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_L DATA FIRST_RESID 4307 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 4307 Q HA 0.000 nan 4.340 nan 0.000 0.214 4307 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 4307 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 4307 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 4308 M N 0.947 120.543 119.600 -0.008 0.000 2.472 4308 M HA 0.826 5.303 4.480 -0.005 0.000 0.331 4308 M C -2.105 174.186 176.300 -0.015 0.000 1.170 4308 M CA -1.840 53.454 55.300 -0.011 0.000 1.009 4308 M CB 0.284 32.878 32.600 -0.010 0.000 1.672 4308 M HN 0.174 nan 8.290 nan 0.000 0.453 4309 P HA 0.307 nan 4.420 nan 0.000 0.269 4309 P C -0.960 176.322 177.300 -0.029 0.000 1.215 4309 P CA -0.223 62.861 63.100 -0.028 0.000 0.780 4309 P CB 0.759 32.436 31.700 -0.038 0.000 0.898 4310 S N 0.126 115.807 115.700 -0.031 0.000 2.543 4310 S HA 0.279 4.746 4.470 -0.005 0.000 0.274 4310 S C 0.116 174.698 174.600 -0.030 0.000 1.149 4310 S CA -0.680 57.503 58.200 -0.029 0.000 0.866 4310 S CB 0.455 63.644 63.200 -0.017 0.000 1.111 4310 S HN 0.301 nan 8.310 nan 0.000 0.457 4311 L N 3.018 124.223 121.223 -0.030 0.000 2.558 4311 L HA 0.241 4.578 4.340 -0.005 0.000 0.225 4311 L C 2.529 179.392 176.870 -0.011 0.000 1.128 4311 L CA 0.772 55.597 54.840 -0.025 0.000 0.868 4311 L CB -0.525 41.518 42.059 -0.027 0.000 1.006 4311 L HN 0.824 nan 8.230 nan 0.000 0.454 4312 A N 1.236 124.051 122.820 -0.009 0.000 1.940 4312 A HA -0.119 4.198 4.320 -0.005 0.000 0.219 4312 A C -0.121 177.462 177.584 -0.001 0.000 1.176 4312 A CA 1.527 53.562 52.037 -0.003 0.000 0.631 4312 A CB -1.464 17.535 19.000 -0.002 0.000 0.814 4312 A HN 0.258 nan 8.150 nan 0.000 0.446 4313 P HA -0.147 nan 4.420 nan 0.000 0.217 4313 P C 1.687 178.987 177.300 0.000 0.000 1.150 4313 P CA 1.766 64.865 63.100 -0.001 0.000 0.832 4313 P CB -0.142 31.555 31.700 -0.003 0.000 0.787 4314 M N -2.931 116.669 119.600 -0.000 0.000 2.394 4314 M HA 0.079 4.556 4.480 -0.005 0.000 0.266 4314 M C 1.691 177.994 176.300 0.005 0.000 1.098 4314 M CA 1.778 57.080 55.300 0.003 0.000 1.149 4314 M CB -1.671 30.931 32.600 0.003 0.000 1.369 4314 M HN -0.233 nan 8.290 nan 0.000 0.450 4315 L N 0.496 121.722 121.223 0.005 0.000 2.127 4315 L HA -0.160 4.178 4.340 -0.005 0.000 0.211 4315 L C 2.282 179.158 176.870 0.009 0.000 1.089 4315 L CA 1.566 56.410 54.840 0.008 0.000 0.757 4315 L CB -0.876 41.188 42.059 0.008 0.000 0.899 4315 L HN 0.481 nan 8.230 nan 0.000 0.434 4316 E N 0.049 120.253 120.200 0.007 0.000 2.204 4316 E HA -0.185 4.162 4.350 -0.005 0.000 0.194 4316 E C 1.840 178.446 176.600 0.008 0.000 0.989 4316 E CA 0.800 57.205 56.400 0.008 0.000 0.824 4316 E CB 0.112 29.817 29.700 0.007 0.000 0.756 4316 E HN 0.457 nan 8.360 nan 0.000 0.477 4317 K N -0.020 120.385 120.400 0.007 0.000 2.426 4317 K HA 0.050 4.367 4.320 -0.005 0.000 0.193 4317 K C 1.599 178.204 176.600 0.008 0.000 1.028 4317 K CA 0.192 56.483 56.287 0.007 0.000 1.047 4317 K CB 0.760 33.264 32.500 0.006 0.000 0.821 4317 K HN -0.026 nan 8.250 nan 0.000 0.513 4318 V N 0.739 120.658 119.914 0.009 0.000 2.690 4318 V HA -0.102 4.016 4.120 -0.005 0.000 0.240 4318 V C 2.038 178.139 176.094 0.012 0.000 1.078 4318 V CA 0.698 63.004 62.300 0.011 0.000 1.102 4318 V CB -0.099 31.731 31.823 0.012 0.000 0.800 4318 V HN 0.218 nan 8.190 nan 0.000 0.479 4319 M N 0.162 119.770 119.600 0.013 0.000 2.146 4319 M HA -0.173 4.305 4.480 -0.005 0.000 0.256 4319 M C -0.122 176.187 176.300 0.016 0.000 1.075 4319 M CA 2.172 57.481 55.300 0.016 0.000 1.082 4319 M CB -2.510 30.101 32.600 0.018 0.000 1.355 4319 M HN 0.265 nan 8.290 nan 0.000 0.402 4320 P HA -0.048 nan 4.420 nan 0.000 0.223 4320 P C 1.161 178.465 177.300 0.007 0.000 1.144 4320 P CA 1.086 64.194 63.100 0.014 0.000 0.783 4320 P CB -0.058 31.649 31.700 0.012 0.000 0.771 4321 S N -1.559 114.144 115.700 0.006 0.000 2.524 4321 S HA 0.066 4.533 4.470 -0.005 0.000 0.216 4321 S C 0.816 175.419 174.600 0.004 0.000 0.987 4321 S CA 0.083 58.284 58.200 0.001 0.000 0.909 4321 S CB -0.089 63.112 63.200 0.002 0.000 0.781 4321 S HN -0.063 nan 8.310 nan 0.000 0.521 4322 V N 3.386 123.306 119.914 0.011 0.000 2.465 4322 V HA 0.468 4.585 4.120 -0.005 0.000 0.279 4322 V C 0.183 176.288 176.094 0.018 0.000 1.045 4322 V CA -0.567 61.741 62.300 0.014 0.000 0.938 4322 V CB 1.205 33.039 31.823 0.018 0.000 0.986 4322 V HN 0.242 nan 8.190 nan 0.000 0.467 4323 V N 2.611 122.535 119.914 0.017 0.000 3.103 4323 V HA 0.842 4.960 4.120 -0.005 0.000 0.318 4323 V C -0.126 175.985 176.094 0.028 0.000 1.114 4323 V CA -0.491 61.825 62.300 0.026 0.000 1.020 4323 V CB 2.393 34.227 31.823 0.019 0.000 1.085 4323 V HN 0.733 nan 8.190 nan 0.000 0.446 4324 S N 1.546 117.269 115.700 0.038 0.000 2.638 4324 S HA 0.829 5.296 4.470 -0.005 0.000 0.298 4324 S C -0.514 174.109 174.600 0.038 0.000 1.111 4324 S CA -0.559 57.662 58.200 0.036 0.000 1.027 4324 S CB 1.320 64.544 63.200 0.041 0.000 1.064 4324 S HN 0.722 nan 8.310 nan 0.000 0.525 4325 I N 2.018 122.607 120.570 0.032 0.000 2.534 4325 I HA 0.363 4.530 4.170 -0.005 0.000 0.288 4325 I C -1.239 174.898 176.117 0.034 0.000 1.077 4325 I CA -0.617 60.702 61.300 0.032 0.000 1.051 4325 I CB 2.182 40.194 38.000 0.020 0.000 1.234 4325 I HN 0.473 nan 8.210 nan 0.000 0.425 4326 N N 4.516 123.237 118.700 0.035 0.000 2.442 4326 N HA 0.544 5.281 4.740 -0.005 0.000 0.274 4326 N C -1.129 174.396 175.510 0.024 0.000 1.002 4326 N CA -0.277 52.792 53.050 0.031 0.000 0.910 4326 N CB 2.270 40.772 38.487 0.025 0.000 1.244 4326 N HN 0.169 nan 8.380 nan 0.000 0.492 4327 V N 1.359 121.291 119.914 0.029 0.000 2.630 4327 V HA 0.510 4.627 4.120 -0.005 0.000 0.305 4327 V C -0.110 175.940 176.094 -0.074 0.000 1.046 4327 V CA -0.717 61.591 62.300 0.014 0.000 0.934 4327 V CB 1.830 33.703 31.823 0.083 0.000 1.003 4327 V HN 0.606 nan 8.190 nan 0.000 0.451 4328 E N 1.791 121.901 120.200 -0.150 0.000 2.256 4328 E HA 0.729 5.076 4.350 -0.005 0.000 0.268 4328 E C -0.466 175.895 176.600 -0.398 0.000 0.877 4328 E CA -0.324 55.895 56.400 -0.301 0.000 0.757 4328 E CB 2.196 31.797 29.700 -0.165 0.000 1.183 4328 E HN 0.923 nan 8.360 nan 0.000 0.418 4329 G N 1.379 109.693 108.800 -0.809 0.000 2.495 4329 G HA2 0.467 4.424 3.960 -0.005 0.000 0.294 4329 G HA3 0.467 4.424 3.960 -0.005 0.000 0.294 4329 G C -1.198 173.420 174.900 -0.470 0.000 1.397 4329 G CA -0.158 44.630 45.100 -0.520 0.000 0.790 4329 G HN 0.640 nan 8.290 nan 0.000 0.486 4330 S N -1.832 113.944 115.700 0.127 0.000 2.740 4330 S HA 0.923 5.390 4.470 -0.005 0.000 0.300 4330 S C -0.434 174.404 174.600 0.397 0.000 1.147 4330 S CA 0.101 58.473 58.200 0.287 0.000 0.871 4330 S CB 2.102 65.382 63.200 0.133 0.000 1.173 4330 S HN 1.828 nan 8.310 nan 0.000 0.510 4331 T N -0.705 114.008 114.554 0.265 0.000 2.718 4331 T HA 0.508 4.855 4.350 -0.005 0.000 0.306 4331 T C -1.543 173.219 174.700 0.103 0.000 1.485 4331 T CA -0.415 61.778 62.100 0.155 0.000 0.997 4331 T CB 1.332 70.252 68.868 0.087 0.000 1.504 4331 T HN 0.723 nan 8.240 nan 0.000 0.497 4332 T N 1.956 116.549 114.554 0.065 0.000 2.743 4332 T HA 0.610 4.957 4.350 -0.005 0.000 0.293 4332 T C -0.398 174.328 174.700 0.043 0.000 0.945 4332 T CA -0.288 61.844 62.100 0.053 0.000 1.030 4332 T CB 0.804 69.696 68.868 0.041 0.000 0.912 4332 T HN 0.588 nan 8.240 nan 0.000 0.483 4333 V N 4.718 124.662 119.914 0.049 0.000 2.919 4333 V HA 0.551 4.668 4.120 -0.005 0.000 0.316 4333 V C -0.490 175.632 176.094 0.047 0.000 1.077 4333 V CA -1.076 61.252 62.300 0.047 0.000 0.977 4333 V CB 2.063 33.919 31.823 0.055 0.000 1.039 4333 V HN 0.795 nan 8.190 nan 0.000 0.441 4334 N N 1.849 120.580 118.700 0.052 0.000 2.513 4334 N HA 0.260 4.997 4.740 -0.005 0.000 0.274 4334 N C -0.407 175.137 175.510 0.057 0.000 1.189 4334 N CA -0.123 52.961 53.050 0.055 0.000 0.975 4334 N CB 0.965 39.495 38.487 0.070 0.000 1.157 4334 N HN 0.724 nan 8.380 nan 0.000 0.465 4335 T N 2.996 117.581 114.554 0.052 0.000 2.752 4335 T HA 0.219 4.566 4.350 -0.005 0.000 0.295 4335 T C -2.106 172.625 174.700 0.052 0.000 0.923 4335 T CA -0.770 61.358 62.100 0.046 0.000 1.112 4335 T CB 0.312 69.203 68.868 0.038 0.000 0.884 4335 T HN 0.252 nan 8.240 nan 0.000 0.525 4336 P HA 0.110 nan 4.420 nan 0.000 0.264 4336 P C -0.159 177.158 177.300 0.029 0.000 1.193 4336 P CA -0.197 62.924 63.100 0.034 0.000 0.763 4336 P CB 0.480 32.191 31.700 0.019 0.000 0.810 4337 R N 3.279 123.796 120.500 0.028 0.000 2.294 4337 R HA 0.536 4.873 4.340 -0.005 0.000 0.319 4337 R C -0.167 176.131 176.300 -0.002 0.000 0.984 4337 R CA -0.669 55.446 56.100 0.024 0.000 0.861 4337 R CB 1.106 31.436 30.300 0.049 0.000 1.104 4337 R HN 0.475 nan 8.270 nan 0.000 0.451 4338 M N 2.121 121.720 119.600 -0.003 0.000 2.644 4338 M HA 0.425 4.902 4.480 -0.005 0.000 0.316 4338 M C -1.768 174.524 176.300 -0.013 0.000 1.200 4338 M CA -1.729 53.563 55.300 -0.013 0.000 0.944 4338 M CB 1.020 33.616 32.600 -0.007 0.000 1.691 4338 M HN 0.394 nan 8.290 nan 0.000 0.471 4339 P HA 0.382 nan 4.420 nan 0.000 0.288 4339 P C -1.197 176.079 177.300 -0.040 0.000 1.291 4339 P CA -0.474 62.611 63.100 -0.026 0.000 0.766 4339 P CB 0.524 32.207 31.700 -0.028 0.000 1.242 4340 R N 1.367 121.844 120.500 -0.038 0.000 2.310 4340 R HA 0.375 4.712 4.340 -0.005 0.000 0.324 4340 R C -0.534 175.733 176.300 -0.055 0.000 0.955 4340 R CA -0.520 55.548 56.100 -0.053 0.000 0.830 4340 R CB -0.110 30.172 30.300 -0.031 0.000 1.154 4340 R HN 0.359 nan 8.270 nan 0.000 0.458 4341 N N 3.759 122.396 118.700 -0.105 0.000 2.511 4341 N HA 0.050 4.787 4.740 -0.005 0.000 0.249 4341 N C 0.375 175.782 175.510 -0.170 0.000 0.971 4341 N CA -0.275 52.670 53.050 -0.176 0.000 0.938 4341 N CB 0.600 38.966 38.487 -0.201 0.000 1.131 4341 N HN 0.439 nan 8.380 nan 0.000 0.505 4342 F N 2.620 122.511 119.950 -0.097 0.000 2.771 4342 F HA 0.082 4.609 4.527 0.001 0.000 0.299 4342 F C 1.021 176.770 175.800 -0.084 0.000 1.177 4342 F CA 0.159 58.108 58.000 -0.085 0.000 1.450 4342 F CB -0.087 38.880 39.000 -0.055 0.000 1.114 4342 F HN 0.458 nan 8.300 nan 0.000 0.587 4343 Q N 1.125 120.661 119.800 -0.441 0.000 2.211 4343 Q HA 0.219 4.556 4.340 -0.005 0.000 0.301 4343 Q C -0.376 175.369 176.000 -0.424 0.000 0.884 4343 Q CA -0.329 55.268 55.803 -0.343 0.000 1.115 4343 Q CB 0.215 28.686 28.738 -0.446 0.000 1.217 4343 Q HN 0.683 nan 8.270 nan 0.000 0.451 4344 Q N 1.360 120.907 119.800 -0.422 0.000 3.147 4344 Q HA 0.218 4.555 4.340 -0.005 0.000 0.224 4344 Q C -1.508 174.270 176.000 -0.370 0.000 0.901 4344 Q CA -0.763 54.726 55.803 -0.523 0.000 0.729 4344 Q CB 0.576 29.134 28.738 -0.299 0.000 1.363 4344 Q HN 0.400 nan 8.270 nan 0.000 0.467 4345 F N 3.661 123.665 119.950 0.091 0.000 2.556 4345 F HA 0.286 4.811 4.527 -0.003 0.000 0.344 4345 F C 0.310 176.283 175.800 0.289 0.000 1.255 4345 F CA -1.223 56.888 58.000 0.185 0.000 1.091 4345 F CB -1.091 37.992 39.000 0.137 0.000 1.325 4345 F HN 0.316 nan 8.300 nan 0.000 0.627 4346 F N 1.176 121.202 119.950 0.126 0.000 2.290 4346 F HA 0.619 5.142 4.527 -0.008 0.000 0.282 4346 F C 0.954 176.816 175.800 0.103 0.000 1.251 4346 F CA -0.528 57.525 58.000 0.088 0.000 1.269 4346 F CB -0.410 38.615 39.000 0.043 0.000 1.455 4346 F HN 0.880 nan 8.300 nan 0.000 0.501 4347 G N -0.271 108.359 108.800 -0.284 0.000 3.277 4347 G HA2 0.346 4.303 3.960 -0.005 0.000 0.684 4347 G HA3 0.346 4.303 3.960 -0.005 0.000 0.684 4347 G C -0.646 174.174 174.900 -0.134 0.000 0.923 4347 G CA -0.489 44.367 45.100 -0.407 0.000 0.779 4347 G HN 1.676 nan 8.290 nan 0.000 0.508 4348 G N 1.752 110.570 108.800 0.031 0.000 2.741 4348 G HA2 0.930 4.887 3.960 -0.005 0.000 0.293 4348 G HA3 0.930 4.887 3.960 -0.005 0.000 0.293 4348 G C -0.643 174.278 174.900 0.035 0.000 1.457 4348 G CA 0.226 45.346 45.100 0.032 0.000 1.098 4348 G HN 1.477 nan 8.290 nan 0.000 0.536 4349 Q N 1.262 121.086 119.800 0.040 0.000 2.386 4349 Q HA 0.455 4.793 4.340 -0.005 0.000 0.274 4349 Q C -1.288 174.744 176.000 0.052 0.000 1.011 4349 Q CA -1.238 54.591 55.803 0.042 0.000 0.867 4349 Q CB 1.810 30.572 28.738 0.039 0.000 1.409 4349 Q HN 0.310 nan 8.270 nan 0.000 0.395 4350 Q N 1.426 121.260 119.800 0.056 0.000 2.373 4350 Q HA 0.305 4.642 4.340 -0.005 0.000 0.255 4350 Q C -0.967 175.079 176.000 0.076 0.000 0.980 4350 Q CA 0.240 56.086 55.803 0.072 0.000 0.882 4350 Q CB 1.214 29.994 28.738 0.072 0.000 1.249 4350 Q HN 0.567 nan 8.270 nan 0.000 0.438 4351 Q N 0.908 120.770 119.800 0.104 0.000 2.305 4351 Q HA 0.337 4.674 4.340 -0.005 0.000 0.271 4351 Q C -1.215 174.879 176.000 0.157 0.000 1.046 4351 Q CA -0.349 55.521 55.803 0.111 0.000 0.798 4351 Q CB 1.710 30.515 28.738 0.112 0.000 1.286 4351 Q HN 0.268 nan 8.270 nan 0.000 0.435 4352 K N 2.353 122.811 120.400 0.097 0.000 2.237 4352 K HA 0.568 4.885 4.320 -0.005 0.000 0.270 4352 K C -0.427 176.234 176.600 0.102 0.000 1.015 4352 K CA -0.195 56.111 56.287 0.032 0.000 0.949 4352 K CB 0.589 33.067 32.500 -0.038 0.000 0.976 4352 K HN 0.561 nan 8.250 nan 0.000 0.472 4353 F N -1.218 118.751 119.950 0.032 0.000 2.685 4353 F HA 0.618 5.142 4.527 -0.005 0.000 0.315 4353 F C -1.146 174.673 175.800 0.032 0.000 1.126 4353 F CA -1.422 56.597 58.000 0.032 0.000 0.950 4353 F CB 1.261 40.282 39.000 0.035 0.000 1.360 4353 F HN 0.212 nan 8.300 nan 0.000 0.469 4354 M N 2.078 121.757 119.600 0.132 0.000 2.393 4354 M HA 0.772 5.249 4.480 -0.005 0.000 0.299 4354 M C -1.034 175.417 176.300 0.251 0.000 1.103 4354 M CA -0.809 54.518 55.300 0.045 0.000 0.910 4354 M CB 2.368 34.985 32.600 0.028 0.000 1.659 4354 M HN 0.988 nan 8.290 nan 0.000 0.445 4355 A N 3.395 126.342 122.820 0.212 0.000 2.469 4355 A HA 1.019 5.336 4.320 -0.005 0.000 0.299 4355 A C -1.655 175.999 177.584 0.117 0.000 1.098 4355 A CA -0.769 51.397 52.037 0.215 0.000 0.737 4355 A CB 1.948 21.121 19.000 0.289 0.000 1.312 4355 A HN 0.968 nan 8.150 nan 0.000 0.414 4356 L N 0.208 121.486 121.223 0.092 0.000 2.472 4356 L HA 0.947 5.284 4.340 -0.005 0.000 0.260 4356 L C -0.438 176.455 176.870 0.040 0.000 0.963 4356 L CA -0.105 54.770 54.840 0.059 0.000 0.829 4356 L CB 1.900 43.994 42.059 0.057 0.000 1.348 4356 L HN 1.257 nan 8.230 nan 0.000 0.408 4357 G N 1.475 110.286 108.800 0.018 0.000 2.682 4357 G HA2 0.614 4.571 3.960 -0.005 0.000 0.303 4357 G HA3 0.614 4.571 3.960 -0.005 0.000 