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 1un8_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSQFFFNQRT HLVSDVIDGA IIASPWNNLA RLESDPAIRI VVRRDLNKNN DATA SEQUENCE VAVISGGGSG HEPAHVGFIG KGMLTAAVCG DVFASPSVDA VLTAIQAVTG DATA SEQUENCE EAGCLLIVKN YTGDRLNFGL AAEKARRLGY NVEMLIVGDD ISLPDNKHPR DATA SEQUENCE GIAGTILVHK IAGYFAERGY NLATVLREAQ YAASNTFSLG VALSSCHLPQ DATA SEQUENCE ETDAAPRHHP GHAELGMGIH GEPGASVIDT QNSAQVVNLM VDKLLAALPE DATA SEQUENCE TGRLAVMINN LGGVSVAEMA IITRELASSP LHSRIDWLIG PASLVTALDM DATA SEQUENCE KGFSLTAIVL EESIEKALLT EVETSNWPTP VPPREITCVV SSHASARVEF DATA SEQUENCE QPSANALVAG IVELVTATLS DLETHLNALD AKVGDGDTGS TFAAAAREIA DATA SEQUENCE SLLHRQQLPL NNLATLFALI GERLTVVMGG SSGVLMSIFF TAAGQKLEQG DATA SEQUENCE ANVVEALNTG LAQMKFYGGA DEGDRTMIDA LQPALTSLLA QPKNLQAAFD DATA SEQUENCE AAQAGAERTC LSSKANAXXX XXXXXESLLG NMDPGAQRLA MVFKALAESE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.024 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 S N 2.122 117.845 115.700 0.038 0.000 2.555 2 S HA 0.329 4.800 4.470 0.000 0.000 0.293 2 S C 0.100 174.716 174.600 0.026 0.000 1.248 2 S CA 0.715 58.961 58.200 0.077 0.000 1.096 2 S CB 0.057 63.343 63.200 0.144 0.000 0.881 2 S HN 0.716 nan 8.310 nan 0.000 0.498 3 Q N 4.765 124.561 119.800 -0.006 0.000 2.788 3 Q HA 0.451 4.792 4.340 0.000 0.000 0.285 3 Q C -1.594 174.354 176.000 -0.087 0.000 1.063 3 Q CA -0.404 55.287 55.803 -0.187 0.000 0.958 3 Q CB 0.226 28.690 28.738 -0.456 0.000 1.211 3 Q HN 0.775 nan 8.270 nan 0.000 0.478 4 F N 0.997 120.844 119.950 -0.172 0.000 2.596 4 F HA 0.429 4.956 4.527 0.000 0.000 0.311 4 F C -1.500 174.291 175.800 -0.015 0.000 1.116 4 F CA -0.831 57.155 58.000 -0.025 0.000 0.957 4 F CB 1.416 40.535 39.000 0.198 0.000 1.250 4 F HN 0.170 nan 8.300 nan 0.000 0.444 5 F N 7.458 127.464 119.950 0.092 0.000 2.413 5 F HA 0.454 4.981 4.527 0.000 0.000 0.359 5 F C -0.366 175.677 175.800 0.405 0.000 1.122 5 F CA -0.252 57.818 58.000 0.116 0.000 1.160 5 F CB 0.455 39.435 39.000 -0.034 0.000 1.146 5 F HN 0.368 nan 8.300 nan 0.000 0.514 6 F N 1.768 121.938 119.950 0.368 0.000 2.817 6 F HA 0.463 4.990 4.527 0.000 0.000 0.317 6 F C -0.846 175.047 175.800 0.156 0.000 1.168 6 F CA -1.064 57.101 58.000 0.275 0.000 0.911 6 F CB 0.943 40.121 39.000 0.296 0.000 1.337 6 F HN 0.191 nan 8.300 nan 0.000 0.464 7 N N -0.406 118.448 118.700 0.257 0.000 2.528 7 N HA 0.205 4.945 4.740 0.000 0.000 0.208 7 N C -0.788 174.824 175.510 0.169 0.000 1.218 7 N CA 0.349 53.443 53.050 0.073 0.000 1.112 7 N CB 0.239 38.794 38.487 0.113 0.000 1.423 7 N HN 0.600 nan 8.380 nan 0.000 0.497 8 Q N 1.609 121.516 119.800 0.178 0.000 2.288 8 Q HA 0.133 4.473 4.340 0.000 0.000 0.258 8 Q C 0.499 176.600 176.000 0.168 0.000 0.957 8 Q CA -0.142 55.708 55.803 0.079 0.000 0.919 8 Q CB 1.760 30.359 28.738 -0.230 0.000 1.185 8 Q HN 0.348 nan 8.270 nan 0.000 0.408 9 R N 2.503 123.109 120.500 0.177 0.000 2.096 9 R HA -0.165 4.175 4.340 0.000 0.000 0.240 9 R C 1.842 178.090 176.300 -0.087 0.000 1.139 9 R CA 2.625 58.691 56.100 -0.057 0.000 0.952 9 R CB -0.780 29.459 30.300 -0.102 0.000 0.854 9 R HN 0.805 nan 8.270 nan 0.000 0.436 10 T N -2.871 111.640 114.554 -0.071 0.000 2.977 10 T HA -0.117 4.233 4.350 0.000 0.000 0.271 10 T C 1.329 176.111 174.700 0.136 0.000 1.105 10 T CA 1.621 63.709 62.100 -0.019 0.000 1.116 10 T CB -0.496 68.353 68.868 -0.033 0.000 0.878 10 T HN 0.581 nan 8.240 nan 0.000 0.509 11 H N -0.302 118.780 119.070 0.020 0.000 2.586 11 H HA 0.344 4.900 4.556 0.000 0.000 0.273 11 H C 1.874 177.222 175.328 0.033 0.000 0.997 11 H CA -0.567 55.498 56.048 0.030 0.000 1.177 11 H CB 0.281 30.073 29.762 0.049 0.000 1.471 11 H HN 0.068 nan 8.280 nan 0.000 0.538 12 L N 1.216 122.511 121.223 0.119 0.000 1.965 12 L HA -0.237 4.103 4.340 0.000 0.000 0.226 12 L C 2.094 178.999 176.870 0.060 0.000 1.083 12 L CA 1.811 56.686 54.840 0.058 0.000 0.790 12 L CB -0.974 41.009 42.059 -0.126 0.000 0.898 12 L HN 0.140 nan 8.230 nan 0.000 0.439 13 V N -0.719 119.208 119.914 0.023 0.000 2.332 13 V HA -0.270 3.850 4.120 0.000 0.000 0.248 13 V C 2.915 179.034 176.094 0.043 0.000 1.055 13 V CA 1.834 64.151 62.300 0.029 0.000 1.038 13 V CB -0.723 31.110 31.823 0.016 0.000 0.651 13 V HN 0.631 nan 8.190 nan 0.000 0.450 14 S N -0.338 115.387 115.700 0.042 0.000 2.368 14 S HA -0.239 4.231 4.470 0.000 0.000 0.225 14 S C 1.764 176.383 174.600 0.032 0.000 1.030 14 S CA 1.849 60.062 58.200 0.021 0.000 0.999 14 S CB -0.449 62.739 63.200 -0.019 0.000 0.844 14 S HN 0.658 nan 8.310 nan 0.000 0.459 15 D N 0.677 121.116 120.400 0.064 0.000 2.144 15 D HA -0.052 4.588 4.640 0.000 0.000 0.199 15 D C 2.071 178.410 176.300 0.065 0.000 0.984 15 D CA 0.921 54.965 54.000 0.073 0.000 0.834 15 D CB -0.518 40.354 40.800 0.120 0.000 0.955 15 D HN 0.304 nan 8.370 nan 0.000 0.465 16 V N 1.621 121.577 119.914 0.071 0.000 2.343 16 V HA -0.209 3.911 4.120 0.000 0.000 0.247 16 V C 2.545 178.666 176.094 0.046 0.000 1.051 16 V CA 0.963 63.301 62.300 0.063 0.000 1.036 16 V CB -0.227 31.637 31.823 0.069 0.000 0.654 16 V HN 0.209 nan 8.190 nan 0.000 0.451 17 I N 0.080 120.675 120.570 0.042 0.000 2.127 17 I HA -0.241 3.929 4.170 0.000 0.000 0.241 17 I C 2.379 178.512 176.117 0.026 0.000 1.075 17 I CA 1.867 63.187 61.300 0.034 0.000 1.334 17 I CB -0.961 37.058 38.000 0.030 0.000 1.040 17 I HN 0.357 nan 8.210 nan 0.000 0.405 18 D N 1.133 121.547 120.400 0.022 0.000 2.116 18 D HA -0.155 4.485 4.640 0.000 0.000 0.193 18 D C 2.164 178.474 176.300 0.017 0.000 0.998 18 D CA 1.759 55.768 54.000 0.016 0.000 0.836 18 D CB -0.526 40.282 40.800 0.013 0.000 0.951 18 D HN 0.412 nan 8.370 nan 0.000 0.449 19 G N 0.671 109.484 108.800 0.021 0.000 2.422 19 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 19 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 19 G C 1.722 176.629 174.900 0.011 0.000 1.146 19 G CA 1.187 46.295 45.100 0.014 0.000 0.769 19 G HN 0.402 nan 8.290 nan 0.000 0.547 20 A N 0.792 123.622 122.820 0.016 0.000 1.933 20 A HA 0.061 4.381 4.320 0.000 0.000 0.218 20 A C 2.363 179.956 177.584 0.015 0.000 1.175 20 A CA 1.214 53.259 52.037 0.013 0.000 0.628 20 A CB -0.240 18.770 19.000 0.017 0.000 0.814 20 A HN 0.347 nan 8.150 nan 0.000 0.444 21 I N 0.050 120.631 120.570 0.019 0.000 2.233 21 I HA -0.177 3.993 4.170 0.000 0.000 0.243 21 I C 2.201 178.328 176.117 0.017 0.000 1.093 21 I CA 0.978 62.291 61.300 0.022 0.000 1.380 21 I CB -0.714 37.298 38.000 0.021 0.000 1.067 21 I HN 0.213 nan 8.210 nan 0.000 0.413 22 I N 1.535 122.111 120.570 0.010 0.000 2.315 22 I HA -0.248 3.922 4.170 0.000 0.000 0.251 22 I C 2.326 178.442 176.117 -0.001 0.000 1.125 22 I CA 1.570 62.872 61.300 0.004 0.000 1.392 22 I CB -1.239 36.761 38.000 -0.000 0.000 1.065 22 I HN 0.188 nan 8.210 nan 0.000 0.424 23 A N -0.324 122.495 122.820 -0.001 0.000 2.387 23 A HA 0.093 4.413 4.320 0.000 0.000 0.234 23 A C 1.214 178.794 177.584 -0.006 0.000 1.253 23 A CA -0.045 51.987 52.037 -0.009 0.000 0.894 23 A CB -0.215 18.776 19.000 -0.014 0.000 0.963 23 A HN 0.255 nan 8.150 nan 0.000 0.508 24 S N 1.358 117.065 115.700 0.013 0.000 2.670 24 S HA 0.134 4.604 4.470 0.000 0.000 0.308 24 S C -1.049 173.560 174.600 0.014 0.000 1.232 24 S CA -0.722 57.501 58.200 0.039 0.000 1.126 24 S CB 0.442 63.682 63.200 0.066 0.000 0.897 24 S HN 0.283 nan 8.310 nan 0.000 0.508 25 P HA -0.025 nan 4.420 nan 0.000 0.215 25 P C 0.385 177.525 177.300 -0.265 0.000 1.153 25 P CA 1.249 64.232 63.100 -0.196 0.000 0.853 25 P CB 0.022 31.545 31.700 -0.296 0.000 0.788 26 W N -2.126 119.180 121.300 0.009 0.000 3.077 26 W HA 0.206 4.866 4.660 0.000 0.000 0.266 26 W C 0.572 177.096 176.519 0.008 0.000 1.300 26 W CA 0.083 57.435 57.345 0.012 0.000 1.586 26 W CB -1.133 28.336 29.460 0.016 0.000 1.103 26 W HN -0.069 nan 8.180 nan 0.000 0.652 27 N N 1.841 120.650 118.700 0.183 0.000 2.735 27 N HA -0.248 4.492 4.740 0.000 0.000 0.248 27 N C 0.044 175.629 175.510 0.124 0.000 1.083 27 N CA 1.318 54.436 53.050 0.113 0.000 0.703 27 N CB -1.701 36.831 38.487 0.075 0.000 1.005 27 N HN 0.384 nan 8.380 nan 0.000 0.550 28 N N -0.521 118.272 118.700 0.155 0.000 2.238 28 N HA 0.163 4.903 4.740 0.000 0.000 0.222 28 N C -0.214 175.335 175.510 0.064 0.000 1.133 28 N CA -0.041 53.070 53.050 0.102 0.000 0.854 28 N CB 0.020 38.562 38.487 0.092 0.000 1.041 28 N HN 0.400 nan 8.380 nan 0.000 0.510 29 L N 0.181 121.443 121.223 0.064 0.000 2.342 29 L HA 0.903 5.243 4.340 0.000 0.000 0.271 29 L C -0.441 176.449 176.870 0.035 0.000 1.008 29 L CA -1.153 53.715 54.840 0.045 0.000 0.818 29 L CB 2.003 44.091 42.059 0.048 0.000 1.296 29 L HN 0.089 nan 8.230 nan 0.000 0.427 30 A N 2.199 125.035 122.820 0.027 0.000 2.547 30 A HA 0.672 4.992 4.320 0.000 0.000 0.297 30 A C -0.966 176.628 177.584 0.016 0.000 1.056 30 A CA -0.762 51.287 52.037 0.020 0.000 0.688 30 A CB 1.546 20.557 19.000 0.018 0.000 1.282 30 A HN 0.724 nan 8.150 nan 0.000 0.400 31 R N 0.099 120.607 120.500 0.012 0.000 2.615 31 R HA 0.451 4.792 4.340 0.000 0.000 0.270 31 R C -0.878 175.425 176.300 0.005 0.000 1.081 31 R CA -0.539 55.567 56.100 0.009 0.000 1.154 31 R CB 0.738 31.040 30.300 0.004 0.000 1.063 31 R HN 0.557 nan 8.270 nan 0.000 0.519 32 L N 1.328 122.552 121.223 0.002 0.000 2.287 32 L HA 0.186 4.526 4.340 0.000 0.000 0.287 32 L C 0.017 176.884 176.870 -0.005 0.000 1.022 32 L CA -0.095 54.744 54.840 -0.002 0.000 0.814 32 L CB 1.392 43.448 42.059 -0.005 0.000 1.217 32 L HN 0.534 nan 8.230 nan 0.000 0.420 33 E N 3.612 123.809 120.200 -0.005 0.000 2.465 33 E HA 0.348 4.698 4.350 0.000 0.000 0.260 33 E C -0.753 175.841 176.600 -0.009 0.000 0.980 33 E CA 0.570 56.966 56.400 -0.007 0.000 0.927 33 E CB 0.428 30.125 29.700 -0.004 0.000 0.934 33 E HN 0.800 nan 8.360 nan 0.000 0.459 34 S N 3.252 118.946 115.700 -0.011 0.000 2.669 34 S HA 0.095 4.566 4.470 0.000 0.000 0.266 34 S C -0.965 173.627 174.600 -0.013 0.000 1.149 34 S CA -1.109 57.083 58.200 -0.013 0.000 0.842 34 S CB 0.742 63.932 63.200 -0.017 0.000 1.160 34 S HN 0.598 nan 8.310 nan 0.000 0.487 35 D N 0.848 121.240 120.400 -0.013 0.000 2.399 35 D HA 0.274 4.914 4.640 0.000 0.000 0.241 35 D C -1.493 174.800 176.300 -0.013 0.000 1.133 35 D CA -1.336 52.657 54.000 -0.011 0.000 0.890 35 D CB 1.117 41.911 40.800 -0.011 0.000 1.201 35 D HN 0.177 nan 8.370 nan 0.000 0.432 36 P HA -0.095 nan 4.420 nan 0.000 0.218 36 P C 0.567 177.864 177.300 -0.005 0.000 1.146 36 P CA 1.292 64.384 63.100 -0.013 0.000 0.813 36 P CB 0.138 31.834 31.700 -0.006 0.000 0.778 37 A N -1.792 121.026 122.820 -0.003 0.000 2.235 37 A HA 0.064 4.384 4.320 0.000 0.000 0.208 37 A C 0.887 178.464 177.584 -0.011 0.000 1.172 37 A CA 0.454 52.489 52.037 -0.003 0.000 0.786 37 A CB -0.850 18.148 19.000 -0.004 0.000 0.804 37 A HN 0.138 nan 8.150 nan 0.000 0.479 38 I N -0.031 120.530 120.570 -0.015 0.000 2.362 38 I HA 0.329 4.499 4.170 0.000 0.000 0.289 38 I C -0.021 176.087 176.117 -0.014 0.000 0.994 38 I CA -0.211 61.076 61.300 -0.022 0.000 1.158 38 I CB 1.741 39.723 38.000 -0.030 0.000 1.315 38 I HN 0.041 nan 8.210 nan 0.000 0.451 39 R N 7.295 127.790 120.500 -0.008 0.000 2.402 39 R HA 0.576 4.917 4.340 0.000 0.000 0.290 39 R C -1.096 175.211 176.300 0.012 0.000 1.321 39 R CA -0.282 55.820 56.100 0.005 0.000 1.283 39 R CB 0.754 31.063 30.300 0.016 0.000 1.111 39 R HN 0.516 nan 8.270 nan 0.000 0.578 40 I N 2.386 122.959 120.570 0.005 0.000 2.404 40 I HA 0.411 4.581 4.170 0.000 0.000 0.293 40 I C -0.241 175.886 176.117 0.017 0.000 0.992 40 I CA -1.262 60.044 61.300 0.010 0.000 1.149 40 I CB 2.123 40.118 38.000 -0.008 0.000 1.315 40 I HN 0.092 nan 8.210 nan 0.000 0.446 41 V N 6.838 126.769 119.914 0.029 0.000 2.459 41 V HA 0.522 4.643 4.120 0.000 0.000 0.295 41 V C -0.222 175.888 176.094 0.026 0.000 1.029 41 V CA -0.613 61.705 62.300 0.030 0.000 0.874 41 V CB 2.587 34.434 31.823 0.042 0.000 0.985 41 V HN 0.508 nan 8.190 nan 0.000 0.438 42 V N 5.555 125.480 119.914 0.020 0.000 3.102 42 V HA 0.665 4.785 4.120 0.000 0.000 0.312 42 V C -0.372 175.731 176.094 0.015 0.000 1.135 42 V CA -0.972 61.336 62.300 0.015 0.000 1.022 42 V CB 2.540 34.368 31.823 0.008 0.000 1.056 42 V HN 1.007 nan 8.190 nan 0.000 0.436 43 R N 2.939 123.445 120.500 0.009 0.000 2.490 43 R HA 0.502 4.842 4.340 0.000 0.000 0.278 43 R C 0.121 176.425 176.300 0.007 0.000 1.069 43 R CA -0.481 55.622 56.100 0.006 0.000 1.080 43 R CB 0.862 31.156 30.300 -0.010 0.000 1.030 43 R HN 0.622 nan 8.270 nan 0.000 0.491 44 R N 0.606 121.113 120.500 0.012 0.000 2.275 44 R HA -0.009 4.331 4.340 0.000 0.000 0.199 44 R C -0.126 176.178 176.300 0.006 0.000 0.989 44 R CA 0.755 56.862 56.100 0.013 0.000 1.016 44 R CB 0.120 30.434 30.300 0.024 0.000 0.918 44 R HN 0.702 nan 8.270 nan 0.000 0.473 45 D N 0.601 120.998 120.400 -0.005 0.000 2.400 45 D HA 0.023 4.663 4.640 0.000 0.000 0.243 45 D C -0.396 175.895 176.300 -0.015 0.000 1.184 45 D CA 0.172 54.163 54.000 -0.016 0.000 0.853 45 D CB 0.053 40.829 40.800 -0.039 0.000 0.944 45 D HN 0.078 nan 8.370 nan 0.000 0.501 46 L N 1.593 122.812 121.223 -0.006 0.000 2.745 46 L HA -0.070 4.270 4.340 0.000 0.000 0.273 46 L C 0.475 177.343 176.870 -0.003 0.000 1.156 46 L CA 0.329 55.167 54.840 -0.003 0.000 0.982 46 L CB 0.041 42.103 42.059 0.004 0.000 1.295 46 L HN 0.054 nan 8.230 nan 0.000 0.483 47 N N 4.015 122.712 118.700 -0.006 0.000 2.851 47 N HA 0.121 4.861 4.740 0.000 0.000 0.248 47 N C 0.543 176.054 175.510 0.002 0.000 1.221 47 N CA -0.455 52.592 53.050 -0.006 0.000 0.847 47 N CB 0.678 39.156 38.487 -0.016 0.000 1.150 47 N HN 0.360 nan 8.380 nan 0.000 0.507 48 K N 0.544 120.950 120.400 0.010 0.000 2.589 48 K HA -0.023 4.297 4.320 0.000 0.000 0.195 48 K C 0.646 177.256 176.600 0.018 0.000 1.040 48 K CA 0.381 56.680 56.287 0.020 0.000 0.950 48 K CB 0.185 32.702 32.500 0.029 0.000 0.781 48 K HN 0.427 nan 8.250 nan 0.000 0.486 49 N N 0.728 119.433 118.700 0.007 0.000 2.354 49 N HA -0.045 4.695 4.740 0.000 0.000 0.179 49 N C 0.367 175.881 175.510 0.006 0.000 1.021 49 N CA 0.647 53.699 53.050 0.004 0.000 0.887 49 N CB 0.047 38.531 38.487 -0.006 0.000 0.974 49 N HN 0.203 nan 8.380 nan 0.000 0.437 50 N N 0.165 118.869 118.700 0.007 0.000 2.476 50 N HA 0.172 4.912 4.740 0.000 0.000 0.275 50 N C -0.314 175.213 175.510 0.029 0.000 1.190 50 N CA -0.404 52.655 53.050 0.015 0.000 0.977 50 N CB 1.516 40.006 38.487 0.005 0.000 1.200 50 N HN -0.275 nan 8.380 nan 0.000 0.515 51 V N 1.072 121.012 119.914 0.043 0.000 2.637 51 V HA 0.225 4.345 4.120 0.000 0.000 0.296 51 V C 0.631 176.749 176.094 0.040 0.000 1.046 51 V CA -0.519 61.810 62.300 0.049 0.000 1.066 51 V CB 0.587 32.448 31.823 0.063 0.000 0.968 51 V HN 0.733 nan 8.190 nan 0.000 0.483 52 A N 5.263 128.105 122.820 0.037 0.000 2.363 52 A HA 0.611 4.931 4.320 0.000 0.000 0.270 52 A C -0.376 177.225 177.584 0.028 0.000 1.121 52 A CA -0.350 51.703 52.037 0.027 0.000 0.800 52 A CB 0.646 19.660 19.000 0.022 0.000 1.052 52 A HN 0.700 nan 8.150 nan 0.000 0.493 53 V N 4.998 124.925 119.914 0.020 0.000 2.293 53 V HA 0.279 4.399 4.120 0.000 0.000 0.275 53 V C -0.162 175.935 176.094 0.005 0.000 1.021 53 V CA 0.026 62.339 62.300 0.022 0.000 0.815 53 V CB 0.245 32.084 31.823 0.027 0.000 1.025 53 V HN 0.719 nan 8.190 nan 0.000 0.448 54 I N 3.144 123.725 120.570 0.019 0.000 2.437 54 I HA 0.629 4.799 4.170 0.000 0.000 0.298 54 I C 0.479 176.604 176.117 0.015 0.000 0.984 54 I CA 0.313 61.630 61.300 0.029 0.000 1.214 54 I CB 1.979 40.022 38.000 0.071 0.000 1.365 54 I HN 0.630 nan 8.210 nan 0.000 0.469 55 S N 2.155 117.843 115.700 -0.020 0.000 2.998 55 S HA 0.977 5.447 4.470 0.000 0.000 0.321 55 S C -0.368 174.211 174.600 -0.034 0.000 1.171 55 S CA 0.116 58.229 58.200 -0.145 0.000 0.882 55 S CB 1.754 64.705 63.200 -0.415 0.000 1.301 55 S HN 1.081 nan 8.310 nan 0.000 0.629 56 G N -0.661 107.971 108.800 -0.279 0.000 2.260 56 G HA2 0.511 4.471 3.960 0.000 0.000 0.250 56 G HA3 0.511 4.471 3.960 0.000 0.000 0.250 56 G C 0.152 175.196 174.900 0.239 0.000 1.340 56 G CA 0.255 45.423 45.100 0.113 0.000 1.056 56 G HN 2.155 nan 8.290 nan 0.000 0.471 57 G N -1.907 107.140 108.800 0.412 0.000 2.315 57 G HA2 0.589 4.549 3.960 0.000 0.000 0.296 57 G HA3 0.589 4.549 3.960 0.000 0.000 0.296 57 G C 0.550 175.652 174.900 0.336 0.000 1.289 57 G CA 0.724 46.058 45.100 0.391 0.000 0.996 57 G HN 2.303 nan 8.290 nan 0.000 0.487 58 G N -0.203 108.781 108.800 0.307 0.000 2.554 58 G HA2 0.527 4.487 3.960 0.000 0.000 0.238 58 G HA3 0.527 4.487 3.960 0.000 0.000 0.238 58 G C 0.551 175.607 174.900 0.260 0.000 1.259 58 G CA 1.132 46.387 45.100 0.258 0.000 0.843 58 G HN 1.283 nan 8.290 nan 0.000 0.582 59 S N -0.953 114.832 115.700 0.143 0.000 2.681 59 S HA 0.658 5.128 4.470 0.000 0.000 0.270 59 S C 1.185 175.730 174.600 -0.092 0.000 1.209 59 S CA 0.535 58.768 58.200 0.055 0.000 0.988 59 S CB 1.430 64.651 63.200 0.034 0.000 1.006 59 S HN 1.942 nan 8.310 nan 0.000 0.558 60 G N 0.235 108.960 108.800 -0.125 0.000 2.154 60 G HA2 -0.135 3.825 3.960 0.000 0.000 0.186 60 G HA3 -0.135 3.825 3.960 0.000 0.000 0.186 60 G C -0.009 174.837 174.900 -0.090 0.000 1.000 60 G CA -0.269 44.737 45.100 -0.156 0.000 0.664 60 G HN 0.712 nan 8.290 nan 0.000 0.513 61 H N 0.224 119.408 119.070 0.190 0.000 2.785 61 H HA 0.272 4.828 4.556 0.000 0.000 0.268 61 H C 0.687 176.064 175.328 0.082 0.000 1.153 61 H CA -0.008 56.110 56.048 0.117 0.000 1.111 61 H CB 0.529 30.319 29.762 0.048 0.000 1.633 61 H HN 0.509 nan 8.280 nan 0.000 0.576 62 E N 2.931 123.221 120.200 0.150 0.000 2.534 62 E HA -0.054 4.296 4.350 0.000 0.000 0.264 62 E C -1.389 175.276 176.600 0.109 0.000 0.981 62 E CA -0.703 55.760 56.400 0.106 0.000 0.948 62 E CB 0.733 30.475 29.700 0.070 0.000 0.934 62 E HN 0.210 nan 8.360 nan 0.000 0.459 63 P HA -0.010 nan 4.420 nan 0.000 0.242 63 P C -0.433 176.893 177.300 0.044 0.000 1.197 63 P CA 0.367 63.467 63.100 0.000 0.000 0.765 63 P CB 0.300 31.916 31.700 -0.140 0.000 0.936 64 A N 0.338 123.284 122.820 0.210 0.000 2.401 64 A HA 0.217 4.537 4.320 0.000 0.000 0.259 64 A C 0.725 178.335 177.584 0.044 0.000 1.103 64 A CA -0.192 51.944 52.037 0.165 0.000 0.789 64 A CB -0.126 18.812 19.000 -0.103 0.000 1.035 64 A HN 0.178 nan 8.150 nan 0.000 0.491 65 H N 1.901 121.132 119.070 0.269 0.000 2.705 65 H HA 0.049 4.605 4.556 0.000 0.000 0.269 65 H C 1.605 177.044 175.328 0.185 0.000 0.998 65 H CA 0.819 57.050 56.048 0.305 0.000 1.193 65 H CB 0.413 30.292 29.762 0.196 0.000 1.485 65 H HN 0.476 nan 8.280 nan 0.000 0.521 66 V N 0.681 120.709 119.914 0.191 0.000 2.469 66 V HA -0.178 3.942 4.120 0.000 0.000 0.251 66 V C 2.561 178.651 176.094 -0.007 0.000 1.064 66 V CA 1.983 64.337 62.300 0.091 0.000 1.066 66 V CB -0.808 31.056 31.823 0.069 0.000 0.667 66 V HN 0.486 nan 8.190 nan 0.000 0.461 67 G N -1.277 107.433 108.800 -0.150 0.000 2.776 67 G HA2 -0.101 3.859 3.960 0.000 0.000 0.209 67 G HA3 -0.101 3.859 3.960 0.000 0.000 0.209 67 G C 0.778 175.268 174.900 -0.683 0.000 1.145 67 G CA 0.168 45.009 45.100 -0.433 0.000 0.791 67 G HN 0.591 