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 1wf4_1_b DATA FIRST_RESID 3 DATA SEQUENCE AKILVFDEAA RRALERGVNA VANAVKVTLG PRGRNVVLEK KFGSPTITKD DATA SEQUENCE GVTVAKEVEL EDHLENIGAQ LLKEVASKTN DVAGDGTTTA TVLAQAIVRE DATA SEQUENCE GLKNVAAGAN PLALKRGIEK AVEAAVEKIK ALAIPVEDRK AIEEVATISA DATA SEQUENCE NDPEVGKLIA DAMEKVGKEG IITVEESKSL ETELKFVEGY QFDKGYISPY DATA SEQUENCE FVTNPETMEA VLEDAFILIV EKKVSNVREL LPILEQVAQT GKPLLIIAED DATA SEQUENCE VEGEALATLV VNKLRGTLSV AAVKAPGFGD RRKEMLKDIA AVTGGTVISE DATA SEQUENCE ELGFKLENAT LSMLGRAERV RITKDETTIV GGKGKKEDIE ARINGIKKEL DATA SEQUENCE ETTDSEYARE KLQERLAKLA GGVAVIRVGA ATETELKEKK HRFEDALNAT DATA SEQUENCE RAAVEEGIVP GGGVTLLRAI SAVEELIKKL EGDEATGAKI VRRALEEPAR DATA SEQUENCE QIAENAGYEG SVIVQQILAE TKNPRYGFNA ATGEFVDMVE AGIVDPAKVT DATA SEQUENCE RSALQNAASI GALILTTEAV VAEKPE 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.544 177.584 -0.066 0.000 1.274 3 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 3 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 4 K N 0.248 120.617 120.400 -0.052 0.000 2.106 4 K HA 0.697 5.017 4.320 -0.000 0.000 0.246 4 K C -0.789 175.783 176.600 -0.047 0.000 0.987 4 K CA -0.294 55.957 56.287 -0.061 0.000 0.904 4 K CB 1.942 34.413 32.500 -0.048 0.000 1.071 4 K HN 0.596 nan 8.250 nan 0.000 0.453 5 I N 0.987 121.526 120.570 -0.051 0.000 2.534 5 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 5 I C -1.569 174.531 176.117 -0.028 0.000 1.077 5 I CA -0.865 60.420 61.300 -0.025 0.000 1.051 5 I CB 1.147 39.130 38.000 -0.029 0.000 1.234 5 I HN 0.376 nan 8.210 nan 0.000 0.425 6 L N 8.150 129.380 121.223 0.012 0.000 2.277 6 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 6 L C -0.637 176.249 176.870 0.026 0.000 1.028 6 L CA -0.785 54.035 54.840 -0.032 0.000 0.835 6 L CB 1.378 43.472 42.059 0.059 0.000 1.215 6 L HN 0.348 nan 8.230 nan 0.000 0.425 7 V N 3.573 123.426 119.914 -0.101 0.000 2.427 7 V HA 0.470 4.590 4.120 -0.000 0.000 0.286 7 V C -0.089 175.948 176.094 -0.096 0.000 1.034 7 V CA -0.273 62.037 62.300 0.017 0.000 0.893 7 V CB 1.471 33.296 31.823 0.003 0.000 0.982 7 V HN 0.364 nan 8.190 nan 0.000 0.452 8 F N 0.658 120.609 119.950 0.002 0.000 2.671 8 F HA 0.523 5.050 4.527 -0.000 0.000 0.373 8 F C 1.024 176.826 175.800 0.003 0.000 1.122 8 F CA -0.684 57.318 58.000 0.002 0.000 1.082 8 F CB 0.272 39.273 39.000 0.001 0.000 1.399 8 F HN 0.539 nan 8.300 nan 0.000 0.509 9 D N 0.350 120.902 120.400 0.254 0.000 3.386 9 D HA -0.260 4.380 4.640 -0.000 0.000 0.179 9 D C 1.504 177.853 176.300 0.081 0.000 1.267 9 D CA 1.599 55.678 54.000 0.132 0.000 0.931 9 D CB -0.043 40.821 40.800 0.108 0.000 0.533 9 D HN 0.595 nan 8.370 nan 0.000 0.543 10 E N -0.171 120.065 120.200 0.060 0.000 2.171 10 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 10 E C 1.935 178.559 176.600 0.041 0.000 0.997 10 E CA 1.451 57.876 56.400 0.042 0.000 0.810 10 E CB -0.466 29.253 29.700 0.032 0.000 0.738 10 E HN 0.463 nan 8.360 nan 0.000 0.467 11 A N 1.506 124.359 122.820 0.055 0.000 1.883 11 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 11 A C 2.443 180.051 177.584 0.040 0.000 1.186 11 A CA 2.323 54.390 52.037 0.050 0.000 0.624 11 A CB -0.619 18.423 19.000 0.069 0.000 0.822 11 A HN 0.303 nan 8.150 nan 0.000 0.444 12 A N -0.158 122.688 122.820 0.043 0.000 1.841 12 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 12 A C 2.219 179.810 177.584 0.012 0.000 1.195 12 A CA 1.492 53.538 52.037 0.016 0.000 0.611 12 A CB -0.574 18.423 19.000 -0.005 0.000 0.835 12 A HN 0.544 nan 8.150 nan 0.000 0.443 13 R N -0.972 119.538 120.500 0.016 0.000 2.103 13 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 13 R C 2.336 178.643 176.300 0.012 0.000 1.142 13 R CA 1.496 57.604 56.100 0.012 0.000 0.960 13 R CB -0.393 29.916 30.300 0.016 0.000 0.858 13 R HN 0.304 nan 8.270 nan 0.000 0.439 14 R N 0.599 121.109 120.500 0.015 0.000 2.073 14 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 14 R C 2.270 178.576 176.300 0.011 0.000 1.134 14 R CA 1.607 57.715 56.100 0.013 0.000 0.952 14 R CB -1.090 29.219 30.300 0.015 0.000 0.850 14 R HN 0.291 nan 8.270 nan 0.000 0.433 15 A N 1.359 124.187 122.820 0.013 0.000 1.865 15 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 15 A C 2.448 180.036 177.584 0.007 0.000 1.191 15 A CA 1.345 53.389 52.037 0.012 0.000 0.623 15 A CB -0.720 18.289 19.000 0.016 0.000 0.826 15 A HN 0.199 nan 8.150 nan 0.000 0.444 16 L N -0.932 120.294 121.223 0.005 0.000 1.970 16 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 16 L C 2.744 179.615 176.870 0.002 0.000 1.071 16 L CA 2.141 56.982 54.840 0.002 0.000 0.751 16 L CB -0.700 41.359 42.059 -0.000 0.000 0.889 16 L HN 0.654 nan 8.230 nan 0.000 0.432 17 E N 0.315 120.517 120.200 0.003 0.000 2.114 17 E HA -0.291 4.059 4.350 -0.000 0.000 0.199 17 E C 2.316 178.917 176.600 0.002 0.000 1.008 17 E CA 1.474 57.876 56.400 0.003 0.000 0.810 17 E CB 0.016 29.718 29.700 0.005 0.000 0.739 17 E HN 0.303 nan 8.360 nan 0.000 0.456 18 R N -0.503 119.998 120.500 0.002 0.000 2.091 18 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 18 R C 2.507 178.805 176.300 -0.002 0.000 1.136 18 R CA 1.346 57.447 56.100 0.001 0.000 0.959 18 R CB -0.567 29.734 30.300 0.002 0.000 0.856 18 R HN 0.336 nan 8.270 nan 0.000 0.437 19 G N 0.194 108.992 108.800 -0.003 0.000 2.433 19 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 19 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 19 G C 1.461 176.358 174.900 -0.006 0.000 1.186 19 G CA 0.902 45.998 45.100 -0.007 0.000 0.779 19 G HN 0.145 nan 8.290 nan 0.000 0.543 20 V N 1.883 121.795 119.914 -0.004 0.000 2.250 20 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 20 V C 2.688 178.780 176.094 -0.003 0.000 1.060 20 V CA 2.139 64.437 62.300 -0.003 0.000 1.030 20 V CB -0.545 31.278 31.823 -0.001 0.000 0.643 20 V HN 0.378 nan 8.190 nan 0.000 0.445 21 N N 0.157 118.856 118.700 -0.002 0.000 2.166 21 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 21 N C 1.929 177.437 175.510 -0.004 0.000 1.019 21 N CA 1.560 54.609 53.050 -0.002 0.000 0.856 21 N CB -0.422 38.064 38.487 -0.001 0.000 0.993 21 N HN 0.524 nan 8.380 nan 0.000 0.426 22 A N 1.121 123.938 122.820 -0.006 0.000 1.873 22 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 22 A C 2.577 180.155 177.584 -0.009 0.000 1.193 22 A CA 1.718 53.750 52.037 -0.008 0.000 0.629 22 A CB -0.892 18.102 19.000 -0.011 0.000 0.826 22 A HN 0.109 nan 8.150 nan 0.000 0.447 23 V N -0.388 119.521 119.914 -0.009 0.000 2.255 23 V HA -0.176 3.944 4.120 -0.000 0.000 0.243 23 V C 3.086 179.176 176.094 -0.007 0.000 1.038 23 V CA 1.872 64.167 62.300 -0.009 0.000 1.008 23 V CB -1.417 30.401 31.823 -0.009 0.000 0.645 23 V HN 0.644 nan 8.190 nan 0.000 0.449 24 A N 0.828 123.646 122.820 -0.004 0.000 1.940 24 A HA -0.307 4.013 4.320 -0.000 0.000 0.221 24 A C 1.954 179.537 177.584 -0.002 0.000 1.190 24 A CA 2.472 54.508 52.037 -0.002 0.000 0.647 24 A CB -0.790 18.209 19.000 -0.001 0.000 0.821 24 A HN 0.647 nan 8.150 nan 0.000 0.457 25 N N -0.184 118.515 118.700 -0.003 0.000 2.457 25 N HA 0.045 4.785 4.740 -0.000 0.000 0.180 25 N C 1.661 177.169 175.510 -0.004 0.000 1.050 25 N CA 1.170 54.219 53.050 -0.002 0.000 0.906 25 N CB -0.382 38.104 38.487 -0.002 0.000 0.968 25 N HN 0.532 nan 8.380 nan 0.000 0.445 26 A N 0.437 123.254 122.820 -0.006 0.000 1.970 26 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 26 A C 2.396 179.975 177.584 -0.007 0.000 1.170 26 A CA 0.630 52.663 52.037 -0.008 0.000 0.645 26 A CB -0.352 18.642 19.000 -0.011 0.000 0.816 26 A HN 0.051 nan 8.150 nan 0.000 0.447 27 V N 1.513 121.423 119.914 -0.006 0.000 2.239 27 V HA -0.281 3.839 4.120 -0.000 0.000 0.242 27 V C 2.503 178.596 176.094 -0.002 0.000 1.038 27 V CA 2.292 64.589 62.300 -0.005 0.000 1.002 27 V CB -0.859 30.962 31.823 -0.004 0.000 0.641 27 V HN 0.835 nan 8.190 nan 0.000 0.449 28 K N 0.691 121.091 120.400 -0.000 0.000 2.304 28 K HA -0.195 4.125 4.320 -0.000 0.000 0.204 28 K C 1.687 178.289 176.600 0.004 0.000 1.044 28 K CA 1.873 58.162 56.287 0.003 0.000 0.932 28 K CB -0.926 31.576 32.500 0.004 0.000 0.735 28 K HN 0.342 nan 8.250 nan 0.000 0.468 29 V N 2.181 122.096 119.914 0.002 0.000 2.828 29 V HA -0.226 3.894 4.120 -0.000 0.000 0.260 29 V C 2.486 178.581 176.094 0.002 0.000 1.101 29 V CA 2.100 64.401 62.300 0.003 0.000 1.123 29 V CB -0.946 30.876 31.823 -0.001 0.000 0.704 29 V HN 0.785 nan 8.190 nan 0.000 0.493 30 T N -3.069 111.485 114.554 0.001 0.000 3.039 30 T HA 0.149 4.499 4.350 -0.000 0.000 0.250 30 T C 0.759 175.459 174.700 0.000 0.000 1.052 30 T CA -0.251 61.849 62.100 -0.000 0.000 1.125 30 T CB -0.149 68.718 68.868 -0.002 0.000 0.908 30 T HN 0.184 nan 8.240 nan 0.000 0.473 31 L N 3.053 124.277 121.223 0.002 0.000 2.667 31 L HA 0.355 4.695 4.340 -0.000 0.000 0.296 31 L C 1.016 177.885 176.870 -0.002 0.000 1.252 31 L CA 1.835 56.675 54.840 -0.000 0.000 0.891 31 L CB -0.984 41.077 42.059 0.003 0.000 1.141 31 L HN 0.893 nan 8.230 nan 0.000 0.501 32 G N 3.895 112.687 108.800 -0.012 0.000 2.828 32 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.463 32 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.463 32 G C -1.874 173.009 174.900 -0.028 0.000 1.394 32 G CA -0.231 44.856 45.100 -0.023 0.000 0.862 32 G HN 0.668 nan 8.290 nan 0.000 0.540 33 P HA -0.035 nan 4.420 nan 0.000 0.219 33 P C 1.377 178.661 177.300 -0.026 0.000 1.150 33 P CA 1.044 64.116 63.100 -0.047 0.000 0.814 33 P CB 0.109 31.763 31.700 -0.076 0.000 0.787 34 R N -0.022 120.473 120.500 -0.009 0.000 2.317 34 R HA 0.210 4.550 4.340 -0.000 0.000 0.208 34 R C 1.391 177.699 176.300 0.012 0.000 0.914 34 R CA 0.009 56.117 56.100 0.012 0.000 1.060 34 R CB -0.999 29.329 30.300 0.048 0.000 1.015 34 R HN 0.154 nan 8.270 nan 0.000 0.498 35 G N 1.447 110.250 108.800 0.005 0.000 2.568 35 G HA2 0.020 3.980 3.960 -0.000 0.000 0.231 35 G HA3 0.020 3.980 3.960 -0.000 0.000 0.231 35 G C -0.085 174.816 174.900 0.002 0.000 1.261 35 G CA -0.158 44.945 45.100 0.005 0.000 0.855 35 G HN 0.176 nan 8.290 nan 0.000 0.576 36 R N 0.302 120.803 120.500 0.002 0.000 2.893 36 R HA 0.387 4.727 4.340 -0.000 0.000 0.245 36 R C -0.097 176.200 176.300 -0.004 0.000 1.192 36 R CA -0.916 55.184 56.100 -0.001 0.000 1.077 36 R CB 0.831 31.131 30.300 0.000 0.000 1.253 36 R HN 0.528 nan 8.270 nan 0.000 0.505 37 N N -0.385 118.311 118.700 -0.006 0.000 2.466 37 N HA 0.332 5.072 4.740 -0.000 0.000 0.294 37 N C -0.969 174.534 175.510 -0.012 0.000 1.129 37 N CA -0.474 52.570 53.050 -0.010 0.000 0.931 37 N CB 1.682 40.163 38.487 -0.011 0.000 1.193 37 N HN 0.083 nan 8.380 nan 0.000 0.500 38 V N 0.958 120.863 119.914 -0.016 0.000 2.612 38 V HA 0.347 4.467 4.120 -0.000 0.000 0.301 38 V C 0.105 176.187 176.094 -0.020 0.000 1.046 38 V CA -0.803 61.487 62.300 -0.017 0.000 0.946 38 V CB 1.972 33.783 31.823 -0.020 0.000 1.003 38 V HN 0.308 nan 8.190 nan 0.000 0.459 39 V N 5.864 125.767 119.914 -0.019 0.000 2.311 39 V HA 0.386 4.506 4.120 -0.000 0.000 0.275 39 V C -0.165 175.917 176.094 -0.021 0.000 1.022 39 V CA -0.339 61.950 62.300 -0.019 0.000 0.830 39 V CB 1.151 32.965 31.823 -0.015 0.000 1.012 39 V HN 0.586 nan 8.190 nan 0.000 0.452 40 L N 4.451 125.660 121.223 -0.024 0.000 2.264 40 L HA 0.496 4.836 4.340 -0.000 0.000 0.289 40 L C 0.579 177.436 176.870 -0.020 0.000 1.044 40 L CA -0.253 54.572 54.840 -0.024 0.000 0.807 40 L CB 1.236 43.278 42.059 -0.028 0.000 1.192 40 L HN 0.643 nan 8.230 nan 0.000 0.425 41 E N 4.096 124.284 120.200 -0.022 0.000 2.344 41 E HA 0.108 4.458 4.350 -0.000 0.000 0.270 41 E C -0.829 175.759 176.600 -0.019 0.000 1.021 41 E CA -0.488 55.899 56.400 -0.023 0.000 0.887 41 E CB 0.739 30.420 29.700 -0.031 0.000 0.997 41 E HN 0.290 nan 8.360 nan 0.000 0.429 42 K N 3.597 123.991 120.400 -0.011 0.000 2.164 42 K HA 0.192 4.512 4.320 -0.000 0.000 0.258 42 K C 0.640 177.234 176.600 -0.009 0.000 0.951 42 K CA -0.566 55.726 56.287 0.009 0.000 0.844 42 K CB 1.411 33.932 32.500 0.035 0.000 1.099 42 K HN 0.473 nan 8.250 nan 0.000 0.435 43 K N 0.895 121.297 120.400 0.003 0.000 2.127 43 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 43 K C 1.001 177.387 176.600 -0.358 0.000 1.047 43 K CA 1.907 58.113 56.287 -0.135 0.000 0.927 43 K CB -0.077 32.428 32.500 0.008 0.000 0.716 43 K HN 0.358 nan 8.250 nan 0.000 0.450 44 F N -0.923 119.021 119.950 -0.010 0.000 2.463 44 F HA 0.213 4.740 4.527 -0.000 0.000 0.271 44 F C 1.788 177.583 175.800 -0.009 0.000 0.888 44 F CA -0.057 57.938 58.000 -0.009 0.000 1.149 44 F CB -0.712 38.283 39.000 -0.008 0.000 1.071 44 F HN -0.034 nan 8.300 nan 0.000 0.802 45 G N 0.282 109.202 108.800 0.200 0.000 2.468 45 G HA2 0.310 4.270 3.960 -0.000 0.000 0.264 45 G HA3 0.310 4.270 3.960 -0.000 0.000 0.264 45 G C 0.168 175.102 174.900 0.055 0.000 1.460 45 G CA 0.199 45.360 45.100 0.103 0.000 1.060 45 G HN 0.319 nan 8.290 nan 0.000 0.543 46 S N 0.608 116.330 115.700 0.036 0.000 2.608 46 S HA 0.460 4.930 4.470 -0.000 0.000 0.261 46 S C -1.701 172.907 174.600 0.015 0.000 1.314 46 S CA -0.641 57.571 58.200 0.019 0.000 0.992 46 S CB 1.398 64.607 63.200 0.014 0.000 0.935 46 S HN 0.556 nan 8.310 nan 0.000 0.564 47 P HA 0.296 nan 4.420 nan 0.000 0.289 47 P C -0.728 176.570 177.300 -0.004 0.000 1.299 47 P CA -0.440 62.659 63.100 -0.002 0.000 0.766 47 P CB 0.224 31.919 31.700 -0.009 0.000 1.226 48 T N 0.744 115.290 114.554 -0.012 0.000 2.767 48 T HA 0.483 4.833 4.350 -0.000 0.000 0.284 48 T C 0.149 174.833 174.700 -0.027 0.000 0.973 48 T CA -0.238 61.849 62.100 -0.022 0.000 0.996 48 T CB -0.130 68.717 68.868 -0.034 0.000 0.927 48 T HN 0.182 nan 8.240 nan 0.000 0.456 49 I N 4.235 124.791 120.570 -0.025 0.000 2.388 49 I HA 0.284 4.454 4.170 -0.000 0.000 0.281 49 I C 0.469 176.567 176.117 -0.032 0.000 1.046 49 I CA -0.412 60.874 61.300 -0.023 0.000 1.187 49 I CB 0.915 38.907 38.000 -0.013 0.000 1.351 49 I HN 0.583 nan 8.210 nan 0.000 0.472 50 T N 3.842 118.369 114.554 -0.044 0.000 2.870 50 T HA 0.395 4.745 4.350 -0.000 0.000 0.277 50 T C 0.524 175.205 174.700 -0.033 0.000 1.000 50 T CA -0.747 61.319 62.100 -0.058 0.000 0.982 50 T CB 2.351 71.155 68.868 -0.107 0.000 1.249 50 T HN 0.554 nan 8.240 nan 0.000 0.589 51 K N 0.041 120.426 120.400 -0.025 0.000 2.603 51 K HA 0.115 4.435 4.320 -0.000 0.000 0.195 51 K C -0.767 175.835 176.600 0.004 0.000 1.213 51 K CA -0.119 56.164 56.287 -0.006 0.000 1.084 51 K CB 0.694 33.196 32.500 0.004 0.000 0.981 51 K HN 0.587 nan 8.250 nan 0.000 0.577 52 D N 0.052 120.444 120.400 -0.014 0.000 2.249 52 D HA 0.131 4.771 4.640 -0.000 0.000 0.246 52 D C 0.849 177.146 176.300 -0.005 0.000 1.114 52 D CA 0.106 54.112 54.000 0.010 0.000 0.854 52 D CB 1.696 42.483 40.800 -0.020 0.000 1.132 52 D HN 0.330 nan 8.370 nan 0.000 0.461 53 G N 3.146 111.954 108.800 0.014 0.000 2.806 53 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.214 53 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.214 53 G C 1.708 176.607 174.900 -0.001 0.000 1.331 53 G CA 2.202 47.306 45.100 0.005 0.000 0.807 53 G HN 0.547 nan 8.290 nan 0.000 0.644 54 V N -0.571 119.348 119.914 0.008 0.000 2.357 54 V HA -0.276 3.844 4.120 -0.000 0.000 0.257 54 V C 2.738 178.826 176.094 -0.011 0.000 1.082 54 V CA 2.969 65.272 62.300 0.004 0.000 1.078 54 V CB -1.841 29.992 31.823 0.016 0.000 0.663 54 V HN 0.412 nan 8.190 nan 0.000 0.455 55 T N 0.418 114.956 114.554 -0.027 0.000 2.684 55 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 55 T C 1.957 176.632 174.700 -0.043 0.000 1.036 55 T CA 1.951 64.018 62.100 -0.055 0.000 1.148 55 T CB -0.425 68.371 68.868 -0.121 0.000 0.863 55 T HN 0.393 nan 8.240 nan 0.000 0.436 56 V N 1.714 121.606 119.914 -0.037 0.000 2.244 56 V HA -0.139 3.981 4.120 -0.000 0.000 0.244 56 V C 2.946 179.027 176.094 -0.021 0.000 1.042 56 V CA 1.650 63.933 62.300 -0.029 0.000 1.006 56 V CB -1.377 30.431 31.823 -0.024 0.000 0.641 56 V HN 0.537 nan 8.190 nan 0.000 0.446 57 A N -0.157 122.654 122.820 -0.016 0.000 1.915 57 A HA -0.353 3.967 4.320 -0.000 0.000 0.220 57 A C 2.242 179.818 177.584 -0.013 0.000 1.198 57 A CA 2.575 54.605 52.037 -0.012 0.000 0.647 57 A CB -0.617 18.378 19.000 -0.007 0.000 0.825 57 A HN 0.585 nan 8.150 nan 0.000 0.456 58 K N -0.821 119.571 120.400 -0.014 0.000 2.209 58 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 58 K C 1.597 178.187 176.600 -0.015 0.000 1.048 58 K CA 1.152 57.431 56.287 -0.013 0.000 0.940 58 K CB -0.060 32.433 32.500 -0.012 0.000 0.729 58 K HN 0.444 nan 8.250 nan 0.000 0.451 59 E N 0.600 120.788 120.200 -0.019 0.000 2.427 59 E HA -0.025 4.325 4.350 -0.000 0.000 0.196 59 E C 0.124 176.712 176.600 -0.021 0.000 1.028 59 E CA 0.279 56.667 56.400 -0.019 0.000 0.864 59 E CB 0.172 29.859 29.700 -0.022 0.000 0.813 59 E HN -0.022 nan 8.360 nan 0.000 0.514 60 V N 2.312 122.214 119.914 -0.020 0.000 2.470 60 V HA 0.052 4.172 4.120 -0.000 0.000 0.276 60 V C 0.069 176.148 176.094 -0.024 0.000 1.040 60 V CA 0.125 62.412 62.300 -0.021 0.000 1.008 60 V CB 0.806 32.618 31.823 -0.019 0.000 0.990 60 V HN 0.006 nan 8.190 nan 0.000 0.477 61 E N 4.718 124.900 120.200 -0.029 0.000 2.244 61 E HA 0.507 4.857 4.350 -0.000 0.000 0.260 61 E C -1.124 175.449 176.600 -0.046 0.000 0.884 61 E CA -0.379 55.999 56.400 -0.037 0.000 0.777 61 E CB 1.224 30.902 29.700 -0.037 0.000 1.197 61 E HN 0.591 nan 8.360 nan 0.000 0.416 62 L N 3.668 124.859 121.223 -0.053 0.000 2.375 62 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 62 L C 1.535 178.348 176.870 -0.094 0.000 1.107 62 L CA -0.269 54.535 54.840 -0.060 0.000 0.806 62 L CB 1.357 43.386 42.059 -0.050 0.000 1.146 62 L HN 0.735 nan 8.230 nan 0.000 0.447 63 E N 1.024 121.171 120.200 -0.087 0.000 2.152 63 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 63 E C 0.126 176.630 176.600 -0.159 0.000 0.983 63 E CA 0.487 56.819 56.400 -0.114 0.000 0.818 63 E CB 0.350 30.009 29.700 -0.069 0.000 0.758 63 E HN 0.684 nan 8.360 nan 0.000 0.467 64 D N -0.535 119.801 120.400 -0.106 0.000 2.295 64 D HA -0.010 4.630 4.640 -0.000 0.000 0.248 64 D C 0.957 177.201 176.300 -0.092 0.000 1.154 64 D CA -0.047 53.909 54.000 -0.073 0.000 0.857 64 D CB 0.623 41.415 40.800 -0.014 0.000 1.117 64 D HN 0.104 nan 8.370 nan 0.000 0.468 65 H N 3.436 122.502 119.070 -0.007 0.000 2.267 65 H HA -0.193 4.363 4.556 -0.000 0.000 0.291 65 H C 1.781 177.102 175.328 -0.012 0.000 1.094 65 H CA 1.623 57.665 56.048 -0.010 0.000 1.227 65 H CB -0.065 29.691 29.762 -0.011 0.000 1.351 65 H HN 0.500 nan 8.280 nan 0.000 0.483 66 L N 0.468 121.757 121.223 0.111 0.000 2.046 66 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 66 L C 2.548 179.431 176.870 0.023 0.000 1.077 66 L CA 1.272 56.142 54.840 0.051 0.000 0.747 66 L CB -0.501 41.580 42.059 0.036 0.000 0.896 66 L HN 0.300 nan 8.230 nan 0.000 0.432 67 E N 0.060 120.268 120.200 0.012 0.000 2.110 67 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 67 E C 1.875 178.469 176.600 -0.011 0.000 0.988 67 E CA 1.231 57.630 56.400 -0.002 0.000 0.804 67 E CB -0.051 29.644 29.700 -0.008 0.000 0.745 67 E HN 0.389 nan 8.360 nan 0.000 0.458 68 N N 0.896 119.584 118.700 -0.021 0.000 2.142 68 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 68 N C 1.664 177.167 175.510 -0.012 0.000 1.023 68 N CA 0.933 53.964 53.050 -0.031 0.000 0.852 68 N CB -0.046 38.402 38.487 -0.065 0.000 0.998 68 N HN 0.081 nan 8.380 nan 0.000 0.424 69 I N -0.198 120.374 120.570 0.003 0.000 2.248 69 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 69 I C 2.263 178.380 176.117 -0.000 0.000 1.107 69 I CA 1.440 62.744 61.300 0.007 0.000 1.373 69 I CB -0.790 37.218 38.000 0.012 0.000 1.055 69 I HN 0.305 nan 8.210 nan 0.000 0.418 70 G N 0.349 109.148 108.800 -0.002 0.000 2.402 70 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 70 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 70 G C 1.891 176.788 174.900 -0.005 0.000 1.162 70 G CA 0.720 45.818 45.100 -0.003 0.000 0.777 70 G HN 0.487 nan 8.290 nan 0.000 0.539 71 A N 0.151 122.966 122.820 -0.008 0.000 1.940 71 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 71 A C 2.418 179.996 177.584 -0.009 0.000 1.176 71 A CA 1.996 54.026 52.037 -0.010 0.000 0.631 71 A CB -0.333 18.657 19.000 -0.016 0.000 0.814 71 A HN 0.342 nan 8.150 nan 0.000 0.446 72 Q N -0.141 119.654 119.800 -0.008 0.000 1.967 72 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 72 Q C 2.249 178.246 176.000 -0.004 0.000 0.985 72 Q CA 1.447 57.247 55.803 -0.006 0.000 0.839 72 Q CB -0.772 27.963 28.738 -0.004 0.000 0.906 72 Q HN 0.707 nan 8.270 nan 0.000 0.423 73 L N 0.472 121.693 121.223 -0.003 0.000 2.103 73 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 73 L C 2.453 179.321 176.870 -0.002 0.000 1.080 73 L CA 0.866 55.705 54.840 -0.003 0.000 0.764 73 L CB -0.570 41.487 42.059 -0.003 0.000 0.890 73 L HN 0.173 nan 8.230 nan 0.000 0.435 74 L N -0.443 120.778 121.223 -0.003 0.000 2.072 74 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 74 L C 2.508 179.377 176.870 -0.002 0.000 1.079 74 L CA 1.627 56.466 54.840 -0.002 0.000 0.752 74 L CB -0.392 41.665 42.059 -0.003 0.000 0.906 74 L HN 0.049 nan 8.230 nan 0.000 0.436 75 K N -0.431 119.967 120.400 -0.003 0.000 2.074 75 K HA -0.282 4.038 4.320 -0.000 0.000 0.209 75 K C 2.043 178.642 176.600 -0.001 0.000 1.048 75 K CA 1.918 58.203 56.287 -0.003 0.000 0.926 75 K CB -0.187 32.310 32.500 -0.005 0.000 0.713 75 K HN 0.471 nan 8.250 nan 0.000 0.444 76 E N 0.726 120.925 120.200 -0.001 0.000 2.058 76 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 76 E C 1.911 178.512 176.600 0.002 0.000 0.997 76 E CA 1.338 57.738 56.400 0.000 0.000 0.801 76 E CB 0.094 29.794 29.700 -0.000 0.000 0.746 76 E HN 0.026 nan 8.360 nan 0.000 0.450 77 V N 1.247 121.162 119.914 0.002 0.000 2.324 77 V HA -0.330 3.790 4.120 -0.000 0.000 0.250 77 V C 2.433 178.529 176.094 0.004 0.000 1.060 77 V CA 1.955 64.257 62.300 0.003 0.000 1.042 77 V CB -0.904 30.921 31.823 0.002 0.000 0.650 77 V HN 0.484 nan 8.190 nan 0.000 0.450 78 A N 0.656 123.478 122.820 0.003 0.000 1.845 78 A HA -0.234 4.086 4.320 -0.000 0.000 0.215 78 A C 2.594 180.183 177.584 0.008 0.000 1.195 78 A CA 2.673 54.713 52.037 0.005 0.000 0.616 78 A CB -0.979 18.024 19.000 0.004 0.000 0.832 78 A HN 0.685 nan 8.150 nan 0.000 0.443 79 S N 0.012 115.716 115.700 0.007 0.000 2.348 79 S HA -0.219 4.251 4.470 -0.000 0.000 0.221 79 S C 1.914 176.519 174.600 0.010 0.000 1.033 79 S CA 1.822 60.027 58.200 0.009 0.000 1.010 79 S CB -0.451 62.753 63.200 0.006 0.000 0.891 79 S HN 0.416 nan 8.310 nan 0.000 0.442 80 K N 1.448 121.853 120.400 0.007 0.000 2.286 80 K HA -0.033 4.287 4.320 -0.000 0.000 0.203 80 K C 1.880 178.485 176.600 0.008 0.000 1.045 80 K CA 1.936 58.228 56.287 0.007 0.000 0.935 80 K CB -1.125 31.378 32.500 0.006 0.000 0.737 80 K HN 0.525 nan 8.250 nan 0.000 0.460 81 T N -0.238 114.321 114.554 0.009 0.000 2.978 81 T HA -0.029 4.321 4.350 -0.000 0.000 0.262 81 T C 1.452 176.159 174.700 0.011 0.000 1.063 81 T CA 1.164 63.269 62.100 0.009 0.000 1.140 81 T CB -0.302 68.571 68.868 0.008 0.000 0.886 81 T HN 0.377 nan 8.240 nan 0.000 0.470 82 N N 1.340 120.049 118.700 0.015 0.000 2.216 82 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 82 N C 1.353 176.874 175.510 0.018 0.000 1.017 82 N CA 1.137 54.199 53.050 0.021 0.000 0.861 82 N CB -0.114 38.390 38.487 0.028 0.000 0.986 82 N HN 0.163 nan 8.380 nan 0.000 0.428 83 D N -0.529 119.880 120.400 0.016 0.000 2.097 83 D HA -0.070 4.570 4.640 -0.000 0.000 0.197 83 D C 1.796 178.104 176.300 0.014 0.000 0.984 83 D CA 0.897 54.906 54.000 0.015 0.000 0.826 83 D CB -0.359 40.449 40.800 0.013 0.000 0.973 83 D HN 0.093 nan 8.370 nan 0.000 0.460 84 V N 0.067 119.988 119.914 0.011 0.000 2.970 84 V HA 0.059 4.179 4.120 -0.000 0.000 0.260 84 V C 1.704 177.803 176.094 0.008 0.000 1.100 84 V CA 1.509 63.814 62.300 0.010 0.000 1.122 84 V CB 0.012 31.840 31.823 0.008 0.000 0.721 84 V HN 0.267 nan 8.190 nan 0.000 0.483 85 A N -2.010 120.814 122.820 0.008 0.000 2.533 85 A HA 0.506 4.825 4.320 -0.000 0.000 0.180 85 A C 1.748 179.333 177.584 0.003 0.000 1.566 85 A CA 0.955 52.995 52.037 0.004 0.000 1.153 85 A CB 0.363 19.365 19.000 0.003 0.000 1.462 85 A HN 1.043 nan 8.150 nan 0.000 0.523 86 G N -0.439 108.365 108.800 0.007 0.000 2.220 86 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.269 86 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.269 86 G C -0.040 174.862 174.900 0.004 0.000 0.977 86 G CA 1.090 46.194 45.100 0.006 0.000 0.634 86 G HN 0.980 nan 8.290 nan 0.000 0.539 87 D N -2.395 118.007 120.400 0.003 0.000 2.583 87 D HA 0.585 5.225 4.640 -0.000 0.000 0.248 87 D C 0.770 177.073 176.300 0.004 0.000 1.209 87 D CA 0.997 54.998 54.000 0.002 0.000 0.848 87 D CB 0.728 41.521 40.800 -0.012 0.000 1.431 87 D HN 1.347 nan 8.370 nan 0.000 0.436 88 G N 0.624 109.426 108.800 0.004 0.000 2.137 88 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.237 88 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.237 88 G C 0.905 175.808 174.900 0.006 0.000 1.002 88 G CA 1.120 46.221 45.100 0.002 0.000 0.702 88 G HN 0.733 nan 8.290 nan 0.000 0.515 89 T N -2.460 112.101 114.554 0.012 0.000 2.701 89 T HA -0.097 4.253 4.350 -0.000 0.000 0.263 89 T C 2.278 176.983 174.700 0.008 0.000 1.040 89 T CA 2.349 64.457 62.100 0.013 0.000 1.147 89 T CB -0.673 68.207 68.868 0.020 0.000 0.865 89 T HN 0.309 nan 8.240 nan 0.000 0.426 90 T N 2.202 116.761 114.554 0.008 0.000 2.635 90 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 90 T C 2.255 176.956 174.700 0.003 0.000 1.040 90 T CA 2.034 64.137 62.100 0.005 0.000 1.156 90 T CB -1.172 67.698 68.868 0.004 0.000 0.863 90 T HN 0.495 nan 8.240 nan 0.000 0.430 91 T N 1.780 116.335 114.554 0.002 0.000 2.737 91 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 91 T C 2.310 177.011 174.700 0.002 0.000 1.040 91 T CA 1.236 63.336 62.100 0.000 0.000 1.142 91 T CB -0.508 68.359 68.868 -0.002 0.000 0.861 91 T HN 0.470 nan 8.240 nan 0.000 0.456 92 A N 1.115 123.937 122.820 0.003 0.000 1.929 92 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 92 A C 2.535 180.121 177.584 0.003 0.000 1.176 92 A CA 1.848 53.886 52.037 0.003 0.000 0.628 92 A CB -1.046 17.956 19.000 0.004 0.000 0.816 92 A HN 0.491 nan 8.150 nan 0.000 0.444 93 T N -0.045 114.511 114.554 0.003 0.000 2.614 93 T HA -0.152 4.198 4.350 -0.000 0.000 0.263 93 T C 1.891 176.592 174.700 0.002 0.000 1.055 93 T CA 1.700 63.801 62.100 0.002 0.000 1.162 93 T CB -0.755 68.113 68.868 0.001 0.000 0.863 93 T HN 0.121 nan 8.240 nan 0.000 0.414 94 V N 1.850 121.765 119.914 0.002 0.000 2.231 94 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 94 V C 2.589 178.685 176.094 0.003 0.000 1.058 94 V CA 1.816 64.118 62.300 0.003 0.000 1.022 94 V CB -0.868 30.957 31.823 0.003 0.000 0.640 94 V HN 0.426 nan 8.190 nan 0.000 0.445 95 L N -0.306 120.919 121.223 0.003 0.000 2.187 95 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 95 L C 2.574 179.446 176.870 0.004 0.000 1.100 95 L CA 1.418 56.260 54.840 0.004 0.000 0.765 95 L CB -0.709 41.352 42.059 0.003 0.000 0.904 95 L HN 0.399 nan 8.230 nan 0.000 0.437 96 A N -0.613 122.209 122.820 0.003 0.000 1.854 96 A HA -0.237 4.083 4.320 -0.000 0.000 0.214 96 A C 2.251 179.837 177.584 0.003 0.000 1.192 96 A CA 1.435 53.473 52.037 0.003 0.000 0.611 96 A CB -0.529 18.472 19.000 0.002 0.000 0.832 96 A HN 0.429 nan 8.150 nan 0.000 0.442 97 Q N -0.307 119.494 119.800 0.003 0.000 2.045 97 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 97 Q C 2.211 178.213 176.000 0.004 0.000 0.991 97 Q CA 2.197 58.002 55.803 0.003 0.000 0.851 97 Q CB -0.425 28.314 28.738 0.002 0.000 0.911 97 Q HN 0.583 nan 8.270 nan 0.000 0.418 98 A N 0.940 123.762 122.820 0.004 0.000 1.873 98 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 98 A C 2.044 179.631 177.584 0.005 0.000 1.193 98 A CA 1.904 53.944 52.037 0.005 0.000 0.629 98 A CB -0.990 18.013 19.000 0.005 0.000 0.826 98 A HN 0.557 nan 8.150 nan 0.000 0.447 99 I N -0.383 120.190 120.570 0.005 0.000 2.286 99 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 99 I C 2.301 178.421 176.117 0.005 0.000 1.115 99 I CA 1.175 62.478 61.300 0.005 0.000 1.392 99 I CB -0.373 37.629 38.000 0.004 0.000 1.065 99 I HN 0.179 nan 8.210 nan 0.000 0.418 100 V N 1.819 121.735 119.914 0.004 0.000 2.307 100 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 100 V C 2.653 178.750 176.094 0.005 0.000 1.045 100 V CA 2.238 64.540 62.300 0.004 0.000 1.024 100 V CB -0.867 30.958 31.823 0.003 0.000 0.651 100 V HN 0.525 nan 8.190 nan 0.000 0.449 101 R N 1.023 121.526 120.500 0.005 0.000 2.064 101 R HA -0.187 4.153 4.340 -0.000 0.000 0.228 101 R C 2.156 178.459 176.300 0.006 0.000 1.144 101 R CA 1.928 58.032 56.100 0.005 0.000 0.932 101 R CB -0.807 29.496 30.300 0.005 0.000 0.833 101 R HN 0.397 nan 8.270 nan 0.000 0.429 102 E N 0.910 121.114 120.200 0.006 0.000 2.219 102 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 102 E C 1.857 178.460 176.600 0.006 0.000 0.998 102 E CA 1.919 58.322 56.400 0.006 0.000 0.818 102 E CB -0.558 29.146 29.700 0.006 0.000 0.741 102 E HN 0.587 nan 8.360 nan 0.000 0.477 103 G N -0.113 108.691 108.800 0.006 0.000 2.408 103 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.213 103 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.213 103 G C 1.574 176.478 174.900 0.007 0.000 1.177 103 G CA 0.445 45.549 45.100 0.007 0.000 0.802 103 G HN 0.289 nan 8.290 nan 0.000 0.533 104 L N 0.349 121.576 121.223 0.007 0.000 2.131 104 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 104 L C 2.821 179.697 176.870 0.009 0.000 1.092 104 L CA 1.326 56.171 54.840 0.009 0.000 0.759 104 L CB -0.259 41.805 42.059 0.008 0.000 0.903 104 L HN 0.238 nan 8.230 nan 0.000 0.435 105 K N 0.427 120.832 120.400 0.008 0.000 1.991 105 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 105 K C 1.823 178.428 176.600 0.008 0.000 1.049 105 K CA 1.696 57.988 56.287 0.008 0.000 0.932 105 K CB -0.071 32.433 32.500 0.007 0.000 0.717 105 K HN 0.320 nan 8.250 nan 0.000 0.441 106 N N 0.649 119.354 118.700 0.008 0.000 2.348 106 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 106 N C 1.752 177.267 175.510 0.009 0.000 1.019 106 N CA 0.995 54.050 53.050 0.008 0.000 0.880 106 N CB -0.057 38.435 38.487 0.007 0.000 0.965 106 N HN 0.079 nan 8.380 nan 0.000 0.437 107 V N 1.215 121.135 119.914 0.010 0.000 2.407 107 V HA -0.069 4.051 4.120 -0.000 0.000 0.245 107 V C 2.455 178.557 176.094 0.013 0.000 1.041 107 V CA 1.470 63.777 62.300 0.012 0.000 1.040 107 V CB -0.768 31.063 31.823 0.013 0.000 0.671 107 V HN 0.230 nan 8.190 nan 0.000 0.455 108 A N 0.347 123.174 122.820 0.013 0.000 1.933 108 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 108 A C 2.213 179.804 177.584 0.011 0.000 1.175 108 A CA 1.731 53.776 52.037 0.013 0.000 0.628 108 A CB -0.632 18.376 19.000 0.012 0.000 0.814 108 A HN 0.586 nan 8.150 nan 0.000 0.444 109 A N -1.659 121.166 122.820 0.009 0.000 2.255 109 A HA 0.385 4.705 4.320 -0.000 0.000 0.206 109 A C 1.772 179.361 177.584 0.008 0.000 1.193 109 A CA 1.249 53.291 52.037 0.008 0.000 0.794 109 A CB -1.153 17.851 19.000 0.007 0.000 0.794 109 A HN 1.903 nan 8.150 nan 0.000 0.481 110 G N -2.266 106.540 108.800 0.010 0.000 2.175 110 G HA2 0.078 4.038 3.960 -0.000 0.000 0.244 110 G HA3 0.078 4.038 3.960 -0.000 0.000 0.244 110 G C 0.479 175.384 174.900 0.010 0.000 0.982 110 G CA 0.242 45.348 45.100 0.010 0.000 0.641 110 G HN 1.642 nan 8.290 nan 0.000 0.527 111 A N -0.033 122.793 122.820 0.009 0.000 2.483 111 A HA 0.528 4.848 4.320 -0.000 0.000 0.238 111 A C 0.565 178.155 177.584 0.010 0.000 1.070 111 A CA 0.674 52.716 52.037 0.009 0.000 0.770 111 A CB 0.213 19.218 19.000 0.008 0.000 1.008 111 A HN 1.128 nan 8.150 nan 0.000 0.497 112 N N 2.751 121.457 118.700 0.009 0.000 2.405 112 N HA 0.187 4.927 4.740 -0.000 0.000 0.260 112 N C -1.176 174.340 175.510 0.010 0.000 1.152 112 N CA -1.837 51.219 53.050 0.010 0.000 0.948 112 N CB 0.890 39.382 38.487 0.009 0.000 1.111 112 N HN 0.300 nan 8.380 nan 0.000 0.485 113 P HA -0.195 nan 4.420 nan 0.000 0.216 113 P C 1.363 178.667 177.300 0.008 0.000 1.150 113 P CA 1.215 64.320 63.100 0.009 0.000 0.837 113 P CB 0.323 32.029 31.700 0.010 0.000 0.786 114 L N -0.259 120.968 121.223 0.008 0.000 1.989 114 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 114 L C 2.881 179.755 176.870 0.007 0.000 1.071 114 L CA 1.999 56.843 54.840 0.007 0.000 0.749 114 L CB -1.530 40.533 42.059 0.007 0.000 0.890 114 L HN -0.032 nan 8.230 nan 0.000 0.431 115 A N 0.047 122.872 122.820 0.007 0.000 1.933 115 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 115 A C 2.284 179.872 177.584 0.006 0.000 1.175 115 A CA 1.287 53.328 52.037 0.006 0.000 0.628 115 A CB -0.686 18.318 19.000 0.006 0.000 0.814 115 A HN 0.363 nan 8.150 nan 0.000 0.444 116 L N -0.768 120.459 121.223 0.007 0.000 2.079 116 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 116 L C 2.648 179.521 176.870 0.006 0.000 1.081 116 L CA 2.011 56.855 54.840 0.006 0.000 0.752 116 L CB -0.444 41.619 42.059 0.007 0.000 0.896 116 L HN 0.472 nan 8.230 nan 0.000 0.433 117 K N 0.227 120.630 120.400 0.006 0.000 1.985 117 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 117 K C 2.290 178.894 176.600 0.005 0.000 1.047 117 K CA 1.336 57.627 56.287 0.005 0.000 0.932 117 K CB -0.027 32.475 32.500 0.005 0.000 0.716 117 K HN 0.148 nan 8.250 nan 0.000 0.439 118 R N -0.465 120.038 120.500 0.005 0.000 2.113 118 R HA -0.179 4.161 4.340 -0.000 0.000 0.244 118 R C 2.434 178.737 176.300 0.005 0.000 1.142 118 R CA 1.675 57.778 56.100 0.005 0.000 0.953 118 R CB -0.757 29.546 30.300 0.005 0.000 0.860 118 R HN 0.428 nan 8.270 nan 0.000 0.438 119 G N 1.064 109.868 108.800 0.005 0.000 2.418 119 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 119 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 119 G C 1.486 176.390 174.900 0.006 0.000 1.158 119 G CA 0.652 45.755 45.100 0.006 0.000 0.771 119 G HN 0.183 nan 8.290 nan 0.000 0.545 120 I N 0.530 121.104 120.570 0.006 0.000 2.163 120 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 120 I C 2.786 178.906 176.117 0.005 0.000 1.085 120 I CA 1.381 62.684 61.300 0.006 0.000 1.347 120 I CB -0.339 37.664 38.000 0.005 0.000 1.044 120 I HN 0.273 nan 8.210 nan 0.000 0.408 121 E N 1.113 121.316 120.200 0.005 0.000 2.023 121 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 121 E C 2.196 178.799 176.600 0.005 0.000 1.003 121 E CA 1.515 57.918 56.400 0.005 0.000 0.809 121 E CB -0.113 29.590 29.700 0.005 0.000 0.755 121 E HN 0.425 nan 8.360 nan 0.000 0.449 122 K N 0.463 120.866 120.400 0.005 0.000 2.074 122 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 122 K C 2.250 178.854 176.600 0.006 0.000 1.048 122 K CA 1.225 57.515 56.287 0.005 0.000 0.926 122 K CB -0.263 32.241 32.500 0.005 0.000 0.713 122 K HN 0.092 nan 8.250 nan 0.000 0.444 123 A N 1.218 124.042 122.820 0.006 0.000 1.908 123 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 123 A C 2.445 180.033 177.584 0.007 0.000 1.181 123 A CA 1.665 53.706 52.037 0.007 0.000 0.627 123 A CB -0.737 18.267 19.000 0.007 0.000 0.818 123 A HN 0.090 nan 8.150 nan 0.000 0.445 124 V N 0.065 119.983 119.914 0.006 0.000 2.343 124 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 124 V C 2.370 178.468 176.094 0.006 0.000 1.051 124 V CA 2.222 64.525 62.300 0.006 0.000 1.036 124 V CB -0.984 30.842 31.823 0.005 0.000 0.654 124 V HN 0.626 nan 8.190 nan 0.000 0.451 125 E N 0.614 120.818 120.200 0.006 0.000 2.033 125 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 125 E C 2.384 178.988 176.600 0.006 0.000 1.011 125 E CA 1.566 57.970 56.400 0.006 0.000 0.815 125 E CB -0.456 29.247 29.700 0.006 0.000 0.755 125 E HN 0.573 nan 8.360 nan 0.000 0.451 126 A N 1.418 124.242 122.820 0.007 0.000 1.917 126 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 126 A C 2.381 179.970 177.584 0.008 0.000 1.182 126 A CA 2.157 54.198 52.037 0.007 0.000 0.633 126 A CB -0.776 18.228 19.000 0.007 0.000 0.819 126 A HN 0.335 nan 8.150 nan 0.000 0.448 127 A N -0.729 122.096 122.820 0.008 0.000 1.873 127 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 127 A C 2.247 179.835 177.584 0.008 0.000 1.186 127 A CA 1.746 53.788 52.037 0.008 0.000 0.616 127 A CB -0.963 18.042 19.000 0.008 0.000 0.823 127 A HN 0.425 nan 8.150 nan 0.000 0.442 128 V N 0.083 120.001 119.914 0.007 0.000 2.255 128 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 128 V C 2.503 178.601 176.094 0.006 0.000 1.051 128 V CA 2.359 64.662 62.300 0.006 0.000 1.018 128 V CB -0.881 30.945 31.823 0.005 0.000 0.641 128 V HN 0.751 nan 8.190 nan 0.000 0.445 129 E N 0.226 120.430 120.200 0.007 0.000 2.114 129 E HA -0.354 3.996 4.350 -0.000 0.000 0.199 129 E C 2.171 178.775 176.600 0.008 0.000 1.008 129 E CA 1.973 58.377 56.400 0.007 0.000 0.810 129 E CB -0.067 29.637 29.700 0.007 0.000 0.739 129 E HN 0.488 nan 8.360 nan 0.000 0.456 130 K N 0.520 120.925 120.400 0.009 0.000 2.217 130 K HA -0.057 4.263 4.320 -0.000 0.000 0.202 130 K C 1.814 178.420 176.600 0.010 0.000 1.051 130 K CA 0.876 57.169 56.287 0.010 0.000 0.952 130 K CB -0.111 32.396 32.500 0.012 0.000 0.736 130 K HN 0.200 nan 8.250 nan 0.000 0.453 131 I N 0.507 121.082 120.570 0.008 0.000 2.202 131 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 131 I C 2.041 178.162 176.117 0.007 0.000 1.091 131 I CA 1.314 62.618 61.300 0.007 0.000 1.368 131 I CB -0.281 37.722 38.000 0.005 0.000 1.058 131 I HN 0.123 nan 8.210 nan 0.000 0.410 132 K N 1.329 121.733 120.400 0.006 0.000 1.991 132 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 132 K C 2.303 178.907 176.600 0.007 0.000 1.049 132 K CA 1.658 57.949 56.287 0.006 0.000 0.932 132 K CB -0.483 32.020 32.500 0.006 0.000 0.717 132 K HN 0.290 nan 8.250 nan 0.000 0.441 133 A N 1.230 124.055 122.820 0.008 0.000 2.054 133 A HA -0.180 4.140 4.320 -0.000 0.000 0.223 133 A