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 1sqb_1_B DATA FIRST_RESID 15 DATA SEQUENCE AGVPPHPQDL EFTRLPNGLV IASLENYAPA SRIGLFIKAG SRYENSNNLG DATA SEQUENCE TSHLLRLASS LTTKGASSFK ITRGIEAVGG KLSVTSTREN MAYTVECLRD DATA SEQUENCE DVDILMEFLL NVTTAPEFRR WEVAALQPQL RIDKAVALQN PQAHVIENLH DATA SEQUENCE AAAYRNALAN SLYCPDYRIG KVTPVELHDY VQNHFTSARM ALIGLGVSHP DATA SEQUENCE VLKQVAEQFL NIRGGLGLSG AKAKYHGGEI REQNGDSLVH AALVAESAAI DATA SEQUENCE GSAEANAFSV LQHVLGAGPH VKRGSNATSS LYQAVAKGVH QPFDVSAFNA DATA SEQUENCE SYSDSGLFGF YTISQAASAG DVIKAAYNQV KTIAQGNLSN PDVQAAKNKL DATA SEQUENCE KAGYLMSVES SEGFLDEVGS QALAAGSYTP PSTVLQQIDA VADADVINAA DATA SEQUENCE KKFVSGRKSM AASGNLGHTP FIDEL 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.574 177.584 -0.017 0.000 1.274 15 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 15 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 16 G N 0.727 109.516 108.800 -0.018 0.000 3.340 16 G HA2 0.456 4.416 3.960 -0.000 0.000 0.240 16 G HA3 0.456 4.416 3.960 -0.000 0.000 0.240 16 G C 0.566 175.450 174.900 -0.026 0.000 1.327 16 G CA 0.733 45.821 45.100 -0.020 0.000 1.170 16 G HN 1.874 nan 8.290 nan 0.000 0.520 17 V N -1.775 118.121 119.914 -0.030 0.000 2.775 17 V HA 0.609 4.729 4.120 -0.000 0.000 0.299 17 V C -1.626 174.439 176.094 -0.048 0.000 1.062 17 V CA -2.064 60.211 62.300 -0.041 0.000 1.063 17 V CB 0.875 32.672 31.823 -0.042 0.000 0.994 17 V HN 0.078 nan 8.190 nan 0.000 0.483 18 P HA 0.520 nan 4.420 nan 0.000 0.280 18 P C -2.645 174.613 177.300 -0.070 0.000 1.272 18 P CA -1.559 61.505 63.100 -0.061 0.000 0.819 18 P CB -0.460 31.204 31.700 -0.060 0.000 1.122 19 P HA 0.037 nan 4.420 nan 0.000 0.268 19 P C -0.161 177.129 177.300 -0.015 0.000 1.205 19 P CA 0.127 63.191 63.100 -0.061 0.000 0.771 19 P CB 0.314 31.927 31.700 -0.145 0.000 0.858 20 H N 3.876 122.930 119.070 -0.027 0.000 3.070 20 H HA 0.047 4.603 4.556 -0.000 0.000 0.313 20 H C -1.475 173.873 175.328 0.034 0.000 0.997 20 H CA -0.433 55.616 56.048 0.002 0.000 1.438 20 H CB 0.071 29.835 29.762 0.003 0.000 1.455 20 H HN 0.317 nan 8.280 nan 0.000 0.575 21 P HA 0.045 nan 4.420 nan 0.000 0.271 21 P C 0.007 177.392 177.300 0.142 0.000 1.220 21 P CA -0.282 62.890 63.100 0.120 0.000 0.768 21 P CB 1.006 32.735 31.700 0.049 0.000 0.848 22 Q N 1.715 121.598 119.800 0.138 0.000 2.417 22 Q HA 0.144 4.484 4.340 -0.000 0.000 0.241 22 Q C -0.163 175.869 176.000 0.054 0.000 1.008 22 Q CA 0.129 55.991 55.803 0.099 0.000 0.901 22 Q CB 0.688 29.473 28.738 0.079 0.000 1.259 22 Q HN 0.477 nan 8.270 nan 0.000 0.489 23 D N 0.984 121.413 120.400 0.049 0.000 2.229 23 D HA 0.261 4.901 4.640 -0.000 0.000 0.249 23 D C -0.214 176.103 176.300 0.029 0.000 1.027 23 D CA -0.568 53.465 54.000 0.054 0.000 0.923 23 D CB 0.988 41.826 40.800 0.063 0.000 1.174 23 D HN 0.314 nan 8.370 nan 0.000 0.443 24 L N 1.213 122.462 121.223 0.044 0.000 2.453 24 L HA 0.064 4.404 4.340 -0.000 0.000 0.272 24 L C 0.163 177.027 176.870 -0.010 0.000 1.182 24 L CA 0.210 55.048 54.840 -0.004 0.000 0.858 24 L CB 0.305 42.282 42.059 -0.137 0.000 1.120 24 L HN 0.155 nan 8.230 nan 0.000 0.474 25 E N 5.416 125.561 120.200 -0.091 0.000 2.113 25 E HA 0.215 4.565 4.350 -0.000 0.000 0.273 25 E C -1.408 175.051 176.600 -0.234 0.000 0.924 25 E CA -0.317 55.913 56.400 -0.285 0.000 0.764 25 E CB 1.811 31.129 29.700 -0.638 0.000 1.104 25 E HN 0.389 nan 8.360 nan 0.000 0.406 26 F N 1.512 121.336 119.950 -0.210 0.000 2.495 26 F HA 0.367 4.894 4.527 -0.000 0.000 0.327 26 F C -0.536 175.290 175.800 0.043 0.000 1.103 26 F CA -0.245 57.739 58.000 -0.026 0.000 0.949 26 F CB 1.923 40.942 39.000 0.031 0.000 1.142 26 F HN 0.098 nan 8.300 nan 0.000 0.457 27 T N 5.778 120.177 114.554 -0.259 0.000 3.109 27 T HA 0.356 4.706 4.350 -0.000 0.000 0.311 27 T C -0.811 173.749 174.700 -0.232 0.000 1.011 27 T CA -0.737 61.322 62.100 -0.067 0.000 1.026 27 T CB 1.141 70.104 68.868 0.158 0.000 1.047 27 T HN 0.450 nan 8.240 nan 0.000 0.448 28 R N 3.021 123.476 120.500 -0.074 0.000 2.196 28 R HA 0.429 4.769 4.340 -0.000 0.000 0.340 28 R C -0.163 176.123 176.300 -0.022 0.000 1.043 28 R CA -0.594 55.478 56.100 -0.046 0.000 0.883 28 R CB 0.960 31.299 30.300 0.065 0.000 1.078 28 R HN 0.505 nan 8.270 nan 0.000 0.462 29 L N 5.175 126.372 121.223 -0.044 0.000 2.439 29 L HA 0.127 4.467 4.340 -0.000 0.000 0.269 29 L C -0.870 175.993 176.870 -0.012 0.000 1.179 29 L CA -1.574 53.249 54.840 -0.029 0.000 0.828 29 L CB 0.765 42.799 42.059 -0.042 0.000 1.106 29 L HN 0.361 nan 8.230 nan 0.000 0.467 30 P HA -0.165 nan 4.420 nan 0.000 0.219 30 P C 0.603 177.901 177.300 -0.003 0.000 1.146 30 P CA 1.185 64.284 63.100 -0.001 0.000 0.808 30 P CB -0.165 31.533 31.700 -0.003 0.000 0.779 31 N N -0.715 117.979 118.700 -0.010 0.000 2.521 31 N HA 0.012 4.751 4.740 -0.000 0.000 0.188 31 N C 1.375 176.881 175.510 -0.006 0.000 1.146 31 N CA 1.114 54.158 53.050 -0.010 0.000 0.893 31 N CB -0.842 37.636 38.487 -0.016 0.000 0.975 31 N HN 0.261 nan 8.380 nan 0.000 0.451 32 G N -0.622 108.176 108.800 -0.003 0.000 2.254 32 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.225 32 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.225 32 G C -0.227 174.670 174.900 -0.005 0.000 1.003 32 G CA 0.086 45.188 45.100 0.003 0.000 0.622 32 G HN 0.497 nan 8.290 nan 0.000 0.507 33 L N 2.221 123.432 121.223 -0.020 0.000 2.453 33 L HA 0.639 4.979 4.340 -0.000 0.000 0.272 33 L C 0.451 177.278 176.870 -0.073 0.000 1.182 33 L CA -0.210 54.608 54.840 -0.035 0.000 0.858 33 L CB 1.319 43.358 42.059 -0.034 0.000 1.120 33 L HN 0.152 nan 8.230 nan 0.000 0.474 34 V N 6.671 126.526 119.914 -0.098 0.000 2.483 34 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 34 V C -0.011 175.940 176.094 -0.237 0.000 1.035 34 V CA -0.373 61.792 62.300 -0.227 0.000 0.896 34 V CB 1.614 33.311 31.823 -0.209 0.000 0.986 34 V HN 0.643 nan 8.190 nan 0.000 0.447 35 I N 4.062 124.433 120.570 -0.332 0.000 2.436 35 I HA 0.782 4.952 4.170 -0.000 0.000 0.289 35 I C 0.010 176.024 176.117 -0.172 0.000 1.010 35 I CA -0.258 60.919 61.300 -0.205 0.000 1.098 35 I CB 1.924 39.802 38.000 -0.203 0.000 1.266 35 I HN 0.664 nan 8.210 nan 0.000 0.434 36 A N 4.397 127.185 122.820 -0.053 0.000 2.393 36 A HA 0.937 5.257 4.320 -0.000 0.000 0.306 36 A C -0.630 177.020 177.584 0.111 0.000 1.050 36 A CA -0.476 51.594 52.037 0.054 0.000 0.724 36 A CB 1.629 20.667 19.000 0.063 0.000 1.248 36 A HN 0.692 nan 8.150 nan 0.000 0.424 37 S N 1.408 117.193 115.700 0.142 0.000 2.556 37 S HA 0.791 5.261 4.470 -0.000 0.000 0.271 37 S C -1.301 173.339 174.600 0.066 0.000 1.135 37 S CA -0.671 57.606 58.200 0.129 0.000 0.858 37 S CB 1.580 64.909 63.200 0.216 0.000 1.114 37 S HN 1.185 nan 8.310 nan 0.000 0.468 38 L N 1.630 122.888 121.223 0.060 0.000 2.441 38 L HA 0.555 4.895 4.340 -0.000 0.000 0.270 38 L C -1.123 175.705 176.870 -0.071 0.000 0.973 38 L CA -0.358 54.486 54.840 0.007 0.000 0.842 38 L CB 1.870 43.960 42.059 0.051 0.000 1.239 38 L HN 0.968 nan 8.230 nan 0.000 0.406 39 E N 3.280 123.389 120.200 -0.150 0.000 1.893 39 E HA 0.075 4.425 4.350 -0.000 0.000 0.269 39 E C 0.642 176.993 176.600 -0.415 0.000 1.129 39 E CA -0.162 56.033 56.400 -0.341 0.000 0.904 39 E CB 0.340 29.766 29.700 -0.456 0.000 1.077 39 E HN 0.600 nan 8.360 nan 0.000 0.407 40 N N 3.041 121.585 118.700 -0.259 0.000 2.336 40 N HA -0.116 4.624 4.740 -0.000 0.000 0.189 40 N C -0.257 175.280 175.510 0.044 0.000 1.113 40 N CA -0.048 52.939 53.050 -0.105 0.000 0.858 40 N CB -0.401 38.023 38.487 -0.106 0.000 0.970 40 N HN 0.450 nan 8.380 nan 0.000 0.471 41 Y N -1.426 118.866 120.300 -0.013 0.000 4.409 41 Y HA -0.281 4.269 4.550 -0.000 0.000 0.228 41 Y C 0.791 176.686 175.900 -0.009 0.000 1.108 41 Y CA 0.166 58.261 58.100 -0.007 0.000 1.955 41 Y CB -2.374 36.082 38.460 -0.006 0.000 1.615 41 Y HN 0.390 nan 8.280 nan 0.000 0.665 42 A N 0.274 123.138 122.820 0.073 0.000 2.445 42 A HA 0.377 4.697 4.320 -0.000 0.000 0.242 42 A C -0.774 176.836 177.584 0.044 0.000 1.075 42 A CA -0.532 51.533 52.037 0.046 0.000 0.777 42 A CB 0.232 19.241 19.000 0.015 0.000 1.013 42 A HN 0.104 nan 8.150 nan 0.000 0.493 43 P HA -0.006 nan 4.420 nan 0.000 0.218 43 P C 0.423 177.738 177.300 0.025 0.000 1.149 43 P CA 1.822 64.941 63.100 0.031 0.000 0.817 43 P CB 0.152 31.866 31.700 0.024 0.000 0.785 44 A N -1.382 121.451 122.820 0.021 0.000 2.299 44 A HA 0.667 4.986 4.320 -0.000 0.000 0.332 44 A C -0.003 177.593 177.584 0.019 0.000 1.131 44 A CA -0.259 51.790 52.037 0.020 0.000 0.844 44 A CB 0.966 19.977 19.000 0.019 0.000 1.251 44 A HN -0.074 nan 8.150 nan 0.000 0.486 45 S N -0.689 115.024 115.700 0.021 0.000 2.566 45 S HA 0.744 5.214 4.470 -0.000 0.000 0.298 45 S C -0.512 174.109 174.600 0.035 0.000 1.083 45 S CA -0.593 57.621 58.200 0.024 0.000 0.978 45 S CB 1.481 64.692 63.200 0.019 0.000 1.073 45 S HN 0.618 nan 8.310 nan 0.000 0.491 46 R N 1.555 122.083 120.500 0.046 0.000 2.533 46 R HA 0.594 4.934 4.340 -0.000 0.000 0.288 46 R C -1.923 174.421 176.300 0.073 0.000 1.039 46 R CA -0.360 55.776 56.100 0.061 0.000 0.909 46 R CB 0.974 31.321 30.300 0.079 0.000 1.195 46 R HN 0.564 nan 8.270 nan 0.000 0.438 47 I N 2.052 122.661 120.570 0.066 0.000 2.499 47 I HA 0.464 4.634 4.170 -0.000 0.000 0.288 47 I C 0.072 176.232 176.117 0.071 0.000 1.048 47 I CA -0.552 60.792 61.300 0.073 0.000 1.062 47 I CB 2.453 40.481 38.000 0.047 0.000 1.238 47 I HN 0.659 nan 8.210 nan 0.000 0.426 48 G N 5.730 114.604 108.800 0.125 0.000 2.609 48 G HA2 0.630 4.590 3.960 -0.000 0.000 0.308 48 G HA3 0.630 4.590 3.960 -0.000 0.000 0.308 48 G C -1.714 173.254 174.900 0.112 0.000 1.369 48 G CA -0.518 44.612 45.100 0.051 0.000 0.958 48 G HN 0.379 nan 8.290 nan 0.000 0.499 49 L N 2.800 124.003 121.223 -0.034 0.000 2.264 49 L HA 0.652 4.992 4.340 -0.000 0.000 0.287 49 L C -1.233 175.593 176.870 -0.073 0.000 1.039 49 L CA -1.106 53.743 54.840 0.015 0.000 0.829 49 L CB 0.070 42.098 42.059 -0.051 0.000 1.211 49 L HN 0.328 nan 8.230 nan 0.000 0.427 50 F N 6.001 125.942 119.950 -0.015 0.000 2.410 50 F HA 0.549 5.076 4.527 -0.000 0.000 0.349 50 F C 0.182 175.948 175.800 -0.057 0.000 1.117 50 F CA -0.323 57.668 58.000 -0.014 0.000 1.104 50 F CB 0.951 39.953 39.000 0.003 0.000 1.122 50 F HN 0.244 nan 8.300 nan 0.000 0.483 51 I N 3.302 123.906 120.570 0.056 0.000 2.465 51 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 51 I C -0.048 176.088 176.117 0.032 0.000 1.014 51 I CA -1.022 60.239 61.300 -0.064 0.000 1.093 51 I CB 1.898 39.654 38.000 -0.408 0.000 1.267 51 I HN 0.388 nan 8.210 nan 0.000 0.431 52 K N 5.105 125.521 120.400 0.026 0.000 2.408 52 K HA 0.300 4.620 4.320 -0.000 0.000 0.231 52 K C 0.368 176.923 176.600 -0.073 0.000 1.261 52 K CA 0.009 56.327 56.287 0.052 0.000 1.193 52 K CB 0.135 32.625 32.500 -0.017 0.000 1.431 52 K HN 0.774 nan 8.250 nan 0.000 0.243 53 A N 1.046 123.943 122.820 0.129 0.000 2.592 53 A HA 0.235 4.555 4.320 -0.000 0.000 0.290 53 A C 0.748 178.573 177.584 0.402 0.000 0.998 53 A CA -0.378 51.768 52.037 0.182 0.000 0.983 53 A CB 0.548 19.751 19.000 0.338 0.000 1.240 53 A HN 0.512 nan 8.150 nan 0.000 0.535 54 G N -0.012 109.019 108.800 0.385 0.000 2.712 54 G HA2 0.309 4.269 3.960 -0.000 0.000 0.258 54 G HA3 0.309 4.269 3.960 -0.000 0.000 0.258 54 G C 1.320 176.304 174.900 0.140 0.000 1.241 54 G CA 0.490 45.708 45.100 0.196 0.000 0.923 54 G HN 0.892 nan 8.290 nan 0.000 0.548 55 S N -0.493 115.200 115.700 -0.012 0.000 2.420 55 S HA -0.256 4.214 4.470 -0.000 0.000 0.237 55 S C 2.079 176.617 174.600 -0.103 0.000 1.023 55 S CA 1.627 59.791 58.200 -0.060 0.000 0.991 55 S CB -0.383 62.739 63.200 -0.130 0.000 0.792 55 S HN 0.828 nan 8.310 nan 0.000 0.488 56 R N 0.012 120.356 120.500 -0.260 0.000 2.293 56 R HA -0.050 4.290 4.340 -0.000 0.000 0.219 56 R C 0.881 176.925 176.300 -0.427 0.000 1.091 56 R CA 1.277 57.131 56.100 -0.410 0.000 1.004 56 R CB -0.721 29.220 30.300 -0.597 0.000 0.865 56 R HN 0.558 nan 8.270 nan 0.000 0.469 57 Y N 1.170 121.457 120.300 -0.022 0.000 2.457 57 Y HA 0.294 4.844 4.550 -0.000 0.000 0.263 57 Y C 0.079 176.028 175.900 0.082 0.000 1.164 57 Y CA -0.565 57.510 58.100 -0.041 0.000 1.274 57 Y CB 0.171 38.441 38.460 -0.317 0.000 1.097 57 Y HN 0.097 nan 8.280 nan 0.000 0.523 58 E N 1.460 121.791 120.200 0.217 0.000 2.349 58 E HA 0.185 4.535 4.350 -0.000 0.000 0.265 58 E C -0.371 176.307 176.600 0.129 0.000 1.064 58 E CA -0.413 56.116 56.400 0.215 0.000 0.886 58 E CB 0.617 30.381 29.700 0.107 0.000 1.036 58 E HN 0.419 nan 8.360 nan 0.000 0.413 59 N N -1.544 117.233 118.700 0.127 0.000 2.545 59 N HA 0.141 4.881 4.740 -0.000 0.000 0.289 59 N C 0.221 175.780 175.510 0.081 0.000 1.279 59 N CA -0.677 52.428 53.050 0.091 0.000 0.824 59 N CB 1.067 39.609 38.487 0.093 0.000 1.395 59 N HN 0.231 nan 8.380 nan 0.000 0.526 60 S N -0.238 115.505 115.700 0.072 0.000 2.420 60 S HA -0.231 4.239 4.470 -0.000 0.000 0.237 60 S C 0.907 175.570 174.600 0.104 0.000 1.023 60 S CA 1.418 59.669 58.200 0.085 0.000 0.991 60 S CB -0.896 62.342 63.200 0.063 0.000 0.792 60 S HN 0.686 nan 8.310 nan 0.000 0.488 61 N N 2.643 121.393 118.700 0.085 0.000 2.457 61 N HA 0.002 4.742 4.740 -0.000 0.000 0.180 61 N C 0.779 176.332 175.510 0.071 0.000 1.050 61 N CA 0.986 54.085 53.050 0.082 0.000 0.906 61 N CB -0.091 38.434 38.487 0.064 0.000 0.968 61 N HN 0.695 nan 8.380 nan 0.000 0.445 62 N N 0.180 118.919 118.700 0.066 0.000 2.451 62 N HA 0.031 4.771 4.740 -0.000 0.000 0.271 62 N C -0.993 174.516 175.510 -0.002 0.000 1.410 62 N CA -0.269 52.800 53.050 0.033 0.000 0.884 62 N CB -0.136 38.389 38.487 0.063 0.000 1.332 62 N HN -0.114 nan 8.380 nan 0.000 0.498 63 L N 1.318 122.540 121.223 -0.001 0.000 2.540 63 L HA 0.302 4.642 4.340 -0.000 0.000 0.276 63 L C 1.703 178.511 176.870 -0.104 0.000 1.212 63 L CA 1.779 56.601 54.840 -0.030 0.000 0.893 63 L CB -0.391 41.677 42.059 0.015 0.000 1.138 63 L HN 0.677 nan 8.230 nan 0.000 0.491 64 G N 2.142 110.886 108.800 -0.092 0.000 2.175 64 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.244 64 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.244 64 G C 0.996 175.804 174.900 -0.154 0.000 0.982 64 G CA 0.547 45.592 45.100 -0.091 0.000 0.641 64 G HN 0.578 nan 8.290 nan 0.000 0.527 65 T N 1.291 115.708 114.554 -0.228 0.000 2.788 65 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 65 T C 2.683 177.079 174.700 -0.506 0.000 1.044 65 T CA 2.505 64.394 62.100 -0.352 0.000 1.139 65 T CB -0.312 68.349 68.868 -0.345 0.000 0.867 65 T HN 1.204 nan 8.240 nan 0.000 0.454 66 S N 0.315 115.679 115.700 -0.561 0.000 2.489 66 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 66 S C 1.746 176.246 174.600 -0.166 0.000 0.995 66 S CA 0.504 58.413 58.200 -0.485 0.000 0.934 66 S CB -0.590 62.376 63.200 -0.390 0.000 0.771 66 S HN 0.748 nan 8.310 nan 0.000 0.522 67 H N 0.182 119.106 119.070 -0.244 0.000 2.343 67 H HA 0.114 4.670 4.556 -0.000 0.000 0.303 67 H C 2.099 177.342 175.328 -0.142 0.000 1.068 67 H CA 0.979 56.919 56.048 -0.180 0.000 1.359 67 H CB -0.118 29.553 29.762 -0.153 0.000 1.402 67 H HN 0.347 nan 8.280 nan 0.000 0.515 68 L N 1.401 122.498 121.223 -0.209 0.000 2.079 68 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 68 L C 2.397 179.173 176.870 -0.157 0.000 1.081 68 L CA 1.198 55.890 54.840 -0.246 0.000 0.752 68 L CB -0.921 40.987 42.059 -0.251 0.000 0.896 68 L HN 0.397 nan 8.230 nan 0.000 0.433 69 L N -0.784 120.344 121.223 -0.159 0.000 2.046 69 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 69 L C 2.788 179.699 176.870 0.069 0.000 1.077 69 L CA 1.584 56.394 54.840 -0.049 0.000 0.747 69 L CB -0.273 41.740 42.059 -0.076 0.000 0.896 69 L HN 0.350 nan 8.230 nan 0.000 0.432 70 R N 0.171 120.681 120.500 0.016 0.000 2.091 70 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 70 R C 2.104 178.399 176.300 -0.009 0.000 1.136 70 R CA 1.479 57.569 56.100 -0.017 0.000 0.959 70 R CB -0.244 30.050 30.300 -0.009 0.000 0.856 70 R HN 0.392 nan 8.270 nan 0.000 0.437 71 L N 0.014 121.234 121.223 -0.005 0.000 2.478 71 L HA 0.099 4.439 4.340 -0.000 0.000 0.223 71 L C 1.921 178.798 176.870 0.012 0.000 1.140 71 L CA 0.581 55.412 54.840 -0.015 0.000 0.842 71 L CB -0.199 41.815 42.059 -0.075 0.000 0.953 71 L HN 0.259 nan 8.230 nan 0.000 0.452 72 A N -0.171 122.684 122.820 0.057 0.000 2.337 72 A HA 0.040 4.360 4.320 -0.000 0.000 0.227 72 A C 2.166 179.838 177.584 0.147 0.000 1.259 72 A CA 0.586 52.692 52.037 0.115 0.000 0.870 72 A CB -0.279 18.840 19.000 0.198 0.000 0.927 72 A HN 0.395 nan 8.150 nan 0.000 0.497 73 S N -1.213 114.571 115.700 0.140 0.000 2.547 73 S HA -0.032 4.438 4.470 -0.000 0.000 0.235 73 S C 1.471 176.119 174.600 0.080 0.000 0.980 73 S CA 1.437 59.746 58.200 0.182 0.000 0.941 73 S CB -0.208 63.115 63.200 0.206 0.000 0.763 73 S HN 0.351 nan 8.310 nan 0.000 0.532 74 S N 0.056 115.777 115.700 0.034 0.000 2.539 74 S HA 0.456 4.926 4.470 -0.000 0.000 0.221 74 S C 0.381 174.977 174.600 -0.007 0.000 0.987 74 S CA -0.664 57.529 58.200 -0.013 0.000 0.929 74 S CB -0.291 62.895 63.200 -0.024 0.000 0.832 74 S HN 0.475 nan 8.310 nan 0.000 0.492 75 L N 2.012 123.238 121.223 0.005 0.000 2.439 75 L HA 0.320 4.660 4.340 -0.000 0.000 0.261 75 L C 0.622 177.467 176.870 -0.041 0.000 1.153 75 L CA -0.574 54.261 54.840 -0.008 0.000 0.808 75 L CB 0.145 42.203 42.059 -0.001 0.000 1.126 75 L HN 0.012 nan 8.230 nan 0.000 0.460 76 T N 1.114 115.652 114.554 -0.027 0.000 2.849 76 T HA 0.094 4.444 4.350 -0.000 0.000 0.289 76 T C 0.427 175.077 174.700 -0.084 0.000 1.010 76 T CA 0.060 62.148 62.100 -0.020 0.000 1.161 76 T CB -0.065 68.812 68.868 0.015 0.000 0.989 76 T HN 0.811 nan 8.240 nan 0.000 0.523 77 T N 0.695 115.221 114.554 -0.045 0.000 2.949 77 T HA 0.482 4.832 4.350 -0.000 0.000 0.287 77 T C 1.183 175.867 174.700 -0.025 0.000 1.034 77 T CA -1.173 60.886 62.100 -0.068 0.000 1.018 77 T CB 1.723 70.564 68.868 -0.045 0.000 1.135 77 T HN 0.387 nan 8.240 nan 0.000 0.532 78 K N 0.233 120.614 120.400 -0.032 0.000 2.057 78 K HA 0.027 4.347 4.320 -0.000 0.000 0.207 78 K C 2.233 178.836 176.600 0.004 0.000 1.049 78 K CA 1.510 57.792 56.287 -0.009 0.000 0.931 78 K CB -0.551 31.943 32.500 -0.010 0.000 0.714 78 K HN 0.787 nan 8.250 nan 0.000 0.440 79 G N -0.444 108.355 108.800 -0.002 0.000 2.744 79 G HA2 0.227 4.187 3.960 -0.000 0.000 0.211 79 G HA3 0.227 4.187 3.960 -0.000 0.000 0.211 79 G C -0.139 174.774 174.900 0.022 0.000 1.146 79 G CA 0.323 45.419 45.100 -0.007 0.000 0.787 79 G HN 0.295 nan 8.290 nan 0.000 0.534 80 A N 0.373 123.232 122.820 0.066 0.000 2.437 80 A HA 0.647 4.967 4.320 -0.000 0.000 0.293 80 A C 0.084 177.741 177.584 0.122 0.000 1.038 80 A CA -0.052 52.073 52.037 0.146 0.000 0.708 80 A CB 0.921 20.116 19.000 0.326 0.000 1.251 80 A HN 0.749 nan 8.150 nan 0.000 0.409 81 S N 1.689 117.468 115.700 0.132 0.000 2.584 81 S HA 0.270 4.740 4.470 -0.000 0.000 0.270 81 S C 1.459 176.128 174.600 0.115 0.000 1.346 81 S CA 0.513 58.788 58.200 0.125 0.000 1.018 81 S CB 1.175 64.471 63.200 0.159 0.000 0.899 81 S HN 1.636 nan 8.310 nan 0.000 0.542 82 S N 1.262 117.024 115.700 0.105 0.000 2.372 82 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 82 S C 1.465 176.116 174.600 0.087 0.000 1.044 82 S CA 1.867 60.114 58.200 0.078 0.000 1.050 82 S CB -0.999 62.258 63.200 0.095 0.000 0.901 82 S HN 0.759 nan 8.310 nan 0.000 0.447 83 F N 2.130 122.083 119.950 0.004 0.000 2.126 83 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 83 F C 2.399 178.190 175.800 -0.015 0.000 1.096 83 F CA 2.021 60.019 58.000 -0.003 0.000 1.255 83 F CB -0.373 38.636 39.000 0.016 0.000 0.997 83 F HN 0.130 nan 8.300 nan 0.000 0.479 84 K N 0.684 121.137 120.400 0.088 0.000 2.057 84 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 84 K C 2.125 178.623 176.600 -0.170 0.000 1.049 84 K CA 1.941 58.251 56.287 0.038 0.000 0.931 84 K CB -0.494 32.144 32.500 0.230 0.000 0.714 84 K HN 0.375 nan 8.250 nan 0.000 0.440 85 I N 0.551 120.954 120.570 -0.280 0.000 2.179 85 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 85 I C 2.257 177.967 176.117 -0.678 0.000 1.088 85 I CA 1.459 62.294 61.300 -0.774 0.000 1.357 85 I CB -0.503 37.261 38.000 -0.394 0.000 1.051 85 I HN 0.143 nan 8.210 nan 0.000 0.409 86 T N 0.460 114.773 114.554 -0.401 0.000 2.674 86 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 86 T C 2.080 176.565 174.700 -0.357 0.000 1.039 86 T CA 1.070 62.972 62.100 -0.329 0.000 1.150 86 T CB -0.153 68.569 68.868 -0.243 0.000 0.864 86 T HN 0.178 nan 8.240 nan 0.000 0.427 87 R N 0.804 121.031 120.500 -0.456 0.000 2.092 87 R HA 0.078 4.418 4.340 -0.000 0.000 0.231 87 R C 2.811 178.976 176.300 -0.225 0.000 1.119 87 R CA 1.309 57.166 56.100 -0.405 0.000 0.970 87 R CB -1.300 28.600 30.300 -0.668 0.000 0.864 87 R HN 0.506 nan 8.270 nan 0.000 0.440 88 G N 0.828 109.518 108.800 -0.184 0.000 2.402 88 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 88 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 88 G C 1.619 176.544 174.900 0.041 0.000 1.162 88 G CA 0.260 45.391 45.100 0.052 0.000 0.777 88 G HN 0.201 nan 8.290 nan 0.000 0.539 89 I N 0.357 120.814 120.570 -0.188 0.000 2.252 89 I HA -0.090 4.080 4.170 -0.000 0.000 0.245 89 I C 2.736 178.807 176.117 -0.077 0.000 1.102 89 I CA 1.019 62.246 61.300 -0.122 0.000 1.385 89 I CB -0.086 37.762 38.000 -0.254 0.000 1.064 89 I HN 0.215 nan 8.210 nan 0.000 0.414 90 E N 0.712 120.844 120.200 -0.113 0.000 2.150 90 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 90 E C 2.327 178.898 176.600 -0.049 0.000 0.985 90 E CA 1.028 57.379 56.400 -0.081 0.000 0.814 90 E CB -0.141 29.498 29.700 -0.101 0.000 0.752 90 E HN 0.499 nan 8.360 nan 0.000 0.466 91 A N 1.309 124.103 122.820 -0.043 0.000 1.940 91 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 91 A C 2.373 179.957 177.584 0.000 0.000 1.176 91 A CA 1.782 53.809 52.037 -0.016 0.000 0.631 91 A CB -0.528 18.470 19.000 -0.002 0.000 0.814 91 A HN 0.238 nan 8.150 nan 0.000 0.446 92 V N -4.207 115.712 119.914 0.009 0.000 3.621 92 V HA 0.550 4.670 4.120 -0.000 0.000 0.285 92 V C 1.273 177.372 176.094 0.007 0.000 1.346 92 V CA 0.495 62.804 62.300 0.016 0.000 1.104 92 V CB -0.856 30.987 31.823 0.033 0.000 0.913 92 V HN 1.508 nan 8.190 nan 0.000 0.432 93 G N 0.052 108.849 108.800 -0.005 0.000 2.176 93 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.252 93 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.252 93 G C 0.535 175.431 174.900 -0.008 0.000 1.024 93 G CA 0.215 45.310 45.100 -0.009 0.000 0.755 93 G HN 1.333 nan 8.290 nan 0.000 0.507 94 G N -0.839 107.957 108.800 -0.008 0.000 2.580 94 G HA2 0.593 4.552 3.960 -0.000 0.000 0.278 94 G HA3 0.593 4.552 3.960 -0.000 0.000 0.278 94 G C -0.040 174.848 174.900 -0.020 0.000 1.212 94 G CA -0.430 44.668 45.100 -0.003 0.000 0.939 94 G HN 0.372 nan 8.290 