nan 8.290 nan 0.000 0.530 68 F N -0.028 120.005 119.950 0.138 0.000 2.764 68 F HA 0.483 5.010 4.527 0.000 0.000 0.310 68 F C 0.448 176.271 175.800 0.039 0.000 1.124 68 F CA -1.006 57.072 58.000 0.130 0.000 1.252 68 F CB 0.441 39.560 39.000 0.199 0.000 1.010 68 F HN -0.123 nan 8.300 nan 0.000 0.518 69 I N 1.241 121.877 120.570 0.110 0.000 2.371 69 I HA 0.636 4.806 4.170 0.000 0.000 0.290 69 I C 0.705 176.829 176.117 0.012 0.000 1.028 69 I CA 0.129 61.459 61.300 0.051 0.000 1.345 69 I CB 0.689 38.714 38.000 0.041 0.000 1.407 69 I HN 0.337 nan 8.210 nan 0.000 0.501 70 G N 5.240 114.024 108.800 -0.027 0.000 2.356 70 G HA2 0.012 3.972 3.960 0.000 0.000 0.300 70 G HA3 0.012 3.972 3.960 0.000 0.000 0.300 70 G C -1.248 173.575 174.900 -0.129 0.000 1.331 70 G CA -1.017 44.026 45.100 -0.096 0.000 0.905 70 G HN 0.565 nan 8.290 nan 0.000 0.587 71 K N 0.208 120.489 120.400 -0.199 0.000 2.453 71 K HA 0.391 4.711 4.320 0.000 0.000 0.280 71 K C 1.424 177.906 176.600 -0.196 0.000 1.045 71 K CA 1.749 57.918 56.287 -0.196 0.000 1.059 71 K CB -0.152 32.199 32.500 -0.247 0.000 0.901 71 K HN 2.240 nan 8.250 nan 0.000 0.475 72 G N 2.981 111.688 108.800 -0.155 0.000 2.194 72 G HA2 -0.258 3.702 3.960 0.000 0.000 0.236 72 G HA3 -0.258 3.702 3.960 0.000 0.000 0.236 72 G C 0.090 174.905 174.900 -0.141 0.000 0.987 72 G CA 0.409 45.413 45.100 -0.161 0.000 0.635 72 G HN 0.585 nan 8.290 nan 0.000 0.520 73 M N -1.589 117.952 119.600 -0.099 0.000 3.328 73 M HA 0.576 5.056 4.480 0.000 0.000 0.423 73 M C -0.557 175.729 176.300 -0.023 0.000 1.828 73 M CA -0.961 54.309 55.300 -0.050 0.000 0.781 73 M CB 0.062 32.657 32.600 -0.008 0.000 2.952 73 M HN -0.041 nan 8.290 nan 0.000 0.476 74 L N 1.479 122.695 121.223 -0.012 0.000 2.593 74 L HA -0.038 4.302 4.340 0.000 0.000 0.287 74 L C 1.224 178.084 176.870 -0.018 0.000 1.243 74 L CA 1.155 55.973 54.840 -0.038 0.000 0.890 74 L CB -0.023 41.997 42.059 -0.065 0.000 1.134 74 L HN 0.692 nan 8.230 nan 0.000 0.502 75 T N 1.840 116.384 114.554 -0.016 0.000 2.976 75 T HA 0.405 4.755 4.350 0.000 0.000 0.257 75 T C 0.399 175.099 174.700 -0.001 0.000 1.051 75 T CA 0.872 62.967 62.100 -0.008 0.000 1.141 75 T CB 0.230 69.096 68.868 -0.003 0.000 0.881 75 T HN 0.716 nan 8.240 nan 0.000 0.461 76 A N 0.044 122.866 122.820 0.003 0.000 2.610 76 A HA 0.836 5.156 4.320 0.000 0.000 0.291 76 A C -1.829 175.770 177.584 0.026 0.000 1.086 76 A CA -0.524 51.523 52.037 0.015 0.000 0.677 76 A CB 0.984 19.990 19.000 0.011 0.000 1.278 76 A HN 0.366 nan 8.150 nan 0.000 0.414 77 A N 0.117 122.967 122.820 0.050 0.000 2.398 77 A HA 0.673 4.993 4.320 0.000 0.000 0.301 77 A C -1.088 176.553 177.584 0.094 0.000 1.041 77 A CA -0.439 51.648 52.037 0.083 0.000 0.711 77 A CB 1.374 20.455 19.000 0.135 0.000 1.240 77 A HN 1.623 nan 8.150 nan 0.000 0.420 78 V N 1.234 121.225 119.914 0.128 0.000 2.333 78 V HA 0.279 4.399 4.120 0.000 0.000 0.274 78 V C -0.179 175.999 176.094 0.140 0.000 1.028 78 V CA -0.684 61.668 62.300 0.087 0.000 0.851 78 V CB 0.421 32.241 31.823 -0.004 0.000 1.000 78 V HN 0.888 nan 8.190 nan 0.000 0.456 79 C N 5.028 124.391 119.300 0.105 0.000 2.265 79 C HA 0.727 5.187 4.460 0.000 0.000 0.332 79 C C 1.315 176.357 174.990 0.086 0.000 1.248 79 C CA -0.533 58.559 59.018 0.122 0.000 1.727 79 C CB -0.210 27.591 27.740 0.102 0.000 2.348 79 C HN 1.038 nan 8.230 nan 0.000 0.519 80 G N 1.883 110.749 108.800 0.111 0.000 2.543 80 G HA2 0.369 4.329 3.960 0.000 0.000 0.290 80 G HA3 0.369 4.329 3.960 0.000 0.000 0.290 80 G C -0.320 174.613 174.900 0.055 0.000 1.310 80 G CA -0.044 45.100 45.100 0.074 0.000 1.025 80 G HN 0.680 nan 8.290 nan 0.000 0.502 81 D N -1.476 118.941 120.400 0.028 0.000 2.393 81 D HA 0.086 4.726 4.640 0.000 0.000 0.246 81 D C 0.728 177.022 176.300 -0.010 0.000 1.275 81 D CA -0.345 53.651 54.000 -0.007 0.000 0.979 81 D CB 0.956 41.739 40.800 -0.028 0.000 1.101 81 D HN 0.028 nan 8.370 nan 0.000 0.505 82 V N 3.282 123.140 119.914 -0.093 0.000 2.506 82 V HA -0.080 4.041 4.120 0.000 0.000 0.296 82 V C 0.848 176.935 176.094 -0.012 0.000 1.004 82 V CA 0.625 62.817 62.300 -0.179 0.000 1.150 82 V CB -1.179 30.409 31.823 -0.392 0.000 0.911 82 V HN 0.663 nan 8.190 nan 0.000 0.476 83 F N 0.860 120.784 119.950 -0.042 0.000 3.100 83 F HA -0.292 4.235 4.527 0.000 0.000 0.284 83 F C 0.792 176.548 175.800 -0.073 0.000 0.875 83 F CA 0.245 58.254 58.000 0.015 0.000 1.039 83 F CB -0.879 38.154 39.000 0.054 0.000 1.111 83 F HN 0.721 nan 8.300 nan 0.000 0.575 84 A N 0.265 123.165 122.820 0.133 0.000 2.374 84 A HA 0.664 4.984 4.320 0.000 0.000 0.305 84 A C 0.079 177.704 177.584 0.070 0.000 1.053 84 A CA -0.330 51.739 52.037 0.054 0.000 0.726 84 A CB 1.276 20.294 19.000 0.031 0.000 1.229 84 A HN 0.073 nan 8.150 nan 0.000 0.431 85 S N 2.809 118.544 115.700 0.059 0.000 2.563 85 S HA 0.326 4.796 4.470 0.000 0.000 0.284 85 S C -2.151 172.492 174.600 0.073 0.000 1.331 85 S CA -0.170 58.093 58.200 0.105 0.000 1.047 85 S CB -0.020 63.247 63.200 0.111 0.000 0.859 85 S HN 0.616 nan 8.310 nan 0.000 0.514 86 P HA 0.179 nan 4.420 nan 0.000 0.274 86 P C -0.397 176.864 177.300 -0.066 0.000 1.246 86 P CA -0.563 62.530 63.100 -0.012 0.000 0.795 86 P CB 0.408 32.070 31.700 -0.062 0.000 1.006 87 S N -0.216 115.437 115.700 -0.077 0.000 2.603 87 S HA 0.107 4.577 4.470 0.000 0.000 0.268 87 S C 1.296 175.817 174.600 -0.132 0.000 1.317 87 S CA -0.580 57.573 58.200 -0.078 0.000 1.012 87 S CB 0.128 63.295 63.200 -0.056 0.000 0.926 87 S HN 0.167 nan 8.310 nan 0.000 0.539 88 V N 1.236 121.087 119.914 -0.104 0.000 2.332 88 V HA -0.179 3.941 4.120 0.000 0.000 0.248 88 V C 2.573 178.592 176.094 -0.125 0.000 1.055 88 V CA 2.263 64.491 62.300 -0.120 0.000 1.038 88 V CB -1.026 30.757 31.823 -0.067 0.000 0.651 88 V HN 0.991 nan 8.190 nan 0.000 0.450 89 D N 0.126 120.472 120.400 -0.089 0.000 2.116 89 D HA -0.207 4.433 4.640 0.000 0.000 0.193 89 D C 2.222 178.463 176.300 -0.099 0.000 0.998 89 D CA 1.885 55.839 54.000 -0.077 0.000 0.836 89 D CB 0.021 40.789 40.800 -0.053 0.000 0.951 89 D HN 0.418 nan 8.370 nan 0.000 0.449 90 A N 0.462 123.215 122.820 -0.112 0.000 1.865 90 A HA -0.167 4.153 4.320 0.000 0.000 0.217 90 A C 2.648 180.129 177.584 -0.173 0.000 1.191 90 A CA 1.866 53.830 52.037 -0.121 0.000 0.623 90 A CB -0.919 18.013 19.000 -0.113 0.000 0.826 90 A HN 0.208 nan 8.150 nan 0.000 0.444 91 V N -0.242 119.508 119.914 -0.274 0.000 2.332 91 V HA -0.246 3.874 4.120 0.000 0.000 0.248 91 V C 2.493 178.454 176.094 -0.222 0.000 1.055 91 V CA 1.981 64.064 62.300 -0.361 0.000 1.038 91 V CB -0.915 30.525 31.823 -0.638 0.000 0.651 91 V HN 0.578 nan 8.190 nan 0.000 0.450 92 L N 0.296 121.411 121.223 -0.181 0.000 1.989 92 L HA -0.178 4.162 4.340 0.000 0.000 0.211 92 L C 2.526 179.305 176.870 -0.151 0.000 1.071 92 L CA 2.638 57.386 54.840 -0.152 0.000 0.749 92 L CB -1.267 40.727 42.059 -0.108 0.000 0.890 92 L HN 0.365 nan 8.230 nan 0.000 0.431 93 T N 0.070 114.555 114.554 -0.115 0.000 2.685 93 T HA -0.278 4.072 4.350 0.000 0.000 0.268 93 T C 1.862 176.506 174.700 -0.093 0.000 1.034 93 T CA 1.636 63.683 62.100 -0.088 0.000 1.149 93 T CB -0.639 68.190 68.868 -0.066 0.000 0.860 93 T HN 0.571 nan 8.240 nan 0.000 0.449 94 A N 0.770 123.529 122.820 -0.102 0.000 1.898 94 A HA -0.002 4.318 4.320 0.000 0.000 0.216 94 A C 2.171 179.692 177.584 -0.106 0.000 1.181 94 A CA 1.110 53.098 52.037 -0.081 0.000 0.620 94 A CB -0.624 18.337 19.000 -0.065 0.000 0.819 94 A HN 0.373 nan 8.150 nan 0.000 0.442 95 I N 0.379 120.851 120.570 -0.163 0.000 2.127 95 I HA -0.294 3.876 4.170 0.000 0.000 0.241 95 I C 2.647 178.547 176.117 -0.361 0.000 1.075 95 I CA 1.693 62.843 61.300 -0.250 0.000 1.334 95 I CB -0.822 36.982 38.000 -0.328 0.000 1.040 95 I HN 0.404 nan 8.210 nan 0.000 0.405 96 Q N -0.196 119.363 119.800 -0.402 0.000 2.226 96 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 96 Q C 2.273 178.248 176.000 -0.042 0.000 0.975 96 Q CA 1.579 57.217 55.803 -0.275 0.000 0.866 96 Q CB -0.323 28.353 28.738 -0.102 0.000 0.915 96 Q HN 0.597 nan 8.270 nan 0.000 0.440 97 A N 0.658 123.444 122.820 -0.056 0.000 2.016 97 A HA -0.043 4.277 4.320 0.000 0.000 0.217 97 A C 1.921 179.507 177.584 0.004 0.000 1.162 97 A CA 1.365 53.395 52.037 -0.012 0.000 0.662 97 A CB 0.115 19.103 19.000 -0.021 0.000 0.812 97 A HN 0.296 nan 8.150 nan 0.000 0.450 98 V N -4.537 115.372 119.914 -0.008 0.000 3.398 98 V HA 0.289 4.410 4.120 0.000 0.000 0.298 98 V C 0.115 176.225 176.094 0.027 0.000 1.496 98 V CA 0.208 62.514 62.300 0.009 0.000 1.044 98 V CB -0.203 31.620 31.823 -0.001 0.000 0.880 98 V HN 0.118 nan 8.190 nan 0.000 0.443 99 T N 2.026 116.605 114.554 0.042 0.000 2.767 99 T HA 0.741 5.091 4.350 0.000 0.000 0.284 99 T C 0.516 175.327 174.700 0.184 0.000 0.973 99 T CA 0.393 62.551 62.100 0.097 0.000 0.996 99 T CB 1.438 70.349 68.868 0.071 0.000 0.927 99 T HN 0.637 nan 8.240 nan 0.000 0.456 100 G N 1.094 109.968 108.800 0.125 0.000 2.795 100 G HA2 0.371 4.331 3.960 0.000 0.000 0.267 100 G HA3 0.371 4.331 3.960 0.000 0.000 0.267 100 G C 0.620 175.569 174.900 0.083 0.000 1.362 100 G CA -0.588 44.569 45.100 0.094 0.000 1.048 100 G HN 0.715 nan 8.290 nan 0.000 0.547 101 E N -0.684 119.537 120.200 0.035 0.000 2.209 101 E HA -0.153 4.197 4.350 0.000 0.000 0.196 101 E C 2.625 179.245 176.600 0.033 0.000 0.993 101 E CA 1.030 57.440 56.400 0.017 0.000 0.819 101 E CB -0.087 29.611 29.700 -0.003 0.000 0.745 101 E HN 0.435 nan 8.360 nan 0.000 0.477 102 A N 0.851 123.694 122.820 0.039 0.000 2.070 102 A HA 0.088 4.408 4.320 0.000 0.000 0.220 102 A C 1.249 178.866 177.584 0.054 0.000 1.159 102 A CA 1.190 53.251 52.037 0.040 0.000 0.656 102 A CB -0.675 18.346 19.000 0.037 0.000 0.800 102 A HN 0.365 nan 8.150 nan 0.000 0.453 103 G N -2.361 106.485 108.800 0.076 0.000 2.757 103 G HA2 0.080 4.040 3.960 0.000 0.000 0.638 103 G HA3 0.080 4.040 3.960 0.000 0.000 0.638 103 G C -0.136 174.807 174.900 0.073 0.000 1.344 103 G CA -0.182 44.972 45.100 0.090 0.000 0.855 103 G HN 2.147 nan 8.290 nan 0.000 0.537 104 C N -1.341 117.997 119.300 0.064 0.000 2.994 104 C HA 0.874 5.334 4.460 0.000 0.000 0.305 104 C C -0.382 174.634 174.990 0.043 0.000 1.251 104 C CA -0.973 58.072 59.018 0.046 0.000 1.478 104 C CB 1.174 28.930 27.740 0.028 0.000 1.922 104 C HN 2.013 nan 8.230 nan 0.000 0.472 105 L N 2.970 124.217 121.223 0.040 0.000 2.287 105 L HA 0.701 5.041 4.340 0.000 0.000 0.287 105 L C -0.695 176.197 176.870 0.036 0.000 1.022 105 L CA -0.602 54.260 54.840 0.036 0.000 0.814 105 L CB 0.885 42.965 42.059 0.035 0.000 1.217 105 L HN 0.813 nan 8.230 nan 0.000 0.420 106 L N 6.373 127.618 121.223 0.038 0.000 2.276 106 L HA 0.432 4.772 4.340 0.000 0.000 0.286 106 L C -0.292 176.558 176.870 -0.033 0.000 1.061 106 L CA -0.300 54.564 54.840 0.039 0.000 0.807 106 L CB 1.013 43.137 42.059 0.107 0.000 1.177 106 L HN 0.530 nan 8.230 nan 0.000 0.429 107 I N 4.710 125.241 120.570 -0.065 0.000 2.328 107 I HA 0.308 4.478 4.170 0.000 0.000 0.287 107 I C -0.398 175.591 176.117 -0.214 0.000 1.012 107 I CA -0.417 60.840 61.300 -0.071 0.000 1.195 107 I CB 1.688 39.731 38.000 0.073 0.000 1.350 107 I HN 0.252 nan 8.210 nan 0.000 0.464 108 V N 6.944 126.708 119.914 -0.250 0.000 2.495 108 V HA 0.301 4.421 4.120 0.000 0.000 0.298 108 V C 0.331 176.334 176.094 -0.151 0.000 1.031 108 V CA -1.030 61.062 62.300 -0.347 0.000 0.871 108 V CB 2.054 33.608 31.823 -0.448 0.000 0.988 108 V HN 0.630 nan 8.190 nan 0.000 0.432 109 K N 2.616 122.988 120.400 -0.046 0.000 2.326 109 K HA 0.146 4.466 4.320 0.000 0.000 0.275 109 K C 0.303 176.942 176.600 0.065 0.000 1.018 109 K CA -0.404 55.940 56.287 0.095 0.000 0.962 109 K CB 0.343 33.035 32.500 0.320 0.000 0.953 109 K HN 0.523 nan 8.250 nan 0.000 0.475 110 N N 3.149 121.740 118.700 -0.182 0.000 2.454 110 N HA -0.011 4.729 4.740 0.000 0.000 0.285 110 N C -1.721 173.351 175.510 -0.729 0.000 1.233 110 N CA 0.539 53.372 53.050 -0.362 0.000 1.036 110 N CB -0.420 37.865 38.487 -0.337 0.000 1.423 110 N HN 0.336 nan 8.380 nan 0.000 0.495 111 Y N -0.206 120.074 120.300 -0.033 0.000 2.442 111 Y HA 0.159 4.709 4.550 0.000 0.000 0.330 111 Y C 1.601 177.476 175.900 -0.041 0.000 1.100 111 Y CA -0.924 57.159 58.100 -0.028 0.000 1.034 111 Y CB 1.227 39.685 38.460 -0.005 0.000 1.285 111 Y HN 0.119 nan 8.280 nan 0.000 0.440 112 T N 1.331 115.922 114.554 0.062 0.000 2.592 112 T HA -0.282 4.068 4.350 0.000 0.000 0.267 112 T C 2.117 176.851 174.700 0.056 0.000 1.060 112 T CA 2.393 64.503 62.100 0.016 0.000 1.167 112 T CB -0.590 68.278 68.868 0.000 0.000 0.863 112 T HN 1.056 nan 8.240 nan 0.000 0.431 113 G N 1.689 110.534 108.800 0.075 0.000 2.513 113 G HA2 -0.304 3.656 3.960 0.000 0.000 0.219 113 G HA3 -0.304 3.656 3.960 0.000 0.000 0.219 113 G C 1.331 176.316 174.900 0.141 0.000 1.160 113 G CA 1.401 46.549 45.100 0.080 0.000 0.767 113 G HN 0.430 nan 8.290 nan 0.000 0.571 114 D N 0.213 120.726 120.400 0.188 0.000 2.123 114 D HA -0.012 4.628 4.640 0.000 0.000 0.200 114 D C 2.757 179.217 176.300 0.267 0.000 0.976 114 D CA 0.516 54.696 54.000 0.300 0.000 0.831 114 D CB -0.250 40.660 40.800 0.182 0.000 0.974 114 D HN 0.275 nan 8.370 nan 0.000 0.469 115 R N 0.255 120.824 120.500 0.116 0.000 2.083 115 R HA -0.033 4.307 4.340 0.000 0.000 0.237 115 R C 2.525 178.881 176.300 0.094 0.000 1.137 115 R CA 0.769 56.907 56.100 0.064 0.000 0.951 115 R CB -0.359 29.935 30.300 -0.011 0.000 0.851 115 R HN 0.216 nan 8.270 nan 0.000 0.434 116 L N 0.514 121.785 121.223 0.080 0.000 2.072 116 L HA -0.137 4.203 4.340 0.000 0.000 0.205 116 L C 1.816 178.733 176.870 0.078 0.000 1.079 116 L CA 1.014 55.891 54.840 0.061 0.000 0.752 116 L CB -0.450 41.631 42.059 0.037 0.000 0.906 116 L HN 0.192 nan 8.230 nan 0.000 0.436 117 N N -0.147 118.620 118.700 0.111 0.000 2.207 117 N HA -0.097 4.643 4.740 0.000 0.000 0.182 117 N C 1.702 177.231 175.510 0.032 0.000 1.020 117 N CA 1.203 54.285 53.050 0.053 0.000 0.858 117 N CB -0.278 38.220 38.487 0.018 0.000 0.991 117 N HN 0.126 nan 8.380 nan 0.000 0.427 118 F N 0.851 120.801 119.950 0.001 0.000 2.259 118 F HA 0.083 4.610 4.527 0.000 0.000 0.298 118 F C 2.403 178.198 175.800 -0.008 0.000 1.088 118 F CA 0.919 58.916 58.000 -0.005 0.000 1.358 118 F CB -0.805 38.194 39.000 -0.001 0.000 1.040 118 F HN 0.059 nan 8.300 nan 0.000 0.505 119 G N 0.131 109.040 108.800 0.182 0.000 2.453 119 G HA2 -0.265 3.695 3.960 0.000 0.000 0.215 119 G HA3 -0.265 3.695 3.960 0.000 0.000 0.215 119 G C 1.642 176.575 174.900 0.054 0.000 1.201 119 G CA 0.897 46.055 45.100 0.096 0.000 0.784 119 G HN 0.287 nan 8.290 nan 0.000 0.545 120 L N 1.588 122.833 121.223 0.036 0.000 2.127 120 L HA 0.108 4.448 4.340 0.000 0.000 0.211 120 L C 2.996 179.867 176.870 0.001 0.000 1.089 120 L CA 1.968 56.816 54.840 0.014 0.000 0.757 120 L CB -0.847 41.214 42.059 0.004 0.000 0.899 120 L HN 0.265 nan 8.230 nan 0.000 0.434 121 A N -0.441 122.371 122.820 -0.014 0.000 1.877 121 A HA -0.105 4.215 4.320 0.000 0.000 0.216 121 A C 2.487 180.061 177.584 -0.017 0.000 1.186 121 A CA 1.915 53.925 52.037 -0.044 0.000 0.620 121 A CB -1.214 17.721 19.000 -0.108 0.000 0.822 121 A HN 0.557 nan 8.150 nan 0.000 0.443 122 A N -0.388 122.443 122.820 0.020 0.000 1.908 122 A HA -0.183 4.137 4.320 0.000 0.000 0.218 122 A C 1.938 179.541 177.584 0.032 0.000 1.181 122 A CA 1.827 53.883 52.037 0.031 0.000 0.627 122 A CB -0.467 18.566 19.000 0.055 0.000 0.818 122 A HN 0.488 nan 8.150 nan 0.000 0.445 123 E N 0.245 120.463 120.200 0.030 0.000 2.077 123 E HA -0.166 4.184 4.350 0.000 0.000 0.193 123 E C 1.917 178.537 176.600 0.032 0.000 0.989 123 E CA 1.326 57.744 56.400 0.030 0.000 0.800 123 E CB -0.353 29.362 29.700 0.024 0.000 0.746 123 E HN 0.661 nan 8.360 nan 0.000 0.452 124 K N 0.410 120.824 120.400 0.022 0.000 2.211 124 K HA 0.004 4.324 4.320 0.000 0.000 0.203 124 K C 2.063 178.695 176.600 0.053 0.000 1.050 124 K CA 0.849 57.152 56.287 0.027 0.000 0.945 124 K CB 0.008 32.512 32.500 0.007 0.000 0.732 124 K HN 0.026 nan 8.250 nan 0.000 0.451 125 A N 1.529 124.377 122.820 0.047 0.000 1.897 125 A HA -0.112 4.209 4.320 0.000 0.000 0.215 125 A C 2.029 179.738 177.584 0.208 0.000 1.181 125 A CA 0.938 53.033 52.037 0.097 0.000 0.620 125 A CB -0.261 18.722 19.000 -0.028 0.000 0.821 125 A HN 0.163 nan 8.150 nan 0.000 0.443 126 R N -0.779 119.794 120.500 0.122 0.000 2.105 126 R HA -0.126 4.214 4.340 0.000 0.000 0.239 126 R C 2.443 178.793 176.300 0.083 0.000 1.135 126 R CA 1.556 57.719 56.100 0.104 0.000 0.967 126 R CB -0.295 30.045 30.300 0.065 0.000 0.861 126 R HN 0.579 nan 8.270 nan 0.000 0.442 127 R N 1.047 121.590 120.500 0.072 0.000 2.193 127 R HA -0.070 4.270 4.340 0.000 0.000 0.229 127 R C 1.330 177.662 176.300 0.053 0.000 1.110 127 R CA 1.033 57.163 56.100 0.050 0.000 0.988 127 R CB -0.016 30.309 30.300 0.041 0.000 0.871 127 R HN 0.213 nan 8.270 nan 0.000 0.458 128 L N -0.219 121.066 121.223 0.102 0.000 2.629 128 L HA 0.249 4.589 4.340 0.000 0.000 0.230 128 L C 1.103 177.942 176.870 -0.053 0.000 1.151 128 L CA 0.459 55.350 54.840 0.085 0.000 0.924 128 L CB 0.519 42.728 42.059 0.249 0.000 1.137 128 L HN 0.578 nan 8.230 nan 0.000 0.457 129 G N -1.271 107.516 108.800 -0.022 0.000 2.199 129 G HA2 -0.325 3.635 3.960 0.000 0.000 0.254 129 G HA3 -0.325 3.635 3.960 0.000 0.000 0.254 129 G C 0.105 174.940 174.900 -0.110 0.000 0.982 129 G CA -0.298 44.742 45.100 -0.100 0.000 0.632 129 G HN 0.279 nan 8.290 nan 0.000 0.529 130 Y N 1.246 121.549 120.300 0.005 0.000 2.397 130 Y HA 0.373 4.923 4.550 0.000 0.000 0.335 130 Y C 1.197 177.103 175.900 0.010 0.000 1.213 130 Y CA -0.107 57.997 58.100 0.008 0.000 1.391 130 Y CB 0.494 38.959 38.460 0.009 0.000 1.293 130 Y HN 0.119 nan 8.280 nan 0.000 0.557 131 N N 1.681 120.485 118.700 0.173 0.000 2.426 131 N HA 0.441 5.181 4.740 0.000 0.000 0.257 131 N C -1.561 174.010 175.510 0.102 0.000 1.002 131 N CA -0.337 52.775 53.050 0.103 0.000 0.942 131 N CB 1.221 39.749 38.487 0.068 0.000 1.112 131 N HN 0.200 nan 8.380 nan 0.000 0.499 132 V N 1.729 121.691 119.914 0.080 0.000 2.789 132 V HA 0.452 4.572 4.120 0.000 0.000 0.311 132 V C -0.419 175.702 176.094 0.045 0.000 1.073 132 V CA -0.795 61.542 62.300 0.061 0.000 0.921 132 V CB 2.346 34.203 31.823 0.057 0.000 1.009 132 V HN 0.544 nan 8.190 nan 0.000 0.426 133 E N 2.958 123.181 120.200 0.039 0.000 2.340 133 E HA 0.603 4.953 4.350 0.000 0.000 0.273 133 E C -1.182 175.433 176.600 0.025 0.000 0.891 133 E CA -0.655 55.761 56.400 0.028 0.000 0.757 133 E CB 2.889 32.601 29.700 0.020 0.000 1.231 133 E HN 0.739 nan 8.360 nan 0.000 0.439 134 M N 2.979 122.589 119.600 0.016 0.000 2.326 134 M HA 0.412 4.892 4.480 0.000 0.000 0.306 134 M C -1.786 174.504 176.300 -0.016 0.000 1.054 134 M CA -1.072 54.230 55.300 0.005 0.000 0.922 134 M CB 1.408 34.017 32.600 0.015 0.000 1.632 134 M HN 0.361 nan 8.290 nan 0.000 0.436 135 L N 6.708 127.911 121.223 -0.034 0.000 2.316 135 L HA 0.575 4.915 4.340 0.000 0.000 0.280 135 L C -1.625 175.202 176.870 -0.071 0.000 1.006 135 L CA -0.271 54.542 