0.303 4357 G C -1.762 173.138 174.900 -0.000 0.000 1.341 4357 G CA -0.459 44.639 45.100 -0.003 0.000 0.784 4357 G HN 0.665 nan 8.290 nan 0.000 0.497 4358 S N -1.953 113.743 115.700 -0.006 0.000 2.704 4358 S HA 0.918 5.385 4.470 -0.005 0.000 0.305 4358 S C 0.094 174.693 174.600 -0.003 0.000 1.107 4358 S CA 0.038 58.240 58.200 0.004 0.000 0.993 4358 S CB 1.729 64.936 63.200 0.010 0.000 1.110 4358 S HN 1.394 nan 8.310 nan 0.000 0.534 4359 G N -0.341 108.462 108.800 0.005 0.000 2.684 4359 G HA2 0.618 4.575 3.960 -0.005 0.000 0.290 4359 G HA3 0.618 4.575 3.960 -0.005 0.000 0.290 4359 G C -2.002 172.903 174.900 0.008 0.000 1.425 4359 G CA -0.447 44.655 45.100 0.003 0.000 0.822 4359 G HN 0.611 nan 8.290 nan 0.000 0.482 4360 V N 0.987 120.905 119.914 0.008 0.000 2.531 4360 V HA 0.382 4.499 4.120 -0.005 0.000 0.301 4360 V C 0.076 176.175 176.094 0.009 0.000 1.034 4360 V CA -0.614 61.691 62.300 0.008 0.000 0.865 4360 V CB 1.648 33.477 31.823 0.011 0.000 0.995 4360 V HN 0.665 nan 8.190 nan 0.000 0.424 4361 I N 5.041 125.612 120.570 0.002 0.000 2.587 4361 I HA 0.076 4.243 4.170 -0.005 0.000 0.284 4361 I C 0.683 176.808 176.117 0.014 0.000 1.134 4361 I CA 0.461 61.760 61.300 -0.000 0.000 1.410 4361 I CB 0.779 38.763 38.000 -0.025 0.000 1.392 4361 I HN 0.567 nan 8.210 nan 0.000 0.545 4362 I N 4.196 124.790 120.570 0.039 0.000 4.323 4362 I HA 0.152 4.319 4.170 -0.005 0.000 0.328 4362 I C 0.052 176.209 176.117 0.066 0.000 1.310 4362 I CA 0.755 62.082 61.300 0.045 0.000 1.186 4362 I CB 0.253 38.276 38.000 0.037 0.000 1.130 4362 I HN 0.475 nan 8.210 nan 0.000 0.411 4363 D N -0.244 120.206 120.400 0.083 0.000 2.386 4363 D HA 0.406 5.043 4.640 -0.005 0.000 0.247 4363 D C 0.805 177.084 176.300 -0.036 0.000 1.336 4363 D CA 0.131 54.166 54.000 0.058 0.000 0.976 4363 D CB 1.561 42.464 40.800 0.172 0.000 1.257 4363 D HN 0.035 nan 8.370 nan 0.000 0.570 4364 A N 3.407 126.201 122.820 -0.043 0.000 1.933 4364 A HA -0.155 4.162 4.320 -0.005 0.000 0.218 4364 A C 1.613 179.133 177.584 -0.107 0.000 1.175 4364 A CA 1.543 53.536 52.037 -0.073 0.000 0.628 4364 A CB -0.096 18.874 19.000 -0.051 0.000 0.814 4364 A HN 0.530 nan 8.150 nan 0.000 0.444 4365 D N -0.633 119.705 120.400 -0.104 0.000 2.103 4365 D HA -0.044 4.593 4.640 -0.005 0.000 0.199 4365 D C 1.842 178.022 176.300 -0.199 0.000 0.978 4365 D CA 0.970 54.896 54.000 -0.122 0.000 0.829 4365 D CB 0.026 40.771 40.800 -0.092 0.000 0.981 4365 D HN 0.136 nan 8.370 nan 0.000 0.464 4366 K N -0.270 119.943 120.400 -0.313 0.000 2.459 4366 K HA 0.140 4.457 4.320 -0.005 0.000 0.193 4366 K C 0.885 177.136 176.600 -0.581 0.000 1.030 4366 K CA 0.598 56.543 56.287 -0.571 0.000 1.026 4366 K CB 0.377 32.214 32.500 -1.106 0.000 0.809 4366 K HN 0.217 nan 8.250 nan 0.000 0.504 4367 G N 1.783 110.369 108.800 -0.357 0.000 2.272 4367 G HA2 -0.290 3.668 3.960 -0.005 0.000 0.280 4367 G HA3 -0.290 3.668 3.960 -0.005 0.000 0.280 4367 G C -0.414 174.403 174.900 -0.140 0.000 1.067 4367 G CA -0.037 44.915 45.100 -0.246 0.000 0.902 4367 G HN 0.393 nan 8.290 nan 0.000 0.500 4368 Y N -0.820 119.441 120.300 -0.064 0.000 2.404 4368 Y HA 0.439 4.986 4.550 -0.005 0.000 0.344 4368 Y C 0.675 176.546 175.900 -0.048 0.000 0.995 4368 Y CA -1.146 56.924 58.100 -0.049 0.000 1.201 4368 Y CB 1.457 39.893 38.460 -0.041 0.000 1.151 4368 Y HN 0.065 nan 8.280 nan 0.000 0.517 4369 V N 5.797 125.791 119.914 0.134 0.000 2.448 4369 V HA 0.216 4.333 4.120 -0.005 0.000 0.295 4369 V C -0.381 175.730 176.094 0.028 0.000 1.025 4369 V CA -0.886 61.445 62.300 0.052 0.000 0.859 4369 V CB 1.784 33.621 31.823 0.023 0.000 0.988 4369 V HN 0.498 nan 8.190 nan 0.000 0.431 4370 V N 5.328 125.250 119.914 0.012 0.000 2.607 4370 V HA 0.785 4.902 4.120 -0.005 0.000 0.289 4370 V C 0.201 176.292 176.094 -0.005 0.000 1.053 4370 V CA 0.778 63.075 62.300 -0.005 0.000 0.996 4370 V CB 1.754 33.572 31.823 -0.010 0.000 0.995 4370 V HN 1.105 nan 8.190 nan 0.000 0.476 4371 T N 4.008 118.554 114.554 -0.013 0.000 2.665 4371 T HA 0.412 4.759 4.350 -0.005 0.000 0.303 4371 T C -0.983 173.693 174.700 -0.040 0.000 1.334 4371 T CA -0.721 61.364 62.100 -0.025 0.000 1.011 4371 T CB 1.246 70.095 68.868 -0.031 0.000 1.573 4371 T HN 0.745 nan 8.240 nan 0.000 0.492 4372 N N 2.388 121.031 118.700 -0.095 0.000 2.529 4372 N HA 0.269 5.006 4.740 -0.005 0.000 0.278 4372 N C 1.134 176.557 175.510 -0.144 0.000 1.146 4372 N CA -0.570 52.405 53.050 -0.126 0.000 0.980 4372 N CB 0.648 38.946 38.487 -0.315 0.000 1.124 4372 N HN 0.616 nan 8.380 nan 0.000 0.458 4373 N N 1.869 120.551 118.700 -0.030 0.000 2.381 4373 N HA -0.203 4.535 4.740 -0.005 0.000 0.182 4373 N C 0.909 176.427 175.510 0.013 0.000 1.025 4373 N CA 0.869 53.919 53.050 0.000 0.000 0.888 4373 N CB -0.014 38.497 38.487 0.041 0.000 0.965 4373 N HN 0.724 nan 8.380 nan 0.000 0.438 4374 H N -0.774 118.309 119.070 0.021 0.000 2.555 4374 H HA 0.064 4.617 4.556 -0.005 0.000 0.269 4374 H C 1.523 176.863 175.328 0.020 0.000 0.988 4374 H CA 0.417 56.470 56.048 0.008 0.000 1.178 4374 H CB 0.083 29.844 29.762 -0.002 0.000 1.373 4374 H HN 0.069 nan 8.280 nan 0.000 0.588 4375 V N 1.373 121.135 119.914 -0.254 0.000 2.521 4375 V HA -0.128 3.989 4.120 -0.005 0.000 0.239 4375 V C 2.878 178.986 176.094 0.024 0.000 1.053 4375 V CA 1.020 63.249 62.300 -0.117 0.000 1.073 4375 V CB 0.008 31.722 31.823 -0.182 0.000 0.746 4375 V HN 0.453 nan 8.190 nan 0.000 0.476 4376 V N -1.811 118.106 119.914 0.006 0.000 3.306 4376 V HA 0.111 4.228 4.120 -0.005 0.000 0.264 4376 V C 0.898 177.047 176.094 0.092 0.000 1.149 4376 V CA 0.407 62.742 62.300 0.058 0.000 1.143 4376 V CB -0.534 31.307 31.823 0.031 0.000 0.767 4376 V HN 0.458 nan 8.190 nan 0.000 0.476 4377 D N 2.217 122.661 120.400 0.073 0.000 2.533 4377 D HA -0.044 4.593 4.640 -0.005 0.000 0.236 4377 D C 0.871 177.250 176.300 0.132 0.000 1.137 4377 D CA 1.169 55.212 54.000 0.072 0.000 0.867 4377 D CB -0.055 40.768 40.800 0.038 0.000 1.170 4377 D HN 0.491 nan 8.370 nan 0.000 0.474 4378 N N 0.513 119.291 118.700 0.130 0.000 2.800 4378 N HA -0.201 4.536 4.740 -0.005 0.000 0.250 4378 N C -0.544 175.147 175.510 0.301 0.000 1.078 4378 N CA 0.956 54.128 53.050 0.204 0.000 0.804 4378 N CB -1.356 37.255 38.487 0.207 0.000 1.135 4378 N HN 0.528 nan 8.380 nan 0.000 0.565 4379 A N -0.244 122.708 122.820 0.219 0.000 2.407 4379 A HA 0.449 4.766 4.320 -0.005 0.000 0.248 4379 A C 1.321 178.971 177.584 0.109 0.000 1.082 4379 A CA 0.891 53.020 52.037 0.153 0.000 0.785 4379 A CB 0.453 19.519 19.000 0.110 0.000 1.020 4379 A HN 0.229 nan 8.150 nan 0.000 0.489 4380 T N 0.367 114.959 114.554 0.063 0.000 3.056 4380 T HA 0.235 4.582 4.350 -0.005 0.000 0.243 4380 T C 0.026 174.770 174.700 0.073 0.000 0.995 4380 T CA 0.620 62.780 62.100 0.100 0.000 1.091 4380 T CB 0.270 69.176 68.868 0.063 0.000 0.990 4380 T HN 0.378 nan 8.240 nan 0.000 0.464 4381 V N 2.830 122.754 119.914 0.016 0.000 2.525 4381 V HA 0.610 4.727 4.120 -0.005 0.000 0.299 4381 V C -1.372 174.729 176.094 0.012 0.000 1.034 4381 V CA -1.204 61.104 62.300 0.014 0.000 0.863 4381 V CB 1.794 33.609 31.823 -0.014 0.000 0.999 4381 V HN 0.430 nan 8.190 nan 0.000 0.423 4382 I N 4.154 124.744 120.570 0.034 0.000 2.410 4382 I HA 0.623 4.790 4.170 -0.005 0.000 0.286 4382 I C -0.482 175.661 176.117 0.044 0.000 1.009 4382 I CA -0.087 61.235 61.300 0.037 0.000 1.111 4382 I CB 1.172 39.199 38.000 0.046 0.000 1.262 4382 I HN 0.480 nan 8.210 nan 0.000 0.443 4383 K N 5.302 125.726 120.400 0.040 0.000 2.123 4383 K HA 0.795 5.112 4.320 -0.005 0.000 0.259 4383 K C -1.290 175.350 176.600 0.067 0.000 0.960 4383 K CA -0.938 55.382 56.287 0.055 0.000 0.872 4383 K CB 2.357 34.881 32.500 0.039 0.000 1.079 4383 K HN 0.493 nan 8.250 nan 0.000 0.440 4384 V N 2.377 122.352 119.914 0.101 0.000 2.656 4384 V HA 0.279 4.396 4.120 -0.005 0.000 0.307 4384 V C -0.889 175.299 176.094 0.156 0.000 1.051 4384 V CA -0.797 61.569 62.300 0.109 0.000 0.893 4384 V CB 1.726 33.606 31.823 0.095 0.000 0.999 4384 V HN 0.721 nan 8.190 nan 0.000 0.426 4385 Q N 3.833 123.705 119.800 0.119 0.000 2.327 4385 Q HA 0.608 4.945 4.340 -0.005 0.000 0.270 4385 Q C -1.025 175.046 176.000 0.119 0.000 1.022 4385 Q CA -0.581 55.299 55.803 0.129 0.000 0.773 4385 Q CB 1.643 30.428 28.738 0.077 0.000 1.251 4385 Q HN 0.719 nan 8.270 nan 0.000 0.457 4386 L N 1.423 122.746 121.223 0.165 0.000 2.473 4386 L HA 0.046 4.383 4.340 -0.005 0.000 0.265 4386 L C 1.604 178.522 176.870 0.079 0.000 1.243 4386 L CA 0.346 55.255 54.840 0.116 0.000 0.822 4386 L CB 0.369 42.527 42.059 0.165 0.000 1.101 4386 L HN 0.851 nan 8.230 nan 0.000 0.507 4387 S N -0.959 114.775 115.700 0.057 0.000 2.515 4387 S HA -0.120 4.347 4.470 -0.005 0.000 0.231 4387 S C 1.060 175.687 174.600 0.044 0.000 0.987 4387 S CA 0.701 58.927 58.200 0.044 0.000 0.936 4387 S CB -0.325 62.895 63.200 0.034 0.000 0.766 4387 S HN 0.835 nan 8.310 nan 0.000 0.528 4388 D N -0.009 120.423 120.400 0.053 0.000 2.340 4388 D HA 0.254 4.891 4.640 -0.005 0.000 0.220 4388 D C 1.454 177.780 176.300 0.044 0.000 1.039 4388 D CA 0.686 54.714 54.000 0.046 0.000 0.866 4388 D CB -0.477 40.352 40.800 0.049 0.000 0.913 4388 D HN 0.583 nan 8.370 nan 0.000 0.523 4389 G N 0.171 109.003 108.800 0.053 0.000 2.195 4389 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.224 4389 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.224 4389 G C 0.261 175.179 174.900 0.030 0.000 0.990 4389 G CA -0.217 44.906 45.100 0.038 0.000 0.639 4389 G HN 0.430 nan 8.290 nan 0.000 0.514 4390 R N 0.892 121.428 120.500 0.059 0.000 2.590 4390 R HA 0.525 4.862 4.340 -0.005 0.000 0.274 4390 R C 0.363 176.661 176.300 -0.004 0.000 1.061 4390 R CA 0.336 56.434 56.100 -0.004 0.000 1.081 4390 R CB 0.525 30.883 30.300 0.096 0.000 0.984 4390 R HN 0.241 nan 8.270 nan 0.000 0.448 4391 K N 2.453 122.714 120.400 -0.231 0.000 2.164 4391 K HA 0.445 4.762 4.320 -0.005 0.000 0.258 4391 K C -0.943 175.421 176.600 -0.392 0.000 0.951 4391 K CA -0.435 55.771 56.287 -0.135 0.000 0.844 4391 K CB 1.273 33.717 32.500 -0.093 0.000 1.099 4391 K HN 0.247 nan 8.250 nan 0.000 0.435 4392 F N -0.159 119.792 119.950 0.003 0.000 2.675 4392 F HA 0.333 4.857 4.527 -0.005 0.000 0.324 4392 F C -0.074 175.729 175.800 0.005 0.000 1.106 4392 F CA -0.950 57.051 58.000 0.002 0.000 0.970 4392 F CB 1.566 40.567 39.000 0.002 0.000 1.385 4392 F HN 0.342 nan 8.300 nan 0.000 0.489 4393 D N 0.262 120.799 120.400 0.229 0.000 2.272 4393 D HA 0.737 5.374 4.640 -0.005 0.000 0.247 4393 D C -0.927 175.444 176.300 0.118 0.000 0.990 4393 D CA -0.175 53.901 54.000 0.127 0.000 0.931 4393 D CB 2.066 42.917 40.800 0.086 0.000 1.195 4393 D HN 0.669 nan 8.370 nan 0.000 0.477 4394 A N 0.914 123.784 122.820 0.083 0.000 2.515 4394 A HA 0.700 5.017 4.320 -0.005 0.000 0.296 4394 A C -0.979 176.643 177.584 0.063 0.000 1.094 4394 A CA -0.751 51.326 52.037 0.067 0.000 0.718 4394 A CB 1.885 20.919 19.000 0.057 0.000 1.307 4394 A HN 0.365 nan 8.150 nan 0.000 0.408 4395 K N 1.268 121.705 120.400 0.063 0.000 2.426 4395 K HA 0.477 4.795 4.320 -0.005 0.000 0.251 4395 K C -0.977 175.659 176.600 0.060 0.000 0.941 4395 K CA -1.011 55.314 56.287 0.063 0.000 0.808 4395 K CB 1.707 34.246 32.500 0.064 0.000 1.265 4395 K HN 0.661 nan 8.250 nan 0.000 0.432 4396 M N 2.243 121.874 119.600 0.051 0.000 2.252 4396 M HA -0.022 4.455 4.480 -0.005 0.000 0.348 4396 M C 1.008 177.330 176.300 0.037 0.000 1.334 4396 M CA 0.414 55.738 55.300 0.039 0.000 1.071 4396 M CB 0.800 33.418 32.600 0.031 0.000 1.763 4396 M HN 0.666 nan 8.290 nan 0.000 0.452 4397 V N 2.724 122.654 119.914 0.026 0.000 3.539 4397 V HA 0.567 4.684 4.120 -0.005 0.000 0.262 4397 V C 0.365 176.450 176.094 -0.015 0.000 1.381 4397 V CA 1.180 63.489 62.300 0.015 0.000 1.060 4397 V CB 1.067 32.901 31.823 0.019 0.000 0.842 4397 V HN 0.888 nan 8.190 nan 0.000 0.445 4398 G N 0.631 109.419 108.800 -0.020 0.000 2.579 4398 G HA2 0.579 4.536 3.960 -0.005 0.000 0.292 4398 G HA3 0.579 4.536 3.960 -0.005 0.000 0.292 4398 G C -1.579 173.312 174.900 -0.015 0.000 1.484 4398 G CA -0.294 44.792 45.100 -0.022 0.000 0.813 4398 G HN 0.656 nan 8.290 nan 0.000 0.515 4399 K N -0.364 120.032 120.400 -0.007 0.000 2.587 4399 K HA 0.683 5.000 4.320 -0.005 0.000 0.276 4399 K C -2.389 174.213 176.600 0.004 0.000 0.956 4399 K CA -0.973 55.313 56.287 -0.000 0.000 0.857 4399 K CB 2.689 35.194 32.500 0.008 0.000 1.431 4399 K HN 0.490 nan 8.250 nan 0.000 0.420 4400 D N 2.286 122.691 120.400 0.009 0.000 2.337 4400 D HA 0.322 4.959 4.640 -0.005 0.000 0.238 4400 D C -2.183 174.131 176.300 0.024 0.000 1.331 4400 D CA -1.808 52.199 54.000 0.011 0.000 0.967 4400 D CB 1.990 42.791 40.800 0.003 0.000 1.382 4400 D HN 0.275 nan 8.370 nan 0.000 0.549 4401 P HA -0.195 nan 4.420 nan 0.000 0.217 4401 P C 1.511 178.842 177.300 0.052 0.000 1.148 4401 P CA 0.718 63.843 63.100 0.042 0.000 0.834 4401 P CB 0.280 32.000 31.700 0.033 0.000 0.783 4402 R N 0.022 120.546 120.500 0.041 0.000 2.088 4402 R HA -0.101 4.236 4.340 -0.005 0.000 0.232 4402 R C 2.385 178.731 176.300 0.077 0.000 1.136 4402 R CA 2.362 58.492 56.100 0.051 0.000 0.926 4402 R CB -1.561 28.754 30.300 0.025 0.000 0.837 4402 R HN 0.316 nan 8.270 nan 0.000 0.429 4403 S N 0.288 116.014 115.700 0.044 0.000 2.522 4403 S HA -0.107 4.360 4.470 -0.005 0.000 0.227 4403 S C 0.422 175.081 174.600 0.098 0.000 0.986 4403 S CA 0.933 59.154 58.200 0.034 0.000 0.929 4403 S CB -0.051 63.132 63.200 -0.027 0.000 0.769 4403 S HN 0.416 nan 8.310 nan 0.000 0.529 4404 D N -0.036 120.423 120.400 0.099 0.000 2.800 4404 D HA -0.150 4.487 4.640 -0.005 0.000 0.232 4404 D C -0.763 175.595 176.300 0.097 0.000 1.137 4404 D CA 0.604 54.679 54.000 0.126 0.000 0.718 4404 D CB -1.692 39.223 40.800 0.192 0.000 1.084 4404 D HN 0.526 nan 8.370 nan 0.000 0.432 4405 I N 0.093 120.693 120.570 0.050 0.000 2.474 4405 I HA 0.737 4.904 4.170 -0.005 0.000 0.294 4405 I C 0.536 176.656 176.117 0.004 0.000 1.005 4405 I CA -0.681 60.633 61.300 0.022 0.000 1.113 4405 I CB 1.513 39.517 38.000 0.006 0.000 1.289 4405 I HN 0.215 nan 8.210 nan 0.000 0.436 4406 A N 6.901 129.716 122.820 -0.009 0.000 2.498 4406 A HA 0.797 5.114 4.320 -0.005 0.000 0.298 4406 A C -1.546 176.023 177.584 -0.025 0.000 1.075 4406 A CA -0.567 51.461 52.037 -0.015 0.000 0.714 4406 A CB 2.279 21.273 19.000 -0.011 0.000 1.299 4406 A HN 0.668 nan 8.150 nan 0.000 0.407 4407 L N 2.529 123.732 121.223 -0.034 0.000 2.346 4407 L HA 0.761 5.098 4.340 -0.005 0.000 0.276 4407 L C -0.787 176.076 176.870 -0.012 0.000 1.006 4407 L CA -0.790 54.022 54.840 -0.048 0.000 0.817 4407 L CB 1.502 43.487 42.059 -0.123 0.000 1.272 4407 L HN 0.850 nan 8.230 nan 0.000 0.421 4408 I N 0.501 121.087 120.570 0.025 0.000 3.174 4408 I HA 0.548 4.715 4.170 -0.005 0.000 0.313 4408 I C -1.380 174.819 176.117 0.137 0.000 1.155 4408 I CA -0.827 60.510 61.300 0.063 0.000 0.977 4408 I CB 2.441 40.468 38.000 0.045 0.000 1.248 4408 I HN 0.576 nan 8.210 nan 0.000 0.453 4409 Q N 2.506 122.382 119.800 0.126 0.000 2.292 4409 Q HA 0.552 4.890 4.340 -0.005 0.000 0.270 4409 Q C -1.342 174.677 176.000 0.032 0.000 1.024 4409 Q CA -0.807 55.069 55.803 0.121 0.000 0.768 4409 Q CB 2.536 31.364 28.738 0.150 0.000 1.250 4409 Q HN 0.662 nan 8.270 nan 0.000 0.447 4410 I N 3.612 124.162 120.570 -0.034 0.000 2.598 4410 I HA -0.051 4.116 4.170 -0.005 0.000 0.284 4410 I C 0.256 176.353 176.117 -0.034 0.000 1.140 4410 I CA 0.073 61.332 61.300 -0.068 0.000 1.420 4410 I CB 0.548 38.398 38.000 -0.251 0.000 1.387 4410 I HN 0.366 nan 8.210 nan 0.000 0.553 4411 Q N 6.653 126.481 119.800 0.047 0.000 2.295 4411 Q HA 0.142 4.480 4.340 -0.005 0.000 0.259 4411 Q C -0.197 175.872 176.000 0.115 0.000 0.976 4411 Q CA 0.055 55.897 55.803 0.065 0.000 0.923 4411 Q CB 0.615 29.401 28.738 0.081 0.000 1.185 4411 Q HN 0.552 nan 8.270 nan 0.000 0.410 4412 N N 1.101 119.841 118.700 0.067 0.000 2.806 4412 N HA -0.103 4.634 4.740 -0.005 0.000 0.248 4412 N C -2.472 173.122 175.510 0.141 0.000 1.081 4412 N CA 0.187 53.299 53.050 0.104 0.000 0.680 4412 N CB -1.180 37.394 38.487 0.145 0.000 0.941 4412 N HN 0.442 nan 8.380 nan 0.000 0.554 4413 P HA 0.247 nan 4.420 nan 0.000 0.272 4413 P C -0.161 177.135 177.300 -0.006 0.000 1.223 4413 P CA 0.306 63.307 63.100 -0.165 0.000 0.784 4413 P CB 1.031 32.593 31.700 -0.229 0.000 0.923 4414 K N 1.831 122.249 120.400 0.029 0.000 2.535 4414 K HA 0.233 4.550 4.320 -0.005 0.000 0.251 4414 K C -0.666 175.966 176.600 0.055 0.000 0.942 4414 K CA -0.524 55.812 56.287 0.082 0.000 0.798 4414 K CB 0.575 33.175 32.500 0.167 0.000 1.267 4414 K HN 0.356 nan 8.250 nan 0.000 0.434 4415 N N 2.828 121.539 118.700 0.019 0.000 2.650 4415 N HA -0.225 4.512 4.740 -0.005 0.000 0.272 4415 N C -1.187 174.319 175.510 -0.006 0.000 1.058 4415 N CA 0.767 53.824 53.050 0.011 0.000 0.765 4415 N CB -0.766 37.742 38.487 0.034 0.000 0.902 4415 N HN 0.344 nan 8.380 nan 0.000 0.551 4416 L N 0.520 121.716 121.223 -0.045 0.000 2.332 4416 L HA 0.547 4.884 4.340 -0.005 0.000 0.269 4416 L C 0.784 177.629 176.870 -0.042 0.000 1.016 4416 L CA -0.151 54.650 54.840 -0.067 0.000 0.809 4416 L CB 1.800 43.783 42.059 -0.125 0.000 1.280 4416 L HN 0.161 nan 8.230 nan 0.000 0.447 4417 T N 1.468 116.001 114.554 -0.035 0.000 2.824 4417 T HA 0.805 5.152 4.350 -0.005 0.000 0.282 4417 T C -0.656 174.032 174.700 -0.020 0.000 0.993 4417 T CA -0.548 61.540 62.100 -0.021 0.000 0.967 4417 T CB 1.602 70.464 68.868 -0.009 0.000 0.960 4417 T HN 0.684 nan 8.240 nan 0.000 0.441 4418 A N 3.102 125.913 122.820 -0.015 0.000 2.325 4418 A HA 0.814 5.131 4.320 -0.005 0.000 0.333 4418 A C -0.137 177.447 177.584 -0.001 0.000 1.155 4418 A CA -0.781 51.252 52.037 -0.007 0.000 0.814 4418 A CB 0.550 19.547 19.000 -0.004 0.000 1.206 4418 A HN 0.942 nan 8.150 nan 0.000 0.482 4419 I N 0.877 121.448 120.570 0.003 0.000 2.823 4419 I HA 0.234 4.401 4.170 -0.005 0.000 0.290 4419 I C 0.590 176.711 176.117 0.006 0.000 1.091 4419 I CA -0.338 60.965 61.300 0.005 0.000 1.365 4419 I CB 0.723 38.728 38.000 0.008 0.000 1.427 4419 I HN 0.704 nan 8.210 nan 0.000 0.583 4420 K N 7.086 127.490 120.400 0.006 0.000 2.172 4420 K HA 0.365 4.682 4.320 -0.005 0.000 0.276 4420 K C -1.034 175.569 176.600 0.006 0.000 1.013 4420 K CA -0.562 55.728 56.287 0.005 0.000 0.913 4420 K CB 1.034 33.537 32.500 0.005 0.000 1.055 4420 K HN 0.622 nan 8.250 nan 0.000 0.461 4421 M N 3.336 122.938 119.600 0.004 0.000 2.188 4421 M HA 0.265 4.742 4.480 -0.005 0.000 0.357 4421 M C -0.142 176.159 176.300 0.002 0.000 1.204 4421 M CA -0.440 54.861 55.300 0.003 0.000 1.095 4421 M CB 1.713 34.313 32.600 -0.000 0.000 1.604 4421 M HN 0.777 nan 8.290 nan 0.000 0.464 4422 A N 1.833 124.654 122.820 0.003 0.000 2.242 4422 A HA 0.345 4.662 4.320 -0.005 0.000 0.304 4422 A C -0.573 177.010 177.584 -0.001 0.000 1.100 4422 A CA -0.577 51.461 52.037 0.003 0.000 0.860 4422 A CB 0.500 19.504 19.000 0.006 0.000 1.168 4422 A HN 0.713 nan 8.150 nan 0.000 0.503 4423 D N 0.241 120.640 120.400 -0.002 0.000 2.393 4423 D HA 0.294 4.931 4.640 -0.005 0.000 0.232 4423 D C 1.034 177.330 176.300 -0.007 0.000 1.192 4423 D CA 0.301 54.297 54.000 -0.005 0.000 0.882 4423 D CB 0.385 41.182 40.800 -0.005 0.000 1.038 4423 D HN 0.272 nan 8.370 nan 0.000 0.499 4424 S N 2.750 118.444 115.700 -0.009 0.000 2.392 4424 S HA -0.208 4.260 4.470 -0.005 0.000 0.232 4424 S C 1.200 175.792 174.600 -0.013 0.000 1.041 4424 S CA 1.127 59.321 58.200 -0.011 0.000 1.026 4424 S CB -0.051 63.139 63.200 -0.017 0.000 0.845 4424 S HN 0.601 nan 8.310 nan 0.000 0.465 4425 D N 1.345 121.737 120.400 -0.013 0.000 2.311 4425 D HA -0.014 4.623 4.640 -0.005 0.000 0.212 4425 D C 1.527 177.820 176.300 -0.012 0.000 0.972 4425 D CA 0.949 54.941 54.000 -0.013 0.000 0.887 4425 D CB -0.210 40.583 40.800 -0.012 0.000 0.915 4425 D HN 0.477 nan 8.370 nan 0.000 0.497 4426 A N 0.072 122.886 122.820 -0.010 0.000 2.337 4426 A HA 0.175 4.492 4.320 -0.005 0.000 0.227 4426 A C 0.916 178.492 177.584 -0.013 0.000 1.259 4426 A CA -0.240 51.791 52.037 -0.010 0.000 0.870 4426 A CB -0.151 18.845 19.000 -0.007 0.000 0.927 4426 A HN 0.111 nan 8.150 nan 0.000 0.497 4427 L N 0.640 121.855 121.223 -0.014 0.000 2.417 4427 L HA 0.341 4.679 4.340 -0.005 0.000 0.268 4427 L C 0.461 177.315 176.870 -0.026 0.000 1.158 4427 L CA 0.031 54.860 54.840 -0.019 0.000 0.819 4427 L CB 0.626 42.674 42.059 -0.018 0.000 1.112 4427 L HN 0.343 nan 8.230 nan 0.000 0.458 4428 R N 1.363 121.842 120.500 -0.036 0.000 2.725 4428 R HA 0.280 4.617 4.340 -0.005 0.000 0.277 4428 R C 0.632 176.895 176.300 -0.061 0.000 0.987 4428 R CA -0.848 55.225 56.100 -0.044 0.000 0.901 4428 R CB 2.066 32.339 30.300 -0.044 0.000 1.207 4428 R HN 0.314 nan 8.270 nan 0.000 0.463 4429 V N 1.216 121.093 119.914 -0.061 0.000 2.282 4429 V HA -0.229 3.888 4.120 -0.005 0.000 0.249 4429 V C 1.962 177.991 176.094 -0.107 0.000 1.057 4429 V CA 2.593 64.849 62.300 -0.073 0.000 1.032 4429 V CB -0.482 31.305 31.823 -0.060 0.000 0.645 4429 V HN 1.085 nan 8.190 nan 0.000 0.447 4430 G N -0.688 108.037 108.800 -0.126 0.000 2.776 4430 G HA2 -0.075 3.882 3.960 -0.005 0.000 0.209 4430 G HA3 -0.075 3.882 3.960 -0.005 0.000 0.209 4430 G C 0.236 174.943 174.900 -0.322 0.000 1.145 4430 G CA -0.085 44.896 45.100 -0.199 0.000 0.791 4430 G HN 0.456 nan 8.290 nan 0.000 0.530 4431 D N -0.054 120.211 120.400 -0.224 0.000 2.443 4431 D HA 0.116 4.753 4.640 -0.005 0.000 0.239 4431 D C -0.033 176.126 176.300 -0.236 0.000 1.136 4431 D CA 0.144 54.013 54.000 -0.219 0.000 0.879 4431 D CB 0.565 41.312 40.800 -0.089 0.000 1.195 4431 D HN 0.256 nan 8.370 nan 0.000 0.443 4432 Y N 0.489 120.788 120.300 -0.003 0.000 2.346 4432 Y HA 0.221 4.768 4.550 -0.005 0.000 0.330 4432 Y C 1.304 177.204 175.900 -0.000 0.000 1.178 4432 Y CA 0.253 58.352 58.100 -0.001 0.000 1.331 4432 Y CB 1.071 39.531 38.460 0.001 0.000 1.253 4432 Y HN 0.078 nan 8.280 nan 0.000 0.529 4433 T N 2.849 117.524 114.554 0.202 0.000 2.900 4433 T HA 0.520 4.867 4.350 -0.005 0.000 0.295 4433 T C -1.698 173.054 174.700 0.087 0.000 1.044 4433 T CA -0.663 61.501 62.100 0.106 0.000 0.995 4433 T CB 1.591 70.498 68.868 0.065 0.000 1.072 4433 T HN 0.395 nan 8.240 nan 0.000 0.473 4434 V N 2.505 122.454 119.914 0.059 0.000 2.623 4434 V HA 0.874 4.991 4.120 -0.005 0.000 0.304 4434 V C -0.834 175.282 176.094 0.037 0.000 1.054 4434 V CA -0.507 61.819 62.300 0.044 0.000 0.882 4434 V CB 1.251 33.093 31.823 0.032 0.000 1.002 4434 V HN 1.108 nan 8.190 nan 0.000 0.424 4435 A N 7.414 130.255 122.820 0.036 0.000 2.325 4435 A HA 0.936 5.253 4.320 -0.005 0.000 0.333 4435 A C -0.761 176.840 177.584 0.029 0.000 1.155 4435 A CA -0.661 51.396 52.037 0.034 0.000 0.814 4435 A CB 0.978 19.999 19.000 0.035 0.000 1.206 4435 A HN 0.880 nan 8.150 nan 0.000 0.482 4436 I N 1.443 122.029 120.570 0.027 0.000 2.499 4436 I HA 0.669 4.836 4.170 -0.005 0.000 0.288 4436 I C 0.463 176.592 176.117 0.021 0.000 1.048 4436 I CA -0.276 61.038 61.300 0.024 0.000 1.062 4436 I CB 2.316 40.330 38.000 0.023 0.000 1.238 4436 I HN 0.852 nan 8.210 nan 0.000 0.426 4437 G N 3.638 112.448 108.800 0.016 0.000 2.619 4437 G HA2 0.255 4.212 3.960 -0.005 0.000 0.305 4437 G HA3 0.255 4.212 3.960 -0.005 0.000 0.305 4437 G C -1.805 173.095 174.900 0.000 0.000 1.330 4437 G CA -0.708 44.396 45.100 0.007 0.000 0.789 4437 G HN 0.629 nan 8.290 nan 0.000 0.487 4438 N N 0.594 119.287 118.700 -0.013 0.000 2.918 4438 N HA 0.393 5.130 4.740 -0.005 0.000 0.270 4438 N C -1.545 173.919 175.510 -0.076 0.000 1.536 4438 N CA -1.672 51.371 53.050 -0.011 0.000 0.877 4438 N CB 1.610 40.105 38.487 0.013 0.000 1.190 4438 N HN 0.085 nan 8.380 nan 0.000 0.492 4439 P HA -0.186 nan 4.420 nan 0.000 0.216 4439 P C -0.182 176.658 177.300 -0.766 0.000 1.167 4439 P CA 1.699 64.466 63.100 -0.555 0.000 0.933 4439 P CB 0.098 31.412 31.700 -0.643 0.000 0.793 4440 F N -3.900 116.072 119.950 0.037 0.000 2.735 4440 F HA 0.493 5.017 4.527 -0.005 0.000 0.308 4440 F C 1.648 177.470 175.800 0.035 0.000 1.112 4440 F CA 0.313 58.334 58.000 0.035 0.000 1.235 4440 F CB 0.257 39.274 39.000 0.028 0.000 1.027 4440 F HN 0.066 nan 8.300 nan 0.000 0.528 4441 G N 0.895 109.775 108.800 0.133 0.000 2.383 4441 G HA2 -0.347 3.610 3.960 -0.005 0.000 0.229 4441 G HA3 -0.347 3.610 3.960 -0.005 0.000 0.229 4441 G C 1.078 176.041 174.900 0.106 0.000 1.089 4441 G CA 0.280 45.444 45.100 0.106 0.000 0.640 4441 G HN 0.326 nan 8.290 nan 0.000 0.510 4442 L N 1.546 122.855 121.223 0.143 0.000 2.661 4442 L HA 0.363 4.700 4.340 -0.005 0.000 0.236 4442 L C 1.661 178.585 176.870 0.089 0.000 1.176 4442 L CA 1.091 55.998 54.840 0.110 0.000 0.836 4442 L CB -1.281 40.850 42.059 0.120 0.000 0.960 4442 L HN 1.456 nan 8.230 nan 0.000 0.455 4443 G N -0.481 108.368 108.800 0.083 0.000 2.270 4443 G HA2 -0.056 3.901 3.960 -0.005 0.000 0.268 4443 G HA3 -0.056 3.901 3.960 -0.005 0.000 0.268 4443 G C -1.339 173.594 174.900 0.056 0.000 1.312 4443 G CA -0.856 44.282 45.100 0.063 0.000 1.050 4443 G HN -0.025 nan 8.290 nan 0.000 0.474 4444 E N 1.453 121.682 120.200 0.048 0.000 2.035 4444 E HA 0.507 4.854 4.350 -0.005 0.000 0.271 4444 E C -0.382 176.244 176.600 0.043 0.000 0.953 4444 E CA -0.165 56.258 56.400 0.040 0.000 0.777 4444 E CB 1.086 30.807 29.700 0.034 0.000 1.104 4444 E HN 0.504 nan 8.360 nan 0.000 0.408 4445 T N 1.159 115.740 114.554 0.045 0.000 2.829 4445 T HA 0.389 4.736 4.350 -0.005 0.000 0.282 4445 T C 0.155 174.878 174.700 0.038 0.000 0.990 4445 T CA -0.687 61.443 62.100 0.051 0.000 1.028 4445 T CB 1.631 70.540 68.868 0.068 0.000 0.951 4445 T HN 0.254 nan 8.240 nan 0.000 0.460 4446 V N 1.926 121.862 119.914 0.037 0.000 2.628 4446 V HA 0.889 5.006 4.120 -0.005 0.000 0.306 4446 V C -0.463 175.651 176.094 0.034 0.000 1.045 4446 V CA -0.187 62.131 62.300 0.031 0.000 0.905 4446 V CB 1.981 33.819 31.823 0.025 0.000 0.997 4446 V HN 0.925 nan 8.190 nan 0.000 0.436 4447 T N 3.735 118.309 114.554 0.033 0.000 2.909 4447 T HA 0.712 5.059 4.350 -0.005 0.000 0.299 4447 T C -0.461 174.259 174.700 0.033 0.000 1.073 4447 T CA 0.216 62.337 62.100 0.036 0.000 0.999 4447 T CB 1.635 70.528 68.868 0.041 0.000 1.098 4447 T HN 1.554 nan 8.240 nan 0.000 0.477 4448 S N 2.033 117.752 115.700 0.033 0.000 2.726 4448 S HA 1.033 5.500 4.470 -0.005 0.000 0.308 4448 S C 0.272 174.906 174.600 0.057 0.000 1.115 4448 S CA 0.225 58.448 58.200 0.038 0.000 0.965 4448 S CB 1.699 64.908 63.200 0.014 0.000 1.145 4448 S HN 1.431 nan 8.310 nan 0.000 0.532 4449 G N 0.230 109.085 108.800 0.091 0.000 2.512 4449 G HA2 0.402 4.359 3.960 -0.005 0.000 0.181 4449 G HA3 0.402 4.359 3.960 -0.005 0.000 0.181 4449 G C -1.295 173.715 174.900 0.183 0.000 1.173 4449 G CA -0.191 44.981 45.100 0.119 0.000 0.988 4449 G HN 1.699 nan 8.290 nan 0.000 0.485 4450 I N -2.454 118.173 120.570 0.094 0.000 3.279 4450 I HA 0.785 4.952 4.170 -0.005 0.000 0.315 4450 I C -0.761 175.345 176.117 -0.018 0.000 1.225 4450 I CA -1.425 59.892 61.300 0.028 0.000 0.947 4450 I CB 1.931 39.896 38.000 -0.059 0.000 1.293 4450 I HN 0.379 nan 8.210 nan 0.000 0.468 4451 V N 2.998 122.880 119.914 -0.053 0.000 2.397 4451 V HA 0.094 4.211 4.120 -0.005 0.000 0.262 4451 V C 1.077 177.131 176.094 -0.067 0.000 1.047 4451 V CA 0.471 62.738 62.300 -0.056 0.000 1.003 4451 V CB 0.362 32.150 31.823 -0.059 0.000 1.037 4451 V HN 0.892 nan 8.190 nan 0.000 0.480 4452 S N 3.499 119.155 115.700 -0.072 0.000 2.406 4452 S HA 0.312 4.779 4.470 -0.005 0.000 0.224 4452 S C 0.699 175.253 174.600 -0.078 0.000 1.030 4452 S CA 0.837 58.991 58.200 -0.075 0.000 0.958 4452 S CB 0.263 63.411 63.200 -0.086 0.000 0.811 4452 S HN 0.958 nan 8.310 nan 0.000 0.489 4453 A N 0.597 123.362 122.820 -0.092 0.000 2.513 4453 A HA 0.638 4.955 4.320 -0.005 0.000 0.296 4453 A C -1.444 176.099 177.584 -0.069 0.000 1.052 4453 A CA -0.472 51.518 52.037 -0.079 0.000 0.714 4453 A CB 0.935 19.874 19.000 -0.102 0.000 1.279 4453 A HN 0.131 nan 8.150 nan 0.000 0.397 4454 L N 3.475 124.674 121.223 -0.041 0.000 2.956 4454 L HA 0.418 4.755 4.340 -0.005 0.000 0.232 4454 L C 1.602 178.471 176.870 -0.003 0.000 1.291 4454 L CA 1.165 55.990 54.840 -0.024 0.000 1.122 4454 L CB -0.684 41.361 42.059 -0.023 0.000 1.461 4454 L HN 1.353 nan 8.230 nan 0.000 0.470 4455 G N 1.569 110.376 108.800 0.011 0.000 2.999 4455 G HA2 -0.479 3.478 3.960 -0.005 0.000 0.335 4455 G HA3 -0.479 3.478 3.960 -0.005 0.000 0.335 4455 G C 0.977 175.895 174.900 0.030 0.000 1.346 4455 G CA 1.084 46.212 45.100 0.046 0.000 1.351 4455 G HN 0.594 nan 8.290 nan 0.000 0.902 4456 R N -0.098 120.415 120.500 0.023 0.000 3.418 4456 R HA -0.124 4.213 4.340 -0.005 0.000 0.274 4456 R C 0.625 176.935 176.300 