C 1.882 179.472 177.584 0.010 0.000 1.169 133 A CA 1.582 53.624 52.037 0.009 0.000 0.655 133 A CB -0.610 18.396 19.000 0.010 0.000 0.812 133 A HN 0.256 nan 8.150 nan 0.000 0.462 134 L N -1.339 119.890 121.223 0.010 0.000 2.693 134 L HA 0.306 4.646 4.340 -0.000 0.000 0.235 134 L C 1.088 177.964 176.870 0.009 0.000 1.127 134 L CA -0.124 54.722 54.840 0.011 0.000 0.914 134 L CB -0.069 41.998 42.059 0.013 0.000 1.193 134 L HN 0.332 nan 8.230 nan 0.000 0.502 135 A N 1.083 123.907 122.820 0.007 0.000 2.425 135 A HA 0.491 4.811 4.320 -0.000 0.000 0.249 135 A C -0.218 177.369 177.584 0.005 0.000 1.084 135 A CA 0.184 52.224 52.037 0.005 0.000 0.781 135 A CB 0.188 19.190 19.000 0.004 0.000 1.019 135 A HN 0.200 nan 8.150 nan 0.000 0.490 136 I N 3.316 123.889 120.570 0.004 0.000 2.436 136 I HA 0.289 4.459 4.170 -0.000 0.000 0.289 136 I C -2.366 173.752 176.117 0.003 0.000 1.010 136 I CA -2.246 59.057 61.300 0.004 0.000 1.098 136 I CB 2.573 40.575 38.000 0.004 0.000 1.266 136 I HN 0.429 nan 8.210 nan 0.000 0.434 137 P HA 0.070 nan 4.420 nan 0.000 0.271 137 P C -0.721 176.581 177.300 0.002 0.000 1.216 137 P CA -0.222 62.880 63.100 0.003 0.000 0.776 137 P CB 0.579 32.281 31.700 0.003 0.000 0.881 138 V N 3.491 123.406 119.914 0.002 0.000 2.555 138 V HA 0.106 4.226 4.120 -0.000 0.000 0.286 138 V C 1.019 177.115 176.094 0.004 0.000 1.044 138 V CA 0.602 62.903 62.300 0.002 0.000 1.026 138 V CB 0.201 32.025 31.823 0.002 0.000 0.981 138 V HN 0.631 nan 8.190 nan 0.000 0.480 139 E N 2.464 122.666 120.200 0.004 0.000 2.862 139 E HA 0.193 4.543 4.350 -0.000 0.000 0.204 139 E C -0.699 175.904 176.600 0.005 0.000 0.966 139 E CA -0.124 56.278 56.400 0.005 0.000 1.257 139 E CB 0.768 30.471 29.700 0.004 0.000 1.053 139 E HN 1.013 nan 8.360 nan 0.000 0.487 140 D N -1.088 119.316 120.400 0.006 0.000 2.755 140 D HA 0.030 4.670 4.640 -0.000 0.000 0.277 140 D C 0.417 176.722 176.300 0.009 0.000 1.261 140 D CA -0.706 53.298 54.000 0.007 0.000 0.759 140 D CB 0.895 41.698 40.800 0.005 0.000 1.279 140 D HN -0.222 nan 8.370 nan 0.000 0.420 141 R N 0.614 121.120 120.500 0.011 0.000 2.117 141 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 141 R C 1.798 178.104 176.300 0.011 0.000 1.143 141 R CA 1.776 57.885 56.100 0.014 0.000 0.968 141 R CB -0.285 30.025 30.300 0.017 0.000 0.863 141 R HN 0.577 nan 8.270 nan 0.000 0.444 142 K N -0.339 120.064 120.400 0.007 0.000 1.973 142 K HA -0.076 4.244 4.320 -0.000 0.000 0.210 142 K C 1.993 178.593 176.600 -0.000 0.000 1.045 142 K CA 1.314 57.602 56.287 0.003 0.000 0.937 142 K CB -0.259 32.242 32.500 0.001 0.000 0.721 142 K HN 0.140 nan 8.250 nan 0.000 0.438 143 A N 1.630 124.450 122.820 0.000 0.000 1.971 143 A HA -0.227 4.093 4.320 -0.000 0.000 0.222 143 A C 2.096 179.678 177.584 -0.003 0.000 1.182 143 A CA 1.887 53.922 52.037 -0.002 0.000 0.649 143 A CB -0.697 18.303 19.000 -0.000 0.000 0.818 143 A HN 0.434 nan 8.150 nan 0.000 0.458 144 I N -1.519 119.051 120.570 0.001 0.000 2.400 144 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 144 I C 2.516 178.632 176.117 -0.001 0.000 1.109 144 I CA 1.396 62.697 61.300 0.001 0.000 1.425 144 I CB -0.424 37.581 38.000 0.008 0.000 1.094 144 I HN 0.556 nan 8.210 nan 0.000 0.425 145 E N 1.372 121.572 120.200 0.001 0.000 2.160 145 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 145 E C 1.828 178.420 176.600 -0.015 0.000 0.991 145 E CA 1.442 57.841 56.400 -0.002 0.000 0.810 145 E CB 0.152 29.853 29.700 0.002 0.000 0.742 145 E HN 0.503 nan 8.360 nan 0.000 0.466 146 E N -0.057 120.133 120.200 -0.016 0.000 2.001 146 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 146 E C 2.251 178.833 176.600 -0.030 0.000 0.994 146 E CA 1.347 57.732 56.400 -0.025 0.000 0.815 146 E CB -0.196 29.490 29.700 -0.022 0.000 0.770 146 E HN 0.089 nan 8.360 nan 0.000 0.453 147 V N 1.724 121.623 119.914 -0.024 0.000 2.277 147 V HA -0.382 3.738 4.120 -0.000 0.000 0.255 147 V C 2.329 178.403 176.094 -0.034 0.000 1.074 147 V CA 2.250 64.534 62.300 -0.026 0.000 1.058 147 V CB -0.863 30.949 31.823 -0.018 0.000 0.656 147 V HN 0.415 nan 8.190 nan 0.000 0.449 148 A N -0.957 121.845 122.820 -0.031 0.000 1.873 148 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 148 A C 2.371 179.916 177.584 -0.065 0.000 1.186 148 A CA 2.300 54.312 52.037 -0.041 0.000 0.616 148 A CB -0.969 18.017 19.000 -0.023 0.000 0.823 148 A HN 0.516 nan 8.150 nan 0.000 0.442 149 T N 0.461 114.980 114.554 -0.058 0.000 2.720 149 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 149 T C 1.786 176.440 174.700 -0.077 0.000 1.037 149 T CA 1.575 63.632 62.100 -0.072 0.000 1.144 149 T CB -0.417 68.417 68.868 -0.056 0.000 0.864 149 T HN 0.400 nan 8.240 nan 0.000 0.444 150 I N 0.606 121.137 120.570 -0.065 0.000 2.060 150 I HA -0.200 3.970 4.170 -0.000 0.000 0.233 150 I C 2.781 178.858 176.117 -0.066 0.000 1.054 150 I CA 1.175 62.436 61.300 -0.065 0.000 1.318 150 I CB -0.553 37.412 38.000 -0.058 0.000 1.054 150 I HN 0.203 nan 8.210 nan 0.000 0.395 151 S N 0.194 115.858 115.700 -0.060 0.000 2.409 151 S HA -0.297 4.173 4.470 -0.000 0.000 0.237 151 S C 1.820 176.375 174.600 -0.075 0.000 1.060 151 S CA 1.947 60.111 58.200 -0.059 0.000 1.052 151 S CB -0.247 62.921 63.200 -0.054 0.000 0.871 151 S HN 0.540 nan 8.310 nan 0.000 0.465 152 A N 0.026 122.784 122.820 -0.104 0.000 2.220 152 A HA 0.354 4.674 4.320 -0.000 0.000 0.211 152 A C 0.859 178.370 177.584 -0.122 0.000 1.176 152 A CA 0.737 52.689 52.037 -0.142 0.000 0.834 152 A CB -0.388 18.470 19.000 -0.237 0.000 0.868 152 A HN 0.654 nan 8.150 nan 0.000 0.488 153 N N 0.150 118.792 118.700 -0.097 0.000 2.738 153 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 153 N C -1.145 174.309 175.510 -0.093 0.000 1.047 153 N CA 1.152 54.153 53.050 -0.083 0.000 0.707 153 N CB -0.837 37.611 38.487 -0.065 0.000 0.937 153 N HN 0.557 nan 8.380 nan 0.000 0.545 154 D N -2.265 118.069 120.400 -0.110 0.000 2.878 154 D HA 0.246 4.886 4.640 -0.000 0.000 0.211 154 D C -2.340 173.898 176.300 -0.102 0.000 1.271 154 D CA -1.232 52.701 54.000 -0.112 0.000 0.845 154 D CB 1.581 42.285 40.800 -0.159 0.000 1.679 154 D HN -0.111 nan 8.370 nan 0.000 0.536 155 P HA -0.016 nan 4.420 nan 0.000 0.215 155 P C 0.970 178.244 177.300 -0.044 0.000 1.157 155 P CA 1.037 64.106 63.100 -0.051 0.000 0.859 155 P CB 0.559 32.237 31.700 -0.036 0.000 0.786 156 E N -0.351 119.825 120.200 -0.040 0.000 2.049 156 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 156 E C 2.018 178.613 176.600 -0.009 0.000 1.007 156 E CA 1.319 57.714 56.400 -0.010 0.000 0.809 156 E CB -0.948 28.754 29.700 0.004 0.000 0.749 156 E HN 0.008 nan 8.360 nan 0.000 0.450 157 V N 0.992 120.829 119.914 -0.129 0.000 2.332 157 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 157 V C 2.373 178.421 176.094 -0.075 0.000 1.055 157 V CA 2.060 64.205 62.300 -0.259 0.000 1.038 157 V CB -0.971 30.430 31.823 -0.703 0.000 0.651 157 V HN 0.456 nan 8.190 nan 0.000 0.450 158 G N -0.898 107.854 108.800 -0.081 0.000 2.470 158 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 158 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 158 G C 1.603 176.507 174.900 0.006 0.000 1.121 158 G CA 0.939 46.018 45.100 -0.035 0.000 0.766 158 G HN 0.494 nan 8.290 nan 0.000 0.553 159 K N 0.187 120.598 120.400 0.019 0.000 1.975 159 K HA 0.093 4.413 4.320 -0.000 0.000 0.210 159 K C 2.505 179.143 176.600 0.064 0.000 1.041 159 K CA 0.545 56.854 56.287 0.037 0.000 0.942 159 K CB -0.404 32.117 32.500 0.036 0.000 0.729 159 K HN 0.259 nan 8.250 nan 0.000 0.439 160 L N 1.550 122.831 121.223 0.098 0.000 2.064 160 L HA -0.264 4.076 4.340 -0.000 0.000 0.216 160 L C 2.537 179.458 176.870 0.085 0.000 1.077 160 L CA 1.070 55.973 54.840 0.104 0.000 0.766 160 L CB -0.679 41.478 42.059 0.163 0.000 0.890 160 L HN 0.342 nan 8.230 nan 0.000 0.435 161 I N 0.074 120.712 120.570 0.113 0.000 2.361 161 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 161 I C 2.801 178.947 176.117 0.048 0.000 1.133 161 I CA 1.571 62.918 61.300 0.077 0.000 1.413 161 I CB -1.399 36.650 38.000 0.082 0.000 1.073 161 I HN 0.206 nan 8.210 nan 0.000 0.424 162 A N 0.656 123.505 122.820 0.048 0.000 1.872 162 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 162 A C 2.021 179.641 177.584 0.061 0.000 1.187 162 A CA 1.492 53.554 52.037 0.042 0.000 0.614 162 A CB -0.536 18.483 19.000 0.032 0.000 0.826 162 A HN 0.293 nan 8.150 nan 0.000 0.442 163 D N 0.422 120.867 120.400 0.074 0.000 2.103 163 D HA -0.164 4.476 4.640 -0.000 0.000 0.190 163 D C 2.294 178.700 176.300 0.177 0.000 0.997 163 D CA 1.931 56.001 54.000 0.116 0.000 0.833 163 D CB -0.665 40.210 40.800 0.124 0.000 0.961 163 D HN 0.389 nan 8.370 nan 0.000 0.447 164 A N 0.860 123.749 122.820 0.114 0.000 1.851 164 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 164 A C 2.218 179.867 177.584 0.107 0.000 1.195 164 A CA 2.549 54.617 52.037 0.052 0.000 0.622 164 A CB -0.794 18.108 19.000 -0.164 0.000 0.831 164 A HN 0.221 nan 8.150 nan 0.000 0.444 165 M N 0.161 119.794 119.600 0.056 0.000 2.108 165 M HA -0.227 4.253 4.480 -0.000 0.000 0.257 165 M C 1.894 178.236 176.300 0.071 0.000 1.071 165 M CA 2.533 57.863 55.300 0.050 0.000 1.093 165 M CB -0.568 32.052 32.600 0.033 0.000 1.345 165 M HN 0.647 nan 8.290 nan 0.000 0.403 166 E N -0.006 120.244 120.200 0.082 0.000 2.031 166 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 166 E C 0.786 177.433 176.600 0.079 0.000 0.994 166 E CA 1.336 57.778 56.400 0.069 0.000 0.800 166 E CB -0.116 29.620 29.700 0.060 0.000 0.752 166 E HN 0.530 nan 8.360 nan 0.000 0.447 167 K N 0.037 120.518 120.400 0.136 0.000 2.790 167 K HA 0.101 4.421 4.320 -0.000 0.000 0.229 167 K C -0.119 176.595 176.600 0.191 0.000 1.040 167 K CA -0.148 56.200 56.287 0.101 0.000 1.211 167 K CB 0.858 33.336 32.500 -0.037 0.000 1.002 167 K HN 0.016 nan 8.250 nan 0.000 0.479 168 V N -0.943 119.060 119.914 0.149 0.000 3.777 168 V HA 0.122 4.242 4.120 -0.000 0.000 0.285 168 V C 0.379 176.511 176.094 0.064 0.000 1.668 168 V CA -0.093 62.282 62.300 0.125 0.000 1.178 168 V CB 0.500 32.407 31.823 0.140 0.000 0.962 168 V HN 0.566 nan 8.190 nan 0.000 0.411 169 G N 2.505 111.336 108.800 0.052 0.000 2.954 169 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.672 169 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.672 169 G C 0.611 175.526 174.900 0.026 0.000 1.598 169 G CA 0.430 45.549 45.100 0.032 0.000 1.063 169 G HN 0.714 nan 8.290 nan 0.000 0.584 170 K N -0.294 120.117 120.400 0.019 0.000 2.360 170 K HA -0.043 4.277 4.320 -0.000 0.000 0.201 170 K C 1.495 178.101 176.600 0.010 0.000 1.046 170 K CA 2.037 58.332 56.287 0.013 0.000 0.945 170 K CB 0.115 32.621 32.500 0.010 0.000 0.750 170 K HN 0.639 nan 8.250 nan 0.000 0.464 171 E N 1.151 121.358 120.200 0.010 0.000 2.479 171 E HA 0.073 4.423 4.350 -0.000 0.000 0.193 171 E C 0.910 177.514 176.600 0.006 0.000 1.049 171 E CA -0.194 56.210 56.400 0.007 0.000 0.870 171 E CB 0.573 30.278 29.700 0.008 0.000 0.944 171 E HN 0.488 nan 8.360 nan 0.000 0.492 172 G N 1.111 109.917 108.800 0.010 0.000 2.468 172 G HA2 0.377 4.337 3.960 -0.000 0.000 0.264 172 G HA3 0.377 4.337 3.960 -0.000 0.000 0.264 172 G C -0.147 174.750 174.900 -0.006 0.000 1.460 172 G CA -0.363 44.742 45.100 0.009 0.000 1.060 172 G HN 0.079 nan 8.290 nan 0.000 0.543 173 I N -0.135 120.426 120.570 -0.015 0.000 2.610 173 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 173 I C -0.909 175.174 176.117 -0.057 0.000 1.163 173 I CA -0.407 60.872 61.300 -0.034 0.000 1.044 173 I CB 2.187 40.162 38.000 -0.042 0.000 1.251 173 I HN 0.214 nan 8.210 nan 0.000 0.424 174 I N 4.859 125.392 120.570 -0.062 0.000 2.603 174 I HA 0.534 4.704 4.170 -0.000 0.000 0.300 174 I C -0.362 175.701 176.117 -0.091 0.000 1.017 174 I CA -0.494 60.749 61.300 -0.094 0.000 1.098 174 I CB 2.295 40.246 38.000 -0.082 0.000 1.279 174 I HN 0.389 nan 8.210 nan 0.000 0.437 175 T N 4.097 118.578 114.554 -0.122 0.000 2.893 175 T HA 0.471 4.821 4.350 -0.000 0.000 0.293 175 T C -0.645 173.969 174.700 -0.143 0.000 1.027 175 T CA -0.443 61.592 62.100 -0.109 0.000 0.988 175 T CB 2.347 71.155 68.868 -0.099 0.000 1.043 175 T HN 0.207 nan 8.240 nan 0.000 0.461 176 V N 3.289 123.131 119.914 -0.120 0.000 2.398 176 V HA 0.548 4.668 4.120 -0.000 0.000 0.286 176 V C 0.029 176.050 176.094 -0.121 0.000 1.026 176 V CA -0.583 61.623 62.300 -0.156 0.000 0.868 176 V CB 1.384 33.140 31.823 -0.112 0.000 0.982 176 V HN 0.845 nan 8.190 nan 0.000 0.443 177 E N 2.113 122.225 120.200 -0.147 0.000 2.392 177 E HA 0.414 4.764 4.350 -0.000 0.000 0.269 177 E C -0.987 175.554 176.600 -0.098 0.000 0.924 177 E CA -0.882 55.457 56.400 -0.103 0.000 0.784 177 E CB 2.601 32.242 29.700 -0.098 0.000 1.292 177 E HN 0.723 nan 8.360 nan 0.000 0.447 178 E N 1.521 121.683 120.200 -0.063 0.000 1.893 178 E HA 0.112 4.462 4.350 -0.000 0.000 0.269 178 E C -0.252 176.320 176.600 -0.047 0.000 1.129 178 E CA -0.188 56.184 56.400 -0.046 0.000 0.904 178 E CB 0.584 30.269 29.700 -0.026 0.000 1.077 178 E HN 0.406 nan 8.360 nan 0.000 0.407 179 S N 3.576 119.242 115.700 -0.057 0.000 2.658 179 S HA 0.009 4.479 4.470 -0.000 0.000 0.249 179 S C 0.952 175.534 174.600 -0.029 0.000 1.363 179 S CA 0.173 58.344 58.200 -0.048 0.000 0.964 179 S CB 0.587 63.756 63.200 -0.051 0.000 0.973 179 S HN 0.506 nan 8.310 nan 0.000 0.588 180 K N 0.004 120.390 120.400 -0.023 0.000 2.474 180 K HA 0.202 4.522 4.320 -0.000 0.000 0.202 180 K C 0.934 177.528 176.600 -0.009 0.000 1.248 180 K CA 0.417 56.696 56.287 -0.014 0.000 0.946 180 K CB -0.197 32.295 32.500 -0.014 0.000 1.102 180 K HN 0.714 nan 8.250 nan 0.000 0.541 181 S N 0.333 116.028 115.700 -0.009 0.000 2.655 181 S HA 0.277 4.747 4.470 -0.000 0.000 0.265 181 S C 1.426 176.026 174.600 0.000 0.000 1.240 181 S CA -0.561 57.636 58.200 -0.004 0.000 0.986 181 S CB 0.637 63.835 63.200 -0.004 0.000 0.985 181 S HN 0.067 nan 8.310 nan 0.000 0.562 182 L N -0.341 120.885 121.223 0.005 0.000 2.376 182 L HA 0.184 4.524 4.340 -0.000 0.000 0.219 182 L C 1.362 178.241 176.870 0.015 0.000 1.133 182 L CA 0.833 55.680 54.840 0.011 0.000 0.816 182 L CB -0.456 41.609 42.059 0.011 0.000 0.933 182 L HN 0.763 nan 8.230 nan 0.000 0.449 183 E N -0.256 119.950 120.200 0.011 0.000 2.248 183 E HA 0.217 4.567 4.350 -0.000 0.000 0.272 183 E C -0.654 175.949 176.600 0.006 0.000 1.008 183 E CA -0.511 55.898 56.400 0.015 0.000 0.856 183 E CB 1.410 31.118 29.700 0.013 0.000 1.120 183 E HN -0.111 nan 8.360 nan 0.000 0.397 184 T N 3.113 117.677 114.554 0.017 0.000 2.889 184 T HA 0.284 4.634 4.350 -0.000 0.000 0.291 184 T C -0.706 173.976 174.700 -0.030 0.000 0.995 184 T CA -0.442 61.650 62.100 -0.014 0.000 1.092 184 T CB 0.859 69.748 68.868 0.035 0.000 0.954 184 T HN 0.402 nan 8.240 nan 0.000 0.506 185 E N 1.334 121.490 120.200 -0.074 0.000 2.272 185 E HA 0.487 4.837 4.350 -0.000 0.000 0.269 185 E C -1.351 175.181 176.600 -0.114 0.000 0.877 185 E CA -0.981 55.380 56.400 -0.065 0.000 0.755 185 E CB 2.152 31.823 29.700 -0.047 0.000 1.192 185 E HN 0.252 nan 8.360 nan 0.000 0.422 186 L N 2.506 123.674 121.223 -0.091 0.000 2.282 186 L HA 0.486 4.826 4.340 -0.000 0.000 0.288 186 L C -1.289 175.502 176.870 -0.131 0.000 1.033 186 L CA -0.104 54.639 54.840 -0.163 0.000 0.807 186 L CB 0.492 42.472 42.059 -0.131 0.000 1.209 186 L HN 0.433 nan 8.230 nan 0.000 0.423 187 K N 4.823 125.086 120.400 -0.229 0.000 2.464 187 K HA 0.560 4.880 4.320 -0.000 0.000 0.253 187 K C -1.539 174.935 176.600 -0.209 0.000 0.933 187 K CA -0.479 55.755 56.287 -0.088 0.000 0.801 187 K CB 2.035 34.511 32.500 -0.040 0.000 1.271 187 K HN 0.299 nan 8.250 nan 0.000 0.430 188 F N 0.513 120.437 119.950 -0.043 0.000 2.470 188 F HA 0.436 4.963 4.527 -0.000 0.000 0.329 188 F C 0.209 175.979 175.800 -0.049 0.000 1.072 188 F CA -1.074 56.899 58.000 -0.044 0.000 0.989 188 F CB 1.318 40.297 39.000 -0.036 0.000 1.193 188 F HN 0.014 nan 8.300 nan 0.000 0.481 189 V N 1.536 121.525 119.914 0.124 0.000 2.398 189 V HA 0.261 4.381 4.120 -0.000 0.000 0.286 189 V C -0.308 175.809 176.094 0.038 0.000 1.026 189 V CA -0.764 61.559 62.300 0.037 0.000 0.868 189 V CB 1.411 33.217 31.823 -0.029 0.000 0.982 189 V HN 0.686 nan 8.190 nan 0.000 0.443 190 E N 3.757 123.968 120.200 0.018 0.000 2.316 190 E HA 0.517 4.867 4.350 -0.000 0.000 0.275 190 E C 0.810 177.412 176.600 0.002 0.000 1.029 190 E CA 1.136 57.541 56.400 0.008 0.000 0.871 190 E CB 1.005 30.705 29.700 0.000 0.000 1.022 190 E HN 0.988 nan 8.360 nan 0.000 0.418 191 G N 2.844 111.653 108.800 0.015 0.000 2.581 191 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.291 191 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.291 191 G C -0.726 174.208 174.900 0.057 0.000 1.277 191 G CA 0.384 45.511 45.100 0.044 0.000 0.959 191 G HN 0.616 nan 8.290 nan 0.000 0.554 192 Y N 1.870 122.161 120.300 -0.015 0.000 2.320 192 Y HA 0.567 5.117 4.550 -0.000 0.000 0.324 192 Y C 0.484 176.344 175.900 -0.066 0.000 1.190 192 Y CA 0.520 58.617 58.100 -0.004 0.000 1.215 192 Y CB 1.563 40.044 38.460 0.035 0.000 1.221 192 Y HN 1.088 nan 8.280 nan 0.000 0.486 193 Q N 3.703 123.386 119.800 -0.195 0.000 2.594 193 Q HA 0.491 4.831 4.340 -0.000 0.000 0.278 193 Q C -2.255 173.626 176.000 -0.200 0.000 0.961 193 Q CA -0.867 54.786 55.803 -0.250 0.000 0.844 193 Q CB 1.206 29.810 28.738 -0.223 0.000 1.475 193 Q HN 0.507 nan 8.270 nan 0.000 0.389 194 F N -1.173 118.793 119.950 0.027 0.000 2.650 194 F HA 0.647 5.174 4.527 -0.000 0.000 0.320 194 F C -0.594 175.214 175.800 0.013 0.000 1.091 194 F CA -1.285 56.728 58.000 0.022 0.000 0.962 194 F CB 1.291 40.353 39.000 0.104 0.000 1.363 194 F HN 0.471 nan 8.300 nan 0.000 0.482 195 D N 2.079 122.636 120.400 0.262 0.000 2.994 195 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 195 D C -0.505 175.916 176.300 0.200 0.000 1.195 195 D CA 0.276 54.364 54.000 0.146 0.000 0.957 195 D CB 0.146 40.995 40.800 0.082 0.000 1.105 195 D HN 0.255 nan 8.370 nan 0.000 0.477 196 K N 0.432 121.019 120.400 0.311 0.000 2.471 196 K HA 0.508 4.828 4.320 -0.000 0.000 0.252 196 K C 0.261 176.959 176.600 0.163 0.000 0.938 196 K CA -0.670 55.785 56.287 0.280 0.000 0.796 196 K CB 2.889 35.636 32.500 0.412 0.000 1.161 196 K HN 0.147 nan 8.250 nan 0.000 0.425 197 G N 0.915 109.735 108.800 0.033 0.000 2.753 197 G HA2 0.416 4.376 3.960 -0.000 0.000 0.285 197 G HA3 0.416 4.376 3.960 -0.000 0.000 0.285 197 G C -0.821 174.075 174.900 -0.006 0.000 1.344 197 G CA -0.604 44.419 45.100 -0.129 0.000 1.050 197 G HN 0.456 nan 8.290 nan 0.000 0.532 198 Y N -0.549 119.847 120.300 0.161 0.000 2.632 198 Y HA 0.256 4.806 4.550 -0.000 0.000 0.329 198 Y C 1.351 177.361 175.900 0.183 0.000 1.174 198 Y CA -1.269 56.980 58.100 0.249 0.000 1.469 198 Y CB -0.090 38.545 38.460 0.293 0.000 1.242 198 Y HN 0.252 nan 8.280 nan 0.000 0.540 199 I N 1.570 122.390 120.570 0.417 0.000 3.010 199 I HA -0.145 4.025 4.170 -0.000 0.000 0.271 199 I C 0.798 176.965 176.117 0.083 0.000 1.293 