54.840 -0.045 0.000 0.836 135 L CB 1.139 43.175 42.059 -0.039 0.000 1.221 135 L HN 0.674 nan 8.230 nan 0.000 0.418 136 I N 5.952 126.481 120.570 -0.070 0.000 2.396 136 I HA 0.277 4.447 4.170 0.000 0.000 0.289 136 I C -0.100 175.961 176.117 -0.093 0.000 1.056 136 I CA -0.030 61.218 61.300 -0.087 0.000 1.365 136 I CB 1.261 39.216 38.000 -0.075 0.000 1.407 136 I HN 0.252 nan 8.210 nan 0.000 0.509 137 V N 5.594 125.445 119.914 -0.106 0.000 2.370 137 V HA 0.689 4.809 4.120 0.000 0.000 0.279 137 V C 0.713 176.729 176.094 -0.129 0.000 1.029 137 V CA -0.480 61.749 62.300 -0.119 0.000 0.870 137 V CB 1.192 32.939 31.823 -0.125 0.000 0.984 137 V HN 0.918 nan 8.190 nan 0.000 0.451 138 G N 3.025 111.742 108.800 -0.139 0.000 4.138 138 G HA2 0.319 4.279 3.960 0.000 0.000 0.335 138 G HA3 0.319 4.279 3.960 0.000 0.000 0.335 138 G C 0.285 175.096 174.900 -0.147 0.000 1.517 138 G CA -0.232 44.782 45.100 -0.144 0.000 0.960 138 G HN 0.764 nan 8.290 nan 0.000 0.493 139 D N 0.352 120.662 120.400 -0.150 0.000 2.348 139 D HA -0.050 4.590 4.640 0.000 0.000 0.211 139 D C 0.184 176.426 176.300 -0.097 0.000 0.998 139 D CA -0.273 53.625 54.000 -0.171 0.000 0.873 139 D CB 0.350 41.045 40.800 -0.176 0.000 0.925 139 D HN 0.289 nan 8.370 nan 0.000 0.524 140 D N 1.220 121.579 120.400 -0.069 0.000 2.455 140 D HA -0.032 4.608 4.640 0.000 0.000 0.241 140 D C 1.309 177.605 176.300 -0.006 0.000 1.138 140 D CA -0.119 53.863 54.000 -0.030 0.000 0.877 140 D CB 0.593 41.373 40.800 -0.034 0.000 1.187 140 D HN 0.333 nan 8.370 nan 0.000 0.451 141 I N 0.517 121.102 120.570 0.026 0.000 4.081 141 I HA 0.122 4.292 4.170 0.000 0.000 0.333 141 I C 1.232 177.360 176.117 0.018 0.000 1.413 141 I CA -0.251 61.076 61.300 0.045 0.000 1.110 141 I CB 0.104 38.164 38.000 0.100 0.000 1.082 141 I HN 0.243 nan 8.210 nan 0.000 0.402 142 S N 1.969 117.671 115.700 0.004 0.000 2.423 142 S HA 0.055 4.525 4.470 0.000 0.000 0.231 142 S C 1.004 175.599 174.600 -0.008 0.000 1.014 142 S CA 0.550 58.746 58.200 -0.006 0.000 0.965 142 S CB -0.528 62.665 63.200 -0.012 0.000 0.785 142 S HN 0.562 nan 8.310 nan 0.000 0.495 143 L N 1.749 122.967 121.223 -0.009 0.000 2.445 143 L HA 0.410 4.750 4.340 0.000 0.000 0.252 143 L C -2.143 174.717 176.870 -0.017 0.000 1.105 143 L CA -1.903 52.930 54.840 -0.013 0.000 0.943 143 L CB 1.522 43.573 42.059 -0.012 0.000 1.277 143 L HN 0.002 nan 8.230 nan 0.000 0.465 144 P HA -0.172 nan 4.420 nan 0.000 0.216 144 P C 0.661 177.945 177.300 -0.027 0.000 1.150 144 P CA 1.220 64.310 63.100 -0.016 0.000 0.843 144 P CB 0.244 31.936 31.700 -0.014 0.000 0.787 145 D N -1.726 118.658 120.400 -0.027 0.000 2.378 145 D HA -0.035 4.605 4.640 0.000 0.000 0.227 145 D C 0.532 176.806 176.300 -0.045 0.000 1.012 145 D CA 0.554 54.535 54.000 -0.033 0.000 0.905 145 D CB -0.750 40.035 40.800 -0.026 0.000 0.895 145 D HN 0.183 nan 8.370 nan 0.000 0.532 146 N N 1.335 120.006 118.700 -0.047 0.000 2.444 146 N HA -0.016 4.724 4.740 0.000 0.000 0.271 146 N C 0.853 176.293 175.510 -0.116 0.000 1.069 146 N CA -0.149 52.864 53.050 -0.061 0.000 0.965 146 N CB 1.362 39.826 38.487 -0.038 0.000 1.092 146 N HN -0.177 nan 8.380 nan 0.000 0.476 147 K N 2.156 122.437 120.400 -0.198 0.000 2.155 147 K HA -0.054 4.266 4.320 0.000 0.000 0.203 147 K C -0.278 175.994 176.600 -0.546 0.000 1.052 147 K CA 1.029 57.080 56.287 -0.394 0.000 0.948 147 K CB 0.083 32.258 32.500 -0.542 0.000 0.728 147 K HN 0.592 nan 8.250 nan 0.000 0.448 148 H N 1.030 120.063 119.070 -0.061 0.000 2.645 148 H HA 0.286 4.842 4.556 0.000 0.000 0.257 148 H C -2.582 172.673 175.328 -0.122 0.000 1.269 148 H CA -2.754 53.240 56.048 -0.091 0.000 1.409 148 H CB 1.031 30.736 29.762 -0.095 0.000 1.434 148 H HN 0.076 nan 8.280 nan 0.000 0.505 149 P HA 0.009 nan 4.420 nan 0.000 0.264 149 P C 0.411 177.621 177.300 -0.150 0.000 1.193 149 P CA 0.112 63.165 63.100 -0.078 0.000 0.763 149 P CB 0.802 32.457 31.700 -0.074 0.000 0.810 150 R N 1.830 122.226 120.500 -0.174 0.000 2.694 150 R HA 0.397 4.737 4.340 0.000 0.000 0.268 150 R C 0.972 177.133 176.300 -0.233 0.000 1.061 150 R CA 0.080 55.982 56.100 -0.330 0.000 1.133 150 R CB 0.220 30.442 30.300 -0.131 0.000 1.020 150 R HN 0.536 nan 8.270 nan 0.000 0.475 151 G N 2.759 111.389 108.800 -0.283 0.000 2.319 151 G HA2 0.494 4.454 3.960 0.000 0.000 0.308 151 G HA3 0.494 4.454 3.960 0.000 0.000 0.308 151 G C 0.083 175.040 174.900 0.095 0.000 1.117 151 G CA -0.582 44.484 45.100 -0.056 0.000 0.903 151 G HN 0.622 nan 8.290 nan 0.000 0.436 152 I N -0.085 120.485 120.570 -0.000 0.000 4.162 152 I HA 0.711 4.881 4.170 0.000 0.000 0.236 152 I C 1.798 177.878 176.117 -0.060 0.000 1.052 152 I CA -0.637 60.642 61.300 -0.035 0.000 1.457 152 I CB 0.642 38.620 38.000 -0.036 0.000 1.329 152 I HN 0.442 nan 8.210 nan 0.000 0.422 153 A N 1.007 123.792 122.820 -0.059 0.000 1.929 153 A HA -0.210 4.110 4.320 0.000 0.000 0.221 153 A C 2.119 179.661 177.584 -0.069 0.000 1.211 153 A CA 3.055 55.062 52.037 -0.050 0.000 0.657 153 A CB -2.026 16.965 19.000 -0.015 0.000 0.827 153 A HN 1.073 nan 8.150 nan 0.000 0.462 154 G N -1.555 107.203 108.800 -0.069 0.000 2.485 154 G HA2 -0.219 3.741 3.960 0.000 0.000 0.221 154 G HA3 -0.219 3.741 3.960 0.000 0.000 0.221 154 G C 1.469 176.279 174.900 -0.150 0.000 1.115 154 G CA 1.734 46.779 45.100 -0.092 0.000 0.751 154 G HN 0.480 nan 8.290 nan 0.000 0.567 155 T N 1.700 116.154 114.554 -0.167 0.000 2.685 155 T HA -0.277 4.073 4.350 0.000 0.000 0.268 155 T C 2.370 176.747 174.700 -0.539 0.000 1.034 155 T CA 1.658 63.593 62.100 -0.276 0.000 1.149 155 T CB -0.324 68.456 68.868 -0.146 0.000 0.860 155 T HN 0.657 nan 8.240 nan 0.000 0.449 156 I N -0.482 119.855 120.570 -0.389 0.000 2.493 156 I HA -0.019 4.151 4.170 0.000 0.000 0.254 156 I C 2.043 178.042 176.117 -0.197 0.000 1.160 156 I CA 1.367 62.446 61.300 -0.368 0.000 1.445 156 I CB -0.702 37.049 38.000 -0.415 0.000 1.086 156 I HN 0.146 nan 8.210 nan 0.000 0.433 157 L N 0.441 121.592 121.223 -0.120 0.000 2.201 157 L HA -0.092 4.248 4.340 0.000 0.000 0.212 157 L C 2.612 179.418 176.870 -0.108 0.000 1.105 157 L CA 0.595 55.418 54.840 -0.028 0.000 0.775 157 L CB -0.485 41.569 42.059 -0.007 0.000 0.913 157 L HN 0.206 nan 8.230 nan 0.000 0.440 158 V N -0.738 119.058 119.914 -0.196 0.000 2.453 158 V HA -0.257 3.863 4.120 0.000 0.000 0.247 158 V C 2.235 178.269 176.094 -0.100 0.000 1.048 158 V CA 1.594 63.795 62.300 -0.164 0.000 1.049 158 V CB -0.724 30.974 31.823 -0.210 0.000 0.672 158 V HN 0.478 nan 8.190 nan 0.000 0.457 159 H N -0.150 118.884 119.070 -0.060 0.000 2.352 159 H HA -0.213 4.343 4.556 0.000 0.000 0.299 159 H C 2.380 177.644 175.328 -0.108 0.000 1.097 159 H CA 1.695 57.709 56.048 -0.058 0.000 1.311 159 H CB 0.014 29.752 29.762 -0.040 0.000 1.377 159 H HN 0.201 nan 8.280 nan 0.000 0.504 160 K N 0.987 121.332 120.400 -0.092 0.000 2.020 160 K HA -0.129 4.191 4.320 0.000 0.000 0.212 160 K C 1.976 178.490 176.600 -0.144 0.000 1.050 160 K CA 1.232 57.346 56.287 -0.288 0.000 0.929 160 K CB -0.396 31.795 32.500 -0.514 0.000 0.714 160 K HN 0.220 nan 8.250 nan 0.000 0.443 161 I N 0.329 120.863 120.570 -0.059 0.000 2.202 161 I HA -0.199 3.971 4.170 0.000 0.000 0.242 161 I C 2.196 178.429 176.117 0.194 0.000 1.091 161 I CA 1.440 62.771 61.300 0.051 0.000 1.368 161 I CB -1.133 36.916 38.000 0.082 0.000 1.058 161 I HN 0.243 nan 8.210 nan 0.000 0.410 162 A N 0.942 123.845 122.820 0.138 0.000 1.883 162 A HA -0.155 4.165 4.320 0.000 0.000 0.217 162 A C 2.467 180.137 177.584 0.143 0.000 1.186 162 A CA 1.993 54.126 52.037 0.160 0.000 0.624 162 A CB -1.375 17.687 19.000 0.104 0.000 0.822 162 A HN 0.442 nan 8.150 nan 0.000 0.444 163 G N -1.709 107.131 108.800 0.067 0.000 2.440 163 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 163 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 163 G C 1.511 176.399 174.900 -0.020 0.000 1.154 163 G CA 1.307 46.412 45.100 0.008 0.000 0.767 163 G HN 0.594 nan 8.290 nan 0.000 0.552 164 Y N 0.945 121.143 120.300 -0.171 0.000 2.053 164 Y HA -0.217 4.333 4.550 0.000 0.000 0.277 164 Y C 2.480 178.201 175.900 -0.299 0.000 1.159 164 Y CA 2.136 60.050 58.100 -0.311 0.000 1.125 164 Y CB -0.513 37.639 38.460 -0.514 0.000 0.969 164 Y HN 0.176 nan 8.280 nan 0.000 0.492 165 F N -0.124 119.825 119.950 -0.002 0.000 2.134 165 F HA -0.136 4.391 4.527 0.000 0.000 0.299 165 F C 2.628 178.447 175.800 0.032 0.000 1.097 165 F CA 1.280 59.212 58.000 -0.113 0.000 1.264 165 F CB -1.272 37.609 39.000 -0.198 0.000 1.001 165 F HN 0.170 nan 8.300 nan 0.000 0.479 166 A N -0.168 122.757 122.820 0.174 0.000 1.902 166 A HA -0.174 4.146 4.320 0.000 0.000 0.217 166 A C 2.214 179.826 177.584 0.047 0.000 1.181 166 A CA 1.660 53.766 52.037 0.115 0.000 0.623 166 A CB -0.576 18.468 19.000 0.073 0.000 0.818 166 A HN 0.278 nan 8.150 nan 0.000 0.443 167 E N -0.064 120.116 120.200 -0.033 0.000 2.150 167 E HA -0.119 4.231 4.350 0.000 0.000 0.193 167 E C 1.471 178.023 176.600 -0.081 0.000 0.985 167 E CA 0.733 57.085 56.400 -0.080 0.000 0.814 167 E CB -0.201 29.412 29.700 -0.146 0.000 0.752 167 E HN 0.580 nan 8.360 nan 0.000 0.466 168 R N -0.088 120.367 120.500 -0.075 0.000 2.547 168 R HA 0.114 4.454 4.340 0.000 0.000 0.258 168 R C 1.013 177.312 176.300 -0.001 0.000 1.115 168 R CA 0.444 56.518 56.100 -0.044 0.000 1.152 168 R CB -0.085 30.184 30.300 -0.052 0.000 1.221 168 R HN 0.166 nan 8.270 nan 0.000 0.539 169 G N 0.372 109.182 108.800 0.017 0.000 2.186 169 G HA2 -0.349 3.611 3.960 0.000 0.000 0.266 169 G HA3 -0.349 3.611 3.960 0.000 0.000 0.266 169 G C -0.028 174.873 174.900 0.002 0.000 0.982 169 G CA 0.268 45.359 45.100 -0.014 0.000 0.670 169 G HN 0.353 nan 8.290 nan 0.000 0.533 170 Y N 1.162 121.488 120.300 0.043 0.000 2.426 170 Y HA 0.314 4.864 4.550 0.000 0.000 0.344 170 Y C 1.293 177.216 175.900 0.039 0.000 1.256 170 Y CA 0.108 58.248 58.100 0.067 0.000 1.451 170 Y CB 0.351 38.901 38.460 0.151 0.000 1.342 170 Y HN 0.517 nan 8.280 nan 0.000 0.600 171 N N 0.595 119.401 118.700 0.177 0.000 2.467 171 N HA 0.080 4.820 4.740 0.000 0.000 0.262 171 N C 0.649 176.208 175.510 0.083 0.000 1.234 171 N CA -0.552 52.555 53.050 0.095 0.000 0.952 171 N CB 0.489 39.009 38.487 0.056 0.000 1.158 171 N HN 0.615 nan 8.380 nan 0.000 0.463 172 L N 1.016 122.273 121.223 0.057 0.000 2.010 172 L HA -0.251 4.089 4.340 0.000 0.000 0.219 172 L C 2.188 179.071 176.870 0.021 0.000 1.077 172 L CA 2.534 57.399 54.840 0.043 0.000 0.773 172 L CB -1.494 40.588 42.059 0.038 0.000 0.892 172 L HN 0.825 nan 8.230 nan 0.000 0.436 173 A N -2.044 120.784 122.820 0.014 0.000 1.917 173 A HA -0.262 4.058 4.320 0.000 0.000 0.219 173 A C 2.261 179.823 177.584 -0.037 0.000 1.182 173 A CA 2.592 54.624 52.037 -0.007 0.000 0.633 173 A CB -1.246 17.751 19.000 -0.004 0.000 0.819 173 A HN 0.587 nan 8.150 nan 0.000 0.448 174 T N -0.551 113.985 114.554 -0.031 0.000 2.812 174 T HA -0.068 4.282 4.350 0.000 0.000 0.264 174 T C 1.908 176.482 174.700 -0.209 0.000 1.042 174 T CA 1.354 63.385 62.100 -0.116 0.000 1.140 174 T CB -0.436 68.421 68.868 -0.018 0.000 0.870 174 T HN 0.177 nan 8.240 nan 0.000 0.445 175 V N 1.991 121.857 119.914 -0.079 0.000 2.233 175 V HA -0.165 3.955 4.120 0.000 0.000 0.247 175 V C 2.441 178.496 176.094 -0.065 0.000 1.050 175 V CA 1.667 63.942 62.300 -0.042 0.000 1.010 175 V CB -0.868 30.986 31.823 0.051 0.000 0.637 175 V HN 0.333 nan 8.190 nan 0.000 0.444 176 L N 0.322 121.521 121.223 -0.041 0.000 2.013 176 L HA -0.205 4.135 4.340 0.000 0.000 0.212 176 L C 2.574 179.408 176.870 -0.059 0.000 1.073 176 L CA 2.261 57.080 54.840 -0.035 0.000 0.753 176 L CB -0.845 41.202 42.059 -0.021 0.000 0.890 176 L HN 0.213 nan 8.230 nan 0.000 0.432 177 R N -0.635 119.808 120.500 -0.095 0.000 2.097 177 R HA -0.194 4.146 4.340 0.000 0.000 0.236 177 R C 2.176 178.406 176.300 -0.117 0.000 1.135 177 R CA 1.987 58.020 56.100 -0.111 0.000 0.934 177 R CB -0.300 29.906 30.300 -0.158 0.000 0.846 177 R HN 0.471 nan 8.270 nan 0.000 0.431 178 E N 0.119 120.176 120.200 -0.237 0.000 2.077 178 E HA -0.166 4.184 4.350 0.000 0.000 0.193 178 E C 1.902 178.501 176.600 -0.002 0.000 0.989 178 E CA 1.262 57.535 56.400 -0.213 0.000 0.800 178 E CB -0.334 28.963 29.700 -0.672 0.000 0.746 178 E HN 0.463 nan 8.360 nan 0.000 0.452 179 A N 1.322 124.131 122.820 -0.019 0.000 1.908 179 A HA -0.268 4.052 4.320 0.000 0.000 0.218 179 A C 2.218 179.798 177.584 -0.006 0.000 1.181 179 A CA 2.076 54.119 52.037 0.010 0.000 0.627 179 A CB -0.530 18.474 19.000 0.006 0.000 0.818 179 A HN 0.194 nan 8.150 nan 0.000 0.445 180 Q N -1.603 118.195 119.800 -0.003 0.000 2.119 180 Q HA -0.190 4.150 4.340 0.000 0.000 0.201 180 Q C 1.820 177.834 176.000 0.024 0.000 0.972 180 Q CA 2.099 57.898 55.803 -0.006 0.000 0.847 180 Q CB -0.649 28.088 28.738 -0.002 0.000 0.903 180 Q HN 0.680 nan 8.270 nan 0.000 0.433 181 Y N 0.136 120.390 120.300 -0.077 0.000 2.181 181 Y HA -0.138 4.412 4.550 0.000 0.000 0.288 181 Y C 2.030 177.896 175.900 -0.057 0.000 1.146 181 Y CA 1.660 59.722 58.100 -0.063 0.000 1.164 181 Y CB -0.750 37.669 38.460 -0.068 0.000 0.982 181 Y HN 0.208 nan 8.280 nan 0.000 0.515 182 A N 0.307 123.094 122.820 -0.056 0.000 1.873 182 A HA -0.086 4.234 4.320 0.000 0.000 0.215 182 A C 2.490 179.956 177.584 -0.197 0.000 1.186 182 A CA 1.979 53.932 52.037 -0.140 0.000 0.616 182 A CB -1.559 17.412 19.000 -0.047 0.000 0.823 182 A HN 0.567 nan 8.150 nan 0.000 0.442 183 A N -0.284 122.439 122.820 -0.161 0.000 1.873 183 A HA -0.171 4.149 4.320 0.000 0.000 0.218 183 A C 2.390 179.802 177.584 -0.287 0.000 1.193 183 A CA 2.335 54.251 52.037 -0.202 0.000 0.629 183 A CB -1.192 17.718 19.000 -0.150 0.000 0.826 183 A HN 0.487 nan 8.150 nan 0.000 0.447 184 S N 0.136 115.692 115.700 -0.241 0.000 2.465 184 S HA -0.100 4.370 4.470 0.000 0.000 0.241 184 S C 1.216 175.615 174.600 -0.335 0.000 1.000 184 S CA 1.101 59.150 58.200 -0.251 0.000 0.964 184 S CB -0.360 62.759 63.200 -0.135 0.000 0.763 184 S HN 0.632 nan 8.310 nan 0.000 0.512 185 N N 1.015 119.498 118.700 -0.361 0.000 2.238 185 N HA 0.109 4.849 4.740 0.000 0.000 0.222 185 N C -0.805 174.550 175.510 -0.258 0.000 1.133 185 N CA 0.200 53.120 53.050 -0.216 0.000 0.854 185 N CB 0.975 39.311 38.487 -0.252 0.000 1.041 185 N HN 0.181 nan 8.380 nan 0.000 0.510 186 T N 0.884 115.057 114.554 -0.635 0.000 2.792 186 T HA 0.524 4.874 4.350 0.000 0.000 0.280 186 T C -0.770 173.420 174.700 -0.851 0.000 0.990 186 T CA -0.260 61.556 62.100 -0.474 0.000 0.960 186 T CB 0.775 69.472 68.868 -0.284 0.000 0.939 186 T HN -0.090 nan 8.240 nan 0.000 0.439 187 F N 1.219 121.144 119.950 -0.043 0.000 2.539 187 F HA 0.640 5.167 4.527 0.000 0.000 0.318 187 F C 0.406 176.192 175.800 -0.023 0.000 1.135 187 F CA -0.844 57.135 58.000 -0.035 0.000 0.915 187 F CB 2.074 41.056 39.000 -0.030 0.000 1.176 187 F HN 0.391 nan 8.300 nan 0.000 0.440 188 S N 3.191 118.948 115.700 0.095 0.000 2.548 188 S HA 0.833 5.303 4.470 0.000 0.000 0.286 188 S C -1.810 172.817 174.600 0.044 0.000 1.098 188 S CA -0.650 57.584 58.200 0.057 0.000 0.930 188 S CB 2.374 65.579 63.200 0.007 0.000 1.070 188 S HN 0.518 nan 8.310 nan 0.000 0.480 189 L N 1.835 123.076 121.223 0.030 0.000 2.470 189 L HA 0.817 5.157 4.340 0.000 0.000 0.268 189 L C -0.202 176.638 176.870 -0.050 0.000 0.964 189 L CA 0.126 54.964 54.840 -0.002 0.000 0.839 189 L CB 1.364 43.428 42.059 0.009 0.000 1.276 189 L HN 0.812 nan 8.230 nan 0.000 0.403 190 G N 2.589 111.337 108.800 -0.087 0.000 2.511 190 G HA2 0.727 4.687 3.960 0.000 0.000 0.318 190 G HA3 0.727 4.687 3.960 0.000 0.000 0.318 190 G C -1.827 172.935 174.900 -0.230 0.000 1.210 190 G CA -0.631 44.367 45.100 -0.170 0.000 0.969 190 G HN 0.773 nan 8.290 nan 0.000 0.484 191 V N -0.664 119.026 119.914 -0.375 0.000 3.012 191 V HA 0.861 4.981 4.120 0.000 0.000 0.307 191 V C -0.943 175.001 176.094 -0.249 0.000 1.166 191 V CA -0.065 62.048 62.300 -0.312 0.000 0.974 191 V CB 1.839 33.419 31.823 -0.405 0.000 1.040 191 V HN 1.696 nan 8.190 nan 0.000 0.428 192 A N 4.953 127.717 122.820 -0.093 0.000 2.515 192 A HA 0.752 5.072 4.320 0.000 0.000 0.298 192 A C -0.220 177.391 177.584 0.045 0.000 1.059 192 A CA -0.517 51.508 52.037 -0.020 0.000 0.698 192 A CB 1.902 20.899 19.000 -0.005 0.000 1.289 192 A HN 0.917 nan 8.150 nan 0.000 0.404 193 L N 0.735 122.003 121.223 0.076 0.000 2.416 193 L HA 0.196 4.536 4.340 0.000 0.000 0.216 193 L C 0.734 177.691 176.870 0.144 0.000 1.098 193 L CA 1.125 56.041 54.840 0.126 0.000 0.840 193 L CB 0.027 42.168 42.059 0.137 0.000 0.981 193 L HN 0.853 nan 8.230 nan 0.000 0.462 194 S N -2.757 112.983 115.700 0.067 0.000 2.552 194 S HA 0.344 4.814 4.470 0.000 0.000 0.272 194 S C -0.567 174.023 174.600 -0.018 0.000 1.150 194 S CA -0.747 57.467 58.200 0.023 0.000 0.849 194 S CB 1.981 65.170 63.200 -0.018 0.000 1.113 194 S HN -0.054 nan 8.310 nan 0.000 0.458 195 S N -0.258 115.419 115.700 -0.039 0.000 2.625 195 S HA 0.571 5.041 4.470 0.000 0.000 0.258 195 S C 0.733 175.294 174.600 -0.065 0.000 1.256 195 S CA -0.002 58.186 58.200 -0.021 0.000 0.983 195 S CB -0.360 62.840 63.200 -0.001 0.000 1.032 195 S HN 1.412 nan 8.310 nan 0.000 0.572 196 C N 0.068 119.366 119.300 -0.003 0.000 2.335 196 C HA 0.701 5.161 4.460 0.000 0.000 0.363 196 C C -0.117 174.832 174.990 -0.068 0.000 1.198 196 C CA -1.012 57.996 59.018 -0.018 0.000 2.279 196 C CB -0.814 27.017 27.740 0.152 0.000 2.334 196 C HN 0.882 nan 8.230 nan 0.000 0.559 197 H N 0.404 119.548 119.070 0.124 0.000 2.580 197 H HA 0.549 5.105 4.556 0.000 0.000 0.322 197 H C -0.116 175.325 175.328 0.189 0.000 1.082 197 H CA 0.034 56.165 56.048 0.138 0.000 1.383 197 H CB 0.578 30.422 29.762 0.137 0.000 1.450 197 H HN 0.516 nan 8.280 nan 0.000 0.505 198 L N 5.476 126.810 121.223 0.186 0.000 2.360 198 L HA 0.289 4.629 4.340 0.000 0.000 0.271 198 L C -1.633 175.104 176.870 -0.222 0.000 1.057 198 L CA -2.114 52.697 54.840 -0.048 0.000 0.803 198 L CB 1.322 43.334 42.059 -0.079 0.000 1.207 198 L HN 0.578 nan 8.230 nan 0.000 0.445 199 P HA 0.016 nan 4.420 nan 0.000 0.228 199 P C -1.164 175.778 177.300 -0.596 0.000 1.748 199 P CA 0.138 62.551 63.100 -1.144 0.000 0.909 199 P CB -0.057 30.424 31.700 -2.032 0.000 1.882 200 Q N -1.378 118.292 119.800 -0.215 0.000 2.756 200 Q HA 0.297 4.638 4.340 0.000 0.000 0.295 200 Q C -1.445 174.553 176.000 -0.005 0.000 0.903 200 Q CA -0.969 54.780 55.803 -0.089 0.000 0.768 200 Q CB 0.824 29.480 28.738 -0.137 0.000 1.472 200 Q HN -0.032 nan 8.270 nan 0.000 0.416 201 E N 1.118 121.325 120.200 0.012 0.000 2.344 201 E HA 0.283 4.633 4.350 0.000 0.000 0.270 201 E C -0.709 175.898 176.600 0.013 0.000 1.021 201 E CA 0.413 56.825 56.400 0.020 0.000 0.887 201 E CB 0.848 30.558 29.700 0.017 0.000 0.997 201 E HN 0.611 nan 8.360 nan 0.000 0.429 202 T N 0.345 114.913 114.554 0.023 0.000 2.858 202 T HA 0.243 4.593 4.350 0.000 0.000 0.285 202 T C 0.535 175.249 174.700 0.025 0.000 1.052 202 T CA -0.827 61.287 62.100 0.024 0.000 1.009 202 T CB 1.315 70.204 68.868 0.035 0.000 1.241 202 T HN 0.330 nan 8.240 