0.018 0.000 1.108 4456 R CA 1.320 57.427 56.100 0.012 0.000 0.741 4456 R CB -1.985 28.318 30.300 0.004 0.000 1.223 4456 R HN 1.026 nan 8.270 nan 0.000 0.434 4457 E N -0.329 119.911 120.200 0.066 0.000 2.481 4457 E HA -0.139 4.208 4.350 -0.005 0.000 0.263 4457 E C 0.134 176.742 176.600 0.014 0.000 0.992 4457 E CA 0.057 56.452 56.400 -0.007 0.000 0.938 4457 E CB 0.317 29.954 29.700 -0.106 0.000 0.933 4457 E HN 0.280 nan 8.360 nan 0.000 0.453 4458 N N 2.765 121.445 118.700 -0.033 0.000 3.063 4458 N HA -0.059 4.678 4.740 -0.005 0.000 0.327 4458 N C -1.099 174.413 175.510 0.003 0.000 1.225 4458 N CA -0.023 53.024 53.050 -0.005 0.000 1.184 4458 N CB -1.238 37.233 38.487 -0.025 0.000 1.438 4458 N HN 0.349 nan 8.380 nan 0.000 0.555 4459 F N 0.720 120.689 119.950 0.032 0.000 2.572 4459 F HA 0.099 4.623 4.527 -0.005 0.000 0.370 4459 F C 1.231 177.014 175.800 -0.028 0.000 1.103 4459 F CA -0.073 57.956 58.000 0.049 0.000 1.286 4459 F CB 0.496 39.587 39.000 0.152 0.000 1.105 4459 F HN 0.102 nan 8.300 nan 0.000 0.583 4460 I N 3.664 124.334 120.570 0.167 0.000 2.440 4460 I HA 0.185 4.352 4.170 -0.005 0.000 0.294 4460 I C -0.249 175.808 176.117 -0.101 0.000 0.995 4460 I CA -0.516 60.797 61.300 0.022 0.000 1.306 4460 I CB 1.430 39.439 38.000 0.017 0.000 1.407 4460 I HN 0.513 nan 8.210 nan 0.000 0.501 4461 Q N 3.449 123.128 119.800 -0.201 0.000 2.316 4461 Q HA 0.491 4.828 4.340 -0.005 0.000 0.264 4461 Q C -0.858 175.025 176.000 -0.196 0.000 0.987 4461 Q CA -0.350 55.229 55.803 -0.374 0.000 0.852 4461 Q CB 2.279 30.763 28.738 -0.424 0.000 1.287 4461 Q HN 0.658 nan 8.270 nan 0.000 0.448 4462 T N 0.519 114.975 114.554 -0.163 0.000 2.894 4462 T HA 0.179 4.526 4.350 -0.005 0.000 0.309 4462 T C -0.631 174.045 174.700 -0.039 0.000 1.208 4462 T CA -0.681 61.376 62.100 -0.071 0.000 1.016 4462 T CB 0.944 69.796 68.868 -0.028 0.000 1.192 4462 T HN 0.709 nan 8.240 nan 0.000 0.491 4463 D N 1.811 122.204 120.400 -0.013 0.000 2.328 4463 D HA 0.229 4.867 4.640 -0.005 0.000 0.226 4463 D C 0.795 177.111 176.300 0.027 0.000 1.066 4463 D CA -0.165 53.840 54.000 0.008 0.000 0.861 4463 D CB -0.101 40.706 40.800 0.013 0.000 0.912 4463 D HN 0.513 nan 8.370 nan 0.000 0.521 4464 A N 0.148 122.985 122.820 0.029 0.000 3.004 4464 A HA 0.653 4.970 4.320 -0.005 0.000 0.286 4464 A C 0.532 178.139 177.584 0.038 0.000 1.632 4464 A CA -0.115 51.945 52.037 0.038 0.000 1.339 4464 A CB -0.515 18.511 19.000 0.043 0.000 1.136 4464 A HN 0.354 nan 8.150 nan 0.000 0.577 4465 A N 1.405 124.249 122.820 0.040 0.000 3.907 4465 A HA 0.946 5.263 4.320 -0.005 0.000 0.166 4465 A C -0.775 176.830 177.584 0.036 0.000 0.948 4465 A CA -0.312 51.750 52.037 0.041 0.000 1.077 4465 A CB 0.421 19.451 19.000 0.051 0.000 1.553 4465 A HN 1.054 nan 8.150 nan 0.000 0.740 4466 I N -1.238 119.353 120.570 0.035 0.000 2.731 4466 I HA 0.250 4.417 4.170 -0.005 0.000 0.286 4466 I C -0.966 175.190 176.117 0.065 0.000 1.421 4466 I CA -0.855 60.473 61.300 0.047 0.000 1.071 4466 I CB 0.969 38.965 38.000 -0.007 0.000 1.375 4466 I HN 0.414 nan 8.210 nan 0.000 0.425 4467 N N 5.800 124.564 118.700 0.107 0.000 2.429 4467 N HA 0.192 4.929 4.740 -0.005 0.000 0.271 4467 N C 0.664 176.271 175.510 0.161 0.000 1.272 4467 N CA 0.623 53.739 53.050 0.110 0.000 0.921 4467 N CB 0.205 38.752 38.487 0.099 0.000 1.128 4467 N HN 0.671 nan 8.380 nan 0.000 0.481 4468 R N 0.100 120.666 120.500 0.109 0.000 3.840 4468 R HA -0.135 4.202 4.340 -0.005 0.000 0.464 4468 R C 0.590 176.956 176.300 0.109 0.000 0.986 4468 R CA 1.110 57.285 56.100 0.125 0.000 1.305 4468 R CB -2.080 28.324 30.300 0.174 0.000 1.950 4468 R HN 0.604 nan 8.270 nan 0.000 0.526 4469 G N 0.389 109.177 108.800 -0.021 0.000 2.502 4469 G HA2 0.434 4.391 3.960 -0.005 0.000 0.305 4469 G HA3 0.434 4.391 3.960 -0.005 0.000 0.305 4469 G C -0.204 174.578 174.900 -0.197 0.000 1.190 4469 G CA -0.592 44.318 45.100 -0.318 0.000 0.933 4469 G HN 0.034 nan 8.290 nan 0.000 0.503 4470 N N 0.306 118.871 118.700 -0.224 0.000 2.497 4470 N HA 0.336 5.074 4.740 -0.005 0.000 0.271 4470 N C 0.755 176.234 175.510 -0.052 0.000 1.142 4470 N CA 0.193 53.186 53.050 -0.096 0.000 0.965 4470 N CB 1.197 39.662 38.487 -0.037 0.000 1.077 4470 N HN 0.732 nan 8.380 nan 0.000 0.462 4471 S N 1.066 116.760 115.700 -0.009 0.000 2.973 4471 S HA 0.166 4.633 4.470 -0.005 0.000 0.357 4471 S C 1.411 176.071 174.600 0.100 0.000 1.159 4471 S CA 0.127 58.355 58.200 0.046 0.000 1.423 4471 S CB -0.667 62.560 63.200 0.045 0.000 1.115 4471 S HN 0.598 nan 8.310 nan 0.000 0.563 4472 G N 2.406 111.233 108.800 0.044 0.000 2.355 4472 G HA2 0.429 4.386 3.960 -0.005 0.000 0.175 4472 G HA3 0.429 4.386 3.960 -0.005 0.000 0.175 4472 G C 1.050 175.983 174.900 0.055 0.000 1.624 4472 G CA 0.823 45.944 45.100 0.035 0.000 1.021 4472 G HN 1.179 nan 8.290 nan 0.000 0.465 4473 G N -0.912 107.912 108.800 0.041 0.000 2.509 4473 G HA2 0.508 4.465 3.960 -0.005 0.000 0.168 4473 G HA3 0.508 4.465 3.960 -0.005 0.000 0.168 4473 G C 0.392 175.317 174.900 0.042 0.000 1.415 4473 G CA 0.833 45.958 45.100 0.041 0.000 0.686 4473 G HN 1.119 nan 8.290 nan 0.000 0.677 4474 A N 0.485 123.324 122.820 0.032 0.000 2.363 4474 A HA 0.682 4.999 4.320 -0.005 0.000 0.270 4474 A C -0.622 176.982 177.584 0.034 0.000 1.121 4474 A CA -0.110 51.946 52.037 0.031 0.000 0.800 4474 A CB 0.502 19.516 19.000 0.024 0.000 1.052 4474 A HN 0.453 nan 8.150 nan 0.000 0.493 4475 L N 4.042 125.286 121.223 0.035 0.000 2.349 4475 L HA 0.594 4.931 4.340 -0.005 0.000 0.278 4475 L C -1.238 175.650 176.870 0.030 0.000 0.996 4475 L CA -0.446 54.415 54.840 0.036 0.000 0.825 4475 L CB 1.528 43.611 42.059 0.040 0.000 1.243 4475 L HN 0.516 nan 8.230 nan 0.000 0.412 4476 V N 4.250 124.182 119.914 0.031 0.000 2.823 4476 V HA 0.393 4.510 4.120 -0.005 0.000 0.312 4476 V C -0.255 175.860 176.094 0.036 0.000 1.072 4476 V CA -0.798 61.519 62.300 0.029 0.000 0.937 4476 V CB 2.544 34.382 31.823 0.025 0.000 1.013 4476 V HN 0.945 nan 8.190 nan 0.000 0.430 4477 N N 3.386 122.107 118.700 0.035 0.000 2.418 4477 N HA 0.217 4.954 4.740 -0.005 0.000 0.283 4477 N C 0.463 176.002 175.510 0.048 0.000 1.267 4477 N CA -0.555 52.523 53.050 0.047 0.000 0.975 4477 N CB 0.293 38.804 38.487 0.040 0.000 1.167 4477 N HN 0.319 nan 8.380 nan 0.000 0.581 4478 L N -0.719 120.542 121.223 0.063 0.000 2.549 4478 L HA 0.067 4.404 4.340 -0.005 0.000 0.229 4478 L C 0.868 177.756 176.870 0.030 0.000 1.158 4478 L CA 1.098 55.967 54.840 0.048 0.000 0.842 4478 L CB -1.383 40.717 42.059 0.069 0.000 0.952 4478 L HN 0.559 nan 8.230 nan 0.000 0.452 4479 N N -0.591 118.127 118.700 0.029 0.000 2.236 4479 N HA 0.147 4.884 4.740 -0.005 0.000 0.196 4479 N C 1.325 176.845 175.510 0.016 0.000 1.114 4479 N CA 0.792 53.854 53.050 0.020 0.000 0.859 4479 N CB 0.595 39.094 38.487 0.019 0.000 0.982 4479 N HN 0.253 nan 8.380 nan 0.000 0.493 4480 G N 0.712 109.523 108.800 0.018 0.000 2.143 4480 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.249 4480 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.249 4480 G C -0.245 174.664 174.900 0.015 0.000 0.981 4480 G CA -0.010 45.099 45.100 0.015 0.000 0.665 4480 G HN 0.421 nan 8.290 nan 0.000 0.528 4481 E N -0.540 119.670 120.200 0.016 0.000 2.231 4481 E HA 0.552 4.900 4.350 -0.005 0.000 0.277 4481 E C 0.049 176.658 176.600 0.014 0.000 0.999 4481 E CA -1.081 55.327 56.400 0.013 0.000 0.827 4481 E CB 1.902 31.609 29.700 0.012 0.000 1.101 4481 E HN 0.183 nan 8.360 nan 0.000 0.393 4482 L N 4.300 125.530 121.223 0.012 0.000 2.418 4482 L HA 0.071 4.408 4.340 -0.005 0.000 0.274 4482 L C 0.477 177.354 176.870 0.011 0.000 1.135 4482 L CA 0.661 55.508 54.840 0.013 0.000 0.870 4482 L CB 0.194 42.259 42.059 0.010 0.000 1.154 4482 L HN 0.672 nan 8.230 nan 0.000 0.462 4483 I N 1.450 122.029 120.570 0.014 0.000 4.187 4483 I HA 0.614 4.781 4.170 -0.005 0.000 0.326 4483 I C 0.608 176.732 176.117 0.012 0.000 1.302 4483 I CA 0.226 61.533 61.300 0.011 0.000 1.196 4483 I CB 0.362 38.369 38.000 0.013 0.000 1.095 4483 I HN 0.624 nan 8.210 nan 0.000 0.411 4484 G N 1.456 110.267 108.800 0.019 0.000 2.519 4484 G HA2 0.533 4.490 3.960 -0.005 0.000 0.292 4484 G HA3 0.533 4.490 3.960 -0.005 0.000 0.292 4484 G C -2.144 172.779 174.900 0.037 0.000 1.507 4484 G CA -0.467 44.648 45.100 0.026 0.000 0.806 4484 G HN -0.024 nan 8.290 nan 0.000 0.523 4485 I N 1.039 121.637 120.570 0.047 0.000 2.362 4485 I HA 0.304 4.471 4.170 -0.005 0.000 0.289 4485 I C 0.140 176.315 176.117 0.096 0.000 0.994 4485 I CA -1.035 60.299 61.300 0.057 0.000 1.158 4485 I CB 1.393 39.420 38.000 0.044 0.000 1.315 4485 I HN 0.448 nan 8.210 nan 0.000 0.451 4486 N N 3.341 122.100 118.700 0.099 0.000 2.492 4486 N HA 0.315 5.052 4.740 -0.005 0.000 0.262 4486 N C -0.010 175.600 175.510 0.166 0.000 1.202 4486 N CA 0.228 53.358 53.050 0.134 0.000 0.926 4486 N CB 0.655 39.204 38.487 0.103 0.000 1.078 4486 N HN 0.629 nan 8.380 nan 0.000 0.454 4487 T N -0.154 114.526 114.554 0.210 0.000 2.858 4487 T HA 0.763 5.110 4.350 -0.005 0.000 0.285 4487 T C -1.549 173.221 174.700 0.116 0.000 1.052 4487 T CA -0.799 61.432 62.100 0.217 0.000 1.009 4487 T CB 0.969 70.009 68.868 0.286 0.000 1.241 4487 T HN 0.426 nan 8.240 nan 0.000 0.542 4488 A N 2.148 124.981 122.820 0.023 0.000 2.285 4488 A HA 0.593 4.910 4.320 -0.005 0.000 0.310 4488 A C 0.653 178.122 177.584 -0.191 0.000 1.266 4488 A CA -0.786 51.150 52.037 -0.169 0.000 0.832 4488 A CB -0.244 18.483 19.000 -0.456 0.000 1.163 4488 A HN 0.891 nan 8.150 nan 0.000 0.499 4489 I N 0.323 120.719 120.570 -0.290 0.000 3.862 4489 I HA 0.382 4.549 4.170 -0.005 0.000 0.328 4489 I C -0.682 175.264 176.117 -0.284 0.000 1.474 4489 I CA 0.319 61.405 61.300 -0.356 0.000 1.215 4489 I CB -0.283 37.307 38.000 -0.683 0.000 1.183 4489 I HN 0.418 nan 8.210 nan 0.000 0.413 4490 L N 2.376 123.466 121.223 -0.222 0.000 2.861 4490 L HA 0.526 4.863 4.340 -0.005 0.000 0.290 4490 L C 0.740 177.521 176.870 -0.148 0.000 1.346 4490 L CA -0.472 54.263 54.840 -0.175 0.000 0.779 4490 L CB 0.884 42.845 42.059 -0.164 0.000 1.143 4490 L HN 0.407 nan 8.230 nan 0.000 0.548 4491 A N 0.863 123.606 122.820 -0.128 0.000 2.561 4491 A HA 0.383 4.700 4.320 -0.005 0.000 0.234 4491 A C -1.651 175.888 177.584 -0.075 0.000 1.055 4491 A CA -0.021 51.958 52.037 -0.097 0.000 0.756 4491 A CB -0.456 18.508 19.000 -0.061 0.000 0.986 4491 A HN 0.574 nan 8.150 nan 0.000 0.505 4492 P HA -0.100 nan 4.420 nan 0.000 0.014 4492 P C -0.246 177.012 177.300 -0.070 0.000 0.569 4492 P CA 1.424 64.488 63.100 -0.060 0.000 1.035 4492 P CB -0.415 31.257 31.700 -0.047 0.000 1.909 4493 D N -1.002 119.339 120.400 -0.098 0.000 3.084 4493 D HA 0.277 4.915 4.640 -0.005 0.000 0.294 4493 D C 0.860 177.078 176.300 -0.137 0.000 1.165 4493 D CA 1.642 55.584 54.000 -0.097 0.000 1.008 4493 D CB 0.759 41.507 40.800 -0.087 0.000 1.266 4493 D HN 0.298 nan 8.370 nan 0.000 0.449 4494 G N -0.014 108.639 108.800 -0.246 0.000 2.767 4494 G HA2 0.377 4.334 3.960 -0.005 0.000 0.686 4494 G HA3 0.377 4.334 3.960 -0.005 0.000 0.686 4494 G C 0.239 175.040 174.900 -0.164 0.000 1.213 4494 G CA -0.316 44.592 45.100 -0.321 0.000 0.803 4494 G HN 0.947 nan 8.290 nan 0.000 0.603 4495 G N 1.397 110.113 108.800 -0.140 0.000 2.592 4495 G HA2 0.457 4.414 3.960 -0.005 0.000 0.685 4495 G HA3 0.457 4.414 3.960 -0.005 0.000 0.685 4495 G C -0.416 174.430 174.900 -0.091 0.000 1.278 4495 G CA 0.259 45.307 45.100 -0.087 0.000 0.822 4495 G HN 2.110 nan 8.290 nan 0.000 0.652 4496 N N 0.618 119.286 118.700 -0.054 0.000 2.485 4496 N HA 0.482 5.219 4.740 -0.005 0.000 0.280 4496 N C 1.326 176.811 175.510 -0.042 0.000 1.205 4496 N CA -0.580 52.442 53.050 -0.046 0.000 0.959 4496 N CB 2.387 40.882 38.487 0.012 0.000 1.206 4496 N HN 0.738 nan 8.380 nan 0.000 0.545 4497 I N -1.839 118.703 120.570 -0.048 0.000 3.226 4497 I HA 0.115 4.282 4.170 -0.005 0.000 0.277 4497 I C 0.796 176.927 176.117 0.024 0.000 1.243 4497 I CA 0.994 62.273 61.300 -0.036 0.000 1.459 4497 I CB -0.207 37.742 38.000 -0.085 0.000 1.093 4497 I HN 0.890 nan 8.210 nan 0.000 0.453 4498 G N 1.316 110.149 108.800 0.056 0.000 3.110 4498 G HA2 -0.024 3.933 3.960 -0.005 0.000 0.205 4498 G HA3 -0.024 3.933 3.960 -0.005 0.000 0.205 4498 G C -0.029 174.917 174.900 0.077 0.000 1.019 4498 G CA 0.053 45.189 45.100 0.059 0.000 0.826 4498 G HN 0.305 nan 8.290 nan 0.000 0.481 4499 I N 0.644 121.290 120.570 0.128 0.000 3.264 4499 I HA 0.722 4.889 4.170 -0.005 0.000 0.315 4499 I C -0.008 176.221 176.117 0.187 0.000 1.154 4499 I CA -0.880 60.486 61.300 0.109 0.000 0.962 4499 I CB 2.130 40.163 38.000 0.054 0.000 1.265 4499 I HN 0.161 nan 8.210 nan 0.000 0.463 4500 G N 2.271 111.123 108.800 0.087 0.000 2.356 4500 G HA2 0.591 4.548 3.960 -0.005 0.000 0.322 4500 G HA3 0.591 4.548 3.960 -0.005 0.000 0.322 4500 G C -1.637 173.283 174.900 0.032 0.000 1.125 4500 G CA -0.202 44.983 45.100 0.143 0.000 0.885 4500 G HN 0.256 nan 8.290 nan 0.000 0.467 4501 F N 1.276 121.225 119.950 -0.002 0.000 2.402 4501 F HA 0.656 5.181 4.527 -0.004 0.000 0.355 4501 F C 0.561 176.460 175.800 0.164 0.000 1.123 4501 F CA -0.904 57.114 58.000 0.030 0.000 1.021 4501 F CB 2.128 41.029 39.000 -0.165 0.000 1.160 4501 F HN 0.623 nan 8.300 nan 0.000 0.451 4502 A N 4.160 127.169 122.820 0.315 0.000 2.374 4502 A HA 0.808 5.125 4.320 -0.005 0.000 0.317 4502 A C -0.684 177.050 177.584 0.251 0.000 1.094 4502 A CA -0.731 51.465 52.037 0.266 0.000 0.765 4502 A CB 0.992 20.071 19.000 0.132 0.000 1.268 4502 A HN 0.543 nan 8.150 nan 0.000 0.438 4503 I N 2.762 123.415 120.570 0.138 0.000 2.529 4503 I HA 0.239 4.406 4.170 -0.005 0.000 0.284 4503 I C -2.007 174.097 176.117 -0.022 0.000 1.082 4503 I CA -1.838 59.438 61.300 -0.041 0.000 1.406 4503 I CB 0.671 38.634 38.000 -0.063 0.000 1.405 4503 I HN 0.406 nan 8.210 nan 0.000 0.548 4504 P HA 0.067 nan 4.420 nan 0.000 0.271 4504 P C 0.817 178.100 177.300 -0.028 0.000 1.218 4504 P CA -0.181 62.900 63.100 -0.031 0.000 0.780 4504 P CB 0.692 32.368 31.700 -0.040 0.000 0.901 4505 S N 2.441 118.132 115.700 -0.014 0.000 2.380 4505 S HA -0.287 4.180 4.470 -0.005 0.000 0.229 4505 S C 1.487 176.075 174.600 -0.020 0.000 1.043 4505 S CA 1.816 60.008 58.200 -0.012 0.000 1.038 4505 S CB -1.538 61.660 63.200 -0.005 0.000 0.872 4505 S HN 0.512 nan 8.310 nan 0.000 0.456 4506 N