 T C -1.699 173.053 174.700 0.087 0.000 1.044 3641 T CA -0.663 61.501 62.100 0.106 0.000 0.995 3641 T CB 1.590 70.497 68.868 0.065 0.000 1.072 3641 T HN 0.395 nan 8.240 nan 0.000 0.473 3642 V N 2.509 122.459 119.914 0.059 0.000 2.623 3642 V HA 0.873 4.994 4.120 0.002 0.000 0.304 3642 V C -0.833 175.284 176.094 0.037 0.000 1.054 3642 V CA -0.507 61.819 62.300 0.044 0.000 0.882 3642 V CB 1.249 33.091 31.823 0.032 0.000 1.002 3642 V HN 1.108 nan 8.190 nan 0.000 0.424 3643 A N 7.416 130.257 122.820 0.036 0.000 2.325 3643 A HA 0.936 5.257 4.320 0.002 0.000 0.333 3643 A C -0.760 176.841 177.584 0.029 0.000 1.155 3643 A CA -0.661 51.396 52.037 0.034 0.000 0.814 3643 A CB 0.976 19.997 19.000 0.035 0.000 1.206 3643 A HN 0.879 nan 8.150 nan 0.000 0.482 3644 I N 1.447 122.033 120.570 0.027 0.000 2.499 3644 I HA 0.669 4.840 4.170 0.002 0.000 0.288 3644 I C 0.463 176.592 176.117 0.021 0.000 1.048 3644 I CA -0.275 61.039 61.300 0.024 0.000 1.062 3644 I CB 2.314 40.328 38.000 0.023 0.000 1.238 3644 I HN 0.852 nan 8.210 nan 0.000 0.426 3645 G N 3.641 112.451 108.800 0.016 0.000 2.619 3645 G HA2 0.255 4.216 3.960 0.002 0.000 0.305 3645 G HA3 0.255 4.216 3.960 0.002 0.000 0.305 3645 G C -1.806 173.095 174.900 0.000 0.000 1.330 3645 G CA -0.708 44.396 45.100 0.007 0.000 0.789 3645 G HN 0.629 nan 8.290 nan 0.000 0.487 3646 N N 0.597 119.289 118.700 -0.013 0.000 2.918 3646 N HA 0.393 5.134 4.740 0.002 0.000 0.270 3646 N C -1.544 173.920 175.510 -0.077 0.000 1.536 3646 N CA -1.674 51.370 53.050 -0.011 0.000 0.877 3646 N CB 1.610 40.105 38.487 0.013 0.000 1.190 3646 N HN 0.085 nan 8.380 nan 0.000 0.492 3647 P HA -0.186 nan 4.420 nan 0.000 0.216 3647 P C -0.182 176.658 177.300 -0.766 0.000 1.167 3647 P CA 1.700 64.466 63.100 -0.556 0.000 0.933 3647 P CB 0.098 31.412 31.700 -0.644 0.000 0.793 3648 F N -3.901 116.071 119.950 0.037 0.000 2.735 3648 F HA 0.493 5.021 4.527 0.002 0.000 0.308 3648 F C 1.648 177.469 175.800 0.035 0.000 1.112 3648 F CA 0.313 58.334 58.000 0.035 0.000 1.235 3648 F CB 0.259 39.276 39.000 0.028 0.000 1.027 3648 F HN 0.066 nan 8.300 nan 0.000 0.528 3649 G N 0.894 109.774 108.800 0.133 0.000 2.383 3649 G HA2 -0.347 3.614 3.960 0.002 0.000 0.229 3649 G HA3 -0.347 3.614 3.960 0.002 0.000 0.229 3649 G C 1.077 176.041 174.900 0.106 0.000 1.089 3649 G CA 0.280 45.444 45.100 0.106 0.000 0.640 3649 G HN 0.326 nan 8.290 nan 0.000 0.510 3650 L N 1.545 122.854 121.223 0.143 0.000 2.661 3650 L HA 0.364 4.705 4.340 0.002 0.000 0.236 3650 L C 1.662 178.585 176.870 0.089 0.000 1.176 3650 L CA 1.091 55.997 54.840 0.110 0.000 0.836 3650 L CB -1.281 40.850 42.059 0.120 0.000 0.960 3650 L HN 1.455 nan 8.230 nan 0.000 0.455 3651 G N -0.481 108.369 108.800 0.083 0.000 2.270 3651 G HA2 -0.057 3.905 3.960 0.002 0.000 0.268 3651 G HA3 -0.057 3.905 3.960 0.002 0.000 0.268 3651 G C -1.339 173.594 174.900 0.056 0.000 1.312 3651 G CA -0.856 44.282 45.100 0.063 0.000 1.050 3651 G HN -0.025 nan 8.290 nan 0.000 0.474 3652 E N 1.454 121.683 120.200 0.048 0.000 2.035 3652 E HA 0.507 4.858 4.350 0.002 0.000 0.271 3652 E C -0.382 176.244 176.600 0.043 0.000 0.953 3652 E CA -0.165 56.259 56.400 0.040 0.000 0.777 3652 E CB 1.087 30.807 29.700 0.034 0.000 1.104 3652 E HN 0.504 nan 8.360 nan 0.000 0.408 3653 T N 1.158 115.739 114.554 0.045 0.000 2.829 3653 T HA 0.390 4.741 4.350 0.002 0.000 0.282 3653 T C 0.154 174.877 174.700 0.038 0.000 0.990 3653 T CA -0.688 61.442 62.100 0.051 0.000 1.028 3653 T CB 1.633 70.542 68.868 0.068 0.000 0.951 3653 T HN 0.254 nan 8.240 nan 0.000 0.460 3654 V N 1.913 121.849 119.914 0.037 0.000 2.628 3654 V HA 0.890 5.011 4.120 0.002 0.000 0.306 3654 V C -0.465 175.649 176.094 0.034 0.000 1.045 3654 V CA -0.189 62.130 62.300 0.031 0.000 0.905 3654 V CB 1.983 33.822 31.823 0.025 0.000 0.997 3654 V HN 0.925 nan 8.190 nan 0.000 0.436 3655 T N 3.729 118.303 114.554 0.033 0.000 2.909 3655 T HA 0.713 5.064 4.350 0.002 0.000 0.299 3655 T C -0.460 174.260 174.700 0.033 0.000 1.073 3655 T CA 0.217 62.338 62.100 0.036 0.000 0.999 3655 T CB 1.635 70.528 68.868 0.041 0.000 1.098 3655 T HN 1.555 nan 8.240 nan 0.000 0.477 3656 S N 2.036 117.755 115.700 0.033 0.000 2.726 3656 S HA 1.033 5.504 4.470 0.002 0.000 0.308 3656 S C 0.274 174.908 174.600 0.057 0.000 1.115 3656 S CA 0.225 58.448 58.200 0.038 0.000 0.965 3656 S CB 1.699 64.907 63.200 0.014 0.000 1.145 3656 S HN 1.431 nan 8.310 nan 0.000 0.532 3657 G N 0.227 109.082 108.800 0.091 0.000 2.512 3657 G HA2 0.402 4.363 3.960 0.002 0.000 0.181 3657 G HA3 0.402 4.363 3.960 0.002 0.000 0.181 3657 G C -1.295 173.715 174.900 0.183 0.000 1.173 3657 G CA -0.190 44.981 45.100 0.119 0.000 0.988 3657 G HN 1.699 nan 8.290 nan 0.000 0.485 3658 I N -2.453 118.174 120.570 0.094 0.000 3.279 3658 I HA 0.785 4.956 4.170 0.002 0.000 0.315 3658 I C -0.762 175.344 176.117 -0.018 0.000 1.225 3658 I CA -1.424 59.892 61.300 0.027 0.000 0.947 3658 I CB 1.932 39.896 38.000 -0.060 0.000 1.293 3658 I HN 0.379 nan 8.210 nan 0.000 0.468 3659 V N 3.000 122.882 119.914 -0.054 0.000 2.397 3659 V HA 0.094 4.215 4.120 0.002 0.000 0.262 3659 V C 1.077 177.131 176.094 -0.067 0.000 1.047 3659 V CA 0.472 62.739 62.300 -0.056 0.000 1.003 3659 V CB 0.363 32.151 31.823 -0.059 0.000 1.037 3659 V HN 0.892 nan 8.190 nan 0.000 0.480 3660 S N 3.498 119.155 115.700 -0.072 0.000 2.406 3660 S HA 0.313 4.784 4.470 0.002 0.000 0.224 3660 S C 0.699 175.252 174.600 -0.078 0.000 1.030 3660 S CA 0.836 58.990 58.200 -0.075 0.000 0.958 3660 S CB 0.263 63.412 63.200 -0.086 0.000 0.811 3660 S HN 0.958 nan 8.310 nan 0.000 0.489 3661 A N 0.597 123.361 122.820 -0.092 0.000 2.513 3661 A HA 0.639 4.960 4.320 0.002 0.000 0.296 3661 A C -1.446 176.097 177.584 -0.069 0.000 1.052 3661 A CA -0.471 51.518 52.037 -0.079 0.000 0.714 3661 A CB 0.936 19.875 19.000 -0.102 0.000 1.279 3661 A HN 0.131 nan 8.150 nan 0.000 0.397 3662 L N 3.473 124.671 121.223 -0.041 0.000 2.956 3662 L HA 0.419 4.760 4.340 0.002 0.000 0.232 3662 L C 1.601 178.469 176.870 -0.003 0.000 1.291 3662 L CA 1.164 55.990 54.840 -0.024 0.000 1.122 3662 L CB -0.682 41.363 42.059 -0.023 0.000 1.461 3662 L HN 1.353 nan 8.230 nan 0.000 0.470 3663 G N 1.569 110.376 108.800 0.011 0.000 2.999 3663 G HA2 -0.479 3.482 3.960 0.002 0.000 0.335 3663 G HA3 -0.479 3.482 3.960 0.002 0.000 0.335 3663 G C 0.976 175.894 174.900 0.030 0.000 1.346 3663 G CA 1.084 46.212 45.100 0.046 0.000 1.351 3663 G HN 0.594 nan 8.290 nan 0.000 0.902 3664 R N -0.102 120.412 120.500 0.023 0.000 3.418 3664 R HA -0.124 4.217 4.340 0.002 0.000 0.274 3664 R C 0.625 176.935 176.300 0.018 0.000 1.108 3664 R CA 1.321 57.428 56.100 0.012 0.000 0.741 3664 R CB -1.985 28.317 30.300 0.004 0.000 1.223 3664 R HN 1.027 nan 8.270 nan 0.000 0.434 3665 E N -0.328 119.911 120.200 0.066 0.000 2.481 3665 E HA -0.139 4.212 4.350 0.002 0.000 0.263 3665 E C 0.134 176.742 176.600 0.014 0.000 0.992 3665 E CA 0.058 56.454 56.400 -0.007 0.000 0.938 3665 E CB 0.317 29.954 29.700 -0.106 0.000 0.933 3665 E HN 0.280 nan 8.360 nan 0.000 0.453 3666 N N 2.761 121.441 118.700 -0.033 0.000 3.063 3666 N HA -0.059 4.682 4.740 0.002 0.000 0.327 3666 N C -1.098 174.414 175.510 0.003 0.000 1.225 3666 N CA -0.022 53.025 53.050 -0.005 0.000 1.184 3666 N CB -1.238 37.233 38.487 -0.026 0.000 1.438 3666 N HN 0.349 nan 8.380 nan 0.000 0.555 3667 F N 0.716 120.685 119.950 0.032 0.000 2.572 3667 F HA 0.098 4.627 4.527 0.002 0.000 0.370 3667 F C 1.232 177.015 175.800 -0.028 0.000 1.103 3667 F CA -0.073 57.956 58.000 0.049 0.000 1.286 3667 F CB 0.496 39.587 39.000 0.152 0.000 1.105 3667 F HN 0.101 nan 8.300 nan 0.000 0.583 3668 I N 3.660 124.331 120.570 0.167 0.000 2.440 3668 I HA 0.185 4.356 4.170 0.002 0.000 0.294 3668 I C -0.249 175.808 176.117 -0.101 0.000 0.995 3668 I CA -0.516 60.797 61.300 0.022 0.000 1.306 3668 I CB 1.430 39.440 38.000 0.016 0.000 1.407 3668 I HN 0.513 nan 8.210 nan 0.000 0.501 3669 Q N 3.447 123.126 119.800 -0.201 0.000 2.316 3669 Q HA 0.491 4.832 4.340 0.002 0.000 0.264 3669 Q C -0.858 175.025 176.000 -0.196 0.000 0.987 3669 Q CA -0.350 55.228 55.803 -0.374 0.000 0.852 3669 Q CB 2.281 30.764 28.738 -0.425 0.000 1.287 3669 Q HN 0.658 nan 8.270 nan 0.000 0.448 3670 T N 0.515 114.971 114.554 -0.163 0.000 2.894 3670 T HA 0.179 4.530 4.350 0.002 0.000 0.309 3670 T C -0.630 174.047 174.700 -0.039 0.000 1.208 3670 T CA -0.681 61.377 62.100 -0.071 0.000 1.016 3670 T CB 0.945 69.796 68.868 -0.028 0.000 1.192 3670 T HN 0.709 nan 8.240 nan 0.000 0.491 3671 D N 1.806 122.198 120.400 -0.013 0.000 2.328 3671 D HA 0.229 4.870 4.640 0.002 0.000 0.226 3671 D C 0.798 177.114 176.300 0.027 0.000 1.066 3671 D CA -0.163 53.842 54.000 0.008 0.000 0.861 3671 D CB -0.101 40.706 40.800 0.013 0.000 0.912 3671 D HN 0.514 nan 8.370 nan 0.000 0.521 3672 A N 0.149 122.986 122.820 0.029 0.000 3.004 3672 A HA 0.653 4.974 4.320 0.002 0.000 0.286 3672 A C 0.532 178.139 177.584 0.038 0.000 1.632 3672 A CA -0.113 51.947 52.037 0.038 0.000 1.339 3672 A CB -0.520 18.505 19.000 0.043 0.000 1.136 3672 A HN 0.354 nan 8.150 nan 0.000 0.577 3673 A N 1.403 124.247 122.820 0.040 0.000 3.907 3673 A HA 0.946 5.267 4.320 0.002 0.000 0.166 3673 A C -0.778 176.828 177.584 0.036 0.000 0.948 3673 A CA -0.314 51.747 52.037 0.041 0.000 1.077 3673 A CB 0.423 19.453 19.000 0.051 0.000 1.553 3673 A HN 1.053 nan 8.150 nan 0.000 0.740 3674 I N -1.233 119.358 120.570 0.035 0.000 2.731 3674 I HA 0.250 4.422 4.170 0.002 0.000 0.286 3674 I C -0.964 175.192 176.117 0.065 0.000 1.421 3674 I CA -0.854 60.474 61.300 0.047 0.000 1.071 3674 I CB 0.973 38.968 38.000 -0.007 0.000 1.375 3674 I HN 0.415 nan 8.210 nan 0.000 0.425 3675 N N 5.799 124.563 118.700 