199 I CA 1.273 62.715 61.300 0.236 0.000 1.452 199 I CB -0.186 37.957 38.000 0.238 0.000 1.082 199 I HN 0.656 nan 8.210 nan 0.000 0.484 200 S N 0.042 115.694 115.700 -0.080 0.000 2.649 200 S HA 0.306 4.776 4.470 -0.000 0.000 0.274 200 S C -1.956 172.392 174.600 -0.420 0.000 1.176 200 S CA -1.141 56.864 58.200 -0.326 0.000 0.988 200 S CB 1.602 64.424 63.200 -0.630 0.000 1.071 200 S HN -0.155 nan 8.310 nan 0.000 0.478 201 P HA -0.127 nan 4.420 nan 0.000 0.222 201 P C 0.693 177.659 177.300 -0.557 0.000 1.142 201 P CA 1.094 63.868 63.100 -0.545 0.000 0.788 201 P CB -0.158 31.313 31.700 -0.382 0.000 0.767 202 Y N -1.225 118.850 120.300 -0.375 0.000 2.352 202 Y HA -0.026 4.524 4.550 -0.000 0.000 0.292 202 Y C 2.454 178.302 175.900 -0.086 0.000 1.136 202 Y CA 0.797 58.761 58.100 -0.225 0.000 1.227 202 Y CB -1.165 37.174 38.460 -0.203 0.000 0.991 202 Y HN -0.113 nan 8.280 nan 0.000 0.545 203 F N -0.691 119.234 119.950 -0.042 0.000 2.333 203 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 203 F C 0.951 176.678 175.800 -0.122 0.000 1.083 203 F CA -0.383 57.584 58.000 -0.055 0.000 1.395 203 F CB -0.347 38.645 39.000 -0.014 0.000 1.056 203 F HN -0.285 nan 8.300 nan 0.000 0.529 204 V N 1.326 121.173 119.914 -0.112 0.000 2.681 204 V HA -0.201 3.919 4.120 -0.000 0.000 0.306 204 V C 1.066 177.157 176.094 -0.004 0.000 1.077 204 V CA 1.024 63.250 62.300 -0.124 0.000 1.224 204 V CB 0.769 32.459 31.823 -0.222 0.000 0.879 204 V HN 0.270 nan 8.190 nan 0.000 0.494 205 T N 2.906 117.475 114.554 0.025 0.000 3.021 205 T HA 0.028 4.378 4.350 -0.000 0.000 0.245 205 T C 0.884 175.597 174.700 0.022 0.000 1.028 205 T CA 0.381 62.500 62.100 0.032 0.000 1.139 205 T CB -0.038 68.854 68.868 0.040 0.000 0.884 205 T HN 0.596 nan 8.240 nan 0.000 0.457 206 N N 1.955 120.670 118.700 0.025 0.000 2.424 206 N HA 0.233 4.973 4.740 -0.000 0.000 0.271 206 N C -2.184 173.332 175.510 0.011 0.000 0.985 206 N CA -2.089 50.973 53.050 0.020 0.000 0.921 206 N CB 2.344 40.848 38.487 0.028 0.000 1.149 206 N HN 0.024 nan 8.380 nan 0.000 0.492 207 P HA 0.059 nan 4.420 nan 0.000 0.241 207 P C 0.136 177.437 177.300 0.002 0.000 1.191 207 P CA 0.830 63.927 63.100 -0.005 0.000 0.771 207 P CB 0.716 32.412 31.700 -0.006 0.000 0.929 208 E N -0.240 119.965 120.200 0.009 0.000 2.251 208 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 208 E C 1.441 178.051 176.600 0.017 0.000 0.964 208 E CA 1.319 57.725 56.400 0.010 0.000 0.868 208 E CB -0.006 29.700 29.700 0.009 0.000 0.828 208 E HN 0.301 nan 8.360 nan 0.000 0.481 209 T N -1.995 112.575 114.554 0.026 0.000 3.044 209 T HA 0.148 4.498 4.350 -0.000 0.000 0.260 209 T C 0.880 175.617 174.700 0.061 0.000 1.019 209 T CA -0.367 61.754 62.100 0.036 0.000 0.921 209 T CB 0.305 69.193 68.868 0.033 0.000 1.053 209 T HN -0.110 nan 8.240 nan 0.000 0.533 210 M N 1.139 120.779 119.600 0.067 0.000 2.503 210 M HA -0.152 4.327 4.480 -0.000 0.000 0.199 210 M C -0.260 176.183 176.300 0.237 0.000 0.466 210 M CA 0.742 56.114 55.300 0.119 0.000 0.510 210 M CB -2.534 30.147 32.600 0.136 0.000 1.858 210 M HN 0.613 nan 8.290 nan 0.000 0.799 211 E N -0.428 119.873 120.200 0.169 0.000 2.284 211 E HA 0.789 5.139 4.350 -0.000 0.000 0.255 211 E C 0.113 176.831 176.600 0.196 0.000 1.052 211 E CA -0.407 56.119 56.400 0.210 0.000 0.904 211 E CB 1.377 31.141 29.700 0.108 0.000 1.217 211 E HN 0.363 nan 8.360 nan 0.000 0.438 212 A N 1.116 124.059 122.820 0.204 0.000 2.522 212 A HA 0.424 4.744 4.320 -0.000 0.000 0.285 212 A C -1.131 176.512 177.584 0.097 0.000 1.198 212 A CA -0.545 51.589 52.037 0.161 0.000 0.742 212 A CB 0.496 19.655 19.000 0.265 0.000 1.176 212 A HN 0.228 nan 8.150 nan 0.000 0.444 213 V N 3.807 123.757 119.914 0.061 0.000 2.347 213 V HA 0.419 4.539 4.120 -0.000 0.000 0.280 213 V C -0.298 175.810 176.094 0.023 0.000 1.021 213 V CA -0.172 62.149 62.300 0.035 0.000 0.847 213 V CB 0.967 32.806 31.823 0.027 0.000 0.990 213 V HN 0.714 nan 8.190 nan 0.000 0.444 214 L N 4.787 126.018 121.223 0.013 0.000 2.353 214 L HA 0.519 4.859 4.340 -0.000 0.000 0.270 214 L C 0.062 176.927 176.870 -0.008 0.000 1.003 214 L CA -0.544 54.299 54.840 0.004 0.000 0.862 214 L CB 1.449 43.508 42.059 0.000 0.000 1.221 214 L HN 0.520 nan 8.230 nan 0.000 0.430 215 E N 2.442 122.637 120.200 -0.008 0.000 2.344 215 E HA 0.017 4.367 4.350 -0.000 0.000 0.270 215 E C -0.343 176.235 176.600 -0.038 0.000 1.021 215 E CA -0.105 56.283 56.400 -0.020 0.000 0.887 215 E CB 0.821 30.514 29.700 -0.012 0.000 0.997 215 E HN 0.407 nan 8.360 nan 0.000 0.429 216 D N 1.005 121.367 120.400 -0.064 0.000 3.038 216 D HA -0.194 4.446 4.640 -0.000 0.000 0.229 216 D C -0.966 175.239 176.300 -0.159 0.000 1.182 216 D CA 0.941 54.871 54.000 -0.116 0.000 0.852 216 D CB -0.526 40.217 40.800 -0.096 0.000 0.932 216 D HN 0.537 nan 8.370 nan 0.000 0.406 217 A N 0.937 123.660 122.820 -0.161 0.000 2.312 217 A HA 0.809 5.129 4.320 -0.000 0.000 0.310 217 A C -0.321 177.096 177.584 -0.279 0.000 1.139 217 A CA -0.607 51.351 52.037 -0.132 0.000 0.886 217 A CB 0.840 19.828 19.000 -0.020 0.000 1.350 217 A HN 0.144 nan 8.150 nan 0.000 0.479 218 F N -0.499 119.440 119.950 -0.018 0.000 2.443 218 F HA 0.582 5.109 4.527 -0.000 0.000 0.335 218 F C -0.124 175.664 175.800 -0.021 0.000 1.104 218 F CA -0.141 57.848 58.000 -0.018 0.000 1.013 218 F CB 1.733 40.722 39.000 -0.018 0.000 1.136 218 F HN 0.199 nan 8.300 nan 0.000 0.470 219 I N 4.198 124.848 120.570 0.133 0.000 2.355 219 I HA 0.225 4.395 4.170 -0.000 0.000 0.288 219 I C -0.935 175.218 176.117 0.060 0.000 0.999 219 I CA -0.546 60.797 61.300 0.071 0.000 1.163 219 I CB 1.415 39.432 38.000 0.029 0.000 1.316 219 I HN 0.328 nan 8.210 nan 0.000 0.454 220 L N 8.804 130.053 121.223 0.043 0.000 2.302 220 L HA 0.435 4.775 4.340 -0.000 0.000 0.285 220 L C -0.220 176.646 176.870 -0.006 0.000 1.090 220 L CA 0.229 55.079 54.840 0.017 0.000 0.866 220 L CB -0.087 41.978 42.059 0.010 0.000 1.244 220 L HN 0.424 nan 8.230 nan 0.000 0.435 221 I N 6.342 126.894 120.570 -0.029 0.000 2.227 221 I HA 0.150 4.320 4.170 -0.000 0.000 0.297 221 I C -0.439 175.633 176.117 -0.074 0.000 1.173 221 I CA -0.393 60.872 61.300 -0.057 0.000 1.356 221 I CB 0.175 38.127 38.000 -0.081 0.000 1.485 221 I HN 0.227 nan 8.210 nan 0.000 0.604 222 V N 5.663 125.544 119.914 -0.056 0.000 2.364 222 V HA 0.099 4.219 4.120 -0.000 0.000 0.272 222 V C 1.221 177.277 176.094 -0.063 0.000 1.036 222 V CA -0.347 61.922 62.300 -0.053 0.000 0.880 222 V CB 1.510 33.316 31.823 -0.028 0.000 0.991 222 V HN 0.717 nan 8.190 nan 0.000 0.460 223 E N 5.070 125.228 120.200 -0.070 0.000 2.015 223 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 223 E C 1.145 177.708 176.600 -0.061 0.000 0.991 223 E CA 0.960 57.317 56.400 -0.072 0.000 0.802 223 E CB 0.163 29.823 29.700 -0.067 0.000 0.759 223 E HN 0.802 nan 8.360 nan 0.000 0.447 224 K N 0.905 121.280 120.400 -0.041 0.000 2.181 224 K HA 0.081 4.401 4.320 -0.000 0.000 0.239 224 K C 0.385 176.964 176.600 -0.034 0.000 1.073 224 K CA -0.296 55.971 56.287 -0.034 0.000 0.839 224 K CB 0.352 32.842 32.500 -0.016 0.000 1.116 224 K HN -0.143 nan 8.250 nan 0.000 0.518 225 K N -0.476 119.907 120.400 -0.028 0.000 2.386 225 K HA 0.307 4.627 4.320 -0.000 0.000 0.249 225 K C -0.765 175.831 176.600 -0.006 0.000 1.055 225 K CA -0.653 55.622 56.287 -0.021 0.000 0.930 225 K CB 0.813 33.302 32.500 -0.018 0.000 1.230 225 K HN 0.304 nan 8.250 nan 0.000 0.507 226 V N 1.428 121.345 119.914 0.004 0.000 2.610 226 V HA 0.053 4.173 4.120 -0.000 0.000 0.288 226 V C -0.153 175.953 176.094 0.019 0.000 1.055 226 V CA -0.426 61.882 62.300 0.013 0.000 0.902 226 V CB 1.330 33.164 31.823 0.019 0.000 1.030 226 V HN 0.973 nan 8.190 nan 0.000 0.448 227 S N 2.255 117.964 115.700 0.015 0.000 2.648 227 S HA 0.162 4.632 4.470 -0.000 0.000 0.270 227 S C 0.366 174.974 174.600 0.013 0.000 1.080 227 S CA -0.030 58.180 58.200 0.016 0.000 1.159 227 S CB 0.131 63.338 63.200 0.012 0.000 1.091 227 S HN 0.650 nan 8.310 nan 0.000 0.605 228 N N 2.018 120.724 118.700 0.011 0.000 2.420 228 N HA 0.373 5.113 4.740 -0.000 0.000 0.249 228 N C 1.064 176.579 175.510 0.008 0.000 1.033 228 N CA -0.205 52.850 53.050 0.008 0.000 0.944 228 N CB 1.209 39.699 38.487 0.006 0.000 1.113 228 N HN -0.020 nan 8.380 nan 0.000 0.502 229 V N 4.589 124.507 119.914 0.007 0.000 2.278 229 V HA -0.354 3.766 4.120 -0.000 0.000 0.251 229 V C 2.331 178.427 176.094 0.003 0.000 1.062 229 V CA 1.933 64.236 62.300 0.006 0.000 1.038 229 V CB -0.615 31.210 31.823 0.004 0.000 0.646 229 V HN 0.704 nan 8.190 nan 0.000 0.447 230 R N -0.004 120.497 120.500 0.002 0.000 2.132 230 R HA -0.255 4.085 4.340 -0.000 0.000 0.233 230 R C 2.302 178.602 176.300 0.000 0.000 1.125 230 R CA 2.221 58.321 56.100 -0.000 0.000 0.914 230 R CB -0.659 29.641 30.300 -0.000 0.000 0.845 230 R HN 0.610 nan 8.270 nan 0.000 0.431 231 E N 0.591 120.793 120.200 0.003 0.000 2.208 231 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 231 E C 2.111 178.713 176.600 0.004 0.000 1.014 231 E CA 1.276 57.679 56.400 0.005 0.000 0.819 231 E CB -0.187 29.518 29.700 0.008 0.000 0.735 231 E HN 0.351 nan 8.360 nan 0.000 0.469 232 L N 0.168 121.392 121.223 0.003 0.000 2.007 232 L HA -0.175 4.165 4.340 -0.000 0.000 0.205 232 L C 2.476 179.342 176.870 -0.007 0.000 1.073 232 L CA 0.665 55.505 54.840 -0.000 0.000 0.744 232 L CB -0.511 41.550 42.059 0.004 0.000 0.898 232 L HN 0.160 nan 8.230 nan 0.000 0.435 233 L N -0.081 121.138 121.223 -0.007 0.000 2.077 233 L HA -0.304 4.036 4.340 -0.000 0.000 0.231 233 L C -0.270 176.589 176.870 -0.018 0.000 1.100 233 L CA 2.208 57.041 54.840 -0.012 0.000 0.819 233 L CB -2.443 39.611 42.059 -0.009 0.000 0.913 233 L HN 0.262 nan 8.230 nan 0.000 0.446 234 P HA -0.278 nan 4.420 nan 0.000 0.216 234 P C 1.830 179.111 177.300 -0.031 0.000 1.167 234 P CA 2.073 65.161 63.100 -0.020 0.000 0.914 234 P CB -0.110 31.582 31.700 -0.013 0.000 0.793 235 I N -1.290 119.261 120.570 -0.031 0.000 2.546 235 I HA -0.139 4.031 4.170 -0.000 0.000 0.255 235 I C 2.435 178.514 176.117 -0.063 0.000 1.163 235 I CA 0.755 62.026 61.300 -0.048 0.000 1.457 235 I CB -0.233 37.746 38.000 -0.034 0.000 1.092 235 I HN -0.163 nan 8.210 nan 0.000 0.434 236 L N 0.349 121.545 121.223 -0.044 0.000 2.201 236 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 236 L C 2.307 179.147 176.870 -0.051 0.000 1.105 236 L CA 1.312 56.125 54.840 -0.044 0.000 0.775 236 L CB -0.389 41.654 42.059 -0.026 0.000 0.913 236 L HN 0.291 nan 8.230 nan 0.000 0.440 237 E N -0.495 119.676 120.200 -0.048 0.000 2.051 237 E HA -0.192 4.158 4.350 -0.000 0.000 0.189 237 E C 2.141 178.700 176.600 -0.068 0.000 0.979 237 E CA 0.710 57.081 56.400 -0.047 0.000 0.803 237 E CB -0.074 29.605 29.700 -0.036 0.000 0.761 237 E HN 0.536 nan 8.360 nan 0.000 0.451 238 Q N 0.635 120.385 119.800 -0.082 0.000 2.112 238 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 238 Q C 2.383 178.279 176.000 -0.173 0.000 0.987 238 Q CA 1.673 57.408 55.803 -0.113 0.000 0.858 238 Q CB -0.189 28.478 28.738 -0.118 0.000 0.905 238 Q HN 0.149 nan 8.270 nan 0.000 0.420 239 V N 0.843 120.638 119.914 -0.198 0.000 2.283 239 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 239 V C 2.317 178.324 176.094 -0.146 0.000 1.039 239 V CA 1.573 63.712 62.300 -0.269 0.000 1.016 239 V CB -1.083 30.601 31.823 -0.232 0.000 0.650 239 V HN 0.392 nan 8.190 nan 0.000 0.449 240 A N -0.648 122.121 122.820 -0.086 0.000 1.986 240 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 240 A C 2.142 179.704 177.584 -0.036 0.000 1.171 240 A CA 2.102 54.112 52.037 -0.044 0.000 0.640 240 A CB -0.506 18.474 19.000 -0.033 0.000 0.811 240 A HN 0.669 nan 8.150 nan 0.000 0.451 241 Q N -1.431 118.337 119.800 -0.053 0.000 2.389 241 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 241 Q C 1.487 177.467 176.000 -0.032 0.000 0.944 241 Q CA 1.263 57.043 55.803 -0.038 0.000 0.908 241 Q CB 0.003 28.715 28.738 -0.043 0.000 1.002 241 Q HN 0.657 nan 8.270 nan 0.000 0.493 242 T N -0.800 113.722 114.554 -0.054 0.000 3.088 242 T HA 0.043 4.393 4.350 -0.000 0.000 0.259 242 T C 1.284 176.015 174.700 0.052 0.000 1.122 242 T CA 0.790 62.882 62.100 -0.014 0.000 1.095 242 T CB 0.074 68.887 68.868 -0.092 0.000 0.930 242 T HN 0.573 nan 8.240 nan 0.000 0.508 243 G N 1.815 110.634 108.800 0.033 0.000 2.175 243 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.265 243 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.265 243 G C 0.086 175.036 174.900 0.082 0.000 0.979 243 G CA 0.159 45.287 45.100 0.047 0.000 0.663 243 G HN 0.377 nan 8.290 nan 0.000 0.533 244 K N 0.515 121.003 120.400 0.148 0.000 2.123 244 K HA 0.546 4.866 4.320 -0.000 0.000 0.259 244 K C -2.261 174.456 176.600 0.195 0.000 0.960 244 K CA -2.268 54.149 56.287 0.217 0.000 0.872 244 K CB 1.258 34.041 32.500 0.471 0.000 1.079 244 K HN 0.012 nan 8.250 nan 0.000 0.440 245 P HA 0.148 nan 4.420 nan 0.000 0.271 245 P C -0.850 176.534 177.300 0.140 0.000 1.244 245 P CA -0.436 62.716 63.100 0.087 0.000 0.793 245 P CB 0.452 32.176 31.700 0.039 0.000 0.984 246 L N 1.382 122.644 121.223 0.065 0.000 2.464 246 L HA 0.612 4.952 4.340 -0.000 0.000 0.266 246 L C -1.844 175.023 176.870 -0.004 0.000 0.965 246 L CA -0.795 54.088 54.840 0.072 0.000 0.833 246 L CB 1.868 43.953 42.059 0.043 0.000 1.296 246 L HN 0.106 nan 8.230 nan 0.000 0.405 247 L N 5.899 127.133 121.223 0.019 0.000 2.313 247 L HA 0.675 5.015 4.340 -0.000 0.000 0.283 247 L C -1.213 175.660 176.870 0.006 0.000 1.013 247 L CA -0.078 54.758 54.840 -0.007 0.000 0.816 247 L CB 1.311 43.384 42.059 0.024 0.000 1.236 247 L HN 0.563 nan 8.230 nan 0.000 0.419 248 I N 6.534 127.094 120.570 -0.016 0.000 2.339 248 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 248 I C -0.517 175.621 176.117 0.034 0.000 0.994 248 I CA -0.344 60.959 61.300 0.005 0.000 1.191 248 I CB 1.373 39.369 38.000 -0.006 0.000 1.343 248 I HN 0.499 nan 8.210 nan 0.000 0.458 249 I N 6.358 126.943 120.570 0.025 0.000 2.428 249 I HA 0.562 4.732 4.170 -0.000 0.000 0.279 249 I C 0.077 176.181 176.117 -0.023 0.000 1.040 249 I CA -0.096 61.213 61.300 0.015 0.000 1.171 249 I CB 1.124 39.130 38.000 0.010 0.000 1.312 249 I HN 0.658 nan 8.210 nan 0.000 0.470 250 A N 4.124 126.934 122.820 -0.016 0.000 2.430 250 A HA 0.418 4.738 4.320 -0.000 0.000 0.300 250 A C 0.948 178.503 177.584 -0.049 0.000 1.124 250 A CA -0.559 51.459 52.037 -0.032 0.000 0.766 250 A CB 1.417 20.410 19.000 -0.011 0.000 1.328 250 A HN 0.736 nan 8.150 nan 0.000 0.424 251 E N -0.470 119.688 120.200 -0.069 0.000 2.208 251 E HA -0.229 4.121 4.350 -0.000 0.000 0.202 251 E C -0.079 176.478 176.600 -0.072 0.000 1.014 251 E CA 2.067 58.408 56.400 -0.099 0.000 0.819 251 E CB 0.092 29.732 29.700 -0.100 0.000 0.735 251 E HN 0.660 nan 8.360 nan 0.000 0.469 252 D N -2.674 117.709 120.400 -0.029 0.000 2.912 252 D HA 0.096 4.736 4.640 -0.000 0.000 0.263 252 D C -1.997 174.321 176.300 0.029 0.000 1.152 252 D CA -0.487 53.516 54.000 0.006 0.000 0.728 252 D CB 1.405 42.204 40.800 -0.003 0.000 1.337 252 D HN -0.136 nan 8.370 nan 0.000 0.435 253 V N 2.849 122.800 119.914 0.062 0.000 2.357 253 V HA 0.490 4.610 4.120 -0.000 0.000 0.281 253 V C 0.044 176.183 176.094 0.075 0.000 1.015 253 V CA -0.487 61.860 62.300 0.078 0.000 0.827 253 V CB 1.010 32.910 31.823 0.129 0.000 1.018 253 V HN 0.539 nan 8.190 nan 0.000 0.432 254 E N 3.197 123.427 120.200 0.050 0.000 2.449 254 E HA 0.848 5.198 4.350 -0.000 0.000 0.254 254 E C 0.595 177.213 176.600 0.031 0.000 0.907 254 E CA -0.392 56.032 56.400 0.039 0.000 0.840 254 E CB 1.700 31.416 29.700 0.027 0.000 1.459 254 E HN 0.804 nan 8.360 nan 0.000 0.407 255 G N 1.292 110.105 108.800 0.022 0.000 2.582 255 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.288 255 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.288 255 G C 0.755 175.663 174.900 0.013 0.000 1.247 255 G CA 0.894 46.003 45.100 0.015 0.000 0.972 255 G HN 0.865 nan 8.290 nan 0.000 0.557 256 E N 0.366 120.572 120.200 0.010 0.000 2.204 256 E HA 0.207 4.557 4.350 -0.000 0.000 0.194 256 E C 2.692 179.301 176.600 0.015 0.000 0.989 256 E CA 1.657 58.061 56.400 0.007 0.000 0.824 256 E CB -0.314 29.388 29.700 0.004 0.000 0.756 256 E HN 1.062 nan 8.360 nan 0.000 0.477 257 A N 1.686 124.519 122.820 0.023 0.000 1.908 257 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 257 A C 2.210 179.827 177.584 0.055 0.000 1.181 257 A CA 1.433 53.490 52.037 0.033 0.000 0.627 257 A CB -0.589 18.431 19.000 0.033 0.000 0.818 257 A HN 0.310 nan 8.150 nan 0.000 0.445 258 L N -0.466 120.794 121.223 0.062 0.000 2.023 258 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 258 L C 2.740 179.649 176.870 0.066 0.000 1.073 258 L CA 2.094 56.992 54.840 0.096 0.000 0.745 258 L CB -0.895 41.210 42.059 0.076 0.000 0.900 258 L HN 0.336 nan 8.230 nan 0.000 0.435 259 A N -1.371 121.459 122.820 0.016 0.000 1.948 259 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 259 A C 2.223 179.802 177.584 -0.008 0.000 1.177 259 A CA 2.505 54.529 52.037 -0.022 0.000 0.636 259 A CB -1.313 17.669 19.000 -0.029 0.000 0.815 259 A HN 0.553 nan 8.150 nan 0.000 0.449 260 T N 0.552 115.116 114.554 0.017 0.000 2.569 260 T HA -0.148 4.202 4.350 -0.000 0.000 0.263 260 T C 1.829 176.555 174.700 0.044 0.000 1.074 260 T CA 1.571 63.683 62.100 0.020 0.000 1.176 260 T CB -0.582 68.299 68.868 0.021 0.000 0.863 260 T HN 0.384 nan 8.240 nan 0.000 0.410 261 L N 0.912 122.185 121.223 0.084 0.000 2.064 261 L HA -0.185 4.155 4.340 -0.000 0.000 0.216 261 L C 2.673 179.664 176.870 0.203 0.000 1.077 261 L CA 1.118 56.034 54.840 0.128 0.000 0.766 261 L CB -0.932 41.235 42.059 0.180 0.000 0.890 261 L HN 0.164 nan 8.230 nan 0.000 0.435 262 V N -1.009 119.025 119.914 0.199 0.000 2.295 262 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 262 V C 2.379 178.474 176.094 0.000 0.000 1.049 262 V CA 1.622 63.987 62.300 0.108 0.000 1.024 262 V CB -0.317 31.427 31.823 -0.131 0.000 0.648 262 V HN 0.215 nan 8.190 nan 0.000 0.447 263 V N 0.731 120.627 119.914 -0.031 0.000 2.295 263 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 263 V C 2.289 178.380 176.094 -0.005 0.000 1.049 263 V CA 2.112 64.387 62.300 -0.042 0.000 1.024 263 V CB -0.871 30.928 31.823 -0.040 0.000 0.648 263 V HN 0.583 nan 8.190 nan 0.000 0.447 264 N N 0.491 119.200 118.700 0.016 0.000 2.188 264 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 264 N C 1.896 177.425 175.510 0.032 0.000 1.018 264 N CA 1.489 54.550 53.050 0.019 0.000 0.858 264 N CB -0.217 38.279 38.487 0.016 0.000 0.989 264 N HN 0.444 nan 8.380 nan 0.000 0.426 265 K N 1.940 122.377 120.400 0.062 0.000 2.002 265 K HA -0.003 4.317 4.320 -0.000 0.000 0.209 265 K C 1.944 178.589 176.600 0.075 0.000 1.048 265 K CA 1.063 57.401 56.287 0.086 0.000 0.930 265 K CB -0.600 32.012 32.500 0.187 0.000 0.714 265 K HN 0.094 nan 8.250 nan 0.000 0.438 266 L N 0.156 121.418 121.223 0.065 0.000 2.362 266 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 