N 0.644 119.330 118.700 -0.023 0.000 2.166 4506 N HA -0.072 4.665 4.740 -0.005 0.000 0.186 4506 N C 1.794 177.284 175.510 -0.033 0.000 1.019 4506 N CA 1.515 54.550 53.050 -0.025 0.000 0.856 4506 N CB -0.246 38.227 38.487 -0.023 0.000 0.993 4506 N HN 0.401 nan 8.380 nan 0.000 0.426 4507 M N 0.905 120.478 119.600 -0.045 0.000 2.200 4507 M HA -0.027 4.450 4.480 -0.005 0.000 0.265 4507 M C 1.667 177.937 176.300 -0.050 0.000 1.066 4507 M CA 1.184 56.450 55.300 -0.057 0.000 1.127 4507 M CB -0.084 32.463 32.600 -0.089 0.000 1.379 4507 M HN -0.125 nan 8.290 nan 0.000 0.420 4508 V N 0.549 120.437 119.914 -0.043 0.000 2.343 4508 V HA -0.295 3.822 4.120 -0.005 0.000 0.247 4508 V C 2.439 178.511 176.094 -0.036 0.000 1.051 4508 V CA 2.232 64.511 62.300 -0.035 0.000 1.036 4508 V CB -1.212 30.597 31.823 -0.023 0.000 0.654 4508 V HN 0.578 nan 8.190 nan 0.000 0.451 4509 K N 0.777 121.158 120.400 -0.032 0.000 2.032 4509 K HA -0.292 4.025 4.320 -0.005 0.000 0.209 4509 K C 2.077 178.654 176.600 -0.037 0.000 1.048 4509 K CA 2.330 58.598 56.287 -0.032 0.000 0.927 4509 K CB -0.314 32.172 32.500 -0.024 0.000 0.712 4509 K HN 0.514 nan 8.250 nan 0.000 0.441 4510 N N 0.300 118.981 118.700 -0.032 0.000 2.084 4510 N HA -0.149 4.589 4.740 -0.005 0.000 0.190 4510 N C 1.882 177.378 175.510 -0.023 0.000 1.030 4510 N CA 1.394 54.429 53.050 -0.025 0.000 0.849 4510 N CB -0.087 38.388 38.487 -0.021 0.000 1.012 4510 N HN 0.172 nan 8.380 nan 0.000 0.423 4511 L N -0.809 120.396 121.223 -0.030 0.000 2.141 4511 L HA -0.095 4.242 4.340 -0.005 0.000 0.209 4511 L C 2.429 179.276 176.870 -0.039 0.000 1.094 4511 L CA 1.093 55.918 54.840 -0.026 0.000 0.763 4511 L CB -0.691 41.348 42.059 -0.033 0.000 0.908 4511 L HN 0.277 nan 8.230 nan 0.000 0.437 4512 T N -1.173 113.346 114.554 -0.059 0.000 2.777 4512 T HA -0.143 4.204 4.350 -0.005 0.000 0.266 4512 T C 2.114 176.736 174.700 -0.131 0.000 1.040 4512 T CA 1.691 63.734 62.100 -0.096 0.000 1.141 4512 T CB 0.019 68.831 68.868 -0.093 0.000 0.868 4512 T HN 0.302 nan 8.240 nan 0.000 0.444 4513 S N 1.221 116.857 115.700 -0.107 0.000 2.382 4513 S HA -0.120 4.348 4.470 -0.005 0.000 0.228 4513 S C 2.111 176.624 174.600 -0.145 0.000 1.027 4513 S CA 1.032 59.153 58.200 -0.131 0.000 0.991 4513 S CB -0.318 62.825 63.200 -0.095 0.000 0.823 4513 S HN 0.571 nan 8.310 nan 0.000 0.469 4514 Q N 0.668 120.432 119.800 -0.059 0.000 2.061 4514 Q HA -0.086 4.252 4.340 -0.005 0.000 0.204 4514 Q C 2.300 178.303 176.000 0.005 0.000 0.984 4514 Q CA 1.439 57.265 55.803 0.038 0.000 0.846 4514 Q CB -0.357 28.472 28.738 0.152 0.000 0.902 4514 Q HN 0.593 nan 8.270 nan 0.000 0.421 4515 M N -0.272 119.305 119.600 -0.038 0.000 2.108 4515 M HA -0.181 4.296 4.480 -0.005 0.000 0.261 4515 M C 2.249 178.487 176.300 -0.103 0.000 1.066 4515 M CA 1.174 56.443 55.300 -0.051 0.000 1.107 4515 M CB -0.599 31.953 32.600 -0.081 0.000 1.356 4515 M HN 0.060 nan 8.290 nan 0.000 0.406 4516 V N 1.138 120.938 119.914 -0.189 0.000 2.216 4516 V HA -0.249 3.868 4.120 -0.005 0.000 0.243 4516 V C 1.756 177.746 176.094 -0.173 0.000 1.044 4516 V CA 2.115 64.288 62.300 -0.213 0.000 0.995 4516 V CB -0.720 30.938 31.823 -0.275 0.000 0.633 4516 V HN 0.507 nan 8.190 nan 0.000 0.446 4517 E N -1.867 118.160 120.200 -0.289 0.000 2.485 4517 E HA -0.031 4.316 4.350 -0.005 0.000 0.194 4517 E C 0.706 176.948 176.600 -0.597 0.000 1.098 4517 E CA 0.628 56.760 56.400 -0.448 0.000 0.878 4517 E CB -0.017 29.309 29.700 -0.622 0.000 0.939 4517 E HN 0.832 nan 8.360 nan 0.000 0.503 4518 Y N -2.521 117.764 120.300 -0.024 0.000 2.463 4518 Y HA 0.229 4.776 4.550 -0.005 0.000 0.288 4518 Y C 1.651 177.540 175.900 -0.018 0.000 1.041 4518 Y CA -0.289 57.800 58.100 -0.019 0.000 1.054 4518 Y CB 1.460 39.907 38.460 -0.022 0.000 1.380 4518 Y HN 0.130 nan 8.280 nan 0.000 0.581 4519 G N 0.998 109.862 108.800 0.106 0.000 2.284 4519 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.216 4519 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.216 4519 G C 0.029 174.959 174.900 0.049 0.000 1.009 4519 G CA 0.239 45.375 45.100 0.059 0.000 0.625 4519 G HN 0.420 nan 8.290 nan 0.000 0.501 4520 Q N -0.855 118.995 119.800 0.084 0.000 2.738 4520 Q HA 0.622 4.959 4.340 -0.005 0.000 0.301 4520 Q C -0.543 175.505 176.000 0.081 0.000 0.901 4520 Q CA -0.557 55.278 55.803 0.053 0.000 0.756 4520 Q CB 1.781 30.535 28.738 0.026 0.000 1.463 4520 Q HN 1.179 nan 8.270 nan 0.000 0.432 4521 V N -0.545 119.394 119.914 0.041 0.000 2.498 4521 V HA 0.465 4.582 4.120 -0.005 0.000 0.279 4521 V C -0.179 175.913 176.094 -0.003 0.000 1.048 4521 V CA -0.795 61.528 62.300 0.038 0.000 0.967 4521 V CB 0.827 32.658 31.823 0.015 0.000 0.988 4521 V HN 0.674 nan 8.190 nan 0.000 0.473 4522 K N 4.821 125.205 120.400 -0.027 0.000 2.081 4522 K HA 0.190 4.507 4.320 -0.005 0.000 0.230 4522 K C 0.374 176.940 176.600 -0.057 0.000 1.199 4522 K CA 0.336 56.572 56.287 -0.086 0.000 1.130 4522 K CB -0.446 31.960 32.500 -0.158 0.000 1.386 4522 K HN 0.915 nan 8.250 nan 0.000 0.280 4523 R N 0.296 120.770 120.500 -0.044 0.000 2.409 4523 R HA 0.551 4.889 4.340 -0.005 0.000 0.313 4523 R C -0.044 176.233 176.300 -0.039 0.000 0.953 4523 R CA -0.897 55.180 56.100 -0.038 0.000 0.849 4523 R CB 1.247 31.529 30.300 -0.029 0.000 1.171 4523 R HN 0.301 nan 8.270 nan 0.000 0.458 4524 G N 2.605 111.381 108.800 -0.041 0.000 2.415 4524 G HA2 0.260 4.217 3.960 -0.005 0.000 0.269 4524 G HA3 0.260 4.217 3.960 -0.005 0.000 0.269 4524 G C -0.571 174.309 174.900 -0.034 0.000 1.209 4524 G CA -0.664 44.413 45.100 -0.038 0.000 0.835 4524 G HN 0.792 nan 8.290 nan 0.000 0.534 4525 E N 1.223 121.406 120.200 -0.028 0.000 2.207 4525 E HA 0.373 4.720 4.350 -0.005 0.000 0.270 4525 E C -0.076 176.512 176.600 -0.021 0.000 0.927 4525 E CA -0.998 55.387 56.400 -0.024 0.000 0.799 4525 E CB 1.845 31.537 29.700 -0.014 0.000 1.172 4525 E HN 0.259 nan 8.360 nan 0.000 0.404 4526 L N 2.599 123.810 121.223 -0.021 0.000 2.591 4526 L HA 0.257 4.594 4.340 -0.005 0.000 0.228 4526 L C 1.366 178.236 176.870 0.000 0.000 1.133 4526 L CA 1.506 56.337 54.840 -0.014 0.000 0.880 4526 L CB -0.524 41.523 42.059 -0.019 0.000 1.033 4526 L HN 1.065 nan 8.230 nan 0.000 0.450 4527 G N 0.405 109.208 108.800 0.005 0.000 2.212 4527 G HA2 -0.348 3.609 3.960 -0.005 0.000 0.267 4527 G HA3 -0.348 3.609 3.960 -0.005 0.000 0.267 4527 G C 0.460 175.375 174.900 0.024 0.000 1.002 4527 G CA 0.927 46.034 45.100 0.012 0.000 0.729 4527 G HN 0.604 nan 8.290 nan 0.000 0.517 4528 I N -2.456 118.143 120.570 0.048 0.000 2.934 4528 I HA 0.888 5.055 4.170 -0.005 0.000 0.315 4528 I C 0.293 176.476 176.117 0.111 0.000 0.997 4528 I CA -1.430 59.907 61.300 0.062 0.000 1.184 4528 I CB 1.122 39.179 38.000 0.094 0.000 1.400 4528 I HN 0.025 nan 8.210 nan 0.000 0.549 4529 M N 2.620 122.257 119.600 0.062 0.000 2.433 4529 M HA 0.736 5.213 4.480 -0.005 0.000 0.290 4529 M C -0.280 175.925 176.300 -0.159 0.000 1.173 4529 M CA -0.396 54.924 55.300 0.033 0.000 0.905 4529 M CB 2.084 34.673 32.600 -0.019 0.000 1.692 4529 M HN 1.105 nan 8.290 nan 0.000 0.462 4530 G N 1.024 109.537 108.800 -0.479 0.000 2.335 4530 G HA2 0.648 4.606 3.960 -0.005 0.000 0.291 4530 G HA3 0.648 4.606 3.960 -0.005 0.000 0.291 4530 G C -1.081 173.094 174.900 -1.209 0.000 1.261 4530 G CA 0.211 44.910 45.100 -0.668 0.000 0.871 4530 G HN 0.827 nan 8.290 nan 0.000 0.491 4531 T N -3.083 111.010 114.554 -0.768 0.000 2.611 4531 T HA 0.681 5.028 4.350 -0.005 0.000 0.269 4531 T C -0.809 173.843 174.700 -0.081 0.000 1.032 4531 T CA -0.540 61.224 62.100 -0.560 0.000 1.178 4531 T CB 1.360 70.065 68.868 -0.271 0.000 1.651 4531 T HN 0.533 nan 8.240 nan 0.000 0.456 4532 E N 0.347 120.563 120.200 0.026 0.000 2.405 4532 E HA 0.407 4.754 4.350 -0.005 0.000 0.253 4532 E C 0.603 177.257 176.600 0.090 0.000 1.257 4532 E CA -0.515 55.939 56.400 0.091 0.000 0.960 4532 E CB 0.351 30.088 29.700 0.063 0.000 1.077 4532 E HN 0.552 nan 8.360 nan 0.000 0.512 4533 L N 1.574 122.815 121.223 0.030 0.000 2.653 4533 L HA 0.104 4.441 4.340 -0.005 0.000 0.232 4533 L C 1.142 177.968 176.870 -0.073 0.000 1.169 4533 L CA 0.040 54.840 54.840 -0.067 0.000 0.951 4533 L CB -0.176 41.838 42.059 -0.075 0.000 1.181 4533 L HN 0.184 nan 8.230 nan 0.000 0.460 4534 N N -0.820 117.864 118.700 -0.027 0.000 2.407 4534 N HA 0.013 4.750 4.740 -0.005 0.000 0.182 4534 N C 0.856 176.354 175.510 -0.019 0.000 1.079 4534 N CA 0.268 53.302 53.050 -0.027 0.000 0.882 4534 N CB 0.309 38.790 38.487 -0.011 0.000 1.106 4534 N HN 0.256 nan 8.380 nan 0.000 0.461 4535 S N 1.429 117.132 115.700 0.007 0.000 2.542 4535 S HA -0.073 4.394 4.470 -0.005 0.000 0.287 4535 S C 1.156 175.766 174.600 0.016 0.000 1.315 4535 S CA 0.052 58.267 58.200 0.025 0.000 1.037 4535 S CB 0.648 63.895 63.200 0.078 0.000 0.822 4535 S HN 0.222 nan 8.310 nan 0.000 0.513 4536 E N 0.996 121.204 120.200 0.015 0.000 2.209 4536 E HA -0.136 4.211 4.350 -0.005 0.000 0.196 4536 E C 1.624 178.241 176.600 0.028 0.000 0.993 4536 E CA 1.243 57.648 56.400 0.008 0.000 0.819 4536 E CB -0.427 29.274 29.700 0.002 0.000 0.745 4536 E HN 0.637 nan 8.360 nan 0.000 0.477 4537 L N 0.145 121.419 121.223 0.084 0.000 2.313 4537 L HA 0.003 4.341 4.340 -0.005 0.000 0.214 4537 L C 2.373 179.347 176.870 0.173 0.000 1.119 4537 L CA 0.421 55.360 54.840 0.166 0.000 0.809 4537 L CB -0.218 41.983 42.059 0.238 0.000 0.933 4537 L HN 0.131 nan 8.230 nan 0.000 0.449 4538 A N -0.071 122.745 122.820 -0.007 0.000 2.067 4538 A HA -0.086 4.231 4.320 -0.005 0.000 0.217 4538 A C 2.260 179.694 177.584 -0.250 0.000 1.156 4538 A CA 0.918 52.686 52.037 -0.448 0.000 0.683 4538 A CB -0.008 18.703 19.000 -0.481 0.000 0.808 4538 A HN 0.278 nan 8.150 nan 0.000 0.455 4539 K N -0.563 119.769 120.400 -0.113 0.000 2.121 4539 K HA 0.216 4.533 4.320 -0.005 0.000 0.203 4539 K C 2.112 178.683 176.600 -0.049 0.000 1.041 4539 K CA 0.751 56.991 56.287 -0.079 0.000 0.969 4539 K CB -0.187 32.281 32.500 -0.052 0.000 0.799 4539 K HN 0.298 nan 8.250 nan 0.000 0.456 4540 A N 0.950 123.758 122.820 -0.021 0.000 2.234 4540 A HA -0.083 4.234 4.320 -0.005 0.000 0.216 4540 A C 1.692 179.277 177.584 0.003 0.000 1.167 4540 A CA 1.342 53.377 52.037 -0.004 0.000 0.698 4540 A CB -0.422 18.584 19.000 0.011 0.000 0.779 4540 A HN 0.240 nan 8.150 nan 0.000 0.475 4541 M N -1.057 118.540 119.600 -0.006 0.000 2.300 4541 M HA 0.135 4.612 4.480 -0.005 0.000 0.313 4541 M C -0.757 175.519 176.300 -0.040 0.000 0.988 4541 M CA -0.192 55.112 55.300 0.006 0.000 1.012 4541 M CB 0.534 33.182 32.600 0.080 0.000 1.586 4541 M HN 0.193 nan 8.290 nan 0.000 0.562 4542 K N 2.118 122.475 120.400 -0.072 0.000 5.530 4542 K HA -0.120 4.197 4.320 -0.005 0.000 0.493 4542 K C -0.504 176.029 176.600 -0.111 0.000 1.192 4542 K CA 0.231 56.466 56.287 -0.086 0.000 1.270 4542 K CB -1.605 30.865 32.500 -0.051 0.000 1.888 4542 K HN 0.330 nan 8.250 nan 0.000 0.326 4543 V N -0.351 119.456 119.914 -0.178 0.000 2.407 4543 V HA 0.301 4.418 4.120 -0.005 0.000 0.278 4543 V C 0.469 176.491 176.094 -0.121 0.000 1.037 4543 V CA -0.944 61.241 62.300 -0.191 0.000 0.900 4543 V CB 1.558 33.157 31.823 -0.373 0.000 0.983 4543 V HN 0.410 nan 8.190 nan 0.000 0.459 4544 D N 3.701 124.056 120.400 -0.075 0.000 2.341 4544 D HA 0.469 5.107 4.640 -0.005 0.000 0.245 4544 D C 0.827 177.100 176.300 -0.045 0.000 1.106 4544 D CA 1.056 55.027 54.000 -0.049 0.000 0.905 4544 D CB 1.515 42.297 40.800 -0.029 0.000 1.202 4544 D HN 1.505 nan 8.370 nan 0.000 0.426 4545 A N 2.545 125.344 122.820 -0.035 0.000 1.786 4545 A HA -0.251 4.066 4.320 -0.005 0.000 0.237 4545 A C -0.103 177.461 177.584 -0.033 0.000 1.309 4545 A CA 0.532 52.553 52.037 -0.026 0.000 0.713 4545 A CB -1.535 17.457 19.000 -0.014 0.000 1.194 4545 A HN 0.537 nan 8.150 nan 0.000 0.252 4546 Q N 0.696 120.472 119.800 -0.040 0.000 2.398 4546 Q HA 0.570 4.908 4.340 -0.005 0.000 0.251 4546 Q C 0.199 176.187 176.000 -0.020 0.000 0.999 4546 Q CA -0.247 55.529 55.803 -0.045 0.000 0.874 4546 Q CB 0.839 29.536 28.738 -0.069 0.000 1.215 4546 Q HN 0.818 nan 8.270 nan 0.000 0.470 4547 R N 0.404 120.901 120.500 -0.004 0.000 2.812 4547 R HA 0.497 4.834 4.340 -0.005 0.000 0.179 4547 R C -0.569 175.748 176.300 0.028 0.000 1.407 4547 R CA -0.351 55.755 56.100 0.011 0.000 1.031 4547 R CB -0.243 30.061 30.300 0.007 0.000 1.491 4547 R HN 0.642 nan 8.270 nan 0.000 0.619 4548 G N -0.110 108.718 108.800 0.047 0.000 2.348 4548 G HA2 0.603 4.560 3.960 -0.005 0.000 0.296 4548 G HA3 0.603 4.560 3.960 -0.005 0.000 0.296 4548 G C -1.599 173.376 174.900 0.124 0.000 1.258 4548 G CA -0.356 44.788 45.100 0.074 0.000 0.868 4548 G HN 0.543 nan 8.290 nan 0.000 0.488 4549 A N -0.174 122.745 122.820 0.165 0.000 2.260 4549 A HA 0.681 4.998 4.320 -0.005 0.000 0.308 4549 A C -0.694 177.066 177.584 0.293 0.000 1.254 4549 A CA -0.496 51.701 52.037 0.266 0.000 0.874 4549 A CB 0.235 19.425 19.000 0.317 0.000 1.153 4549 A HN 1.118 nan 8.150 nan 0.000 0.527 4550 F N 3.832 123.819 119.950 0.063 0.000 2.445 4550 F HA 0.402 4.926 4.527 -0.005 0.000 0.359 4550 F C -0.093 175.697 175.800 -0.016 0.000 1.101 4550 F CA -0.694 57.308 58.000 0.004 0.000 1.177 4550 F CB 0.896 39.872 39.000 -0.040 0.000 1.110 4550 F HN 0.305 nan 8.300 nan 0.000 0.522 4551 V N 6.841 126.658 119.914 -0.162 0.000 2.356 4551 V HA -0.019 4.098 4.120 -0.005 0.000 0.258 4551 V C 0.778 176.450 176.094 -0.704 0.000 1.065 4551 V CA 0.219 62.335 62.300 -0.306 0.000 0.935 4551 V CB 0.641 32.411 31.823 -0.088 0.000 1.061 4551 V HN 0.951 nan 8.190 nan 0.000 0.484 4552 S N 4.138 119.421 115.700 -0.695 0.000 2.436 4552 S HA 0.025 4.492 4.470 -0.005 0.000 0.228 4552 S C 0.603 175.008 174.600 -0.326 0.000 1.014 4552 S CA 0.916 58.742 58.200 -0.624 0.000 0.950 4552 S CB 0.057 62.979 63.200 -0.464 0.000 0.784 4552 S HN 0.947 nan 8.310 nan 0.000 0.504 4553 Q N -0.776 118.885 119.800 -0.231 0.000 2.617 4553 Q HA 0.519 4.856 4.340 -0.005 0.000 0.270 4553 Q C -1.611 174.339 176.000 -0.084 0.000 0.967 4553 Q CA -0.833 54.891 55.803 -0.133 0.000 0.887 4553 Q CB 1.449 30.122 28.738 -0.108 0.000 1.516 4553 Q HN -0.015 nan 8.270 nan 0.000 0.395 4554 V N 3.417 123.298 119.914 -0.056 0.000 2.370 4554 V HA 0.436 4.553 4.120 -0.005 0.000 0.279 4554 V C -0.353 175.727 176.094 -0.024 0.000 1.029 4554 V CA -0.706 61.576 62.300 -0.030 0.000 0.870 