nan 0.000 0.513 95 K N -0.520 119.872 120.400 -0.013 0.000 2.375 95 K HA 0.539 4.859 4.320 -0.000 0.000 0.249 95 K C -1.647 174.942 176.600 -0.019 0.000 0.942 95 K CA -0.908 55.365 56.287 -0.023 0.000 0.806 95 K CB 2.651 35.142 32.500 -0.015 0.000 1.227 95 K HN 0.329 nan 8.250 nan 0.000 0.430 96 L N 0.530 121.735 121.223 -0.030 0.000 2.404 96 L HA 0.403 4.743 4.340 -0.000 0.000 0.272 96 L C -1.361 175.494 176.870 -0.026 0.000 0.980 96 L CA 0.074 54.905 54.840 -0.015 0.000 0.836 96 L CB 1.818 43.865 42.059 -0.019 0.000 1.238 96 L HN 0.649 nan 8.230 nan 0.000 0.408 97 S N 3.820 119.498 115.700 -0.037 0.000 2.526 97 S HA 0.758 5.228 4.470 -0.000 0.000 0.293 97 S C -0.926 173.576 174.600 -0.162 0.000 1.092 97 S CA -0.737 57.415 58.200 -0.080 0.000 0.980 97 S CB 1.992 65.152 63.200 -0.067 0.000 1.048 97 S HN 0.754 nan 8.310 nan 0.000 0.483 98 V N 1.952 121.723 119.914 -0.238 0.000 2.376 98 V HA 0.720 4.840 4.120 -0.000 0.000 0.287 98 V C -0.427 175.491 176.094 -0.294 0.000 1.015 98 V CA -0.064 61.971 62.300 -0.442 0.000 0.834 98 V CB 1.125 32.429 31.823 -0.865 0.000 1.001 98 V HN 0.995 nan 8.190 nan 0.000 0.428 99 T N 5.481 119.874 114.554 -0.269 0.000 2.874 99 T HA 0.474 4.824 4.350 -0.000 0.000 0.321 99 T C 0.066 174.680 174.700 -0.143 0.000 1.075 99 T CA -0.094 61.906 62.100 -0.166 0.000 0.966 99 T CB 0.255 69.060 68.868 -0.105 0.000 1.001 99 T HN 0.828 nan 8.240 nan 0.000 0.476 100 S N 3.444 119.066 115.700 -0.130 0.000 2.584 100 S HA 0.650 5.120 4.470 -0.000 0.000 0.273 100 S C 0.722 175.279 174.600 -0.072 0.000 1.311 100 S CA -0.652 57.491 58.200 -0.094 0.000 1.034 100 S CB 1.243 64.370 63.200 -0.121 0.000 0.939 100 S HN 0.987 nan 8.310 nan 0.000 0.513 101 T N -0.225 114.313 114.554 -0.027 0.000 2.724 101 T HA 0.476 4.826 4.350 -0.000 0.000 0.274 101 T C 0.772 175.455 174.700 -0.028 0.000 0.984 101 T CA -0.913 61.182 62.100 -0.009 0.000 1.024 101 T CB 0.856 69.760 68.868 0.059 0.000 1.320 101 T HN 0.385 nan 8.240 nan 0.000 0.555 102 R N 0.071 120.560 120.500 -0.018 0.000 2.235 102 R HA 0.079 4.419 4.340 -0.000 0.000 0.213 102 R C 1.836 178.073 176.300 -0.105 0.000 1.059 102 R CA 1.249 57.280 56.100 -0.116 0.000 0.997 102 R CB 0.049 30.205 30.300 -0.239 0.000 0.884 102 R HN 0.676 nan 8.270 nan 0.000 0.462 103 E N -1.230 118.984 120.200 0.023 0.000 2.367 103 E HA 0.093 4.443 4.350 -0.000 0.000 0.204 103 E C -0.011 176.710 176.600 0.201 0.000 0.840 103 E CA 0.100 56.546 56.400 0.077 0.000 1.051 103 E CB 0.536 30.320 29.700 0.140 0.000 1.051 103 E HN 0.294 nan 8.360 nan 0.000 0.509 104 N N 0.611 119.404 118.700 0.156 0.000 2.404 104 N HA 0.456 5.196 4.740 -0.000 0.000 0.297 104 N C -0.790 174.786 175.510 0.110 0.000 1.163 104 N CA -0.327 52.822 53.050 0.164 0.000 0.864 104 N CB 1.783 40.384 38.487 0.190 0.000 1.247 104 N HN -0.169 nan 8.380 nan 0.000 0.510 105 M N 1.686 121.337 119.600 0.086 0.000 2.259 105 M HA 0.458 4.938 4.480 -0.000 0.000 0.304 105 M C -1.397 174.860 176.300 -0.072 0.000 1.019 105 M CA -0.594 54.711 55.300 0.010 0.000 0.922 105 M CB 2.083 34.742 32.600 0.099 0.000 1.600 105 M HN 0.573 nan 8.290 nan 0.000 0.433 106 A N 3.582 126.267 122.820 -0.225 0.000 2.311 106 A HA 0.696 5.015 4.320 -0.000 0.000 0.306 106 A C -1.845 175.499 177.584 -0.399 0.000 1.189 106 A CA -0.413 51.334 52.037 -0.483 0.000 0.791 106 A CB 0.572 19.108 19.000 -0.773 0.000 1.172 106 A HN 0.758 nan 8.150 nan 0.000 0.481 107 Y N 1.818 121.894 120.300 -0.372 0.000 2.504 107 Y HA 0.398 4.948 4.550 -0.000 0.000 0.339 107 Y C 0.658 176.421 175.900 -0.229 0.000 0.974 107 Y CA 0.153 58.125 58.100 -0.214 0.000 1.232 107 Y CB 1.645 40.030 38.460 -0.125 0.000 1.108 107 Y HN 0.570 nan 8.280 nan 0.000 0.509 108 T N 3.743 118.242 114.554 -0.092 0.000 2.771 108 T HA 0.492 4.842 4.350 -0.000 0.000 0.281 108 T C -0.625 174.072 174.700 -0.005 0.000 0.982 108 T CA -0.505 61.554 62.100 -0.070 0.000 0.978 108 T CB 1.170 69.980 68.868 -0.096 0.000 0.930 108 T HN 0.264 nan 8.240 nan 0.000 0.447 109 V N 3.280 123.206 119.914 0.020 0.000 2.667 109 V HA 0.625 4.745 4.120 -0.000 0.000 0.308 109 V C -0.413 175.700 176.094 0.031 0.000 1.048 109 V CA -0.549 61.770 62.300 0.033 0.000 0.928 109 V CB 1.908 33.763 31.823 0.052 0.000 1.004 109 V HN 0.880 nan 8.190 nan 0.000 0.444 110 E N 3.839 124.056 120.200 0.028 0.000 2.311 110 E HA 0.611 4.961 4.350 -0.000 0.000 0.281 110 E C -1.519 175.095 176.600 0.024 0.000 0.905 110 E CA -0.366 56.050 56.400 0.026 0.000 0.778 110 E CB 1.939 31.651 29.700 0.020 0.000 1.240 110 E HN 0.975 nan 8.360 nan 0.000 0.410 111 C N 1.598 120.913 119.300 0.025 0.000 3.259 111 C HA 0.546 5.006 4.460 -0.000 0.000 0.344 111 C C -0.780 174.222 174.990 0.021 0.000 1.401 111 C CA -1.133 57.899 59.018 0.023 0.000 1.219 111 C CB -0.185 27.573 27.740 0.031 0.000 1.521 111 C HN 0.730 nan 8.230 nan 0.000 0.455 112 L N 2.268 123.502 121.223 0.019 0.000 2.467 112 L HA 0.326 4.666 4.340 -0.000 0.000 0.270 112 L C 2.310 179.191 176.870 0.018 0.000 1.205 112 L CA -0.201 54.650 54.840 0.018 0.000 0.828 112 L CB 0.296 42.365 42.059 0.016 0.000 1.101 112 L HN 1.008 nan 8.230 nan 0.000 0.479 113 R N 0.461 120.972 120.500 0.018 0.000 2.193 113 R HA -0.156 4.184 4.340 -0.000 0.000 0.229 113 R C 0.543 176.851 176.300 0.013 0.000 1.110 113 R CA 1.576 57.685 56.100 0.015 0.000 0.988 113 R CB -0.266 30.044 30.300 0.016 0.000 0.871 113 R HN 0.636 nan 8.270 nan 0.000 0.458 114 D N 1.196 121.605 120.400 0.014 0.000 2.264 114 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 114 D C 0.562 176.866 176.300 0.007 0.000 0.966 114 D CA 0.953 54.960 54.000 0.011 0.000 0.864 114 D CB -0.071 40.736 40.800 0.012 0.000 0.933 114 D HN 0.395 nan 8.370 nan 0.000 0.499 115 D N 0.055 120.461 120.400 0.010 0.000 2.398 115 D HA -0.008 4.632 4.640 -0.000 0.000 0.210 115 D C 2.238 178.543 176.300 0.009 0.000 1.094 115 D CA 0.076 54.083 54.000 0.011 0.000 0.839 115 D CB 0.943 41.756 40.800 0.023 0.000 0.963 115 D HN 0.110 nan 8.370 nan 0.000 0.506 116 V N -0.128 119.789 119.914 0.004 0.000 2.278 116 V HA -0.323 3.797 4.120 -0.000 0.000 0.251 116 V C 1.720 177.801 176.094 -0.021 0.000 1.062 116 V CA 1.900 64.200 62.300 -0.000 0.000 1.038 116 V CB -0.832 30.990 31.823 -0.002 0.000 0.646 116 V HN -0.094 nan 8.190 nan 0.000 0.447 117 D N 0.732 121.110 120.400 -0.037 0.000 2.133 117 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 117 D C 2.006 178.232 176.300 -0.123 0.000 0.997 117 D CA 2.074 56.031 54.000 -0.072 0.000 0.840 117 D CB -0.427 40.336 40.800 -0.062 0.000 0.947 117 D HN 0.559 nan 8.370 nan 0.000 0.452 118 I N -0.242 120.263 120.570 -0.109 0.000 2.179 118 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 118 I C 2.033 178.055 176.117 -0.158 0.000 1.088 118 I CA 0.724 61.912 61.300 -0.186 0.000 1.357 118 I CB -0.069 37.888 38.000 -0.073 0.000 1.051 118 I HN -0.016 nan 8.210 nan 0.000 0.409 119 L N -0.843 120.397 121.223 0.028 0.000 2.156 119 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 119 L C 2.384 179.293 176.870 0.065 0.000 1.095 119 L CA 1.202 56.129 54.840 0.145 0.000 0.770 119 L CB -0.444 41.685 42.059 0.117 0.000 0.914 119 L HN 0.238 nan 8.230 nan 0.000 0.439 120 M N -0.400 119.184 119.600 -0.026 0.000 2.086 120 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 120 M C 2.217 178.433 176.300 -0.140 0.000 1.067 120 M CA 1.765 57.024 55.300 -0.069 0.000 1.116 120 M CB -0.373 32.174 32.600 -0.089 0.000 1.348 120 M HN 0.227 nan 8.290 nan 0.000 0.407 121 E N -0.997 119.062 120.200 -0.236 0.000 2.085 121 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 121 E C 1.817 178.271 176.600 -0.242 0.000 0.994 121 E CA 1.472 57.666 56.400 -0.343 0.000 0.801 121 E CB -0.150 29.280 29.700 -0.449 0.000 0.743 121 E HN 0.514 nan 8.360 nan 0.000 0.453 122 F N 0.888 120.776 119.950 -0.103 0.000 2.113 122 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 122 F C 2.332 178.088 175.800 -0.073 0.000 1.103 122 F CA 0.735 58.689 58.000 -0.076 0.000 1.248 122 F CB -0.720 38.249 39.000 -0.053 0.000 0.999 122 F HN 0.096 nan 8.300 nan 0.000 0.475 123 L N -0.253 121.043 121.223 0.121 0.000 2.012 123 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 123 L C 2.227 179.077 176.870 -0.033 0.000 1.073 123 L CA 1.726 56.591 54.840 0.041 0.000 0.748 123 L CB -0.553 41.520 42.059 0.023 0.000 0.891 123 L HN 0.195 nan 8.230 nan 0.000 0.431 124 L N -0.572 120.607 121.223 -0.074 0.000 2.093 124 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 124 L C 2.104 178.929 176.870 -0.076 0.000 1.085 124 L CA 1.497 56.277 54.840 -0.100 0.000 0.755 124 L CB -0.569 41.366 42.059 -0.206 0.000 0.904 124 L HN 0.369 nan 8.230 nan 0.000 0.435 125 N N -0.604 118.056 118.700 -0.067 0.000 2.084 125 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 125 N C 1.833 177.316 175.510 -0.046 0.000 1.030 125 N CA 1.242 54.267 53.050 -0.041 0.000 0.849 125 N CB -0.084 38.404 38.487 0.001 0.000 1.012 125 N HN -0.013 nan 8.380 nan 0.000 0.423 126 V N 0.583 120.481 119.914 -0.027 0.000 2.392 126 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 126 V C 2.353 178.383 176.094 -0.107 0.000 1.059 126 V CA 2.247 64.520 62.300 -0.045 0.000 1.051 126 V CB -0.995 30.844 31.823 0.026 0.000 0.658 126 V HN 0.636 nan 8.190 nan 0.000 0.455 127 T N -3.153 111.318 114.554 -0.137 0.000 3.039 127 T HA -0.051 4.299 4.350 -0.000 0.000 0.250 127 T C 1.605 176.358 174.700 0.087 0.000 1.052 127 T CA 1.197 63.254 62.100 -0.072 0.000 1.125 127 T CB -0.024 68.705 68.868 -0.232 0.000 0.908 127 T HN 0.583 nan 8.240 nan 0.000 0.473 128 T N -1.614 112.950 114.554 0.017 0.000 2.959 128 T HA 0.625 4.975 4.350 -0.000 0.000 0.254 128 T C 1.098 175.803 174.700 0.009 0.000 1.003 128 T CA 0.181 62.307 62.100 0.045 0.000 0.950 128 T CB 0.213 69.121 68.868 0.067 0.000 1.090 128 T HN 0.444 nan 8.240 nan 0.000 0.503 129 A N 2.476 125.274 122.820 -0.037 0.000 2.806 129 A HA 0.576 4.896 4.320 -0.000 0.000 0.266 129 A C -2.875 174.625 177.584 -0.141 0.000 0.926 129 A CA -1.182 50.821 52.037 -0.057 0.000 1.068 129 A CB 0.441 19.426 19.000 -0.026 0.000 1.189 129 A HN 0.367 nan 8.150 nan 0.000 0.481 130 P HA 0.181 nan 4.420 nan 0.000 0.274 130 P C 0.107 177.075 177.300 -0.552 0.000 1.231 130 P CA 0.279 63.044 63.100 -0.559 0.000 0.790 130 P CB 1.464 32.535 31.700 -1.047 0.000 0.951 131 E N 0.509 120.408 120.200 -0.502 0.000 2.389 131 E HA 0.100 4.450 4.350 -0.000 0.000 0.199 131 E C -0.260 176.242 176.600 -0.163 0.000 0.978 131 E CA -0.111 56.160 56.400 -0.215 0.000 0.912 131 E CB -0.209 29.416 29.700 -0.123 0.000 0.907 131 E HN 0.295 nan 8.360 nan 0.000 0.494 132 F N 1.534 121.375 119.950 -0.181 0.000 2.694 132 F HA -0.263 4.264 4.527 -0.000 0.000 0.215 132 F C 0.107 175.766 175.800 -0.234 0.000 1.032 132 F CA 0.427 58.273 58.000 -0.257 0.000 0.871 132 F CB -1.892 36.835 39.000 -0.454 0.000 0.776 132 F HN -0.064 nan 8.300 nan 0.000 0.850 133 R N 1.004 121.372 120.500 -0.220 0.000 2.484 133 R HA 0.071 4.411 4.340 -0.000 0.000 0.293 133 R C 1.754 177.670 176.300 -0.641 0.000 1.023 133 R CA -0.108 55.634 56.100 -0.597 0.000 1.037 133 R CB 0.354 30.110 30.300 -0.906 0.000 0.951 133 R HN 0.480 nan 8.270 nan 0.000 0.418 134 R N 2.815 122.957 120.500 -0.596 0.000 2.191 134 R HA -0.266 4.074 4.340 -0.000 0.000 0.248 134 R C 1.576 177.793 176.300 -0.138 0.000 1.127 134 R CA 2.878 58.816 56.100 -0.270 0.000 0.943 134 R CB -0.225 30.014 30.300 -0.102 0.000 0.891 134 R HN 0.831 nan 8.270 nan 0.000 0.439 135 W N -0.059 121.263 121.300 0.037 0.000 2.436 135 W HA 0.079 4.739 4.660 -0.000 0.000 0.284 135 W C 1.505 178.039 176.519 0.025 0.000 1.225 135 W CA 0.547 57.907 57.345 0.025 0.000 1.271 135 W CB -0.415 29.058 29.460 0.020 0.000 1.114 135 W HN 0.074 nan 8.180 nan 0.000 0.559 136 E N 1.064 121.192 120.200 -0.120 0.000 2.072 136 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 136 E C 2.261 178.857 176.600 -0.008 0.000 0.985 136 E CA 1.645 58.042 56.400 -0.006 0.000 0.801 136 E CB -0.316 29.324 29.700 -0.100 0.000 0.750 136 E HN 0.210 nan 8.360 nan 0.000 0.452 137 V N 1.437 121.316 119.914 -0.058 0.000 2.358 137 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 137 V C 2.366 178.445 176.094 -0.025 0.000 1.047 137 V CA 1.715 63.991 62.300 -0.040 0.000 1.035 137 V CB -0.618 31.166 31.823 -0.065 0.000 0.658 137 V HN 0.276 nan 8.190 nan 0.000 0.452 138 A N 0.126 122.947 122.820 0.002 0.000 1.940 138 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 138 A C 2.369 179.971 177.584 0.029 0.000 1.176 138 A CA 2.132 54.183 52.037 0.023 0.000 0.631 138 A CB -0.734 18.302 19.000 0.061 0.000 0.814 138 A HN 0.587 nan 8.150 nan 0.000 0.446 139 A N -1.046 121.805 122.820 0.053 0.000 2.067 139 A HA 0.100 4.420 4.320 -0.000 0.000 0.219 139 A C 2.038 179.635 177.584 0.021 0.000 1.158 139 A CA 1.526 53.593 52.037 0.050 0.000 0.661 139 A CB -0.374 18.676 19.000 0.083 0.000 0.801 139 A HN 0.761 nan 8.150 nan 0.000 0.452 140 L N -1.051 120.174 121.223 0.004 0.000 2.416 140 L HA 0.016 4.356 4.340 -0.000 0.000 0.216 140 L C 2.182 179.022 176.870 -0.049 0.000 1.098 140 L CA 0.978 55.806 54.840 -0.019 0.000 0.840 140 L CB -0.349 41.698 42.059 -0.020 0.000 0.981 140 L HN 0.343 nan 8.230 nan 0.000 0.462 141 Q N 0.634 120.403 119.800 -0.052 0.000 2.096 141 Q HA -0.215 4.125 4.340 -0.000 0.000 0.208 141 Q C -0.277 175.683 176.000 -0.067 0.000 0.993 141 Q CA 2.330 58.089 55.803 -0.073 0.000 0.862 141 Q CB -1.980 26.722 28.738 -0.060 0.000 0.915 141 Q HN 0.456 nan 8.270 nan 0.000 0.416 142 P HA -0.169 nan 4.420 nan 0.000 0.220 142 P C 1.200 178.478 177.300 -0.037 0.000 1.144 142 P CA 1.293 64.374 63.100 -0.032 0.000 0.800 142 P CB -0.076 31.615 31.700 -0.016 0.000 0.772 143 Q N -0.584 119.187 119.800 -0.048 0.000 2.291 143 Q HA -0.083 4.257 4.340 -0.000 0.000 0.205 143 Q C 1.796 177.755 176.000 -0.068 0.000 0.970 143 Q CA 1.156 56.930 55.803 -0.047 0.000 0.876 143 Q CB -1.026 27.685 28.738 -0.045 0.000 0.935 143 Q HN 0.204 nan 8.270 nan 0.000 0.455 144 L N -0.534 120.613 121.223 -0.127 0.000 2.083 144 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 144 L C 2.543 179.407 176.870 -0.009 0.000 1.083 144 L CA 1.604 56.340 54.840 -0.173 0.000 0.752 144 L CB -0.385 41.531 42.059 -0.238 0.000 0.899 144 L HN 0.163 nan 8.230 nan 0.000 0.433 145 R N 0.507 120.993 120.500 -0.022 0.000 2.066 145 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 145 R C 2.311 178.607 176.300 -0.007 0.000 1.131 145 R CA 1.487 57.582 56.100 -0.009 0.000 0.955 145 R CB -0.227 30.062 30.300 -0.019 0.000 0.851 145 R HN 0.203 nan 8.270 nan 0.000 0.432 146 I N 0.754 121.319 120.570 -0.008 0.000 2.142 146 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 146 I C 2.073 178.194 176.117 0.006 0.000 1.078 146 I CA 1.799 63.095 61.300 -0.006 0.000 1.343 146 I CB -0.345 37.652 38.000 -0.005 0.000 1.046 146 I HN 0.268 nan 8.210 nan 0.000 0.405 147 D N 0.728 121.155 120.400 0.045 0.000 2.104 147 D HA -0.257 4.383 4.640 -0.000 0.000 0.194 147 D C 2.196 178.538 176.300 0.070 0.000 0.994 147 D CA 1.530 55.597 54.000 0.112 0.000 0.830 147 D CB -0.016 40.928 40.800 0.240 0.000 0.959 147 D HN 0.106 nan 8.370 nan 0.000 0.452 148 K N -0.314 120.131 120.400 0.075 0.000 2.002 148 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 148 K C 2.104 178.571 176.600 -0.222 0.000 1.048 148 K CA 1.208 57.411 56.287 -0.140 0.000 0.930 148 K CB -0.269 32.232 32.500 0.002 0.000 0.714 148 K HN 0.136 nan 8.250 nan 0.000 0.438 149 A N 0.663 123.414 122.820 -0.116 0.000 1.917 149 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 149 A C 2.246 179.759 177.584 -0.118 0.000 1.182 149 A CA 1.872 53.843 52.037 -0.111 0.000 0.633 149 A CB -0.720 18.240 19.000 -0.067 0.000 0.819 149 A HN 0.206 nan 8.150 nan 0.000 0.448 150 V N -0.520 119.336 119.914 -0.098 0.000 2.358 150 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 150 V C 3.034 179.059 176.094 -0.115 0.000 1.047 150 V CA 1.866 64.118 62.300 -0.079 0.000 1.035 150 V CB -1.077 30.722 31.823 -0.040 0.000 0.658 150 V HN 0.634 nan 8.190 nan 0.000 0.452 151 A N -0.452 122.248 122.820 -0.200 0.000 1.873 151 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 151 A C 1.970 179.394 177.584 -0.266 0.000 1.186 151 A CA 1.510 53.381 52.037 -0.278 0.000 0.616 151 A CB -0.546 18.089 19.000 -0.608 0.000 0.823 151 A HN 0.419 nan 8.150 nan 0.000 0.442 152 L N 0.570 121.605 121.223 -0.315 0.000 2.622 152 L HA -0.089 4.251 4.340 -0.000 0.000 0.233 152 L C 2.384 179.163 176.870 -0.153 0.000 1.156 152 L CA 1.595 56.291 54.840 -0.240 0.000 0.866 152 L CB -0.537 41.348 42.059 -0.291 0.000 0.980 152 L HN 0.744 nan 8.230 nan 0.000 0.448 153 Q N -1.624 118.102 119.800 -0.123 0.000 2.444 153 Q HA 0.024 4.364 4.340 -0.000 0.000 0.206 153 Q C -0.263 175.700 176.000 -0.063 0.000 0.948 153 Q CA 0.172 55.925 55.803 -0.083 0.000 0.946 153 Q CB -0.125 28.573 28.738 -0.066 0.000 1.027 153 Q HN 0.411 nan 8.270 nan 0.000 0.513 154 N N 2.270 120.932 118.700 -0.064 0.000 2.426 154 N HA 0.151 4.890 4.740 -0.000 0.000 0.257 154 N C -2.251 173.223 175.510 -0.061 0.000 1.002 154 N CA -1.497 51.529 53.050 -0.040 0.000 0.942 154 N CB 1.700 40.179 38.487 -0.013 0.000 1.112 154 N HN 0.025 nan 8.380 nan 0.000 0.499 155 P HA -0.129 nan 4.420 nan 0.000 0.219 155 P C 1.005 178.240 177.300 -0.108 0.000 1.146 155 P CA 1.327 64.275 63.100 -0.254 0.000 0.808 155 P CB 0.465 31.724 31.700 -0.735 0.000 0.779 156 Q N -0.390 119.423 119.800 0.023 0.000 2.124 156 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 156 Q C 2.282 178.378 176.000 0.160 0.000 0.977 156 Q CA 1.851 57.770 55.803 0.193 0.000 0.850 156 Q CB -1.084 27.704 28.738 0.083 0.000 0.901 156 Q HN 0.189 nan 8.270 nan 0.000 0.429 157 A N 0.544 123.424 122.820 0.100 0.000 1.851 157 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 157 A C 1.939 179.627 177.584 0.174 0.000 1.195 157 A CA 2.003 54.111 52.037 0.118 0.000 0.622 157 A CB -0.930 18.087 19.000 0.028 0.000 0.831 157 A HN 0.421 nan 8.150 nan 0.000 0.444 158 H N -0.397 118.682 119.070 0.016 0.000 2.387 158 H HA -0.055 4.501 4.556 -0.000 0.000 0.299 158 H C 1.979 177.334 175.328 0.044 0.000 1.090 158 H CA 1.546 57.606 56.048 0.019 0.000 1.332 158 H CB -0.363 29.386 29.762 -0.021 0.000 1.386 158 H HN 0.144 nan 8.280 nan 0.000 0.516 159 V N 0.292 120.252 119.914 0.077 0.000 2.261 159 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 159 V C 2.533 178.654 176.094 0.046 0.000 1.047 159 V CA 2.059 64.372 62.300 0.021 0.000 1.015 159 V CB -0.509 31.382 31.823 0.113 0.000 0.642 159 V HN 0.359 nan 8.190 nan 0.000 0.446 160 I N -0.474 120.188 120.570 0.154 0.000 2.493 160 I HA -0.145 4.025 4.170 -0.000 0.000 0.254 160 I C 2.532 178.829 176.117 0.300 0.000 1.160 160 I CA 1.061 62.492 61.300 0.218 0.000 1.445 160 I CB -0.331 37.843 38.000 0.291 0.000 1.086 160 I HN 0.347 nan 8.210 nan 0.000 0.433 161 E N 0.761 121.078 120.200 0.193 0.000 2.047 161 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 161 E C 1.731 178.392 176.600 0.101 0.000 0.987 161 E CA 1.239 57.739 56.400 0.168 0.000 0.799 161 E CB -0.381 29.443 29.700 0.207 0.000 0.752 161 E HN 0.632 nan 8.360 nan 0.000 0.449 162 N N 0.859 119.539 118.700 -0.034 0.000 2.244 162 N HA -0.065 4.675 4.740 -0.000 0.000 0.183 162 N C 2.040 177.522 175.510 -0.046 0.000 1.016 162 N CA 0.145 53.136 53.050 -0.099 0.000 0.866 162 N CB 0.064 38.411 38.487 -0.232 0.000 0.980 162 N HN 0.041 nan 8.380 nan 0.000 0.430 163 L N 0.489 121.697 121.223 -0.026 0.000 2.046 163 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 163 L C 1.727 178.547 176.870 -0.082 0.000 1.077 163 L CA 1.791 56.574 54.840 -0.095 0.000 0.747 163 L CB -0.342 41.623 42.059 -0.157 0.000 0.896 163 L HN 0.323 nan 8.230 nan 0.000 0.432 164 H N -1.091 118.025 119.070 0.077 0.000 2.395 164 H HA -0.001 4.555 4.556 -0.000 0.000 0.299 164 H C 2.161 177.573 175.328 0.139 0.000 1.070 164 H CA 1.226 57.376 56.048 0.170 0.000 1.356 164 H CB -0.001 29.853 29.762 0.153 0.000 1.401 164 H HN 0.394 nan 8.280 nan 0.000 0.524 165 A N 0.564 123.484 122.820 0.168 0.000 1.969 165 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 165 A C 2.400 180.011 177.584 0.045 0.000 1.169 165 A CA 1.415 53.510 52.037 0.097 0.000 0.635 165 A CB -0.748 18.290 19.000 0.063 0.000 0.810 165 A HN 0.460 nan 8.150 nan 0.000 0.445 166 A N -0.400 122.412 122.820 -0.014 0.000 1.930 166 A HA 0.359 4.679 4.320 -0.000 0.000 0.215 166 A C 2.437 179.920 177.584 -0.169 0.000 1.176 166 A CA 1.523 53.514 52.037 -0.076 0.000 0.632 166 A CB -0.804 18.124 19.000 -0.119 0.000 0.819 166 A HN 0.859 nan 8.150 nan 0.000 0.445 167 A N -1.121 121.556 122.820 -0.238 0.000 1.855 167 A HA 0.205 4.525 4.320 -0.000 0.000 0.215 167 A C 0.780 177.937 177.584 -0.712 0.000 1.191 167 A CA 0.757 52.449 52.037 -0.575 0.000 0.613 167 A CB -0.465 18.201 19.000 -0.556 0.000 0.829 167 A HN 0.476 nan 8.150 nan 0.000 0.442 168 Y N -1.002 119.244 120.300 -0.089 0.000 2.457 168 Y HA 0.471 5.021 4.550 -0.000 0.000 0.333 168 Y C 1.424 177.307 175.900 -0.029 0.000 1.119 168 Y CA -0.808 57.268 58.100 -0.040 0.000 1.143 168 Y CB 1.142 39.606 38.460 0.007 0.000 1.230 168 Y HN 0.274 nan 8.280 nan 0.000 0.469 169 R N -0.042 120.518 120.500 0.101 0.000 2.317 169 R HA 0.145 4.485 4.340 -0.000 0.000 0.208 169 R C -0.259 176.044 176.300 0.006 0.000 0.914 169 R CA 0.526 56.603 56.100 -0.039 0.000 1.060 169 R CB 0.079 30.273 30.300 -0.177 0.000 1.015 169 R HN 0.592 nan 8.270 nan 0.000 0.498 170 N N 0.685 119.422 118.700 0.061 0.000 2.599 170 N HA 0.255 4.995 4.740 -0.000 0.000 0.147 170 N C 0.797 176.296 175.510 -0.020 0.000 1.447 170 N CA 0.950 54.014 53.050 0.023 0.000 1.107 170 N CB 0.147 38.658 38.487 0.039 0.000 1.169 170 N HN 0.025 nan 8.380 nan 0.000 0.388 171 A N 0.285 123.051 122.820 -0.089 0.000 1.938 171 A HA 0.353 4.673 4.320 -0.000 0.000 0.207 171 A C 2.016 179.453 177.584 -0.246 0.000 1.292 171 A CA 0.263 52.200 52.037 -0.167 0.000 0.700 171 A CB -0.708 18.161 19.000 -0.220 0.000 0.947 171 A HN 0.323 nan 8.150 nan 0.000 0.476 172 L N 0.179 121.164 121.223 -0.397 0.000 2.465 172 L HA -0.059 4.281 4.340 -0.000 0.000 0.224 172 L C 2.740 179.518 176.870 -0.154 0.000 1.145 172 L CA 0.588 55.121 54.840 -0.511 0.000 0.834 172 L CB -0.320 41.086 42.059 -1.087 0.000 0.944 172 L HN 0.447 nan 8.230 nan 0.000 0.451 173 A N -0.329 122.490 122.820 -0.001 0.000 2.019 173 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 173 A C 1.094 178.710 177.584 0.054 0.000 1.164 173 A CA 0.684 52.794 52.037 0.123 0.000 0.644 173 A CB -0.517 18.553 19.000 0.116 0.000 0.805 173 A HN 0.392 nan 8.150 nan 0.000 0.449 174 N N 0.430 119.116 118.700 -0.023 0.000 2.307 174 N HA 0.062 4.802 4.740 -0.000 0.000 0.230 174 N C 0.927 176.415 175.510 -0.038 