nan 0.000 0.542 203 D N 0.351 120.766 120.400 0.025 0.000 2.183 203 D HA 0.289 4.929 4.640 0.000 0.000 0.205 203 D C 0.659 176.976 176.300 0.027 0.000 0.962 203 D CA 0.882 54.896 54.000 0.024 0.000 0.849 203 D CB 0.394 41.208 40.800 0.022 0.000 0.978 203 D HN 0.807 nan 8.370 nan 0.000 0.488 204 A N -0.196 122.644 122.820 0.033 0.000 2.572 204 A HA 0.640 4.960 4.320 0.000 0.000 0.295 204 A C -0.572 177.037 177.584 0.042 0.000 1.072 204 A CA -0.245 51.813 52.037 0.035 0.000 0.691 204 A CB 1.364 20.384 19.000 0.033 0.000 1.291 204 A HN 0.076 nan 8.150 nan 0.000 0.404 205 A N 1.308 124.155 122.820 0.045 0.000 2.521 205 A HA 0.514 4.834 4.320 0.000 0.000 0.237 205 A C -2.136 175.464 177.584 0.026 0.000 1.087 205 A CA -0.305 51.764 52.037 0.053 0.000 0.777 205 A CB -1.096 17.933 19.000 0.049 0.000 1.035 205 A HN 0.601 nan 8.150 nan 0.000 0.510 206 P HA 0.109 nan 4.420 nan 0.000 0.265 206 P C 0.035 177.320 177.300 -0.026 0.000 1.193 206 P CA -0.091 62.979 63.100 -0.050 0.000 0.765 206 P CB 0.314 31.906 31.700 -0.180 0.000 0.823 207 R N 2.714 123.198 120.500 -0.026 0.000 2.583 207 R HA 0.025 4.365 4.340 0.000 0.000 0.274 207 R C -0.370 175.871 176.300 -0.098 0.000 0.998 207 R CA 0.595 56.656 56.100 -0.066 0.000 1.081 207 R CB -0.157 30.102 30.300 -0.068 0.000 0.940 207 R HN 0.683 nan 8.270 nan 0.000 0.413 208 H N 2.602 121.479 119.070 -0.323 0.000 3.087 208 H HA 0.260 4.816 4.556 0.000 0.000 0.348 208 H C -1.659 173.444 175.328 -0.376 0.000 1.092 208 H CA -0.768 55.084 56.048 -0.325 0.000 1.285 208 H CB 0.930 30.607 29.762 -0.141 0.000 1.875 208 H HN 0.635 nan 8.280 nan 0.000 0.512 209 H N 5.139 123.886 119.070 -0.539 0.000 2.725 209 H HA 0.258 4.814 4.556 0.000 0.000 0.283 209 H C -2.555 172.375 175.328 -0.663 0.000 1.110 209 H CA -2.261 53.529 56.048 -0.429 0.000 1.289 209 H CB 0.820 30.534 29.762 -0.081 0.000 1.400 209 H HN 0.502 nan 8.280 nan 0.000 0.493 210 P HA -0.125 nan 4.420 nan 0.000 0.259 210 P C 1.229 178.269 177.300 -0.433 0.000 1.155 210 P CA 1.663 64.533 63.100 -0.384 0.000 0.759 210 P CB 0.355 31.945 31.700 -0.184 0.000 0.753 211 G N 1.520 110.200 108.800 -0.199 0.000 2.228 211 G HA2 -0.285 3.675 3.960 0.000 0.000 0.270 211 G HA3 -0.285 3.675 3.960 0.000 0.000 0.270 211 G C 0.166 175.028 174.900 -0.062 0.000 0.976 211 G CA 0.436 45.434 45.100 -0.169 0.000 0.636 211 G HN 0.700 nan 8.290 nan 0.000 0.542 212 H N -0.443 118.642 119.070 0.025 0.000 2.713 212 H HA 0.770 5.326 4.556 0.000 0.000 0.340 212 H C 0.210 175.579 175.328 0.069 0.000 1.271 212 H CA -0.672 55.397 56.048 0.034 0.000 1.306 212 H CB 1.839 31.607 29.762 0.010 0.000 1.839 212 H HN 0.622 nan 8.280 nan 0.000 0.627 213 A N 0.803 123.751 122.820 0.214 0.000 2.398 213 A HA 0.256 4.576 4.320 0.000 0.000 0.301 213 A C -0.920 176.742 177.584 0.130 0.000 1.041 213 A CA -0.651 51.479 52.037 0.154 0.000 0.711 213 A CB 1.251 20.311 19.000 0.099 0.000 1.240 213 A HN 0.781 nan 8.150 nan 0.000 0.420 214 E N 2.409 122.713 120.200 0.174 0.000 2.052 214 E HA 0.350 4.700 4.350 0.000 0.000 0.283 214 E C -0.871 175.748 176.600 0.032 0.000 1.071 214 E CA -0.520 55.961 56.400 0.135 0.000 0.851 214 E CB 0.460 30.303 29.700 0.239 0.000 1.066 214 E HN 0.599 nan 8.360 nan 0.000 0.396 215 L N 4.916 126.136 121.223 -0.004 0.000 2.367 215 L HA 0.354 4.694 4.340 0.000 0.000 0.275 215 L C 1.006 177.859 176.870 -0.028 0.000 1.129 215 L CA 1.450 56.268 54.840 -0.037 0.000 0.839 215 L CB 0.820 42.856 42.059 -0.038 0.000 1.133 215 L HN 0.785 nan 8.230 nan 0.000 0.453 216 G N 3.834 112.607 108.800 -0.044 0.000 2.143 216 G HA2 -0.324 3.636 3.960 0.000 0.000 0.249 216 G HA3 -0.324 3.636 3.960 0.000 0.000 0.249 216 G C 0.431 175.325 174.900 -0.010 0.000 0.981 216 G CA 0.294 45.378 45.100 -0.027 0.000 0.665 216 G HN 0.768 nan 8.290 nan 0.000 0.528 217 M N 1.562 121.157 119.600 -0.008 0.000 2.260 217 M HA 0.435 4.915 4.480 0.000 0.000 0.348 217 M C 1.191 177.488 176.300 -0.004 0.000 1.342 217 M CA 0.828 56.133 55.300 0.009 0.000 1.040 217 M CB 0.193 32.802 32.600 0.015 0.000 1.810 217 M HN 0.402 nan 8.290 nan 0.000 0.453 218 G N 4.246 113.052 108.800 0.010 0.000 2.636 218 G HA2 0.297 4.257 3.960 0.000 0.000 0.246 218 G HA3 0.297 4.257 3.960 0.000 0.000 0.246 218 G C 0.711 175.559 174.900 -0.087 0.000 1.216 218 G CA -0.618 44.483 45.100 0.001 0.000 0.854 218 G HN 1.032 nan 8.290 nan 0.000 0.572 219 I N -2.301 118.148 120.570 -0.203 0.000 3.334 219 I HA 0.120 4.290 4.170 0.000 0.000 0.282 219 I C 0.985 176.708 176.117 -0.657 0.000 1.313 219 I CA 0.663 61.751 61.300 -0.353 0.000 1.396 219 I CB -0.263 37.436 38.000 -0.502 0.000 1.054 219 I HN 0.463 nan 8.210 nan 0.000 0.495 220 H N 0.917 119.739 119.070 -0.414 0.000 2.784 220 H HA 0.423 4.979 4.556 0.000 0.000 0.273 220 H C 1.452 176.582 175.328 -0.330 0.000 1.112 220 H CA 0.375 55.912 56.048 -0.851 0.000 1.162 220 H CB 1.051 30.397 29.762 -0.693 0.000 1.586 220 H HN 0.445 nan 8.280 nan 0.000 0.548 221 G N 0.957 109.715 108.800 -0.070 0.000 2.157 221 G HA2 -0.304 3.656 3.960 0.000 0.000 0.248 221 G HA3 -0.304 3.656 3.960 0.000 0.000 0.248 221 G C -0.071 174.854 174.900 0.042 0.000 0.979 221 G CA -0.112 45.008 45.100 0.032 0.000 0.650 221 G HN 0.387 nan 8.290 nan 0.000 0.529 222 E N 1.130 121.355 120.200 0.042 0.000 2.436 222 E HA 0.387 4.737 4.350 0.000 0.000 0.262 222 E C -1.994 174.638 176.600 0.055 0.000 1.063 222 E CA -0.847 55.590 56.400 0.061 0.000 0.944 222 E CB 0.296 30.051 29.700 0.091 0.000 0.950 222 E HN 0.241 nan 8.360 nan 0.000 0.444 223 P HA 0.006 nan 4.420 nan 0.000 0.266 223 P C -0.029 177.298 177.300 0.046 0.000 1.195 223 P CA 0.374 63.508 63.100 0.057 0.000 0.768 223 P CB 0.719 32.449 31.700 0.050 0.000 0.838 224 G N 1.428 110.256 108.800 0.046 0.000 2.510 224 G HA2 0.390 4.350 3.960 0.000 0.000 0.280 224 G HA3 0.390 4.350 3.960 0.000 0.000 0.280 224 G C 0.804 175.710 174.900 0.011 0.000 1.386 224 G CA 0.044 45.159 45.100 0.026 0.000 1.047 224 G HN 0.445 nan 8.290 nan 0.000 0.527 225 A N -1.782 121.036 122.820 -0.003 0.000 2.095 225 A HA 0.544 4.864 4.320 0.000 0.000 0.212 225 A C 1.168 178.737 177.584 -0.024 0.000 1.162 225 A CA 1.542 53.572 52.037 -0.012 0.000 0.753 225 A CB -0.130 18.861 19.000 -0.015 0.000 0.840 225 A HN 1.297 nan 8.150 nan 0.000 0.468 226 S N -2.634 113.047 115.700 -0.031 0.000 2.656 226 S HA 0.478 4.948 4.470 0.000 0.000 0.265 226 S C -2.097 172.458 174.600 -0.074 0.000 1.132 226 S CA -0.168 57.998 58.200 -0.056 0.000 0.819 226 S CB 0.794 63.962 63.200 -0.053 0.000 1.119 226 S HN 0.414 nan 8.310 nan 0.000 0.476 227 V N 2.624 122.467 119.914 -0.118 0.000 2.483 227 V HA 0.564 4.684 4.120 0.000 0.000 0.297 227 V C -1.035 174.976 176.094 -0.139 0.000 1.027 227 V CA -0.651 61.558 62.300 -0.152 0.000 0.855 227 V CB 1.353 32.996 31.823 -0.301 0.000 0.995 227 V HN 0.713 nan 8.190 nan 0.000 0.424 228 I N 4.644 125.166 120.570 -0.080 0.000 2.395 228 I HA 0.259 4.429 4.170 0.000 0.000 0.289 228 I C 1.196 177.240 176.117 -0.122 0.000 1.023 228 I CA -0.890 60.365 61.300 -0.075 0.000 1.350 228 I CB 1.154 39.147 38.000 -0.011 0.000 1.409 228 I HN 0.766 nan 8.210 nan 0.000 0.507 229 D N 2.664 122.945 120.400 -0.198 0.000 2.348 229 D HA -0.038 4.602 4.640 0.000 0.000 0.248 229 D C 0.399 176.751 176.300 0.087 0.000 1.142 229 D CA 0.245 54.061 54.000 -0.307 0.000 0.904 229 D CB 0.055 40.700 40.800 -0.258 0.000 0.901 229 D HN 0.466 nan 8.370 nan 0.000 0.523 230 T N -1.287 113.338 114.554 0.120 0.000 2.802 230 T HA 0.247 4.597 4.350 0.000 0.000 0.311 230 T C -0.711 174.065 174.700 0.126 0.000 1.405 230 T CA -0.541 61.643 62.100 0.140 0.000 1.016 230 T CB 1.672 70.589 68.868 0.081 0.000 1.352 230 T HN -0.082 nan 8.240 nan 0.000 0.498 231 Q N 0.799 120.667 119.800 0.113 0.000 2.189 231 Q HA 0.229 4.569 4.340 0.000 0.000 0.223 231 Q C 0.386 176.445 176.000 0.099 0.000 0.828 231 Q CA -0.386 55.483 55.803 0.111 0.000 0.967 231 Q CB 0.394 29.197 28.738 0.108 0.000 1.139 231 Q HN 0.543 nan 8.270 nan 0.000 0.497 232 N N 1.655 120.403 118.700 0.081 0.000 2.374 232 N HA -0.084 4.656 4.740 0.000 0.000 0.269 232 N C 0.966 176.521 175.510 0.075 0.000 1.310 232 N CA 0.540 53.629 53.050 0.065 0.000 0.877 232 N CB 1.009 39.526 38.487 0.051 0.000 1.096 232 N HN 0.196 nan 8.380 nan 0.000 0.484 233 S N 4.036 119.775 115.700 0.066 0.000 2.374 233 S HA -0.228 4.242 4.470 0.000 0.000 0.227 233 S C 1.929 176.565 174.600 0.059 0.000 1.037 233 S CA 1.208 59.447 58.200 0.066 0.000 1.024 233 S CB -0.447 62.764 63.200 0.019 0.000 0.861 233 S HN 0.671 nan 8.310 nan 0.000 0.456 234 A N 1.643 124.486 122.820 0.038 0.000 1.873 234 A HA -0.081 4.239 4.320 0.000 0.000 0.215 234 A C 2.385 179.995 177.584 0.043 0.000 1.186 234 A CA 1.452 53.507 52.037 0.031 0.000 0.616 234 A CB -0.831 18.179 19.000 0.016 0.000 0.823 234 A HN 0.641 nan 8.150 nan 0.000 0.442 235 Q N -0.435 119.391 119.800 0.044 0.000 2.050 235 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 235 Q C 2.176 178.210 176.000 0.057 0.000 0.980 235 Q CA 1.757 57.586 55.803 0.042 0.000 0.840 235 Q CB -0.411 28.349 28.738 0.037 0.000 0.898 235 Q HN 0.471 nan 8.270 nan 0.000 0.424 236 V N 0.289 120.252 119.914 0.082 0.000 2.287 236 V HA -0.243 3.877 4.120 0.000 0.000 0.248 236 V C 2.224 178.399 176.094 0.135 0.000 1.053 236 V CA 1.548 63.912 62.300 0.107 0.000 1.027 236 V CB -0.504 31.413 31.823 0.157 0.000 0.646 236 V HN 0.199 nan 8.190 nan 0.000 0.447 237 V N 0.518 120.527 119.914 0.159 0.000 2.427 237 V HA -0.198 3.922 4.120 0.000 0.000 0.248 237 V C 2.304 178.456 176.094 0.097 0.000 1.051 237 V CA 1.932 64.330 62.300 0.164 0.000 1.048 237 V CB -0.794 31.099 31.823 0.117 0.000 0.666 237 V HN 0.571 nan 8.190 nan 0.000 0.456 238 N N 0.120 118.859 118.700 0.064 0.000 2.188 238 N HA -0.112 4.628 4.740 0.000 0.000 0.184 238 N C 1.717 177.248 175.510 0.035 0.000 1.018 238 N CA 1.169 54.244 53.050 0.042 0.000 0.858 238 N CB -0.399 38.105 38.487 0.029 0.000 0.989 238 N HN 0.386 nan 8.380 nan 0.000 0.426 239 L N 1.142 122.386 121.223 0.036 0.000 2.017 239 L HA -0.022 4.318 4.340 0.000 0.000 0.208 239 L C 2.082 178.965 176.870 0.022 0.000 1.073 239 L CA 1.513 56.366 54.840 0.021 0.000 0.745 239 L CB -0.704 41.365 42.059 0.017 0.000 0.894 239 L HN 0.085 nan 8.230 nan 0.000 0.432 240 M N -1.762 117.862 119.600 0.039 0.000 2.117 240 M HA -0.185 4.295 4.480 0.000 0.000 0.262 240 M C 2.099 178.422 176.300 0.039 0.000 1.065 240 M CA 1.561 56.884 55.300 0.039 0.000 1.114 240 M CB -0.368 32.274 32.600 0.069 0.000 1.361 240 M HN 0.160 nan 8.290 nan 0.000 0.408 241 V N 0.438 120.380 119.914 0.047 0.000 2.407 241 V HA -0.274 3.846 4.120 0.000 0.000 0.248 241 V C 1.810 177.910 176.094 0.010 0.000 1.055 241 V CA 1.735 64.055 62.300 0.034 0.000 1.049 241 V CB -0.735 31.111 31.823 0.039 0.000 0.662 241 V HN 0.415 nan 8.190 nan 0.000 0.455 242 D N 0.336 120.740 120.400 0.007 0.000 2.087 242 D HA -0.177 4.463 4.640 0.000 0.000 0.192 242 D C 2.238 178.527 176.300 -0.019 0.000 0.993 242 D CA 1.417 55.413 54.000 -0.007 0.000 0.828 242 D CB -0.244 40.553 40.800 -0.006 0.000 0.968 242 D HN 0.423 nan 8.370 nan 0.000 0.448 243 K N 0.314 120.707 120.400 -0.013 0.000 2.103 243 K HA -0.102 4.218 4.320 0.000 0.000 0.207 243 K C 2.377 178.959 176.600 -0.030 0.000 1.048 243 K CA 0.538 56.814 56.287 -0.018 0.000 0.930 243 K CB -0.147 32.348 32.500 -0.008 0.000 0.716 243 K HN 0.159 nan 8.250 nan 0.000 0.444 244 L N 0.774 121.984 121.223 -0.021 0.000 2.027 244 L HA -0.174 4.166 4.340 0.000 0.000 0.206 244 L C 2.333 179.137 176.870 -0.111 0.000 1.074 244 L CA 1.008 55.824 54.840 -0.041 0.000 0.745 244 L CB -0.313 41.746 42.059 0.001 0.000 0.898 244 L HN 0.188 nan 8.230 nan 0.000 0.433 245 L N -0.529 120.646 121.223 -0.080 0.000 2.083 245 L HA -0.202 4.138 4.340 0.000 0.000 0.209 245 L C 2.746 179.544 176.870 -0.120 0.000 1.083 245 L CA 1.087 55.869 54.840 -0.097 0.000 0.752 245 L CB -0.635 41.390 42.059 -0.056 0.000 0.899 245 L HN 0.262 nan 8.230 nan 0.000 0.433 246 A N -0.405 122.357 122.820 -0.097 0.000 2.067 246 A HA -0.034 4.286 4.320 0.000 0.000 0.219 246 A C 2.323 179.826 177.584 -0.134 0.000 1.158 246 A CA 1.554 53.536 52.037 -0.092 0.000 0.661 246 A CB -0.365 18.599 19.000 -0.059 0.000 0.801 246 A HN 0.418 nan 8.150 nan 0.000 0.452 247 A N -1.108 121.589 122.820 -0.206 0.000 2.115 247 A HA 0.508 4.828 4.320 0.000 0.000 0.211 247 A C 0.896 178.085 177.584 -0.658 0.000 1.169 247 A CA -0.147 51.697 52.037 -0.322 0.000 0.787 247 A CB -0.103 18.753 19.000 -0.240 0.000 0.858 247 A HN 0.385 nan 8.150 nan 0.000 0.474 248 L N 0.538 121.403 121.223 -0.597 0.000 2.456 248 L HA 0.316 4.656 4.340 0.000 0.000 0.257 248 L C -2.182 174.505 176.870 -0.305 0.000 1.162 248 L CA -2.070 52.411 54.840 -0.598 0.000 0.808 248 L CB 0.301 42.131 42.059 -0.381 0.000 1.136 248 L HN 0.028 nan 8.230 nan 0.000 0.466 249 P HA -0.015 nan 4.420 nan 0.000 0.270 249 P C 0.030 177.276 177.300 -0.091 0.000 1.223 249 P CA -0.304 62.732 63.100 -0.106 0.000 0.785 249 P CB 0.418 32.085 31.700 -0.056 0.000 0.923 250 E N 0.210 120.372 120.200 -0.063 0.000 2.418 250 E HA -0.054 4.296 4.350 0.000 0.000 0.197 250 E C 0.043 176.618 176.600 -0.042 0.000 1.026 250 E CA 0.529 56.898 56.400 -0.053 0.000 0.862 250 E CB -0.153 29.523 29.700 -0.040 0.000 0.799 250 E HN 0.510 nan 8.360 nan 0.000 0.518 251 T N -3.228 111.306 114.554 -0.035 0.000 2.864 251 T HA 0.660 5.010 4.350 0.000 0.000 0.299 251 T C -0.036 174.653 174.700 -0.017 0.000 1.166 251 T CA -0.353 61.732 62.100 -0.025 0.000 1.007 251 T CB 2.010 70.869 68.868 -0.016 0.000 1.219 251 T HN 0.514 nan 8.240 nan 0.000 0.506 252 G N 1.130 109.923 108.800 -0.011 0.000 2.465 252 G HA2 0.306 4.266 3.960 0.000 0.000 0.681 252 G HA3 0.306 4.266 3.960 0.000 0.000 0.681 252 G C -1.175 173.727 174.900 0.003 0.000 1.340 252 G CA -1.251 43.850 45.100 0.002 0.000 0.884 252 G HN 0.761 nan 8.290 nan 0.000 0.650 253 R N -0.622 119.890 120.500 0.019 0.000 2.679 253 R HA 0.751 5.091 4.340 0.000 0.000 0.269 253 R C 0.349 176.678 176.300 0.048 0.000 1.076 253 R CA -0.327 55.789 56.100 0.026 0.000 1.160 253 R CB 0.187 30.513 30.300 0.042 0.000 1.054 253 R HN 0.571 nan 8.270 nan 0.000 0.507 254 L N 0.130 121.388 121.223 0.058 0.000 2.434 254 L HA 0.634 4.974 4.340 0.000 0.000 0.260 254 L C -0.523 176.426 176.870 0.133 0.000 0.983 254 L CA -1.143 53.747 54.840 0.083 0.000 0.820 254 L CB 2.300 44.392 42.059 0.054 0.000 1.361 254 L HN 0.603 nan 8.230 nan 0.000 0.410 255 A N 2.116 125.029 122.820 0.156 0.000 2.318 255 A HA 0.836 5.156 4.320 0.000 0.000 0.324 255 A C -0.881 176.786 177.584 0.139 0.000 1.170 255 A CA -0.522 51.636 52.037 0.201 0.000 0.810 255 A CB 1.396 20.515 19.000 0.198 0.000 1.198 255 A HN 0.375 nan 8.150 nan 0.000 0.484 256 V N 3.623 123.615 119.914 0.130 0.000 2.487 256 V HA 0.477 4.597 4.120 0.000 0.000 0.298 256 V C -0.116 176.026 176.094 0.079 0.000 1.028 256 V CA -0.348 62.010 62.300 0.097 0.000 0.860 256 V CB 1.633 33.507 31.823 0.085 0.000 0.991 256 V HN 0.987 nan 8.190 nan 0.000 0.427 257 M N 6.322 125.960 119.600 0.065 0.000 2.149 257 M HA 0.615 5.095 4.480 0.000 0.000 0.342 257 M C -1.390 174.942 176.300 0.054 0.000 1.068 257 M CA -0.384 54.938 55.300 0.038 0.000 0.991 257 M CB 0.860 33.470 32.600 0.017 0.000 1.596 257 M HN 0.568 nan 8.290 nan 0.000 0.439 258 I N 5.132 125.726 120.570 0.041 0.000 2.287 258 I HA 0.268 4.438 4.170 0.000 0.000 0.290 258 I C -0.377 175.777 176.117 0.061 0.000 1.069 258 I CA -0.276 61.059 61.300 0.057 0.000 1.237 258 I CB 0.573 38.577 38.000 0.006 0.000 1.418 258 I HN 0.658 nan 8.210 nan 0.000 0.481 259 N N 4.892 123.657 118.700 0.109 0.000 2.421 259 N HA 0.222 4.962 4.740 0.000 0.000 0.285 259 N C -0.614 174.986 175.510 0.150 0.000 1.027 259 N CA -0.501 52.611 53.050 0.104 0.000 0.918 259 N CB 0.923 39.460 38.487 0.084 0.000 1.152 259 N HN 0.395 nan 8.380 nan 0.000 0.485 260 N N 4.431 123.203 118.700 0.119 0.000 2.414 260 N HA 0.123 4.863 4.740 0.000 0.000 0.256 260 N C 0.320 175.904 175.510 0.123 0.000 1.029 260 N CA -0.384 52.746 53.050 0.134 0.000 0.948 260 N CB 0.613 39.154 38.487 0.091 0.000 1.102 260 N HN 0.518 nan 8.380 nan 0.000 0.496 261 L N 3.129 124.431 121.223 0.131 0.000 2.549 261 L HA 0.099 4.439 4.340 0.000 0.000 0.229 261 L C 1.742 178.677 176.870 0.110 0.000 1.158 261 L CA 1.373 56.276 54.840 0.106 0.000 0.842 261 L CB -1.333 40.775 42.059 0.082 0.000 0.952 261 L HN 0.931 nan 8.230 nan 0.000 0.452 262 G N -2.205 106.656 108.800 0.102 0.000 2.705 262 G HA2 -0.150 3.810 3.960 0.000 0.000 0.193 262 G HA3 -0.150 3.810 3.960 0.000 0.000 0.193 262 G C 1.023 175.970 174.900 0.078 0.000 1.015 262 G CA -0.064 45.090 45.100 0.089 0.000 0.743 262 G HN 0.403 nan 8.290 nan 0.000 0.476 263 G N 0.160 109.010 108.800 0.082 0.000 3.377 263 G HA2 0.501 4.461 3.960 0.000 0.000 0.257 263 G HA3 0.501 4.461 3.960 0.000 0.000 0.257 263 G C 0.262 175.206 174.900 0.073 0.000 1.038 263 G CA 0.676 45.820 45.100 0.073 0.000 0.809 263 G HN 0.759 nan 8.290 nan 0.000 0.526 264 V N 2.266 122.231 119.914 0.085 0.000 2.649 264 V HA 0.396 4.516 4.120 0.000 0.000 0.292 264 V C 0.944 177.069 176.094 0.052 0.000 1.055 264 V CA -0.666 61.684 62.300 0.083 0.000 1.023 264 V CB 1.328 33.220 31.823 0.115 0.000 0.992 264 V HN 0.417 nan 8.190 nan 0.000 0.480 265 S N 3.505 119.228 115.700 0.038 0.000 2.585 265 S HA 0.190 4.660 4.470 0.000 0.000 0.273 265 S C 1.048 175.654 174.600 0.010 0.000 1.339 265 S CA -0.572 57.641 58.200 0.022 0.000 1.028 265 S CB 1.329 64.540 63.200 0.017 0.000 0.906 265 S HN 0.386 nan 8.310 nan 0.000 0.528 266 V N 2.411 122.327 119.914 0.004 0.000 2.407 266 V HA -0.183 3.937 4.120 0.000 0.000 0.248 266 V C 2.904 178.989 176.094 -0.016 0.000 1.055 266 V CA 2.255 64.551 62.300 -0.006 0.000 1.049 266 V CB -1.845 29.975 31.823 -0.004 0.000 0.662 266 V HN 1.028 nan 8.190 nan 0.000 0.455 267 A N -0.115 122.699 122.820 -0.011 0.000 1.865 267 A HA -0.285 4.035 4.320 0.000 0.000 0.217 267 A C 2.175 179.743 177.584 -0.027 0.000 1.191 267 A CA 2.100 54.127 52.037 -0.017 0.000 0.623 267 A CB -0.585 18.409 19.000 -0.009 0.000 0.826 267 A HN 0.604 nan 8.150 nan 0.000 0.444 268 E N -0.857 119.330 120.200 -0.022 0.000 2.097 268 E HA -0.214 4.136 4.350 0.000 0.000 0.196 268 E C 2.107 178.655 176.600 -0.087 0.000 1.000 268 E CA 1.496 57.875 56.400 -0.035 0.000 0.804 268 E CB -0.264 29.434 29.700 -0.003 0.000 0.740 268 E HN 0.483 nan 8.360 nan 0.000 0.454 269 M N 0.062 119.614 119.600 -0.080 0.000 2.202 269 M HA -0.136 4.344 4.480 0.000 0.000 0.262 269 M C 2.377 178.604 176.300 -0.122 0.000 1.063 269 M CA 1.168 56.395 55.300 -0.123 0.000 1.097 269 M CB -0.833 31.728 32.600 -0.065 0.000 1.382 269 M HN 0.139 nan 8.290 nan 0.000 0.413 270 A N 0.458 123.230 122.820 -0.079 0.000 1.873 270 A HA -0.098 4.222 4.320 0.000 0.000 0.215 270 A C 2.192 179.729 177.584 -0.079 0.000 1.186 270 A CA 1.139 53.136 52.037 -0.067 0.000 0.616 270 A CB -0.724 18.249 19.000 -0.044 0.000 0.823 270 A HN 0.439 nan 8.150 nan 