4554 V CB 1.051 32.861 31.823 -0.022 0.000 0.984 4554 V HN 0.813 nan 8.190 nan 0.000 0.451 4555 L N 9.041 130.256 121.223 -0.014 0.000 2.485 4555 L HA 0.258 4.596 4.340 -0.005 0.000 0.275 4555 L C -1.923 174.940 176.870 -0.012 0.000 1.207 4555 L CA -1.226 53.607 54.840 -0.012 0.000 0.855 4555 L CB 0.855 42.911 42.059 -0.004 0.000 1.114 4555 L HN 0.534 nan 8.230 nan 0.000 0.485 4556 P HA -0.001 nan 4.420 nan 0.000 0.269 4556 P C -0.243 177.050 177.300 -0.011 0.000 1.215 4556 P CA 0.040 63.133 63.100 -0.012 0.000 0.780 4556 P CB 0.235 31.927 31.700 -0.013 0.000 0.898 4557 N N -2.034 116.660 118.700 -0.010 0.000 2.666 4557 N HA -0.194 4.543 4.740 -0.005 0.000 0.248 4557 N C -0.093 175.410 175.510 -0.010 0.000 1.118 4557 N CA 0.429 53.472 53.050 -0.010 0.000 0.722 4557 N CB -0.963 37.518 38.487 -0.011 0.000 1.050 4557 N HN 0.550 nan 8.380 nan 0.000 0.550 4558 S N -2.105 113.589 115.700 -0.009 0.000 2.730 4558 S HA 0.449 4.916 4.470 -0.005 0.000 0.284 4558 S C 1.141 175.736 174.600 -0.009 0.000 1.153 4558 S CA -0.214 57.981 58.200 -0.009 0.000 0.995 4558 S CB 1.999 65.195 63.200 -0.007 0.000 1.058 4558 S HN 0.081 nan 8.310 nan 0.000 0.552 4559 S N -0.119 115.575 115.700 -0.009 0.000 2.425 4559 S HA 0.082 4.549 4.470 -0.005 0.000 0.225 4559 S C 1.972 176.568 174.600 -0.007 0.000 1.024 4559 S CA 0.776 58.971 58.200 -0.009 0.000 0.951 4559 S CB -1.108 62.085 63.200 -0.012 0.000 0.796 4559 S HN 0.891 nan 8.310 nan 0.000 0.498 4560 A N 1.434 124.251 122.820 -0.005 0.000 1.898 4560 A HA 0.234 4.551 4.320 -0.005 0.000 0.216 4560 A C 2.398 179.981 177.584 -0.003 0.000 1.181 4560 A CA 1.750 53.786 52.037 -0.002 0.000 0.620 4560 A CB -1.305 17.696 19.000 0.003 0.000 0.819 4560 A HN 0.674 nan 8.150 nan 0.000 0.442 4561 A N -0.196 122.621 122.820 -0.005 0.000 1.841 4561 A HA -0.129 4.188 4.320 -0.005 0.000 0.214 4561 A C 2.188 179.769 177.584 -0.006 0.000 1.195 4561 A CA 2.000 54.033 52.037 -0.007 0.000 0.611 4561 A CB -0.536 18.459 19.000 -0.009 0.000 0.835 4561 A HN 0.343 nan 8.150 nan 0.000 0.443 4562 K N 0.250 120.646 120.400 -0.007 0.000 1.987 4562 K HA -0.180 4.137 4.320 -0.005 0.000 0.216 4562 K C 2.165 178.762 176.600 -0.006 0.000 1.051 4562 K CA 2.082 58.365 56.287 -0.007 0.000 0.942 4562 K CB -0.910 31.586 32.500 -0.008 0.000 0.722 4562 K HN 0.363 nan 8.250 nan 0.000 0.444 4563 A N -0.076 122.741 122.820 -0.005 0.000 1.972 4563 A HA 0.081 4.398 4.320 -0.005 0.000 0.219 4563 A C 0.867 178.449 177.584 -0.002 0.000 1.169 4563 A CA 1.732 53.767 52.037 -0.004 0.000 0.635 4563 A CB -0.522 18.475 19.000 -0.004 0.000 0.810 4563 A HN 0.631 nan 8.150 nan 0.000 0.446 4564 G N -1.744 107.055 108.800 -0.002 0.000 3.088 4564 G HA2 0.367 4.324 3.960 -0.005 0.000 0.620 4564 G HA3 0.367 4.324 3.960 -0.005 0.000 0.620 4564 G C -0.949 173.952 174.900 0.002 0.000 1.375 4564 G CA -0.267 44.833 45.100 0.000 0.000 1.016 4564 G HN 0.848 nan 8.290 nan 0.000 0.590 4565 I N 0.464 121.035 120.570 0.002 0.000 2.397 4565 I HA 0.277 4.444 4.170 -0.005 0.000 0.311 4565 I C -1.097 175.020 176.117 0.000 0.000 2.151 4565 I CA -0.943 60.360 61.300 0.005 0.000 0.931 4565 I CB 2.177 40.181 38.000 0.006 0.000 1.653 4565 I HN 0.640 nan 8.210 nan 0.000 0.634 4566 K N 3.113 123.514 120.400 0.002 0.000 2.523 4566 K HA 0.730 5.047 4.320 -0.005 0.000 0.257 4566 K C -0.641 175.952 176.600 -0.011 0.000 0.932 4566 K CA -0.709 55.574 56.287 -0.006 0.000 0.812 4566 K CB 2.372 34.872 32.500 -0.000 0.000 1.326 4566 K HN 0.662 nan 8.250 nan 0.000 0.433 4567 A N 0.931 123.727 122.820 -0.040 0.000 2.609 4567 A HA 0.322 4.639 4.320 -0.005 0.000 0.232 4567 A C 1.225 178.801 177.584 -0.013 0.000 1.041 4567 A CA 1.800 53.786 52.037 -0.085 0.000 0.753 4567 A CB -0.671 18.258 19.000 -0.119 0.000 0.966 4567 A HN 1.033 nan 8.150 nan 0.000 0.510 4568 G N 1.508 110.317 108.800 0.015 0.000 2.604 4568 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.205 4568 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.205 4568 G C -0.009 175.071 174.900 0.300 0.000 1.186 4568 G CA 0.183 45.460 45.100 0.295 0.000 0.753 4568 G HN 0.933 nan 8.290 nan 0.000 0.526 4569 D N 1.309 121.798 120.400 0.148 0.000 2.548 4569 D HA 0.334 4.971 4.640 -0.005 0.000 0.231 4569 D C 0.397 176.800 176.300 0.171 0.000 1.142 4569 D CA 0.712 54.786 54.000 0.122 0.000 0.866 4569 D CB 1.696 42.540 40.800 0.072 0.000 1.190 4569 D HN 0.362 nan 8.370 nan 0.000 0.469 4570 V N 3.591 123.592 119.914 0.145 0.000 2.334 4570 V HA 0.154 4.271 4.120 -0.005 0.000 0.281 4570 V C 0.488 176.645 176.094 0.104 0.000 1.016 4570 V CA -0.919 61.476 62.300 0.159 0.000 0.832 4570 V CB 1.022 32.917 31.823 0.119 0.000 0.999 4570 V HN 0.299 nan 8.190 nan 0.000 0.439 4571 I N 4.384 125.018 120.570 0.107 0.000 2.710 4571 I HA 0.072 4.239 4.170 -0.005 0.000 0.286 4571 I C 1.464 177.617 176.117 0.061 0.000 1.181 4571 I CA 1.117 62.461 61.300 0.073 0.000 1.430 4571 I CB 0.869 38.910 38.000 0.067 0.000 1.367 4571 I HN 0.689 nan 8.210 nan 0.000 0.577 4572 T N 2.320 116.898 114.554 0.042 0.000 2.969 4572 T HA 0.190 4.537 4.350 -0.005 0.000 0.250 4572 T C 0.293 175.006 174.700 0.023 0.000 1.021 4572 T CA 0.359 62.478 62.100 0.032 0.000 1.003 4572 T CB 0.109 68.993 68.868 0.025 0.000 1.040 4572 T HN 0.731 nan 8.240 nan 0.000 0.492 4573 S N 0.395 116.106 115.700 0.019 0.000 2.625 4573 S HA 0.729 5.197 4.470 -0.005 0.000 0.271 4573 S C -1.806 172.798 174.600 0.006 0.000 1.161 4573 S CA -0.978 57.228 58.200 0.010 0.000 0.820 4573 S CB 1.846 65.051 63.200 0.008 0.000 1.137 4573 S HN 0.166 nan 8.310 nan 0.000 0.470 4574 L N 1.736 122.959 121.223 -0.001 0.000 2.504 4574 L HA 0.479 4.816 4.340 -0.005 0.000 0.265 4574 L C -1.131 175.735 176.870 -0.007 0.000 0.975 4574 L CA -0.332 54.504 54.840 -0.006 0.000 0.864 4574 L CB 0.867 42.918 42.059 -0.015 0.000 1.212 4574 L HN 0.949 nan 8.230 nan 0.000 0.416 4575 N N 3.667 122.364 118.700 -0.006 0.000 2.746 4575 N HA -0.186 4.551 4.740 -0.005 0.000 0.250 4575 N C 0.876 176.384 175.510 -0.004 0.000 1.055 4575 N CA 1.381 54.428 53.050 -0.006 0.000 0.699 4575 N CB -1.032 37.449 38.487 -0.009 0.000 0.919 4575 N HN 1.128 nan 8.380 nan 0.000 0.548 4576 G N -1.703 107.096 108.800 -0.002 0.000 2.458 4576 G HA2 -0.406 3.551 3.960 -0.005 0.000 0.237 4576 G HA3 -0.406 3.551 3.960 -0.005 0.000 0.237 4576 G C 0.185 175.085 174.900 0.000 0.000 1.113 4576 G CA 0.892 45.992 45.100 -0.001 0.000 0.655 4576 G HN 0.529 nan 8.290 nan 0.000 0.513 4577 K N 2.257 122.657 120.400 -0.001 0.000 2.298 4577 K HA 0.509 4.826 4.320 -0.005 0.000 0.280 4577 K C -2.374 174.227 176.600 0.002 0.000 1.032 4577 K CA -1.554 54.732 56.287 -0.001 0.000 0.958 4577 K CB 0.724 33.222 32.500 -0.003 0.000 0.978 4577 K HN 0.151 nan 8.250 nan 0.000 0.472 4578 P HA -0.002 nan 4.420 nan 0.000 0.265 4578 P C -0.693 176.612 177.300 0.009 0.000 1.193 4578 P CA 0.195 63.299 63.100 0.007 0.000 0.765 4578 P CB 0.437 32.142 31.700 0.008 0.000 0.823 4579 I N 2.754 123.332 120.570 0.015 0.000 2.437 4579 I HA 0.082 4.249 4.170 -0.005 0.000 0.279 4579 I C 0.989 177.125 176.117 0.031 0.000 1.028 4579 I CA -0.086 61.225 61.300 0.018 0.000 1.142 4579 I CB 0.874 38.886 38.000 0.020 0.000 1.266 4579 I HN 0.317 nan 8.210 nan 0.000 0.461 4580 S N 2.842 118.560 115.700 0.030 0.000 2.548 4580 S HA 0.180 4.647 4.470 -0.005 0.000 0.215 4580 S C 0.569 175.202 174.600 0.054 0.000 0.976 4580 S CA -0.255 57.967 58.200 0.036 0.000 0.908 4580 S CB 0.022 63.238 63.200 0.026 0.000 0.781 4580 S HN 0.654 nan 8.310 nan 0.000 0.519 4581 S N -0.442 115.298 115.700 0.067 0.000 2.543 4581 S HA 0.541 5.008 4.470 -0.005 0.000 0.274 4581 S C -0.044 174.641 174.600 0.141 0.000 1.149 4581 S CA -0.832 57.432 58.200 0.106 0.000 0.866 4581 S CB 0.293 63.544 63.200 0.086 0.000 1.111 4581 S HN -0.025 nan 8.310 nan 0.000 0.457 4582 F N 2.620 122.592 119.950 0.037 0.000 2.087 4582 F HA -0.129 4.395 4.527 -0.004 0.000 0.299 4582 F C 2.567 178.382 175.800 0.025 0.000 1.100 4582 F CA 2.625 60.644 58.000 0.032 0.000 1.226 4582 F CB -0.990 38.030 39.000 0.034 0.000 0.983 4582 F HN 0.932 nan 8.300 nan 0.000 0.479 4583 A N 0.526 123.416 122.820 0.117 0.000 1.870 4583 A HA -0.296 4.021 4.320 -0.005 0.000 0.219 4583 A C 2.510 180.065 177.584 -0.048 0.000 1.224 4583 A CA 3.093 55.145 52.037 0.025 0.000 0.650 4583 A CB -1.815 17.225 19.000 0.067 0.000 0.836 4583 A HN 0.642 nan 8.150 nan 0.000 0.454 4584 A N -0.862 121.949 122.820 -0.015 0.000 1.903 4584 A HA -0.203 4.114 4.320 -0.005 0.000 0.219 4584 A C 2.314 179.855 177.584 -0.071 0.000 1.191 4584 A CA 1.942 53.964 52.037 -0.025 0.000 0.638 4584 A CB -0.753 18.246 19.000 -0.003 0.000 0.823 4584 A HN 0.664 nan 8.150 nan 0.000 0.451 4585 L N -1.436 119.717 121.223 -0.117 0.000 2.027 4585 L HA -0.166 4.171 4.340 -0.005 0.000 0.206 4585 L C 2.817 179.534 176.870 -0.255 0.000 1.074 4585 L CA 1.860 56.596 54.840 -0.172 0.000 0.745 4585 L CB -0.349 41.596 42.059 -0.189 0.000 0.898 4585 L HN 0.471 nan 8.230 nan 0.000 0.433 4586 R N -0.472 119.779 120.500 -0.415 0.000 2.105 4586 R HA -0.203 4.134 4.340 -0.005 0.000 0.239 4586 R C 2.158 178.350 176.300 -0.180 0.000 1.135 4586 R CA 1.565 57.432 56.100 -0.388 0.000 0.967 4586 R CB -0.233 29.792 30.300 -0.459 0.000 0.861 4586 R HN 0.512 nan 8.270 nan 0.000 0.442 4587 A N 0.112 122.858 122.820 -0.124 0.000 1.929 4587 A HA -0.137 4.180 4.320 -0.005 0.000 0.216 4587 A C 1.966 179.515 177.584 -0.059 0.000 1.176 4587 A CA 0.979 52.979 52.037 -0.061 0.000 0.628 4587 A CB -0.272 18.712 19.000 -0.026 0.000 0.816 4587 A HN 0.398 nan 8.150 nan 0.000 0.444 4588 Q N -0.148 119.611 119.800 -0.068 0.000 2.119 4588 Q HA -0.112 4.225 4.340 -0.005 0.000 0.201 4588 Q C 2.084 178.050 176.000 -0.058 0.000 0.972 4588 Q CA 1.874 57.645 55.803 -0.054 0.000 0.847 4588 Q CB -0.372 28.336 28.738 -0.050 0.000 0.903 4588 Q HN 0.707 nan 8.270 nan 0.000 0.433 4589 V N -2.882 116.985 119.914 -0.077 0.000 3.141 4589 V HA 0.046 4.163 4.120 -0.005 0.000 0.265 4589 V C 1.714 177.773 176.094 -0.059 0.000 1.126 4589 V CA 1.581 63.840 62.300 -0.069 0.000 1.141 4589 V CB -0.874 30.898 31.823 -0.086 0.000 0.743 4589 V HN 0.268 nan 8.190 nan 0.000 0.492 4590 G N -0.253 108.511 108.800 -0.059 0.000 2.985 4590 G HA2 0.085 4.042 3.960 -0.005 0.000 0.209 4590 G HA3 0.085 4.042 3.960 -0.005 0.000 0.209 4590 G C 0.915 175.790 174.900 -0.041 0.000 1.165 4590 G CA 0.716 45.787 45.100 -0.048 0.000 0.776 4590 G HN 0.503 nan 8.290 nan 0.000 0.541 4591 T N 1.132 115.663 114.554 -0.039 0.000 3.269 4591 T HA 0.469 4.816 4.350 -0.005 0.000 0.269 4591 T C -0.092 174.589 174.700 -0.032 0.000 0.993 4591 T CA 0.014 62.093 62.100 -0.034 0.000 0.909 4591 T CB -0.171 68.679 68.868 -0.030 0.000 1.115 4591 T HN 0.096 nan 8.240 nan 0.000 0.543 4592 M N 1.916 121.495 119.600 -0.035 0.000 2.182 4592 M HA 0.352 4.829 4.480 -0.005 0.000 0.266 4592 M C -2.995 173.282 176.300 -0.038 0.000 0.989 4592 M CA -1.607 53.672 55.300 -0.034 0.000 1.003 4592 M CB 2.820 35.400 32.600 -0.034 0.000 1.812 4592 M HN -0.193 nan 8.290 nan 0.000 0.472 4593 P HA 0.250 nan 4.420 nan 0.000 0.274 4593 P C -0.416 176.851 177.300 -0.055 0.000 1.231 4593 P CA -0.538 62.532 63.100 -0.051 0.000 0.790 4593 P CB 0.541 32.209 31.700 -0.053 0.000 0.951 4594 V N 1.524 121.398 119.914 -0.066 0.000 3.212 4594 V HA -0.039 4.078 4.120 -0.005 0.000 0.280 4594 V C 1.924 177.985 176.094 -0.056 0.000 1.369 4594 V CA 1.694 63.956 62.300 -0.063 0.000 1.428 4594 V CB -1.290 30.485 31.823 -0.080 0.000 0.980 4594 V HN 1.058 nan 8.190 nan 0.000 0.527 4595 G N 2.198 110.970 108.800 -0.046 0.000 2.228 4595 G HA2 -0.307 3.650 3.960 -0.005 0.000 0.270 4595 G HA3 -0.307 3.650 3.960 -0.005 0.000 0.270 4595 G C 0.445 175.325 174.900 -0.033 0.000 0.976 4595 G CA 0.521 45.597 45.100 -0.039 0.000 0.636 4595 G HN 0.945 nan 8.290 nan 0.000 0.542 4596 S N 0.048 115.728 115.700 -0.033 0.000 2.589 4596 S HA 0.470 4.937 4.470 -0.005 0.000 0.265 4596 S C 0.461 175.047 174.600 -0.024 0.000 1.342 4596 S CA 0.182 58.365 58.200 -0.028 0.000 1.005 4596 S CB 0.926 64.108 63.200 -0.029 0.000 0.909 4596 S HN 0.453 nan 8.310 nan 0.000 0.555 4597 K N 1.860 122.248 120.400 -0.020 0.000 2.413 4597 K HA 0.487 4.804 4.320 -0.005 0.000 0.257 4597 K C -1.046 175.545 176.600 -0.016 0.000 0.946 4597 K CA -0.398 55.879 56.287 -0.017 0.000 0.823 4597 K CB 1.165 33.657 32.500 -0.014 0.000 1.109 4597 K HN 0.525 nan 8.250 nan 0.000 0.427 4598 L N 0.110 121.323 121.223 -0.015 0.000 2.446 4598 L HA 0.476 4.813 4.340 -0.005 0.000 0.268 4598 L C -0.520 176.344 176.870 -0.011 0.000 0.975 4598 L CA -0.715 54.116 54.840 -0.014 0.000 0.848 4598 L CB 1.878 43.926 42.059 -0.018 0.000 1.225 4598 L HN 0.365 nan 8.230 nan 0.000 0.410 4599 T N 5.126 119.675 114.554 -0.008 0.000 2.749 4599 T HA 0.665 5.012 4.350 -0.005 0.000 0.295 4599 T C -0.381 174.317 174.700 -0.003 0.000 0.936 4599 T CA -0.206 61.891 62.100 -0.005 0.000 1.060 4599 T CB 0.162 69.028 68.868 -0.004 0.000 0.904 4599 T HN 0.491 nan 8.240 nan 0.000 0.500 4600 L N 4.054 125.277 121.223 0.000 0.000 2.341 4600 L HA 0.847 5.184 4.340 -0.005 0.000 0.267 4600 L C 0.518 177.393 176.870 0.009 0.000 1.009 4600 L CA -1.244 53.599 54.840 0.004 0.000 0.819 4600 L CB 0.904 42.965 42.059 0.004 0.000 1.323 4600 L HN 0.607 nan 8.230 nan 0.000 0.425 4601 G N 1.683 110.490 108.800 0.012 0.000 2.325 4601 G HA2 0.645 4.602 3.960 -0.005 0.000 0.298 4601 G HA3 0.645 4.602 3.960 -0.005 0.000 0.298 4601 G C -0.531 174.383 174.900 0.023 0.000 1.134 4601 G CA -0.413 44.697 45.100 0.015 0.000 0.876 4601 G HN 0.515 nan 8.290 nan 0.000 0.452 4602 L N 0.938 122.176 121.223 0.025 0.000 2.376 4602 L HA 0.682 5.019 4.340 -0.005 0.000 0.267 4602 L C -0.257 176.633 176.870 0.034 0.000 1.035 4602 L CA -1.051 53.810 54.840 0.035 0.000 0.800 4602 L CB 2.031 44.111 42.059 0.034 0.000 1.290 4602 L HN 0.340 nan 8.230 nan 0.000 0.462 4603 L N 0.607 121.856 121.223 0.043 0.000 2.482 4603 L HA 0.428 4.766 4.340 -0.005 0.000 0.269 4603 L C -0.134 176.761 176.870 0.041 0.000 0.967 4603 L CA -0.087 54.774 54.840 0.036 0.000 0.851 4603 L CB 1.546 43.625 42.059 0.034 0.000 1.242 4603 L HN 0.638 nan 8.230 nan 0.000 0.404 4604 R N 1.120 121.638 120.500 0.030 0.000 2.716 4604 R HA 0.234 4.571 4.340 -0.005 0.000 0.186 4604 R C -0.148 176.163 