0.107 0.000 2.429 3675 N HA 0.191 4.932 4.740 0.002 0.000 0.271 3675 N C 0.665 176.271 175.510 0.161 0.000 1.272 3675 N CA 0.625 53.741 53.050 0.110 0.000 0.921 3675 N CB 0.205 38.752 38.487 0.099 0.000 1.128 3675 N HN 0.671 nan 8.380 nan 0.000 0.481 3676 R N 0.100 120.666 120.500 0.109 0.000 3.840 3676 R HA -0.136 4.205 4.340 0.002 0.000 0.464 3676 R C 0.590 176.956 176.300 0.109 0.000 0.986 3676 R CA 1.111 57.285 56.100 0.125 0.000 1.305 3676 R CB -2.080 28.325 30.300 0.174 0.000 1.950 3676 R HN 0.604 nan 8.270 nan 0.000 0.526 3677 G N 0.387 109.175 108.800 -0.021 0.000 2.502 3677 G HA2 0.434 4.395 3.960 0.002 0.000 0.305 3677 G HA3 0.434 4.395 3.960 0.002 0.000 0.305 3677 G C -0.204 174.578 174.900 -0.197 0.000 1.190 3677 G CA -0.592 44.317 45.100 -0.318 0.000 0.933 3677 G HN 0.034 nan 8.290 nan 0.000 0.503 3678 N N 0.306 118.871 118.700 -0.224 0.000 2.497 3678 N HA 0.337 5.078 4.740 0.002 0.000 0.271 3678 N C 0.755 176.234 175.510 -0.052 0.000 1.142 3678 N CA 0.193 53.185 53.050 -0.096 0.000 0.965 3678 N CB 1.197 39.662 38.487 -0.037 0.000 1.077 3678 N HN 0.732 nan 8.380 nan 0.000 0.462 3679 S N 1.066 116.760 115.700 -0.009 0.000 2.973 3679 S HA 0.166 4.637 4.470 0.002 0.000 0.357 3679 S C 1.411 176.071 174.600 0.100 0.000 1.159 3679 S CA 0.128 58.356 58.200 0.046 0.000 1.423 3679 S CB -0.666 62.560 63.200 0.045 0.000 1.115 3679 S HN 0.598 nan 8.310 nan 0.000 0.563 3680 G N 2.407 111.233 108.800 0.044 0.000 2.355 3680 G HA2 0.429 4.390 3.960 0.002 0.000 0.175 3680 G HA3 0.429 4.390 3.960 0.002 0.000 0.175 3680 G C 1.050 175.983 174.900 0.055 0.000 1.624 3680 G CA 0.822 45.943 45.100 0.035 0.000 1.021 3680 G HN 1.180 nan 8.290 nan 0.000 0.465 3681 G N -0.913 107.911 108.800 0.041 0.000 2.509 3681 G HA2 0.508 4.469 3.960 0.002 0.000 0.168 3681 G HA3 0.508 4.469 3.960 0.002 0.000 0.168 3681 G C 0.392 175.317 174.900 0.042 0.000 1.415 3681 G CA 0.833 45.958 45.100 0.041 0.000 0.686 3681 G HN 1.119 nan 8.290 nan 0.000 0.677 3682 A N 0.485 123.324 122.820 0.032 0.000 2.363 3682 A HA 0.682 5.003 4.320 0.002 0.000 0.270 3682 A C -0.623 176.981 177.584 0.034 0.000 1.121 3682 A CA -0.111 51.945 52.037 0.031 0.000 0.800 3682 A CB 0.502 19.516 19.000 0.024 0.000 1.052 3682 A HN 0.452 nan 8.150 nan 0.000 0.493 3683 L N 4.044 125.288 121.223 0.035 0.000 2.349 3683 L HA 0.593 4.934 4.340 0.002 0.000 0.278 3683 L C -1.238 175.650 176.870 0.030 0.000 0.996 3683 L CA -0.446 54.416 54.840 0.036 0.000 0.825 3683 L CB 1.526 43.609 42.059 0.040 0.000 1.243 3683 L HN 0.516 nan 8.230 nan 0.000 0.412 3684 V N 4.251 124.184 119.914 0.031 0.000 2.823 3684 V HA 0.392 4.513 4.120 0.002 0.000 0.312 3684 V C -0.255 175.861 176.094 0.036 0.000 1.072 3684 V CA -0.798 61.519 62.300 0.029 0.000 0.937 3684 V CB 2.544 34.382 31.823 0.025 0.000 1.013 3684 V HN 0.944 nan 8.190 nan 0.000 0.430 3685 N N 3.391 122.112 118.700 0.035 0.000 2.418 3685 N HA 0.217 4.958 4.740 0.002 0.000 0.283 3685 N C 0.463 176.002 175.510 0.048 0.000 1.267 3685 N CA -0.555 52.523 53.050 0.047 0.000 0.975 3685 N CB 0.293 38.804 38.487 0.040 0.000 1.167 3685 N HN 0.319 nan 8.380 nan 0.000 0.581 3686 L N -0.723 120.538 121.223 0.063 0.000 2.549 3686 L HA 0.068 4.409 4.340 0.002 0.000 0.229 3686 L C 0.866 177.754 176.870 0.030 0.000 1.158 3686 L CA 1.097 55.966 54.840 0.048 0.000 0.842 3686 L CB -1.382 40.718 42.059 0.069 0.000 0.952 3686 L HN 0.558 nan 8.230 nan 0.000 0.452 3687 N N -0.588 118.130 118.700 0.029 0.000 2.236 3687 N HA 0.148 4.889 4.740 0.002 0.000 0.196 3687 N C 1.323 176.843 175.510 0.016 0.000 1.114 3687 N CA 0.791 53.853 53.050 0.020 0.000 0.859 3687 N CB 0.593 39.092 38.487 0.019 0.000 0.982 3687 N HN 0.252 nan 8.380 nan 0.000 0.493 3688 G N 0.711 109.522 108.800 0.018 0.000 2.143 3688 G HA2 -0.263 3.699 3.960 0.002 0.000 0.249 3688 G HA3 -0.263 3.699 3.960 0.002 0.000 0.249 3688 G C -0.246 174.663 174.900 0.015 0.000 0.981 3688 G CA -0.009 45.101 45.100 0.015 0.000 0.665 3688 G HN 0.421 nan 8.290 nan 0.000 0.528 3689 E N -0.543 119.667 120.200 0.016 0.000 2.231 3689 E HA 0.552 4.903 4.350 0.002 0.000 0.277 3689 E C 0.050 176.659 176.600 0.014 0.000 0.999 3689 E CA -1.082 55.326 56.400 0.013 0.000 0.827 3689 E CB 1.902 31.609 29.700 0.012 0.000 1.101 3689 E HN 0.184 nan 8.360 nan 0.000 0.393 3690 L N 4.304 125.534 121.223 0.012 0.000 2.418 3690 L HA 0.070 4.411 4.340 0.002 0.000 0.274 3690 L C 0.478 177.355 176.870 0.011 0.000 1.135 3690 L CA 0.660 55.508 54.840 0.013 0.000 0.870 3690 L CB 0.193 42.258 42.059 0.010 0.000 1.154 3690 L HN 0.672 nan 8.230 nan 0.000 0.462 3691 I N 1.451 122.030 120.570 0.014 0.000 4.187 3691 I HA 0.614 4.785 4.170 0.002 0.000 0.326 3691 I C 0.609 176.732 176.117 0.011 0.000 1.302 3691 I CA 0.227 61.534 61.300 0.011 0.000 1.196 3691 I CB 0.361 38.368 38.000 0.013 0.000 1.095 3691 I HN 0.625 nan 8.210 nan 0.000 0.411 3692 G N 1.457 110.268 108.800 0.019 0.000 2.519 3692 G HA2 0.533 4.494 3.960 0.002 0.000 0.292 3692 G HA3 0.533 4.494 3.960 0.002 0.000 0.292 3692 G C -2.143 172.779 174.900 0.037 0.000 1.507 3692 G CA -0.467 44.649 45.100 0.026 0.000 0.806 3692 G HN -0.023 nan 8.290 nan 0.000 0.523 3693 I N 1.039 121.637 120.570 0.046 0.000 2.362 3693 I HA 0.303 4.475 4.170 0.002 0.000 0.289 3693 I C 0.140 176.315 176.117 0.096 0.000 0.994 3693 I CA -1.031 60.303 61.300 0.057 0.000 1.158 3693 I CB 1.395 39.422 38.000 0.044 0.000 1.315 3693 I HN 0.448 nan 8.210 nan 0.000 0.451 3694 N N 3.342 122.101 118.700 0.099 0.000 2.492 3694 N HA 0.315 5.056 4.740 0.002 0.000 0.262 3694 N C -0.010 175.599 175.510 0.166 0.000 1.202 3694 N CA 0.227 53.358 53.050 0.134 0.000 0.926 3694 N CB 0.655 39.204 38.487 0.103 0.000 1.078 3694 N HN 0.628 nan 8.380 nan 0.000 0.454 3695 T N -0.156 114.524 114.554 0.210 0.000 2.858 3695 T HA 0.764 5.115 4.350 0.002 0.000 0.285 3695 T C -1.549 173.221 174.700 0.117 0.000 1.052 3695 T CA -0.799 61.432 62.100 0.218 0.000 1.009 3695 T CB 0.969 70.009 68.868 0.287 0.000 1.241 3695 T HN 0.426 nan 8.240 nan 0.000 0.542 3696 A N 2.146 124.980 122.820 0.023 0.000 2.285 3696 A HA 0.593 4.914 4.320 0.002 0.000 0.310 3696 A C 0.651 178.120 177.584 -0.191 0.000 1.266 3696 A CA -0.786 51.150 52.037 -0.168 0.000 0.832 3696 A CB -0.243 18.484 19.000 -0.456 0.000 1.163 3696 A HN 0.891 nan 8.150 nan 0.000 0.499 3697 I N 0.324 120.720 120.570 -0.290 0.000 3.862 3697 I HA 0.382 4.553 4.170 0.002 0.000 0.328 3697 I C -0.682 175.265 176.117 -0.284 0.000 1.474 3697 I CA 0.318 61.404 61.300 -0.356 0.000 1.215 3697 I CB -0.282 37.308 38.000 -0.683 0.000 1.183 3697 I HN 0.418 nan 8.210 nan 0.000 0.413 3698 L N 2.375 123.465 121.223 -0.222 0.000 2.861 3698 L HA 0.526 4.867 4.340 0.002 0.000 0.290 3698 L C 0.743 177.524 176.870 -0.148 0.000 1.346 3698 L CA -0.473 54.262 54.840 -0.175 0.000 0.779 3698 L CB 0.882 42.843 42.059 -0.164 0.000 1.143 3698 L HN 0.408 nan 8.230 nan 0.000 0.548 3699 A N 0.863 123.606 122.820 -0.128 0.000 2.561 3699 A HA 0.382 4.703 4.320 0.002 0.000 0.234 3699 A C -1.651 175.888 177.584 -0.075 0.000 1.055 3699 A CA -0.020 51.959 52.037 -0.097 0.000 0.756 3699 A CB -0.458 18.506 19.000 -0.061 0.000 0.986 3699 A HN 0.574 nan 8.150 nan 0.000 0.505 3700 P HA -0.100 nan 4.420 nan 0.000 0.014 3700 P C -0.247 177.011 177.300 -0.070 0.000 0.569 3700 P CA 1.422 64.486 63.100 -0.060 0.000 1.035 3700 P CB -0.415 31.257 31.700 -0.047 0.000 1.909 3701 D N -0.999 119.342 120.400 -0.098 0.000 3.084 3701 D HA 0.277 4.918 4.640 0.002 0.000 0.294 3701 D C 0.860 177.078 176.300 -0.137 0.000 1.165 3701 D CA 1.642 55.583 54.000 -0.097 0.000 1.008 3701 D CB 0.758 41.506 40.800 -0.087 0.000 1.266 3701 D HN 0.298 nan 8.370 nan 0.000 0.449 3702 G N -0.012 108.640 108.800 -0.246 0.000 2.767 3702 G HA2 0.377 4.338 3.960 0.002 0.000 0.686 3702 G HA3 0.377 4.338 3.960 0.002 0.000 0.686 3702 G C 0.240 175.041 174.900 -0.164 0.000 1.213 3702 G CA -0.314 44.593 45.100 -0.321 0.000 0.803 3702 G HN 0.949 nan 8.290 nan 0.000 0.603 3703 G N 1.395 110.110 108.800 -0.140 0.000 2.592 3703 G HA2 0.457 4.418 3.960 0.002 0.000 0.685 3703 G HA3 0.457 4.418 3.960 0.002 0.000 0.685 3703 G C -0.415 174.431 174.900 -0.091 0.000 1.278 3703 G CA 0.260 45.308 45.100 -0.087 0.000 0.822 3703 G HN 2.112 nan 8.290 nan 0.000 0.652 3704 N N 0.613 119.281 118.700 -0.054 0.000 2.485 3704 N HA 0.482 5.223 4.740 0.002 0.000 0.280 3704 N C 1.324 176.809 175.510 -0.042 0.000 1.205 3704 N CA -0.580 52.442 53.050 -0.046 0.000 0.959 3704 N CB 2.389 40.883 38.487 0.012 0.000 1.206 3704 N HN 0.739 nan 8.380 nan 0.000 0.545 3705 I N -1.840 118.702 120.570 -0.048 0.000 3.226 3705 I HA 0.116 4.287 4.170 0.002 0.000 0.277 3705 I C 0.796 176.927 176.117 0.024 0.000 1.243 3705 I CA 0.991 62.269 61.300 -0.036 0.000 1.459 3705 I CB -0.208 37.740 38.000 -0.085 0.000 1.093 3705 I HN 0.891 nan 8.210 nan 0.000 0.453 3706 G N 1.318 110.151 108.800 0.056 0.000 3.110 3706 G HA2 -0.025 3.936 3.960 0.002 0.000 0.205 3706 G HA3 -0.025 3.936 3.960 0.002 0.000 0.205 3706 G C -0.029 174.917 174.900 0.077 0.000 1.019 3706 G CA 0.053 45.189 45.100 0.059 0.000 0.826 3706 G HN 0.305 nan 8.290 nan 0.000 0.481 3707 I N 0.647 121.293 120.570 0.128 0.000 3.264 3707 I HA 0.722 4.893 4.170 0.002 0.000 0.315 3707 I C -0.006 176.223 176.117 0.187 0.000 1.154 3707 I CA -0.879 60.486 61.300 0.109 0.000 0.962 3707 I CB 2.131 40.163 38.000 0.054 0.000 1.265 3707 I HN 0.162 nan 8.210 nan 0.000 0.463 3708 G N 2.268 111.120 108.800 0.087 0.000 2.356 3708 G HA2 0.591 4.552 3.960 0.002 0.000 0.322 3708 G HA3 0.591 4.552 3.960 0.002 0.000 0.322 3708 G C -1.637 173.282 174.900 0.032 0.000 1.125 3708 G CA -0.202 44.983 45.100 0.143 0.000 0.885 3708 G HN 0.256 