0.000 0.442 271 I N 0.082 120.605 120.570 -0.079 0.000 2.208 271 I HA -0.246 3.924 4.170 0.000 0.000 0.245 271 I C 2.098 178.147 176.117 -0.113 0.000 1.097 271 I CA 0.891 62.145 61.300 -0.076 0.000 1.363 271 I CB -0.346 37.618 38.000 -0.058 0.000 1.051 271 I HN 0.226 nan 8.210 nan 0.000 0.413 272 I N 0.672 121.129 120.570 -0.188 0.000 2.226 272 I HA -0.248 3.922 4.170 0.000 0.000 0.245 272 I C 2.636 178.631 176.117 -0.204 0.000 1.100 272 I CA 1.770 62.892 61.300 -0.297 0.000 1.374 272 I CB -1.825 35.785 38.000 -0.649 0.000 1.057 272 I HN 0.228 nan 8.210 nan 0.000 0.413 273 T N 0.567 115.026 114.554 -0.160 0.000 2.759 273 T HA -0.217 4.133 4.350 0.000 0.000 0.269 273 T C 2.075 176.734 174.700 -0.069 0.000 1.042 273 T CA 1.452 63.493 62.100 -0.097 0.000 1.140 273 T CB -0.219 68.606 68.868 -0.072 0.000 0.864 273 T HN 0.316 nan 8.240 nan 0.000 0.455 274 R N 0.879 121.336 120.500 -0.071 0.000 2.075 274 R HA -0.102 4.238 4.340 0.000 0.000 0.232 274 R C 2.234 178.499 176.300 -0.057 0.000 1.126 274 R CA 1.269 57.333 56.100 -0.059 0.000 0.963 274 R CB -0.054 30.214 30.300 -0.055 0.000 0.858 274 R HN 0.305 nan 8.270 nan 0.000 0.435 275 E N 1.009 121.174 120.200 -0.058 0.000 2.058 275 E HA -0.234 4.116 4.350 0.000 0.000 0.194 275 E C 2.047 178.633 176.600 -0.024 0.000 0.997 275 E CA 1.068 57.445 56.400 -0.038 0.000 0.801 275 E CB -0.475 29.206 29.700 -0.032 0.000 0.746 275 E HN 0.290 nan 8.360 nan 0.000 0.450 276 L N 1.109 122.318 121.223 -0.024 0.000 2.042 276 L HA -0.128 4.212 4.340 0.000 0.000 0.210 276 L C 2.240 179.118 176.870 0.015 0.000 1.076 276 L CA 2.204 57.048 54.840 0.007 0.000 0.749 276 L CB -0.590 41.474 42.059 0.008 0.000 0.893 276 L HN 0.070 nan 8.230 nan 0.000 0.432 277 A N -1.892 120.920 122.820 -0.013 0.000 2.125 277 A HA -0.090 4.230 4.320 0.000 0.000 0.219 277 A C 2.124 179.629 177.584 -0.131 0.000 1.156 277 A CA 1.653 53.674 52.037 -0.028 0.000 0.671 277 A CB -0.516 18.453 19.000 -0.051 0.000 0.794 277 A HN 0.538 nan 8.150 nan 0.000 0.459 278 S N -0.220 115.421 115.700 -0.098 0.000 2.554 278 S HA 0.145 4.616 4.470 0.000 0.000 0.226 278 S C 0.807 175.381 174.600 -0.042 0.000 0.980 278 S CA 0.204 58.328 58.200 -0.126 0.000 0.939 278 S CB -0.030 63.114 63.200 -0.094 0.000 0.832 278 S HN 0.722 nan 8.310 nan 0.000 0.486 279 S N 1.865 117.572 115.700 0.011 0.000 2.652 279 S HA 0.363 4.833 4.470 0.000 0.000 0.270 279 S C -2.312 172.333 174.600 0.075 0.000 1.243 279 S CA -1.097 57.126 58.200 0.038 0.000 0.999 279 S CB 0.604 63.830 63.200 0.043 0.000 0.973 279 S HN -0.118 nan 8.310 nan 0.000 0.544 280 P HA -0.001 nan 4.420 nan 0.000 0.226 280 P C 1.084 178.413 177.300 0.050 0.000 1.146 280 P CA 0.308 63.440 63.100 0.052 0.000 0.773 280 P CB 0.006 31.721 31.700 0.025 0.000 0.772 281 L N -1.337 119.920 121.223 0.056 0.000 2.418 281 L HA -0.043 4.297 4.340 0.000 0.000 0.218 281 L C 2.262 179.163 176.870 0.051 0.000 1.125 281 L CA 1.359 56.222 54.840 0.039 0.000 0.835 281 L CB -1.194 40.889 42.059 0.040 0.000 0.953 281 L HN 0.027 nan 8.230 nan 0.000 0.454 282 H N 0.070 119.135 119.070 -0.009 0.000 2.267 282 H HA -0.229 4.327 4.556 0.000 0.000 0.291 282 H C 2.198 177.513 175.328 -0.021 0.000 1.094 282 H CA 2.259 58.298 56.048 -0.014 0.000 1.227 282 H CB -0.637 29.116 29.762 -0.016 0.000 1.351 282 H HN 0.483 nan 8.280 nan 0.000 0.483 283 S N -0.439 114.949 115.700 -0.521 0.000 2.584 283 S HA -0.067 4.403 4.470 0.000 0.000 0.240 283 S C 1.613 176.059 174.600 -0.256 0.000 0.975 283 S CA 0.976 58.866 58.200 -0.516 0.000 0.949 283 S CB -0.123 62.909 63.200 -0.281 0.000 0.761 283 S HN 0.614 nan 8.310 nan 0.000 0.536 284 R N 0.089 120.492 120.500 -0.162 0.000 2.476 284 R HA 0.424 4.764 4.340 0.000 0.000 0.276 284 R C -0.339 175.924 176.300 -0.061 0.000 0.941 284 R CA -0.176 55.870 56.100 -0.091 0.000 1.088 284 R CB 0.443 30.711 30.300 -0.053 0.000 1.216 284 R HN 0.409 nan 8.270 nan 0.000 0.533 285 I N 1.690 122.216 120.570 -0.074 0.000 2.371 285 I HA 0.084 4.254 4.170 0.000 0.000 0.290 285 I C 0.076 176.138 176.117 -0.092 0.000 1.028 285 I CA 0.227 61.507 61.300 -0.033 0.000 1.345 285 I CB 1.274 39.277 38.000 0.005 0.000 1.407 285 I HN 0.007 nan 8.210 nan 0.000 0.501 286 D N 4.546 124.888 120.400 -0.097 0.000 2.449 286 D HA 0.122 4.762 4.640 0.000 0.000 0.210 286 D C -0.555 175.338 176.300 -0.678 0.000 1.094 286 D CA 0.635 54.423 54.000 -0.353 0.000 0.846 286 D CB 0.624 41.259 40.800 -0.274 0.000 1.003 286 D HN 0.443 nan 8.370 nan 0.000 0.504 287 W N 0.620 121.934 121.300 0.022 0.000 3.296 287 W HA 0.482 5.142 4.660 0.000 0.000 0.314 287 W C -0.996 175.535 176.519 0.020 0.000 1.238 287 W CA -0.687 56.673 57.345 0.025 0.000 1.193 287 W CB 1.321 30.803 29.460 0.037 0.000 1.383 287 W HN -0.394 nan 8.180 nan 0.000 0.545 288 L N 3.571 124.961 121.223 0.278 0.000 2.346 288 L HA 0.621 4.961 4.340 0.000 0.000 0.276 288 L C -0.874 176.063 176.870 0.112 0.000 1.006 288 L CA -1.148 53.780 54.840 0.147 0.000 0.817 288 L CB 1.462 43.573 42.059 0.087 0.000 1.272 288 L HN 0.250 nan 8.230 nan 0.000 0.421 289 I N 2.823 123.418 120.570 0.041 0.000 2.390 289 I HA 0.744 4.914 4.170 0.000 0.000 0.283 289 I C 0.507 176.589 176.117 -0.059 0.000 1.016 289 I CA -0.084 61.179 61.300 -0.062 0.000 1.151 289 I CB 1.262 39.188 38.000 -0.124 0.000 1.293 289 I HN 0.758 nan 8.210 nan 0.000 0.458 290 G N 6.916 115.679 108.800 -0.063 0.000 2.466 290 G HA2 -0.054 3.906 3.960 0.000 0.000 0.316 290 G HA3 -0.054 3.906 3.960 0.000 0.000 0.316 290 G C -2.988 171.900 174.900 -0.020 0.000 1.270 290 G CA -1.123 43.953 45.100 -0.039 0.000 0.982 290 G HN 0.475 nan 8.290 nan 0.000 0.506 291 P HA 0.495 nan 4.420 nan 0.000 0.264 291 P C -0.085 177.209 177.300 -0.010 0.000 1.193 291 P CA 1.200 64.289 63.100 -0.019 0.000 0.763 291 P CB 1.166 32.843 31.700 -0.038 0.000 0.810 292 A N 2.464 125.287 122.820 0.006 0.000 2.586 292 A HA 0.494 4.814 4.320 0.000 0.000 0.291 292 A C -0.683 176.929 177.584 0.046 0.000 1.062 292 A CA -0.610 51.437 52.037 0.017 0.000 0.666 292 A CB 0.712 19.713 19.000 0.001 0.000 1.281 292 A HN 0.319 nan 8.150 nan 0.000 0.421 293 S N 1.165 116.898 115.700 0.056 0.000 2.411 293 S HA 0.420 4.890 4.470 0.000 0.000 0.304 293 S C 0.710 175.378 174.600 0.113 0.000 1.098 293 S CA -0.303 57.944 58.200 0.080 0.000 1.068 293 S CB -0.269 62.972 63.200 0.069 0.000 1.032 293 S HN 0.507 nan 8.310 nan 0.000 0.511 294 L N 2.646 123.955 121.223 0.142 0.000 2.433 294 L HA 0.341 4.681 4.340 0.000 0.000 0.200 294 L C -0.148 176.880 176.870 0.263 0.000 1.059 294 L CA 0.265 55.255 54.840 0.250 0.000 0.835 294 L CB 0.211 42.383 42.059 0.189 0.000 1.076 294 L HN 0.335 nan 8.230 nan 0.000 0.481 295 V N 0.993 120.995 119.914 0.146 0.000 2.398 295 V HA 0.270 4.390 4.120 0.000 0.000 0.282 295 V C 0.038 176.192 176.094 0.100 0.000 1.014 295 V CA -0.522 61.838 62.300 0.100 0.000 0.838 295 V CB 1.173 32.996 31.823 -0.000 0.000 1.018 295 V HN 0.352 nan 8.190 nan 0.000 0.432 296 T N 1.334 115.990 114.554 0.169 0.000 2.884 296 T HA 0.822 5.173 4.350 0.000 0.000 0.277 296 T C 0.196 175.076 174.700 0.299 0.000 0.976 296 T CA -0.270 61.941 62.100 0.184 0.000 0.956 296 T CB 2.197 71.162 68.868 0.162 0.000 1.113 296 T HN 0.893 nan 8.240 nan 0.000 0.554 297 A N 1.075 124.047 122.820 0.253 0.000 3.317 297 A HA 0.635 4.956 4.320 0.000 0.000 0.307 297 A C 0.630 178.398 177.584 0.307 0.000 1.003 297 A CA -0.761 51.478 52.037 0.337 0.000 0.882 297 A CB -1.078 18.032 19.000 0.183 0.000 1.136 297 A HN 1.020 nan 8.150 nan 0.000 0.488 298 L N -0.766 120.605 121.223 0.247 0.000 6.223 298 L HA -0.327 4.013 4.340 0.000 0.000 0.053 298 L C 1.260 178.205 176.870 0.126 0.000 2.244 298 L CA 1.711 56.645 54.840 0.156 0.000 1.647 298 L CB -0.485 41.672 42.059 0.164 0.000 2.769 298 L HN 0.781 nan 8.230 nan 0.000 1.016 299 D N 0.298 120.768 120.400 0.117 0.000 2.395 299 D HA 0.138 4.778 4.640 0.000 0.000 0.226 299 D C 0.600 176.950 176.300 0.083 0.000 1.146 299 D CA -0.086 53.972 54.000 0.097 0.000 0.830 299 D CB -0.059 40.809 40.800 0.114 0.000 0.958 299 D HN 0.458 nan 8.370 nan 0.000 0.501 300 M N 1.075 120.730 119.600 0.091 0.000 2.286 300 M HA -0.082 4.398 4.480 0.000 0.000 0.365 300 M C 0.323 176.661 176.300 0.063 0.000 1.443 300 M CA 0.259 55.598 55.300 0.064 0.000 0.951 300 M CB 0.461 33.111 32.600 0.083 0.000 1.961 300 M HN -0.158 nan 8.290 nan 0.000 0.468 301 K N 4.746 125.173 120.400 0.046 0.000 2.187 301 K HA 0.407 4.727 4.320 0.000 0.000 0.242 301 K C -0.474 176.176 176.600 0.085 0.000 1.179 301 K CA -0.086 56.242 56.287 0.068 0.000 1.097 301 K CB -0.232 32.301 32.500 0.055 0.000 1.634 301 K HN 0.833 nan 8.250 nan 0.000 0.335 302 G N 1.664 110.523 108.800 0.097 0.000 2.645 302 G HA2 0.598 4.558 3.960 0.000 0.000 0.292 302 G HA3 0.598 4.558 3.960 0.000 0.000 0.292 302 G C -1.608 173.383 174.900 0.151 0.000 1.415 302 G CA -0.961 44.182 45.100 0.072 0.000 0.785 302 G HN 0.361 nan 8.290 nan 0.000 0.483 303 F N -0.668 119.303 119.950 0.035 0.000 2.643 303 F HA 0.886 5.413 4.527 0.000 0.000 0.314 303 F C -0.246 175.570 175.800 0.027 0.000 1.096 303 F CA -1.172 56.846 58.000 0.030 0.000 0.953 303 F CB 1.884 40.901 39.000 0.028 0.000 1.345 303 F HN 0.768 nan 8.300 nan 0.000 0.468 304 S N 1.372 117.193 115.700 0.202 0.000 2.570 304 S HA 0.842 5.312 4.470 0.000 0.000 0.286 304 S C -1.574 173.155 174.600 0.215 0.000 1.099 304 S CA -0.846 57.405 58.200 0.084 0.000 0.913 304 S CB 1.851 65.066 63.200 0.025 0.000 1.085 304 S HN 0.865 nan 8.310 nan 0.000 0.480 305 L N 1.953 123.269 121.223 0.155 0.000 2.349 305 L HA 0.551 4.891 4.340 0.000 0.000 0.278 305 L C -0.607 176.324 176.870 0.101 0.000 0.996 305 L CA -0.389 54.545 54.840 0.156 0.000 0.825 305 L CB 2.170 44.339 42.059 0.183 0.000 1.243 305 L HN 0.767 nan 8.230 nan 0.000 0.412 306 T N 2.423 117.030 114.554 0.088 0.000 2.792 306 T HA 0.676 5.026 4.350 0.000 0.000 0.280 306 T C -0.263 174.494 174.700 0.095 0.000 0.990 306 T CA -0.485 61.662 62.100 0.078 0.000 0.960 306 T CB 1.768 70.661 68.868 0.043 0.000 0.939 306 T HN 0.604 nan 8.240 nan 0.000 0.439 307 A N 3.531 126.430 122.820 0.132 0.000 2.318 307 A HA 0.840 5.160 4.320 0.000 0.000 0.324 307 A C -0.707 176.990 177.584 0.189 0.000 1.170 307 A CA -0.718 51.405 52.037 0.143 0.000 0.810 307 A CB 0.517 19.592 19.000 0.125 0.000 1.198 307 A HN 0.888 nan 8.150 nan 0.000 0.484 308 I N 2.956 123.606 120.570 0.134 0.000 2.465 308 I HA 0.512 4.682 4.170 0.000 0.000 0.291 308 I C -0.772 175.405 176.117 0.100 0.000 1.014 308 I CA -0.629 60.734 61.300 0.106 0.000 1.093 308 I CB 1.930 39.957 38.000 0.046 0.000 1.267 308 I HN 0.382 nan 8.210 nan 0.000 0.431 309 V N 8.085 128.057 119.914 0.097 0.000 2.521 309 V HA 0.088 4.208 4.120 0.000 0.000 0.286 309 V C 0.515 176.633 176.094 0.040 0.000 1.034 309 V CA -0.246 62.092 62.300 0.064 0.000 1.045 309 V CB 0.866 32.722 31.823 0.055 0.000 0.974 309 V HN 0.535 nan 8.190 nan 0.000 0.480 310 L N 5.786 127.046 121.223 0.063 0.000 2.399 310 L HA 0.354 4.694 4.340 0.000 0.000 0.257 310 L C 0.318 177.234 176.870 0.077 0.000 1.236 310 L CA 0.050 54.935 54.840 0.075 0.000 1.144 310 L CB -0.348 41.777 42.059 0.111 0.000 1.379 310 L HN 0.628 nan 8.230 nan 0.000 0.414 311 E N 2.163 122.414 120.200 0.086 0.000 2.227 311 E HA 0.369 4.719 4.350 0.000 0.000 0.268 311 E C 0.250 176.969 176.600 0.199 0.000 0.907 311 E CA -0.505 55.976 56.400 0.135 0.000 0.786 311 E CB 2.010 31.811 29.700 0.168 0.000 1.191 311 E HN 0.279 nan 8.360 nan 0.000 0.411 312 E N 0.458 120.751 120.200 0.156 0.000 3.259 312 E HA -0.250 4.100 4.350 0.000 0.000 0.332 312 E C 1.038 177.696 176.600 0.096 0.000 1.477 312 E CA 1.243 57.717 56.400 0.124 0.000 1.742 312 E CB -1.390 28.390 29.700 0.133 0.000 1.842 312 E HN 0.497 nan 8.360 nan 0.000 0.499 313 S N 0.782 116.546 115.700 0.107 0.000 2.515 313 S HA -0.019 4.451 4.470 0.000 0.000 0.231 313 S C 1.888 176.476 174.600 -0.021 0.000 0.987 313 S CA 0.524 58.753 58.200 0.049 0.000 0.936 313 S CB -0.108 63.209 63.200 0.194 0.000 0.766 313 S HN 0.257 nan 8.310 nan 0.000 0.528 314 I N 2.272 122.883 120.570 0.069 0.000 2.068 314 I HA -0.246 3.924 4.170 0.000 0.000 0.238 314 I C 2.639 178.711 176.117 -0.075 0.000 1.046 314 I CA 1.698 63.005 61.300 0.011 0.000 1.306 314 I CB -1.329 36.692 38.000 0.036 0.000 1.023 314 I HN 0.419 nan 8.210 nan 0.000 0.399 315 E N 0.909 121.086 120.200 -0.037 0.000 2.097 315 E HA -0.296 4.054 4.350 0.000 0.000 0.196 315 E C 2.305 178.811 176.600 -0.156 0.000 1.000 315 E CA 1.783 58.147 56.400 -0.060 0.000 0.804 315 E CB -0.063 29.661 29.700 0.040 0.000 0.740 315 E HN 0.359 nan 8.360 nan 0.000 0.454 316 K N 0.006 120.297 120.400 -0.182 0.000 2.032 316 K HA -0.183 4.137 4.320 0.000 0.000 0.209 316 K C 2.018 178.336 176.600 -0.469 0.000 1.048 316 K CA 1.385 57.508 56.287 -0.272 0.000 0.927 316 K CB -0.216 32.111 32.500 -0.288 0.000 0.712 316 K HN 0.160 nan 8.250 nan 0.000 0.441 317 A N 1.176 123.603 122.820 -0.656 0.000 1.969 317 A HA -0.060 4.260 4.320 0.000 0.000 0.218 317 A C 2.107 179.473 177.584 -0.362 0.000 1.169 317 A CA 0.953 52.525 52.037 -0.776 0.000 0.635 317 A CB -0.402 18.165 19.000 -0.722 0.000 0.810 317 A HN 0.321 nan 8.150 nan 0.000 0.445 318 L N -0.718 120.350 121.223 -0.258 0.000 2.056 318 L HA -0.114 4.226 4.340 0.000 0.000 0.207 318 L C 2.181 178.972 176.870 -0.131 0.000 1.078 318 L CA 1.038 55.787 54.840 -0.151 0.000 0.749 318 L CB -0.451 41.551 42.059 -0.095 0.000 0.901 318 L HN 0.368 nan 8.230 nan 0.000 0.433 319 L N -0.924 120.160 121.223 -0.232 0.000 2.551 319 L HA -0.017 4.323 4.340 0.000 0.000 0.228 319 L C 0.786 177.596 176.870 -0.100 0.000 1.153 319 L CA -0.019 54.681 54.840 -0.233 0.000 0.851 319 L CB -0.765 41.090 42.059 -0.340 0.000 0.959 319 L HN 0.137 nan 8.230 nan 0.000 0.451 320 T N 0.830 115.331 114.554 -0.088 0.000 2.901 320 T HA 0.090 4.440 4.350 0.000 0.000 0.301 320 T C 0.355 175.041 174.700 -0.022 0.000 1.012 320 T CA -0.296 61.794 62.100 -0.018 0.000 1.135 320 T CB 0.619 69.531 68.868 0.074 0.000 0.936 320 T HN 0.182 nan 8.240 nan 0.000 0.539 321 E N 1.275 121.484 120.200 0.015 0.000 2.383 321 E HA 0.394 4.744 4.350 0.000 0.000 0.264 321 E C 0.195 176.768 176.600 -0.044 0.000 1.050 321 E CA -0.560 55.866 56.400 0.044 0.000 0.896 321 E CB 0.776 30.522 29.700 0.077 0.000 0.982 321 E HN 0.464 nan 8.360 nan 0.000 0.424 322 V N -1.113 118.771 119.914 -0.049 0.000 3.156 322 V HA 0.473 4.593 4.120 0.000 0.000 0.311 322 V C -0.878 175.067 176.094 -0.248 0.000 1.208 322 V CA -1.000 61.198 62.300 -0.170 0.000 1.063 322 V CB 2.047 33.735 31.823 -0.225 0.000 1.098 322 V HN 0.649 nan 8.190 nan 0.000 0.452 323 E N 1.688 121.600 120.200 -0.479 0.000 2.683 323 E HA 0.523 4.873 4.350 0.000 0.000 0.224 323 E C -0.700 175.503 176.600 -0.660 0.000 1.046 323 E CA -0.299 55.425 56.400 -1.126 0.000 0.811 323 E CB 1.412 30.132 29.700 -1.632 0.000 1.296 323 E HN 0.995 nan 8.360 nan 0.000 0.421 324 T N -2.648 111.860 114.554 -0.077 0.000 2.887 324 T HA 0.282 4.632 4.350 0.000 0.000 0.292 324 T C 0.973 175.881 174.700 0.348 0.000 1.087 324 T CA -0.731 61.453 62.100 0.139 0.000 1.009 324 T CB 1.683 70.655 68.868 0.172 0.000 1.203 324 T HN -0.020 nan 8.240 nan 0.000 0.518 325 S N 0.586 116.395 115.700 0.182 0.000 2.423 325 S HA -0.011 4.459 4.470 0.000 0.000 0.231 325 S C 1.007 175.633 174.600 0.043 0.000 1.014 325 S CA 1.250 59.522 58.200 0.120 0.000 0.965 325 S CB -0.416 62.794 63.200 0.017 0.000 0.785 325 S HN 0.821 nan 8.310 nan 0.000 0.495 326 N N -1.068 117.597 118.700 -0.058 0.000 2.143 326 N HA 0.122 4.862 4.740 0.000 0.000 0.229 326 N C -0.536 175.085 175.510 0.185 0.000 1.294 326 N CA -0.270 52.742 53.050 -0.063 0.000 0.883 326 N CB 0.392 38.698 38.487 -0.302 0.000 1.148 326 N HN 0.386 nan 8.380 nan 0.000 0.511 327 W N 5.099 126.541 121.300 0.236 0.000 2.322 327 W HA 0.170 4.830 4.660 0.000 0.000 0.328 327 W C -2.596 174.061 176.519 0.230 0.000 1.395 327 W CA -0.700 56.877 57.345 0.387 0.000 1.267 327 W CB 0.602 30.257 29.460 0.325 0.000 1.259 327 W HN 0.004 nan 8.180 nan 0.000 0.560 328 P HA 0.130 nan 4.420 nan 0.000 0.296 328 P C -0.669 176.242 177.300 -0.647 0.000 1.306 328 P CA -0.241 62.555 63.100 -0.506 0.000 0.818 328 P CB 1.571 33.045 31.700 -0.378 0.000 0.969 329 T N 5.672 120.108 114.554 -0.195 0.000 2.784 329 T HA 0.186 4.536 4.350 0.000 0.000 0.291 329 T C -2.028 172.646 174.700 -0.043 0.000 0.942 329 T CA -0.383 61.702 62.100 -0.026 0.000 1.161 329 T CB -0.603 68.311 68.868 0.075 0.000 0.885 329 T HN 0.345 nan 8.240 nan 0.000 0.534 330 P HA 0.228 nan 4.420 nan 0.000 0.267 330 P C -1.002 176.467 177.300 0.283 0.000 1.200 330 P CA -0.237 62.886 63.100 0.039 0.000 0.772 330 P CB 0.521 32.135 31.700 -0.143 0.000 0.855 331 V N 4.867 125.035 119.914 0.424 0.000 2.760 331 V HA 0.368 4.488 4.120 0.000 0.000 0.309 331 V C -2.439 173.829 176.094 0.291 0.000 1.077 331 V CA -2.102 60.445 62.300 0.411 0.000 0.910 331 V CB 2.293 34.224 31.823 0.181 0.000 1.008 331 V HN 0.436 nan 8.190 nan 0.000 0.424 332 P HA 0.211 nan 4.420 nan 0.000 0.271 332 P C -2.573 174.671 177.300 -0.093 0.000 1.216 332 P CA -1.364 61.571 63.100 -0.274 0.000 0.771 332 P CB 0.048 31.467 31.700 -0.467 0.000 0.864 333 P HA -0.003 nan 4.420 nan 0.000 0.261 333 P C -0.293 176.989 177.300 -0.029 0.000 1.203 333 P CA 0.244 63.332 63.100 -0.020 0.000 0.767 333 P CB 0.445 32.149 31.700 0.007 0.000 0.785 334 R N 2.644 123.133 120.500 -0.018 0.000 2.641 334 R HA 0.167 4.507 4.340 0.000 0.000 0.269 334 R C 1.034 177.326 176.300 -0.015 0.000 1.074 334 R CA -0.332 55.757 56.100 -0.019 0.000 1.133 334 R CB 0.185 30.479 30.300 -0.009 0.000 1.029 334 R HN 0.590 nan 8.270 nan 0.000 0.488 335 E N 1.705 121.896 120.200 -0.014 0.000 2.318 335 E HA 0.252 4.602 4.350 0.000 0.000 0.265 335 E C -0.358 176.233 176.600 -0.015 0.000 1.069 335 E CA -0.631 55.762 56.400 -0.013 0.000 0.893 335 E CB 0.810 30.505 29.700 -0.008 0.000 1.076 335 E HN 0.409 nan 8.360 nan 0.000 0.414 336 I N 3.438 123.996 120.570 -0.020 0.000 2.260 336 I HA 0.070 4.240 4.170 0.000 0.000 0.297 336 I C 0.481 176.590 176.117 -0.014 0.000 1.143 336 I CA -0.524 60.765 61.300 -0.018 0.000 1.271 336 I CB -0.421 37.565 38.000 -0.024 0.000 1.461 336 I HN 0.586 nan 8.210 nan 0.000 0.530 337 T N 2.126 116.674 114.554 -0.010 0.000 2.913 337 T HA 0.219 4.569 4.350 0.000 0.000 0.297 337 T C -0.178 174.518 174.700 -0.006 0.000 1.029 337 T CA -0.558 61.538 62.100 -0.007 0.000 1.104 337 T CB 1.699 70.564 68.868 -0.004 0.000 0.964 337 T HN 0.608 nan 8.240 nan 0.000 0.532 338 C N 4.579 123.876 119.300 -0.004 0.000 2.293 338 C HA 0.625 5.085 4.460 0.000 0.000 0.323 338 C C 0.018 175.009 174.990 0.001 0.000 1.240 338 C CA -0.546 58.470 59.018 -0.003 0.000 1.497 338 C CB -0.982 26.756 27.740 -0.004 0.000 2.171 338 C HN 0.870 nan 8.230 nan 0.000 0.465 339 V N 6.686 126.601 119.914 0.002 0.000 2.732 339 V HA 0.463 4.583 4.120 0.000 0.000 0.297 339 V C 0.217 176.318 176.094 0.011 0.000 1.060 339 V CA -0.329 61.975 62.300 