0.000 1.297 174 N CA 0.875 53.906 53.050 -0.032 0.000 0.884 174 N CB 0.493 38.940 38.487 -0.066 0.000 1.115 174 N HN 0.320 nan 8.380 nan 0.000 0.436 175 S N -0.068 115.618 115.700 -0.024 0.000 2.540 175 S HA 0.096 4.566 4.470 -0.000 0.000 0.218 175 S C 1.328 175.904 174.600 -0.040 0.000 0.977 175 S CA -0.360 57.846 58.200 0.010 0.000 0.918 175 S CB 0.067 63.302 63.200 0.058 0.000 0.806 175 S HN 0.511 nan 8.310 nan 0.000 0.496 176 L N -0.532 120.598 121.223 -0.156 0.000 5.147 176 L HA -0.309 4.031 4.340 -0.000 0.000 0.401 176 L C -0.634 175.828 176.870 -0.681 0.000 0.896 176 L CA 1.940 56.560 54.840 -0.367 0.000 2.095 176 L CB -0.973 40.855 42.059 -0.386 0.000 1.071 176 L HN 0.498 nan 8.230 nan 0.000 0.628 177 Y N -1.096 119.072 120.300 -0.221 0.000 2.387 177 Y HA 0.431 4.981 4.550 -0.000 0.000 0.336 177 Y C 0.706 176.593 175.900 -0.021 0.000 1.067 177 Y CA -0.429 57.485 58.100 -0.309 0.000 1.114 177 Y CB 1.104 39.432 38.460 -0.220 0.000 1.208 177 Y HN 0.165 nan 8.280 nan 0.000 0.458 178 C N 6.476 125.991 119.300 0.358 0.000 2.590 178 C HA 0.157 4.617 4.460 -0.000 0.000 0.411 178 C C -2.099 172.938 174.990 0.077 0.000 1.420 178 C CA -1.447 57.670 59.018 0.164 0.000 1.643 178 C CB -0.749 27.059 27.740 0.114 0.000 2.528 178 C HN 0.523 nan 8.230 nan 0.000 0.606 179 P HA 0.088 nan 4.420 nan 0.000 0.265 179 P C 0.443 177.700 177.300 -0.071 0.000 1.193 179 P CA 0.439 63.537 63.100 -0.004 0.000 0.765 179 P CB 0.495 32.183 31.700 -0.020 0.000 0.823 180 D N 1.835 122.259 120.400 0.039 0.000 2.149 180 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 180 D C 1.647 177.963 176.300 0.026 0.000 1.001 180 D CA 1.839 55.859 54.000 0.034 0.000 0.849 180 D CB -0.872 39.968 40.800 0.066 0.000 0.939 180 D HN 0.626 nan 8.370 nan 0.000 0.449 181 Y N -0.179 120.129 120.300 0.014 0.000 2.421 181 Y HA 0.064 4.614 4.550 -0.000 0.000 0.292 181 Y C 1.695 177.597 175.900 0.004 0.000 1.136 181 Y CA 0.746 58.852 58.100 0.008 0.000 1.255 181 Y CB -0.075 38.392 38.460 0.010 0.000 0.991 181 Y HN -0.214 nan 8.280 nan 0.000 0.552 182 R N 1.046 121.132 120.500 -0.689 0.000 2.300 182 R HA 0.270 4.610 4.340 -0.000 0.000 0.199 182 R C 0.021 176.176 176.300 -0.243 0.000 0.920 182 R CA -0.043 55.738 56.100 -0.531 0.000 1.046 182 R CB -0.097 29.816 30.300 -0.644 0.000 0.984 182 R HN 0.389 nan 8.270 nan 0.000 0.493 183 I N 0.904 121.376 120.570 -0.164 0.000 2.517 183 I HA 0.006 4.176 4.170 -0.000 0.000 0.285 183 I C 1.234 177.306 176.117 -0.075 0.000 1.106 183 I CA 0.804 62.042 61.300 -0.104 0.000 1.402 183 I CB 0.749 38.710 38.000 -0.066 0.000 1.399 183 I HN 0.379 nan 8.210 nan 0.000 0.535 184 G N 5.080 113.835 108.800 -0.076 0.000 2.176 184 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 184 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 184 G C 0.936 175.806 174.900 -0.050 0.000 0.979 184 G CA -0.022 45.047 45.100 -0.051 0.000 0.641 184 G HN 0.643 nan 8.290 nan 0.000 0.530 185 K N -0.451 119.905 120.400 -0.073 0.000 2.391 185 K HA 0.318 4.638 4.320 -0.000 0.000 0.197 185 K C 1.169 177.722 176.600 -0.078 0.000 1.087 185 K CA 0.515 56.765 56.287 -0.061 0.000 1.012 185 K CB 1.319 33.787 32.500 -0.053 0.000 0.925 185 K HN 0.610 nan 8.250 nan 0.000 0.547 186 V N 3.675 123.522 119.914 -0.112 0.000 2.479 186 V HA 0.056 4.176 4.120 -0.000 0.000 0.281 186 V C 0.027 176.048 176.094 -0.122 0.000 1.031 186 V CA 0.016 62.239 62.300 -0.129 0.000 1.038 186 V CB 0.323 32.044 31.823 -0.171 0.000 0.981 186 V HN 0.357 nan 8.190 nan 0.000 0.478 187 T N 4.830 119.321 114.554 -0.106 0.000 2.922 187 T HA 0.517 4.867 4.350 -0.000 0.000 0.285 187 T C -1.672 172.949 174.700 -0.130 0.000 1.005 187 T CA -1.620 60.428 62.100 -0.086 0.000 1.061 187 T CB 1.338 70.180 68.868 -0.042 0.000 1.007 187 T HN 0.496 nan 8.240 nan 0.000 0.502 188 P HA -0.171 nan 4.420 nan 0.000 0.216 188 P C 1.885 179.174 177.300 -0.019 0.000 1.154 188 P CA 0.970 64.018 63.100 -0.087 0.000 0.865 188 P CB -0.248 31.465 31.700 0.022 0.000 0.789 189 V N 0.103 120.050 119.914 0.055 0.000 2.332 189 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 189 V C 1.966 178.079 176.094 0.032 0.000 1.055 189 V CA 2.101 64.458 62.300 0.094 0.000 1.038 189 V CB -1.077 30.776 31.823 0.050 0.000 0.651 189 V HN 0.096 nan 8.190 nan 0.000 0.450 190 E N -0.048 120.124 120.200 -0.046 0.000 2.110 190 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 190 E C 2.147 178.673 176.600 -0.123 0.000 0.988 190 E CA 1.794 58.161 56.400 -0.056 0.000 0.804 190 E CB -0.243 29.412 29.700 -0.075 0.000 0.745 190 E HN 0.674 nan 8.360 nan 0.000 0.458 191 L N 0.134 121.144 121.223 -0.356 0.000 2.109 191 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 191 L C 2.468 179.026 176.870 -0.520 0.000 1.086 191 L CA 0.852 55.261 54.840 -0.719 0.000 0.760 191 L CB -0.474 40.622 42.059 -1.604 0.000 0.910 191 L HN 0.192 nan 8.230 nan 0.000 0.437 192 H N 0.171 119.126 119.070 -0.191 0.000 2.353 192 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 192 H C 1.745 177.087 175.328 0.023 0.000 1.090 192 H CA 1.665 57.760 56.048 0.078 0.000 1.327 192 H CB -0.010 29.812 29.762 0.100 0.000 1.383 192 H HN 0.335 nan 8.280 nan 0.000 0.508 193 D N -0.352 120.118 120.400 0.116 0.000 2.183 193 D HA -0.124 4.516 4.640 -0.000 0.000 0.203 193 D C 2.032 178.361 176.300 0.048 0.000 0.969 193 D CA 0.538 54.575 54.000 0.062 0.000 0.842 193 D CB -0.468 40.365 40.800 0.054 0.000 0.957 193 D HN 0.334 nan 8.370 nan 0.000 0.484 194 Y N 0.756 121.037 120.300 -0.032 0.000 2.242 194 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 194 Y C 2.164 178.081 175.900 0.028 0.000 1.137 194 Y CA 0.989 59.136 58.100 0.078 0.000 1.181 194 Y CB 0.041 38.511 38.460 0.017 0.000 0.989 194 Y HN -0.195 nan 8.280 nan 0.000 0.527 195 V N -0.509 119.380 119.914 -0.042 0.000 2.407 195 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 195 V C 2.055 178.090 176.094 -0.099 0.000 1.041 195 V CA 1.895 63.997 62.300 -0.330 0.000 1.040 195 V CB -0.542 31.070 31.823 -0.351 0.000 0.671 195 V HN 0.282 nan 8.190 nan 0.000 0.455 196 Q N 0.948 120.729 119.800 -0.032 0.000 2.124 196 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 196 Q C 1.847 177.796 176.000 -0.085 0.000 0.977 196 Q CA 1.909 57.699 55.803 -0.022 0.000 0.850 196 Q CB -0.183 28.554 28.738 -0.001 0.000 0.901 196 Q HN 0.912 nan 8.270 nan 0.000 0.429 197 N N -2.340 116.235 118.700 -0.209 0.000 2.236 197 N HA -0.014 4.726 4.740 -0.000 0.000 0.196 197 N C 0.247 175.395 175.510 -0.604 0.000 1.114 197 N CA 0.177 53.002 53.050 -0.375 0.000 0.859 197 N CB 0.352 38.615 38.487 -0.373 0.000 0.982 197 N HN 0.333 nan 8.380 nan 0.000 0.493 198 H N -1.057 117.952 119.070 -0.101 0.000 3.091 198 H HA 0.265 4.820 4.556 -0.000 0.000 0.249 198 H C -0.368 175.071 175.328 0.184 0.000 0.985 198 H CA -0.275 55.730 56.048 -0.072 0.000 1.177 198 H CB 0.328 29.953 29.762 -0.228 0.000 1.456 198 H HN 0.043 nan 8.280 nan 0.000 0.467 199 F N 3.333 123.296 119.950 0.022 0.000 2.752 199 F HA 0.212 4.739 4.527 -0.000 0.000 0.332 199 F C 0.702 176.499 175.800 -0.004 0.000 1.188 199 F CA -0.599 57.418 58.000 0.028 0.000 1.296 199 F CB -0.692 38.335 39.000 0.046 0.000 1.526 199 F HN -0.002 nan 8.300 nan 0.000 0.576 200 T N -4.247 110.377 114.554 0.118 0.000 2.932 200 T HA 0.338 4.688 4.350 -0.000 0.000 0.289 200 T C 1.361 176.073 174.700 0.021 0.000 1.039 200 T CA -0.586 61.544 62.100 0.050 0.000 1.024 200 T CB 1.742 70.616 68.868 0.010 0.000 1.090 200 T HN 0.029 nan 8.240 nan 0.000 0.496 201 S N 1.171 116.878 115.700 0.012 0.000 2.372 201 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 201 S C 2.364 176.962 174.600 -0.003 0.000 1.044 201 S CA 1.614 59.814 58.200 0.001 0.000 1.050 201 S CB -1.000 62.197 63.200 -0.005 0.000 0.901 201 S HN 0.986 nan 8.310 nan 0.000 0.447 202 A N 0.878 123.696 122.820 -0.004 0.000 2.168 202 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 202 A C 1.894 179.478 177.584 0.000 0.000 1.152 202 A CA 0.732 52.769 52.037 -0.001 0.000 0.716 202 A CB -0.218 18.781 19.000 -0.002 0.000 0.794 202 A HN 0.467 nan 8.150 nan 0.000 0.465 203 R N -1.683 118.813 120.500 -0.007 0.000 2.432 203 R HA 0.417 4.757 4.340 -0.000 0.000 0.260 203 R C -0.236 176.062 176.300 -0.003 0.000 0.935 203 R CA -0.043 56.049 56.100 -0.013 0.000 1.080 203 R CB 0.306 30.581 30.300 -0.041 0.000 1.155 203 R HN 0.418 nan 8.270 nan 0.000 0.531 204 M N 0.028 119.629 119.600 0.001 0.000 2.662 204 M HA 0.594 5.074 4.480 -0.000 0.000 0.310 204 M C -1.172 175.141 176.300 0.021 0.000 1.204 204 M CA -0.831 54.472 55.300 0.004 0.000 0.891 204 M CB 2.569 35.159 32.600 -0.016 0.000 1.732 204 M HN -0.030 nan 8.290 nan 0.000 0.467 205 A N 2.170 125.024 122.820 0.055 0.000 2.459 205 A HA 0.746 5.066 4.320 -0.000 0.000 0.296 205 A C -2.025 175.617 177.584 0.097 0.000 1.039 205 A CA -0.580 51.482 52.037 0.042 0.000 0.698 205 A CB 1.378 20.392 19.000 0.024 0.000 1.261 205 A HN 0.710 nan 8.150 nan 0.000 0.405 206 L N 4.274 125.518 121.223 0.035 0.000 2.280 206 L HA 0.637 4.977 4.340 -0.000 0.000 0.287 206 L C -1.025 175.877 176.870 0.054 0.000 1.023 206 L CA -0.331 54.544 54.840 0.058 0.000 0.819 206 L CB 0.759 42.823 42.059 0.008 0.000 1.212 206 L HN 0.544 nan 8.230 nan 0.000 0.420 207 I N 4.532 125.181 120.570 0.132 0.000 2.433 207 I HA 0.618 4.788 4.170 -0.000 0.000 0.292 207 I C 0.541 176.725 176.117 0.112 0.000 1.001 207 I CA -0.498 60.864 61.300 0.104 0.000 1.119 207 I CB 1.198 39.256 38.000 0.098 0.000 1.289 207 I HN 0.664 nan 8.210 nan 0.000 0.438 208 G N 5.822 114.673 108.800 0.085 0.000 2.495 208 G HA2 0.740 4.700 3.960 -0.000 0.000 0.318 208 G HA3 0.740 4.700 3.960 -0.000 0.000 0.318 208 G C -1.590 173.363 174.900 0.088 0.000 1.257 208 G CA -0.437 44.709 45.100 0.078 0.000 0.962 208 G HN 0.413 nan 8.290 nan 0.000 0.483 209 L N 1.102 122.371 121.223 0.078 0.000 2.439 209 L HA 0.603 4.943 4.340 -0.000 0.000 0.270 209 L C 0.833 177.716 176.870 0.021 0.000 0.972 209 L CA 0.503 55.383 54.840 0.068 0.000 0.836 209 L CB 2.196 44.323 42.059 0.113 0.000 1.255 209 L HN 1.154 nan 8.230 nan 0.000 0.404 210 G N 2.820 111.605 108.800 -0.025 0.000 2.176 210 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.252 210 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.252 210 G C -0.367 174.508 174.900 -0.041 0.000 1.024 210 G CA 0.216 45.285 45.100 -0.051 0.000 0.755 210 G HN 0.483 nan 8.290 nan 0.000 0.507 211 V N 0.067 119.962 119.914 -0.031 0.000 2.876 211 V HA 0.804 4.924 4.120 -0.000 0.000 0.312 211 V C 0.671 176.756 176.094 -0.014 0.000 1.085 211 V CA -0.433 61.858 62.300 -0.016 0.000 0.945 211 V CB 1.963 33.788 31.823 0.004 0.000 1.017 211 V HN 1.062 nan 8.190 nan 0.000 0.428 212 S N 0.966 116.662 115.700 -0.008 0.000 2.565 212 S HA 0.248 4.718 4.470 -0.000 0.000 0.274 212 S C 0.918 175.551 174.600 0.056 0.000 1.309 212 S CA 0.054 58.264 58.200 0.017 0.000 1.043 212 S CB 0.738 63.945 63.200 0.012 0.000 0.939 212 S HN 0.817 nan 8.310 nan 0.000 0.504 213 H N 4.111 123.169 119.070 -0.020 0.000 2.319 213 H HA 0.009 4.565 4.556 -0.000 0.000 0.297 213 H C -0.938 174.384 175.328 -0.010 0.000 1.097 213 H CA 2.687 58.726 56.048 -0.014 0.000 1.285 213 H CB -1.037 28.720 29.762 -0.009 0.000 1.368 213 H HN 0.598 nan 8.280 nan 0.000 0.495 214 P HA -0.167 nan 4.420 nan 0.000 0.217 214 P C 1.593 178.863 177.300 -0.049 0.000 1.148 214 P CA 1.386 64.474 