nan 8.290 nan 0.000 0.467 3709 F N 1.274 121.223 119.950 -0.002 0.000 2.402 3709 F HA 0.657 5.185 4.527 0.002 0.000 0.355 3709 F C 0.561 176.459 175.800 0.164 0.000 1.123 3709 F CA -0.904 57.114 58.000 0.030 0.000 1.021 3709 F CB 2.131 41.032 39.000 -0.165 0.000 1.160 3709 F HN 0.623 nan 8.300 nan 0.000 0.451 3710 A N 4.161 127.170 122.820 0.315 0.000 2.374 3710 A HA 0.808 5.129 4.320 0.002 0.000 0.317 3710 A C -0.686 177.048 177.584 0.250 0.000 1.094 3710 A CA -0.731 51.466 52.037 0.265 0.000 0.765 3710 A CB 0.992 20.071 19.000 0.132 0.000 1.268 3710 A HN 0.543 nan 8.150 nan 0.000 0.438 3711 I N 2.766 123.418 120.570 0.138 0.000 2.529 3711 I HA 0.239 4.410 4.170 0.002 0.000 0.284 3711 I C -2.007 174.096 176.117 -0.022 0.000 1.082 3711 I CA -1.839 59.436 61.300 -0.042 0.000 1.406 3711 I CB 0.673 38.636 38.000 -0.063 0.000 1.405 3711 I HN 0.406 nan 8.210 nan 0.000 0.548 3712 P HA 0.067 nan 4.420 nan 0.000 0.271 3712 P C 0.818 178.101 177.300 -0.028 0.000 1.218 3712 P CA -0.180 62.901 63.100 -0.031 0.000 0.780 3712 P CB 0.691 32.367 31.700 -0.040 0.000 0.901 3713 S N 2.444 118.136 115.700 -0.014 0.000 2.380 3713 S HA -0.287 4.184 4.470 0.002 0.000 0.229 3713 S C 1.487 176.075 174.600 -0.020 0.000 1.043 3713 S CA 1.816 60.009 58.200 -0.012 0.000 1.038 3713 S CB -1.537 61.660 63.200 -0.005 0.000 0.872 3713 S HN 0.512 nan 8.310 nan 0.000 0.456 3714 N N 0.645 119.331 118.700 -0.023 0.000 2.166 3714 N HA -0.072 4.669 4.740 0.002 0.000 0.186 3714 N C 1.795 177.285 175.510 -0.033 0.000 1.019 3714 N CA 1.515 54.550 53.050 -0.025 0.000 0.856 3714 N CB -0.246 38.227 38.487 -0.023 0.000 0.993 3714 N HN 0.400 nan 8.380 nan 0.000 0.426 3715 M N 0.910 120.483 119.600 -0.045 0.000 2.200 3715 M HA -0.028 4.453 4.480 0.002 0.000 0.265 3715 M C 1.668 177.939 176.300 -0.050 0.000 1.066 3715 M CA 1.187 56.453 55.300 -0.057 0.000 1.127 3715 M CB -0.086 32.460 32.600 -0.089 0.000 1.379 3715 M HN -0.125 nan 8.290 nan 0.000 0.420 3716 V N 0.546 120.435 119.914 -0.043 0.000 2.343 3716 V HA -0.296 3.825 4.120 0.002 0.000 0.247 3716 V C 2.439 178.511 176.094 -0.036 0.000 1.051 3716 V CA 2.231 64.510 62.300 -0.035 0.000 1.036 3716 V CB -1.211 30.598 31.823 -0.023 0.000 0.654 3716 V HN 0.578 nan 8.190 nan 0.000 0.451 3717 K N 0.778 121.160 120.400 -0.032 0.000 2.032 3717 K HA -0.291 4.030 4.320 0.002 0.000 0.209 3717 K C 2.077 178.655 176.600 -0.037 0.000 1.048 3717 K CA 2.330 58.597 56.287 -0.032 0.000 0.927 3717 K CB -0.314 32.172 32.500 -0.024 0.000 0.712 3717 K HN 0.514 nan 8.250 nan 0.000 0.441 3718 N N 0.302 118.983 118.700 -0.032 0.000 2.084 3718 N HA -0.149 4.592 4.740 0.002 0.000 0.190 3718 N C 1.883 177.380 175.510 -0.023 0.000 1.030 3718 N CA 1.398 54.433 53.050 -0.025 0.000 0.849 3718 N CB -0.088 38.386 38.487 -0.021 0.000 1.012 3718 N HN 0.172 nan 8.380 nan 0.000 0.423 3719 L N -0.807 120.398 121.223 -0.030 0.000 2.141 3719 L HA -0.095 4.246 4.340 0.002 0.000 0.209 3719 L C 2.430 179.276 176.870 -0.039 0.000 1.094 3719 L CA 1.096 55.920 54.840 -0.026 0.000 0.763 3719 L CB -0.692 41.347 42.059 -0.033 0.000 0.908 3719 L HN 0.277 nan 8.230 nan 0.000 0.437 3720 T N -1.175 113.343 114.554 -0.059 0.000 2.777 3720 T HA -0.143 4.208 4.350 0.002 0.000 0.266 3720 T C 2.114 176.735 174.700 -0.131 0.000 1.040 3720 T CA 1.690 63.732 62.100 -0.096 0.000 1.141 3720 T CB 0.019 68.831 68.868 -0.093 0.000 0.868 3720 T HN 0.302 nan 8.240 nan 0.000 0.444 3721 S N 1.221 116.857 115.700 -0.107 0.000 2.382 3721 S HA -0.119 4.352 4.470 0.002 0.000 0.228 3721 S C 2.111 176.624 174.600 -0.145 0.000 1.027 3721 S CA 1.030 59.151 58.200 -0.131 0.000 0.991 3721 S CB -0.318 62.825 63.200 -0.095 0.000 0.823 3721 S HN 0.571 nan 8.310 nan 0.000 0.469 3722 Q N 0.670 120.434 119.800 -0.059 0.000 2.061 3722 Q HA -0.087 4.255 4.340 0.002 0.000 0.204 3722 Q C 2.300 178.303 176.000 0.005 0.000 0.984 3722 Q CA 1.442 57.268 55.803 0.038 0.000 0.846 3722 Q CB -0.358 28.471 28.738 0.152 0.000 0.902 3722 Q HN 0.593 nan 8.270 nan 0.000 0.421 3723 M N -0.272 119.305 119.600 -0.038 0.000 2.108 3723 M HA -0.180 4.301 4.480 0.002 0.000 0.261 3723 M C 2.249 178.488 176.300 -0.103 0.000 1.066 3723 M CA 1.172 56.441 55.300 -0.051 0.000 1.107 3723 M CB -0.597 31.954 32.600 -0.081 0.000 1.356 3723 M HN 0.060 nan 8.290 nan 0.000 0.406 3724 V N 1.140 120.941 119.914 -0.189 0.000 2.216 3724 V HA -0.249 3.872 4.120 0.002 0.000 0.243 3724 V C 1.754 177.744 176.094 -0.173 0.000 1.044 3724 V CA 2.116 64.289 62.300 -0.213 0.000 0.995 3724 V CB -0.722 30.937 31.823 -0.275 0.000 0.633 3724 V HN 0.508 nan 8.190 nan 0.000 0.446 3725 E N -1.868 118.158 120.200 -0.289 0.000 2.485 3725 E HA -0.029 4.322 4.350 0.002 0.000 0.194 3725 E C 0.703 176.944 176.600 -0.598 0.000 1.098 3725 E CA 0.625 56.756 56.400 -0.448 0.000 0.878 3725 E CB -0.017 29.309 29.700 -0.623 0.000 0.939 3725 E HN 0.833 nan 8.360 nan 0.000 0.503 3726 Y N -2.520 117.766 120.300 -0.024 0.000 2.463 3726 Y HA 0.229 4.780 4.550 0.002 0.000 0.288 3726 Y C 1.651 177.540 175.900 -0.018 0.000 1.041 3726 Y CA -0.289 57.800 58.100 -0.019 0.000 1.054 3726 Y CB 1.457 39.904 38.460 -0.022 0.000 1.380 3726 Y HN 0.130 nan 8.280 nan 0.000 0.581 3727 G N 1.002 109.865 108.800 0.105 0.000 2.284 3727 G HA2 -0.191 3.770 3.960 0.002 0.000 0.216 3727 G HA3 -0.191 3.770 3.960 0.002 0.000 0.216 3727 G C 0.030 174.959 174.900 0.049 0.000 1.009 3727 G CA 0.242 45.377 45.100 0.059 0.000 0.625 3727 G HN 0.421 nan 8.290 nan 0.000 0.501 3728 Q N -0.862 118.988 119.800 0.084 0.000 2.738 3728 Q HA 0.621 4.962 4.340 0.002 0.000 0.301 3728 Q C -0.541 175.508 176.000 0.081 0.000 0.901 3728 Q CA -0.558 55.277 55.803 0.053 0.000 0.756 3728 Q CB 1.777 30.530 28.738 0.026 0.000 1.463 3728 Q HN 1.181 nan 8.270 nan 0.000 0.432 3729 V N -0.544 119.395 119.914 0.041 0.000 2.498 3729 V HA 0.464 4.585 4.120 0.002 0.000 0.279 3729 V C -0.178 175.914 176.094 -0.003 0.000 1.048 3729 V CA -0.792 61.531 62.300 0.038 0.000 0.967 3729 V CB 0.824 32.656 31.823 0.015 0.000 0.988 3729 V HN 0.674 nan 8.190 nan 0.000 0.473 3730 K N 4.827 125.211 120.400 -0.028 0.000 2.081 3730 K HA 0.190 4.511 4.320 0.002 0.000 0.230 3730 K C 0.375 176.941 176.600 -0.057 0.000 1.199 3730 K CA 0.336 56.571 56.287 -0.087 0.000 1.130 3730 K CB -0.445 31.961 32.500 -0.158 0.000 1.386 3730 K HN 0.915 nan 8.250 nan 0.000 0.280 3731 R N 0.299 120.773 120.500 -0.044 0.000 2.409 3731 R HA 0.551 4.893 4.340 0.002 0.000 0.313 3731 R C -0.044 176.233 176.300 -0.039 0.000 0.953 3731 R CA -0.897 55.180 56.100 -0.038 0.000 0.849 3731 R CB 1.247 31.529 30.300 -0.029 0.000 1.171 3731 R HN 0.301 nan 8.270 nan 0.000 0.458 3732 G N 2.603 111.378 108.800 -0.041 0.000 2.415 3732 G HA2 0.260 4.221 3.960 0.002 0.000 0.269 3732 G HA3 0.260 4.221 3.960 0.002 0.000 0.269 3732 G C -0.572 174.307 174.900 -0.034 0.000 1.209 3732 G CA -0.664 44.413 45.100 -0.038 0.000 0.835 3732 G HN 0.791 nan 8.290 nan 0.000 0.534 3733 E N 1.222 121.405 120.200 -0.028 0.000 2.207 3733 E HA 0.373 4.724 4.350 0.002 0.000 0.270 3733 E C -0.077 176.510 176.600 -0.021 0.000 0.927 3733 E CA -0.998 55.387 56.400 -0.024 0.000 0.799 3733 E CB 1.846 31.538 29.700 -0.014 0.000 1.172 3733 E HN 0.259 nan 8.360 nan 0.000 0.404 3734 L N 2.607 123.818 121.223 -0.021 0.000 2.591 3734 L HA 0.256 4.598 4.340 0.002 0.000 0.228 3734 L C 1.366 178.236 176.870 0.000 0.000 1.133 3734 L CA 1.504 56.336 54.840 -0.014 0.000 0.880 3734 L CB -0.527 41.520 42.059 -0.019 0.000 1.033 3734 L HN 1.065 nan 8.230 nan 0.000 0.450 3735 G N 0.407 109.210 108.800 0.005 0.000 2.212 3735 G HA2 -0.348 3.613 3.960 0.002 0.000 0.267 3735 G HA3 -0.348 3.613 3.960 0.002 0.000 0.267 3735 G C 0.460 175.375 174.900 0.024 0.000 1.002 3735 G CA 0.930 46.037 45.100 0.012 0.000 0.729 3735 G HN 0.604 nan 8.290 nan 0.000 0.517 3736 I N -2.465 118.134 120.570 0.048 0.000 2.934 3736 I HA 0.888 5.059 4.170 0.002 0.000 0.315 3736 I C 0.292 176.476 176.117 0.111 0.000 0.997 3736 I CA -1.432 59.905 61.300 0.062 0.000 1.184 3736 I CB 1.123 39.179 38.000 0.094 0.000 1.400 3736 I HN 0.024 nan 8.210 nan 0.000 0.549 3737 M N 2.609 122.246 119.600 0.062 0.000 2.433 3737 M HA 0.735 5.216 4.480 0.002 0.000 0.290 3737 M C -0.281 175.924 176.300 -0.159 0.000 1.173 3737 M CA -0.396 54.924 55.300 0.033 0.000 0.905 3737 M CB 2.084 34.673 32.600 -0.019 0.000 1.692 3737 M HN 1.106 nan 8.290 nan 0.000 0.462 3738 G N 1.025 109.538 108.800 -0.479 0.000 2.335 3738 G HA2 0.649 4.610 3.960 0.002 0.000 0.291 3738 G HA3 0.649 4.610 3.960 0.002 0.000 0.291 3738 G C -1.081 173.094 174.900 -1.209 0.000 1.261 3738 G CA 0.211 44.910 45.100 -0.668 0.000 0.871 3738 G HN 0.827 nan 8.290 nan 0.000 0.491 3739 T N -3.082 111.011 114.554 -0.768 0.000 2.611 3739 T HA 0.681 5.032 4.350 0.002 0.000 0.269 3739 T C -0.807 173.845 174.700 -0.081 0.000 1.032 3739 T CA -0.541 61.223 62.100 -0.560 0.000 1.178 3739 T CB 1.358 70.064 68.868 -0.271 0.000 1.651 3739 T HN 0.533 nan 8.240 nan 0.000 0.456 3740 E N 0.347 120.562 120.200 0.026 0.000 2.405 3740 E HA 0.407 4.758 4.350 0.002 0.000 0.253 3740 E C 0.601 177.255 176.600 0.090 0.000 1.257 3740 E CA -0.514 55.940 56.400 0.091 0.000 0.960 3740 E CB 0.347 30.085 29.700 0.063 0.000 1.077 3740 E HN 0.552 nan 8.360 nan 0.000 0.512 3741 L N 1.575 122.816 121.223 0.031 0.000 2.653 3741 L HA 0.105 4.446 4.340 0.002 0.000 0.232 3741 L C 1.140 177.966 176.870 -0.073 0.000 1.169 3741 L CA 0.039 54.839 54.840 -0.067 0.000 0.951 3741 L CB -0.175 41.839 42.059 -0.075 0.000 1.181 3741 L HN 0.183 nan 8.230 nan 0.000 0.460 3742 N N -0.817 117.866 118.700 -0.027 0.000 2.407 3742 N HA 0.013 4.754 4.740 0.002 0.000 0.182 3742 N C 0.856 176.354 175.510 -0.019 