0.006 0.000 1.038 339 V CB 1.419 33.245 31.823 0.006 0.000 1.003 339 V HN 0.646 nan 8.190 nan 0.000 0.481 340 V N 3.229 123.153 119.914 0.017 0.000 2.581 340 V HA 0.693 4.813 4.120 0.000 0.000 0.303 340 V C 0.179 176.296 176.094 0.038 0.000 1.041 340 V CA -0.255 62.063 62.300 0.029 0.000 0.907 340 V CB 1.844 33.684 31.823 0.028 0.000 0.994 340 V HN 1.088 nan 8.190 nan 0.000 0.442 341 S N 1.940 117.678 115.700 0.063 0.000 2.677 341 S HA 0.710 5.180 4.470 0.000 0.000 0.304 341 S C -0.298 174.368 174.600 0.110 0.000 1.108 341 S CA -0.462 57.783 58.200 0.075 0.000 0.944 341 S CB 2.013 65.255 63.200 0.071 0.000 1.127 341 S HN 0.964 nan 8.310 nan 0.000 0.511 342 S N 1.654 117.404 115.700 0.085 0.000 2.488 342 S HA 0.395 4.865 4.470 0.000 0.000 0.310 342 S C -0.390 174.257 174.600 0.077 0.000 1.093 342 S CA -0.806 57.423 58.200 0.049 0.000 1.129 342 S CB -0.448 62.762 63.200 0.016 0.000 0.989 342 S HN 0.923 nan 8.310 nan 0.000 0.479 343 H N 1.431 120.503 119.070 0.003 0.000 2.539 343 H HA 0.707 5.263 4.556 0.000 0.000 0.332 343 H C -0.247 175.084 175.328 0.005 0.000 1.031 343 H CA -0.885 55.165 56.048 0.004 0.000 1.206 343 H CB 1.075 30.839 29.762 0.004 0.000 1.446 343 H HN 0.619 nan 8.280 nan 0.000 0.496 344 A N 3.355 126.179 122.820 0.006 0.000 2.462 344 A HA 0.135 4.455 4.320 0.000 0.000 0.243 344 A C 0.774 178.373 177.584 0.025 0.000 1.076 344 A CA 0.015 52.037 52.037 -0.026 0.000 0.773 344 A CB 0.048 19.052 19.000 0.007 0.000 1.010 344 A HN 0.834 nan 8.150 nan 0.000 0.493 345 S N 1.750 117.447 115.700 -0.005 0.000 2.629 345 S HA 0.219 4.689 4.470 0.000 0.000 0.302 345 S C 1.423 176.060 174.600 0.063 0.000 1.244 345 S CA 0.049 58.273 58.200 0.040 0.000 1.098 345 S CB -0.017 63.192 63.200 0.015 0.000 0.858 345 S HN 1.375 nan 8.310 nan 0.000 0.502 346 A N 5.981 128.853 122.820 0.087 0.000 1.933 346 A HA -0.038 4.283 4.320 0.000 0.000 0.218 346 A C 1.373 178.994 177.584 0.062 0.000 1.175 346 A CA 0.852 52.930 52.037 0.070 0.000 0.628 346 A CB -0.517 18.522 19.000 0.065 0.000 0.814 346 A HN 0.926 nan 8.150 nan 0.000 0.444 347 R N 0.665 121.204 120.500 0.064 0.000 2.504 347 R HA 0.060 4.400 4.340 0.000 0.000 0.302 347 R C -0.255 176.096 176.300 0.085 0.000 0.893 347 R CA 0.417 56.560 56.100 0.072 0.000 1.138 347 R CB -0.107 30.233 30.300 0.067 0.000 0.880 347 R HN 0.241 nan 8.270 nan 0.000 0.415 348 V N 4.614 124.593 119.914 0.107 0.000 2.555 348 V HA 0.118 4.238 4.120 0.000 0.000 0.286 348 V C -0.154 176.074 176.094 0.225 0.000 1.044 348 V CA -0.043 62.337 62.300 0.133 0.000 1.026 348 V CB 1.125 33.013 31.823 0.109 0.000 0.981 348 V HN 0.900 nan 8.190 nan 0.000 0.480 349 E N 6.209 126.515 120.200 0.176 0.000 2.277 349 E HA 0.685 5.035 4.350 0.000 0.000 0.274 349 E C -0.923 175.839 176.600 0.269 0.000 1.022 349 E CA -0.160 56.326 56.400 0.144 0.000 0.853 349 E CB 1.597 31.321 29.700 0.039 0.000 1.086 349 E HN 0.706 nan 8.360 nan 0.000 0.397 350 F N -0.497 119.452 119.950 -0.001 0.000 2.807 350 F HA 0.484 5.011 4.527 0.000 0.000 0.316 350 F C -1.743 174.054 175.800 -0.004 0.000 1.162 350 F CA -1.216 56.782 58.000 -0.003 0.000 0.910 350 F CB 1.272 40.271 39.000 -0.002 0.000 1.314 350 F HN 0.189 nan 8.300 nan 0.000 0.454 351 Q N 1.969 121.833 119.800 0.106 0.000 2.292 351 Q HA 0.581 4.921 4.340 0.000 0.000 0.270 351 Q C -2.905 173.187 176.000 0.153 0.000 1.024 351 Q CA -2.263 53.538 55.803 -0.003 0.000 0.768 351 Q CB 2.465 31.194 28.738 -0.016 0.000 1.250 351 Q HN 0.380 nan 8.270 nan 0.000 0.447 352 P HA 0.066 nan 4.420 nan 0.000 0.263 352 P C -1.316 176.037 177.300 0.089 0.000 1.175 352 P CA 0.376 63.571 63.100 0.159 0.000 0.761 352 P CB 0.608 32.379 31.700 0.117 0.000 0.794 353 S N 1.123 116.869 115.700 0.077 0.000 2.556 353 S HA 0.828 5.298 4.470 0.000 0.000 0.271 353 S C -0.942 173.678 174.600 0.034 0.000 1.135 353 S CA -0.996 57.231 58.200 0.046 0.000 0.858 353 S CB 1.882 65.106 63.200 0.039 0.000 1.114 353 S HN 0.460 nan 8.310 nan 0.000 0.468 354 A N 1.154 123.989 122.820 0.024 0.000 2.269 354 A HA 0.891 5.211 4.320 0.000 0.000 0.319 354 A C -0.091 177.501 177.584 0.013 0.000 1.110 354 A CA -0.681 51.368 52.037 0.020 0.000 0.847 354 A CB 0.592 19.603 19.000 0.018 0.000 1.161 354 A HN 0.966 nan 8.150 nan 0.000 0.497 355 N N -0.814 117.893 118.700 0.012 0.000 4.101 355 N HA 0.127 4.867 4.740 0.000 0.000 0.182 355 N C 0.197 175.714 175.510 0.010 0.000 1.306 355 N CA 0.320 53.375 53.050 0.007 0.000 0.883 355 N CB 0.827 39.316 38.487 0.002 0.000 1.686 355 N HN 0.720 nan 8.380 nan 0.000 0.801 356 A N 3.748 126.574 122.820 0.010 0.000 1.948 356 A HA -0.145 4.176 4.320 0.000 0.000 0.220 356 A C 2.077 179.668 177.584 0.012 0.000 1.177 356 A CA 1.247 53.291 52.037 0.012 0.000 0.636 356 A CB -0.311 18.695 19.000 0.010 0.000 0.815 356 A HN 0.657 nan 8.150 nan 0.000 0.449 357 L N -0.321 120.908 121.223 0.010 0.000 1.961 357 L HA -0.174 4.166 4.340 0.000 0.000 0.210 357 L C 2.519 179.398 176.870 0.014 0.000 1.072 357 L CA 2.015 56.862 54.840 0.011 0.000 0.749 357 L CB -0.445 41.620 42.059 0.010 0.000 0.889 357 L HN 0.267 nan 8.230 nan 0.000 0.432 358 V N 0.455 120.377 119.914 0.013 0.000 2.282 358 V HA -0.354 3.766 4.120 0.000 0.000 0.249 358 V C 2.821 178.927 176.094 0.021 0.000 1.057 358 V CA 1.881 64.192 62.300 0.019 0.000 1.032 358 V CB -1.180 30.649 31.823 0.010 0.000 0.645 358 V HN 0.636 nan 8.190 nan 0.000 0.447 359 A N 0.397 123.227 122.820 0.017 0.000 1.940 359 A HA -0.134 4.186 4.320 0.000 0.000 0.219 359 A C 2.400 179.998 177.584 0.022 0.000 1.176 359 A CA 2.028 54.077 52.037 0.020 0.000 0.631 359 A CB -1.159 17.856 19.000 0.025 0.000 0.814 359 A HN 0.565 nan 8.150 nan 0.000 0.446 360 G N -0.252 108.559 108.800 0.019 0.000 2.408 360 G HA2 -0.086 3.874 3.960 0.000 0.000 0.217 360 G HA3 -0.086 3.874 3.960 0.000 0.000 0.217 360 G C 1.366 176.273 174.900 0.012 0.000 1.150 360 G CA 1.039 46.149 45.100 0.016 0.000 0.776 360 G HN 0.365 nan 8.290 nan 0.000 0.542 361 I N 0.904 121.482 120.570 0.013 0.000 2.193 361 I HA -0.075 4.095 4.170 0.000 0.000 0.240 361 I C 3.002 179.122 176.117 0.004 0.000 1.084 361 I CA 0.591 61.896 61.300 0.008 0.000 1.365 361 I CB -1.262 36.753 38.000 0.025 0.000 1.064 361 I HN 0.017 nan 8.210 nan 0.000 0.410 362 V N 1.197 121.118 119.914 0.012 0.000 2.324 362 V HA -0.300 3.820 4.120 0.000 0.000 0.250 362 V C 2.657 178.741 176.094 -0.017 0.000 1.060 362 V CA 2.229 64.525 62.300 -0.006 0.000 1.042 362 V CB -0.735 31.080 31.823 -0.013 0.000 0.650 362 V HN 0.390 nan 8.190 nan 0.000 0.450 363 E N 0.247 120.450 120.200 0.005 0.000 2.051 363 E HA -0.232 4.118 4.350 0.000 0.000 0.192 363 E C 1.951 178.561 176.600 0.016 0.000 0.991 363 E CA 1.629 58.045 56.400 0.028 0.000 0.799 363 E CB -0.507 29.228 29.700 0.059 0.000 0.748 363 E HN 0.389 nan 8.360 nan 0.000 0.449 364 L N -0.154 121.071 121.223 0.004 0.000 1.994 364 L HA -0.124 4.216 4.340 0.000 0.000 0.208 364 L C 2.378 179.236 176.870 -0.020 0.000 1.071 364 L CA 1.630 56.465 54.840 -0.008 0.000 0.745 364 L CB -0.810 41.238 42.059 -0.018 0.000 0.892 364 L HN 0.152 nan 8.230 nan 0.000 0.431 365 V N -0.750 119.145 119.914 -0.032 0.000 2.287 365 V HA -0.349 3.771 4.120 0.000 0.000 0.248 365 V C 2.510 178.586 176.094 -0.029 0.000 1.053 365 V CA 2.336 64.611 62.300 -0.043 0.000 1.027 365 V CB -1.156 30.639 31.823 -0.046 0.000 0.646 365 V HN 0.555 nan 8.190 nan 0.000 0.447 366 T N 0.096 114.631 114.554 -0.032 0.000 2.684 366 T HA -0.217 4.133 4.350 0.000 0.000 0.267 366 T C 2.008 176.702 174.700 -0.010 0.000 1.036 366 T CA 1.867 63.945 62.100 -0.037 0.000 1.148 366 T CB -0.422 68.408 68.868 -0.063 0.000 0.863 366 T HN 0.599 nan 8.240 nan 0.000 0.436 367 A N 1.097 123.921 122.820 0.006 0.000 1.855 367 A HA -0.102 4.218 4.320 0.000 0.000 0.215 367 A C 2.567 180.164 177.584 0.021 0.000 1.191 367 A CA 2.155 54.205 52.037 0.022 0.000 0.613 367 A CB -1.337 17.680 19.000 0.028 0.000 0.829 367 A HN 0.482 nan 8.150 nan 0.000 0.442 368 T N 0.942 115.504 114.554 0.012 0.000 2.624 368 T HA -0.209 4.141 4.350 0.000 0.000 0.268 368 T C 1.817 176.543 174.700 0.044 0.000 1.041 368 T CA 1.781 63.892 62.100 0.019 0.000 1.159 368 T CB -0.553 68.318 68.868 0.005 0.000 0.863 368 T HN 0.364 nan 8.240 nan 0.000 0.434 369 L N 0.568 121.820 121.223 0.048 0.000 2.017 369 L HA -0.108 4.232 4.340 0.000 0.000 0.208 369 L C 2.938 179.858 176.870 0.084 0.000 1.073 369 L CA 1.228 56.121 54.840 0.087 0.000 0.745 369 L CB -0.707 41.398 42.059 0.077 0.000 0.894 369 L HN 0.278 nan 8.230 nan 0.000 0.432 370 S N -0.166 115.567 115.700 0.054 0.000 2.359 370 S HA -0.218 4.252 4.470 0.000 0.000 0.224 370 S C 1.612 176.242 174.600 0.050 0.000 1.035 370 S CA 1.766 59.996 58.200 0.050 0.000 1.018 370 S CB -0.251 62.971 63.200 0.035 0.000 0.876 370 S HN 0.406 nan 8.310 nan 0.000 0.448 371 D N 1.097 121.524 120.400 0.045 0.000 2.178 371 D HA -0.039 4.601 4.640 0.000 0.000 0.201 371 D C 1.559 177.890 176.300 0.053 0.000 0.980 371 D CA 0.789 54.813 54.000 0.040 0.000 0.842 371 D CB -0.313 40.504 40.800 0.028 0.000 0.948 371 D HN 0.412 nan 8.370 nan 0.000 0.472 372 L N 0.636 121.902 121.223 0.072 0.000 2.599 372 L HA 0.020 4.360 4.340 0.000 0.000 0.230 372 L C 2.099 179.024 176.870 0.092 0.000 1.141 372 L CA 0.079 54.981 54.840 0.103 0.000 0.877 372 L CB -0.192 41.944 42.059 0.127 0.000 1.009 372 L HN -0.006 nan 8.230 nan 0.000 0.447 373 E N 0.824 121.063 120.200 0.065 0.000 2.055 373 E HA -0.338 4.012 4.350 0.000 0.000 0.209 373 E C 2.082 178.697 176.600 0.024 0.000 1.036 373 E CA 2.806 59.229 56.400 0.040 0.000 0.849 373 E CB -0.007 29.714 29.700 0.036 0.000 0.767 373 E HN 0.544 nan 8.360 nan 0.000 0.461 374 T N -1.915 112.663 114.554 0.040 0.000 2.788 374 T HA -0.235 4.115 4.350 0.000 0.000 0.268 374 T C 1.891 176.620 174.700 0.049 0.000 1.044 374 T CA 1.701 63.822 62.100 0.034 0.000 1.139 374 T CB -0.664 68.229 68.868 0.042 0.000 0.867 374 T HN 0.359 nan 8.240 nan 0.000 0.454 375 H N 1.489 120.552 119.070 -0.011 0.000 2.357 375 H HA 0.172 4.728 4.556 0.000 0.000 0.301 375 H C 1.988 177.299 175.328 -0.028 0.000 1.082 375 H CA 1.413 57.453 56.048 -0.013 0.000 1.342 375 H CB -0.621 29.140 29.762 -0.002 0.000 1.389 375 H HN 0.346 nan 8.280 nan 0.000 0.511 376 L N -0.093 121.042 121.223 -0.146 0.000 2.201 376 L HA -0.131 4.209 4.340 0.000 0.000 0.212 376 L C 2.017 178.757 176.870 -0.216 0.000 1.105 376 L CA 0.808 55.505 54.840 -0.237 0.000 0.775 376 L CB -0.353 41.605 42.059 -0.169 0.000 0.913 376 L HN 0.348 nan 8.230 nan 0.000 0.440 377 N N 0.467 119.082 118.700 -0.141 0.000 2.171 377 N HA -0.105 4.635 4.740 0.000 0.000 0.184 377 N C 1.952 177.394 175.510 -0.113 0.000 1.021 377 N CA 1.421 54.403 53.050 -0.114 0.000 0.854 377 N CB -0.189 38.259 38.487 -0.066 0.000 0.994 377 N HN 0.266 nan 8.380 nan 0.000 0.426 378 A N 1.598 124.350 122.820 -0.113 0.000 1.883 378 A HA -0.098 4.222 4.320 0.000 0.000 0.217 378 A C 2.386 179.891 177.584 -0.131 0.000 1.186 378 A CA 1.075 53.054 52.037 -0.097 0.000 0.624 378 A CB -0.841 18.121 19.000 -0.064 0.000 0.822 378 A HN 0.218 nan 8.150 nan 0.000 0.444 379 L N -0.929 120.162 121.223 -0.220 0.000 2.046 379 L HA -0.181 4.159 4.340 0.000 0.000 0.208 379 L C 2.361 179.146 176.870 -0.140 0.000 1.077 379 L CA 1.736 56.459 54.840 -0.195 0.000 0.747 379 L CB -0.570 41.326 42.059 -0.271 0.000 0.896 379 L HN 0.390 nan 8.230 nan 0.000 0.432 380 D N -0.042 120.267 120.400 -0.151 0.000 2.219 380 D HA -0.118 4.522 4.640 0.000 0.000 0.205 380 D C 2.135 178.382 176.300 -0.088 0.000 0.970 380 D CA 1.056 54.981 54.000 -0.124 0.000 0.851 380 D CB 0.209 40.921 40.800 -0.147 0.000 0.943 380 D HN 0.234 nan 8.370 nan 0.000 0.488 381 A N 0.576 123.347 122.820 -0.081 0.000 2.019 381 A HA -0.176 4.144 4.320 0.000 0.000 0.219 381 A C 2.072 179.628 177.584 -0.047 0.000 1.164 381 A CA 1.045 53.048 52.037 -0.057 0.000 0.644 381 A CB -0.349 18.621 19.000 -0.049 0.000 0.805 381 A HN 0.043 nan 8.150 nan 0.000 0.449 382 K N -0.845 119.525 120.400 -0.051 0.000 2.034 382 K HA -0.137 4.183 4.320 0.000 0.000 0.214 382 K C 1.799 178.378 176.600 -0.035 0.000 1.051 382 K CA 1.841 58.104 56.287 -0.040 0.000 0.931 382 K CB -0.760 31.715 32.500 -0.042 0.000 0.715 382 K HN 0.434 nan 8.250 nan 0.000 0.446 383 V N -1.122 118.769 119.914 -0.039 0.000 3.350 383 V HA 0.217 4.337 4.120 0.000 0.000 0.246 383 V C 1.157 177.231 176.094 -0.035 0.000 1.363 383 V CA 0.912 63.193 62.300 -0.033 0.000 1.162 383 V CB 0.613 32.418 31.823 -0.030 0.000 0.947 383 V HN 0.299 nan 8.190 nan 0.000 0.454 384 G N -0.250 108.523 108.800 -0.045 0.000 2.514 384 G HA2 0.107 4.067 3.960 0.000 0.000 0.245 384 G HA3 0.107 4.067 3.960 0.000 0.000 0.245 384 G C 0.167 175.042 174.900 -0.042 0.000 1.488 384 G CA 0.622 45.695 45.100 -0.046 0.000 1.063 384 G HN 0.372 nan 8.290 nan 0.000 0.557 385 D N -0.231 120.142 120.400 -0.045 0.000 2.363 385 D HA 0.174 4.814 4.640 0.000 0.000 0.214 385 D C 1.651 177.924 176.300 -0.045 0.000 1.093 385 D CA 0.793 54.770 54.000 -0.038 0.000 0.837 385 D CB 0.287 41.069 40.800 -0.030 0.000 0.948 385 D HN 0.734 nan 8.370 nan 0.000 0.507 386 G N 2.999 111.763 108.800 -0.061 0.000 2.249 386 G HA2 -0.274 3.686 3.960 0.000 0.000 0.273 386 G HA3 -0.274 3.686 3.960 0.000 0.000 0.273 386 G C 0.394 175.254 174.900 -0.067 0.000 1.036 386 G CA 0.844 45.903 45.100 -0.068 0.000 0.824 386 G HN 0.405 nan 8.290 nan 0.000 0.504 387 D N -2.746 117.609 120.400 -0.076 0.000 2.514 387 D HA 0.081 4.721 4.640 0.000 0.000 0.225 387 D C 1.674 177.914 176.300 -0.100 0.000 1.159 387 D CA 0.802 54.763 54.000 -0.065 0.000 0.823 387 D CB -0.774 40.004 40.800 -0.037 0.000 1.097 387 D HN 0.146 nan 8.370 nan 0.000 0.519 388 T N 0.536 114.987 114.554 -0.173 0.000 2.721 388 T HA -0.129 4.221 4.350 0.000 0.000 0.268 388 T C 1.953 176.421 174.700 -0.387 0.000 1.038 388 T CA 2.146 64.041 62.100 -0.340 0.000 1.145 388 T CB -0.688 67.898 68.868 -0.471 0.000 0.858 388 T HN 0.475 nan 8.240 nan 0.000 0.459 389 G N 0.635 109.289 108.800 -0.243 0.000 2.418 389 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 389 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 389 G C 1.897 176.784 174.900 -0.021 0.000 1.158 389 G CA 1.102 46.123 45.100 -0.133 0.000 0.771 389 G HN 0.519 nan 8.290 nan 0.000 0.545 390 S N 0.285 115.973 115.700 -0.019 0.000 2.368 390 S HA -0.094 4.376 4.470 0.000 0.000 0.224 390 S C 2.559 177.197 174.600 0.062 0.000 1.029 390 S CA 1.642 59.855 58.200 0.021 0.000 0.988 390 S CB -0.438 62.766 63.200 0.006 0.000 0.838 390 S HN 0.448 nan 8.310 nan 0.000 0.462 391 T N 2.066 116.663 114.554 0.071 0.000 2.708 391 T HA -0.040 4.311 4.350 0.000 0.000 0.266 391 T C 1.384 176.255 174.700 0.286 0.000 1.037 391 T CA 1.159 63.350 62.100 0.151 0.000 1.146 391 T CB -0.402 68.564 68.868 0.164 0.000 0.865 391 T HN 0.263 nan 8.240 nan 0.000 0.435 392 F N 1.634 121.581 119.950 -0.004 0.000 2.186 392 F HA 0.167 4.694 4.527 0.000 0.000 0.299 392 F C 2.648 178.444 175.800 -0.006 0.000 1.090 392 F CA -0.039 57.959 58.000 -0.003 0.000 1.307 392 F CB -1.304 37.695 39.000 -0.001 0.000 1.019 392 F HN 0.149 nan 8.300 nan 0.000 0.489 393 A N -0.066 122.871 122.820 0.195 0.000 1.930 393 A HA -0.013 4.307 4.320 0.000 0.000 0.217 393 A C 2.481 180.100 177.584 0.059 0.000 1.175 393 A CA 1.638 53.735 52.037 0.099 0.000 0.627 393 A CB -1.201 17.843 19.000 0.072 0.000 0.815 393 A HN 0.270 nan 8.150 nan 0.000 0.443 394 A N -0.041 122.817 122.820 0.064 0.000 1.908 394 A HA 0.100 4.420 4.320 0.000 0.000 0.218 394 A C 2.494 180.082 177.584 0.007 0.000 1.181 394 A CA 2.272 54.329 52.037 0.034 0.000 0.627 394 A CB -0.974 18.050 19.000 0.041 0.000 0.818 394 A HN 1.043 nan 8.150 nan 0.000 0.445 395 A N -0.406 122.418 122.820 0.006 0.000 1.897 395 A HA 0.265 4.585 4.320 0.000 0.000 0.215 395 A C 2.511 180.051 177.584 -0.073 0.000 1.181 395 A CA 1.845 53.854 52.037 -0.047 0.000 0.620 395 A CB -1.024 17.930 19.000 -0.076 0.000 0.821 395 A HN 1.021 nan 8.150 nan 0.000 0.443 396 A N 0.269 123.060 122.820 -0.047 0.000 1.851 396 A HA -0.215 4.105 4.320 0.000 0.000 0.216 396 A C 2.221 179.761 177.584 -0.072 0.000 1.195 396 A CA 1.792 53.794 52.037 -0.058 0.000 0.622 396 A CB -0.557 18.435 19.000 -0.014 0.000 0.831 396 A HN 0.532 nan 8.150 nan 0.000 0.444 397 R N -0.824 119.649 120.500 -0.044 0.000 2.127 397 R HA -0.158 4.182 4.340 0.000 0.000 0.238 397 R C 2.217 178.469 176.300 -0.079 0.000 1.134 397 R CA 1.471 57.539 56.100 -0.053 0.000 0.975 397 R CB -0.239 30.052 30.300 -0.015 0.000 0.865 397 R HN 0.653 nan 8.270 nan 0.000 0.447 398 E N 0.958 121.116 120.200 -0.071 0.000 2.077 398 E HA -0.142 4.208 4.350 0.000 0.000 0.193 398 E C 1.590 178.122 176.600 -0.114 0.000 0.989 398 E CA 1.246 57.600 56.400 -0.077 0.000 0.800 398 E CB 0.015 29.675 29.700 -0.067 0.000 0.746 398 E HN 0.155 nan 8.360 nan 0.000 0.452 399 I N 0.475 120.960 120.570 -0.141 0.000 2.617 399 I HA -0.009 4.161 4.170 0.000 0.000 0.256 399 I C 2.214 178.211 176.117 -0.201 0.000 1.167 399 I CA 1.049 62.245 61.300 -0.172 0.000 1.469 399 I CB -1.520 36.362 38.000 -0.197 0.000 1.098 399 I HN 0.164 nan 8.210 nan 0.000 0.436 400 A N 0.331 123.011 122.820 -0.233 0.000 1.898 400 A HA -0.180 4.140 4.320 0.000 0.000 0.216 400 A C 2.616 179.846 177.584 -0.591 0.000 1.181 400 A CA 1.932 53.714 52.037 -0.425 0.000 0.620 400 A CB -0.770 18.022 19.000 -0.346 0.000 0.819 400 A HN 0.380 nan 8.150 nan 0.000 0.442 401 S N -0.101 115.420 115.700 -0.299 0.000 2.354 401 S HA -0.169 4.301 4.470 0.000 0.000 0.219 401 S C 1.982 176.518 174.600 -0.106 0.000 1.035 401 S CA 1.691 59.801 58.200 -0.150 0.000 1.037 401 S CB -0.626 62.539 63.200 -0.057 0.000 0.956 401 S HN 0.475 nan 8.310 nan 0.000 0.428 402 L N 0.872 122.036 121.223 -0.098 0.000 2.051 402 L HA -0.169 4.171 4.340 0.000 0.000 0.214 402 L C 2.595 179.435 176.870 -0.050 0.000 1.076 402 L CA 1.427 56.233 54.840 -0.057 0.000 0.758 402 L CB -0.732 41.278 42.059 -0.082 0.000 0.890 402 L HN 0.390 nan 8.230 nan 0.000 0.433 403 L N -0.490 120.664 121.223 -0.115 0.000 1.994 403 L HA -0.237 4.103 4.340 0.000 0.000 0.208 403 L C 2.456 179.356 176.870 0.051 0.000 1.071 403 L CA 1.890 56.691 54.840 -0.065 0.000 0.745 403 L CB -0.649 41.335 42.059 -0.125 0.000 0.892 403 L HN 0.230 nan 8.230 nan 0.000 0.431 404 H N -1.126 117.943 119.070 -0.003 0.000 2.489 404 H HA -0.011 4.545 4.556 0.000 0.000 0.293 404 H C 1.202 176.535 175.328 0.007 0.000 1.066 404 H CA 0.563 56.612 56.048 0.002 0.000 1.305 404 H CB 0.069 29.831 29.762 -0.000 0.000 1.386 404 H HN 0.304 nan 8.280 nan 0.000 0.551 405 R N 0.923 121.494 120.500 0.118 0.000 2.480 405 R HA 0.001 4.341 4.340 0.000 0.000 0.277 405 R C -0.072 176.267 176.300 0.066 0.000 1.008 405 R CA -0.081 56.065 56.100 0.078 0.000 1.090 405 R CB 0.442 30.779 30.300 0.060 0.000 1.234 405 R HN 0.250 nan 8.270 nan 0.000 0.549 406 Q N 0.201 120.042 119.800 0.069 0.000 2.408 406 Q HA -0.233 4.107 4.340 0.000 0.000 0.290 406 Q C 0.416 176.460 176.000 0.073 0.000 1.221 406 Q CA 