266 L C 2.461 179.348 176.870 0.028 0.000 1.134 266 L CA 0.656 55.524 54.840 0.047 0.000 0.807 266 L CB -0.224 41.843 42.059 0.012 0.000 0.927 266 L HN 0.154 nan 8.230 nan 0.000 0.447 267 R N 0.069 120.581 120.500 0.020 0.000 2.066 267 R HA 0.036 4.376 4.340 -0.000 0.000 0.224 267 R C 1.470 177.780 176.300 0.016 0.000 1.122 267 R CA 1.378 57.486 56.100 0.013 0.000 0.974 267 R CB -0.127 30.177 30.300 0.007 0.000 0.871 267 R HN 0.266 nan 8.270 nan 0.000 0.435 268 G N -2.294 106.518 108.800 0.020 0.000 2.205 268 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.180 268 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.180 268 G C 0.944 175.852 174.900 0.014 0.000 1.004 268 G CA 0.423 45.534 45.100 0.019 0.000 0.670 268 G HN 0.322 nan 8.290 nan 0.000 0.496 269 T N -0.264 114.297 114.554 0.012 0.000 2.607 269 T HA 0.115 4.465 4.350 -0.000 0.000 0.267 269 T C 0.689 175.392 174.700 0.006 0.000 1.049 269 T CA 1.855 63.959 62.100 0.006 0.000 1.162 269 T CB 0.035 68.906 68.868 0.005 0.000 0.863 269 T HN 0.888 nan 8.240 nan 0.000 0.424 270 L N 0.642 121.870 121.223 0.008 0.000 2.482 270 L HA 0.474 4.814 4.340 -0.000 0.000 0.263 270 L C -0.885 175.988 176.870 0.005 0.000 0.957 270 L CA -0.742 54.101 54.840 0.004 0.000 0.836 270 L CB 2.072 44.128 42.059 -0.006 0.000 1.324 270 L HN 0.120 nan 8.230 nan 0.000 0.406 271 S N 4.166 119.869 115.700 0.005 0.000 2.430 271 S HA 0.807 5.277 4.470 -0.000 0.000 0.289 271 S C -0.300 174.277 174.600 -0.038 0.000 1.143 271 S CA -0.021 58.178 58.200 -0.002 0.000 1.067 271 S CB 0.535 63.742 63.200 0.011 0.000 0.964 271 S HN 1.106 nan 8.310 nan 0.000 0.485 272 V N -0.893 118.959 119.914 -0.103 0.000 3.202 272 V HA 1.050 5.170 4.120 -0.000 0.000 0.306 272 V C -0.518 175.250 176.094 -0.542 0.000 1.283 272 V CA -0.902 61.263 62.300 -0.226 0.000 1.065 272 V CB 1.109 32.808 31.823 -0.206 0.000 1.079 272 V HN 1.438 nan 8.190 nan 0.000 0.448 273 A N 0.321 122.734 122.820 -0.679 0.000 2.540 273 A HA 0.998 5.318 4.320 -0.000 0.000 0.297 273 A C -0.519 176.715 177.584 -0.583 0.000 1.056 273 A CA -0.126 51.264 52.037 -1.079 0.000 0.700 273 A CB 1.414 20.225 19.000 -0.314 0.000 1.280 273 A HN 2.494 nan 8.150 nan 0.000 0.398 274 A N 1.159 123.751 122.820 -0.381 0.000 2.317 274 A HA 0.817 5.137 4.320 -0.000 0.000 0.327 274 A C -0.727 177.037 177.584 0.301 0.000 1.178 274 A CA -0.526 51.600 52.037 0.148 0.000 0.817 274 A CB 1.082 20.292 19.000 0.350 0.000 1.189 274 A HN 1.581 nan 8.150 nan 0.000 0.489 275 V N 2.621 122.658 119.914 0.205 0.000 2.808 275 V HA 0.297 4.417 4.120 -0.000 0.000 0.308 275 V C -0.269 175.911 176.094 0.143 0.000 1.099 275 V CA -0.999 61.435 62.300 0.224 0.000 0.920 275 V CB 2.188 34.182 31.823 0.285 0.000 1.014 275 V HN 0.975 nan 8.190 nan 0.000 0.425 276 K N 2.349 122.820 120.400 0.118 0.000 2.295 276 K HA 0.584 4.904 4.320 -0.000 0.000 0.270 276 K C 0.484 177.039 176.600 -0.076 0.000 1.011 276 K CA -0.032 56.272 56.287 0.029 0.000 0.953 276 K CB 0.867 33.392 32.500 0.041 0.000 0.956 276 K HN 0.886 nan 8.250 nan 0.000 0.477 277 A N 4.379 127.115 122.820 -0.141 0.000 2.577 277 A HA 0.018 4.338 4.320 -0.000 0.000 0.233 277 A C -1.202 176.191 177.584 -0.318 0.000 1.076 277 A CA -0.757 51.130 52.037 -0.249 0.000 0.767 277 A CB -0.390 18.490 19.000 -0.200 0.000 1.017 277 A HN 0.591 nan 8.150 nan 0.000 0.511 278 P HA -0.070 nan 4.420 nan 0.000 0.201 278 P C 1.281 178.554 177.300 -0.045 0.000 0.995 278 P CA 1.339 64.216 63.100 -0.372 0.000 0.866 278 P CB -0.445 31.046 31.700 -0.349 0.000 0.652 279 G N -1.083 107.730 108.800 0.022 0.000 2.467 279 G HA2 0.289 4.249 3.960 -0.000 0.000 0.243 279 G HA3 0.289 4.249 3.960 -0.000 0.000 0.243 279 G C -0.353 174.734 174.900 0.311 0.000 1.521 279 G CA -0.005 45.200 45.100 0.174 0.000 1.055 279 G HN 0.207 nan 8.290 nan 0.000 0.553 280 F N -1.942 117.997 119.950 -0.019 0.000 2.876 280 F HA 0.613 5.140 4.527 -0.000 0.000 0.358 280 F C 1.299 177.094 175.800 -0.010 0.000 1.209 280 F CA 0.050 58.044 58.000 -0.011 0.000 1.051 280 F CB 0.681 39.683 39.000 0.004 0.000 1.474 280 F HN 0.979 nan 8.300 nan 0.000 0.521 281 G N 0.970 109.872 108.800 0.170 0.000 2.582 281 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.369 281 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.369 281 G C 0.436 175.356 174.900 0.035 0.000 1.370 281 G CA 0.765 45.917 45.100 0.088 0.000 0.955 281 G HN 0.626 nan 8.290 nan 0.000 0.525 282 D N 0.280 120.699 120.400 0.033 0.000 2.352 282 D HA 0.030 4.670 4.640 -0.000 0.000 0.232 282 D C 2.159 178.466 176.300 0.011 0.000 1.055 282 D CA 0.503 54.511 54.000 0.013 0.000 0.891 282 D CB 0.155 40.963 40.800 0.013 0.000 0.897 282 D HN 0.460 nan 8.370 nan 0.000 0.529 283 R N 1.106 121.622 120.500 0.027 0.000 2.075 283 R HA -0.011 4.329 4.340 -0.000 0.000 0.220 283 R C 2.269 178.575 176.300 0.011 0.000 1.118 283 R CA 0.348 56.462 56.100 0.024 0.000 0.986 283 R CB 0.201 30.528 30.300 0.045 0.000 0.884 283 R HN 0.054 nan 8.270 nan 0.000 0.439 284 R N 0.430 120.933 120.500 0.005 0.000 2.189 284 R HA -0.046 4.294 4.340 -0.000 0.000 0.223 284 R C 1.599 177.860 176.300 -0.065 0.000 1.092 284 R CA 1.195 57.270 56.100 -0.042 0.000 0.989 284 R CB -0.153 30.101 30.300 -0.077 0.000 0.876 284 R HN 0.138 nan 8.270 nan 0.000 0.457 285 K N 0.700 121.070 120.400 -0.049 0.000 2.031 285 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 285 K C 1.910 178.482 176.600 -0.047 0.000 1.049 285 K CA 1.100 57.354 56.287 -0.054 0.000 0.939 285 K CB 0.060 32.536 32.500 -0.039 0.000 0.717 285 K HN 0.160 nan 8.250 nan 0.000 0.438 286 E N 0.445 120.628 120.200 -0.028 0.000 2.274 286 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 286 E C 1.843 178.433 176.600 -0.018 0.000 0.996 286 E CA 0.916 57.304 56.400 -0.020 0.000 0.840 286 E CB 0.107 29.804 29.700 -0.005 0.000 0.772 286 E HN 0.366 nan 8.360 nan 0.000 0.491 287 M N -0.287 119.302 119.600 -0.019 0.000 2.287 287 M HA 0.006 4.486 4.480 -0.000 0.000 0.266 287 M C 2.241 178.495 176.300 -0.077 0.000 1.079 287 M CA 0.601 55.898 55.300 -0.004 0.000 1.146 287 M CB -0.023 32.593 32.600 0.025 0.000 1.374 287 M HN 0.050 nan 8.290 nan 0.000 0.435 288 L N -0.114 121.047 121.223 -0.104 0.000 2.083 288 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 288 L C 2.632 179.425 176.870 -0.128 0.000 1.083 288 L CA 0.977 55.737 54.840 -0.134 0.000 0.752 288 L CB -0.709 41.275 42.059 -0.125 0.000 0.899 288 L HN 0.234 nan 8.230 nan 0.000 0.433 289 K N 0.244 120.584 120.400 -0.100 0.000 2.063 289 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 289 K C 1.625 178.168 176.600 -0.095 0.000 1.048 289 K CA 1.712 57.945 56.287 -0.089 0.000 0.928 289 K CB -0.211 32.252 32.500 -0.061 0.000 0.713 289 K HN 0.294 nan 8.250 nan 0.000 0.442 290 D N 0.392 120.733 120.400 -0.098 0.000 2.084 290 D HA -0.056 4.584 4.640 -0.000 0.000 0.196 290 D C 1.969 178.113 176.300 -0.260 0.000 0.985 290 D CA 0.832 54.764 54.000 -0.113 0.000 0.826 290 D CB -0.160 40.624 40.800 -0.027 0.000 0.978 290 D HN 0.137 nan 8.370 nan 0.000 0.456 291 I N 1.030 121.372 120.570 -0.380 0.000 2.194 291 I HA -0.335 3.835 4.170 -0.000 0.000 0.246 291 I C 2.371 178.347 176.117 -0.235 0.000 1.093 291 I CA 1.160 62.193 61.300 -0.446 0.000 1.355 291 I CB -0.376 37.453 38.000 -0.285 0.000 1.046 291 I HN -0.034 nan 8.210 nan 0.000 0.413 292 A N 1.095 123.816 122.820 -0.164 0.000 1.834 292 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 292 A C 2.569 180.096 177.584 -0.095 0.000 1.203 292 A CA 2.217 54.186 52.037 -0.113 0.000 0.621 292 A CB -1.226 17.711 19.000 -0.105 0.000 0.841 292 A HN 0.435 nan 8.150 nan 0.000 0.446 293 A N -1.109 121.659 122.820 -0.087 0.000 2.148 293 A HA -0.018 4.302 4.320 -0.000 0.000 0.222 293 A C 2.079 179.631 177.584 -0.054 0.000 1.161 293 A CA 2.017 54.019 52.037 -0.059 0.000 0.662 293 A CB -0.719 18.256 19.000 -0.043 0.000 0.799 293 A HN 0.476 nan 8.150 nan 0.000 0.466 294 V N -0.550 119.312 119.914 -0.087 0.000 2.599 294 V HA -0.101 4.019 4.120 -0.000 0.000 0.245 294 V C 2.651 178.712 176.094 -0.054 0.000 1.046 294 V CA 2.058 64.319 62.300 -0.066 0.000 1.065 294 V CB -0.528 31.228 31.823 -0.112 0.000 0.703 294 V HN 0.787 nan 8.190 nan 0.000 0.464 295 T N -3.188 111.324 114.554 -0.070 0.000 3.051 295 T HA 0.342 4.692 4.350 -0.000 0.000 0.255 295 T C 1.665 176.340 174.700 -0.043 0.000 1.085 295 T CA 1.059 63.127 62.100 -0.054 0.000 1.109 295 T CB 0.786 69.622 68.868 -0.053 0.000 0.921 295 T HN 0.775 nan 8.240 nan 0.000 0.488 296 G N 1.014 109.790 108.800 -0.041 0.000 2.258 296 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.233 296 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.233 296 G C 0.684 175.572 174.900 -0.020 0.000 1.006 296 G CA 0.001 45.085 45.100 -0.026 0.000 0.620 296 G HN 0.956 nan 8.290 nan 0.000 0.511 297 G N -0.386 108.402 108.800 -0.020 0.000 2.593 297 G HA2 0.463 4.423 3.960 -0.000 0.000 0.279 297 G HA3 0.463 4.423 3.960 -0.000 0.000 0.279 297 G C 0.028 174.900 174.900 -0.045 0.000 1.329 297 G CA 1.164 46.256 45.100 -0.013 0.000 1.036 297 G HN 0.850 nan 8.290 nan 0.000 0.555 298 T N -0.729 113.785 114.554 -0.067 0.000 2.863 298 T HA 0.427 4.777 4.350 -0.000 0.000 0.285 298 T C -0.136 174.445 174.700 -0.199 0.000 1.009 298 T CA -0.394 61.624 62.100 -0.136 0.000 0.989 298 T CB 1.867 70.650 68.868 -0.143 0.000 1.004 298 T HN 0.356 nan 8.240 nan 0.000 0.455 299 V N 3.846 123.609 119.914 -0.250 0.000 2.455 299 V HA 0.259 4.379 4.120 -0.000 0.000 0.273 299 V C 0.628 176.485 176.094 -0.396 0.000 1.045 299 V CA -0.396 61.754 62.300 -0.251 0.000 0.976 299 V CB 0.315 32.021 31.823 -0.196 0.000 0.993 299 V HN 0.798 nan 8.190 nan 0.000 0.475 300 I N 4.329 124.729 120.570 -0.282 0.000 2.270 300 I HA 0.052 4.222 4.170 -0.000 0.000 0.294 300 I C 0.649 176.672 176.117 -0.156 0.000 1.164 300 I CA 0.344 61.489 61.300 -0.258 0.000 1.680 300 I CB -0.287 37.662 38.000 -0.086 0.000 1.494 300 I HN 0.589 nan 8.210 nan 0.000 0.767 301 S N 3.976 119.548 115.700 -0.213 0.000 2.443 301 S HA 0.009 4.479 4.470 -0.000 0.000 0.284 301 S C 1.451 176.073 174.600 0.037 0.000 1.206 301 S CA -0.535 57.619 58.200 -0.077 0.000 1.074 301 S CB 0.282 63.434 63.200 -0.080 0.000 0.963 301 S HN 0.682 nan 8.310 nan 0.000 0.501 302 E N 2.203 122.419 120.200 0.026 0.000 2.331 302 E HA -0.235 4.115 4.350 -0.000 0.000 0.199 302 E C 0.656 177.288 176.600 0.054 0.000 1.008 302 E CA 1.346 57.774 56.400 0.048 0.000 0.843 302 E CB -0.185 29.526 29.700 0.019 0.000 0.761 302 E HN 0.746 nan 8.360 nan 0.000 0.507 303 E N 0.233 120.460 120.200 0.044 0.000 2.569 303 E HA 0.160 4.510 4.350 -0.000 0.000 0.205 303 E C 0.978 177.617 176.600 0.064 0.000 1.006 303 E CA -0.180 56.245 56.400 0.042 0.000 0.985 303 E CB 0.667 30.378 29.700 0.020 0.000 1.060 303 E HN 0.274 nan 8.360 nan 0.000 0.460 304 L N -0.051 121.243 121.223 0.119 0.000 2.878 304 L HA 0.516 4.856 4.340 -0.000 0.000 0.253 304 L C 0.878 177.892 176.870 0.240 0.000 1.135 304 L CA 1.041 55.986 54.840 0.175 0.000 0.943 304 L CB 0.830 43.005 42.059 0.193 0.000 1.307 304 L HN 0.292 nan 8.230 nan 0.000 0.545 305 G N 0.024 108.956 108.800 0.220 0.000 2.526 305 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.225 305 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.225 305 G C -0.547 174.363 174.900 0.016 0.000 1.120 305 G CA -0.123 45.030 45.100 0.088 0.000 0.904 305 G HN 0.090 nan 8.290 nan 0.000 0.498 306 F N -0.201 119.742 119.950 -0.011 0.000 2.556 306 F HA 0.632 5.159 4.527 -0.000 0.000 0.314 306 F C 0.376 176.169 175.800 -0.012 0.000 1.106 306 F CA -0.923 57.070 58.000 -0.011 0.000 0.911 306 F CB 2.214 41.207 39.000 -0.012 0.000 1.190 306 F HN -0.028 nan 8.300 nan 0.000 0.448 307 K N 2.889 123.375 120.400 0.144 0.000 2.235 307 K HA 0.303 4.623 4.320 -0.000 0.000 0.266 307 K C 0.590 177.241 176.600 0.086 0.000 0.980 307 K CA -0.735 55.600 56.287 0.081 0.000 0.849 307 K CB 2.097 34.615 32.500 0.029 0.000 1.098 307 K HN 0.560 nan 8.250 nan 0.000 0.445 308 L N 4.660 125.920 121.223 0.062 0.000 2.021 308 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 308 L C 2.019 178.909 176.870 0.033 0.000 1.074 308 L CA 2.080 56.946 54.840 0.044 0.000 0.760 308 L CB -0.462 41.612 42.059 0.025 0.000 0.889 308 L HN 0.796 nan 8.230 nan 0.000 0.433 309 E N -1.443 118.771 120.200 0.024 0.000 2.160 309 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 309 E C 0.806 177.414 176.600 0.012 0.000 0.991 309 E CA 1.465 57.872 56.400 0.012 0.000 0.810 309 E CB -0.700 29.004 29.700 0.006 0.000 0.742 309 E HN 0.579 nan 8.360 nan 0.000 0.466 310 N N 1.190 119.904 118.700 0.022 0.000 2.346 310 N HA 0.197 4.937 4.740 -0.000 0.000 0.225 310 N C -0.475 175.063 175.510 0.045 0.000 1.144 310 N CA 0.387 53.448 53.050 0.018 0.000 0.837 310 N CB 0.732 39.218 38.487 -0.001 0.000 1.069 310 N HN 0.215 nan 8.380 nan 0.000 0.487 311 A N 0.273 123.122 122.820 0.049 0.000 2.322 311 A HA 0.574 4.894 4.320 -0.000 0.000 0.269 311 A C 0.478 178.078 177.584 0.026 0.000 1.094 311 A CA 0.091 52.163 52.037 0.059 0.000 0.807 311 A CB 0.518 19.542 19.000 0.040 0.000 1.047 311 A HN 0.134 nan 8.150 nan 0.000 0.487 312 T N 1.317 115.889 114.554 0.030 0.000 2.916 312 T HA 0.434 4.784 4.350 -0.000 0.000 0.292 312 T C 1.143 175.832 174.700 -0.018 0.000 1.064 312 T CA -0.691 61.410 62.100 0.001 0.000 1.011 312 T CB 1.188 70.066 68.868 0.018 0.000 1.152 312 T HN 0.408 nan 8.240 nan 0.000 0.510 313 L N 1.087 122.275 121.223 -0.058 0.000 2.362 313 L HA -0.074 4.266 4.340 -0.000 0.000 0.219 313 L C 2.727 179.605 176.870 0.014 0.000 1.134 313 L CA 1.004 55.785 54.840 -0.098 0.000 0.807 313 L CB -0.660 41.285 42.059 -0.189 0.000 0.927 313 L HN 0.831 nan 8.230 nan 0.000 0.447 314 S N 0.757 116.472 115.700 0.025 0.000 2.383 314 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 314 S C 1.619 176.255 174.600 0.061 0.000 1.026 314 S CA 0.908 59.138 58.200 0.050 0.000 0.981 314 S CB -0.333 62.892 63.200 0.041 0.000 0.818 314 S HN 0.610 nan 8.310 nan 0.000 0.472 315 M N 0.598 120.232 119.600 0.057 0.000 2.738 315 M HA 0.498 4.978 4.480 -0.000 0.000 0.295 315 M C -0.595 175.727 176.300 0.037 0.000 1.266 315 M CA -0.118 55.211 55.300 0.047 0.000 0.985 315 M CB -0.197 32.442 32.600 0.064 0.000 1.365 315 M HN 0.072 nan 8.290 nan 0.000 0.492 316 L N 1.252 122.523 121.223 0.080 0.000 2.322 316 L HA 0.744 5.084 4.340 -0.000 0.000 0.279 316 L C 0.586 177.529 176.870 0.122 0.000 1.036 316 L CA -0.749 54.165 54.840 0.122 0.000 0.807 316 L CB 1.829 44.027 42.059 0.231 0.000 1.226 316 L HN 0.409 nan 8.230 nan 0.000 0.433 317 G N 2.227 111.072 108.800 0.075 0.000 2.507 317 G HA2 0.623 4.583 3.960 -0.000 0.000 0.271 317 G HA3 0.623 4.583 3.960 -0.000 0.000 0.271 317 G C -0.745 174.157 174.900 0.003 0.000 1.189 317 G CA -0.448 44.665 45.100 0.022 0.000 0.859 317 G HN 0.775 nan 8.290 nan 0.000 0.542 318 R N -0.532 119.924 120.500 -0.074 0.000 2.643 318 R HA 0.784 5.124 4.340 -0.000 0.000 0.269 318 R C -1.090 175.125 176.300 -0.140 0.000 1.037 318 R CA -0.873 55.114 56.100 -0.188 0.000 0.894 318 R CB 1.545 31.607 30.300 -0.397 0.000 1.238 318 R HN 0.914 nan 8.270 nan 0.000 0.459 319 A N 0.796 123.529 122.820 -0.146 0.000 2.569 319 A HA 0.333 4.653 4.320 -0.000 0.000 0.290 319 A C 0.104 177.629 177.584 -0.100 0.000 1.136 319 A CA -0.615 51.365 52.037 -0.095 0.000 0.710 319 A CB 1.912 20.879 19.000 -0.056 0.000 1.303 319 A HN 1.013 nan 8.150 nan 0.000 0.413 320 E N -0.251 119.908 120.200 -0.068 0.000 2.208 320 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 320 E C 0.585 177.156 176.600 -0.049 0.000 0.988 320 E CA 0.845 57.210 56.400 -0.059 0.000 0.828 320 E CB 0.157 29.831 29.700 -0.042 0.000 0.763 320 E HN 0.464 nan 8.360 nan 0.000 0.478 321 R N -1.368 119.107 120.500 -0.041 0.000 2.712 321 R HA 0.446 4.786 4.340 -0.000 0.000 0.272 321 R C -2.045 174.241 176.300 -0.024 0.000 1.032 321 R CA -0.685 55.397 56.100 -0.030 0.000 0.874 321 R CB 2.455 32.742 30.300 -0.021 0.000 1.256 321 R HN -0.070 nan 8.270 nan 0.000 0.468 322 V N 2.487 122.391 119.914 -0.016 0.000 2.624 322 V HA 0.400 4.520 4.120 -0.000 0.000 0.294 322 V C -1.034 175.060 176.094 -0.000 0.000 1.077 322 V CA -0.658 61.635 62.300 -0.012 0.000 0.905 322 V CB 1.879 33.699 31.823 -0.006 0.000 1.025 322 V HN 0.629 nan 8.190 nan 0.000 0.440 323 R N 5.052 125.545 120.500 -0.012 0.000 2.393 323 R HA 0.774 5.114 4.340 -0.000 0.000 0.310 323 R C -1.051 175.250 176.300 0.002 0.000 0.968 323 R CA -0.534 55.568 56.100 0.004 0.000 0.867 323 R CB 2.122 32.416 30.300 -0.010 0.000 1.124 323 R HN 0.589 nan 8.270 nan 0.000 0.450 324 I N 2.406 123.017 120.570 0.068 0.000 2.468 324 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 324 I C -0.123 176.053 176.117 0.099 0.000 1.038 324 I CA -0.501 60.849 61.300 0.084 0.000 1.083 324 I CB 2.123 40.251 38.000 0.214 0.000 1.223 324 I HN 0.550 nan 8.210 nan 0.000 0.443 325 T N 3.391 117.879 114.554 -0.111 0.000 2.880 325 T HA 0.165 4.515 4.350 -0.000 0.000 0.279 325 T C 1.191 175.454 174.700 -0.727 0.000 0.990 325 T CA -0.753 61.237 62.100 -0.184 0.000 0.938 325 T CB 1.514 70.316 68.868 -0.111 0.000 1.206 325 T HN 0.577 nan 8.240 nan 0.000 0.573 326 K N 0.806 120.874 120.400 -0.554 0.000 2.286 326 K HA -0.156 4.164 4.320 -0.000 0.000 0.203 326 K C 0.414 176.757 176.600 -0.427 0.000 1.045 326 K CA 1.775 57.694 56.287 -0.614 0.000 0.935 326 K CB -0.006 32.420 32.500 -0.123 0.000 0.737 326 K HN 0.723 nan 8.250 nan 0.000 0.460 327 D N -1.583 118.644 120.400 -0.289 0.000 2.704 327 D HA 0.035 4.675 4.640 -0.000 0.000 0.291 327 D C -0.703 175.540 176.300 -0.095 0.000 1.610 327 D CA -0.278 53.634 54.000 -0.146 0.000 0.807 327 D CB 0.028 40.782 40.800 -0.077 0.000 1.233 327 D HN 0.190 nan 8.370 nan 0.000 0.445 328 E N 0.211 120.326 120.200 -0.142 0.000 2.366 328 E HA 0.468 4.818 4.350 -0.000 0.000 0.278 328 E C -1.597 174.901 176.600 -0.169 0.000 0.923 328 E CA -0.341 55.986 56.400 -0.121 0.000 0.761 328 E CB 2.405 32.039 29.700 -0.110 0.000 1.231 328 E HN -0.117 nan 8.360 nan 0.000 0.443 329 T N 1.961 116.337 114.554 -0.297 0.000 2.886 329 T HA 0.478 4.828 4.350 -0.000 0.000 0.292 329 T C -1.228 173.194 174.700 -0.463 0.000 1.012 329 T CA -0.545 61.328 62.100 -0.378 0.000 0.982 329 T CB 1.736 70.314 68.868 -0.482 0.000 1.018 329 T HN 0.372 nan 8.240 nan 0.000 0.451 330 T N 3.227 117.630 114.554 -0.251 0.000 2.840 330 T HA 0.507 4.857 4.350 -0.000 0.000 0.287 330 T C -0.019 174.624 174.700 -0.095 0.000 0.991 330 T CA -0.528 61.468 62.100 -0.174 0.000 0.964 330 T CB 0.707 69.512 68.868 -0.105 0.000 0.954 330 T HN 0.472 nan 8.240 nan 0.000 0.438 331 I N 3.784 124.330 120.570 -0.041 0.000 2.317 331 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 331 I C 0.181 176.312 176.117 0.023 0.000 1.119 331 I CA -0.607 60.699 61.300 0.009 0.000 1.228 331 I CB 0.363 38.395 38.000 0.053 0.000 1.476 331 I HN 0.336 nan 8.210 nan 0.000 0.514 332 V N 3.826 