0.000 1.079 3742 N CA 0.269 53.303 53.050 -0.027 0.000 0.882 3742 N CB 0.309 38.789 38.487 -0.011 0.000 1.106 3742 N HN 0.256 nan 8.380 nan 0.000 0.461 3743 S N 1.432 117.136 115.700 0.007 0.000 2.542 3743 S HA -0.074 4.397 4.470 0.002 0.000 0.287 3743 S C 1.156 175.766 174.600 0.016 0.000 1.315 3743 S CA 0.053 58.268 58.200 0.025 0.000 1.037 3743 S CB 0.646 63.893 63.200 0.078 0.000 0.822 3743 S HN 0.222 nan 8.310 nan 0.000 0.513 3744 E N 1.003 121.211 120.200 0.015 0.000 2.209 3744 E HA -0.137 4.215 4.350 0.002 0.000 0.196 3744 E C 1.623 178.240 176.600 0.028 0.000 0.993 3744 E CA 1.245 57.650 56.400 0.008 0.000 0.819 3744 E CB -0.427 29.274 29.700 0.002 0.000 0.745 3744 E HN 0.638 nan 8.360 nan 0.000 0.477 3745 L N 0.144 121.418 121.223 0.084 0.000 2.313 3745 L HA 0.004 4.345 4.340 0.002 0.000 0.214 3745 L C 2.372 179.346 176.870 0.173 0.000 1.119 3745 L CA 0.419 55.359 54.840 0.166 0.000 0.809 3745 L CB -0.218 41.984 42.059 0.237 0.000 0.933 3745 L HN 0.131 nan 8.230 nan 0.000 0.449 3746 A N -0.071 122.745 122.820 -0.007 0.000 2.067 3746 A HA -0.085 4.236 4.320 0.002 0.000 0.217 3746 A C 2.260 179.694 177.584 -0.250 0.000 1.156 3746 A CA 0.916 52.684 52.037 -0.448 0.000 0.683 3746 A CB -0.008 18.703 19.000 -0.481 0.000 0.808 3746 A HN 0.278 nan 8.150 nan 0.000 0.455 3747 K N -0.560 119.772 120.400 -0.113 0.000 2.121 3747 K HA 0.216 4.537 4.320 0.002 0.000 0.203 3747 K C 2.112 178.682 176.600 -0.049 0.000 1.041 3747 K CA 0.752 56.992 56.287 -0.079 0.000 0.969 3747 K CB -0.187 32.281 32.500 -0.052 0.000 0.799 3747 K HN 0.298 nan 8.250 nan 0.000 0.456 3748 A N 0.949 123.756 122.820 -0.021 0.000 2.234 3748 A HA -0.082 4.239 4.320 0.002 0.000 0.216 3748 A C 1.691 179.277 177.584 0.003 0.000 1.167 3748 A CA 1.340 53.374 52.037 -0.004 0.000 0.698 3748 A CB -0.421 18.585 19.000 0.011 0.000 0.779 3748 A HN 0.240 nan 8.150 nan 0.000 0.475 3749 M N -1.052 118.544 119.600 -0.006 0.000 2.300 3749 M HA 0.135 4.616 4.480 0.002 0.000 0.313 3749 M C -0.758 175.518 176.300 -0.040 0.000 0.988 3749 M CA -0.192 55.112 55.300 0.006 0.000 1.012 3749 M CB 0.533 33.181 32.600 0.080 0.000 1.586 3749 M HN 0.194 nan 8.290 nan 0.000 0.562 3750 K N 2.117 122.474 120.400 -0.072 0.000 5.307 3750 K HA -0.120 4.201 4.320 0.002 0.000 0.461 3750 K C -0.504 176.029 176.600 -0.111 0.000 1.070 3750 K CA 0.231 56.466 56.287 -0.086 0.000 1.173 3750 K CB -1.604 30.866 32.500 -0.051 0.000 1.918 3750 K HN 0.330 nan 8.250 nan 0.000 0.321 3751 V N -0.352 119.456 119.914 -0.178 0.000 2.407 3751 V HA 0.300 4.421 4.120 0.002 0.000 0.278 3751 V C 0.469 176.490 176.094 -0.121 0.000 1.037 3751 V CA -0.946 61.240 62.300 -0.191 0.000 0.900 3751 V CB 1.558 33.157 31.823 -0.373 0.000 0.983 3751 V HN 0.410 nan 8.190 nan 0.000 0.459 3752 D N 3.702 124.056 120.400 -0.075 0.000 2.341 3752 D HA 0.468 5.110 4.640 0.002 0.000 0.245 3752 D C 0.828 177.101 176.300 -0.045 0.000 1.106 3752 D CA 1.057 55.027 54.000 -0.049 0.000 0.905 3752 D CB 1.513 42.295 40.800 -0.029 0.000 1.202 3752 D HN 1.505 nan 8.370 nan 0.000 0.426 3753 A N 2.543 125.342 122.820 -0.035 0.000 1.786 3753 A HA -0.251 4.070 4.320 0.002 0.000 0.237 3753 A C -0.101 177.463 177.584 -0.033 0.000 1.309 3753 A CA 0.532 52.554 52.037 -0.026 0.000 0.713 3753 A CB -1.536 17.456 19.000 -0.014 0.000 1.194 3753 A HN 0.537 nan 8.150 nan 0.000 0.252 3754 Q N 0.694 120.471 119.800 -0.040 0.000 2.398 3754 Q HA 0.570 4.911 4.340 0.002 0.000 0.251 3754 Q C 0.201 176.189 176.000 -0.020 0.000 0.999 3754 Q CA -0.245 55.531 55.803 -0.045 0.000 0.874 3754 Q CB 0.836 29.533 28.738 -0.069 0.000 1.215 3754 Q HN 0.818 nan 8.270 nan 0.000 0.470 3755 R N 0.405 120.902 120.500 -0.004 0.000 2.812 3755 R HA 0.496 4.837 4.340 0.002 0.000 0.179 3755 R C -0.569 175.748 176.300 0.028 0.000 1.407 3755 R CA -0.350 55.757 56.100 0.011 0.000 1.031 3755 R CB -0.246 30.059 30.300 0.007 0.000 1.491 3755 R HN 0.642 nan 8.270 nan 0.000 0.619 3756 G N -0.110 108.719 108.800 0.047 0.000 2.348 3756 G HA2 0.603 4.564 3.960 0.002 0.000 0.296 3756 G HA3 0.603 4.564 3.960 0.002 0.000 0.296 3756 G C -1.599 173.376 174.900 0.124 0.000 1.258 3756 G CA -0.356 44.789 45.100 0.074 0.000 0.868 3756 G HN 0.544 nan 8.290 nan 0.000 0.488 3757 A N -0.175 122.744 122.820 0.165 0.000 2.260 3757 A HA 0.681 5.002 4.320 0.002 0.000 0.308 3757 A C -0.697 177.063 177.584 0.293 0.000 1.254 3757 A CA -0.496 51.701 52.037 0.266 0.000 0.874 3757 A CB 0.237 19.428 19.000 0.317 0.000 1.153 3757 A HN 1.118 nan 8.150 nan 0.000 0.527 3758 F N 3.830 123.818 119.950 0.063 0.000 2.445 3758 F HA 0.402 4.930 4.527 0.002 0.000 0.359 3758 F C -0.093 175.698 175.800 -0.016 0.000 1.101 3758 F CA -0.695 57.307 58.000 0.004 0.000 1.177 3758 F CB 0.897 39.873 39.000 -0.039 0.000 1.110 3758 F HN 0.305 nan 8.300 nan 0.000 0.522 3759 V N 6.839 126.656 119.914 -0.162 0.000 2.356 3759 V HA -0.020 4.102 4.120 0.002 0.000 0.258 3759 V C 0.778 176.449 176.094 -0.704 0.000 1.065 3759 V CA 0.221 62.337 62.300 -0.307 0.000 0.935 3759 V CB 0.641 32.411 31.823 -0.088 0.000 1.061 3759 V HN 0.951 nan 8.190 nan 0.000 0.484 3760 S N 4.138 119.421 115.700 -0.695 0.000 2.436 3760 S HA 0.026 4.497 4.470 0.002 0.000 0.228 3760 S C 0.602 175.007 174.600 -0.326 0.000 1.014 3760 S CA 0.912 58.738 58.200 -0.624 0.000 0.950 3760 S CB 0.057 62.979 63.200 -0.464 0.000 0.784 3760 S HN 0.947 nan 8.310 nan 0.000 0.504 3761 Q N -0.777 118.885 119.800 -0.231 0.000 2.617 3761 Q HA 0.518 4.859 4.340 0.002 0.000 0.270 3761 Q C -1.611 174.338 176.000 -0.084 0.000 0.967 3761 Q CA -0.833 54.891 55.803 -0.133 0.000 0.887 3761 Q CB 1.446 30.119 28.738 -0.108 0.000 1.516 3761 Q HN -0.015 nan 8.270 nan 0.000 0.395 3762 V N 3.414 123.294 119.914 -0.056 0.000 2.370 3762 V HA 0.436 4.557 4.120 0.002 0.000 0.279 3762 V C -0.352 175.727 176.094 -0.024 0.000 1.029 3762 V CA -0.706 61.577 62.300 -0.030 0.000 0.870 3762 V CB 1.051 32.861 31.823 -0.022 0.000 0.984 3762 V HN 0.812 nan 8.190 nan 0.000 0.451 3763 L N 9.038 130.253 121.223 -0.014 0.000 2.485 3763 L HA 0.259 4.600 4.340 0.002 0.000 0.275 3763 L C -1.924 174.939 176.870 -0.012 0.000 1.207 3763 L CA -1.228 53.605 54.840 -0.012 0.000 0.855 3763 L CB 0.856 42.912 42.059 -0.004 0.000 1.114 3763 L HN 0.534 nan 8.230 nan 0.000 0.485 3764 P HA -0.001 nan 4.420 nan 0.000 0.269 3764 P C -0.244 177.049 177.300 -0.011 0.000 1.215 3764 P CA 0.041 63.134 63.100 -0.012 0.000 0.780 3764 P CB 0.235 31.927 31.700 -0.013 0.000 0.898 3765 N N -2.026 116.668 118.700 -0.010 0.000 2.666 3765 N HA -0.194 4.547 4.740 0.002 0.000 0.248 3765 N C -0.093 175.411 175.510 -0.010 0.000 1.118 3765 N CA 0.427 53.471 53.050 -0.010 0.000 0.722 3765 N CB -0.961 37.520 38.487 -0.011 0.000 1.050 3765 N HN 0.550 nan 8.380 nan 0.000 0.550 3766 S N -2.107 113.587 115.700 -0.009 0.000 2.730 3766 S HA 0.449 4.920 4.470 0.002 0.000 0.284 3766 S C 1.141 175.736 174.600 -0.009 0.000 1.153 3766 S CA -0.214 57.981 58.200 -0.009 0.000 0.995 3766 S CB 1.999 65.195 63.200 -0.007 0.000 1.058 3766 S HN 0.081 nan 8.310 nan 0.000 0.552 3767 S N -0.124 115.570 115.700 -0.009 0.000 2.425 3767 S HA 0.083 4.554 4.470 0.002 0.000 0.225 3767 S C 1.971 176.567 174.600 -0.007 0.000 1.024 3767 S CA 0.775 58.969 58.200 -0.009 0.000 0.951 3767 S CB -1.107 62.086 63.200 -0.012 0.000 0.796 3767 S HN 0.891 nan 8.310 nan 0.000 0.498 3768 A N 1.431 124.249 122.820 -0.005 0.000 1.898 3768 A HA 0.235 4.556 4.320 0.002 0.000 0.216 3768 A C 2.398 179.980 177.584 -0.003 0.000 1.181 3768 A CA 1.747 53.783 52.037 -0.002 0.000 0.620 3768 A CB -1.303 17.698 19.000 0.003 0.000 0.819 3768 A HN 0.673 nan 8.150 nan 0.000 0.442 3769 A N -0.194 122.623 122.820 -0.005 0.000 1.841 3769 A HA -0.129 4.192 4.320 0.002 0.000 0.214 3769 A C 2.188 179.769 177.584 -0.006 0.000 1.195 3769 A CA 1.998 54.031 52.037 -0.007 0.000 0.611 3769 A CB -0.536 18.459 19.000 -0.009 0.000 0.835 3769 A HN 0.343 nan 8.150 nan 0.000 0.443 3770 K N 0.250 120.646 120.400 -0.007 0.000 1.987 3770 K HA -0.180 4.141 4.320 0.002 0.000 0.216 3770 K C 2.164 178.761 176.600 -0.006 0.000 1.051 3770 K CA 2.083 58.365 56.287 -0.007 0.000 0.942 3770 K CB -0.908 31.587 32.500 -0.008 0.000 0.722 3770 K HN 0.363 nan 8.250 nan 0.000 0.444 3771 A N -0.077 122.739 122.820 -0.005 0.000 1.972 3771 A HA 0.083 4.404 4.320 0.002 0.000 0.219 3771 A C 0.865 178.447 177.584 -0.002 0.000 1.169 3771 A CA 1.724 53.759 52.037 -0.004 0.000 0.635 3771 A CB -0.518 18.479 19.000 -0.004 0.000 0.810 3771 A HN 0.630 nan 8.150 nan 0.000 0.446 3772 G N -1.740 107.059 108.800 -0.002 0.000 2.957 3772 G HA2 0.366 4.327 3.960 0.002 0.000 0.636 3772 G HA3 0.366 4.327 3.960 0.002 0.000 0.636 3772 G C -0.950 173.952 174.900 0.002 0.000 1.401 3772 G CA -0.267 44.833 45.100 0.000 0.000 0.941 3772 G HN 0.846 nan 8.290 nan 0.000 0.610 3773 I N 0.462 121.034 120.570 0.002 0.000 2.397 3773 I HA 0.278 4.449 4.170 0.002 0.000 0.311 3773 I C -1.098 175.019 176.117 0.000 0.000 2.151 3773 I CA -0.944 60.359 61.300 0.005 0.000 0.931 3773 I CB 2.179 40.183 38.000 0.006 0.000 1.653 3773 I HN 0.641 nan 8.210 nan 0.000 0.634 3774 K N 3.107 123.508 120.400 0.002 0.000 2.523 3774 K HA 0.729 5.050 4.320 0.002 0.000 0.257 3774 K C -0.644 175.950 176.600 -0.011 0.000 0.932 3774 K CA -0.709 55.574 56.287 -0.006 0.000 0.812 3774 K CB 2.371 34.871 32.500 -0.000 0.000 1.326 3774 K HN 0.662 nan 8.250 nan 0.000 0.433 3775 A N 0.932 123.728 122.820 -0.040 0.000 2.609 3775 A HA 0.322 4.643 4.320 0.002 0.000 0.232 3775 A C 1.224 178.801 177.584 -0.013 0.000 1.041 3775 A CA 1.801 53.787 52.037 -0.085 0.000 0.753 3775 A CB -0.671 18.258 19.000 -0.118 0.000 0.966 3775 A HN 1.034 nan 8.150 nan 0.000 0.510 3776 G N 