63.100 -0.020 0.000 0.828 214 P CB 0.016 31.727 31.700 0.018 0.000 0.783 215 V N 0.051 119.943 119.914 -0.036 0.000 2.346 215 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 215 V C 2.754 178.819 176.094 -0.048 0.000 1.037 215 V CA 1.226 63.510 62.300 -0.027 0.000 1.029 215 V CB -1.065 30.752 31.823 -0.010 0.000 0.663 215 V HN 0.042 nan 8.190 nan 0.000 0.454 216 L N -0.053 121.117 121.223 -0.088 0.000 2.093 216 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 216 L C 2.565 179.337 176.870 -0.164 0.000 1.085 216 L CA 1.931 56.704 54.840 -0.112 0.000 0.755 216 L CB -0.484 41.503 42.059 -0.121 0.000 0.904 216 L HN 0.372 nan 8.230 nan 0.000 0.435 217 K N -0.213 120.025 120.400 -0.271 0.000 2.097 217 K HA -0.272 4.048 4.320 -0.000 0.000 0.205 217 K C 2.083 178.614 176.600 -0.115 0.000 1.050 217 K CA 1.464 57.608 56.287 -0.237 0.000 0.938 217 K CB 0.090 32.421 32.500 -0.280 0.000 0.718 217 K HN 0.123 nan 8.250 nan 0.000 0.442 218 Q N 0.568 120.321 119.800 -0.078 0.000 2.020 218 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 218 Q C 1.887 177.889 176.000 0.004 0.000 0.982 218 Q CA 2.500 58.283 55.803 -0.034 0.000 0.838 218 Q CB -0.236 28.496 28.738 -0.010 0.000 0.899 218 Q HN 0.285 nan 8.270 nan 0.000 0.423 219 V N -1.377 118.570 119.914 0.056 0.000 2.490 219 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 219 V C 2.192 178.375 176.094 0.147 0.000 1.061 219 V CA 1.723 64.139 62.300 0.193 0.000 1.064 219 V CB -1.627 30.294 31.823 0.163 0.000 0.670 219 V HN 0.408 nan 8.190 nan 0.000 0.461 220 A N 0.380 123.218 122.820 0.030 0.000 1.930 220 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 220 A C 2.184 179.750 177.584 -0.030 0.000 1.175 220 A CA 1.760 53.796 52.037 -0.002 0.000 0.627 220 A CB -0.541 18.429 19.000 -0.050 0.000 0.815 220 A HN 0.650 nan 8.150 nan 0.000 0.443 221 E N -0.879 119.286 120.200 -0.058 0.000 2.285 221 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 221 E C 2.136 178.649 176.600 -0.145 0.000 0.997 221 E CA 0.742 57.091 56.400 -0.085 0.000 0.845 221 E CB -0.011 29.642 29.700 -0.080 0.000 0.782 221 E HN 0.707 nan 8.360 nan 0.000 0.491 222 Q N -0.873 118.802 119.800 -0.209 0.000 2.200 222 Q HA 0.024 4.364 4.340 -0.000 0.000 0.197 222 Q C 1.058 176.653 176.000 -0.675 0.000 0.953 222 Q CA 0.859 56.352 55.803 -0.517 0.000 0.851 222 Q CB 0.350 28.647 28.738 -0.735 0.000 0.938 222 Q HN 0.242 nan 8.270 nan 0.000 0.488 223 F N -1.213 118.716 119.950 -0.034 0.000 2.724 223 F HA 0.212 4.739 4.527 -0.000 0.000 0.306 223 F C 1.250 177.034 175.800 -0.026 0.000 1.100 223 F CA 0.127 58.109 58.000 -0.030 0.000 1.255 223 F CB 0.690 39.670 39.000 -0.034 0.000 1.072 223 F HN -0.091 nan 8.300 nan 0.000 0.589 224 L N -0.192 121.087 121.223 0.093 0.000 2.769 224 L HA 0.208 4.548 4.340 -0.000 0.000 0.240 224 L C 0.214 177.093 176.870 0.015 0.000 1.163 224 L CA -0.087 54.786 54.840 0.055 0.000 0.962 224 L CB -0.152 41.932 42.059 0.042 0.000 1.258 224 L HN -0.052 nan 8.230 nan 0.000 0.513 225 N N 2.143 120.837 118.700 -0.010 0.000 2.605 225 N HA 0.167 4.907 4.740 -0.000 0.000 0.258 225 N C -0.863 174.642 175.510 -0.009 0.000 1.156 225 N CA 0.096 53.133 53.050 -0.021 0.000 1.008 225 N CB 0.192 38.652 38.487 -0.046 0.000 1.354 225 N HN 0.020 nan 8.380 nan 0.000 0.509 226 I N 2.645 123.218 120.570 0.005 0.000 2.436 226 I HA 0.433 4.603 4.170 -0.000 0.000 0.289 226 I C 0.425 176.545 176.117 0.005 0.000 1.010 226 I CA -0.909 60.399 61.300 0.013 0.000 1.098 226 I CB 1.375 39.398 38.000 0.040 0.000 1.266 226 I HN 0.452 nan 8.210 nan 0.000 0.434 227 R N 2.883 123.382 120.500 -0.003 0.000 3.067 227 R HA 0.857 5.197 4.340 -0.000 0.000 0.222 227 R C 0.632 176.922 176.300 -0.016 0.000 1.551 227 R CA -0.271 55.823 56.100 -0.010 0.000 1.034 227 R CB -0.429 29.863 30.300 -0.013 0.000 1.889 227 R HN 0.719 nan 8.270 nan 0.000 0.526 228 G N -0.877 107.909 108.800 -0.024 0.000 2.272 228 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.280 228 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.280 228 G C 0.159 175.028 174.900 -0.052 0.000 1.067 228 G CA 0.285 45.366 45.100 -0.032 0.000 0.902 228 G HN 0.852 nan 8.290 nan 0.000 0.500 229 G N -1.386 107.376 108.800 -0.063 0.000 3.135 229 G HA2 0.785 4.745 3.960 -0.000 0.000 0.159 229 G HA3 0.785 4.745 3.960 -0.000 0.000 0.159 229 G C 0.023 174.856 174.900 -0.112 0.000 1.244 229 G CA -0.942 44.092 45.100 -0.111 0.000 0.965 229 G HN 0.561 nan 8.290 nan 0.000 0.599 230 L N -0.326 120.809 121.223 -0.147 0.000 2.400 230 L HA 0.580 4.920 4.340 -0.000 0.000 0.264 230 L C 1.580 178.415 176.870 -0.059 0.000 1.061 230 L CA 0.093 54.875 54.840 -0.098 0.000 0.799 230 L CB 1.760 43.755 42.059 -0.105 0.000 1.240 230 L HN 0.667 nan 8.230 nan 0.000 0.461 231 G N 0.262 109.048 108.800 -0.023 0.000 2.549 231 G HA2 0.215 4.174 3.960 -0.000 0.000 0.219 231 G HA3 0.215 4.174 3.960 -0.000 0.000 0.219 231 G C 0.218 175.125 174.900 0.012 0.000 1.677 231 G CA -0.104 44.993 45.100 -0.004 0.000 0.929 231 G HN 0.360 nan 8.290 nan 0.000 0.549 232 L N -0.257 120.988 121.223 0.036 0.000 2.394 232 L HA 0.382 4.722 4.340 -0.000 0.000 0.229 232 L C 1.100 178.029 176.870 0.099 0.000 1.225 232 L CA -0.306 54.571 54.840 0.061 0.000 0.829 232 L CB -0.650 41.449 42.059 0.066 0.000 1.195 232 L HN 0.044 nan 8.230 nan 0.000 0.548 233 S N 0.403 116.184 115.700 0.135 0.000 3.544 233 S HA 0.420 4.890 4.470 -0.000 0.000 0.227 233 S C 0.704 175.491 174.600 0.311 0.000 1.387 233 S CA 0.450 58.791 58.200 0.235 0.000 1.182 233 S CB -1.811 61.498 63.200 0.183 0.000 1.243 233 S HN 1.188 nan 8.310 nan 0.000 0.467 234 G N 1.514 110.524 108.800 0.349 0.000 2.692 234 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.248 234 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.248 234 G C -0.017 174.974 174.900 0.151 0.000 1.340 234 G CA -0.642 44.648 45.100 0.317 0.000 0.896 234 G HN 1.021 nan 8.290 nan 0.000 0.570 235 A N -0.038 122.848 122.820 0.111 0.000 2.491 235 A HA 0.547 4.867 4.320 -0.000 0.000 0.261 235 A C 0.789 178.398 177.584 0.040 0.000 1.101 235 A CA 1.096 53.172 52.037 0.065 0.000 0.772 235 A CB 0.226 19.257 19.000 0.052 0.000 1.043 235 A HN 1.264 nan 8.150 nan 0.000 0.501 236 K N 2.695 123.125 120.400 0.049 0.000 2.437 236 K HA 0.188 4.508 4.320 -0.000 0.000 0.277 236 K C 0.521 177.147 176.600 0.044 0.000 1.073 236 K CA 0.913 57.229 56.287 0.049 0.000 1.105 236 K CB -0.043 32.494 32.500 0.061 0.000 0.881 236 K HN 0.805 nan 8.250 nan 0.000 0.475 237 A N 5.486 128.315 122.820 0.015 0.000 2.496 237 A HA 0.035 4.355 4.320 -0.000 0.000 0.278 237 A C -0.449 177.236 177.584 0.169 0.000 1.137 237 A CA 0.103 52.139 52.037 -0.000 0.000 0.805 237 A CB -0.239 18.641 19.000 -0.200 0.000 1.077 237 A HN 0.709 nan 8.150 nan 0.000 0.513 238 K N 2.488 123.005 120.400 0.196 0.000 2.284 238 K HA 0.217 4.537 4.320 -0.000 0.000 0.287 238 K C -0.606 176.204 176.600 0.350 0.000 1.081 238 K CA -0.054 56.371 56.287 0.231 0.000 0.910 238 K CB 0.607 33.184 32.500 0.128 0.000 1.088 238 K HN 0.684 nan 8.250 nan 0.000 0.478 239 Y N 3.109 123.541 120.300 0.219 0.000 2.359 239 Y HA -0.035 4.515 4.550 -0.000 0.000 0.330 239 Y C 1.133 177.070 175.900 0.062 0.000 1.143 239 Y CA 0.742 58.868 58.100 0.042 0.000 1.318 239 Y CB 0.461 38.898 38.460 -0.037 0.000 1.234 239 Y HN 0.722 nan 8.280 nan 0.000 0.522 240 H N 3.279 121.876 119.070 -0.788 0.000 2.089 240 H HA 0.341 4.897 4.556 -0.000 0.000 0.206 240 H C 0.569 175.523 175.328 -0.624 0.000 0.872 240 H CA 0.716 56.477 56.048 -0.479 0.000 0.979 240 H CB 0.748 30.336 29.762 -0.290 0.000 1.266 240 H HN 0.911 nan 8.280 nan 0.000 0.389 241 G N 0.142 108.260 108.800 -1.137 0.000 2.730 241 G HA2 0.297 4.257 3.960 -0.000 0.000 0.686 241 G HA3 0.297 4.257 3.960 -0.000 0.000 0.686 241 G C 0.069 174.520 174.900 -0.748 0.000 1.343 241 G CA -0.032 44.569 45.100 -0.831 0.000 0.826 241 G HN 1.270 nan 8.290 nan 0.000 0.582 242 G N -0.436 108.108 108.800 -0.426 0.000 2.369 242 G HA2 0.691 4.650 3.960 -0.000 0.000 0.295 242 G HA3 0.691 4.650 3.960 -0.000 0.000 0.295 242 G C -0.853 173.938 174.900 -0.181 0.000 1.298 242 G CA 0.676 45.605 45.100 -0.285 0.000 0.940 242 G HN 2.228 nan 8.290 nan 0.000 0.536 243 E N -0.832 119.303 120.200 -0.109 0.000 2.290 243 E HA 0.655 5.005 4.350 -0.000 0.000 0.274 243 E C -1.196 175.359 176.600 -0.074 0.000 0.889 243 E CA -1.037 55.305 56.400 -0.096 0.000 0.760 243 E CB 2.351 32.007 29.700 -0.072 0.000 1.206 243 E HN 0.561 nan 8.360 nan 0.000 0.419 244 I N 2.574 123.082 120.570 -0.103 0.000 2.404 244 I HA 0.442 4.612 4.170 -0.000 0.000 0.293 244 I C -0.076 175.966 176.117 -0.125 0.000 0.992 244 I CA -0.916 60.327 61.300 -0.095 0.000 1.149 244 I CB 1.562 39.503 38.000 -0.099 0.000 1.315 244 I HN 0.385 nan 8.210 nan 0.000 0.446 245 R N 4.696 125.134 120.500 -0.103 0.000 2.534 245 R HA 0.418 4.758 4.340 -0.000 0.000 0.301 245 R C -0.744 175.507 176.300 -0.083 0.000 0.961 245 R CA -0.701 55.324 56.100 -0.125 0.000 0.871 245 R CB 2.549 32.757 30.300 -0.154 0.000 1.170 245 R HN 0.552 nan 8.270 nan 0.000 0.446 246 E N 2.742 122.894 120.200 -0.080 0.000 2.331 246 E HA 0.070 4.420 4.350 -0.000 0.000 0.243 246 E C -0.865 175.720 176.600 -0.025 0.000 0.925 246 E CA -0.633 55.747 56.400 -0.034 0.000 0.760 246 E CB 1.251 30.942 29.700 -0.015 0.000 1.254 246 E HN 0.276 nan 8.360 nan 0.000 0.419 247 Q N 2.479 122.268 119.800 -0.019 0.000 2.255 247 Q HA 0.052 4.392 4.340 -0.000 0.000 0.280 247 Q C 0.024 176.025 176.000 0.001 0.000 1.068 247 Q CA 0.533 56.328 55.803 -0.013 0.000 0.911 247 Q CB 0.748 29.481 28.738 -0.009 0.000 1.157 247 Q HN 0.567 nan 8.270 nan 0.000 0.380 248 N N 1.199 119.900 118.700 0.002 0.000 2.486 248 N HA 0.014 4.754 4.740 -0.000 0.000 0.242 248 N C -0.079 175.436 175.510 0.009 0.000 1.083 248 N CA 0.943 53.998 53.050 0.008 0.000 0.844 248 N CB 0.639 39.132 38.487 0.010 0.000 1.527 248 N HN 0.757 nan 8.380 nan 0.000 0.462 249 G N 2.285 111.092 108.800 0.011 0.000 2.374 249 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.289 249 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.289 249 G C -0.407 174.504 174.900 0.018 0.000 1.004 249 G CA 0.737 45.846 45.100 0.016 0.000 1.292 249 G HN 0.429 nan 8.290 nan 0.000 0.502 250 D N -0.066 120.350 120.400 0.027 0.000 2.623 250 D HA 0.402 5.042 4.640 -0.000 0.000 0.252 250 D C 1.718 178.049 176.300 0.052 0.000 1.294 250 D CA 1.447 55.465 54.000 0.031 0.000 0.824 250 D CB -0.056 40.757 40.800 0.023 0.000 1.070 250 D HN 1.032 nan 8.370 nan 0.000 0.487 251 S N -1.539 114.190 115.700 0.047 0.000 1.728 251 S HA -0.333 4.137 4.470 -0.000 0.000 0.226 251 S C 0.408 175.047 174.600 0.066 0.000 0.868 251 S CA 1.326 59.558 58.200 0.053 0.000 1.531 251 S CB -1.467 61.763 63.200 0.050 0.000 2.005 251 S HN 0.299 nan 8.310 nan 0.000 0.534 252 L N 1.581 122.861 121.223 0.096 0.000 2.334 252 L HA 0.837 5.177 4.340 -0.000 0.000 0.270 252 L C -0.184 176.774 176.870 0.147 0.000 1.018 252 L CA -1.176 53.730 54.840 0.111 0.000 0.811 252 L CB 1.790 43.927 42.059 0.129 0.000 1.271 252 L HN 0.251 nan 8.230 nan 0.000 0.443 253 V N 0.823 120.799 119.914 0.103 0.000 2.370 253 V HA 0.275 4.395 4.120 -0.000 0.000 0.279 253 V C -0.201 175.942 176.094 0.081 0.000 1.029 253 V CA -0.484 61.870 62.300 0.090 0.000 0.870 253 V CB 0.807 32.644 31.823 0.023 0.000 0.984 253 V HN 0.556 nan 8.190 nan 0.000 0.451 254 H N 