123.740 119.914 -0.001 0.000 3.051 332 V HA 0.233 4.353 4.120 -0.000 0.000 0.306 332 V C 1.455 177.545 176.094 -0.008 0.000 1.083 332 V CA -0.038 62.261 62.300 -0.002 0.000 1.104 332 V CB 1.009 32.825 31.823 -0.012 0.000 1.027 332 V HN 0.976 nan 8.190 nan 0.000 0.483 333 G N 2.879 111.675 108.800 -0.007 0.000 2.421 333 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.300 333 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.300 333 G C 0.552 175.437 174.900 -0.025 0.000 0.974 333 G CA 0.120 45.210 45.100 -0.017 0.000 1.062 333 G HN 1.480 nan 8.290 nan 0.000 0.514 334 G N -0.551 108.242 108.800 -0.012 0.000 2.432 334 G HA2 0.426 4.386 3.960 -0.000 0.000 0.239 334 G HA3 0.426 4.386 3.960 -0.000 0.000 0.239 334 G C 0.797 175.679 174.900 -0.030 0.000 1.291 334 G CA -0.418 44.668 45.100 -0.024 0.000 0.863 334 G HN 0.291 nan 8.290 nan 0.000 0.560 335 K N 1.990 122.364 120.400 -0.044 0.000 2.410 335 K HA 0.098 4.418 4.320 -0.000 0.000 0.200 335 K C 1.593 178.176 176.600 -0.029 0.000 1.023 335 K CA 0.078 56.341 56.287 -0.040 0.000 1.149 335 K CB 0.322 32.788 32.500 -0.057 0.000 0.859 335 K HN 0.550 nan 8.250 nan 0.000 0.514 336 G N 1.704 110.488 108.800 -0.028 0.000 2.818 336 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.235 336 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.235 336 G C -0.308 174.583 174.900 -0.015 0.000 1.244 336 G CA -0.237 44.849 45.100 -0.024 0.000 0.853 336 G HN 0.168 nan 8.290 nan 0.000 0.596 337 K N 0.305 120.697 120.400 -0.013 0.000 2.276 337 K HA 0.139 4.459 4.320 -0.000 0.000 0.283 337 K C 1.516 178.113 176.600 -0.004 0.000 1.044 337 K CA -0.417 55.866 56.287 -0.007 0.000 0.944 337 K CB 0.833 33.330 32.500 -0.005 0.000 1.012 337 K HN 0.553 nan 8.250 nan 0.000 0.472 338 K N 2.797 123.196 120.400 -0.002 0.000 2.044 338 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 338 K C 0.899 177.501 176.600 0.002 0.000 1.049 338 K CA 2.143 58.430 56.287 0.001 0.000 0.927 338 K CB 0.158 32.659 32.500 0.001 0.000 0.713 338 K HN 0.559 nan 8.250 nan 0.000 0.443 339 E N 0.873 121.074 120.200 0.001 0.000 2.110 339 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 339 E C 1.574 178.174 176.600 0.001 0.000 0.988 339 E CA 1.719 58.120 56.400 0.002 0.000 0.804 339 E CB -0.181 29.521 29.700 0.002 0.000 0.745 339 E HN 0.413 nan 8.360 nan 0.000 0.458 340 D N -0.161 120.238 120.400 -0.002 0.000 2.144 340 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 340 D C 1.737 178.035 176.300 -0.003 0.000 0.984 340 D CA 0.859 54.856 54.000 -0.005 0.000 0.834 340 D CB -0.018 40.774 40.800 -0.012 0.000 0.955 340 D HN 0.160 nan 8.370 nan 0.000 0.465 341 I N 0.710 121.281 120.570 0.001 0.000 2.163 341 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 341 I C 2.196 178.323 176.117 0.015 0.000 1.081 341 I CA 1.098 62.405 61.300 0.011 0.000 1.353 341 I CB -0.294 37.717 38.000 0.017 0.000 1.054 341 I HN 0.012 nan 8.210 nan 0.000 0.407 342 E N 1.081 121.289 120.200 0.012 0.000 2.085 342 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 342 E C 2.266 178.872 176.600 0.010 0.000 0.994 342 E CA 1.478 57.885 56.400 0.012 0.000 0.801 342 E CB -0.233 29.472 29.700 0.009 0.000 0.743 342 E HN 0.521 nan 8.360 nan 0.000 0.453 343 A N 1.047 123.871 122.820 0.007 0.000 2.067 343 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 343 A C 2.070 179.658 177.584 0.006 0.000 1.158 343 A CA 1.169 53.209 52.037 0.005 0.000 0.661 343 A CB -0.207 18.794 19.000 0.003 0.000 0.801 343 A HN -0.032 nan 8.150 nan 0.000 0.452 344 R N -0.100 120.404 120.500 0.007 0.000 2.119 344 R HA 0.191 4.531 4.340 -0.000 0.000 0.222 344 R C 1.681 177.992 176.300 0.018 0.000 1.088 344 R CA 1.109 57.214 56.100 0.009 0.000 0.984 344 R CB -0.563 29.741 30.300 0.007 0.000 0.884 344 R HN 0.568 nan 8.270 nan 0.000 0.447 345 I N 0.434 121.017 120.570 0.021 0.000 2.188 345 I HA -0.210 3.960 4.170 -0.000 0.000 0.237 345 I C 1.167 177.294 176.117 0.016 0.000 1.073 345 I CA 1.028 62.342 61.300 0.024 0.000 1.359 345 I CB -0.287 37.728 38.000 0.026 0.000 1.083 345 I HN 0.159 nan 8.210 nan 0.000 0.412 346 N N 1.222 119.930 118.700 0.013 0.000 2.651 346 N HA -0.103 4.637 4.740 -0.000 0.000 0.193 346 N C 1.532 177.046 175.510 0.008 0.000 1.149 346 N CA 1.099 54.155 53.050 0.009 0.000 0.933 346 N CB -0.176 38.316 38.487 0.008 0.000 0.974 346 N HN 0.465 nan 8.380 nan 0.000 0.448 347 G N 0.168 108.973 108.800 0.008 0.000 2.539 347 G HA2 0.011 3.971 3.960 -0.000 0.000 0.215 347 G HA3 0.011 3.971 3.960 -0.000 0.000 0.215 347 G C 1.581 176.485 174.900 0.006 0.000 1.141 347 G CA -0.102 45.002 45.100 0.006 0.000 0.806 347 G HN 0.231 nan 8.290 nan 0.000 0.533 348 I N 0.059 120.634 120.570 0.008 0.000 2.480 348 I HA -0.006 4.164 4.170 -0.000 0.000 0.251 348 I C 2.642 178.761 176.117 0.003 0.000 1.124 348 I CA 0.722 62.026 61.300 0.006 0.000 1.444 348 I CB -0.040 37.966 38.000 0.010 0.000 1.098 348 I HN 0.055 nan 8.210 nan 0.000 0.428 349 K N 1.139 121.542 120.400 0.005 0.000 2.001 349 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 349 K C 1.697 178.299 176.600 0.003 0.000 1.048 349 K CA 1.161 57.450 56.287 0.004 0.000 0.932 349 K CB -0.112 32.392 32.500 0.006 0.000 0.715 349 K HN -0.064 nan 8.250 nan 0.000 0.437 350 K N 1.197 121.600 120.400 0.004 0.000 2.616 350 K HA -0.123 4.197 4.320 -0.000 0.000 0.192 350 K C 1.082 177.684 176.600 0.003 0.000 1.031 350 K CA 0.958 57.247 56.287 0.004 0.000 1.004 350 K CB 0.009 32.511 32.500 0.004 0.000 0.810 350 K HN 0.349 nan 8.250 nan 0.000 0.497 351 E N -1.700 118.501 120.200 0.002 0.000 2.536 351 E HA 0.093 4.443 4.350 -0.000 0.000 0.220 351 E C 1.193 177.793 176.600 0.000 0.000 0.876 351 E CA 0.022 56.423 56.400 0.002 0.000 1.190 351 E CB -0.455 29.246 29.700 0.001 0.000 1.191 351 E HN 0.087 nan 8.360 nan 0.000 0.557 352 L N 1.676 122.898 121.223 -0.001 0.000 2.217 352 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 352 L C 1.563 178.433 176.870 -0.000 0.000 1.107 352 L CA 1.597 56.435 54.840 -0.003 0.000 0.783 352 L CB -0.345 41.711 42.059 -0.005 0.000 0.919 352 L HN 0.362 nan 8.230 nan 0.000 0.442 353 E N -0.931 119.270 120.200 0.002 0.000 2.322 353 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 353 E C 0.311 176.913 176.600 0.004 0.000 1.198 353 E CA 0.344 56.745 56.400 0.003 0.000 1.132 353 E CB -0.095 29.608 29.700 0.003 0.000 1.213 353 E HN 0.244 nan 8.360 nan 0.000 0.450 354 T N -1.077 113.479 114.554 0.004 0.000 3.333 354 T HA 0.023 4.373 4.350 -0.000 0.000 0.289 354 T C 0.091 174.795 174.700 0.006 0.000 0.866 354 T CA -0.291 61.813 62.100 0.005 0.000 0.872 354 T CB 0.825 69.696 68.868 0.005 0.000 1.227 354 T HN 0.102 nan 8.240 nan 0.000 0.676 355 T N 2.580 117.136 114.554 0.005 0.000 2.856 355 T HA 0.350 4.700 4.350 -0.000 0.000 0.292 355 T C 0.194 174.899 174.700 0.010 0.000 0.980 355 T CA -0.350 61.753 62.100 0.005 0.000 1.091 355 T CB 1.583 70.450 68.868 -0.002 0.000 0.936 355 T HN 0.034 nan 8.240 nan 0.000 0.503 356 D N 1.509 121.919 120.400 0.016 0.000 2.799 356 D HA 0.027 4.667 4.640 -0.000 0.000 0.267 356 D C 0.993 177.311 176.300 0.030 0.000 1.468 356 D CA 0.456 54.468 54.000 0.021 0.000 1.077 356 D CB -0.423 40.389 40.800 0.021 0.000 1.065 356 D HN 0.623 nan 8.370 nan 0.000 0.359 357 S N 2.073 117.798 115.700 0.042 0.000 3.712 357 S HA -0.177 4.293 4.470 -0.000 0.000 0.442 357 S C 0.975 175.622 174.600 0.077 0.000 1.086 357 S CA 0.193 58.434 58.200 0.069 0.000 1.356 357 S CB 0.011 63.269 63.200 0.096 0.000 0.876 357 S HN 0.254 nan 8.310 nan 0.000 0.547 358 E N 2.230 122.473 120.200 0.072 0.000 2.339 358 E HA -0.276 4.074 4.350 -0.000 0.000 0.201 358 E C 1.148 177.806 176.600 0.097 0.000 1.015 358 E CA 1.431 57.870 56.400 0.065 0.000 0.841 358 E CB -0.146 29.590 29.700 0.059 0.000 0.754 358 E HN 0.997 nan 8.360 nan 0.000 0.508 359 Y N -0.031 120.269 120.300 -0.000 0.000 2.263 359 Y HA -0.004 4.546 4.550 -0.000 0.000 0.292 359 Y C 1.975 177.876 175.900 0.000 0.000 1.130 359 Y CA 1.313 59.412 58.100 -0.002 0.000 1.179 359 Y CB -0.439 38.019 38.460 -0.003 0.000 0.998 359 Y HN 0.089 nan 8.280 nan 0.000 0.532 360 A N 0.517 123.287 122.820 -0.082 0.000 2.014 360 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 360 A C 2.204 179.710 177.584 -0.130 0.000 1.163 360 A CA 1.061 53.006 52.037 -0.153 0.000 0.652 360 A CB -0.429 18.552 19.000 -0.031 0.000 0.808 360 A HN 0.501 nan 8.150 nan 0.000 0.449 361 R N -0.236 120.219 120.500 -0.074 0.000 2.193 361 R HA -0.020 4.320 4.340 -0.000 0.000 0.213 361 R C 1.446 177.704 176.300 -0.069 0.000 1.055 361 R CA 1.171 57.240 56.100 -0.051 0.000 0.995 361 R CB -0.124 30.166 30.300 -0.017 0.000 0.893 361 R HN 0.634 nan 8.270 nan 0.000 0.459 362 E N 0.326 120.461 120.200 -0.107 0.000 2.250 362 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 362 E C 1.601 178.113 176.600 -0.146 0.000 0.986 362 E CA 0.369 56.707 56.400 -0.103 0.000 0.849 362 E CB 0.335 29.989 29.700 -0.075 0.000 0.797 362 E HN 0.073 nan 8.360 nan 0.000 0.482 363 K N 0.618 120.878 120.400 -0.232 0.000 2.076 363 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 363 K C 1.767 178.302 176.600 -0.109 0.000 1.051 363 K CA 0.657 56.818 56.287 -0.209 0.000 0.949 363 K CB -0.110 32.206 32.500 -0.306 0.000 0.726 363 K HN 0.168 nan 8.250 nan 0.000 0.443 364 L N 1.276 122.443 121.223 -0.093 0.000 2.682 364 L HA 0.031 4.371 4.340 -0.000 0.000 0.240 364 L C 1.709 178.559 176.870 -0.035 0.000 1.178 364 L CA 0.190 55.002 54.840 -0.048 0.000 0.970 364 L CB -0.077 41.959 42.059 -0.039 0.000 1.179 364 L HN 0.106 nan 8.230 nan 0.000 0.435 365 Q N 0.547 120.320 119.800 -0.045 0.000 2.404 365 Q HA -0.055 4.285 4.340 -0.000 0.000 0.262 365 Q C 1.785 177.766 176.000 -0.032 0.000 0.846 365 Q CA 0.465 56.249 55.803 -0.032 0.000 0.978 365 Q CB 0.487 29.203 28.738 -0.036 0.000 1.156 365 Q HN 0.569 nan 8.270 nan 0.000 0.548 366 E N -0.730 119.445 120.200 -0.043 0.000 2.435 366 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 366 E C 1.660 178.235 176.600 -0.043 0.000 1.029 366 E CA 0.069 56.440 56.400 -0.048 0.000 0.865 366 E CB 0.121 29.790 29.700 -0.052 0.000 0.833 366 E HN 0.135 nan 8.360 nan 0.000 0.510 367 R N 0.228 120.723 120.500 -0.009 0.000 2.052 367 R HA 0.015 4.355 4.340 -0.000 0.000 0.224 367 R C 2.276 178.605 176.300 0.049 0.000 1.149 367 R CA 0.911 57.037 56.100 0.043 0.000 0.962 367 R CB -0.342 29.989 30.300 0.053 0.000 0.856 367 R HN 0.193 nan 8.270 nan 0.000 0.433 368 L N 0.877 122.117 121.223 0.028 0.000 2.349 368 L HA -0.071 4.269 4.340 -0.000 0.000 0.220 368 L C 1.769 178.649 176.870 0.016 0.000 1.130 368 L CA 1.634 56.491 54.840 0.028 0.000 0.791 368 L CB -0.436 41.631 42.059 0.013 0.000 0.918 368 L HN 0.167 nan 8.230 nan 0.000 0.444 369 A N -0.591 122.223 122.820 -0.009 0.000 1.861 369 A HA -0.086 4.234 4.320 -0.000 0.000 0.212 369 A C 2.260 179.816 177.584 -0.047 0.000 1.199 369 A CA 1.164 53.186 52.037 -0.025 0.000 0.613 369 A CB -0.349 18.626 19.000 -0.042 0.000 0.846 369 A HN 0.420 nan 8.150 nan 0.000 0.446 370 K N 0.037 120.366 120.400 -0.117 0.000 2.044 370 K HA -0.093 4.227 4.320 -0.000 0.000 0.210 370 K C 1.802 178.380 176.600 -0.037 0.000 1.049 370 K CA 1.514 57.641 56.287 -0.267 0.000 0.927 370 K CB -0.503 31.537 32.500 -0.767 0.000 0.713 370 K HN 0.413 nan 8.250 nan 0.000 0.443 371 L N 0.310 121.603 121.223 0.116 0.000 2.187 371 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 371 L C 1.939 178.871 176.870 0.103 0.000 1.100 371 L CA 0.878 55.832 54.840 0.190 0.000 0.765 371 L CB -0.344 41.806 42.059 0.151 0.000 0.904 371 L HN 0.207 nan 8.230 nan 0.000 0.437 372 A N -0.421 122.433 122.820 0.057 0.000 2.507 372 A HA 0.389 4.709 4.320 -0.000 0.000 0.270 372 A C 1.467 179.070 177.584 0.031 0.000 1.318 372 A CA 0.348 52.409 52.037 0.039 0.000 0.924 372 A CB -0.473 18.543 19.000 0.027 0.000 1.061 372 A HN 0.410 nan 8.150 nan 0.000 0.516 373 G N -0.451 108.370 108.800 0.035 0.000 2.421 373 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.300 373 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.300 373 G C 0.549 175.463 174.900 0.023 0.000 0.974 373 G CA 0.470 45.584 45.100 0.024 0.000 1.062 373 G HN 1.540 nan 8.290 nan 0.000 0.514 374 G N -1.153 107.658 108.800 0.017 0.000 3.712 374 G HA2 0.581 4.541 3.960 -0.000 0.000 0.327 374 G HA3 0.581 4.541 3.960 -0.000 0.000 0.327 374 G C -0.867 174.051 174.900 0.030 0.000 1.566 374 G CA -0.280 44.848 45.100 0.047 0.000 0.953 374 G HN 0.832 nan 8.290 nan 0.000 0.488 375 V N 1.698 121.631 119.914 0.032 0.000 2.409 375 V HA 0.730 4.850 4.120 -0.000 0.000 0.290 375 V C 0.320 176.381 176.094 -0.054 0.000 1.017 375 V CA -0.671 61.613 62.300 -0.025 0.000 0.841 375 V CB 1.245 33.030 31.823 -0.064 0.000 1.003 375 V HN 0.893 nan 8.190 nan 0.000 0.426 376 A N 4.840 127.571 122.820 -0.148 0.000 2.295 376 A HA 0.922 5.242 4.320 -0.000 0.000 0.318 376 A C -0.790 176.612 177.584 -0.302 0.000 1.134 376 A CA -0.552 51.248 52.037 -0.394 0.000 0.827 376 A CB 1.657 20.351 19.000 -0.511 0.000 1.136 376 A HN 0.728 nan 8.150 nan 0.000 0.493 377 V N 3.028 122.730 119.914 -0.354 0.000 2.577 377 V HA 0.243 4.363 4.120 -0.000 0.000 0.294 377 V C -0.789 175.140 176.094 -0.276 0.000 1.052 377 V CA -0.065 62.083 62.300 -0.254 0.000 0.891 377 V CB 1.411 33.126 31.823 -0.181 0.000 1.017 377 V HN 0.754 nan 8.190 nan 0.000 0.436 378 I N 5.180 125.571 120.570 -0.297 0.000 2.312 378 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 378 I C 0.495 176.406 176.117 -0.344 0.000 1.031 378 I CA -0.300 60.779 61.300 -0.367 0.000 1.293 378 I CB 0.763 38.431 38.000 -0.554 0.000 1.403 378 I HN 0.425 nan 8.210 nan 0.000 0.484 379 R N 5.875 126.216 120.500 -0.265 0.000 2.280 379 R HA 0.382 4.722 4.340 -0.000 0.000 0.326 379 R C -0.738 175.446 176.300 -0.194 0.000 1.080 379 R CA -0.653 55.329 56.100 -0.197 0.000 1.002 379 R CB 1.050 31.274 30.300 -0.127 0.000 1.136 379 R HN 0.392 nan 8.270 nan 0.000 0.509 380 V N 2.403 122.182 119.914 -0.224 0.000 2.585 380 V HA 0.193 4.313 4.120 -0.000 0.000 0.296 380 V C 1.083 177.156 176.094 -0.035 0.000 1.035 380 V CA 0.036 62.256 62.300 -0.134 0.000 1.084 380 V CB 1.111 32.887 31.823 -0.079 0.000 0.953 380 V HN 0.871 nan 8.190 nan 0.000 0.483 381 G N 2.502 111.307 108.800 0.009 0.000 2.498 381 G HA2 0.881 4.841 3.960 -0.000 0.000 0.312 381 G HA3 0.881 4.841 3.960 -0.000 0.000 0.312 381 G C -0.821 174.102 174.900 0.039 0.000 1.230 381 G CA -0.113 44.996 45.100 0.016 0.000 0.968 381 G HN 1.265 nan 8.290 nan 0.000 0.481 382 A N -0.880 121.957 122.820 0.028 0.000 2.586 382 A HA 0.768 5.088 4.320 -0.000 0.000 0.291 382 A C 0.503 178.098 177.584 0.020 0.000 1.062 382 A CA 0.391 52.446 52.037 0.030 0.000 0.666 382 A CB 0.646 19.668 19.000 0.037 0.000 1.281 382 A HN 1.932 nan 8.150 nan 0.000 0.421 383 A N -0.282 122.549 122.820 0.018 0.000 2.081 383 A HA 0.477 4.797 4.320 -0.000 0.000 0.214 383 A C 1.111 178.702 177.584 0.011 0.000 1.158 383 A CA 2.023 54.067 52.037 0.013 0.000 0.724 383 A CB -0.388 18.618 19.000 0.011 0.000 0.826 383 A HN 2.075 nan 8.150 nan 0.000 0.463 384 T N -4.377 110.185 114.554 0.014 0.000 2.906 384 T HA 0.504 4.854 4.350 -0.000 0.000 0.295 384 T C 0.314 175.023 174.700 0.015 0.000 1.061 384 T CA -0.073 62.035 62.100 0.012 0.000 1.000 384 T CB 1.896 70.771 68.868 0.011 0.000 1.103 384 T HN 0.000 nan 8.240 nan 0.000 0.486 385 E N 1.396 121.603 120.200 0.013 0.000 2.058 385 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 385 E C 1.964 178.574 176.600 0.017 0.000 0.997 385 E CA 2.296 58.705 56.400 0.014 0.000 0.801 385 E CB -0.889 28.818 29.700 0.011 0.000 0.746 385 E HN 0.788 nan 8.360 nan 0.000 0.450 386 T N 0.306 114.868 114.554 0.014 0.000 2.684 386 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 386 T C 1.750 176.459 174.700 0.016 0.000 1.036 386 T CA 1.553 63.661 62.100 0.012 0.000 1.148 386 T CB -0.351 68.522 68.868 0.008 0.000 0.863 386 T HN 0.360 nan 8.240 nan 0.000 0.436 387 E N 0.435 120.646 120.200 0.018 0.000 2.051 387 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 387 E C 2.201 178.823 176.600 0.037 0.000 0.991 387 E CA 0.893 57.307 56.400 0.023 0.000 0.799 387 E CB -0.227 29.485 29.700 0.021 0.000 0.748 387 E HN 0.264 nan 8.360 nan 0.000 0.449 388 L N 1.939 123.184 121.223 0.037 0.000 1.990 388 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 388 L C 2.366 179.274 176.870 0.063 0.000 1.072 388 L CA 2.299 57.169 54.840 0.050 0.000 0.755 388 L CB -0.658 41.422 42.059 0.035 0.000 0.889 388 L HN 0.060 nan 8.230 nan 0.000 0.432 389 K N -1.066 119.363 120.400 0.048 0.000 2.127 389 K HA -0.291 4.029 4.320 -0.000 0.000 0.208 389 K C 2.087 178.737 176.600 0.082 0.000 1.047 389 K CA 1.938 58.258 56.287 0.054 0.000 0.927 389 K CB -0.085 32.432 32.500 0.029 0.000 0.716 389 K HN 0.464 nan 8.250 nan 0.000 0.450 390 E N 0.788 121.029 120.200 0.069 0.000 2.086 390 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 390 E C 1.778 178.450 176.600 0.120 0.000 0.975 390 E CA 1.275 57.726 56.400 0.085 0.000 0.813 390 E CB 0.016 29.739 29.700 0.038 0.000 0.768 390 E HN 0.214 nan 8.360 nan 0.000 0.457 391 K N 0.624 121.084 120.400 0.099 0.000 2.032 391 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 391 K C 2.199 178.931 176.600 0.221 0.000 1.048 391 K CA 1.850 58.206 56.287 0.115 0.000 0.927 391 K CB -0.156 32.422 32.500 0.129 0.000 0.712 391 K HN -0.001 nan 8.250 nan 0.000 0.441 392 K N -0.420 120.113 120.400 0.223 0.000 2.032 392 K HA -0.273 4.047 4.320 -0.000 0.000 0.209 392 K C 2.171 178.903 176.600 0.220 0.000 1.048 392 K CA 2.100 58.528 56.287 0.235 0.000 0.927 392 K CB -0.260 32.315 32.500 0.125 0.000 0.712 392 K HN 0.290 nan 8.250 nan 0.000 0.441 393 H N 0.343 119.469 119.070 0.094 0.000 2.353 393 H HA -0.015 4.541 4.556 -0.000 0.000 0.300 393 H C 1.973 177.331 175.328 0.049 0.000 1.090 393 H CA 1.905 57.988 56.048 0.060 0.000 1.327 393 H CB 0.176 29.956 29.762 0.029 0.000 1.383 393 H HN 0.145 nan 8.280 nan 0.000 0.508 394 R N -0.930 119.593 120.500 0.038 0.000 2.091 394 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 394 R C 2.204 178.409 176.300 -0.159 0.000 1.136 394 R CA 1.668 57.712 56.100 -0.094 0.000 0.959 394 R CB -0.450 29.770 30.300 -0.133 0.000 0.856 394 R HN 0.333 nan 8.270 nan 0.000 0.437 395 F N 1.237 121.140 119.950 -0.078 0.000 2.069 395 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 395 F C 2.412 178.144 175.800 -0.113 0.000 1.113 395 F CA 1.585 59.538 58.000 -0.080 0.000 1.214 395 F CB -0.170 38.793 39.000 -0.062 0.000 0.978 395 F HN 0.085 nan 8.300 nan 0.000 0.474 396 E N -0.088 120.142 120.200 0.052 0.000 2.097 396 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 396 E C 1.747 178.269 176.600 -0.129 0.000 1.000 396 E CA 1.528 57.889 56.400 -0.066 0.000 0.804 396 E CB -0.334 29.284 29.700 -0.136 0.000 0.740 396 E HN 0.399 nan 8.360 nan 0.000 0.454 397 D N 0.576 120.838 120.400 -0.230 0.000 2.097 397 D