1.508 110.317 108.800 0.015 0.000 2.604 3776 G HA2 -0.191 3.770 3.960 0.002 0.000 0.205 3776 G HA3 -0.191 3.770 3.960 0.002 0.000 0.205 3776 G C -0.009 175.070 174.900 0.300 0.000 1.186 3776 G CA 0.182 45.459 45.100 0.294 0.000 0.753 3776 G HN 0.933 nan 8.290 nan 0.000 0.526 3777 D N 1.312 121.801 120.400 0.148 0.000 2.548 3777 D HA 0.333 4.974 4.640 0.002 0.000 0.231 3777 D C 0.398 176.800 176.300 0.171 0.000 1.142 3777 D CA 0.716 54.789 54.000 0.122 0.000 0.866 3777 D CB 1.693 42.536 40.800 0.072 0.000 1.190 3777 D HN 0.363 nan 8.370 nan 0.000 0.469 3778 V N 3.597 123.598 119.914 0.145 0.000 2.334 3778 V HA 0.154 4.275 4.120 0.002 0.000 0.281 3778 V C 0.489 176.645 176.094 0.104 0.000 1.016 3778 V CA -0.919 61.476 62.300 0.159 0.000 0.832 3778 V CB 1.025 32.919 31.823 0.119 0.000 0.999 3778 V HN 0.299 nan 8.190 nan 0.000 0.439 3779 I N 4.383 125.017 120.570 0.106 0.000 2.710 3779 I HA 0.074 4.245 4.170 0.002 0.000 0.286 3779 I C 1.463 177.616 176.117 0.061 0.000 1.181 3779 I CA 1.116 62.459 61.300 0.073 0.000 1.430 3779 I CB 0.877 38.917 38.000 0.067 0.000 1.367 3779 I HN 0.689 nan 8.210 nan 0.000 0.577 3780 T N 2.320 116.899 114.554 0.042 0.000 2.969 3780 T HA 0.190 4.541 4.350 0.002 0.000 0.250 3780 T C 0.292 175.006 174.700 0.023 0.000 1.021 3780 T CA 0.357 62.477 62.100 0.032 0.000 1.003 3780 T CB 0.109 68.993 68.868 0.025 0.000 1.040 3780 T HN 0.731 nan 8.240 nan 0.000 0.492 3781 S N 0.395 116.106 115.700 0.019 0.000 2.625 3781 S HA 0.729 5.201 4.470 0.002 0.000 0.271 3781 S C -1.806 172.798 174.600 0.006 0.000 1.161 3781 S CA -0.978 57.228 58.200 0.010 0.000 0.820 3781 S CB 1.845 65.050 63.200 0.008 0.000 1.137 3781 S HN 0.166 nan 8.310 nan 0.000 0.470 3782 L N 1.736 122.958 121.223 -0.001 0.000 2.504 3782 L HA 0.479 4.820 4.340 0.002 0.000 0.265 3782 L C -1.130 175.736 176.870 -0.007 0.000 0.975 3782 L CA -0.332 54.504 54.840 -0.006 0.000 0.864 3782 L CB 0.868 42.918 42.059 -0.015 0.000 1.212 3782 L HN 0.949 nan 8.230 nan 0.000 0.416 3783 N N 3.668 122.365 118.700 -0.006 0.000 2.746 3783 N HA -0.186 4.555 4.740 0.002 0.000 0.250 3783 N C 0.877 176.384 175.510 -0.004 0.000 1.055 3783 N CA 1.382 54.429 53.050 -0.006 0.000 0.699 3783 N CB -1.030 37.451 38.487 -0.009 0.000 0.919 3783 N HN 1.128 nan 8.380 nan 0.000 0.548 3784 G N -1.703 107.095 108.800 -0.002 0.000 2.458 3784 G HA2 -0.405 3.556 3.960 0.002 0.000 0.237 3784 G HA3 -0.405 3.556 3.960 0.002 0.000 0.237 3784 G C 0.185 175.085 174.900 0.000 0.000 1.113 3784 G CA 0.889 45.989 45.100 -0.001 0.000 0.655 3784 G HN 0.529 nan 8.290 nan 0.000 0.513 3785 K N 2.260 122.660 120.400 -0.001 0.000 2.298 3785 K HA 0.508 4.830 4.320 0.002 0.000 0.280 3785 K C -2.374 174.227 176.600 0.002 0.000 1.032 3785 K CA -1.552 54.734 56.287 -0.001 0.000 0.958 3785 K CB 0.722 33.219 32.500 -0.003 0.000 0.978 3785 K HN 0.151 nan 8.250 nan 0.000 0.472 3786 P HA -0.003 nan 4.420 nan 0.000 0.265 3786 P C -0.693 176.612 177.300 0.009 0.000 1.193 3786 P CA 0.196 63.301 63.100 0.007 0.000 0.765 3786 P CB 0.437 32.141 31.700 0.008 0.000 0.823 3787 I N 2.752 123.331 120.570 0.015 0.000 2.437 3787 I HA 0.082 4.253 4.170 0.002 0.000 0.279 3787 I C 0.989 177.125 176.117 0.031 0.000 1.028 3787 I CA -0.087 61.224 61.300 0.018 0.000 1.142 3787 I CB 0.876 38.888 38.000 0.020 0.000 1.266 3787 I HN 0.317 nan 8.210 nan 0.000 0.461 3788 S N 2.843 118.561 115.700 0.030 0.000 2.548 3788 S HA 0.180 4.651 4.470 0.002 0.000 0.215 3788 S C 0.569 175.201 174.600 0.054 0.000 0.976 3788 S CA -0.254 57.968 58.200 0.036 0.000 0.908 3788 S CB 0.022 63.237 63.200 0.026 0.000 0.781 3788 S HN 0.654 nan 8.310 nan 0.000 0.519 3789 S N -0.443 115.297 115.700 0.067 0.000 2.543 3789 S HA 0.540 5.011 4.470 0.002 0.000 0.274 3789 S C -0.044 174.640 174.600 0.141 0.000 1.149 3789 S CA -0.832 57.432 58.200 0.106 0.000 0.866 3789 S CB 0.289 63.541 63.200 0.086 0.000 1.111 3789 S HN -0.025 nan 8.310 nan 0.000 0.457 3790 F N 2.624 122.597 119.950 0.037 0.000 2.087 3790 F HA -0.131 4.398 4.527 0.002 0.000 0.299 3790 F C 2.567 178.382 175.800 0.025 0.000 1.100 3790 F CA 2.632 60.651 58.000 0.032 0.000 1.226 3790 F CB -0.990 38.030 39.000 0.034 0.000 0.983 3790 F HN 0.932 nan 8.300 nan 0.000 0.479 3791 A N 0.522 123.412 122.820 0.116 0.000 1.870 3791 A HA -0.295 4.026 4.320 0.002 0.000 0.219 3791 A C 2.509 180.065 177.584 -0.048 0.000 1.224 3791 A CA 3.093 55.145 52.037 0.025 0.000 0.650 3791 A CB -1.815 17.225 19.000 0.067 0.000 0.836 3791 A HN 0.643 nan 8.150 nan 0.000 0.454 3792 A N -0.861 121.950 122.820 -0.015 0.000 1.903 3792 A HA -0.203 4.118 4.320 0.002 0.000 0.219 3792 A C 2.314 179.855 177.584 -0.071 0.000 1.191 3792 A CA 1.943 53.965 52.037 -0.025 0.000 0.638 3792 A CB -0.754 18.245 19.000 -0.003 0.000 0.823 3792 A HN 0.664 nan 8.150 nan 0.000 0.451 3793 L N -1.437 119.716 121.223 -0.117 0.000 2.027 3793 L HA -0.166 4.175 4.340 0.002 0.000 0.206 3793 L C 2.816 179.534 176.870 -0.254 0.000 1.074 3793 L CA 1.858 56.595 54.840 -0.172 0.000 0.745 3793 L CB -0.349 41.596 42.059 -0.190 0.000 0.898 3793 L HN 0.471 nan 8.230 nan 0.000 0.433 3794 R N -0.472 119.779 120.500 -0.415 0.000 2.105 3794 R HA -0.204 4.137 4.340 0.002 0.000 0.239 3794 R C 2.158 178.350 176.300 -0.180 0.000 1.135 3794 R CA 1.567 57.434 56.100 -0.388 0.000 0.967 3794 R CB -0.233 29.791 30.300 -0.459 0.000 0.861 3794 R HN 0.513 nan 8.270 nan 0.000 0.442 3795 A N 0.110 122.856 122.820 -0.124 0.000 1.929 3795 A HA -0.137 4.184 4.320 0.002 0.000 0.216 3795 A C 1.966 179.515 177.584 -0.059 0.000 1.176 3795 A CA 0.979 52.980 52.037 -0.061 0.000 0.628 3795 A CB -0.272 18.713 19.000 -0.026 0.000 0.816 3795 A HN 0.398 nan 8.150 nan 0.000 0.444 3796 Q N -0.148 119.610 119.800 -0.068 0.000 2.119 3796 Q HA -0.111 4.230 4.340 0.002 0.000 0.201 3796 Q C 2.084 178.049 176.000 -0.058 0.000 0.972 3796 Q CA 1.870 57.640 55.803 -0.054 0.000 0.847 3796 Q CB -0.370 28.338 28.738 -0.050 0.000 0.903 3796 Q HN 0.707 nan 8.270 nan 0.000 0.433 3797 V N -2.883 116.984 119.914 -0.077 0.000 3.141 3797 V HA 0.046 4.167 4.120 0.002 0.000 0.265 3797 V C 1.715 177.773 176.094 -0.059 0.000 1.126 3797 V CA 1.582 63.840 62.300 -0.069 0.000 1.141 3797 V CB -0.874 30.897 31.823 -0.086 0.000 0.743 3797 V HN 0.268 nan 8.190 nan 0.000 0.492 3798 G N -0.254 108.510 108.800 -0.059 0.000 2.985 3798 G HA2 0.085 4.046 3.960 0.002 0.000 0.209 3798 G HA3 0.085 4.046 3.960 0.002 0.000 0.209 3798 G C 0.916 175.792 174.900 -0.041 0.000 1.165 3798 G CA 0.717 45.788 45.100 -0.048 0.000 0.776 3798 G HN 0.503 nan 8.290 nan 0.000 0.541 3799 T N 1.133 115.664 114.554 -0.039 0.000 3.269 3799 T HA 0.469 4.820 4.350 0.002 0.000 0.269 3799 T C -0.091 174.590 174.700 -0.032 0.000 0.993 3799 T CA 0.013 62.093 62.100 -0.034 0.000 0.909 3799 T CB -0.171 68.679 68.868 -0.030 0.000 1.115 3799 T HN 0.096 nan 8.240 nan 0.000 0.543 3800 M N 1.917 121.496 119.600 -0.035 0.000 2.182 3800 M HA 0.352 4.833 4.480 0.002 0.000 0.266 3800 M C -2.995 173.282 176.300 -0.038 0.000 0.989 3800 M CA -1.607 53.672 55.300 -0.034 0.000 1.003 3800 M CB 2.819 35.398 32.600 -0.034 0.000 1.812 3800 M HN -0.193 nan 8.290 nan 0.000 0.472 3801 P HA 0.250 nan 4.420 nan 0.000 0.274 3801 P C -0.414 176.853 177.300 -0.055 0.000 1.231 3801 P CA -0.537 62.532 63.100 -0.051 0.000 0.790 3801 P CB 0.542 32.210 31.700 -0.053 0.000 0.951 3802 V N 1.526 121.401 119.914 -0.066 0.000 3.212 3802 V HA -0.039 4.082 4.120 0.002 0.000 0.280 3802 V C 1.925 177.985 176.094 -0.056 0.000 1.369 3802 V CA 1.695 63.957 62.300 -0.063 0.000 1.428 3802 V CB -1.290 30.486 31.823 -0.080 0.000 0.980 3802 V HN 1.058 nan 8.190 nan 0.000 0.527 3803 G N 2.194 110.966 108.800 -0.046 0.000 2.228 3803 G HA2 -0.307 3.654 3.960 0.002 0.000 0.270 3803 G HA3 -0.307 3.654 3.960 0.002 0.000 0.270 3803 G C 0.445 175.326 174.900 -0.033 0.000 0.976 3803 G CA 0.521 45.598 45.100 -0.039 0.000 0.636 3803 G HN 0.946 nan 8.290 nan 0.000 0.542 3804 S N 0.052 115.732 115.700 -0.033 0.000 2.589 3804 S HA 0.470 4.941 4.470 0.002 0.000 0.265 3804 S C 0.461 175.047 174.600 -0.024 0.000 1.342 3804 S CA 0.183 58.367 58.200 -0.028 0.000 1.005 3804 S CB 0.925 64.108 63.200 -0.029 0.000 0.909 3804 S HN 0.453 nan 8.310 nan 0.000 0.555 3805 K N 1.862 122.250 120.400 -0.020 0.000 2.413 3805 K HA 0.487 4.808 4.320 0.002 0.000 0.257 3805 K C -1.044 175.547 176.600 -0.016 0.000 0.946 3805 K CA -0.399 55.878 56.287 -0.017 0.000 0.823 3805 K CB 1.165 33.657 32.500 -0.014 0.000 1.109 3805 K HN 0.525 nan 8.250 nan 0.000 0.427 3806 L N 0.110 121.324 121.223 -0.015 0.000 2.446 3806 L HA 0.475 4.816 4.340 0.002 0.000 0.268 3806 L C -0.519 176.344 176.870 -0.011 0.000 0.975 3806 L CA -0.715 54.116 54.840 -0.014 0.000 0.848 3806 L CB 1.878 43.926 42.059 -0.018 0.000 1.225 3806 L HN 0.365 nan 8.230 nan 0.000 0.410 3807 T N 5.126 119.676 114.554 -0.008 0.000 2.749 3807 T HA 0.664 5.015 4.350 0.002 0.000 0.295 3807 T C -0.380 174.318 174.700 -0.003 0.000 0.936 3807 T CA -0.206 61.891 62.100 -0.005 0.000 1.060 3807 T CB 0.160 69.026 68.868 -0.004 0.000 0.904 3807 T HN 0.491 nan 8.240 nan 0.000 0.500 3808 L N 4.057 125.280 121.223 0.000 0.000 2.341 3808 L HA 0.847 5.188 4.340 0.002 0.000 0.267 3808 L C 0.519 177.395 176.870 0.009 0.000 1.009 3808 L CA -1.242 53.600 54.840 0.004 0.000 0.819 3808 L CB 0.905 42.967 42.059 0.004 0.000 1.323 3808 L HN 0.607 nan 8.230 nan 0.000 0.425 3809 G N 1.684 110.491 108.800 0.012 0.000 2.325 3809 G HA2 0.645 4.606 3.960 0.002 0.000 0.298 3809 G HA3 0.645 4.606 3.960 0.002 0.000 0.298 3809 G C -0.531 174.383 174.900 0.023 0.000 1.134 3809 G CA -0.413 44.697 45.100 0.015 0.000 0.876 3809 G HN 0.514 nan 8.290 nan 0.000 0.452 3810 