176.300 0.019 0.000 0.830 4604 R CA 0.545 56.662 56.100 0.030 0.000 1.059 4604 R CB 0.791 31.108 30.300 0.029 0.000 1.531 4604 R HN 0.727 nan 8.270 nan 0.000 0.633 4605 D N -2.430 117.979 120.400 0.015 0.000 2.153 4605 D HA 0.146 4.783 4.640 -0.005 0.000 0.388 4605 D C 0.207 176.513 176.300 0.009 0.000 1.014 4605 D CA 0.763 54.769 54.000 0.010 0.000 0.906 4605 D CB 1.824 42.629 40.800 0.009 0.000 1.552 4605 D HN 0.313 nan 8.370 nan 0.000 0.522 4606 G N 1.810 110.617 108.800 0.012 0.000 2.885 4606 G HA2 -0.031 3.926 3.960 -0.005 0.000 0.233 4606 G HA3 -0.031 3.926 3.960 -0.005 0.000 0.233 4606 G C -0.633 174.274 174.900 0.012 0.000 2.964 4606 G CA -0.717 44.390 45.100 0.011 0.000 0.824 4606 G HN -0.157 nan 8.290 nan 0.000 0.441 4607 K N 0.524 120.933 120.400 0.015 0.000 2.130 4607 K HA 0.724 5.042 4.320 -0.005 0.000 0.268 4607 K C -0.122 176.487 176.600 0.015 0.000 0.983 4607 K CA -0.583 55.713 56.287 0.014 0.000 0.893 4607 K CB 2.441 34.951 32.500 0.017 0.000 1.066 4607 K HN 0.551 nan 8.250 nan 0.000 0.450 4608 Q N 1.094 120.901 119.800 0.012 0.000 2.353 4608 Q HA 0.501 4.839 4.340 -0.005 0.000 0.275 4608 Q C -1.627 174.378 176.000 0.008 0.000 1.029 4608 Q CA -0.645 55.164 55.803 0.011 0.000 0.848 4608 Q CB 1.937 30.680 28.738 0.009 0.000 1.390 4608 Q HN 0.371 nan 8.270 nan 0.000 0.401 4609 V N 1.894 121.812 119.914 0.007 0.000 3.167 4609 V HA 0.657 4.774 4.120 -0.005 0.000 0.310 4609 V C -1.105 174.990 176.094 0.002 0.000 1.207 4609 V CA -1.043 61.260 62.300 0.004 0.000 1.059 4609 V CB 2.251 34.077 31.823 0.004 0.000 1.079 4609 V HN 0.944 nan 8.190 nan 0.000 0.446 4610 N N 0.903 119.603 118.700 -0.000 0.000 2.225 4610 N HA 0.815 5.552 4.740 -0.005 0.000 0.298 4610 N C -1.047 174.460 175.510 -0.004 0.000 1.076 4610 N CA -0.452 52.596 53.050 -0.003 0.000 0.792 4610 N CB 2.380 40.865 38.487 -0.003 0.000 1.498 4610 N HN 1.073 nan 8.380 nan 0.000 0.474 4611 V N -1.584 118.326 119.914 -0.006 0.000 3.282 4611 V HA 0.619 4.736 4.120 -0.005 0.000 0.295 4611 V C -1.424 174.663 176.094 -0.011 0.000 1.451 4611 V CA -1.161 61.134 62.300 -0.008 0.000 1.062 4611 V CB 1.753 33.571 31.823 -0.007 0.000 1.128 4611 V HN 0.956 nan 8.190 nan 0.000 0.456 4612 N N 1.862 120.554 118.700 -0.013 0.000 2.372 4612 N HA 0.533 5.271 4.740 -0.005 0.000 0.285 4612 N C -0.974 174.524 175.510 -0.018 0.000 1.008 4612 N CA -0.457 52.583 53.050 -0.017 0.000 0.880 4612 N CB 1.850 40.327 38.487 -0.017 0.000 1.239 4612 N HN 0.915 nan 8.380 nan 0.000 0.484 4613 L N 0.837 122.047 121.223 -0.022 0.000 2.399 4613 L HA 0.636 4.973 4.340 -0.005 0.000 0.265 4613 L C 0.653 177.506 176.870 -0.028 0.000 1.089 4613 L CA -0.512 54.314 54.840 -0.023 0.000 0.802 4613 L CB 0.184 42.228 42.059 -0.025 0.000 1.180 4613 L HN 0.549 nan 8.230 nan 0.000 0.454 4614 E N 0.960 121.144 120.200 -0.027 0.000 2.316 4614 E HA 0.354 4.701 4.350 -0.005 0.000 0.258 4614 E C -0.687 175.893 176.600 -0.033 0.000 0.952 4614 E CA -1.098 55.284 56.400 -0.031 0.000 0.818 4614 E CB 1.409 31.093 29.700 -0.027 0.000 1.260 4614 E HN 0.543 nan 8.360 nan 0.000 0.416 4615 L N 1.843 123.043 121.223 -0.039 0.000 2.593 4615 L HA -0.073 4.264 4.340 -0.005 0.000 0.287 4615 L C 0.821 177.675 176.870 -0.027 0.000 1.243 4615 L CA 0.995 55.812 54.840 -0.038 0.000 0.890 4615 L CB 0.106 42.140 42.059 -0.042 0.000 1.134 4615 L HN 0.825 nan 8.230 nan 0.000 0.502 4616 Q N 3.170 122.956 119.800 -0.024 0.000 2.651 4616 Q HA -0.031 4.306 4.340 -0.005 0.000 0.224 4616 Q C 0.695 176.689 176.000 -0.011 0.000 1.094 4616 Q CA 0.147 55.941 55.803 -0.015 0.000 1.018 4616 Q CB 0.608 29.338 28.738 -0.014 0.000 1.292 4616 Q HN 0.698 nan 8.270 nan 0.000 0.588 4617 Q N 0.392 120.188 119.800 -0.006 0.000 2.281 4617 Q HA 0.098 4.435 4.340 -0.005 0.000 0.215 4617 Q C 1.046 177.046 176.000 -0.001 0.000 0.867 4617 Q CA 0.583 56.383 55.803 -0.004 0.000 0.940 4617 Q CB 0.343 29.079 28.738 -0.004 0.000 1.111 4617 Q HN 0.599 nan 8.270 nan 0.000 0.513 4618 S N 2.130 117.831 115.700 0.002 0.000 2.356 4618 S HA -0.045 4.422 4.470 -0.005 0.000 0.223 4618 S C 0.963 175.566 174.600 0.006 0.000 1.032 4618 S CA 1.120 59.324 58.200 0.007 0.000 1.005 4618 S CB -0.097 63.110 63.200 0.011 0.000 0.867 4618 S HN 0.669 nan 8.310 nan 0.000 0.449 4619 S N 1.968 117.670 115.700 0.003 0.000 2.411 4619 S HA 0.573 5.040 4.470 -0.005 0.000 0.304 4619 S C -0.534 174.066 174.600 0.001 0.000 1.098 4619 S CA -0.702 57.499 58.200 0.003 0.000 1.068 4619 S CB 0.720 63.921 63.200 0.002 0.000 1.032 4619 S HN 0.348 nan 8.310 nan 0.000 0.511 4620 Q N 2.299 122.099 119.800 0.001 0.000 2.605 4620 Q HA 0.528 4.865 4.340 -0.005 0.000 0.296 4620 Q C -0.749 175.249 176.000 -0.003 0.000 1.056 4620 Q CA -1.157 54.645 55.803 -0.002 0.000 0.778 4620 Q CB 1.408 30.142 28.738 -0.005 0.000 1.497 4620 Q HN 0.675 nan 8.270 nan 0.000 0.443 4621 N N -0.118 118.578 118.700 -0.007 0.000 2.525 4621 N HA 0.383 5.120 4.740 -0.005 0.000 0.288 4621 N C -0.397 175.097 175.510 -0.027 0.000 1.242 4621 N CA -0.256 52.787 53.050 -0.012 0.000 0.905 4621 N CB 1.822 40.304 38.487 -0.007 0.000 1.258 4621 N HN 0.501 nan 8.380 nan 0.000 0.551 4622 Q N -0.435 119.340 119.800 -0.042 0.000 1.734 4622 Q HA 0.163 4.500 4.340 -0.005 0.000 0.147 4622 Q C 0.845 176.770 176.000 -0.126 0.000 0.447 4622 Q CA -0.179 55.578 55.803 -0.078 0.000 0.734 4622 Q CB 0.178 28.868 28.738 -0.080 0.000 0.855 4622 Q HN 0.449 nan 8.270 nan 0.000 0.259 4623 V N -0.580 119.232 119.914 -0.171 0.000 3.271 4623 V HA 0.289 4.406 4.120 -0.005 0.000 0.327 4623 V C -0.008 176.024 176.094 -0.103 0.000 1.389 4623 V CA 0.869 63.020 62.300 -0.250 0.000 1.156 4623 V CB -0.052 31.423 31.823 -0.579 0.000 1.103 4623 V HN 0.591 nan 8.190 nan 0.000 0.453 4624 D N -1.202 119.169 120.400 -0.049 0.000 2.433 4624 D HA 0.118 4.755 4.640 -0.005 0.000 0.211 4624 D C 1.624 177.928 176.300 0.007 0.000 1.114 4624 D CA 0.756 54.755 54.000 -0.002 0.000 0.837 4624 D CB 0.607 41.413 40.800 0.011 0.000 0.984 4624 D HN 0.276 nan 8.370 nan 0.000 0.505 4625 S N -0.495 115.201 115.700 -0.006 0.000 2.348 4625 S HA 0.049 4.516 4.470 -0.005 0.000 0.219 4625 S C 0.791 175.399 174.600 0.013 0.000 1.033 4625 S CA 0.259 58.462 58.200 0.005 0.000 0.974 4625 S CB -0.044 63.155 63.200 -0.002 0.000 0.868 4625 S HN 0.202 nan 8.310 nan 0.000 0.459 4626 S N 2.199 117.905 115.700 0.009 0.000 2.410 4626 S HA 0.206 4.673 4.470 -0.005 0.000 0.304 4626 S C 1.155 175.776 174.600 0.036 0.000 1.095 4626 S CA -0.450 57.763 58.200 0.022 0.000 1.089 4626 S CB 1.352 64.565 63.200 0.021 0.000 0.968 4626 S HN 0.540 nan 8.310 nan 0.000 0.480 4627 S N 2.999 118.724 115.700 0.042 0.000 2.462 4627 S HA -0.214 4.253 4.470 -0.005 0.000 0.251 4627 S C 1.301 175.948 174.600 0.078 0.000 1.018 4627 S CA 0.945 59.178 58.200 0.055 0.000 0.988 4627 S CB -0.594 62.633 63.200 0.046 0.000 0.766 4627 S HN 0.656 nan 8.310 nan 0.000 0.504 4628 I N 0.175 120.795 120.570 0.082 0.000 3.252 4628 I HA 0.444 4.611 4.170 -0.005 0.000 0.151 4628 I C 0.282 176.531 176.117 0.220 0.000 1.031 4628 I CA 0.761 62.133 61.300 0.120 0.000 1.364 4628 I CB -0.011 38.048 38.000 0.099 0.000 1.211 4628 I HN 0.398 nan 8.210 nan 0.000 0.436 4629 F N -0.597 119.363 119.950 0.017 0.000 2.765 4629 F HA 0.256 4.780 4.527 -0.005 0.000 0.313 4629 F C -0.643 175.167 175.800 0.017 0.000 1.136 4629 F CA -0.571 57.439 58.000 0.017 0.000 0.952 4629 F CB 0.191 39.200 39.000 0.015 0.000 1.268 4629 F HN 0.482 nan 8.300 nan 0.000 0.441 4630 N N 1.201 119.473 118.700 -0.714 0.000 2.448 4630 N HA 0.340 5.077 4.740 -0.005 0.000 0.203 4630 N C -1.883 173.301 175.510 -0.543 0.000 1.794 4630 N CA -0.592 52.246 53.050 -0.354 0.000 1.445 4630 N CB 0.660 39.042 38.487 -0.174 0.000 1.055 4630 N HN 0.546 nan 8.380 nan 0.000 0.859 4631 E N 0.008 120.182 120.200 -0.044 0.000 2.956 4631 E HA 0.269 4.616 4.350 -0.005 0.000 0.353 4631 E C -1.195 175.392 176.600 -0.023 0.000 1.131 4631 E CA -0.053 56.327 56.400 -0.033 0.000 0.851 4631 E CB 0.748 30.433 29.700 -0.026 0.000 1.500 4631 E HN 0.212 nan 8.360 nan 0.000 0.384 4632 M N 0.729 120.317 119.600 -0.021 0.000 2.278 4632 M HA 0.530 5.007 4.480 -0.005 0.000 0.227 4632 M C 0.485 176.779 176.300 -0.010 0.000 1.138 4632 M CA -0.209 55.083 55.300 -0.014 0.000 1.014 4632 M CB 0.809 33.403 32.600 -0.011 0.000 1.289 4632 M HN 0.300 nan 8.290 nan 0.000 0.567 4633 S N -1.982 113.714 115.700 -0.007 0.000 2.663 4633 S HA 0.474 4.941 4.470 -0.005 0.000 0.264 4633 S C -1.557 173.039 174.600 -0.006 0.000 1.112 4633 S CA -1.329 56.867 58.200 -0.005 0.000 0.823 4633 S CB 0.488 63.682 63.200 -0.009 0.000 1.111 4633 S HN 0.567 nan 8.310 nan 0.000 0.476 4634 N N 0.735 119.429 118.700 -0.010 0.000 2.483 4634 N HA 0.527 5.264 4.740 -0.005 0.000 0.269 4634 N C -0.796 174.698 175.510 -0.027 0.000 1.209 4634 N CA -0.264 52.775 53.050 -0.018 0.000 0.969 4634 N CB 1.017 39.484 38.487 -0.032 0.000 1.173 4634 N HN 0.628 nan 8.380 nan 0.000 0.475 4635 K N 0.386 120.769 120.400 -0.028 0.000 2.413 4635 K HA 0.469 4.786 4.320 -0.005 0.000 0.257 4635 K C 0.489 177.066 176.600 -0.038 0.000 0.946 4635 K CA -0.302 55.968 56.287 -0.029 0.000 0.823 4635 K CB 0.808 33.296 32.500 -0.020 0.000 1.109 4635 K HN 0.686 nan 8.250 nan 0.000 0.427 4636 G N 3.781 112.554 108.800 -0.044 0.000 2.568 4636 G HA2 -0.374 3.583 3.960 -0.005 0.000 0.334 4636 G HA3 -0.374 3.583 3.960 -0.005 0.000 0.334 4636 G C -0.119 174.741 174.900 -0.067 0.000 1.348 4636 G CA 0.589 45.659 45.100 -0.050 0.000 0.949 4636 G HN 0.737 nan 8.290 nan 0.000 0.532 4637 K N 0.638 121.002 120.400 -0.061 0.000 2.797 4637 K HA 0.104 4.422 4.320 -0.005 0.000 0.307 4637 K C 0.530 177.096 176.600 -0.058 0.000 1.072 4637 K CA 0.646 56.890 56.287 -0.071 0.000 0.981 4637 K CB -0.726 31.745 32.500 -0.048 0.000 1.078 4637 K HN 0.444 nan 8.250 nan 0.000 0.459 4638 D N 1.224 121.602 120.400 -0.037 0.000 2.941 4638 D HA 0.012 4.649 4.640 -0.005 0.000 0.236 4638 D C -0.299 175.999 176.300 -0.004 0.000 1.147 4638 D CA 0.421 54.415 54.000 -0.010 0.000 0.975 4638 D CB -0.486 40.323 40.800 0.015 0.000 1.162 4638 D HN 0.231 nan 8.370 nan 0.000 0.444 4639 Q N 0.732 120.524 119.800 -0.012 0.000 2.819 4639 Q HA 0.384 4.721 4.340 -0.005 0.000 0.392 4639 Q C 0.813 176.811 176.000 -0.003 0.000 1.088 4639 Q CA -0.620 55.179 55.803 -0.007 0.000 1.062 4639 Q CB 0.868 29.599 28.738 -0.012 0.000 1.369 4639 Q HN 0.426 nan 8.270 nan 0.000 0.434 4640 G N -0.235 108.568 108.800 0.005 0.000 2.750 4640 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.228 4640 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.228 4640 G C -0.638 174.265 174.900 0.005 0.000 1.367 4640 G CA -0.741 44.364 45.100 0.009 0.000 0.871 4640 G HN 0.261 nan 8.290 nan 0.000 0.560 4641 V N 0.167 120.085 119.914 0.007 0.000 2.349 4641 V HA 0.499 4.616 4.120 -0.005 0.000 0.284 4641 V C 0.637 176.730 176.094 -0.002 0.000 1.014 4641 V CA -0.656 61.647 62.300 0.004 0.000 0.826 4641 V CB 1.348 33.178 31.823 0.011 0.000 1.009 4641 V HN 0.844 nan 8.190 nan 0.000 0.431 4642 V N 5.901 125.811 119.914 -0.007 0.000 2.488 4642 V HA 0.250 4.367 4.120 -0.005 0.000 0.277 4642 V C 0.317 176.404 176.094 -0.011 0.000 1.046 4642 V CA -0.010 62.284 62.300 -0.010 0.000 0.986 4642 V CB 1.812 33.627 31.823 -0.013 0.000 0.989 4642 V HN 0.653 nan 8.190 nan 0.000 0.475 4643 V N 7.681 127.588 119.914 -0.012 0.000 2.607 4643 V HA 0.448 4.565 4.120 -0.005 0.000 0.289 4643 V C 0.371 176.457 176.094 -0.013 0.000 1.053 4643 V CA -0.272 62.020 62.300 -0.013 0.000 0.996 4643 V CB 1.404 33.219 31.823 -0.013 0.000 0.995 4643 V HN 0.973 nan 8.190 nan 0.000 0.476 4644 N N 3.768 122.460 118.700 -0.014 0.000 2.752 4644 N HA 0.293 5.030 4.740 -0.005 0.000 0.316 4644 N C -0.337 175.165 175.510 -0.012 0.000 1.343 4644 N CA -0.733 52.309 53.050 -0.013 0.000 0.875 4644 N CB 0.000 38.480 38.487 -0.012 0.000 1.120 4644 N HN 0.688 nan 8.380 nan 0.000 0.562 4645 N N 1.741 120.434 118.700 -0.011 0.000 2.291 4645 N HA -0.047 4.690 4.740 -0.005 0.000 0.281 4645 N C 0.044 175.548 175.510 -0.010 0.000 1.388 4645 N CA 0.225 53.269 53.050 -0.009 0.000 0.920 4645 N CB -0.227 38.255 38.487 -0.008 0.000 1.276 4645 N HN 0.272 nan 8.380 nan 0.000 0.493 4646 V N 0.537 120.445 119.914 -0.009 0.000 3.185 4646 V HA 0.306 4.423 4.120 -0.005 0.000 0.305 4646 V C 0.973 177.064 176.094 -0.005 0.000 1.090 4646 V CA -0.342 61.953 62.300 -0.009 0.000 1.107 4646 V CB 1.028 32.847 31.823 -0.007 0.000 1.061 4646 V HN 0.297 nan 8.190 nan 0.000 0.480 4647 K N 1.137 121.535 120.400 -0.003 0.000 2.642 4647 K HA 0.511 4.828 4.320 -0.005 0.000 0.273 4647 K C 1.267 177.873 176.600 0.009 0.000 1.029 4647 K CA -0.007 56.282 56.287 0.004 0.000 1.071 4647 K CB 0.597 33.100 32.500 0.006 0.000 1.451 4647 K HN 0.830 nan 8.250 nan 0.000 0.559 4648 T N -0.227 114.336 114.554 0.015 0.000 3.010 4648 T HA 0.012 4.359 4.350 -0.005 0.000 0.252 4648 T C 1.651 176.366 174.700 0.024 0.000 1.047 4648 T CA 1.014 63.125 62.100 0.018 0.000 1.140 4648 T CB -0.203 68.677 68.868 0.020 0.000 0.885 4648 T HN 0.699 nan 8.240 nan 0.000 0.464 4649 G N 1.944 110.763 108.800 0.032 0.000 2.448 4649 G HA2 -0.149 3.808 3.960 -0.005 0.000 0.219 4649 G HA3 -0.149 3.808 3.960 -0.005 0.000 0.219 4649 G C 1.059 175.982 174.900 0.037 0.000 1.127 4649 G CA 1.635 46.760 45.100 0.042 0.000 0.766 4649 G HN 0.699 nan 8.290 nan 0.000 0.552 4650 T N -2.687 111.884 114.554 0.028 0.000 3.996 4650 T HA -0.193 4.154 4.350 -0.005 0.000 0.348 4650 T C -0.738 173.978 174.700 0.027 0.000 0.757 4650 T CA 1.119 63.232 62.100 0.021 0.000 1.898 4650 T CB -2.253 66.625 68.868 0.017 0.000 1.861 4650 T HN 0.423 nan 8.240 nan 0.000 0.821 4651 P HA 0.150 nan 4.420 nan 0.000 0.218 4651 P C 1.752 179.071 177.300 0.032 0.000 1.149 4651 P CA 1.448 64.579 63.100 0.051 0.000 0.817 4651 P CB -0.255 31.498 31.700 0.089 0.000 0.785 4652 A N -0.659 122.168 122.820 0.013 0.000 2.044 4652 A HA 0.279 4.597 4.320 -0.005 0.000 0.213 4652 A C 2.166 179.752 177.584 0.003 0.000 1.169 4652 A CA 1.074 53.113 52.037 0.003 0.000 0.724 4652 A CB -1.167 17.823 19.000 -0.016 0.000 0.840 4652 A HN 0.139 nan 8.150 nan 0.000 0.463 4653 A N -0.469 122.353 122.820 0.004 0.000 1.929 4653 A HA -0.137 4.180 4.320 -0.005 0.000 0.216 4653 A C 1.988 179.575 177.584 0.006 0.000 1.176 