0.753 56.592 55.803 0.061 0.000 0.895 406 Q CB -0.947 27.821 28.738 0.050 0.000 1.241 406 Q HN 0.261 nan 8.270 nan 0.000 0.494 407 Q N -0.791 119.057 119.800 0.081 0.000 2.282 407 Q HA 0.227 4.567 4.340 0.000 0.000 0.206 407 Q C 0.166 176.265 176.000 0.165 0.000 0.878 407 Q CA 0.293 56.180 55.803 0.141 0.000 0.944 407 Q CB 0.679 29.496 28.738 0.132 0.000 1.100 407 Q HN 0.510 nan 8.270 nan 0.000 0.509 408 L N 3.199 124.457 121.223 0.058 0.000 2.334 408 L HA 0.261 4.601 4.340 0.000 0.000 0.277 408 L C -1.759 175.132 176.870 0.036 0.000 1.075 408 L CA -1.690 53.137 54.840 -0.022 0.000 0.804 408 L CB 1.074 43.098 42.059 -0.060 0.000 1.174 408 L HN -0.185 nan 8.230 nan 0.000 0.438 409 P HA 0.084 nan 4.420 nan 0.000 0.220 409 P C 1.004 178.310 177.300 0.011 0.000 1.778 409 P CA -0.102 63.040 63.100 0.071 0.000 0.912 409 P CB 0.043 31.800 31.700 0.094 0.000 1.861 410 L N -0.338 120.889 121.223 0.008 0.000 2.211 410 L HA -0.223 4.117 4.340 0.000 0.000 0.216 410 L C 1.985 178.850 176.870 -0.009 0.000 1.092 410 L CA 1.427 56.265 54.840 -0.003 0.000 0.767 410 L CB -1.029 41.035 42.059 0.007 0.000 0.894 410 L HN 0.179 nan 8.230 nan 0.000 0.437 411 N N 0.062 118.762 118.700 -0.001 0.000 2.398 411 N HA -0.045 4.695 4.740 0.000 0.000 0.188 411 N C 0.103 175.598 175.510 -0.024 0.000 1.122 411 N CA 0.171 53.216 53.050 -0.009 0.000 0.866 411 N CB 0.131 38.619 38.487 0.002 0.000 0.970 411 N HN 0.314 nan 8.380 nan 0.000 0.462 412 N N 0.056 118.736 118.700 -0.035 0.000 2.609 412 N HA 0.133 4.873 4.740 0.000 0.000 0.268 412 N C 0.436 175.880 175.510 -0.111 0.000 1.106 412 N CA -0.184 52.832 53.050 -0.057 0.000 0.823 412 N CB 0.559 39.032 38.487 -0.023 0.000 1.263 412 N HN -0.051 nan 8.380 nan 0.000 0.533 413 L N 2.161 123.269 121.223 -0.191 0.000 2.013 413 L HA -0.221 4.119 4.340 0.000 0.000 0.212 413 L C 2.598 179.213 176.870 -0.425 0.000 1.073 413 L CA 1.939 56.543 54.840 -0.393 0.000 0.753 413 L CB -0.525 41.205 42.059 -0.549 0.000 0.890 413 L HN 0.643 nan 8.230 nan 0.000 0.432 414 A N -0.273 122.383 122.820 -0.273 0.000 1.869 414 A HA -0.283 4.037 4.320 0.000 0.000 0.218 414 A C 2.316 179.872 177.584 -0.047 0.000 1.203 414 A CA 2.814 54.762 52.037 -0.148 0.000 0.638 414 A CB -1.159 17.792 19.000 -0.081 0.000 0.831 414 A HN 0.444 nan 8.150 nan 0.000 0.450 415 T N -0.240 114.292 114.554 -0.036 0.000 2.867 415 T HA -0.083 4.267 4.350 0.000 0.000 0.268 415 T C 1.811 176.498 174.700 -0.023 0.000 1.057 415 T CA 1.316 63.418 62.100 0.004 0.000 1.136 415 T CB -0.330 68.560 68.868 0.038 0.000 0.874 415 T HN 0.329 nan 8.240 nan 0.000 0.466 416 L N 0.625 121.822 121.223 -0.043 0.000 1.994 416 L HA 0.064 4.404 4.340 0.000 0.000 0.208 416 L C 2.045 178.986 176.870 0.118 0.000 1.071 416 L CA 1.690 56.514 54.840 -0.027 0.000 0.745 416 L CB -0.849 41.203 42.059 -0.012 0.000 0.892 416 L HN 0.297 nan 8.230 nan 0.000 0.431 417 F N -0.430 119.500 119.950 -0.033 0.000 2.102 417 F HA -0.275 4.252 4.527 0.000 0.000 0.298 417 F C 2.527 178.330 175.800 0.005 0.000 1.105 417 F CA 0.536 58.562 58.000 0.043 0.000 1.239 417 F CB -0.529 38.557 39.000 0.143 0.000 0.991 417 F HN 0.283 nan 8.300 nan 0.000 0.474 418 A N 0.096 123.036 122.820 0.199 0.000 1.940 418 A HA -0.241 4.079 4.320 0.000 0.000 0.219 418 A C 1.965 179.559 177.584 0.016 0.000 1.176 418 A CA 1.622 53.719 52.037 0.099 0.000 0.631 418 A CB -0.917 18.126 19.000 0.073 0.000 0.814 418 A HN 0.389 nan 8.150 nan 0.000 0.446 419 L N -0.286 120.900 121.223 -0.062 0.000 2.072 419 L HA -0.016 4.324 4.340 0.000 0.000 0.205 419 L C 2.196 178.959 176.870 -0.178 0.000 1.079 419 L CA 1.566 56.296 54.840 -0.183 0.000 0.752 419 L CB -0.398 41.411 42.059 -0.416 0.000 0.906 419 L HN 0.425 nan 8.230 nan 0.000 0.436 420 I N -0.498 119.950 120.570 -0.205 0.000 2.179 420 I HA -0.204 3.966 4.170 0.000 0.000 0.242 420 I C 2.478 178.463 176.117 -0.220 0.000 1.088 420 I CA 1.291 62.394 61.300 -0.327 0.000 1.357 420 I CB -1.135 36.453 38.000 -0.685 0.000 1.051 420 I HN 0.409 nan 8.210 nan 0.000 0.409 421 G N 0.099 108.850 108.800 -0.082 0.000 2.469 421 G HA2 -0.301 3.659 3.960 0.000 0.000 0.220 421 G HA3 -0.301 3.659 3.960 0.000 0.000 0.220 421 G C 1.577 176.490 174.900 0.021 0.000 1.136 421 G CA 0.915 46.050 45.100 0.058 0.000 0.759 421 G HN 0.469 nan 8.290 nan 0.000 0.562 422 E N -0.033 120.162 120.200 -0.009 0.000 2.112 422 E HA -0.037 4.313 4.350 0.000 0.000 0.190 422 E C 2.604 179.192 176.600 -0.019 0.000 0.979 422 E CA 0.183 56.582 56.400 -0.002 0.000 0.814 422 E CB 0.012 29.713 29.700 0.002 0.000 0.762 422 E HN 0.272 nan 8.360 nan 0.000 0.460 423 R N 0.218 120.684 120.500 -0.057 0.000 2.161 423 R HA 0.031 4.371 4.340 0.000 0.000 0.213 423 R C 2.528 178.794 176.300 -0.055 0.000 1.055 423 R CA 0.258 56.322 56.100 -0.060 0.000 0.996 423 R CB -0.220 30.023 30.300 -0.094 0.000 0.901 423 R HN 0.287 nan 8.270 nan 0.000 0.456 424 L N 0.829 122.013 121.223 -0.066 0.000 1.989 424 L HA -0.200 4.140 4.340 0.000 0.000 0.211 424 L C 2.628 179.490 176.870 -0.013 0.000 1.071 424 L CA 2.187 56.997 54.840 -0.050 0.000 0.749 424 L CB -1.274 40.759 42.059 -0.044 0.000 0.890 424 L HN 0.292 nan 8.230 nan 0.000 0.431 425 T N -2.942 111.615 114.554 0.004 0.000 2.849 425 T HA -0.123 4.227 4.350 0.000 0.000 0.270 425 T C 1.752 176.457 174.700 0.009 0.000 1.066 425 T CA 1.152 63.261 62.100 0.014 0.000 1.130 425 T CB -0.708 68.170 68.868 0.018 0.000 0.864 425 T HN 0.121 nan 8.240 nan 0.000 0.481 426 V N 0.809 120.724 119.914 0.002 0.000 2.548 426 V HA -0.040 4.080 4.120 0.000 0.000 0.249 426 V C 2.680 178.776 176.094 0.002 0.000 1.055 426 V CA 1.138 63.439 62.300 0.002 0.000 1.065 426 V CB -0.302 31.521 31.823 -0.000 0.000 0.681 426 V HN 0.440 nan 8.190 nan 0.000 0.462 427 V N -1.148 118.765 119.914 -0.002 0.000 3.431 427 V HA 0.201 4.321 4.120 0.000 0.000 0.253 427 V C 0.768 176.870 176.094 0.013 0.000 1.184 427 V CA 0.579 62.880 62.300 0.001 0.000 1.104 427 V CB -0.073 31.743 31.823 -0.012 0.000 0.799 427 V HN 0.418 nan 8.190 nan 0.000 0.462 428 M N 0.972 120.582 119.600 0.017 0.000 2.061 428 M HA 0.554 5.035 4.480 0.000 0.000 0.346 428 M C 0.527 176.851 176.300 0.039 0.000 1.112 428 M CA 0.001 55.325 55.300 0.039 0.000 1.021 428 M CB 1.198 33.825 32.600 0.044 0.000 1.530 428 M HN 0.166 nan 8.290 nan 0.000 0.437 429 G N 1.719 110.544 108.800 0.041 0.000 2.562 429 G HA2 0.679 4.639 3.960 0.000 0.000 0.275 429 G HA3 0.679 4.639 3.960 0.000 0.000 0.275 429 G C 0.239 175.164 174.900 0.042 0.000 1.196 429 G CA 0.053 45.173 45.100 0.033 0.000 0.908 429 G HN 1.048 nan 8.290 nan 0.000 0.524 430 G N -0.662 108.158 108.800 0.032 0.000 2.855 430 G HA2 0.028 3.988 3.960 0.000 0.000 0.352 430 G HA3 0.028 3.988 3.960 0.000 0.000 0.352 430 G C 1.371 176.297 174.900 0.044 0.000 1.415 430 G CA 0.712 45.832 45.100 0.034 0.000 0.871 430 G HN 1.932 nan 8.290 nan 0.000 0.543 431 S N -0.929 114.797 115.700 0.043 0.000 2.420 431 S HA -0.150 4.320 4.470 0.000 0.000 0.237 431 S C 2.419 177.063 174.600 0.073 0.000 1.023 431 S CA 2.354 60.584 58.200 0.051 0.000 0.991 431 S CB -0.398 62.828 63.200 0.044 0.000 0.792 431 S HN 1.288 nan 8.310 nan 0.000 0.488 432 S N 1.904 117.664 115.700 0.101 0.000 2.356 432 S HA 0.033 4.503 4.470 0.000 0.000 0.223 432 S C 2.191 176.848 174.600 0.095 0.000 1.032 432 S CA 1.171 59.464 58.200 0.155 0.000 1.005 432 S CB -1.205 62.174 63.200 0.298 0.000 0.867 432 S HN 0.779 nan 8.310 nan 0.000 0.449 433 G N 1.246 110.094 108.800 0.080 0.000 2.421 433 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 433 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 433 G C 1.472 176.402 174.900 0.051 0.000 1.171 433 G CA 1.091 46.221 45.100 0.050 0.000 0.775 433 G HN 0.422 nan 8.290 nan 0.000 0.543 434 V N 0.919 120.864 119.914 0.051 0.000 2.295 434 V HA -0.134 3.986 4.120 0.000 0.000 0.246 434 V C 2.929 179.070 176.094 0.078 0.000 1.049 434 V CA 1.507 63.837 62.300 0.051 0.000 1.024 434 V CB -0.485 31.359 31.823 0.035 0.000 0.648 434 V HN 0.331 nan 8.190 nan 0.000 0.447 435 L N -1.180 120.092 121.223 0.082 0.000 2.017 435 L HA -0.208 4.132 4.340 0.000 0.000 0.208 435 L C 2.650 179.586 176.870 0.110 0.000 1.073 435 L CA 1.408 56.309 54.840 0.101 0.000 0.745 435 L CB -0.522 41.583 42.059 0.078 0.000 0.894 435 L HN 0.280 nan 8.230 nan 0.000 0.432 436 M N -0.864 118.779 119.600 0.071 0.000 2.159 436 M HA -0.164 4.316 4.480 0.000 0.000 0.263 436 M C 2.513 178.977 176.300 0.273 0.000 1.063 436 M CA 1.495 56.861 55.300 0.111 0.000 1.110 436 M CB -1.240 31.378 32.600 0.030 0.000 1.374 436 M HN 0.131 nan 8.290 nan 0.000 0.411 437 S N 0.667 116.475 115.700 0.181 0.000 2.383 437 S HA -0.014 4.456 4.470 0.000 0.000 0.227 437 S C 1.996 176.708 174.600 0.187 0.000 1.026 437 S CA 0.879 59.183 58.200 0.174 0.000 0.981 437 S CB -0.202 63.053 63.200 0.092 0.000 0.818 437 S HN 0.392 nan 8.310 nan 0.000 0.472 438 I N 0.453 121.127 120.570 0.173 0.000 2.179 438 I HA -0.213 3.957 4.170 0.000 0.000 0.242 438 I C 2.103 178.331 176.117 0.184 0.000 1.088 438 I CA 1.330 62.742 61.300 0.186 0.000 1.357 438 I CB -0.381 37.763 38.000 0.240 0.000 1.051 438 I HN 0.237 nan 8.210 nan 0.000 0.409 439 F N 1.627 121.580 119.950 0.005 0.000 2.027 439 F HA -0.324 4.203 4.527 0.000 0.000 0.297 439 F C 2.209 177.891 175.800 -0.197 0.000 1.129 439 F CA 1.924 59.836 58.000 -0.146 0.000 1.195 439 F CB -0.701 38.112 39.000 -0.311 0.000 0.960 439 F HN -0.108 nan 8.300 nan 0.000 0.485 440 F N 0.083 120.028 119.950 -0.008 0.000 2.171 440 F HA -0.187 4.340 4.527 0.000 0.000 0.300 440 F C 2.504 178.256 175.800 -0.080 0.000 1.090 440 F CA 1.742 59.629 58.000 -0.189 0.000 1.293 440 F CB -1.188 37.735 39.000 -0.128 0.000 1.013 440 F HN -0.068 nan 8.300 nan 0.000 0.486 441 T N -0.147 114.503 114.554 0.159 0.000 2.708 441 T HA -0.223 4.127 4.350 0.000 0.000 0.266 441 T C 2.274 177.015 174.700 0.070 0.000 1.037 441 T CA 1.434 63.603 62.100 0.115 0.000 1.146 441 T CB -0.658 68.270 68.868 0.100 0.000 0.865 441 T HN 0.312 nan 8.240 nan 0.000 0.435 442 A N 1.208 124.042 122.820 0.024 0.000 1.930 442 A HA 0.241 4.561 4.320 0.000 0.000 0.217 442 A C 2.601 180.153 177.584 -0.053 0.000 1.175 442 A CA 1.701 53.732 52.037 -0.010 0.000 0.627 442 A CB -0.970 18.018 19.000 -0.020 0.000 0.815 442 A HN 0.503 nan 8.150 nan 0.000 0.443 443 A N -0.356 122.385 122.820 -0.132 0.000 1.873 443 A HA 0.158 4.478 4.320 0.000 0.000 0.215 443 A C 2.424 180.111 177.584 0.171 0.000 1.186 443 A CA 1.797 53.785 52.037 -0.082 0.000 0.616 443 A CB -1.424 17.385 19.000 -0.319 0.000 0.823 443 A HN 0.731 nan 8.150 nan 0.000 0.442 444 G N -1.337 107.622 108.800 0.264 0.000 2.450 444 G HA2 -0.227 3.733 3.960 0.000 0.000 0.220 444 G HA3 -0.227 3.733 3.960 0.000 0.000 0.220 444 G C 1.578 176.531 174.900 0.087 0.000 1.130 444 G CA 1.023 46.265 45.100 0.236 0.000 0.760 444 G HN 0.442 nan 8.290 nan 0.000 0.557 445 Q N -0.173 119.665 119.800 0.063 0.000 2.187 445 Q HA 0.031 4.371 4.340 0.000 0.000 0.199 445 Q C 2.461 178.467 176.000 0.010 0.000 0.957 445 Q CA 0.971 56.792 55.803 0.030 0.000 0.857 445 Q CB -0.043 28.711 28.738 0.027 0.000 0.929 445 Q HN 0.399 nan 8.270 nan 0.000 0.453 446 K N 0.846 121.250 120.400 0.006 0.000 2.097 446 K HA -0.010 4.310 4.320 0.000 0.000 0.205 446 K C 1.983 178.576 176.600 -0.012 0.000 1.050 446 K CA 0.752 57.033 56.287 -0.009 0.000 0.938 446 K CB -0.295 32.193 32.500 -0.020 0.000 0.718 446 K HN 0.119 nan 8.250 nan 0.000 0.442 447 L N 0.255 121.471 121.223 -0.012 0.000 2.056 447 L HA -0.123 4.217 4.340 0.000 0.000 0.207 447 L C 2.217 179.062 176.870 -0.041 0.000 1.078 447 L CA 1.286 56.098 54.840 -0.047 0.000 0.749 447 L CB -0.384 41.606 42.059 -0.115 0.000 0.901 447 L HN 0.207 nan 8.230 nan 0.000 0.433 448 E N 0.445 120.631 120.200 -0.024 0.000 2.209 448 E HA -0.243 4.107 4.350 0.000 0.000 0.196 448 E C 1.913 178.504 176.600 -0.015 0.000 0.993 448 E CA 1.214 57.603 56.400 -0.017 0.000 0.819 448 E CB -0.011 29.688 29.700 -0.002 0.000 0.745 448 E HN 0.440 nan 8.360 nan 0.000 0.477 449 Q N -1.189 118.603 119.800 -0.014 0.000 2.415 449 Q HA 0.157 4.497 4.340 0.000 0.000 0.206 449 Q C 0.483 176.473 176.000 -0.016 0.000 0.946 449 Q CA 0.384 56.179 55.803 -0.013 0.000 0.951 449 Q CB 0.428 29.159 28.738 -0.012 0.000 1.026 449 Q HN 0.359 nan 8.270 nan 0.000 0.510 450 G N 0.634 109.422 108.800 -0.021 0.000 2.256 450 G HA2 -0.230 3.730 3.960 0.000 0.000 0.272 450 G HA3 -0.230 3.730 3.960 0.000 0.000 0.272 450 G C -0.054 174.833 174.900 -0.021 0.000 1.076 450 G CA 0.091 45.178 45.100 -0.023 0.000 0.882 450 G HN 0.476 nan 8.290 nan 0.000 0.497 451 A N -0.393 122.413 122.820 -0.023 0.000 2.281 451 A HA 0.834 5.154 4.320 0.000 0.000 0.329 451 A C 0.465 178.038 177.584 -0.019 0.000 1.122 451 A CA 0.087 52.114 52.037 -0.017 0.000 0.850 451 A CB 0.606 19.598 19.000 -0.013 0.000 1.207 451 A HN 1.489 nan 8.150 nan 0.000 0.495 452 N N -0.414 118.281 118.700 -0.008 0.000 2.424 452 N HA 0.240 4.980 4.740 0.000 0.000 0.257 452 N C 0.683 176.198 175.510 0.008 0.000 1.250 452 N CA -0.042 53.006 53.050 -0.004 0.000 0.946 452 N CB 0.443 38.934 38.487 0.007 0.000 1.175 452 N HN 0.180 nan 8.380 nan 0.000 0.477 453 V N 0.321 120.245 119.914 0.017 0.000 2.252 453 V HA -0.276 3.844 4.120 0.000 0.000 0.249 453 V C 2.228 178.382 176.094 0.100 0.000 1.056 453 V CA 1.851 64.189 62.300 0.062 0.000 1.022 453 V CB -0.836 31.036 31.823 0.082 0.000 0.641 453 V HN 0.638 nan 8.190 nan 0.000 0.445 454 V N -0.426 119.539 119.914 0.085 0.000 2.392 454 V HA -0.299 3.821 4.120 0.000 0.000 0.249 454 V C 2.446 178.574 176.094 0.056 0.000 1.059 454 V CA 2.237 64.590 62.300 0.088 0.000 1.051 454 V CB -0.632 31.237 31.823 0.078 0.000 0.658 454 V HN 0.597 nan 8.190 nan 0.000 0.455 455 E N -0.164 120.057 120.200 0.035 0.000 2.072 455 E HA -0.164 4.186 4.350 0.000 0.000 0.191 455 E C 2.326 178.925 176.600 -0.000 0.000 0.985 455 E CA 1.252 57.660 56.400 0.014 0.000 0.801 455 E CB -0.299 29.404 29.700 0.005 0.000 0.750 455 E HN 0.596 nan 8.360 nan 0.000 0.452 456 A N 0.718 123.543 122.820 0.009 0.000 1.902 456 A HA -0.154 4.166 4.320 0.000 0.000 0.217 456 A C 2.132 179.665 177.584 -0.085 0.000 1.181 456 A CA 0.976 53.009 52.037 -0.007 0.000 0.623 456 A CB -0.616 18.417 19.000 0.056 0.000 0.818 456 A HN 0.194 nan 8.150 nan 0.000 0.443 457 L N -0.291 120.907 121.223 -0.042 0.000 2.083 457 L HA -0.195 4.145 4.340 0.000 0.000 0.209 457 L C 2.391 179.202 176.870 -0.099 0.000 1.083 457 L CA 1.171 55.923 54.840 -0.148 0.000 0.752 457 L CB -0.568 41.546 42.059 0.091 0.000 0.899 457 L HN 0.451 nan 8.230 nan 0.000 0.433 458 N N -0.691 118.001 118.700 -0.014 0.000 2.270 458 N HA -0.121 4.619 4.740 0.000 0.000 0.181 458 N C 1.744 177.239 175.510 -0.026 0.000 1.016 458 N CA 1.586 54.644 53.050 0.013 0.000 0.870 458 N CB 0.083 38.580 38.487 0.016 0.000 0.979 458 N HN 0.272 nan 8.380 nan 0.000 0.431 459 T N -0.207 114.303 114.554 -0.072 0.000 2.821 459 T HA -0.047 4.303 4.350 0.000 0.000 0.267 459 T C 1.801 176.428 174.700 -0.123 0.000 1.046 459 T CA 1.204 63.255 62.100 -0.082 0.000 1.139 459 T CB -0.446 68.375 68.868 -0.079 0.000 0.871 459 T HN 0.341 nan 8.240 nan 0.000 0.454 460 G N 1.529 110.161 108.800 -0.280 0.000 2.418 460 G HA2 -0.158 3.802 3.960 0.000 0.000 0.217 460 G HA3 -0.158 3.802 3.960 0.000 0.000 0.217 460 G C 1.514 176.417 174.900 0.004 0.000 1.158 460 G CA 0.782 45.606 45.100 -0.459 0.000 0.771 460 G HN 0.418 nan 8.290 nan 0.000 0.545 461 L N 1.434 122.754 121.223 0.161 0.000 2.017 461 L HA 0.138 4.478 4.340 0.000 0.000 0.208 461 L C 3.075 180.015 176.870 0.117 0.000 1.073 461 L CA 2.224 57.221 54.840 0.261 0.000 0.745 461 L CB -0.807 41.375 42.059 0.205 0.000 0.894 461 L HN 0.235 nan 8.230 nan 0.000 0.432 462 A N -1.189 121.661 122.820 0.049 0.000 1.908 462 A HA -0.233 4.087 4.320 0.000 0.000 0.218 462 A C 2.162 179.748 177.584 0.002 0.000 1.181 462 A CA 1.765 53.812 52.037 0.016 0.000 0.627 462 A CB -0.537 18.451 19.000 -0.019 0.000 0.818 462 A HN 0.615 nan 8.150 nan 0.000 0.445 463 Q N -1.277 118.514 119.800 -0.014 0.000 2.123 463 Q HA -0.071 4.269 4.340 0.000 0.000 0.199 463 Q C 2.092 178.111 176.000 0.033 0.000 0.966 463 Q CA 1.481 57.245 55.803 -0.064 0.000 0.845 463 Q CB -0.453 28.283 28.738 -0.002 0.000 0.907 463 Q HN 0.819 nan 8.270 nan 0.000 0.439 464 M N 0.640 120.319 119.600 0.133 0.000 2.159 464 M HA -0.194 4.286 4.480 0.000 0.000 0.263 464 M C 1.672 178.038 176.300 0.111 0.000 1.063 464 M CA 1.568 56.971 55.300 0.172 0.000 1.110 464 M CB 0.123 32.833 32.600 0.184 0.000 1.374 464 M HN -0.009 nan 8.290 nan 0.000 0.411 465 K N -0.727 119.716 120.400 0.072 0.000 2.057 465 K HA -0.139 4.181 4.320 0.000 0.000 0.206 465 K C 1.777 178.383 176.600 0.010 0.000 1.050 465 K CA 1.531 57.842 56.287 0.040 0.000 0.935 465 K CB -0.411 32.111 32.500 0.036 0.000 0.715 465 K HN 0.293 nan 8.250 nan 0.000 0.439 466 F N 0.864 120.719 119.950 -0.158 0.000 2.069 466 F HA -0.261 4.266 4.527 0.000 0.000 0.298 466 F C 1.805 177.508 175.800 -0.161 0.000 1.113 466 F CA 1.597 59.454 58.000 -0.238 0.000 1.214 466 F CB -0.276 38.446 39.000 -0.464 0.000 0.978 466 F HN 0.015 nan 8.300 nan 0.000 0.474 467 Y N -0.738 119.612 120.300 0.083 0.000 2.243 467 Y HA 0.048 4.598 4.550 0.000 0.000 0.293 467 Y C 2.712 178.583 175.900 -0.048 0.000 1.124 467 Y CA 0.417 58.517 58.100 0.000 0.000 1.159 467 Y CB -1.061 37.474 38.460 0.125 0.000 1.008 467 Y HN 0.093 nan 8.280 nan 0.000 0.527 468 G N -0.596 108.290 108.800 0.143 0.000 2.443 468 G HA2 0.050 4.010 3.960 0.000 0.000 0.219 468 G HA3 0.050 4.010 3.960 0.000 0.000 0.219 468 G C 1.698 176.602 174.900 0.007 0.000 1.131 468 G CA 0.852 45.995 45.100 0.073 0.000 0.775 468 G HN 0.604 nan 8.290 nan 0.000 0.547 469 G N -0.936 107.839 108.800 -0.041 0.000 2.212 469 G HA2 0.044 4.004 3.960 0.000 0.000 0.266 469 G HA3 0.044 4.004 3.960 0.000 0.000 0.266 469 G C 0.612 175.488 174.900 -0.039 0.000 0.978 469 G CA 0.781 45.839 45.100 -0.070 0.000 0.632 469 G HN 1.474 nan 8.290 nan 0.000 0.537 470 A N -0.375 122.436 122.820 -0.016 0.000 2.351 470 A HA 0.640 4.960 4.320 0.000 0.000 0.257 470 A C 0.127 177.706 177.584 -0.009 0.000 1.087 470 A CA 0.341 52.372 52.037 -0.009 0.000 0.798 470 A CB 0.632 19.633 19.000 0.001 0.000 1.033 470 A HN 0.269 nan 8.150 nan 0.000 0.488 471 D N -0.448 119.946 120.400 -0.010 0.000 2.531 471 D HA 0.275 4.915 4.640 0.000 0.000 0.244 471 D C -0.812 175.483 176.300 -0.009 0.000 1.090 471 D CA -0.419 53.575 54.000 -0.009 0.000 0.989 471 D CB 1.448 42.240 40.800 -0.012 0.000 1.433 471 D HN 0.649 nan 8.370 nan 0.000 0.492 472 E N -0.466 119.728 120.200 -0.010 0.000 2.351 472 E HA 0.339 4.689 4.350 0.000 0.000 0.266 472 E C 0.586 177.177 176.600 -0.015 0.000 1.031 472 E CA 0.564 56.956 56.400 -0.014 0.000 0.911 472 E CB 0.416 30.106 29.700 -0.017 0.000 0.986 472 E HN 0.690 nan 8.360 nan 0.000 0.446 473 G N 4.187 112.977 108.800 -0.015 0.000 2.231 473 G HA2 -0.193 3.767 3.960 0.000 0.000 0.206 473 G HA3 -0.193 3.767 3.960 0.000 