L N 0.941 122.179 121.223 0.025 0.000 2.376 3810 L HA 0.682 5.023 4.340 0.002 0.000 0.267 3810 L C -0.255 176.635 176.870 0.034 0.000 1.035 3810 L CA -1.050 53.811 54.840 0.035 0.000 0.800 3810 L CB 2.028 44.108 42.059 0.034 0.000 1.290 3810 L HN 0.340 nan 8.230 nan 0.000 0.462 3811 L N 0.606 121.855 121.223 0.043 0.000 2.482 3811 L HA 0.429 4.770 4.340 0.002 0.000 0.269 3811 L C -0.133 176.761 176.870 0.041 0.000 0.967 3811 L CA -0.088 54.774 54.840 0.036 0.000 0.851 3811 L CB 1.549 43.628 42.059 0.034 0.000 1.242 3811 L HN 0.638 nan 8.230 nan 0.000 0.404 3812 R N 1.117 121.635 120.500 0.030 0.000 2.716 3812 R HA 0.233 4.574 4.340 0.002 0.000 0.186 3812 R C -0.149 176.163 176.300 0.019 0.000 0.830 3812 R CA 0.544 56.662 56.100 0.030 0.000 1.059 3812 R CB 0.791 31.108 30.300 0.029 0.000 1.531 3812 R HN 0.727 nan 8.270 nan 0.000 0.633 3813 D N -2.429 117.980 120.400 0.015 0.000 2.153 3813 D HA 0.146 4.787 4.640 0.002 0.000 0.388 3813 D C 0.209 176.514 176.300 0.009 0.000 1.014 3813 D CA 0.764 54.770 54.000 0.010 0.000 0.906 3813 D CB 1.825 42.630 40.800 0.009 0.000 1.552 3813 D HN 0.313 nan 8.370 nan 0.000 0.522 3814 G N 1.809 110.616 108.800 0.012 0.000 2.885 3814 G HA2 -0.031 3.930 3.960 0.002 0.000 0.233 3814 G HA3 -0.031 3.930 3.960 0.002 0.000 0.233 3814 G C -0.633 174.275 174.900 0.012 0.000 2.964 3814 G CA -0.717 44.390 45.100 0.011 0.000 0.824 3814 G HN -0.157 nan 8.290 nan 0.000 0.441 3815 K N 0.524 120.934 120.400 0.015 0.000 2.130 3815 K HA 0.724 5.045 4.320 0.002 0.000 0.268 3815 K C -0.122 176.487 176.600 0.015 0.000 0.983 3815 K CA -0.583 55.713 56.287 0.014 0.000 0.893 3815 K CB 2.440 34.950 32.500 0.017 0.000 1.066 3815 K HN 0.550 nan 8.250 nan 0.000 0.450 3816 Q N 1.099 120.906 119.800 0.012 0.000 2.353 3816 Q HA 0.501 4.842 4.340 0.002 0.000 0.275 3816 Q C -1.626 174.379 176.000 0.008 0.000 1.029 3816 Q CA -0.645 55.164 55.803 0.011 0.000 0.848 3816 Q CB 1.936 30.680 28.738 0.009 0.000 1.390 3816 Q HN 0.371 nan 8.270 nan 0.000 0.401 3817 V N 1.891 121.810 119.914 0.007 0.000 3.167 3817 V HA 0.658 4.779 4.120 0.002 0.000 0.310 3817 V C -1.103 174.992 176.094 0.002 0.000 1.207 3817 V CA -1.043 61.259 62.300 0.004 0.000 1.059 3817 V CB 2.251 34.076 31.823 0.004 0.000 1.079 3817 V HN 0.944 nan 8.190 nan 0.000 0.446 3818 N N 0.902 119.601 118.700 -0.000 0.000 2.225 3818 N HA 0.815 5.556 4.740 0.002 0.000 0.298 3818 N C -1.046 174.461 175.510 -0.004 0.000 1.076 3818 N CA -0.453 52.595 53.050 -0.003 0.000 0.792 3818 N CB 2.378 40.864 38.487 -0.003 0.000 1.498 3818 N HN 1.074 nan 8.380 nan 0.000 0.474 3819 V N -1.587 118.323 119.914 -0.006 0.000 3.282 3819 V HA 0.619 4.740 4.120 0.002 0.000 0.295 3819 V C -1.425 174.662 176.094 -0.011 0.000 1.451 3819 V CA -1.161 61.134 62.300 -0.008 0.000 1.062 3819 V CB 1.753 33.571 31.823 -0.007 0.000 1.128 3819 V HN 0.956 nan 8.190 nan 0.000 0.456 3820 N N 1.867 120.559 118.700 -0.013 0.000 2.372 3820 N HA 0.534 5.275 4.740 0.002 0.000 0.285 3820 N C -0.973 174.526 175.510 -0.019 0.000 1.008 3820 N CA -0.457 52.583 53.050 -0.017 0.000 0.880 3820 N CB 1.850 40.327 38.487 -0.017 0.000 1.239 3820 N HN 0.915 nan 8.380 nan 0.000 0.484 3821 L N 0.835 122.045 121.223 -0.022 0.000 2.399 3821 L HA 0.636 4.977 4.340 0.002 0.000 0.265 3821 L C 0.651 177.504 176.870 -0.028 0.000 1.089 3821 L CA -0.512 54.314 54.840 -0.023 0.000 0.802 3821 L CB 0.184 42.228 42.059 -0.025 0.000 1.180 3821 L HN 0.549 nan 8.230 nan 0.000 0.454 3822 E N 0.959 121.143 120.200 -0.027 0.000 2.316 3822 E HA 0.354 4.705 4.350 0.002 0.000 0.258 3822 E C -0.687 175.893 176.600 -0.033 0.000 0.952 3822 E CA -1.098 55.283 56.400 -0.031 0.000 0.818 3822 E CB 1.409 31.093 29.700 -0.027 0.000 1.260 3822 E HN 0.543 nan 8.360 nan 0.000 0.416 3823 L N 1.843 123.043 121.223 -0.039 0.000 2.593 3823 L HA -0.073 4.268 4.340 0.002 0.000 0.287 3823 L C 0.821 177.675 176.870 -0.027 0.000 1.243 3823 L CA 0.996 55.813 54.840 -0.038 0.000 0.890 3823 L CB 0.104 42.138 42.059 -0.042 0.000 1.134 3823 L HN 0.825 nan 8.230 nan 0.000 0.502 3824 Q N 3.175 122.960 119.800 -0.024 0.000 2.651 3824 Q HA -0.031 4.310 4.340 0.002 0.000 0.224 3824 Q C 0.696 176.689 176.000 -0.011 0.000 1.094 3824 Q CA 0.146 55.940 55.803 -0.015 0.000 1.018 3824 Q CB 0.608 29.338 28.738 -0.014 0.000 1.292 3824 Q HN 0.698 nan 8.270 nan 0.000 0.588 3825 Q N 0.392 120.188 119.800 -0.006 0.000 2.281 3825 Q HA 0.098 4.439 4.340 0.002 0.000 0.215 3825 Q C 1.046 177.046 176.000 -0.001 0.000 0.867 3825 Q CA 0.584 56.384 55.803 -0.004 0.000 0.940 3825 Q CB 0.343 29.079 28.738 -0.004 0.000 1.111 3825 Q HN 0.600 nan 8.270 nan 0.000 0.513 3826 S N 2.129 117.831 115.700 0.002 0.000 2.356 3826 S HA -0.045 4.426 4.470 0.002 0.000 0.223 3826 S C 0.963 175.567 174.600 0.006 0.000 1.032 3826 S CA 1.118 59.322 58.200 0.007 0.000 1.005 3826 S CB -0.097 63.110 63.200 0.011 0.000 0.867 3826 S HN 0.669 nan 8.310 nan 0.000 0.449 3827 S N 1.971 117.673 115.700 0.003 0.000 2.411 3827 S HA 0.572 5.043 4.470 0.002 0.000 0.304 3827 S C -0.533 174.067 174.600 0.001 0.000 1.098 3827 S CA -0.702 57.500 58.200 0.003 0.000 1.068 3827 S CB 0.715 63.916 63.200 0.002 0.000 1.032 3827 S HN 0.348 nan 8.310 nan 0.000 0.511 3828 Q N 2.298 122.099 119.800 0.001 0.000 2.605 3828 Q HA 0.528 4.869 4.340 0.002 0.000 0.296 3828 Q C -0.751 175.247 176.000 -0.003 0.000 1.056 3828 Q CA -1.157 54.645 55.803 -0.002 0.000 0.778 3828 Q CB 1.407 30.142 28.738 -0.005 0.000 1.497 3828 Q HN 0.675 nan 8.270 nan 0.000 0.443 3829 N N -0.117 118.579 118.700 -0.007 0.000 2.525 3829 N HA 0.383 5.124 4.740 0.002 0.000 0.288 3829 N C -0.398 175.096 175.510 -0.027 0.000 1.242 3829 N CA -0.256 52.787 53.050 -0.012 0.000 0.905 3829 N CB 1.827 40.309 38.487 -0.007 0.000 1.258 3829 N HN 0.501 nan 8.380 nan 0.000 0.551 3830 Q N -0.433 119.342 119.800 -0.042 0.000 1.734 3830 Q HA 0.163 4.504 4.340 0.002 0.000 0.147 3830 Q C 0.848 176.773 176.000 -0.126 0.000 0.447 3830 Q CA -0.178 55.579 55.803 -0.078 0.000 0.734 3830 Q CB 0.179 28.869 28.738 -0.080 0.000 0.855 3830 Q HN 0.449 nan 8.270 nan 0.000 0.259 3831 V N -0.582 119.229 119.914 -0.171 0.000 3.271 3831 V HA 0.289 4.410 4.120 0.002 0.000 0.327 3831 V C -0.007 176.025 176.094 -0.103 0.000 1.389 3831 V CA 0.868 63.019 62.300 -0.250 0.000 1.156 3831 V CB -0.050 31.426 31.823 -0.578 0.000 1.103 3831 V HN 0.590 nan 8.190 nan 0.000 0.453 3832 D N -1.198 119.173 120.400 -0.049 0.000 2.433 3832 D HA 0.117 4.758 4.640 0.002 0.000 0.211 3832 D C 1.624 177.928 176.300 0.007 0.000 1.114 3832 D CA 0.757 54.756 54.000 -0.002 0.000 0.837 3832 D CB 0.606 41.413 40.800 0.011 0.000 0.984 3832 D HN 0.276 nan 8.370 nan 0.000 0.505 3833 S N -0.494 115.203 115.700 -0.006 0.000 2.348 3833 S HA 0.049 4.520 4.470 0.002 0.000 0.219 3833 S C 0.792 175.399 174.600 0.013 0.000 1.033 3833 S CA 0.262 58.465 58.200 0.005 0.000 0.974 3833 S CB -0.045 63.154 63.200 -0.002 0.000 0.868 3833 S HN 0.202 nan 8.310 nan 0.000 0.459 3834 S N 2.202 117.908 115.700 0.009 0.000 2.410 3834 S HA 0.205 4.676 4.470 0.002 0.000 0.304 3834 S C 1.155 175.776 174.600 0.036 0.000 1.095 3834 S CA -0.450 57.764 58.200 0.022 0.000 1.089 3834 S CB 1.350 64.562 63.200 0.021 0.000 0.968 3834 S HN 0.540 nan 8.310 nan 0.000 0.480 3835 S N 2.996 118.722 115.700 0.042 0.000 2.462 3835 S HA -0.214 4.257 4.470 0.002 0.000 0.251 3835 S C 1.301 175.947 174.600 0.078 0.000 1.018 3835 S CA 0.945 59.178 58.200 0.055 0.000 0.988 3835 S CB -0.595 62.633 63.200 0.046 0.000 0.766 3835 S HN 0.656 nan 8.310 nan 0.000 0.504 3836 I N 0.175 120.795 120.570 0.082 0.000 3.252 3836 I HA 0.444 4.615 4.170 0.002 0.000 0.151 3836 I C 0.283 176.532 176.117 0.220 0.000 1.031 3836 I CA 0.759 62.131 61.300 0.120 0.000 1.364 3836 I CB -0.012 38.048 38.000 0.099 0.000 1.211 3836 I HN 0.398 nan 8.210 nan 0.000 0.436 3837 F N -0.600 119.360 119.950 0.017 0.000 2.765 3837 F HA 0.256 4.784 4.527 0.002 0.000 0.313 3837 F C -0.643 175.167 175.800 0.017 0.000 1.136 3837 F CA -0.570 57.440 58.000 0.017 0.000 0.952 3837 F CB 0.191 39.200 39.000 0.015 0.000 1.268 3837 F HN 0.482 nan 8.300 nan 0.000 0.441 3838 N N 1.196 119.468 118.700 -0.714 0.000 2.448 3838 N HA 0.339 5.080 4.740 0.002 0.000 0.203 3838 N C -1.884 173.300 175.510 -0.543 0.000 1.794 3838 N CA -0.592 52.246 53.050 -0.353 0.000 1.445 3838 N CB 0.660 39.042 38.487 -0.174 0.000 1.055 3838 N HN 0.546 nan 8.380 nan 0.000 0.859 3839 E N 0.008 120.182 120.200 -0.044 0.000 2.956 3839 E HA 0.269 4.620 4.350 0.002 0.000 0.353 3839 E C -1.194 175.392 176.600 -0.023 0.000 1.131 3839 E CA -0.053 56.327 56.400 -0.033 0.000 0.851 3839 E CB 0.748 30.433 29.700 -0.026 0.000 1.500 3839 E HN 0.212 nan 8.360 nan 0.000 0.384 3840 M N 0.730 120.317 119.600 -0.021 0.000 2.278 3840 M HA 0.530 5.011 4.480 0.002 0.000 0.227 3840 M C 0.485 176.779 176.300 -0.010 0.000 1.138 3840 M CA -0.209 55.083 55.300 -0.014 0.000 1.014 3840 M CB 0.808 33.402 32.600 -0.011 0.000 1.289 3840 M HN 0.300 nan 8.290 nan 0.000 0.567 3841 S N -1.982 113.714 115.700 -0.007 0.000 2.663 3841 S HA 0.474 4.945 4.470 0.002 0.000 0.264 3841 S C -1.557 173.039 174.600 -0.006 0.000 1.112 3841 S CA -1.329 56.867 58.200 -0.005 0.000 0.823 3841 S CB 0.487 63.681 63.200 -0.009 0.000 1.111 3841 S HN 0.567 nan 8.310 nan 0.000 0.476 3842 N N 0.734 119.428 118.700 -0.010 0.000 2.483 3842 N HA 0.527 5.268 4.740 0.002 0.000 0.269 3842 N C -0.796 174.698 175.510 -0.027 0.000 1.209 3842 N CA -0.264 52.775 53.050 -0.018 0.000 0.969 3842 N CB 1.015 39.482 38.487 -0.032 0.000 1.173 3842 N HN 0.628 nan 8.380 nan 0.000 0.475 3843 K N 0.384 120.767 120.400 -0.028 0.000 2.413 3843 K HA 0.469 4.790 4.320 0.002 0.000 0.257 