4653 A CA 1.411 53.450 52.037 0.002 0.000 0.628 4653 A CB -0.509 18.493 19.000 0.002 0.000 0.816 4653 A HN 0.558 nan 8.150 nan 0.000 0.444 4654 Q N -1.461 118.346 119.800 0.012 0.000 2.368 4654 Q HA -0.104 4.233 4.340 -0.005 0.000 0.210 4654 Q C 0.865 176.873 176.000 0.015 0.000 0.982 4654 Q CA 0.825 56.637 55.803 0.015 0.000 0.884 4654 Q CB -0.139 28.612 28.738 0.022 0.000 0.933 4654 Q HN 0.604 nan 8.270 nan 0.000 0.460 4655 I N -0.542 120.036 120.570 0.014 0.000 3.858 4655 I HA 0.157 4.324 4.170 -0.005 0.000 0.325 4655 I C 0.630 176.752 176.117 0.008 0.000 1.403 4655 I CA 0.479 61.788 61.300 0.015 0.000 1.169 4655 I CB 0.041 38.052 38.000 0.019 0.000 1.077 4655 I HN 0.206 nan 8.210 nan 0.000 0.403 4656 G N 0.969 109.771 108.800 0.003 0.000 2.160 4656 G HA2 -0.220 3.737 3.960 -0.005 0.000 0.244 4656 G HA3 -0.220 3.737 3.960 -0.005 0.000 0.244 4656 G C -0.252 174.640 174.900 -0.013 0.000 1.022 4656 G CA -0.008 45.089 45.100 -0.006 0.000 0.741 4656 G HN 0.208 nan 8.290 nan 0.000 0.508 4657 L N 0.518 121.736 121.223 -0.009 0.000 2.294 4657 L HA 0.566 4.903 4.340 -0.005 0.000 0.283 4657 L C 0.805 177.667 176.870 -0.012 0.000 1.015 4657 L CA -0.503 54.329 54.840 -0.013 0.000 0.831 4657 L CB 1.393 43.446 42.059 -0.010 0.000 1.217 4657 L HN 0.291 nan 8.230 nan 0.000 0.420 4658 K N 2.040 122.430 120.400 -0.016 0.000 3.015 4658 K HA 0.237 4.554 4.320 -0.005 0.000 0.340 4658 K C 0.883 177.475 176.600 -0.013 0.000 1.002 4658 K CA -0.013 56.266 56.287 -0.014 0.000 1.190 4658 K CB 0.534 33.024 32.500 -0.017 0.000 1.241 4658 K HN 0.454 nan 8.250 nan 0.000 0.507 4659 K N -1.002 119.390 120.400 -0.013 0.000 2.262 4659 K HA 0.096 4.413 4.320 -0.005 0.000 0.200 4659 K C 0.504 177.096 176.600 -0.014 0.000 1.049 4659 K CA 0.748 57.027 56.287 -0.012 0.000 0.979 4659 K CB 0.594 33.088 32.500 -0.011 0.000 0.773 4659 K HN 0.552 nan 8.250 nan 0.000 0.474 4660 G N 2.093 110.884 108.800 -0.015 0.000 4.713 4660 G HA2 0.165 4.122 3.960 -0.005 0.000 0.318 4660 G HA3 0.165 4.122 3.960 -0.005 0.000 0.318 4660 G C -1.616 173.273 174.900 -0.018 0.000 1.435 4660 G CA -0.463 44.627 45.100 -0.016 0.000 0.965 4660 G HN -0.030 nan 8.290 nan 0.000 0.542 4661 D N 1.008 121.396 120.400 -0.019 0.000 2.414 4661 D HA 0.428 5.066 4.640 -0.005 0.000 0.232 4661 D C 0.561 176.850 176.300 -0.018 0.000 1.070 4661 D CA -0.268 53.718 54.000 -0.022 0.000 0.839 4661 D CB 2.389 43.175 40.800 -0.024 0.000 1.079 4661 D HN 0.095 nan 8.370 nan 0.000 0.521 4662 V N 2.257 122.160 119.914 -0.018 0.000 3.214 4662 V HA 0.406 4.523 4.120 -0.005 0.000 0.306 4662 V C 0.644 176.733 176.094 -0.007 0.000 1.078 4662 V CA -0.579 61.715 62.300 -0.011 0.000 1.077 4662 V CB 0.991 32.808 31.823 -0.010 0.000 1.121 4662 V HN 0.486 nan 8.190 nan 0.000 0.468 4663 I N 2.624 123.196 120.570 0.003 0.000 2.719 4663 I HA 0.246 4.413 4.170 -0.005 0.000 0.275 4663 I C 0.163 176.293 176.117 0.022 0.000 1.228 4663 I CA -0.181 61.127 61.300 0.013 0.000 1.035 4663 I CB 1.288 39.297 38.000 0.015 0.000 1.286 4663 I HN 0.462 nan 8.210 nan 0.000 0.531 4664 I N 1.907 122.493 120.570 0.026 0.000 3.419 4664 I HA 0.134 4.301 4.170 -0.005 0.000 0.286 4664 I C 1.451 177.593 176.117 0.042 0.000 1.268 4664 I CA 0.627 61.945 61.300 0.030 0.000 1.414 4664 I CB -0.699 37.318 38.000 0.028 0.000 1.074 4664 I HN 0.428 nan 8.210 nan 0.000 0.457 4665 G N 1.530 110.363 108.800 0.056 0.000 2.350 4665 G HA2 0.465 4.422 3.960 -0.005 0.000 0.306 4665 G HA3 0.465 4.422 3.960 -0.005 0.000 0.306 4665 G C 0.456 175.390 174.900 0.056 0.000 1.094 4665 G CA -0.250 44.891 45.100 0.068 0.000 0.953 4665 G HN 0.281 nan 8.290 nan 0.000 0.420 4666 A N 3.482 126.327 122.820 0.042 0.000 3.004 4666 A HA 0.266 4.583 4.320 -0.005 0.000 0.252 4666 A C 1.409 179.013 177.584 0.033 0.000 1.802 4666 A CA 0.272 52.330 52.037 0.034 0.000 1.424 4666 A CB -1.032 17.985 19.000 0.027 0.000 1.005 4666 A HN 1.396 nan 8.150 nan 0.000 0.631 4667 N N -0.227 118.499 118.700 0.043 0.000 2.815 4667 N HA -0.339 4.398 4.740 -0.005 0.000 0.247 4667 N C 0.888 176.412 175.510 0.023 0.000 1.030 4667 N CA 2.775 55.849 53.050 0.040 0.000 0.881 4667 N CB -0.685 37.821 38.487 0.030 0.000 1.134 4667 N HN 0.915 nan 8.380 nan 0.000 0.582 4668 Q N -5.434 114.379 119.800 0.021 0.000 7.202 4668 Q HA -0.054 4.283 4.340 -0.005 0.000 0.338 4668 Q C -0.012 175.994 176.000 0.009 0.000 0.933 4668 Q CA -0.159 55.644 55.803 0.001 0.000 0.563 4668 Q CB -0.381 28.352 28.738 -0.008 0.000 0.472 4668 Q HN 0.403 nan 8.270 nan 0.000 0.823 4669 Q N 0.961 120.771 119.800 0.017 0.000 2.665 4669 Q HA 0.785 5.122 4.340 -0.005 0.000 0.176 4669 Q C -0.579 175.437 176.000 0.026 0.000 1.025 4669 Q CA 0.026 55.840 55.803 0.018 0.000 0.953 4669 Q CB 1.401 30.148 28.738 0.015 0.000 2.143 4669 Q HN 0.360 nan 8.270 nan 0.000 0.464 4670 A N 0.609 123.443 122.820 0.024 0.000 2.320 4670 A HA 0.415 4.732 4.320 -0.005 0.000 0.287 4670 A C -0.635 176.966 177.584 0.029 0.000 1.181 4670 A CA -0.267 51.786 52.037 0.026 0.000 0.831 4670 A CB 0.336 19.350 19.000 0.023 0.000 1.102 4670 A HN 0.317 nan 8.150 nan 0.000 0.513 4671 V N 5.358 125.290 119.914 0.031 0.000 2.320 4671 V HA 0.091 4.208 4.120 -0.005 0.000 0.257 4671 V C 1.215 177.328 176.094 0.031 0.000 0.996 4671 V CA -0.354 61.965 62.300 0.032 0.000 0.928 4671 V CB 0.451 32.293 31.823 0.031 0.000 1.169 4671 V HN 1.110 nan 8.190 nan 0.000 0.475 4672 K N 1.449 121.870 120.400 0.035 0.000 2.365 4672 K HA -0.000 4.317 4.320 -0.005 0.000 0.199 4672 K C 0.378 177.001 176.600 0.040 0.000 1.045 4672 K CA 0.918 57.225 56.287 0.033 0.000 0.962 4672 K CB 0.101 32.624 32.500 0.038 0.000 0.759 4672 K HN 0.696 nan 8.250 nan 0.000 0.469 4673 N N -1.068 117.664 118.700 0.052 0.000 2.961 4673 N HA 0.154 4.891 4.740 -0.005 0.000 0.245 4673 N C 0.215 175.760 175.510 0.058 0.000 1.404 4673 N CA -0.830 52.259 53.050 0.064 0.000 0.880 4673 N CB 0.171 38.732 38.487 0.123 0.000 1.461 4673 N HN -0.124 nan 8.380 nan 0.000 0.510 4674 I N -0.232 120.372 120.570 0.056 0.000 2.423 4674 I HA -0.206 3.961 4.170 -0.005 0.000 0.254 4674 I C 2.201 178.344 176.117 0.043 0.000 1.151 4674 I CA 1.648 62.974 61.300 0.043 0.000 1.421 4674 I CB -0.572 37.450 38.000 0.037 0.000 1.079 4674 I HN 0.754 nan 8.210 nan 0.000 0.431 4675 A N 0.725 123.577 122.820 0.054 0.000 1.855 4675 A HA -0.199 4.118 4.320 -0.005 0.000 0.215 4675 A C 2.281 179.882 177.584 0.029 0.000 1.191 4675 A CA 1.546 53.602 52.037 0.031 0.000 0.613 4675 A CB -0.505 18.501 19.000 0.009 0.000 0.829 4675 A HN 0.397 nan 8.150 nan 0.000 0.442 4676 E N -0.386 119.836 120.200 0.036 0.000 2.017 4676 E HA -0.166 4.181 4.350 -0.005 0.000 0.193 4676 E C 2.081 178.698 176.600 0.029 0.000 0.997 4676 E CA 1.031 57.450 56.400 0.031 0.000 0.804 4676 E CB -0.312 29.410 29.700 0.037 0.000 0.757 4676 E HN 0.489 nan 8.360 nan 0.000 0.448 4677 L N 1.604 122.846 121.223 0.032 0.000 1.978 4677 L HA -0.274 4.063 4.340 -0.005 0.000 0.218 4677 L C 2.398 179.284 176.870 0.027 0.000 1.075 4677 L CA 2.022 56.879 54.840 0.028 0.000 0.767 4677 L CB -0.642 41.433 42.059 0.027 0.000 0.890 4677 L HN 0.099 nan 8.230 nan 0.000 0.434 4678 R N 0.033 120.549 120.500 0.027 0.000 2.193 4678 R HA -0.226 4.111 4.340 -0.005 0.000 0.229 4678 R C 2.272 178.589 176.300 0.028 0.000 1.110 4678 R CA 1.578 57.694 56.100 0.027 0.000 0.988 4678 R CB -0.078 30.239 30.300 0.028 0.000 0.871 4678 R HN 0.363 nan 8.270 nan 0.000 0.458 4679 K N -0.572 119.844 120.400 0.027 0.000 2.288 4679 K HA -0.030 4.287 4.320 -0.005 0.000 0.201 4679 K C 1.324 177.937 176.600 0.021 0.000 1.048 4679 K CA 0.962 57.264 56.287 0.024 0.000 0.956 4679 K CB 0.393 32.906 32.500 0.021 0.000 0.746 4679 K HN 0.050 nan 8.250 nan 0.000 0.461 4680 V N 0.488 120.415 119.914 0.022 0.000 2.795 4680 V HA -0.002 4.115 4.120 -0.005 0.000 0.243 4680 V C 1.563 177.670 176.094 0.021 0.000 1.069 4680 V CA 0.628 62.940 62.300 0.020 0.000 1.089 4680 V CB -0.134 31.702 31.823 0.021 0.000 0.756 4680 V HN 0.215 nan 8.190 nan 0.000 0.471 4681 L N 0.951 122.189 121.223 0.024 0.000 2.737 4681 L HA 0.043 4.380 4.340 -0.005 0.000 0.246 4681 L C 1.471 178.357 176.870 0.026 0.000 1.153 4681 L CA 1.088 55.944 54.840 0.026 0.000 0.920 4681 L CB -0.500 41.575 42.059 0.027 0.000 1.090 4681 L HN 0.443 nan 8.230 nan 0.000 0.430 4682 D N -1.430 118.984 120.400 0.024 0.000 2.415 4682 D HA -0.074 4.563 4.640 -0.005 0.000 0.269 4682 D C 2.012 178.323 176.300 0.018 0.000 1.099 4682 D CA 0.862 54.876 54.000 0.023 0.000 0.865 4682 D CB 0.417 41.232 40.800 0.025 0.000 1.359 4682 D HN 0.092 nan 8.370 nan 0.000 0.506 4683 S N 0.024 115.734 115.700 0.016 0.000 2.387 4683 S HA -0.036 4.431 4.470 -0.005 0.000 0.221 4683 S C 0.996 175.603 174.600 0.012 0.000 1.041 4683 S CA 0.199 58.407 58.200 0.012 0.000 0.959 4683 S CB -0.470 62.736 63.200 0.011 0.000 0.843 4683 S HN 0.276 nan 8.310 nan 0.000 0.488 4684 K N 1.538 121.946 120.400 0.014 0.000 2.602 4684 K HA 0.509 4.826 4.320 -0.005 0.000 0.201 4684 K C -2.845 173.765 176.600 0.016 0.000 1.070 4684 K CA -1.660 54.634 56.287 0.013 0.000 1.026 4684 K CB 1.110 33.617 32.500 0.011 0.000 1.534 4684 K HN 0.071 nan 8.250 nan 0.000 0.560 4685 P HA -0.088 nan 4.420 nan 0.000 0.252 4685 P C 0.448 177.759 177.300 0.018 0.000 1.265 4685 P CA 0.371 63.483 63.100 0.020 0.000 0.775 4685 P CB 0.346 32.059 31.700 0.021 0.000 1.128 4686 S N -1.737 113.972 115.700 0.015 0.000 2.288 4686 S HA 0.034 4.501 4.470 -0.005 0.000 0.191 4686 S C 0.771 175.379 174.600 0.015 0.000 1.028 4686 S CA 0.373 58.581 58.200 0.013 0.000 1.030 4686 S CB -0.866 62.340 63.200 0.010 0.000 0.932 4686 S HN -0.110 nan 8.310 nan 0.000 0.463 4687 V N 2.675 122.596 119.914 0.013 0.000 2.427 4687 V HA 0.667 4.784 4.120 -0.005 0.000 0.286 4687 V C -0.770 175.334 176.094 0.017 0.000 1.034 4687 V CA -0.613 61.695 62.300 0.014 0.000 0.893 4687 V CB 1.012 32.840 31.823 0.008 0.000 0.982 4687 V HN 0.568 nan 8.190 nan 0.000 0.452 4688 L N 5.145 126.381 121.223 0.023 0.000 2.404 4688 L HA 0.880 5.217 4.340 -0.005 0.000 0.272 4688 L C -0.185 176.708 176.870 0.037 0.000 0.980 4688 L CA -0.340 54.517 54.840 0.029 0.000 0.836 4688 L CB 1.505 43.582 42.059 0.031 0.000 1.238 4688 L HN 0.706 nan 8.230 nan 0.000 0.408 4689 A N 5.988 128.834 122.820 0.044 0.000 2.363 4689 A HA 0.619 4.936 4.320 -0.005 0.000 0.296 4689 A C -1.256 176.385 177.584 0.095 0.000 1.237 4689 A CA -0.518 51.562 52.037 0.071 0.000 0.773 4689 A CB 0.525 19.560 19.000 0.057 0.000 1.153 4689 A HN 0.516 nan 8.150 nan 0.000 0.473 4690 L N 2.812 124.091 121.223 0.094 0.000 2.433 4690 L HA 0.116 4.453 4.340 -0.005 0.000 0.284 4690 L C -0.112 176.836 176.870 0.131 0.000 1.120 4690 L CA 0.078 54.970 54.840 0.087 0.000 0.879 4690 L CB -0.811 41.278 42.059 0.050 0.000 1.232 4690 L HN 0.609 nan 8.230 nan 0.000 0.454 4691 N N 4.401 123.206 118.700 0.175 0.000 2.950 4691 N HA 0.083 4.820 4.740 -0.005 0.000 0.313 4691 N C 0.325 175.881 175.510 0.077 0.000 1.213 4691 N CA 0.087 53.292 53.050 0.258 0.000 1.184 4691 N CB -0.415 38.227 38.487 0.258 0.000 1.454 4691 N HN 0.618 nan 8.380 nan 0.000 0.532 4692 I N -1.624 118.939 120.570 -0.012 0.000 2.499 4692 I HA 0.376 4.543 4.170 -0.005 0.000 0.296 4692 I C -0.452 175.603 176.117 -0.103 0.000 0.992 4692 I CA -0.800 60.474 61.300 -0.044 0.000 1.297 4692 I CB 1.334 39.312 38.000 -0.037 0.000 1.410 4692 I HN 0.116 nan 8.210 nan 0.000 0.507 4693 Q N 6.488 126.248 119.800 -0.067 0.000 2.589 4693 Q HA 0.266 4.603 4.340 -0.005 0.000 0.245 4693 Q C -1.065 174.907 176.000 -0.047 0.000 0.931 4693 Q CA -0.672 55.086 55.803 -0.075 0.000 0.730 4693 Q CB 0.898 29.601 28.738 -0.058 0.000 1.315 4693 Q HN 0.980 nan 8.270 nan 0.000 0.469 4694 R N 0.903 121.374 120.500 -0.049 0.000 4.902 4694 R HA 0.430 4.767 4.340 -0.005 0.000 0.201 4694 R C 0.627 176.909 176.300 -0.030 0.000 2.020 4694 R CA 0.566 56.645 56.100 -0.035 0.000 1.674 4694 R CB -0.636 29.643 30.300 -0.034 0.000 1.349 4694 R HN 0.880 nan 8.270 nan 0.000 0.813 4695 G N 0.782 109.565 108.800 -0.027 0.000 3.922 4695 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.208 4695 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.208 4695 G C 0.344 175.230 174.900 -0.024 0.000 1.491 4695 G CA 0.321 45.408 45.100 -0.022 0.000 1.017 4695 G HN 0.474 nan 8.290 nan 0.000 0.603 4696 D N 0.697 121.080 120.400 -0.029 0.000 3.161 4696 D HA 0.193 4.830 4.640 -0.005 0.000 0.287 4696 D C 1.686 177.960 176.300 -0.043 0.000 1.343 4696 D CA 1.007 54.989 54.000 -0.029 0.000 1.070 4696 D CB -0.548 40.238 40.800 -0.023 0.000 1.188 4696 D HN 0.797 nan 8.370 nan 0.000 0.409 4697 S N 1.073 116.742 115.700 -0.051 0.000 2.673 4697 S HA 0.071 4.538 4.470 -0.005 0.000 0.308 4697 S C 0.092 174.623 174.600 -0.115 0.000 1.246 4697 S CA 0.065 58.221 58.200 -0.075 0.000 1.077 4697 S CB 0.176 63.335 63.200 -0.069 0.000 0.814 4697 S HN 0.050 nan 8.310 nan 0.000 0.503 4698 T N 5.463 119.919 114.554 -0.163 0.000 3.331 4698 T HA 0.403 4.750 4.350 -0.005 0.000 0.381 4698 T C 0.465 174.828 174.700 -0.562 0.000 1.656 4698 T CA -0.634 61.301 62.100 -0.276 0.000 1.453 4698 T CB -0.689 68.076 68.868 -0.172 0.000 1.066 4698 T HN 0.734 nan 8.240 nan 0.000 0.655 4699 I N -1.269 118.996 120.570 -0.508 0.000 3.078 4699 I HA 0.670 4.837 4.170 -0.005 0.000 0.318 4699 I C -1.040 174.609 176.117 -0.780 0.000 1.016 4699 I CA -1.380 59.588 61.300 -0.552 0.000 1.130 4699 I CB 1.008 38.877 38.000 -0.217 0.000 1.397 4699 I HN 0.220 nan 8.210 nan 0.000 0.570 4700 Y N 2.933 123.236 120.300 0.005 0.000 2.609 4700 Y HA 0.474 5.021 4.550 -0.005 0.000 0.350 4700 Y C -0.516 175.387 175.900 0.006 0.000 1.050 4700 Y CA -0.832 57.271 58.100 0.005 0.000 1.290 4700 Y CB 0.642 39.105 38.460 0.005 0.000 1.094 4700 Y HN 0.252 nan 8.280 nan 0.000 0.583 4701 L N 2.776 124.054 121.223 0.092 0.000 2.454 4701 L HA 0.471 4.808 4.340 -0.005 0.000 0.256 4701 L C 0.485 177.397 176.870 0.070 0.000 1.136 4701 L CA -0.718 54.160 54.840 0.064 0.000 0.804 4701 L CB 0.790 42.866 42.059 0.029 0.000 1.181 4701 L HN 0.517 nan 8.230 nan 0.000 0.469 4702 L N 0.000 121.254 121.223 0.052 0.000 2.949 4702 L HA 0.000 4.337 4.340 -0.005 0.000 0.249 4702 L CA 0.000 54.867 54.840 0.045 0.000 0.813 4702 L CB 0.000 42.082 42.059 0.038 0.000 0.961 4702 L HN 0.000 nan 8.230 nan 0.000 0.502