3.606 122.655 119.070 -0.035 0.000 2.517 254 H HA 0.717 5.273 4.556 -0.000 0.000 0.317 254 H C -0.042 175.121 175.328 -0.275 0.000 1.080 254 H CA -0.201 55.789 56.048 -0.098 0.000 1.301 254 H CB 1.933 31.712 29.762 0.030 0.000 1.425 254 H HN 0.764 nan 8.280 nan 0.000 0.471 255 A N 2.334 124.910 122.820 -0.407 0.000 2.486 255 A HA 0.682 5.002 4.320 -0.000 0.000 0.300 255 A C -1.230 175.958 177.584 -0.660 0.000 1.048 255 A CA -0.532 51.252 52.037 -0.422 0.000 0.696 255 A CB 1.566 20.432 19.000 -0.222 0.000 1.278 255 A HN 0.721 nan 8.150 nan 0.000 0.405 256 A N 2.191 124.677 122.820 -0.556 0.000 2.335 256 A HA 0.679 4.999 4.320 -0.000 0.000 0.304 256 A C -0.964 176.338 177.584 -0.470 0.000 1.118 256 A CA -0.301 51.415 52.037 -0.534 0.000 0.757 256 A CB 0.736 19.420 19.000 -0.528 0.000 1.188 256 A HN 0.958 nan 8.150 nan 0.000 0.460 257 L N 3.341 124.181 121.223 -0.639 0.000 2.309 257 L HA 0.775 5.115 4.340 -0.000 0.000 0.282 257 L C -1.105 175.484 176.870 -0.468 0.000 1.036 257 L CA -0.553 53.893 54.840 -0.657 0.000 0.806 257 L CB 1.616 43.045 42.059 -1.050 0.000 1.220 257 L HN 0.525 nan 8.230 nan 0.000 0.429 258 V N 3.217 123.025 119.914 -0.177 0.000 3.048 258 V HA 0.809 4.929 4.120 -0.000 0.000 0.303 258 V C -0.802 175.369 176.094 0.130 0.000 1.214 258 V CA -0.434 61.891 62.300 0.042 0.000 0.984 258 V CB 2.234 34.022 31.823 -0.059 0.000 1.054 258 V HN 0.912 nan 8.190 nan 0.000 0.430 259 A N 2.705 125.687 122.820 0.269 0.000 2.485 259 A HA 0.799 5.119 4.320 -0.000 0.000 0.292 259 A C -0.565 176.970 177.584 -0.082 0.000 1.147 259 A CA -0.648 51.436 52.037 0.078 0.000 0.750 259 A CB 1.552 20.573 19.000 0.035 0.000 1.331 259 A HN 0.773 nan 8.150 nan 0.000 0.419 260 E N 0.333 120.247 120.200 -0.477 0.000 2.376 260 E HA 0.277 4.627 4.350 -0.000 0.000 0.266 260 E C 0.565 176.993 176.600 -0.287 0.000 1.009 260 E CA 0.547 56.609 56.400 -0.563 0.000 0.902 260 E CB 0.552 29.691 29.700 -0.935 0.000 0.972 260 E HN 0.720 nan 8.360 nan 0.000 0.439 261 S N 3.177 118.680 115.700 -0.329 0.000 3.446 261 S HA 0.685 5.155 4.470 -0.000 0.000 0.177 261 S C -0.045 174.384 174.600 -0.284 0.000 0.834 261 S CA -0.180 57.626 58.200 -0.657 0.000 1.201 261 S CB 0.438 62.835 63.200 -1.339 0.000 0.765 261 S HN 0.510 nan 8.310 nan 0.000 0.761 262 A N 0.191 122.870 122.820 -0.235 0.000 2.475 262 A HA 0.863 5.183 4.320 -0.000 0.000 0.301 262 A C -0.408 177.182 177.584 0.009 0.000 1.059 262 A CA -0.506 51.529 52.037 -0.004 0.000 0.710 262 A CB 1.103 20.185 19.000 0.136 0.000 1.288 262 A HN 1.297 nan 8.150 nan 0.000 0.408 263 A N 1.123 123.971 122.820 0.046 0.000 2.425 263 A HA 0.533 4.853 4.320 -0.000 0.000 0.249 263 A C 0.360 177.964 177.584 0.033 0.000 1.084 263 A CA -0.214 51.856 52.037 0.055 0.000 0.781 263 A CB -0.148 18.893 19.000 0.068 0.000 1.019 263 A HN 1.231 nan 8.150 nan 0.000 0.490 264 I N 1.794 122.375 120.570 0.018 0.000 2.880 264 I HA 0.237 4.407 4.170 -0.000 0.000 0.296 264 I C 1.464 177.584 176.117 0.004 0.000 1.220 264 I CA 2.218 63.516 61.300 -0.002 0.000 1.435 264 I CB 0.509 38.498 38.000 -0.018 0.000 1.339 264 I HN 1.209 nan 8.210 nan 0.000 0.583 265 G N 3.935 112.728 108.800 -0.012 0.000 2.358 265 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.224 265 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.224 265 G C 0.390 175.280 174.900 -0.016 0.000 1.073 265 G CA 0.177 45.265 45.100 -0.021 0.000 0.635 265 G HN 1.099 nan 8.290 nan 0.000 0.509 266 S N 1.134 116.836 115.700 0.003 0.000 2.573 266 S HA 0.605 5.075 4.470 -0.000 0.000 0.277 266 S C 1.780 176.383 174.600 0.004 0.000 1.346 266 S CA 0.671 58.877 58.200 0.010 0.000 1.034 266 S CB 1.562 64.780 63.200 0.030 0.000 0.879 266 S HN 1.867 nan 8.310 nan 0.000 0.528 267 A N 1.092 123.911 122.820 -0.003 0.000 1.940 267 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 267 A C 2.142 179.724 177.584 -0.003 0.000 1.176 267 A CA 1.759 53.788 52.037 -0.014 0.000 0.631 267 A CB -1.116 17.872 19.000 -0.020 0.000 0.814 267 A HN 1.012 nan 8.150 nan 0.000 0.446 268 E N -0.299 119.917 120.200 0.026 0.000 2.153 268 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 268 E C 2.137 178.824 176.600 0.145 0.000 0.988 268 E CA 0.840 57.277 56.400 0.061 0.000 0.811 268 E CB -0.230 29.537 29.700 0.111 0.000 0.746 268 E HN 0.582 nan 8.360 nan 0.000 0.466 269 A N 1.489 124.384 122.820 0.125 0.000 1.908 269 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 269 A C 1.907 179.552 177.584 0.101 0.000 1.181 269 A CA 1.638 53.754 52.037 0.133 0.000 0.627 269 A CB -0.673 18.359 19.000 0.054 0.000 0.818 269 A HN 0.317 nan 8.150 nan 0.000 0.445 270 N N 0.230 118.947 118.700 0.029 0.000 2.166 270 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 270 N C 1.988 177.484 175.510 -0.022 0.000 1.019 270 N CA 1.297 54.342 53.050 -0.008 0.000 0.856 270 N CB -0.289 38.172 38.487 -0.043 0.000 0.993 270 N HN 0.510 nan 8.380 nan 0.000 0.426 271 A N 0.952 123.735 122.820 -0.061 0.000 1.933 271 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 271 A C 1.879 179.303 177.584 -0.266 0.000 1.175 271 A CA 1.061 52.996 52.037 -0.170 0.000 0.628 271 A CB -0.749 18.107 19.000 -0.241 0.000 0.814 271 A HN 0.145 nan 8.150 nan 0.000 0.444 272 F N 0.211 120.056 119.950 -0.174 0.000 2.186 272 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 272 F C 2.846 178.545 175.800 -0.169 0.000 1.090 272 F CA 1.495 59.307 58.000 -0.312 0.000 1.307 272 F CB -0.427 38.412 39.000 -0.268 0.000 1.019 272 F HN 0.154 nan 8.300 nan 0.000 0.489 273 S N -0.507 115.276 115.700 0.138 0.000 2.383 273 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 273 S C 2.252 176.970 174.600 0.196 0.000 1.026 273 S CA 1.055 59.359 58.200 0.173 0.000 0.981 273 S CB -0.306 62.968 63.200 0.123 0.000 0.818 273 S HN 0.106 nan 8.310 nan 0.000 0.472 274 V N 1.460 121.422 119.914 0.080 0.000 2.379 274 V HA -0.077 4.043 4.120 -0.000 0.000 0.245 274 V C 2.192 178.329 176.094 0.071 0.000 1.044 274 V CA 1.267 63.609 62.300 0.069 0.000 1.036 274 V CB -0.553 31.263 31.823 -0.012 0.000 0.664 274 V HN 0.389 nan 8.190 nan 0.000 0.453 275 L N 0.247 121.452 121.223 -0.030 0.000 2.083 275 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 275 L C 2.506 179.477 176.870 0.168 0.000 1.083 275 L CA 2.093 56.907 54.840 -0.044 0.000 0.752 275 L CB -0.783 41.074 42.059 -0.337 0.000 0.899 275 L HN 0.399 nan 8.230 nan 0.000 0.433 276 Q N -1.446 118.526 119.800 0.287 0.000 2.135 276 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 276 Q C 1.891 177.930 176.000 0.065 0.000 0.981 276 Q CA 1.768 57.782 55.803 0.352 0.000 0.856 276 Q CB -0.198 28.731 28.738 0.318 0.000 0.902 276 Q HN 0.673 nan 8.270 nan 0.000 0.425 277 H N -0.904 118.254 119.070 0.148 0.000 2.535 277 H HA 0.025 4.581 4.556 -0.000 0.000 0.273 277 H C 2.112 177.484 175.328 0.075 0.000 0.983 277 H CA 0.772 56.882 56.048 0.104 0.000 1.238 277 H CB 0.604 30.416 29.762 0.084 0.000 1.412 277 H HN 0.128 nan 8.280 nan 0.000 0.562 278 V N 0.996 121.004 119.914 0.156 0.000 2.283 278 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 278 V C 2.593 178.744 176.094 0.094 0.000 1.039 278 V CA 1.239 63.599 62.300 0.099 0.000 1.016 278 V CB -0.378 31.486 31.823 0.068 0.000 0.650 278 V HN 0.234 nan 8.190 nan 0.000 0.449 279 L N -0.220 121.075 121.223 0.120 0.000 2.072 279 L HA 0.265 4.605 4.340 -0.000 0.000 0.205 279 L C 1.054 177.982 176.870 0.096 0.000 1.079 279 L CA 1.233 56.142 54.840 0.115 0.000 0.752 279 L CB -0.408 41.749 42.059 0.164 0.000 0.906 279 L HN 0.554 nan 8.230 nan 0.000 0.436 280 G N -1.060 107.787 108.800 0.079 0.000 3.162 280 G HA2 0.269 4.229 3.960 -0.000 0.000 0.599 280 G HA3 0.269 4.229 3.960 -0.000 0.000 0.599 280 G C -0.566 174.352 174.900 0.030 0.000 1.335 280 G CA -0.497 44.639 45.100 0.059 0.000 1.091 280 G HN 0.296 nan 8.290 nan 0.000 0.570 281 A N 1.768 124.564 122.820 -0.041 0.000 3.453 281 A HA 1.001 5.321 4.320 -0.000 0.000 0.159 281 A C 1.643 179.256 177.584 0.048 0.000 1.974 281 A CA 0.696 52.703 52.037 -0.050 0.000 1.121 281 A CB -0.451 18.417 19.000 -0.220 0.000 1.879 281 A HN 2.376 nan 8.150 nan 0.000 0.752 282 G N -0.289 108.545 108.800 0.057 0.000 2.699 282 G HA2 0.435 4.395 3.960 -0.000 0.000 0.246 282 G HA3 0.435 4.395 3.960 -0.000 0.000 0.246 282 G C -2.032 172.940 174.900 0.120 0.000 1.219 282 G CA -0.305 44.835 45.100 0.067 0.000 0.866 282 G HN 0.581 nan 8.290 nan 0.000 0.572 283 P HA 0.181 nan 4.420 nan 0.000 0.274 283 P C -0.174 177.210 177.300 0.139 0.000 1.256 283 P CA -0.144 62.999 63.100 0.072 0.000 0.795 283 P CB 1.247 32.940 31.700 -0.012 0.000 1.038 284 H N -1.598 117.453 119.070 -0.031 0.000 2.926 284 H HA 0.210 4.766 4.556 -0.000 0.000 0.249 284 H C -0.146 175.169 175.328 -0.021 0.000 0.963 284 H CA 0.172 56.212 56.048 -0.012 0.000 1.158 284 H CB 1.255 31.016 29.762 -0.001 0.000 1.445 284 H HN 0.056 nan 8.280 nan 0.000 0.452 285 V N 2.689 122.651 119.914 0.080 0.000 2.417 285 V HA 0.115 4.235 4.120 -0.000 0.000 0.291 285 V C 0.290 176.380 176.094 -0.007 0.000 1.024 285 V CA -0.953 61.362 62.300 0.025 0.000 0.861 285 V CB 2.345 34.175 31.823 0.011 0.000 0.985 285 V HN 0.111 nan 8.190 nan 0.000 0.436 286 K N 4.919 125.313 120.400 -0.009 0.000 2.395 286 K HA 0.148 4.468 4.320 -0.000 0.000 0.283 286 K C 0.109 176.696 176.600 -0.022 0.000 1.068 286 K CA 0.141 56.419 56.287 -0.016 0.000 1.039 286 K CB -0.163 32.330 32.500 -0.012 0.000 0.924 286 K HN 0.651 nan 8.250 nan 0.000 0.468 287 R N 0.993 121.474 120.500 -0.032 0.000 2.855 287 R HA -0.160 4.180 4.340 -0.000 0.000 0.288 287 R C -0.247 176.023 176.300 -0.049 0.000 0.942 287 R CA 0.510 56.587 56.100 -0.038 0.000 0.705 287 R CB -1.501 28.785 30.300 -0.024 0.000 1.791 287 R HN 0.859 nan 8.270 nan 0.000 0.478 288 G N -0.549 108.202 108.800 -0.081 0.000 2.563 288 G HA2 0.415 4.375 3.960 -0.000 0.000 0.302 288 G HA3 0.415 4.375 3.960 -0.000 0.000 0.302 288 G C 0.669 175.466 174.900 -0.172 0.000 1.301 288 G CA -0.184 44.858 45.100 -0.097 0.000 0.965 288 G HN 0.279 nan 8.290 nan 0.000 0.480 289 S N 0.098 115.714 115.700 -0.140 0.000 2.515 289 S HA -0.068 4.402 4.470 -0.000 0.000 0.231 289 S C 0.821 175.244 174.600 -0.294 0.000 0.987 289 S CA 0.666 58.769 58.200 -0.162 0.000 0.936 289 S CB -0.566 62.610 63.200 -0.040 0.000 0.766 289 S HN 0.912 nan 8.310 nan 0.000 0.528 290 N N 1.027 119.566 118.700 -0.268 0.000 2.681 290 N HA -0.162 4.578 4.740 -0.000 0.000 0.259 290 N C 0.587 176.028 175.510 -0.115 0.000 1.066 290 N CA 0.528 53.431 53.050 -0.244 0.000 0.717 290 N CB -1.577 36.653 38.487 -0.427 0.000 0.885 290 N HN 0.536 nan 8.380 nan 0.000 0.547 291 A N 0.208 122.988 122.820 -0.066 0.000 1.940 291 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 291 A C 2.324 179.903 177.584 -0.008 0.000 1.176 291 A CA 2.014 54.041 52.037 -0.018 0.000 0.631 291 A CB -0.587 18.403 19.000 -0.017 0.000 0.814 291 A HN 0.759 nan 8.150 nan 0.000 0.446 292 T N -3.544 110.990 114.554 -0.034 0.000 3.107 292 T HA 0.204 4.554 4.350 -0.000 0.000 0.249 292 T C 0.766 175.463 174.700 -0.004 0.000 1.096 292 T CA 0.653 62.737 62.100 -0.026 0.000 1.012 292 T CB -0.249 68.583 68.868 -0.060 0.000 0.977 292 T HN 0.185 nan 8.240 nan 0.000 0.527 293 S N 1.380 117.087 115.700 0.011 0.000 2.416 293 S HA 0.338 4.808 4.470 -0.000 0.000 0.302 293 S C 1.454 176.120 174.600 0.109 0.000 1.120 293 S CA -0.393 57.845 58.200 0.064 0.000 