3843 K C 0.488 177.065 176.600 -0.038 0.000 0.946 3843 K CA -0.301 55.968 56.287 -0.029 0.000 0.823 3843 K CB 0.807 33.295 32.500 -0.020 0.000 1.109 3843 K HN 0.686 nan 8.250 nan 0.000 0.427 3844 G N 3.781 112.554 108.800 -0.044 0.000 2.568 3844 G HA2 -0.374 3.588 3.960 0.002 0.000 0.334 3844 G HA3 -0.374 3.588 3.960 0.002 0.000 0.334 3844 G C -0.119 174.741 174.900 -0.067 0.000 1.348 3844 G CA 0.589 45.659 45.100 -0.050 0.000 0.949 3844 G HN 0.737 nan 8.290 nan 0.000 0.532 3845 K N 0.638 121.002 120.400 -0.061 0.000 2.797 3845 K HA 0.105 4.426 4.320 0.002 0.000 0.307 3845 K C 0.529 177.095 176.600 -0.058 0.000 1.072 3845 K CA 0.644 56.888 56.287 -0.071 0.000 0.981 3845 K CB -0.725 31.746 32.500 -0.048 0.000 1.078 3845 K HN 0.443 nan 8.250 nan 0.000 0.459 3846 D N 1.224 121.602 120.400 -0.037 0.000 2.941 3846 D HA 0.013 4.654 4.640 0.002 0.000 0.236 3846 D C -0.299 175.999 176.300 -0.004 0.000 1.147 3846 D CA 0.421 54.415 54.000 -0.010 0.000 0.975 3846 D CB -0.485 40.323 40.800 0.015 0.000 1.162 3846 D HN 0.231 nan 8.370 nan 0.000 0.444 3847 Q N 0.732 120.524 119.800 -0.012 0.000 2.819 3847 Q HA 0.384 4.725 4.340 0.002 0.000 0.392 3847 Q C 0.814 176.812 176.000 -0.003 0.000 1.088 3847 Q CA -0.620 55.179 55.803 -0.007 0.000 1.062 3847 Q CB 0.868 29.599 28.738 -0.012 0.000 1.369 3847 Q HN 0.426 nan 8.270 nan 0.000 0.434 3848 G N -0.234 108.569 108.800 0.005 0.000 2.750 3848 G HA2 -0.247 3.714 3.960 0.002 0.000 0.228 3848 G HA3 -0.247 3.714 3.960 0.002 0.000 0.228 3848 G C -0.637 174.266 174.900 0.005 0.000 1.367 3848 G CA -0.740 44.365 45.100 0.009 0.000 0.871 3848 G HN 0.261 nan 8.290 nan 0.000 0.560 3849 V N 0.169 120.087 119.914 0.007 0.000 2.349 3849 V HA 0.499 4.620 4.120 0.002 0.000 0.284 3849 V C 0.638 176.731 176.094 -0.002 0.000 1.014 3849 V CA -0.655 61.647 62.300 0.004 0.000 0.826 3849 V CB 1.347 33.176 31.823 0.011 0.000 1.009 3849 V HN 0.844 nan 8.190 nan 0.000 0.431 3850 V N 5.901 125.810 119.914 -0.007 0.000 2.488 3850 V HA 0.249 4.370 4.120 0.002 0.000 0.277 3850 V C 0.318 176.406 176.094 -0.011 0.000 1.046 3850 V CA -0.007 62.287 62.300 -0.010 0.000 0.986 3850 V CB 1.811 33.626 31.823 -0.013 0.000 0.989 3850 V HN 0.653 nan 8.190 nan 0.000 0.475 3851 V N 7.685 127.592 119.914 -0.012 0.000 2.607 3851 V HA 0.447 4.568 4.120 0.002 0.000 0.289 3851 V C 0.373 176.459 176.094 -0.013 0.000 1.053 3851 V CA -0.273 62.019 62.300 -0.013 0.000 0.996 3851 V CB 1.403 33.218 31.823 -0.013 0.000 0.995 3851 V HN 0.973 nan 8.190 nan 0.000 0.476 3852 N N 3.773 122.465 118.700 -0.014 0.000 2.752 3852 N HA 0.292 5.033 4.740 0.002 0.000 0.316 3852 N C -0.335 175.168 175.510 -0.012 0.000 1.343 3852 N CA -0.732 52.310 53.050 -0.013 0.000 0.875 3852 N CB -0.001 38.478 38.487 -0.012 0.000 1.120 3852 N HN 0.687 nan 8.380 nan 0.000 0.562 3853 N N 1.742 120.435 118.700 -0.011 0.000 2.291 3853 N HA -0.046 4.695 4.740 0.002 0.000 0.281 3853 N C 0.043 175.547 175.510 -0.010 0.000 1.388 3853 N CA 0.224 53.268 53.050 -0.009 0.000 0.920 3853 N CB -0.228 38.254 38.487 -0.008 0.000 1.276 3853 N HN 0.272 nan 8.380 nan 0.000 0.493 3854 V N 0.537 120.445 119.914 -0.009 0.000 3.185 3854 V HA 0.306 4.427 4.120 0.002 0.000 0.305 3854 V C 0.973 177.064 176.094 -0.005 0.000 1.090 3854 V CA -0.343 61.952 62.300 -0.009 0.000 1.107 3854 V CB 1.028 32.847 31.823 -0.007 0.000 1.061 3854 V HN 0.297 nan 8.190 nan 0.000 0.480 3855 K N 1.147 121.546 120.400 -0.003 0.000 2.642 3855 K HA 0.510 4.831 4.320 0.002 0.000 0.273 3855 K C 1.268 177.873 176.600 0.009 0.000 1.029 3855 K CA -0.006 56.283 56.287 0.004 0.000 1.071 3855 K CB 0.595 33.099 32.500 0.006 0.000 1.451 3855 K HN 0.830 nan 8.250 nan 0.000 0.559 3856 T N -0.228 114.335 114.554 0.015 0.000 3.010 3856 T HA 0.012 4.363 4.350 0.002 0.000 0.252 3856 T C 1.652 176.367 174.700 0.024 0.000 1.047 3856 T CA 1.013 63.124 62.100 0.018 0.000 1.140 3856 T CB -0.204 68.676 68.868 0.020 0.000 0.885 3856 T HN 0.700 nan 8.240 nan 0.000 0.464 3857 G N 1.946 110.766 108.800 0.032 0.000 2.448 3857 G HA2 -0.149 3.812 3.960 0.002 0.000 0.219 3857 G HA3 -0.149 3.812 3.960 0.002 0.000 0.219 3857 G C 1.059 175.981 174.900 0.037 0.000 1.127 3857 G CA 1.635 46.760 45.100 0.042 0.000 0.766 3857 G HN 0.700 nan 8.290 nan 0.000 0.552 3858 T N -2.688 111.883 114.554 0.028 0.000 3.996 3858 T HA -0.193 4.158 4.350 0.002 0.000 0.348 3858 T C -0.742 173.974 174.700 0.027 0.000 0.757 3858 T CA 1.118 63.230 62.100 0.021 0.000 1.898 3858 T CB -2.251 66.627 68.868 0.017 0.000 1.861 3858 T HN 0.423 nan 8.240 nan 0.000 0.821 3859 P HA 0.152 nan 4.420 nan 0.000 0.218 3859 P C 1.751 179.071 177.300 0.032 0.000 1.149 3859 P CA 1.443 64.574 63.100 0.051 0.000 0.817 3859 P CB -0.254 31.499 31.700 0.089 0.000 0.785 3860 A N -0.655 122.172 122.820 0.013 0.000 2.044 3860 A HA 0.279 4.601 4.320 0.002 0.000 0.213 3860 A C 2.166 179.752 177.584 0.003 0.000 1.169 3860 A CA 1.074 53.113 52.037 0.003 0.000 0.724 3860 A CB -1.167 17.823 19.000 -0.016 0.000 0.840 3860 A HN 0.139 nan 8.150 nan 0.000 0.463 3861 A N -0.468 122.354 122.820 0.004 0.000 1.929 3861 A HA -0.138 4.183 4.320 0.002 0.000 0.216 3861 A C 1.988 179.576 177.584 0.006 0.000 1.176 3861 A CA 1.413 53.451 52.037 0.002 0.000 0.628 3861 A CB -0.509 18.492 19.000 0.002 0.000 0.816 3861 A HN 0.558 nan 8.150 nan 0.000 0.444 3862 Q N -1.461 118.346 119.800 0.012 0.000 2.368 3862 Q HA -0.104 4.237 4.340 0.002 0.000 0.210 3862 Q C 0.866 176.875 176.000 0.015 0.000 0.982 3862 Q CA 0.826 56.638 55.803 0.015 0.000 0.884 3862 Q CB -0.140 28.611 28.738 0.022 0.000 0.933 3862 Q HN 0.604 nan 8.270 nan 0.000 0.460 3863 I N -0.540 120.038 120.570 0.014 0.000 3.858 3863 I HA 0.156 4.327 4.170 0.002 0.000 0.325 3863 I C 0.631 176.753 176.117 0.008 0.000 1.403 3863 I CA 0.479 61.788 61.300 0.015 0.000 1.169 3863 I CB 0.039 38.050 38.000 0.019 0.000 1.077 3863 I HN 0.206 nan 8.210 nan 0.000 0.403 3864 G N 0.970 109.771 108.800 0.003 0.000 2.160 3864 G HA2 -0.221 3.740 3.960 0.002 0.000 0.244 3864 G HA3 -0.221 3.740 3.960 0.002 0.000 0.244 3864 G C -0.252 174.641 174.900 -0.013 0.000 1.022 3864 G CA -0.007 45.090 45.100 -0.006 0.000 0.741 3864 G HN 0.208 nan 8.290 nan 0.000 0.508 3865 L N 0.515 121.732 121.223 -0.009 0.000 2.294 3865 L HA 0.566 4.907 4.340 0.002 0.000 0.283 3865 L C 0.806 177.668 176.870 -0.012 0.000 1.015 3865 L CA -0.503 54.329 54.840 -0.013 0.000 0.831 3865 L CB 1.393 43.446 42.059 -0.010 0.000 1.217 3865 L HN 0.291 nan 8.230 nan 0.000 0.420 3866 K N 2.039 122.429 120.400 -0.016 0.000 3.015 3866 K HA 0.237 4.558 4.320 0.002 0.000 0.340 3866 K C 0.883 177.475 176.600 -0.013 0.000 1.002 3866 K CA -0.011 56.268 56.287 -0.014 0.000 1.190 3866 K CB 0.533 33.023 32.500 -0.017 0.000 1.241 3866 K HN 0.454 nan 8.250 nan 0.000 0.507 3867 K N -1.004 119.389 120.400 -0.013 0.000 2.262 3867 K HA 0.096 4.417 4.320 0.002 0.000 0.200 3867 K C 0.503 177.095 176.600 -0.014 0.000 1.049 3867 K CA 0.746 57.026 56.287 -0.012 0.000 0.979 3867 K CB 0.596 33.090 32.500 -0.011 0.000 0.773 3867 K HN 0.552 nan 8.250 nan 0.000 0.474 3868 G N 2.092 110.883 108.800 -0.015 0.000 4.713 3868 G HA2 0.165 4.126 3.960 0.002 0.000 0.318 3868 G HA3 0.165 4.126 3.960 0.002 0.000 0.318 3868 G C -1.615 173.273 174.900 -0.018 0.000 1.435 3868 G CA -0.463 44.628 45.100 -0.016 0.000 0.965 3868 G HN -0.030 nan 8.290 nan 0.000 0.542 3869 D N 1.007 121.396 120.400 -0.019 0.000 2.414 3869 D HA 0.429 5.070 4.640 0.002 0.000 0.232 3869 D C 0.560 176.849 176.300 -0.018 0.000 1.070 3869 D CA -0.268 53.719 54.000 -0.022 0.000 0.839 3869 D CB 2.389 43.175 40.800 -0.024 0.000 1.079 3869 D HN 0.095 nan 8.370 nan 0.000 0.521 3870 V N 2.256 122.159 119.914 -0.018 0.000 3.214 3870 V HA 0.406 4.527 4.120 0.002 0.000 0.306 3870 V C 0.644 176.734 176.094 -0.007 0.000 1.078 3870 V CA -0.581 61.713 62.300 -0.011 0.000 1.077 3870 V CB 0.994 32.811 31.823 -0.010 0.000 1.121 3870 V HN 0.486 nan 8.190 nan 0.000 0.468 3871 I N 2.625 123.197 120.570 0.003 0.000 2.719 3871 I HA 0.247 4.418 4.170 0.002 0.000 0.275 3871 I C 0.165 176.296 176.117 0.022 0.000 1.228 3871 I CA -0.180 61.128 61.300 0.013 0.000 1.035 3871 I CB 1.285 39.294 38.000 0.015 0.000 1.286 3871 I HN 0.462 nan 8.210 nan 0.000 0.531 3872 I N 1.901 122.487 120.570 0.026 0.000 3.419 3872 I HA 0.134 4.305 4.170 0.002 0.000 0.286 3872 I C 1.450 177.592 176.117 0.042 0.000 1.268 3872 I CA 0.627 61.945 61.300 0.030 0.000 1.414 3872 I CB -0.700 37.317 38.000 0.028 0.000 1.074 3872 I HN 0.428 nan 8.210 nan 0.000 0.457 3873 G N 1.529 110.362 108.800 0.056 0.000 2.350 3873 G HA2 0.465 4.426 3.960 0.002 0.000 0.306 3873 G HA3 0.465 4.426 3.960 0.002 0.000 0.306 3873 G C 0.458 175.391 174.900 0.056 0.000 1.094 3873 G CA -0.251 44.891 45.100 0.068 0.000 0.953 3873 G HN 0.281 nan 8.290 nan 0.000 0.420 3874 A N 3.481 126.326 122.820 0.042 0.000 3.004 3874 A HA 0.264 4.586 4.320 0.002 0.000 0.252 3874 A C 1.410 179.014 177.584 0.033 0.000 1.802 3874 A CA 0.275 52.333 52.037 0.034 0.000 1.424 3874 A CB -1.033 17.983 19.000 0.027 0.000 1.005 3874 A HN 1.396 nan 8.150 nan 0.000 0.631 3875 N N -0.230 118.496 118.700 0.043 0.000 2.815 3875 N HA -0.339 4.402 4.740 0.002 0.000 0.247 3875 N C 0.888 176.412 175.510 0.023 0.000 1.030 3875 N CA 2.775 55.849 53.050 0.040 0.000 0.881 3875 N CB -0.685 37.820 38.487 0.030 0.000 1.134 3875 N HN 0.915 nan 8.380 nan 0.000 0.582 3876 Q N -5.438 114.375 119.800 0.021 0.000 7.202 3876 Q HA -0.054 4.287 4.340 0.002 0.000 0.338 3876 Q C -0.012 175.993 176.000 0.009 0.000 0.933 3876 Q CA -0.159 55.644 55.803 0.001 0.000 0.563 3876 Q CB -0.382 28.351 28.738 -0.008 0.000 0.472 3876 Q HN 0.403 nan 8.270 nan 0.000 0.823 3877 