HA -0.125 4.515 4.640 -0.000 0.000 0.195 397 D C 1.988 178.234 176.300 -0.089 0.000 0.989 397 D CA 1.385 55.282 54.000 -0.172 0.000 0.827 397 D CB -0.388 40.308 40.800 -0.173 0.000 0.966 397 D HN 0.171 nan 8.370 nan 0.000 0.456 398 A N 0.841 123.612 122.820 -0.082 0.000 1.892 398 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 398 A C 2.442 180.013 177.584 -0.023 0.000 1.188 398 A CA 1.305 53.309 52.037 -0.055 0.000 0.631 398 A CB -0.944 18.017 19.000 -0.066 0.000 0.822 398 A HN 0.238 nan 8.150 nan 0.000 0.447 399 L N -0.337 120.884 121.223 -0.004 0.000 1.994 399 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 399 L C 2.416 179.278 176.870 -0.013 0.000 1.071 399 L CA 1.542 56.383 54.840 0.000 0.000 0.745 399 L CB -0.802 41.260 42.059 0.006 0.000 0.892 399 L HN 0.433 nan 8.230 nan 0.000 0.431 400 N N 0.250 118.936 118.700 -0.023 0.000 2.192 400 N HA -0.222 4.518 4.740 -0.000 0.000 0.188 400 N C 1.773 177.273 175.510 -0.016 0.000 1.013 400 N CA 1.638 54.676 53.050 -0.020 0.000 0.863 400 N CB -0.267 38.204 38.487 -0.027 0.000 0.990 400 N HN 0.399 nan 8.380 nan 0.000 0.430 401 A N 1.081 123.888 122.820 -0.022 0.000 1.841 401 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 401 A C 2.451 180.027 177.584 -0.013 0.000 1.195 401 A CA 2.126 54.152 52.037 -0.019 0.000 0.611 401 A CB -1.232 17.752 19.000 -0.027 0.000 0.835 401 A HN 0.302 nan 8.150 nan 0.000 0.443 402 T N 0.286 114.833 114.554 -0.011 0.000 2.624 402 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 402 T C 2.087 176.785 174.700 -0.004 0.000 1.041 402 T CA 1.646 63.742 62.100 -0.006 0.000 1.159 402 T CB -0.357 68.510 68.868 -0.001 0.000 0.863 402 T HN 0.360 nan 8.240 nan 0.000 0.434 403 R N 1.492 121.989 120.500 -0.004 0.000 2.097 403 R HA -0.027 4.313 4.340 -0.000 0.000 0.236 403 R C 2.818 179.117 176.300 -0.002 0.000 1.135 403 R CA 1.795 57.893 56.100 -0.003 0.000 0.934 403 R CB -1.472 28.826 30.300 -0.003 0.000 0.846 403 R HN 0.512 nan 8.270 nan 0.000 0.431 404 A N 1.091 123.909 122.820 -0.003 0.000 1.972 404 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 404 A C 2.417 179.999 177.584 -0.003 0.000 1.169 404 A CA 1.911 53.946 52.037 -0.002 0.000 0.635 404 A CB -0.573 18.425 19.000 -0.004 0.000 0.810 404 A HN 0.397 nan 8.150 nan 0.000 0.446 405 A N -0.468 122.349 122.820 -0.004 0.000 1.877 405 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 405 A C 2.210 179.793 177.584 -0.001 0.000 1.186 405 A CA 1.875 53.909 52.037 -0.004 0.000 0.620 405 A CB -0.972 18.025 19.000 -0.005 0.000 0.822 405 A HN 0.437 nan 8.150 nan 0.000 0.443 406 V N 0.160 120.074 119.914 -0.000 0.000 2.407 406 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 406 V C 2.365 178.460 176.094 0.002 0.000 1.055 406 V CA 2.205 64.506 62.300 0.002 0.000 1.049 406 V CB -0.910 30.914 31.823 0.003 0.000 0.662 406 V HN 0.621 nan 8.190 nan 0.000 0.455 407 E N 0.245 120.446 120.200 0.001 0.000 2.001 407 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 407 E C 1.962 178.563 176.600 0.002 0.000 1.002 407 E CA 1.536 57.938 56.400 0.002 0.000 0.819 407 E CB -0.114 29.587 29.700 0.002 0.000 0.769 407 E HN 0.649 nan 8.360 nan 0.000 0.454 408 E N -0.267 119.934 120.200 0.002 0.000 2.481 408 E HA 0.210 4.560 4.350 -0.000 0.000 0.198 408 E C 0.443 177.044 176.600 0.002 0.000 1.027 408 E CA 0.172 56.573 56.400 0.002 0.000 0.900 408 E CB 1.351 31.052 29.700 0.002 0.000 0.993 408 E HN 0.273 nan 8.360 nan 0.000 0.482 409 G N 1.500 110.301 108.800 0.001 0.000 2.409 409 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.421 409 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.421 409 G C -1.313 173.586 174.900 -0.001 0.000 1.259 409 G CA -0.637 44.463 45.100 0.001 0.000 1.011 409 G HN 0.111 nan 8.290 nan 0.000 0.497 410 I N 0.115 120.685 120.570 -0.001 0.000 2.722 410 I HA 0.667 4.837 4.170 -0.000 0.000 0.295 410 I C 0.006 176.122 176.117 -0.002 0.000 1.161 410 I CA -1.079 60.219 61.300 -0.004 0.000 1.032 410 I CB 2.046 40.044 38.000 -0.004 0.000 1.244 410 I HN 1.197 nan 8.210 nan 0.000 0.421 411 V N 3.752 123.663 119.914 -0.005 0.000 3.141 411 V HA 0.746 4.866 4.120 -0.000 0.000 0.312 411 V C -2.769 173.320 176.094 -0.008 0.000 1.157 411 V CA -2.132 60.167 62.300 -0.003 0.000 1.041 411 V CB 1.509 33.331 31.823 -0.001 0.000 1.071 411 V HN 0.565 nan 8.190 nan 0.000 0.441 412 P HA 0.254 nan 4.420 nan 0.000 0.271 412 P C 0.249 177.535 177.300 -0.023 0.000 1.216 412 P CA 0.649 63.742 63.100 -0.013 0.000 0.771 412 P CB 1.076 32.774 31.700 -0.002 0.000 0.864 413 G N 1.601 110.378 108.800 -0.038 0.000 2.546 413 G HA2 0.382 4.342 3.960 -0.000 0.000 0.239 413 G HA3 0.382 4.342 3.960 -0.000 0.000 0.239 413 G C 0.817 175.682 174.900 -0.058 0.000 1.476 413 G CA -0.217 44.855 45.100 -0.047 0.000 1.064 413 G HN 0.724 nan 8.290 nan 0.000 0.561 414 G N -1.683 107.076 108.800 -0.068 0.000 2.296 414 G HA2 0.182 4.142 3.960 -0.000 0.000 0.282 414 G HA3 0.182 4.142 3.960 -0.000 0.000 0.282 414 G C 1.569 176.442 174.900 -0.046 0.000 1.014 414 G CA 1.385 46.441 45.100 -0.073 0.000 0.812 414 G HN 2.418 nan 8.290 nan 0.000 0.508 415 G N -2.739 106.042 108.800 -0.032 0.000 2.220 415 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.269 415 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.269 415 G C 1.510 176.402 174.900 -0.014 0.000 0.977 415 G CA 1.269 46.358 45.100 -0.018 0.000 0.634 415 G HN 1.458 nan 8.290 nan 0.000 0.539 416 V N 0.518 120.418 119.914 -0.023 0.000 2.282 416 V HA -0.246 3.873 4.120 -0.000 0.000 0.249 416 V C 2.923 179.018 176.094 0.003 0.000 1.057 416 V CA 3.320 65.612 62.300 -0.014 0.000 1.032 416 V CB -1.008 30.799 31.823 -0.027 0.000 0.645 416 V HN 0.684 nan 8.190 nan 0.000 0.447 417 T N -0.416 114.138 114.554 -0.001 0.000 2.720 417 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 417 T C 1.711 176.416 174.700 0.009 0.000 1.037 417 T CA 1.909 64.013 62.100 0.006 0.000 1.144 417 T CB -0.250 68.619 68.868 0.001 0.000 0.864 417 T HN 0.329 nan 8.240 nan 0.000 0.444 418 L N 0.483 121.709 121.223 0.005 0.000 2.141 418 L HA 0.150 4.490 4.340 -0.000 0.000 0.209 418 L C 2.506 179.383 176.870 0.012 0.000 1.094 418 L CA 0.989 55.833 54.840 0.007 0.000 0.763 418 L CB -0.578 41.483 42.059 0.004 0.000 0.908 418 L HN 0.276 nan 8.230 nan 0.000 0.437 419 L N -0.880 120.351 121.223 0.014 0.000 2.046 419 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 419 L C 2.658 179.544 176.870 0.026 0.000 1.077 419 L CA 0.831 55.683 54.840 0.021 0.000 0.747 419 L CB -0.455 41.619 42.059 0.025 0.000 0.896 419 L HN 0.232 nan 8.230 nan 0.000 0.432 420 R N 0.174 120.691 120.500 0.028 0.000 2.193 420 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 420 R C 2.110 178.424 176.300 0.024 0.000 1.110 420 R CA 1.130 57.249 56.100 0.031 0.000 0.988 420 R CB -0.846 29.474 30.300 0.033 0.000 0.871 420 R HN 0.334 nan 8.270 nan 0.000 0.458 421 A N 0.918 123.750 122.820 0.019 0.000 2.066 421 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 421 A C 2.185 179.779 177.584 0.015 0.000 1.157 421 A CA 0.538 52.584 52.037 0.015 0.000 0.670 421 A CB -0.353 18.654 19.000 0.012 0.000 0.804 421 A HN 0.162 nan 8.150 nan 0.000 0.453 422 I N 0.846 121.426 120.570 0.017 0.000 2.127 422 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 422 I C 2.919 179.046 176.117 0.016 0.000 1.075 422 I CA 1.792 63.102 61.300 0.017 0.000 1.334 422 I CB -0.509 37.503 38.000 0.019 0.000 1.040 422 I HN 0.504 nan 8.210 nan 0.000 0.405 423 S N 1.399 117.110 115.700 0.019 0.000 2.402 423 S HA -0.250 4.220 4.470 -0.000 0.000 0.233 423 S C 2.147 176.755 174.600 0.014 0.000 1.030 423 S CA 1.163 59.373 58.200 0.017 0.000 1.003 423 S CB -0.744 62.468 63.200 0.020 0.000 0.813 423 S HN 0.474 nan 8.310 nan 0.000 0.477 424 A N 1.551 124.379 122.820 0.014 0.000 1.872 424 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 424 A C 2.441 180.031 177.584 0.010 0.000 1.187 424 A CA 1.476 53.520 52.037 0.012 0.000 0.614 424 A CB -1.024 17.983 19.000 0.011 0.000 0.826 424 A HN 0.483 nan 8.150 nan 0.000 0.442 425 V N 0.065 119.985 119.914 0.011 0.000 2.343 425 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 425 V C 2.495 178.594 176.094 0.009 0.000 1.051 425 V CA 2.329 64.635 62.300 0.009 0.000 1.036 425 V CB -0.888 30.941 31.823 0.010 0.000 0.654 425 V HN 0.654 nan 8.190 nan 0.000 0.451 426 E N 0.838 121.044 120.200 0.010 0.000 2.033 426 E HA -0.279 4.071 4.350 -0.000 0.000 0.199 426 E C 2.151 178.756 176.600 0.009 0.000 1.011 426 E CA 1.899 58.305 56.400 0.010 0.000 0.815 426 E CB -0.349 29.358 29.700 0.011 0.000 0.755 426 E HN 0.555 nan 8.360 nan 0.000 0.451 427 E N -0.328 119.878 120.200 0.009 0.000 2.130 427 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 427 E C 1.934 178.538 176.600 0.007 0.000 0.998 427 E CA 1.095 57.499 56.400 0.008 0.000 0.806 427 E CB -0.480 29.225 29.700 0.008 0.000 0.738 427 E HN 0.321 nan 8.360 nan 0.000 0.459 428 L N 0.321 121.549 121.223 0.007 0.000 2.017 428 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 428 L C 2.087 178.960 176.870 0.006 0.000 1.073 428 L CA 1.677 56.521 54.840 0.007 0.000 0.745 428 L CB -0.625 41.438 42.059 0.007 0.000 0.894 428 L HN 0.241 nan 8.230 nan 0.000 0.432 429 I N -0.171 120.403 120.570 0.007 0.000 2.194 429 I HA -0.374 3.796 4.170 -0.000 0.000 0.246 429 I C 2.381 178.502 176.117 0.006 0.000 1.093 429 I CA 1.716 63.020 61.300 0.006 0.000 1.355 429 I CB -0.533 37.471 38.000 0.007 0.000 1.046 429 I HN 0.303 nan 8.210 nan 0.000 0.413 430 K N 0.515 120.919 120.400 0.006 0.000 2.286 430 K HA -0.233 4.087 4.320 -0.000 0.000 0.203 430 K C 1.886 178.489 176.600 0.005 0.000 1.045 430 K CA 1.139 57.430 56.287 0.005 0.000 0.935 430 K CB -0.141 32.362 32.500 0.005 0.000 0.737 430 K HN 0.055 nan 8.250 nan 0.000 0.460 431 K N 0.627 121.030 120.400 0.005 0.000 2.374 431 K HA 0.184 4.504 4.320 -0.000 0.000 0.196 431 K C -0.079 176.523 176.600 0.005 0.000 1.023 431 K CA 0.116 56.406 56.287 0.005 0.000 1.103 431 K CB 0.400 32.903 32.500 0.005 0.000 0.848 431 K HN -0.046 nan 8.250 nan 0.000 0.528 432 L N 0.321 121.547 121.223 0.005 0.000 2.332 432 L HA 0.460 4.800 4.340 -0.000 0.000 0.269 432 L C 0.126 176.999 176.870 0.005 0.000 1.016 432 L CA -0.756 54.087 54.840 0.005 0.000 0.809 432 L CB 1.825 43.888 42.059 0.005 0.000 1.280 432 L HN 0.051 nan 8.230 nan 0.000 0.447 433 E N -0.641 119.562 120.200 0.005 0.000 2.447 433 E HA 0.516 4.866 4.350 -0.000 0.000 0.258 433 E C -0.056 176.546 176.600 0.005 0.000 0.916 433 E CA -0.386 56.017 56.400 0.005 0.000 0.846 433 E CB 1.426 31.129 29.700 0.004 0.000 1.517 433 E HN 0.717 nan 8.360 nan 0.000 0.418 434 G N 1.119 109.922 108.800 0.005 0.000 2.551 434 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.383 434 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.383 434 G C 0.405 175.308 174.900 0.005 0.000 1.370 434 G CA 0.770 45.873 45.100 0.005 0.000 0.940 434 G HN 0.693 nan 8.290 nan 0.000 0.524 435 D N 0.082 120.485 120.400 0.006 0.000 2.218 435 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 435 D C 2.129 178.433 176.300 0.006 0.000 0.976 435 D CA 1.310 55.314 54.000 0.006 0.000 0.853 435 D CB -0.162 40.642 40.800 0.007 0.000 0.939 435 D HN 0.667 nan 8.370 nan 0.000 0.481 436 E N 0.559 120.762 120.200 0.006 0.000 2.118 436 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 436 E C 2.015 178.618 176.600 0.006 0.000 0.992 436 E CA 0.967 57.370 56.400 0.006 0.000 0.804 436 E CB 0.087 29.790 29.700 0.005 0.000 0.741 436 E HN 0.177 nan 8.360 nan 0.000 0.458 437 A N 0.003 122.826 122.820 0.006 0.000 1.930 437 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 437 A C 2.310 179.897 177.584 0.006 0.000 1.175 437 A CA 1.756 53.797 52.037 0.006 0.000 0.627 437 A CB -0.686 18.317 19.000 0.005 0.000 0.815 437 A HN 0.256 nan 8.150 nan 0.000 0.443 438 T N -0.094 114.463 114.554 0.006 0.000 2.708 438 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 438 T C 2.013 176.717 174.700 0.006 0.000 1.037 438 T CA 1.466 63.570 62.100 0.006 0.000 1.146 438 T CB -0.716 68.156 68.868 0.006 0.000 0.865 438 T HN 0.581 nan 8.240 nan 0.000 0.435 439 G N 1.431 110.235 108.800 0.006 0.000 2.491 439 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 439 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 439 G C 1.864 176.768 174.900 0.006 0.000 1.180 439 G CA 1.149 46.253 45.100 0.006 0.000 0.774 439 G HN 0.592 nan 8.290 nan 0.000 0.562 440 A N 0.907 123.731 122.820 0.006 0.000 1.892 440 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 440 A C 2.313 179.902 177.584 0.007 0.000 1.188 440 A CA 2.222 54.263 52.037 0.007 0.000 0.631 440 A CB -0.479 18.525 19.000 0.007 0.000 0.822 440 A HN 0.422 nan 8.150 nan 0.000 0.447 441 K N -0.492 119.912 120.400 0.007 0.000 2.103 441 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 441 K C 1.793 178.397 176.600 0.007 0.000 1.048 441 K CA 1.514 57.805 56.287 0.007 0.000 0.930 441 K CB -0.445 32.059 32.500 0.007 0.000 0.716 441 K HN 0.588 nan 8.250 nan 0.000 0.444 442 I N 0.661 121.235 120.570 0.007 0.000 2.163 442 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 442 I C 2.244 178.365 176.117 0.007 0.000 1.085 442 I CA 1.230 62.534 61.300 0.007 0.000 1.347 442 I CB -0.420 37.583 38.000 0.006 0.000 1.044 442 I HN -0.051 nan 8.210 nan 0.000 0.408 443 V N 0.780 120.698 119.914 0.007 0.000 2.295 443 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 443 V C 2.634 178.732 176.094 0.008 0.000 1.049 443 V CA 1.977 64.282 62.300 0.007 0.000 1.024 443 V CB -0.841 30.987 31.823 0.007 0.000 0.648 443 V HN 0.425 nan 8.190 nan 0.000 0.447 444 R N 0.189 120.694 120.500 0.008 0.000 2.119 444 R HA -0.287 4.053 4.340 -0.000 0.000 0.246 444 R C 2.434 178.740 176.300 0.010 0.000 1.146 444 R CA 2.344 58.449 56.100 0.009 0.000 0.962 444 R CB -0.226 30.080 30.300 0.010 0.000 0.863 444 R HN 0.404 nan 8.270 nan 0.000 0.442 445 R N 0.400 120.905 120.500 0.009 0.000 2.057 445 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 445 R C 2.047 178.352 176.300 0.008 0.000 1.136 445 R CA 1.896 58.001 56.100 0.009 0.000 0.952 445 R CB -0.916 29.389 30.300 0.008 0.000 0.848 445 R HN 0.284 nan 8.270 nan 0.000 0.430 446 A N 1.173 123.997 122.820 0.007 0.000 1.927 446 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 446 A C 2.276 179.864 177.584 0.007 0.000 1.185 446 A CA 1.906 53.947 52.037 0.007 0.000 0.639 446 A CB -0.974 18.029 19.000 0.006 0.000 0.820 446 A HN 0.409 nan 8.150 nan 0.000 0.451 447 L N -0.755 120.473 121.223 0.008 0.000 2.270 447 L HA -0.267 4.073 4.340 -0.000 0.000 0.217 447 L C 2.367 179.242 176.870 0.008 0.000 1.107 447 L CA 1.699 56.544 54.840 0.008 0.000 0.772 447 L CB -0.541 41.524 42.059 0.010 0.000 0.902 447 L HN 0.546 nan 8.230 nan 0.000 0.439 448 E N -1.040 119.166 120.200 0.009 0.000 2.250 448 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 448 E C 1.921 178.525 176.600 0.007 0.000 0.986 448 E CA -0.000 56.405 56.400 0.009 0.000 0.849 448 E CB 0.109 29.815 29.700 0.010 0.000 0.797 448 E HN 0.319 nan 8.360 nan 0.000 0.482 449 E N 0.750 120.954 120.200 0.007 0.000 2.065 449 E HA -0.175 4.175 4.350 -0.000 0.000 0.201 449 E C -0.679 175.924 176.600 0.006 0.000 1.016 449 E CA 1.505 57.909 56.400 0.006 0.000 0.818 449 E CB -1.486 28.218 29.700 0.006 0.000 0.749 449 E HN 0.232 nan 8.360 nan 0.000 0.453 450 P HA -0.156 nan 4.420 nan 0.000 0.214 450 P C 1.285 178.585 177.300 0.001 0.000 1.163 450 P CA 2.385 65.486 63.100 0.001 0.000 0.889 450 P CB -0.205 31.494 31.700 -0.001 0.000 0.790 451 A N -0.194 122.626 122.820 -0.000 0.000 1.865 451 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 451 A C 2.309 179.896 177.584 0.006 0.000 1.191 451 A CA 1.781 53.817 52.037 -0.001 0.000 0.623 451 A CB -1.240 17.759 19.000 -0.003 0.000 0.826 451 A HN 0.016 nan 8.150 nan 0.000 0.444 452 R N -1.185 119.318 120.500 0.006 0.000 2.097 452 R HA -0.172 4.168 4.340 -0.000 0.000 0.236 452 R C 2.491 178.804 176.300 0.022 0.000 1.135 452 R CA 1.704 57.811 56.100 0.011 0.000 0.934 452 R CB -0.439 29.867 30.300 0.010 0.000 0.846 452 R HN 0.533 nan 8.270 nan 0.000 0.431 453 Q N 0.476 120.288 119.800 0.019 0.000 2.135 453 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 453 Q C 2.173 178.192 176.000 0.032 0.000 0.981 453 Q CA 1.367 57.184 55.803 0.024 0.000 0.856 453 Q CB -0.247 28.500 28.738 0.015 0.000 0.902 453 Q HN 0.447 nan 8.270 nan 0.000 0.425 454 I N 0.189 120.775 120.570 0.026 0.000 2.113 454 I HA -0.307 3.863 4.170 -0.000 0.000 0.238 454 I C 2.365 178.521 176.117 0.066 0.000 1.070 454 I CA 1.199 62.515 61.300 0.027 0.000 1.332 454 I CB -0.586 37.417 38.000 0.005 0.000 1.044 454 I HN 0.087 nan 8.210 nan 0.000 0.402 455 A N 0.340 123.212 122.820 0.087 0.000 1.892 455 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 455 A C 2.181 179.886 177.584 0.201 0.000 1.188 455 A CA 2.279 54.407 52.037 0.152 0.000 0.631 455 A CB -0.723 18.303 19.000 0.043 0.000 0.822 455 A HN 0.431 nan 8.150 nan 0.000 0.447 456 E N 0.575 120.846 120.200 0.118 0.000 2.033 456 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 456 E C 1.743 178.405 176.600 0.103 0.000 1.011 456 E CA 2.057 58.516 56.400 0.100 0.000 0.815 456 E CB -0.552 29.181 29.700 0.054 0.000 0.755 456 E HN 0.768 nan 8.360 nan 0.000 0.451 457 N N -0.651 118.097 118.700 0.081 0.000 2.430 457 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 457 N C 1.342 176.909 175.510 0.095 0.000 1.032 457 N CA 0.508 53.597 53.050 0.066 0.000 0.893 457 N CB -0.074 38.439 38.487 0.043 0.000 0.957 457 N HN 0.201 nan 8.380 nan 0.000 0.442 458 A N 0.471 123.392 122.820 0.168 0.000 2.072 458 A HA 0.298 4.618 4.320 -0.000 0.000 0.216 458 A C 1.507 179.269 177.584 0.297 0.000 1.156 458 A CA 0.949 53.141 52.037 0.259 0.000 0.701 458 A CB 0.082 19.281 19.000 0.331 0.000 0.816 458 A HN 0.300 nan 8.150 nan 0.000 0.458 459 G N -2.400 106.527 108.800 0.213 0.000 2.181 459 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.152 459 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.152 459 G C -0.349 174.413 174.900 -0.230 0.000 1.026 459 G CA -0.030 45.055 45.100 -0.025 0.000 0.699 459 G HN 0.373 nan 8.290 nan 0.000 0.497 460 Y N -0.649 119.670 120.300 0.031 0.000 2.662 460 Y HA 0.714 5.264 4.550 -0.000 0.000 0.335 460 Y C 0.186 176.066 175.900 -0.034 0.000 1.066 460 Y CA -1.427 56.669 58.100 -0.007 0.000 1.116 460 Y CB 0.949 39.383 38.460 -0.043 0.000 1.308 460 Y HN -0.044 nan 8.280 nan 0.000 0.502 461 E N 0.798 121.061 120.200 0.106 0.000 2.044 461 E HA 0.192 4.542 4.350 -0.000 0.000 0.282 461 E C 0.892 177.502 176.600 0.017 0.000 1.031 461 E CA -0.015 56.409 56.400 0.040 0.000 0.824 461 E CB 1.044 30.755 29.700 0.018 0.000 1.076 461 E HN 0.923 nan 8.360 nan 0.000 0.395 462 G N 3.032 111.845 108.800 0.021 0.000 2.719 462 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.219 462 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.219 