0.000 0.206 473 G C 0.495 175.386 174.900 -0.014 0.000 0.996 473 G CA 0.014 45.105 45.100 -0.015 0.000 0.645 473 G HN 0.615 nan 8.290 nan 0.000 0.498 474 D N 1.043 121.435 120.400 -0.012 0.000 2.349 474 D HA 0.171 4.811 4.640 0.000 0.000 0.224 474 D C 1.384 177.677 176.300 -0.011 0.000 1.029 474 D CA 0.311 54.304 54.000 -0.012 0.000 0.879 474 D CB -0.100 40.694 40.800 -0.011 0.000 0.906 474 D HN 0.632 nan 8.370 nan 0.000 0.528 475 R N -0.129 120.365 120.500 -0.011 0.000 3.305 475 R HA -0.118 4.222 4.340 0.000 0.000 0.268 475 R C 0.069 176.365 176.300 -0.008 0.000 1.087 475 R CA 0.792 56.885 56.100 -0.011 0.000 0.725 475 R CB -2.903 27.388 30.300 -0.015 0.000 1.233 475 R HN 0.352 nan 8.270 nan 0.000 0.416 476 T N -3.584 110.969 114.554 -0.002 0.000 2.888 476 T HA 0.564 4.914 4.350 0.000 0.000 0.288 476 T C 1.544 176.253 174.700 0.015 0.000 1.063 476 T CA -0.563 61.542 62.100 0.009 0.000 1.010 476 T CB 1.516 70.392 68.868 0.014 0.000 1.214 476 T HN 0.244 nan 8.240 nan 0.000 0.533 477 M N 0.478 120.100 119.600 0.035 0.000 2.337 477 M HA -0.053 4.427 4.480 0.000 0.000 0.261 477 M C 1.412 177.712 176.300 0.000 0.000 1.067 477 M CA 1.578 56.900 55.300 0.037 0.000 1.074 477 M CB -0.983 31.653 32.600 0.059 0.000 1.395 477 M HN 0.464 nan 8.290 nan 0.000 0.431 478 I N 1.962 122.526 120.570 -0.009 0.000 2.248 478 I HA -0.277 3.893 4.170 0.000 0.000 0.248 478 I C 1.720 177.826 176.117 -0.018 0.000 1.107 478 I CA 1.697 62.987 61.300 -0.016 0.000 1.373 478 I CB -1.682 36.315 38.000 -0.006 0.000 1.055 478 I HN 0.379 nan 8.210 nan 0.000 0.418 479 D N 0.791 121.182 120.400 -0.015 0.000 2.265 479 D HA -0.116 4.524 4.640 0.000 0.000 0.208 479 D C 2.038 178.318 176.300 -0.034 0.000 0.977 479 D CA 1.459 55.446 54.000 -0.022 0.000 0.871 479 D CB 0.207 40.997 40.800 -0.017 0.000 0.925 479 D HN 0.428 nan 8.370 nan 0.000 0.485 480 A N -0.269 122.534 122.820 -0.028 0.000 2.055 480 A HA 0.156 4.476 4.320 0.000 0.000 0.205 480 A C 2.051 179.587 177.584 -0.080 0.000 1.235 480 A CA -0.243 51.767 52.037 -0.044 0.000 0.822 480 A CB -0.202 18.801 19.000 0.005 0.000 0.903 480 A HN 0.124 nan 8.150 nan 0.000 0.473 481 L N -0.293 120.902 121.223 -0.046 0.000 1.994 481 L HA -0.231 4.109 4.340 0.000 0.000 0.208 481 L C 2.778 179.607 176.870 -0.069 0.000 1.071 481 L CA 2.408 57.219 54.840 -0.047 0.000 0.745 481 L CB -0.433 41.601 42.059 -0.041 0.000 0.892 481 L HN 0.632 nan 8.230 nan 0.000 0.431 482 Q N -0.091 119.683 119.800 -0.044 0.000 2.045 482 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 482 Q C -0.613 175.346 176.000 -0.068 0.000 0.991 482 Q CA 2.521 58.303 55.803 -0.034 0.000 0.851 482 Q CB -0.784 27.941 28.738 -0.022 0.000 0.911 482 Q HN 0.298 nan 8.270 nan 0.000 0.418 483 P HA -0.206 nan 4.420 nan 0.000 0.215 483 P C 0.688 177.891 177.300 -0.161 0.000 1.157 483 P CA 2.188 65.221 63.100 -0.112 0.000 0.874 483 P CB -0.228 31.400 31.700 -0.119 0.000 0.790 484 A N -0.690 121.971 122.820 -0.264 0.000 1.877 484 A HA -0.160 4.160 4.320 0.000 0.000 0.216 484 A C 2.215 179.643 177.584 -0.260 0.000 1.186 484 A CA 1.467 53.236 52.037 -0.446 0.000 0.620 484 A CB -1.651 16.727 19.000 -1.037 0.000 0.822 484 A HN 0.110 nan 8.150 nan 0.000 0.443 485 L N -0.739 120.403 121.223 -0.135 0.000 2.201 485 L HA -0.121 4.219 4.340 0.000 0.000 0.212 485 L C 2.607 179.471 176.870 -0.010 0.000 1.105 485 L CA 1.550 56.386 54.840 -0.007 0.000 0.775 485 L CB -0.738 41.354 42.059 0.055 0.000 0.913 485 L HN 0.356 nan 8.230 nan 0.000 0.440 486 T N -1.505 113.026 114.554 -0.038 0.000 2.851 486 T HA -0.150 4.200 4.350 0.000 0.000 0.262 486 T C 2.148 176.831 174.700 -0.028 0.000 1.043 486 T CA 1.465 63.549 62.100 -0.027 0.000 1.140 486 T CB 0.027 68.875 68.868 -0.034 0.000 0.872 486 T HN 0.252 nan 8.240 nan 0.000 0.446 487 S N 1.044 116.713 115.700 -0.053 0.000 2.359 487 S HA -0.048 4.422 4.470 0.000 0.000 0.224 487 S C 2.015 176.609 174.600 -0.009 0.000 1.035 487 S CA 1.049 59.224 58.200 -0.042 0.000 1.018 487 S CB -0.532 62.624 63.200 -0.073 0.000 0.876 487 S HN 0.427 nan 8.310 nan 0.000 0.448 488 L N 0.643 121.868 121.223 0.003 0.000 2.131 488 L HA -0.043 4.297 4.340 0.000 0.000 0.210 488 L C 2.375 179.268 176.870 0.039 0.000 1.092 488 L CA 0.528 55.395 54.840 0.046 0.000 0.759 488 L CB -0.430 41.686 42.059 0.094 0.000 0.903 488 L HN 0.331 nan 8.230 nan 0.000 0.435 489 L N -0.251 120.987 121.223 0.026 0.000 2.201 489 L HA -0.115 4.225 4.340 0.000 0.000 0.212 489 L C 2.378 179.258 176.870 0.016 0.000 1.105 489 L CA 1.810 56.663 54.840 0.022 0.000 0.775 489 L CB -0.528 41.539 42.059 0.014 0.000 0.913 489 L HN 0.160 nan 8.230 nan 0.000 0.440 490 A N -2.005 120.821 122.820 0.011 0.000 1.973 490 A HA 0.101 4.421 4.320 0.000 0.000 0.210 490 A C 1.202 178.795 177.584 0.014 0.000 1.200 490 A CA 0.204 52.246 52.037 0.009 0.000 0.707 490 A CB 0.021 19.022 19.000 0.002 0.000 0.862 490 A HN 0.453 nan 8.150 nan 0.000 0.461 491 Q N -0.509 119.302 119.800 0.020 0.000 2.965 491 Q HA 0.214 4.554 4.340 0.000 0.000 0.288 491 Q C -2.181 173.844 176.000 0.041 0.000 0.974 491 Q CA -1.857 53.962 55.803 0.027 0.000 0.849 491 Q CB 1.346 30.100 28.738 0.026 0.000 1.280 491 Q HN 0.217 nan 8.270 nan 0.000 0.441 492 P HA -0.257 nan 4.420 nan 0.000 0.218 492 P C 0.772 178.109 177.300 0.063 0.000 1.147 492 P CA 1.515 64.646 63.100 0.052 0.000 0.827 492 P CB 0.279 32.003 31.700 0.040 0.000 0.778 493 K N -2.165 118.268 120.400 0.055 0.000 2.402 493 K HA 0.056 4.376 4.320 0.000 0.000 0.203 493 K C 0.446 177.085 176.600 0.066 0.000 1.077 493 K CA -0.147 56.175 56.287 0.058 0.000 1.051 493 K CB 0.120 32.646 32.500 0.043 0.000 0.907 493 K HN -0.138 nan 8.250 nan 0.000 0.554 494 N N 2.449 121.189 118.700 0.066 0.000 2.739 494 N HA 0.044 4.784 4.740 0.000 0.000 0.266 494 N C 0.687 176.258 175.510 0.101 0.000 1.168 494 N CA 0.049 53.142 53.050 0.070 0.000 1.055 494 N CB 0.293 38.812 38.487 0.053 0.000 1.393 494 N HN 0.273 nan 8.380 nan 0.000 0.514 495 L N 1.354 122.650 121.223 0.120 0.000 2.201 495 L HA -0.157 4.183 4.340 0.000 0.000 0.212 495 L C 2.240 179.234 176.870 0.207 0.000 1.105 495 L CA 0.787 55.734 54.840 0.178 0.000 0.775 495 L CB -0.100 42.051 42.059 0.152 0.000 0.913 495 L HN 0.450 nan 8.230 nan 0.000 0.440 496 Q N 0.464 120.362 119.800 0.163 0.000 2.079 496 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 496 Q C 2.194 178.304 176.000 0.184 0.000 0.974 496 Q CA 2.009 57.934 55.803 0.203 0.000 0.840 496 Q CB -0.184 28.638 28.738 0.140 0.000 0.898 496 Q HN 0.412 nan 8.270 nan 0.000 0.430 497 A N 0.419 123.302 122.820 0.105 0.000 1.877 497 A HA -0.015 4.305 4.320 0.000 0.000 0.216 497 A C 2.327 179.916 177.584 0.007 0.000 1.186 497 A CA 1.894 53.956 52.037 0.041 0.000 0.620 497 A CB -1.277 17.738 19.000 0.025 0.000 0.822 497 A HN 0.532 nan 8.150 nan 0.000 0.443 498 A N -0.722 122.120 122.820 0.037 0.000 1.883 498 A HA -0.100 4.220 4.320 0.000 0.000 0.217 498 A C 2.067 179.585 177.584 -0.109 0.000 1.186 498 A CA 1.866 53.859 52.037 -0.074 0.000 0.624 498 A CB -0.828 18.178 19.000 0.010 0.000 0.822 498 A HN 0.857 nan 8.150 nan 0.000 0.444 499 F N 1.305 121.245 119.950 -0.015 0.000 2.075 499 F HA -0.184 4.343 4.527 0.000 0.000 0.297 499 F C 1.728 177.519 175.800 -0.015 0.000 1.113 499 F CA 2.145 60.169 58.000 0.040 0.000 1.218 499 F CB -0.902 38.170 39.000 0.119 0.000 0.984 499 F HN 0.351 nan 8.300 nan 0.000 0.472 500 D N 0.102 120.230 120.400 -0.454 0.000 2.133 500 D HA -0.201 4.439 4.640 0.000 0.000 0.195 500 D C 2.246 178.320 176.300 -0.376 0.000 0.997 500 D CA 1.667 55.339 54.000 -0.547 0.000 0.840 500 D CB -0.328 40.336 40.800 -0.227 0.000 0.947 500 D HN 0.388 nan 8.370 nan 0.000 0.452 501 A N 0.399 123.068 122.820 -0.253 0.000 1.855 501 A HA 0.034 4.354 4.320 0.000 0.000 0.215 501 A C 2.372 179.826 177.584 -0.217 0.000 1.191 501 A CA 2.156 54.072 52.037 -0.201 0.000 0.613 501 A CB -1.170 17.728 19.000 -0.171 0.000 0.829 501 A HN 0.303 nan 8.150 nan 0.000 0.442 502 A N -0.920 121.747 122.820 -0.254 0.000 1.883 502 A HA -0.246 4.074 4.320 0.000 0.000 0.217 502 A C 2.164 179.659 177.584 -0.148 0.000 1.186 502 A CA 2.309 54.232 52.037 -0.190 0.000 0.624 502 A CB -0.605 18.295 19.000 -0.167 0.000 0.822 502 A HN 0.546 nan 8.150 nan 0.000 0.444 503 Q N -0.034 119.603 119.800 -0.271 0.000 2.096 503 Q HA -0.089 4.251 4.340 0.000 0.000 0.204 503 Q C 2.021 177.921 176.000 -0.167 0.000 0.982 503 Q CA 2.347 57.995 55.803 -0.258 0.000 0.850 503 Q CB -0.670 27.703 28.738 -0.608 0.000 0.901 503 Q HN 0.570 nan 8.270 nan 0.000 0.422 504 A N -0.363 122.348 122.820 -0.182 0.000 1.877 504 A HA -0.021 4.299 4.320 0.000 0.000 0.216 504 A C 2.323 179.858 177.584 -0.082 0.000 1.186 504 A CA 1.612 53.578 52.037 -0.118 0.000 0.620 504 A CB -1.394 17.536 19.000 -0.116 0.000 0.822 504 A HN 0.551 nan 8.150 nan 0.000 0.443 505 G N -0.520 108.229 108.800 -0.085 0.000 2.422 505 G HA2 -0.003 3.957 3.960 0.000 0.000 0.218 505 G HA3 -0.003 3.957 3.960 0.000 0.000 0.218 505 G C 1.722 176.600 174.900 -0.038 0.000 1.146 505 G CA 1.467 46.531 45.100 -0.059 0.000 0.769 505 G HN 0.797 nan 8.290 nan 0.000 0.547 506 A N 0.824 123.625 122.820 -0.032 0.000 1.902 506 A HA 0.003 4.323 4.320 0.000 0.000 0.217 506 A C 2.145 179.725 177.584 -0.007 0.000 1.181 506 A CA 1.893 53.927 52.037 -0.004 0.000 0.623 506 A CB -0.377 18.637 19.000 0.023 0.000 0.818 506 A HN 0.444 nan 8.150 nan 0.000 0.443 507 E N -0.562 119.626 120.200 -0.020 0.000 2.110 507 E HA -0.164 4.186 4.350 0.000 0.000 0.193 507 E C 2.266 178.856 176.600 -0.018 0.000 0.988 507 E CA 0.863 57.253 56.400 -0.017 0.000 0.804 507 E CB -0.143 29.540 29.700 -0.029 0.000 0.745 507 E HN 0.481 nan 8.360 nan 0.000 0.458 508 R N 0.121 120.606 120.500 -0.025 0.000 2.120 508 R HA -0.107 4.233 4.340 0.000 0.000 0.234 508 R C 2.569 178.858 176.300 -0.017 0.000 1.123 508 R CA 1.676 57.762 56.100 -0.023 0.000 0.975 508 R CB -0.443 29.841 30.300 -0.027 0.000 0.866 508 R HN 0.298 nan 8.270 nan 0.000 0.446 509 T N -2.528 112.017 114.554 -0.015 0.000 3.035 509 T HA -0.091 4.259 4.350 0.000 0.000 0.268 509 T C 2.070 176.763 174.700 -0.012 0.000 1.109 509 T CA 0.894 62.986 62.100 -0.013 0.000 1.119 509 T CB -0.392 68.469 68.868 -0.011 0.000 0.900 509 T HN 0.219 nan 8.240 nan 0.000 0.503 510 C N 0.535 119.830 119.300 -0.009 0.000 2.446 510 C HA 0.317 4.777 4.460 0.000 0.000 0.279 510 C C 2.671 177.656 174.990 -0.009 0.000 1.366 510 C CA -0.066 58.948 59.018 -0.007 0.000 1.763 510 C CB -1.291 26.448 27.740 -0.001 0.000 1.929 510 C HN 0.569 nan 8.230 nan 0.000 0.509 511 L N 1.264 122.481 121.223 -0.010 0.000 2.007 511 L HA -0.062 4.278 4.340 0.000 0.000 0.205 511 L C 2.473 179.336 176.870 -0.011 0.000 1.073 511 L CA 1.832 56.666 54.840 -0.011 0.000 0.744 511 L CB -0.941 41.111 42.059 -0.012 0.000 0.898 511 L HN 0.314 nan 8.230 nan 0.000 0.435 512 S N -1.075 114.618 115.700 -0.013 0.000 2.723 512 S HA -0.053 4.417 4.470 0.000 0.000 0.231 512 S C 0.967 175.559 174.600 -0.013 0.000 0.967 512 S CA -0.095 58.097 58.200 -0.013 0.000 0.958 512 S CB -0.575 62.617 63.200 -0.014 0.000 0.778 512 S HN 0.276 nan 8.310 nan 0.000 0.537 513 S N 1.385 117.077 115.700 -0.013 0.000 2.443 513 S HA 0.202 4.672 4.470 0.000 0.000 0.284 513 S C 1.138 175.730 174.600 -0.014 0.000 1.206 513 S CA -0.610 57.581 58.200 -0.015 0.000 1.074 513 S CB 0.372 63.563 63.200 -0.015 0.000 0.963 513 S HN 0.494 nan 8.310 nan 0.000 0.501 514 K N 4.013 124.404 120.400 -0.014 0.000 1.984 514 K HA 0.023 4.343 4.320 0.000 0.000 0.209 514 K C 1.062 177.654 176.600 -0.013 0.000 1.046 514 K CA 1.064 57.343 56.287 -0.013 0.000 0.934 514 K CB -0.394 32.098 32.500 -0.013 0.000 0.717 514 K HN 0.738 nan 8.250 nan 0.000 0.438 515 A N 2.430 125.242 122.820 -0.015 0.000 2.524 515 A HA -0.057 4.263 4.320 0.000 0.000 0.271 515 A C 0.221 177.797 177.584 -0.014 0.000 1.097 515 A CA 0.717 52.745 52.037 -0.015 0.000 0.791 515 A CB -0.491 18.498 19.000 -0.018 0.000 1.028 515 A HN 0.562 nan 8.150 nan 0.000 0.518 516 N N 0.058 118.751 118.700 -0.011 0.000 2.427 516 N HA 0.119 4.859 4.740 0.000 0.000 0.204 516 N C 0.092 175.597 175.510 -0.008 0.000 1.385 516 N CA 0.517 53.561 53.050 -0.010 0.000 1.563 516 N CB -0.640 37.841 38.487 -0.009 0.000 1.122 516 N HN 0.848 nan 8.380 nan 0.000 0.662 527 S N 1.710 117.414 115.700 0.007 0.000 2.489 527 S HA 0.104 4.574 4.470 0.000 0.000 0.228 527 S C 1.435 176.041 174.600 0.010 0.000 0.995 527 S CA 0.819 59.025 58.200 0.009 0.000 0.934 527 S CB -0.109 63.099 63.200 0.013 0.000 0.771 527 S HN 0.435 nan 8.310 nan 0.000 0.522 528 L N -0.531 120.697 121.223 0.008 0.000 4.367 528 L HA -0.206 4.134 4.340 0.000 0.000 0.424 528 L C 0.998 177.874 176.870 0.011 0.000 1.152 528 L CA 0.360 55.204 54.840 0.006 0.000 0.974 528 L CB -1.906 40.154 42.059 0.002 0.000 2.012 528 L HN 0.408 nan 8.230 nan 0.000 0.922 529 L N -0.409 120.827 121.223 0.021 0.000 2.551 529 L HA -0.021 4.319 4.340 0.000 0.000 0.228 529 L C 2.224 179.117 176.870 0.037 0.000 1.153 529 L CA 1.207 56.069 54.840 0.036 0.000 0.851 529 L CB -0.309 41.781 42.059 0.051 0.000 0.959 529 L HN 0.477 nan 8.230 nan 0.000 0.451 530 G N -0.968 107.844 108.800 0.021 0.000 2.985 530 G HA2 -0.096 3.864 3.960 0.000 0.000 0.209 530 G HA3 -0.096 3.864 3.960 0.000 0.000 0.209 530 G C 0.944 175.835 174.900 -0.015 0.000 1.165 530 G CA -0.095 45.009 45.100 0.006 0.000 0.776 530 G HN 0.258 nan 8.290 nan 0.000 0.541 531 N N 0.199 118.893 118.700 -0.010 0.000 2.214 531 N HA 0.193 4.933 4.740 0.000 0.000 0.214 531 N C 0.299 175.797 175.510 -0.020 0.000 1.132 531 N CA -0.204 52.835 53.050 -0.018 0.000 0.856 531 N CB 0.422 38.902 38.487 -0.012 0.000 1.020 531 N HN 0.308 nan 8.380 nan 0.000 0.509 532 M N 1.005 120.595 119.600 -0.018 0.000 2.217 532 M HA 0.057 4.537 4.480 0.000 0.000 0.354 532 M C -0.321 175.956 176.300 -0.038 0.000 1.225 532 M CA -0.375 54.916 55.300 -0.015 0.000 1.137 532 M CB 0.666 33.272 32.600 0.010 0.000 1.576 532 M HN -0.051 nan 8.290 nan 0.000 0.461 533 D N 5.574 125.956 120.400 -0.030 0.000 2.390 533 D HA 0.155 4.795 4.640 0.000 0.000 0.249 533 D C -2.044 174.222 176.300 -0.056 0.000 1.144 533 D CA -1.344 52.629 54.000 -0.044 0.000 0.880 533 D CB 1.203 41.987 40.800 -0.026 0.000 1.182 533 D HN 0.309 nan 8.370 nan 0.000 0.451 534 P HA -0.054 nan 4.420 nan 0.000 0.215 534 P C 1.321 178.563 177.300 -0.095 0.000 1.153 534 P CA 1.350 64.358 63.100 -0.153 0.000 0.853 534 P CB 0.044 31.588 31.700 -0.259 0.000 0.788 535 G N 0.280 109.040 108.800 -0.067 0.000 2.514 535 G HA2 -0.318 3.642 3.960 0.000 0.000 0.217 535 G HA3 -0.318 3.642 3.960 0.000 0.000 0.217 535 G C 1.691 176.666 174.900 0.124 0.000 1.198 535 G CA 1.304 46.465 45.100 0.101 0.000 0.780 535 G HN 0.330 nan 8.290 nan 0.000 0.565 536 A N 0.524 123.382 122.820 0.063 0.000 1.865 536 A HA -0.165 4.155 4.320 0.000 0.000 0.217 536 A C 2.364 180.002 177.584 0.090 0.000 1.191 536 A CA 2.548 54.621 52.037 0.061 0.000 0.623 536 A CB -0.697 18.320 19.000 0.028 0.000 0.826 536 A HN 0.495 nan 8.150 nan 0.000 0.444 537 Q N -0.313 119.534 119.800 0.079 0.000 2.061 537 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 537 Q C 2.146 178.237 176.000 0.151 0.000 0.984 537 Q CA 3.435 59.305 55.803 0.112 0.000 0.846 537 Q CB -0.727 28.068 28.738 0.096 0.000 0.902 537 Q HN 0.567 nan 8.270 nan 0.000 0.421 538 R N 0.628 121.219 120.500 0.151 0.000 2.091 538 R HA -0.099 4.241 4.340 0.000 0.000 0.238 538 R C 2.346 178.764 176.300 0.198 0.000 1.136 538 R CA 1.702 57.921 56.100 0.199 0.000 0.959 538 R CB -1.697 28.795 30.300 0.319 0.000 0.856 538 R HN 0.526 nan 8.270 nan 0.000 0.437 539 L N -0.375 120.968 121.223 0.199 0.000 2.027 539 L HA -0.027 4.314 4.340 0.000 0.000 0.206 539 L C 3.048 180.118 176.870 0.333 0.000 1.074 539 L CA 1.618 56.594 54.840 0.227 0.000 0.745 539 L CB -0.332 41.834 42.059 0.177 0.000 0.898 539 L HN 0.482 nan 8.230 nan 0.000 0.433 540 A N -0.904 122.079 122.820 0.272 0.000 1.933 540 A HA -0.217 4.103 4.320 0.000 0.000 0.218 540 A C 2.183 180.006 177.584 0.399 0.000 1.175 540 A CA 1.708 53.953 52.037 0.347 0.000 0.628 540 A CB -0.403 18.744 19.000 0.245 0.000 0.814 540 A HN 0.398 nan 8.150 nan 0.000 0.444 541 M N -0.523 119.229 119.600 0.253 0.000 2.229 541 M HA -0.053 4.427 4.480 0.000 0.000 0.264 541 M C 2.174 178.527 176.300 0.088 0.000 1.063 541 M CA 0.971 56.361 55.300 0.149 0.000 1.114 541 M CB -1.349 31.321 32.600 0.117 0.000 1.387 541 M HN 0.232 nan 8.290 nan 0.000 0.420 542 V N 0.061 120.041 119.914 0.109 0.000 2.237 542 V HA -0.270 3.850 4.120 0.000 0.000 0.245 542 V C 2.217 178.270 176.094 -0.068 0.000 1.046 542 V CA 1.903 64.194 62.300 -0.014 0.000 1.007 542 V CB -0.809 30.968 31.823 -0.076 0.000 0.638 542 V HN 0.202 nan 8.190 nan 0.000 0.445 543 F N 0.417 120.417 119.950 0.083 0.000 2.171 543 F HA -0.169 4.359 4.527 0.000 0.000 0.300 543 F C 2.432 178.225 175.800 -0.012 0.000 1.090 543 F CA 2.066 60.127 58.000 0.102 0.000 1.293 543 F CB -0.394 38.729 39.000 0.206 0.000 1.013 543 F HN 0.053 nan 8.300 nan 0.000 0.486 544 K N 0.607 120.995 120.400 -0.021 0.000 2.063 544 K HA -0.206 4.114 4.320 0.000 0.000 0.208 544 K C 2.275 178.668 176.600 -0.345 0.000 1.048 544 K CA 1.333 57.185 56.287 -0.723 0.000 0.928 544 K CB -0.334 31.660 32.500 -0.844 0.000 0.713 544 K HN 0.213 nan 8.250 nan 0.000 0.442 545 A N 1.426 124.142 122.820 -0.173 0.000 1.902 545 A HA -0.127 4.193 4.320 0.000 0.000 0.217 545 A C 2.151 179.681 177.584 -0.089 0.000 1.181 545 A CA 1.329 53.296 52.037 -0.116 0.000 0.623 545 A CB -0.603 18.351 19.000 -0.077 0.000 0.818 545 A HN 0.328 nan 8.150 nan 0.000 0.443 546 L N -0.872 120.303 121.223 -0.080 0.000 2.017 546 L HA -0.205 4.135 4.340 0.000 0.000 0.208 546 L C 3.095 179.959 176.870 -0.008 0.000 1.073 546 L CA 1.179 55.990 54.840 -0.048 0.000 0.745 546 L CB -0.621 41.395 42.059 -0.072 0.000 0.894 546 L HN 0.448 nan 8.230 nan 0.000 0.432 547 A N -0.168 122.655 122.820 0.005 0.000 1.972 547 A HA -0.182 4.138 4.320 0.000 0.000 0.219 547 A C 1.991 179.564 177.584 -0.019 0.000 1.169 547 A CA 1.353 53.405 52.037 0.025 0.000 0.635 547 A CB -0.374 18.664 19.000 0.063 0.000 0.810 547 A HN 0.489 nan 8.150 nan 0.000 0.446 548 E N 0.283 120.441 120.200 -0.070 0.000 2.502 548 E HA -0.030 4.320 4.350 0.000 0.000 0.194 548 E C 1.317 177.897 176.600 -0.034 0.000 1.062 548 E CA 0.666 57.029 56.400 -0.061 0.000 0.867 548 E CB -0.031 29.612 29.700 -0.096 0.000 0.888 548 E HN 0.741 nan 8.360 nan 0.000 0.510 549 S N -0.171 115.515 115.700 -0.023 0.000 2.557 549 S HA 0.126 4.596 4.470 0.000 0.000 0.223 549 S C 0.462 175.062 174.600 -0.000 0.000 0.969 549 S CA -0.356 57.836 58.200 -0.013 0.000 0.927 549 S CB 0.390 63.581 63.200 -0.014 0.000 0.806 549 S HN -0.042 nan 8.310 nan 0.000 0.489 550 E N 0.000 120.204 120.200 0.006 0.000 2.725 550 E HA 0.000 4.350 4.350 0.000 0.000 0.291 550 E CA 0.000 56.410 56.400 0.016 0.000 0.976 550 E CB 0.000 29.716 29.700 0.027 0.000 0.812 550 E HN 0.000 nan 8.360 nan 0.000 0.440