Q N 0.960 120.771 119.800 0.017 0.000 2.665 3877 Q HA 0.785 5.126 4.340 0.002 0.000 0.176 3877 Q C -0.579 175.436 176.000 0.026 0.000 1.025 3877 Q CA 0.025 55.839 55.803 0.018 0.000 0.953 3877 Q CB 1.403 30.150 28.738 0.015 0.000 2.143 3877 Q HN 0.359 nan 8.270 nan 0.000 0.464 3878 A N 0.609 123.443 122.820 0.024 0.000 2.320 3878 A HA 0.414 4.736 4.320 0.002 0.000 0.287 3878 A C -0.635 176.966 177.584 0.029 0.000 1.181 3878 A CA -0.267 51.786 52.037 0.026 0.000 0.831 3878 A CB 0.336 19.350 19.000 0.023 0.000 1.102 3878 A HN 0.317 nan 8.150 nan 0.000 0.513 3879 V N 5.358 125.291 119.914 0.031 0.000 2.320 3879 V HA 0.091 4.212 4.120 0.002 0.000 0.257 3879 V C 1.217 177.329 176.094 0.031 0.000 0.996 3879 V CA -0.353 61.966 62.300 0.032 0.000 0.928 3879 V CB 0.451 32.293 31.823 0.031 0.000 1.169 3879 V HN 1.110 nan 8.190 nan 0.000 0.475 3880 K N 1.452 121.873 120.400 0.035 0.000 2.365 3880 K HA -0.001 4.320 4.320 0.002 0.000 0.199 3880 K C 0.378 177.002 176.600 0.040 0.000 1.045 3880 K CA 0.921 57.228 56.287 0.033 0.000 0.962 3880 K CB 0.101 32.624 32.500 0.038 0.000 0.759 3880 K HN 0.696 nan 8.250 nan 0.000 0.469 3881 N N -1.069 117.662 118.700 0.052 0.000 2.961 3881 N HA 0.153 4.894 4.740 0.002 0.000 0.245 3881 N C 0.215 175.760 175.510 0.058 0.000 1.404 3881 N CA -0.830 52.259 53.050 0.064 0.000 0.880 3881 N CB 0.171 38.732 38.487 0.123 0.000 1.461 3881 N HN -0.124 nan 8.380 nan 0.000 0.510 3882 I N -0.231 120.373 120.570 0.056 0.000 2.423 3882 I HA -0.205 3.966 4.170 0.002 0.000 0.254 3882 I C 2.202 178.345 176.117 0.043 0.000 1.151 3882 I CA 1.646 62.972 61.300 0.043 0.000 1.421 3882 I CB -0.572 37.450 38.000 0.037 0.000 1.079 3882 I HN 0.754 nan 8.210 nan 0.000 0.431 3883 A N 0.727 123.580 122.820 0.054 0.000 1.855 3883 A HA -0.200 4.121 4.320 0.002 0.000 0.215 3883 A C 2.281 179.882 177.584 0.029 0.000 1.191 3883 A CA 1.548 53.604 52.037 0.031 0.000 0.613 3883 A CB -0.506 18.499 19.000 0.009 0.000 0.829 3883 A HN 0.397 nan 8.150 nan 0.000 0.442 3884 E N -0.387 119.835 120.200 0.036 0.000 2.017 3884 E HA -0.166 4.185 4.350 0.002 0.000 0.193 3884 E C 2.081 178.699 176.600 0.029 0.000 0.997 3884 E CA 1.032 57.451 56.400 0.031 0.000 0.804 3884 E CB -0.312 29.410 29.700 0.036 0.000 0.757 3884 E HN 0.489 nan 8.360 nan 0.000 0.448 3885 L N 1.602 122.844 121.223 0.032 0.000 1.978 3885 L HA -0.274 4.067 4.340 0.002 0.000 0.218 3885 L C 2.399 179.284 176.870 0.027 0.000 1.075 3885 L CA 2.020 56.877 54.840 0.028 0.000 0.767 3885 L CB -0.641 41.434 42.059 0.027 0.000 0.890 3885 L HN 0.099 nan 8.230 nan 0.000 0.434 3886 R N 0.034 120.550 120.500 0.027 0.000 2.193 3886 R HA -0.226 4.115 4.340 0.002 0.000 0.229 3886 R C 2.272 178.589 176.300 0.028 0.000 1.110 3886 R CA 1.580 57.696 56.100 0.027 0.000 0.988 3886 R CB -0.078 30.239 30.300 0.028 0.000 0.871 3886 R HN 0.363 nan 8.270 nan 0.000 0.458 3887 K N -0.573 119.843 120.400 0.027 0.000 2.288 3887 K HA -0.030 4.291 4.320 0.002 0.000 0.201 3887 K C 1.325 177.938 176.600 0.021 0.000 1.048 3887 K CA 0.964 57.265 56.287 0.024 0.000 0.956 3887 K CB 0.393 32.905 32.500 0.021 0.000 0.746 3887 K HN 0.050 nan 8.250 nan 0.000 0.461 3888 V N 0.489 120.416 119.914 0.022 0.000 2.795 3888 V HA -0.002 4.119 4.120 0.002 0.000 0.243 3888 V C 1.563 177.670 176.094 0.021 0.000 1.069 3888 V CA 0.628 62.940 62.300 0.020 0.000 1.089 3888 V CB -0.133 31.703 31.823 0.021 0.000 0.756 3888 V HN 0.215 nan 8.190 nan 0.000 0.471 3889 L N 0.950 122.187 121.223 0.024 0.000 2.737 3889 L HA 0.044 4.385 4.340 0.002 0.000 0.246 3889 L C 1.471 178.356 176.870 0.026 0.000 1.153 3889 L CA 1.087 55.942 54.840 0.026 0.000 0.920 3889 L CB -0.498 41.577 42.059 0.027 0.000 1.090 3889 L HN 0.443 nan 8.230 nan 0.000 0.430 3890 D N -1.431 118.983 120.400 0.024 0.000 2.415 3890 D HA -0.074 4.567 4.640 0.002 0.000 0.269 3890 D C 2.010 178.321 176.300 0.018 0.000 1.099 3890 D CA 0.862 54.876 54.000 0.023 0.000 0.865 3890 D CB 0.418 41.233 40.800 0.025 0.000 1.359 3890 D HN 0.093 nan 8.370 nan 0.000 0.506 3891 S N 0.024 115.734 115.700 0.016 0.000 2.387 3891 S HA -0.036 4.435 4.470 0.002 0.000 0.221 3891 S C 0.996 175.603 174.600 0.012 0.000 1.041 3891 S CA 0.198 58.405 58.200 0.012 0.000 0.959 3891 S CB -0.471 62.736 63.200 0.011 0.000 0.843 3891 S HN 0.276 nan 8.310 nan 0.000 0.488 3892 K N 1.542 121.950 120.400 0.014 0.000 2.602 3892 K HA 0.509 4.830 4.320 0.002 0.000 0.201 3892 K C -2.844 173.765 176.600 0.016 0.000 1.070 3892 K CA -1.660 54.635 56.287 0.013 0.000 1.026 3892 K CB 1.110 33.617 32.500 0.011 0.000 1.534 3892 K HN 0.071 nan 8.250 nan 0.000 0.560 3893 P HA -0.088 nan 4.420 nan 0.000 0.252 3893 P C 0.447 177.758 177.300 0.018 0.000 1.265 3893 P CA 0.370 63.482 63.100 0.020 0.000 0.775 3893 P CB 0.348 32.060 31.700 0.021 0.000 1.128 3894 S N -1.734 113.975 115.700 0.015 0.000 2.288 3894 S HA 0.034 4.505 4.470 0.002 0.000 0.191 3894 S C 0.771 175.379 174.600 0.015 0.000 1.028 3894 S CA 0.373 58.581 58.200 0.013 0.000 1.030 3894 S CB -0.867 62.339 63.200 0.010 0.000 0.932 3894 S HN -0.110 nan 8.310 nan 0.000 0.463 3895 V N 2.671 122.593 119.914 0.013 0.000 2.427 3895 V HA 0.667 4.788 4.120 0.002 0.000 0.286 3895 V C -0.769 175.335 176.094 0.017 0.000 1.034 3895 V CA -0.613 61.695 62.300 0.014 0.000 0.893 3895 V CB 1.013 32.841 31.823 0.008 0.000 0.982 3895 V HN 0.568 nan 8.190 nan 0.000 0.452 3896 L N 5.142 126.379 121.223 0.023 0.000 2.404 3896 L HA 0.880 5.221 4.340 0.002 0.000 0.272 3896 L C -0.186 176.707 176.870 0.037 0.000 0.980 3896 L CA -0.340 54.518 54.840 0.029 0.000 0.836 3896 L CB 1.505 43.583 42.059 0.031 0.000 1.238 3896 L HN 0.706 nan 8.230 nan 0.000 0.408 3897 A N 5.990 128.836 122.820 0.044 0.000 2.409 3897 A HA 0.618 4.939 4.320 0.002 0.000 0.300 3897 A C -1.256 176.385 177.584 0.095 0.000 1.273 3897 A CA -0.518 51.562 52.037 0.070 0.000 0.774 3897 A CB 0.524 19.558 19.000 0.057 0.000 1.144 3897 A HN 0.516 nan 8.150 nan 0.000 0.472 3898 L N 2.810 124.089 121.223 0.094 0.000 2.433 3898 L HA 0.116 4.457 4.340 0.002 0.000 0.284 3898 L C -0.113 176.835 176.870 0.130 0.000 1.120 3898 L CA 0.080 54.972 54.840 0.087 0.000 0.879 3898 L CB -0.817 41.272 42.059 0.050 0.000 1.232 3898 L HN 0.609 nan 8.230 nan 0.000 0.454 3899 N N 4.401 123.206 118.700 0.175 0.000 2.950 3899 N HA 0.083 4.824 4.740 0.002 0.000 0.313 3899 N C 0.324 175.880 175.510 0.077 0.000 1.213 3899 N CA 0.087 53.292 53.050 0.258 0.000 1.184 3899 N CB -0.413 38.229 38.487 0.258 0.000 1.454 3899 N HN 0.618 nan 8.380 nan 0.000 0.532 3900 I N -1.623 118.940 120.570 -0.012 0.000 2.499 3900 I HA 0.377 4.548 4.170 0.002 0.000 0.296 3900 I C -0.453 175.602 176.117 -0.103 0.000 0.992 3900 I CA -0.800 60.474 61.300 -0.043 0.000 1.297 3900 I CB 1.335 39.313 38.000 -0.037 0.000 1.410 3900 I HN 0.116 nan 8.210 nan 0.000 0.507 3901 Q N 6.486 126.246 119.800 -0.067 0.000 2.589 3901 Q HA 0.266 4.607 4.340 0.002 0.000 0.245 3901 Q C -1.066 174.906 176.000 -0.047 0.000 0.931 3901 Q CA -0.672 55.086 55.803 -0.075 0.000 0.730 3901 Q CB 0.898 29.601 28.738 -0.058 0.000 1.315 3901 Q HN 0.980 nan 8.270 nan 0.000 0.469 3902 R N 0.904 121.374 120.500 -0.049 0.000 4.902 3902 R HA 0.430 4.771 4.340 0.002 0.000 0.201 3902 R C 0.627 176.909 176.300 -0.030 0.000 2.020 3902 R CA 0.565 56.644 56.100 -0.035 0.000 1.674 3902 R CB -0.637 29.642 30.300 -0.034 0.000 1.349 3902 R HN 0.881 nan 8.270 nan 0.000 0.813 3903 G N 0.783 109.567 108.800 -0.027 0.000 3.922 3903 G HA2 -0.301 3.660 3.960 0.002 0.000 0.208 3903 G HA3 -0.301 3.660 3.960 0.002 0.000 0.208 3903 G C 0.343 175.229 174.900 -0.023 0.000 1.491 3903 G CA 0.322 45.408 45.100 -0.022 0.000 1.017 3903 G HN 0.474 nan 8.290 nan 0.000 0.603 3904 D N 0.697 121.080 120.400 -0.029 0.000 3.161 3904 D HA 0.193 4.834 4.640 0.002 0.000 0.287 3904 D C 1.686 177.960 176.300 -0.043 0.000 1.343 3904 D CA 1.006 54.989 54.000 -0.029 0.000 1.070 3904 D CB -0.550 40.236 40.800 -0.023 0.000 1.188 3904 D HN 0.797 nan 8.370 nan 0.000 0.409 3905 S N 1.071 116.741 115.700 -0.051 0.000 2.673 3905 S HA 0.071 4.542 4.470 0.002 0.000 0.308 3905 S C 0.092 174.623 174.600 -0.115 0.000 1.246 3905 S CA 0.065 58.220 58.200 -0.075 0.000 1.077 3905 S CB 0.178 63.337 63.200 -0.069 0.000 0.814 3905 S HN 0.051 nan 8.310 nan 0.000 0.503 3906 T N 5.461 119.917 114.554 -0.163 0.000 3.331 3906 T HA 0.403 4.754 4.350 0.002 0.000 0.381 3906 T C 0.464 174.827 174.700 -0.562 0.000 1.656 3906 T CA -0.634 61.301 62.100 -0.276 0.000 1.453 3906 T CB -0.689 68.075 68.868 -0.172 0.000 1.066 3906 T HN 0.734 nan 8.240 nan 0.000 0.655 3907 I N -1.267 118.998 120.570 -0.508 0.000 3.078 3907 I HA 0.670 4.841 4.170 0.002 0.000 0.318 3907 I C -1.041 174.608 176.117 -0.779 0.000 1.016 3907 I CA -1.378 59.591 61.300 -0.551 0.000 1.130 3907 I CB 1.008 38.878 38.000 -0.217 0.000 1.397 3907 I HN 0.220 nan 8.210 nan 0.000 0.570 3908 Y N 2.944 123.247 120.300 0.005 0.000 2.609 3908 Y HA 0.474 5.025 4.550 0.002 0.000 0.350 3908 Y C -0.518 175.386 175.900 0.006 0.000 1.050 3908 Y CA -0.832 57.272 58.100 0.005 0.000 1.290 3908 Y CB 0.647 39.110 38.460 0.005 0.000 1.094 3908 Y HN 0.253 nan 8.280 nan 0.000 0.583 3909 L N 2.784 124.062 121.223 0.092 0.000 2.454 3909 L HA 0.472 4.813 4.340 0.002 0.000 0.256 3909 L C 0.484 177.396 176.870 0.070 0.000 1.136 3909 L CA -0.720 54.159 54.840 0.064 0.000 0.804 3909 L CB 0.793 42.870 42.059 0.029 0.000 1.181 3909 L HN 0.517 nan 8.230 nan 0.000 0.469 3910 L N 0.000 121.254 121.223 0.052 0.000 2.949 3910 L HA 0.000 4.341 4.340 0.002 0.000 0.249 3910 L CA 0.000 54.867 54.840 0.045 0.000 0.813 3910 L CB 0.000 42.082 42.059 0.038 0.000 0.961 3910 L HN 0.000 nan 8.230 nan 0.000 0.502