462 G C 1.549 176.447 174.900 -0.004 0.000 1.234 462 G CA 1.250 46.354 45.100 0.006 0.000 0.788 462 G HN 0.501 nan 8.290 nan 0.000 0.619 463 S N -0.069 115.633 115.700 0.003 0.000 2.374 463 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 463 S C 2.459 177.061 174.600 0.003 0.000 1.037 463 S CA 1.297 59.500 58.200 0.004 0.000 1.024 463 S CB -0.487 62.716 63.200 0.005 0.000 0.861 463 S HN 0.215 nan 8.310 nan 0.000 0.456 464 V N 2.265 122.178 119.914 -0.001 0.000 2.220 464 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 464 V C 2.143 178.242 176.094 0.008 0.000 1.049 464 V CA 1.966 64.266 62.300 -0.000 0.000 1.003 464 V CB -0.694 31.130 31.823 0.002 0.000 0.634 464 V HN 0.442 nan 8.190 nan 0.000 0.444 465 I N -0.299 120.255 120.570 -0.027 0.000 2.151 465 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 465 I C 2.367 178.519 176.117 0.058 0.000 1.080 465 I CA 1.517 62.804 61.300 -0.022 0.000 1.339 465 I CB -0.514 37.254 38.000 -0.387 0.000 1.039 465 I HN 0.164 nan 8.210 nan 0.000 0.409 466 V N 0.301 120.222 119.914 0.011 0.000 2.469 466 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 466 V C 2.500 178.628 176.094 0.058 0.000 1.064 466 V CA 1.605 63.924 62.300 0.032 0.000 1.066 466 V CB -0.665 31.167 31.823 0.016 0.000 0.667 466 V HN 0.462 nan 8.190 nan 0.000 0.461 467 Q N -0.377 119.452 119.800 0.047 0.000 2.049 467 Q HA -0.214 4.126 4.340 -0.000 0.000 0.198 467 Q C 2.267 178.301 176.000 0.057 0.000 0.971 467 Q CA 1.751 57.578 55.803 0.041 0.000 0.833 467 Q CB -0.446 28.302 28.738 0.017 0.000 0.896 467 Q HN 0.731 nan 8.270 nan 0.000 0.434 468 Q N 0.080 119.912 119.800 0.054 0.000 2.170 468 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 468 Q C 2.072 178.186 176.000 0.190 0.000 0.976 468 Q CA 0.871 56.680 55.803 0.010 0.000 0.858 468 Q CB -0.003 28.555 28.738 -0.298 0.000 0.907 468 Q HN 0.352 nan 8.270 nan 0.000 0.433 469 I N 0.132 120.866 120.570 0.273 0.000 2.133 469 I HA -0.302 3.868 4.170 -0.000 0.000 0.238 469 I C 2.034 178.285 176.117 0.223 0.000 1.074 469 I CA 0.985 62.441 61.300 0.260 0.000 1.342 469 I CB -0.217 37.865 38.000 0.137 0.000 1.053 469 I HN 0.248 nan 8.210 nan 0.000 0.404 470 L N 0.556 121.861 121.223 0.137 0.000 2.353 470 L HA -0.181 4.159 4.340 -0.000 0.000 0.220 470 L C 2.609 179.535 176.870 0.094 0.000 1.133 470 L CA 0.768 55.667 54.840 0.100 0.000 0.798 470 L CB -0.617 41.480 42.059 0.064 0.000 0.922 470 L HN 0.257 nan 8.230 nan 0.000 0.445 471 A N -0.158 122.726 122.820 0.106 0.000 1.825 471 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 471 A C 1.341 178.961 177.584 0.060 0.000 1.206 471 A CA 0.635 52.712 52.037 0.066 0.000 0.609 471 A CB -0.416 18.610 19.000 0.044 0.000 0.851 471 A HN 0.331 nan 8.150 nan 0.000 0.445 472 E N 1.131 121.386 120.200 0.091 0.000 2.081 472 E HA 0.166 4.516 4.350 -0.000 0.000 0.270 472 E C 0.086 176.720 176.600 0.056 0.000 1.180 472 E CA 0.429 56.822 56.400 -0.012 0.000 0.926 472 E CB 0.098 29.626 29.700 -0.287 0.000 1.035 472 E HN 0.480 nan 8.360 nan 0.000 0.418 473 T N 1.010 115.579 114.554 0.025 0.000 3.243 473 T HA 0.211 4.561 4.350 -0.000 0.000 0.264 473 T C 0.772 175.482 174.700 0.016 0.000 1.000 473 T CA -0.442 61.681 62.100 0.038 0.000 0.901 473 T CB 0.235 69.122 68.868 0.031 0.000 1.083 473 T HN 0.271 nan 8.240 nan 0.000 0.559 474 K N 1.507 121.903 120.400 -0.008 0.000 2.029 474 K HA 0.102 4.422 4.320 -0.000 0.000 0.205 474 K C 0.719 177.323 176.600 0.006 0.000 1.042 474 K CA 0.531 56.809 56.287 -0.015 0.000 0.949 474 K CB -0.040 32.433 32.500 -0.045 0.000 0.740 474 K HN 0.309 nan 8.250 nan 0.000 0.442 475 N N 1.507 120.217 118.700 0.016 0.000 2.511 475 N HA 0.110 4.850 4.740 -0.000 0.000 0.249 475 N C -2.110 173.461 175.510 0.102 0.000 0.971 475 N CA -2.264 50.815 53.050 0.049 0.000 0.938 475 N CB 1.408 39.921 38.487 0.044 0.000 1.131 475 N HN -0.180 nan 8.380 nan 0.000 0.505 476 P HA -0.180 nan 4.420 nan 0.000 0.220 476 P C 0.468 177.831 177.300 0.104 0.000 1.144 476 P CA 1.026 64.181 63.100 0.091 0.000 0.800 476 P CB 0.329 32.063 31.700 0.057 0.000 0.772 477 R N -1.878 118.684 120.500 0.103 0.000 2.339 477 R HA -0.036 4.304 4.340 -0.000 0.000 0.199 477 R C 0.653 177.039 176.300 0.144 0.000 1.018 477 R CA -0.093 56.062 56.100 0.092 0.000 1.036 477 R CB -0.638 29.705 30.300 0.072 0.000 0.899 477 R HN 0.227 nan 8.270 nan 0.000 0.473 478 Y N 0.875 121.205 120.300 0.050 0.000 2.436 478 Y HA 0.327 4.877 4.550 -0.000 0.000 0.336 478 Y C 0.465 176.427 175.900 0.104 0.000 1.049 478 Y CA -0.091 58.060 58.100 0.085 0.000 1.294 478 Y CB 0.572 39.092 38.460 0.100 0.000 1.179 478 Y HN 0.039 nan 8.280 nan 0.000 0.520 479 G N 4.597 113.170 108.800 -0.379 0.000 2.721 479 G HA2 0.371 4.331 3.960 -0.000 0.000 0.296 479 G HA3 0.371 4.331 3.960 -0.000 0.000 0.296 479 G C -2.276 172.335 174.900 -0.480 0.000 1.383 479 G CA -0.918 43.970 45.100 -0.353 0.000 0.788 479 G HN 0.461 nan 8.290 nan 0.000 0.500 480 F N 1.514 121.063 119.950 -0.669 0.000 2.420 480 F HA 0.551 5.078 4.527 0.000 0.000 0.342 480 F C 0.093 175.568 175.800 -0.541 0.000 1.113 480 F CA -1.683 55.765 58.000 -0.920 0.000 1.059 480 F CB 1.795 40.141 39.000 -1.091 0.000 1.128 480 F HN 0.306 nan 8.300 nan 0.000 0.475 481 N N 5.118 123.122 118.700 -1.160 0.000 2.719 481 N HA 0.165 4.905 4.740 -0.000 0.000 0.243 481 N C 0.679 175.451 175.510 -1.229 0.000 1.104 481 N CA 0.354 52.885 53.050 -0.866 0.000 0.981 481 N CB 0.901 39.066 38.487 -0.537 0.000 1.290 481 N HN 0.802 nan 8.380 nan 0.000 0.513 482 A N 2.544 124.733 122.820 -1.052 0.000 2.245 482 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 482 A C 1.831 179.159 177.584 -0.426 0.000 1.171 482 A CA 1.718 53.299 52.037 -0.761 0.000 0.688 482 A CB -0.229 18.609 19.000 -0.271 0.000 0.781 482 A HN 0.656 nan 8.150 nan 0.000 0.479 483 A N -1.165 121.427 122.820 -0.380 0.000 2.014 483 A HA 0.156 4.476 4.320 -0.000 0.000 0.210 483 A C 2.176 179.663 177.584 -0.162 0.000 1.188 483 A CA 1.695 53.612 52.037 -0.199 0.000 0.731 483 A CB -0.378 18.527 19.000 -0.159 0.000 0.858 483 A HN 0.713 nan 8.150 nan 0.000 0.464 484 T N -5.341 109.068 114.554 -0.242 0.000 2.990 484 T HA 0.412 4.762 4.350 -0.000 0.000 0.249 484 T C 1.291 175.923 174.700 -0.113 0.000 1.039 484 T CA 1.164 63.178 62.100 -0.142 0.000 1.036 484 T CB 0.227 69.013 68.868 -0.136 0.000 0.994 484 T HN 1.673 nan 8.240 nan 0.000 0.489 485 G N 1.358 109.964 108.800 -0.324 0.000 2.171 485 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.238 485 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.238 485 G C -0.458 174.471 174.900 0.049 0.000 1.039 485 G CA -0.024 44.992 45.100 -0.139 0.000 0.759 485 G HN 0.687 nan 8.290 nan 0.000 0.501 486 E N -1.060 119.010 120.200 -0.216 0.000 2.314 486 E HA 0.558 4.908 4.350 -0.000 0.000 0.272 486 E C -0.773 175.809 176.600 -0.029 0.000 0.884 486 E CA -1.051 55.387 56.400 0.063 0.000 0.753 486 E CB 1.423 31.154 29.700 0.052 0.000 1.213 486 E HN 0.050 nan 8.360 nan 0.000 0.432 487 F N 1.847 121.876 119.950 0.131 0.000 2.443 487 F HA 0.276 4.803 4.527 0.000 0.000 0.353 487 F C 0.692 176.534 175.800 0.069 0.000 1.101 487 F CA -0.225 57.803 58.000 0.046 0.000 1.226 487 F CB 0.827 39.882 39.000 0.091 0.000 1.140 487 F HN 0.208 nan 8.300 nan 0.000 0.557 488 V N -0.782 119.179 119.914 0.078 0.000 3.130 488 V HA 0.478 4.598 4.120 -0.000 0.000 0.308 488 V C -1.189 174.991 176.094 0.142 0.000 1.413 488 V CA -1.127 61.255 62.300 0.137 0.000 1.053 488 V CB 1.810 33.644 31.823 0.018 0.000 1.075 488 V HN 0.557 nan 8.190 nan 0.000 0.465 489 D N 1.393 121.871 120.400 0.130 0.000 2.393 489 D HA 0.219 4.859 4.640 -0.000 0.000 0.232 489 D C 1.200 177.519 176.300 0.033 0.000 1.192 489 D CA -0.414 53.654 54.000 0.113 0.000 0.882 489 D CB 1.363 42.219 40.800 0.094 0.000 1.038 489 D HN 0.527 nan 8.370 nan 0.000 0.499 490 M N 3.050 122.652 119.600 0.004 0.000 2.089 490 M HA -0.196 4.284 4.480 -0.000 0.000 0.257 490 M C 2.048 178.333 176.300 -0.024 0.000 1.071 490 M CA 1.177 56.455 55.300 -0.037 0.000 1.096 490 M CB -0.990 31.582 32.600 -0.047 0.000 1.330 490 M HN 0.315 nan 8.290 nan 0.000 0.403 491 V N 0.024 119.937 119.914 -0.003 0.000 2.261 491 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 491 V C 2.405 178.497 176.094 -0.003 0.000 1.047 491 V CA 2.180 64.478 62.300 -0.003 0.000 1.015 491 V CB -0.849 30.979 31.823 0.008 0.000 0.642 491 V HN 0.529 nan 8.190 nan 0.000 0.446 492 E N 0.261 120.465 120.200 0.007 0.000 2.160 492 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 492 E C 2.027 178.624 176.600 -0.005 0.000 0.991 492 E CA 1.299 57.702 56.400 0.006 0.000 0.810 492 E CB -0.165 29.546 29.700 0.018 0.000 0.742 492 E HN 0.585 nan 8.360 nan 0.000 0.466 493 A N -0.009 122.803 122.820 -0.015 0.000 2.167 493 A HA 0.177 4.497 4.320 -0.000 0.000 0.214 493 A C 1.727 179.287 177.584 -0.041 0.000 1.151 493 A CA 1.012 53.029 52.037 -0.033 0.000 0.735 493 A CB -0.343 18.624 19.000 -0.055 0.000 0.802 493 A HN 0.475 nan 8.150 nan 0.000 0.467 494 G N -0.969 107.811 108.800 -0.034 0.000 2.137 494 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.237 494 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.237 494 G C 0.065 174.937 174.900 -0.047 0.000 1.002 494 G CA 0.210 45.289 45.100 -0.035 0.000 0.702 494 G HN 0.521 nan 8.290 nan 0.000 0.515 495 I N 1.526 122.063 120.570 -0.056 0.000 2.317 495 I HA 0.419 4.589 4.170 -0.000 0.000 0.286 495 I C 0.644 176.729 176.117 -0.053 0.000 1.119 495 I CA -0.885 60.374 61.300 -0.069 0.000 1.228 495 I CB 0.654 38.595 38.000 -0.100 0.000 1.476 495 I HN 0.157 nan 8.210 nan 0.000 0.514 496 V N 0.602 120.491 119.914 -0.042 0.000 2.960 496 V HA 0.698 4.818 4.120 -0.000 0.000 0.315 496 V C -0.872 175.204 176.094 -0.030 0.000 1.087 496 V CA -0.666 61.615 62.300 -0.031 0.000 0.982 496 V CB 2.689 34.499 31.823 -0.022 0.000 1.039 496 V HN 0.234 nan 8.190 nan 0.000 0.437 497 D N 1.726 122.112 120.400 -0.023 0.000 2.738 497 D HA 0.488 5.128 4.640 -0.000 0.000 0.237 497 D C -3.017 173.274 176.300 -0.014 0.000 1.123 497 D CA -1.321 52.667 54.000 -0.021 0.000 0.856 497 D CB 2.646 43.434 40.800 -0.021 0.000 1.552 497 D HN 0.487 nan 8.370 nan 0.000 0.480 498 P HA 0.038 nan 4.420 nan 0.000 0.264 498 P C 0.497 177.793 177.300 -0.006 0.000 1.229 498 P CA -0.053 63.042 63.100 -0.009 0.000 0.780 498 P CB 0.653 32.348 31.700 -0.009 0.000 0.808 499 A N 4.913 127.731 122.820 -0.004 0.000 2.042 499 A HA -0.253 4.067 4.320 -0.000 0.000 0.222 499 A C 2.221 179.805 177.584 -0.001 0.000 1.167 499 A CA 1.727 53.763 52.037 -0.002 0.000 0.649 499 A CB -0.953 18.047 19.000 0.000 0.000 0.809 499 A HN 0.522 nan 8.150 nan 0.000 0.457 500 K N -0.064 120.335 120.400 -0.001 0.000 2.001 500 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 500 K C 2.040 178.640 176.600 0.000 0.000 1.048 500 K CA 1.840 58.127 56.287 0.000 0.000 0.932 500 K CB -0.445 32.056 32.500 0.000 0.000 0.715 500 K HN 0.460 nan 8.250 nan 0.000 0.437 501 V N -0.751 119.162 119.914 -0.002 0.000 2.255 501 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 501 V C 2.027 178.120 176.094 -0.001 0.000 1.051 501 V CA 2.368 64.667 62.300 -0.002 0.000 1.018 501 V CB -1.437 30.383 31.823 -0.004 0.000 0.641 501 V HN 0.274 nan 8.190 nan 0.000 0.445 502 T N 0.495 115.048 114.554 -0.002 0.000 2.570 502 T HA -0.291 4.059 4.350 -0.000 0.000 0.266 502 T C 2.015 176.716 174.700 0.001 0.000 1.071 502 T CA 2.756 64.856 62.100 -0.002 0.000 1.172 502 T CB -0.491 68.375 68.868 -0.002 0.000 0.864 502 T HN 0.621 nan 8.240 nan 0.000 0.421 503 R N 0.661 121.162 120.500 0.001 0.000 2.119 503 R HA -0.150 4.190 4.340 -0.000 0.000 0.246 503 R C 2.566 178.868 176.300 0.003 0.000 1.146 503 R CA 2.013 58.115 56.100 0.003 0.000 0.962 503 R CB -0.437 29.865 30.300 0.003 0.000 0.863 503 R HN 0.296 nan 8.270 nan 0.000 0.442 504 S N 0.497 116.199 115.700 0.003 0.000 2.344 504 S HA -0.138 4.332 4.470 -0.000 0.000 0.217 504 S C 2.078 176.680 174.600 0.004 0.000 1.033 504 S CA 1.173 59.376 58.200 0.004 0.000 1.017 504 S CB -0.513 62.689 63.200 0.004 0.000 0.941 504 S HN 0.596 nan 8.310 nan 0.000 0.430 505 A N 1.810 124.632 122.820 0.003 0.000 1.896 505 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 505 A C 2.179 179.765 177.584 0.003 0.000 1.206 505 A CA 2.088 54.127 52.037 0.003 0.000 0.647 505 A CB -1.069 17.932 19.000 0.002 0.000 0.828 505 A HN 0.434 nan 8.150 nan 0.000 0.455 506 L N -0.250 120.975 121.223 0.003 0.000 2.017 506 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 506 L C 2.435 179.307 176.870 0.004 0.000 1.073 506 L CA 2.572 57.414 54.840 0.004 0.000 0.745 506 L CB -1.031 41.030 42.059 0.004 0.000 0.894 506 L HN 0.556 nan 8.230 nan 0.000 0.432 507 Q N -0.595 119.208 119.800 0.004 0.000 2.124 507 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 507 Q C 1.937 177.939 176.000 0.004 0.000 0.977 507 Q CA 1.584 57.389 55.803 0.004 0.000 0.850 507 Q CB -0.249 28.491 28.738 0.004 0.000 0.901 507 Q HN 0.615 nan 8.270 nan 0.000 0.429 508 N N 0.528 119.230 118.700 0.004 0.000 2.135 508 N HA -0.078 4.662 4.740 -0.000 0.000 0.186 508 N C 1.713 177.225 175.510 0.003 0.000 1.027 508 N CA 1.231 54.283 53.050 0.004 0.000 0.849 508 N CB -0.334 38.155 38.487 0.004 0.000 1.002 508 N HN 0.202 nan 8.380 nan 0.000 0.425 509 A N 1.361 124.183 122.820 0.003 0.000 1.865 509 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 509 A C 2.324 179.910 177.584 0.003 0.000 1.191 509 A CA 2.238 54.277 52.037 0.003 0.000 0.623 509 A CB -1.020 17.982 19.000 0.003 0.000 0.826 509 A HN 0.319 nan 8.150 nan 0.000 0.444 510 A N -1.109 121.713 122.820 0.004 0.000 2.070 510 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 510 A C 2.371 179.957 177.584 0.003 0.000 1.159 510 A CA 2.001 54.040 52.037 0.004 0.000 0.656 510 A CB -0.725 18.278 19.000 0.004 0.000 0.800 510 A HN 0.554 nan 8.150 nan 0.000 0.453 511 S N -0.410 115.292 115.700 0.003 0.000 2.345 511 S HA -0.088 4.382 4.470 -0.000 0.000 0.220 511 S C 1.893 176.494 174.600 0.002 0.000 1.031 511 S CA 1.347 59.548 58.200 0.003 0.000 0.996 511 S CB -0.308 62.893 63.200 0.003 0.000 0.882 511 S HN 0.397 nan 8.310 nan 0.000 0.445 512 I N 1.778 122.349 120.570 0.002 0.000 2.286 512 I HA -0.019 4.151 4.170 -0.000 0.000 0.245 512 I C 2.721 178.839 176.117 0.001 0.000 1.104 512 I CA 1.351 62.651 61.300 0.001 0.000 1.397 512 I CB -2.178 35.823 38.000 0.001 0.000 1.072 512 I HN 0.436 nan 8.210 nan 0.000 0.417 513 G N 1.194 109.995 108.800 0.002 0.000 2.586 513 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 513 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 513 G C 1.876 176.778 174.900 0.002 0.000 1.216 513 G CA 1.560 46.661 45.100 0.002 0.000 0.786 513 G HN 0.480 nan 8.290 nan 0.000 0.583 514 A N 0.379 123.201 122.820 0.003 0.000 1.917 514 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 514 A C 2.440 180.025 177.584 0.002 0.000 1.182 514 A CA 1.702 53.741 52.037 0.003 0.000 0.633 514 A CB -0.488 18.514 19.000 0.004 0.000 0.819 514 A HN 0.321 nan 8.150 nan 0.000 0.448 515 L N -0.263 120.960 121.223 0.001 0.000 1.990 515 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 515 L C 2.591 179.460 176.870 -0.001 0.000 1.072 515 L CA 2.081 56.921 54.840 -0.000 0.000 0.755 515 L CB -1.275 40.783 42.059 -0.001 0.000 0.889 515 L HN 0.461 nan 8.230 nan 0.000 0.432 516 I N -0.163 120.406 120.570 -0.001 0.000 2.118 516 I HA -0.381 3.789 4.170 -0.000 0.000 0.241 516 I C 2.438 178.556 176.117 0.001 0.000 1.070 516 I CA 1.269 62.568 61.300 -0.001 0.000 1.327 516 I CB -0.410 37.590 38.000 -0.000 0.000 1.034 516 I HN 0.263 nan 8.210 nan 0.000 0.405 517 L N 0.489 121.713 121.223 0.003 0.000 2.351 517 L HA -0.193 4.147 4.340 -0.000 0.000 0.220 517 L C 2.261 179.135 176.870 0.006 0.000 1.127 517 L CA 1.690 56.534 54.840 0.005 0.000 0.786 517 L CB -1.351 40.712 42.059 0.006 0.000 0.914 517 L HN 0.497 nan 8.230 nan 0.000 0.443 518 T N -5.417 109.139 114.554 0.004 0.000 3.122 518 T HA 0.066 4.416 4.350 -0.000 0.000 0.250 518 T C 0.778 175.479 174.700 0.002 0.000 1.067 518 T CA -0.285 61.818 62.100 0.004 0.000 0.966 518 T CB -0.375 68.495 68.868 0.003 0.000 1.002 518 T HN 0.064 nan 8.240 nan 0.000 0.542 519 T N 2.708 117.262 114.554 -0.001 0.000 2.916 519 T HA 0.298 4.648 4.350 -0.000 0.000 0.303 519 T C 0.623 175.323 174.700 0.000 0.000 1.025 519 T CA -0.121 61.974 62.100 -0.009 0.000 1.142 519 T CB 1.315 70.175 68.868 -0.013 0.000 0.947 519 T HN 0.308 nan 8.240 nan 0.000 0.544 520 E N 0.424 120.619 120.200 -0.008 0.000 2.712 520 E HA 0.480 4.830 4.350 -0.000 0.000 0.221 520 E C -0.286 176.306 176.600 -0.014 0.000 0.943 520 E CA -0.058 56.358 56.400 0.026 0.000 1.259 520 E CB 0.672 30.403 29.700 0.051 0.000 1.167 520 E HN 0.808 nan 8.360 nan 0.000 0.569 521 A N -0.707 122.038 122.820 -0.126 0.000 2.586 521 A HA 0.712 5.032 4.320 -0.000 0.000 0.291 521 A C -1.647 175.790 177.584 -0.246 0.000 1.062 521 A CA -0.420 51.410 52.037 -0.345 0.000 0.666 521 A CB 1.504 20.172 19.000 -0.553 0.000 1.281 521 A HN 0.059 nan 8.150 nan 0.000 0.421 522 V N 0.245 119.985 119.914 -0.290 0.000 2.851 522 V HA 0.531 4.651 4.120 -0.000 0.000 0.307 522 V C -1.061 174.927 176.094 -0.176 0.000 1.129 522 V CA -0.524 61.673 62.300 -0.171 0.000 0.932 522 V CB 2.056 33.819 31.823 -0.101 0.000 1.024 522 V HN 0.938 nan 8.190 nan 0.000 0.426 523 V N 3.946 123.785 119.914 -0.124 0.000 2.304 523 V HA 0.863 4.983 4.120 -0.000 0.000 0.278 523 V C 0.358 176.408 176.094 -0.074 0.000 1.018 523 V CA -0.043 62.195 62.300 -0.105 0.000 0.814 523 V CB 1.061 32.828 31.823 -0.093 0.000 1.021 523 V HN 1.049 nan 8.190 nan 0.000 0.440 524 A N 3.949 126.724 122.820 -0.075 0.000 2.414 524 A HA 0.898 5.218 4.320 -0.000 0.000 0.278 524 A C -0.344 177.143 177.584 -0.161 0.000 1.228 524 A CA -0.726 51.262 52.037 -0.082 0.000 0.857 524 A CB 0.967 19.948 19.000 -0.031 0.000 1.389 524 A HN 0.547 nan 8.150 nan 0.000 0.452 525 E N 1.183 121.186 120.200 -0.328 0.000 2.289 525 E HA 0.161 4.511 4.350 -0.000 0.000 0.278 525 E C -0.466 175.851 176.600 -0.472 0.000 1.032 525 E CA -0.193 55.933 56.400 -0.457 0.000 0.854 525 E CB 1.103 30.406 29.700 -0.663 0.000 1.046 525 E HN 0.489 nan 8.360 nan 0.000 0.409 526 K N 4.433 124.690 120.400 -0.238 0.000 2.448 526 K HA 0.069 4.389 4.320 -0.000 0.000 0.278 526 K C -2.018 174.519 176.600 -0.106 0.000 1.009 526 K CA -1.241 54.967 56.287 -0.131 0.000 0.995 526 K CB 0.293 32.752 32.500 -0.069 0.000 0.917 526 K HN 0.182 nan 8.250 nan 0.000 0.481 527 P HA -0.148 nan 4.420 nan 0.000 0.255 527 P C -0.878 176.447 177.300 0.042 0.000 1.151 527 P CA 0.789 63.925 63.100 0.061 0.000 0.767 527 P CB 0.393 32.126 31.700 0.054 0.000 0.736 528 E N 0.000 120.243 120.200 0.071 0.000 2.725 528 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 528 E CA 0.000 56.428 56.400 0.046 0.000 0.976 528 E CB 0.000 29.741 29.700 0.068 0.000 0.812 528 E HN 0.000 nan 8.360 nan 0.000 0.440