1.067 293 S CB 0.145 63.393 63.200 0.079 0.000 1.057 293 S HN 0.435 nan 8.310 nan 0.000 0.518 294 S N 4.358 120.107 115.700 0.082 0.000 2.365 294 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 294 S C 1.711 176.354 174.600 0.070 0.000 1.039 294 S CA 1.525 59.767 58.200 0.070 0.000 1.033 294 S CB -0.338 62.897 63.200 0.057 0.000 0.887 294 S HN 0.788 nan 8.310 nan 0.000 0.447 295 L N -0.842 120.428 121.223 0.078 0.000 2.072 295 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 295 L C 2.270 179.186 176.870 0.078 0.000 1.079 295 L CA 1.469 56.325 54.840 0.027 0.000 0.752 295 L CB -0.582 41.479 42.059 0.004 0.000 0.906 295 L HN 0.354 nan 8.230 nan 0.000 0.436 296 Y N 0.694 121.047 120.300 0.088 0.000 2.145 296 Y HA -0.294 4.256 4.550 -0.000 0.000 0.286 296 Y C 2.838 178.855 175.900 0.196 0.000 1.145 296 Y CA 1.597 59.824 58.100 0.213 0.000 1.148 296 Y CB -0.004 38.547 38.460 0.152 0.000 0.981 296 Y HN 0.180 nan 8.280 nan 0.000 0.507 297 Q N -0.347 119.635 119.800 0.302 0.000 2.124 297 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 297 Q C 2.514 178.554 176.000 0.066 0.000 0.977 297 Q CA 1.334 57.249 55.803 0.188 0.000 0.850 297 Q CB -0.920 27.895 28.738 0.127 0.000 0.901 297 Q HN 0.586 nan 8.270 nan 0.000 0.429 298 A N 0.310 123.136 122.820 0.010 0.000 1.898 298 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 298 A C 2.442 179.926 177.584 -0.167 0.000 1.181 298 A CA 1.469 53.466 52.037 -0.066 0.000 0.620 298 A CB -0.544 18.413 19.000 -0.072 0.000 0.819 298 A HN 0.202 nan 8.150 nan 0.000 0.442 299 V N -0.217 119.530 119.914 -0.278 0.000 2.283 299 V HA -0.181 3.939 4.120 -0.000 0.000 0.243 299 V C 3.053 178.794 176.094 -0.589 0.000 1.039 299 V CA 1.772 63.724 62.300 -0.582 0.000 1.016 299 V CB -1.265 29.935 31.823 -1.038 0.000 0.650 299 V HN 0.586 nan 8.190 nan 0.000 0.449 300 A N -0.419 122.208 122.820 -0.322 0.000 1.978 300 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 300 A C 2.302 179.842 177.584 -0.073 0.000 1.170 300 A CA 2.262 54.294 52.037 -0.009 0.000 0.636 300 A CB -0.549 18.645 19.000 0.323 0.000 0.810 300 A HN 0.531 nan 8.150 nan 0.000 0.448 301 K N -1.132 119.225 120.400 -0.071 0.000 2.063 301 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 301 K C 1.818 178.348 176.600 -0.116 0.000 1.048 301 K CA 1.524 57.785 56.287 -0.043 0.000 0.928 301 K CB -0.350 32.129 32.500 -0.034 0.000 0.713 301 K HN 0.458 nan 8.250 nan 0.000 0.442 302 G N -0.682 107.979 108.800 -0.232 0.000 2.796 302 G HA2 0.134 4.094 3.960 -0.000 0.000 0.210 302 G HA3 0.134 4.094 3.960 -0.000 0.000 0.210 302 G C -0.194 174.428 174.900 -0.463 0.000 1.146 302 G CA -0.174 44.767 45.100 -0.265 0.000 0.779 302 G HN 0.080 nan 8.290 nan 0.000 0.535 303 V N 1.102 120.652 119.914 -0.606 0.000 2.540 303 V HA 0.405 4.525 4.120 -0.000 0.000 0.302 303 V C 0.002 175.773 176.094 -0.539 0.000 1.035 303 V CA -0.794 61.164 62.300 -0.570 0.000 0.873 303 V CB 1.626 33.128 31.823 -0.535 0.000 0.992 303 V HN 0.322 nan 8.190 nan 0.000 0.428 304 H N 1.791 120.884 119.070 0.038 0.000 2.874 304 H HA 0.260 4.816 4.556 -0.000 0.000 0.264 304 H C 0.503 175.890 175.328 0.098 0.000 1.007 304 H CA -0.099 55.997 56.048 0.080 0.000 1.207 304 H CB 0.873 30.659 29.762 0.041 0.000 1.487 304 H HN 0.594 nan 8.280 nan 0.000 0.505 305 Q N 2.122 122.017 119.800 0.159 0.000 2.414 305 Q HA 0.215 4.554 4.340 -0.000 0.000 0.206 305 Q C -2.083 174.008 176.000 0.152 0.000 1.058 305 Q CA -1.610 54.270 55.803 0.128 0.000 1.025 305 Q CB -0.077 28.711 28.738 0.084 0.000 1.196 305 Q HN 0.121 nan 8.270 nan 0.000 0.586 306 P HA -0.006 nan 4.420 nan 0.000 0.263 306 P C -1.278 176.089 177.300 0.113 0.000 1.195 306 P CA 0.501 63.633 63.100 0.054 0.000 0.762 306 P CB -0.076 31.646 31.700 0.037 0.000 0.799 307 F N 0.414 120.334 119.950 -0.050 0.000 2.662 307 F HA 0.784 5.311 4.527 -0.000 0.000 0.312 307 F C -1.615 174.131 175.800 -0.090 0.000 1.113 307 F CA -1.139 56.798 58.000 -0.104 0.000 0.951 307 F CB 1.816 40.703 39.000 -0.188 0.000 1.344 307 F HN 0.080 nan 8.300 nan 0.000 0.462 308 D N 0.827 121.262 120.400 0.058 0.000 2.756 308 D HA 0.625 5.265 4.640 -0.000 0.000 0.226 308 D C -1.845 174.602 176.300 0.245 0.000 1.186 308 D CA -0.294 53.743 54.000 0.062 0.000 0.845 308 D CB 2.828 43.676 40.800 0.080 0.000 1.610 308 D HN 0.730 nan 8.370 nan 0.000 0.465 309 V N 1.537 121.605 119.914 0.257 0.000 2.777 309 V HA 0.740 4.860 4.120 -0.000 0.000 0.306 309 V C -1.460 174.782 176.094 0.246 0.000 1.112 309 V CA -0.201 62.236 62.300 0.228 0.000 0.917 309 V CB 1.915 33.796 31.823 0.097 0.000 1.018 309 V HN 0.553 nan 8.190 nan 0.000 0.426 310 S N 4.729 120.570 115.700 0.235 0.000 2.541 310 S HA 0.845 5.315 4.470 -0.000 0.000 0.271 310 S C -0.388 174.326 174.600 0.189 0.000 1.133 310 S CA 0.064 58.378 58.200 0.190 0.000 0.876 310 S CB 1.844 65.135 63.200 0.151 0.000 1.105 310 S HN 1.875 nan 8.310 nan 0.000 0.470 311 A N 3.255 126.138 122.820 0.104 0.000 2.454 311 A HA 0.524 4.844 4.320 -0.000 0.000 0.260 311 A C -0.554 177.023 177.584 -0.012 0.000 1.106 311 A CA -0.108 51.928 52.037 -0.002 0.000 0.780 311 A CB -0.520 18.493 19.000 0.021 0.000 1.044 311 A HN 0.832 nan 8.150 nan 0.000 0.498 312 F N 3.324 123.103 119.950 -0.285 0.000 2.410 312 F HA 0.527 5.054 4.527 -0.000 0.000 0.349 312 F C 0.012 175.654 175.800 -0.265 0.000 1.117 312 F CA -0.529 57.355 58.000 -0.194 0.000 1.104 312 F CB 1.101 40.041 39.000 -0.100 0.000 1.122 312 F HN 0.592 nan 8.300 nan 0.000 0.483 313 N N 4.502 122.862 118.700 -0.567 0.000 2.519 313 N HA 0.613 5.353 4.740 -0.000 0.000 0.286 313 N C -1.845 173.360 175.510 -0.510 0.000 1.079 313 N CA -0.350 52.529 53.050 -0.286 0.000 0.878 313 N CB 1.599 40.139 38.487 0.090 0.000 1.375 313 N HN 0.719 nan 8.380 nan 0.000 0.514 314 A N 2.153 124.718 122.820 -0.425 0.000 2.319 314 A HA 0.709 5.029 4.320 -0.000 0.000 0.310 314 A C -0.697 176.650 177.584 -0.395 0.000 1.152 314 A CA -0.553 51.236 52.037 -0.413 0.000 0.783 314 A CB 1.067 19.985 19.000 -0.138 0.000 1.184 314 A HN 0.456 nan 8.150 nan 0.000 0.474 315 S N 1.004 116.377 115.700 -0.545 0.000 2.482 315 S HA 0.787 5.257 4.470 -0.000 0.000 0.303 315 S C -1.203 173.008 174.600 -0.649 0.000 1.091 315 S CA -0.183 57.759 58.200 -0.431 0.000 1.057 315 S CB 0.434 63.520 63.200 -0.190 0.000 1.031 315 S HN 0.526 nan 8.310 nan 0.000 0.485 316 Y N 0.281 120.604 120.300 0.040 0.000 2.773 316 Y HA 0.334 4.883 4.550 -0.000 0.000 0.323 316 Y C 1.827 177.740 175.900 0.022 0.000 1.183 316 Y CA -0.809 57.305 58.100 0.024 0.000 1.144 316 Y CB 0.414 38.876 38.460 0.002 0.000 1.340 316 Y HN 0.627 nan 8.280 nan 0.000 0.531 317 S N -0.500 115.322 115.700 0.203 0.000 2.402 317 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 317 S C 0.529 175.192 174.600 0.106 0.000 1.021 317 S CA 1.783 60.058 58.200 0.124 0.000 0.974 317 S CB -0.309 62.962 63.200 0.119 0.000 0.800 317 S HN 0.803 nan 8.310 nan 0.000 0.484 318 D N -0.948 119.521 120.400 0.114 0.000 2.538 318 D HA 0.423 5.063 4.640 -0.000 0.000 0.241 318 D C 0.170 176.545 176.300 0.126 0.000 1.297 318 D CA -0.167 53.891 54.000 0.098 0.000 0.804 318 D CB 0.219 41.063 40.800 0.074 0.000 1.122 318 D HN 0.300 nan 8.370 nan 0.000 0.519 319 S N -1.741 114.063 115.700 0.174 0.000 2.703 319 S HA 0.775 5.245 4.470 -0.000 0.000 0.273 319 S C -1.355 173.407 174.600 0.269 0.000 1.178 319 S CA -0.191 58.150 58.200 0.236 0.000 0.838 319 S CB 1.377 64.799 63.200 0.370 0.000 1.178 319 S HN 0.459 nan 8.310 nan 0.000 0.494 320 G N 0.426 109.380 108.800 0.257 0.000 2.677 320 G HA2 0.620 4.579 3.960 -0.000 0.000 0.291 320 G HA3 0.620 4.579 3.960 -0.000 0.000 0.291 320 G C -2.342 172.662 174.900 0.174 0.000 1.435 320 G CA -0.574 44.636 45.100 0.184 0.000 0.826 320 G HN 0.686 nan 8.290 nan 0.000 0.491 321 L N 0.920 122.255 121.223 0.186 0.000 2.372 321 L HA 0.564 4.904 4.340 -0.000 0.000 0.274 321 L C -1.325 175.646 176.870 0.167 0.000 0.988 321 L CA -0.633 54.320 54.840 0.188 0.000 0.833 321 L CB 1.986 44.248 42.059 0.337 0.000 1.236 321 L HN 0.519 nan 8.230 nan 0.000 0.410 322 F N 2.309 122.216 119.950 -0.071 0.000 2.508 322 F HA 0.888 5.415 4.527 -0.000 0.000 0.325 322 F C 0.366 176.187 175.800 0.036 0.000 1.090 322 F CA 0.157 58.130 58.000 -0.044 0.000 0.945 322 F CB 2.021 40.870 39.000 -0.250 0.000 1.156 322 F HN 0.492 nan 8.300 nan 0.000 0.463 323 G N 3.563 111.808 108.800 -0.926 0.000 2.539 323 G HA2 0.332 4.292 3.960 -0.000 0.000 0.138 323 G HA3 0.332 4.292 3.960 -0.000 0.000 0.138 323 G C -1.748 172.722 174.900 -0.715 0.000 1.148 323 G CA -0.084 44.434 45.100 -0.970 0.000 1.057 323 G HN 0.924 nan 8.290 nan 0.000 0.511 324 F N -1.374 118.390 119.950 -0.311 0.000 2.629 324 F HA 0.887 5.413 4.527 -0.000 0.000 0.316 324 F C -1.536 174.250 175.800 -0.022 0.000 1.081 324 F CA -2.088 55.829 58.000 -0.138 0.000 0.954 324 F CB 1.755 40.689 39.000 -0.109 0.000 1.337 324 F HN 0.581 nan 8.300 nan 0.000 0.474 325 Y N 1.151 121.579 120.300 0.215 0.000 2.391 325 Y HA 0.644 5.194 4.550 -0.000 0.000 0.341 325 Y C -0.611 175.386 175.900 0.161 0.000 0.965 325 Y CA -0.616 57.548 58.100 0.107 0.000 1.067 325 Y CB 2.013 40.508 38.460 0.057 0.000 1.199 325 Y HN 0.955 nan 8.280 nan 0.000 0.450 326 T N 4.100 118.700 114.554 0.076 0.000 2.861 326 T HA 0.735 5.085 4.350 -0.000 0.000 0.287 326 T C -1.046 173.640 174.700 -0.023 0.000 1.003 326 T CA -0.645 61.510 62.100 0.091 0.000 0.977 326 T CB 1.325 70.222 68.868 0.048 0.000 0.996 326 T HN 0.456 nan 8.240 nan 0.000 0.448 327 I N 3.207 123.786 120.570 0.014 0.000 2.389 327 I HA 0.599 4.769 4.170 -0.000 0.000 0.288 327 I C 0.002 176.116 176.117 -0.006 0.000 0.999 327 I CA -0.167 61.050 61.300 -0.137 0.000 1.129 327 I CB 1.955 39.817 38.000 -0.230 0.000 1.288 327 I HN 1.029 nan 8.210 nan 0.000 0.444 328 S N 4.372 120.066 115.700 -0.010 0.000 2.570 328 S HA 0.506 4.976 4.470 -0.000 0.000 0.270 328 S C -1.107 173.512 174.600 0.031 0.000 1.149 328 S CA -1.213 57.008 58.200 0.035 0.000 0.837 328 S CB 1.595 64.799 63.200 0.007 0.000 1.124 328 S HN 0.401 nan 8.310 nan 0.000 0.465 329 Q N 0.773 120.596 119.800 0.038 0.000 2.349 329 Q HA 0.222 4.562 4.340 -0.000 0.000 0.287 329 Q C 1.696 177.710 176.000 0.024 0.000 1.044 329 Q CA 0.601 56.423 55.803 0.032 0.000 0.918 329 Q CB 0.540 29.293 28.738 0.025 0.000 1.242 329 Q HN 0.976 nan 8.270 nan 0.000 0.405 330 A N 3.209 126.053 122.820 0.039 0.000 1.903 330 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 330 A C 2.023 179.651 177.584 0.073 0.000 1.191 330 A CA 2.526 54.599 52.037 0.060 0.000 0.638 330 A CB -0.738 18.309 19.000 0.077 0.000 0.823 330 A HN 0.846 nan 8.150 nan 0.000 0.451 331 A N -1.076 121.747 122.820 0.005 0.000 1.930 331 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 331 A C 2.299 179.797 177.584 -0.144 0.000 1.175 331 A CA 1.871 53.799 52.037 -0.181 0.000 0.627 331 A CB -0.658 18.191 19.000 -0.252 0.000 0.815 331 A HN 0.485 nan 8.150 nan 0.000 0.443 332 S N -0.061 115.595 115.700 -0.075 0.000 2.561 332 S HA 0.200 4.669 4.470 -0.000 0.000 0.225 332 S C 2.055 176.617 174.600 -0.064 0.000 0.977 332 S CA 0.590 58.743 58.200 -0.077 0.000 0.926 332 S CB -0.245 62.915 63.200 -0.067 0.000 0.769 332 S HN 0.757 nan 8.310 nan 0.000 0.533 333 A N 2.101 124.907 122.820 -0.024 0.000 1.884 333 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 333 A C 2.341 179.913 177.584 -0.020 0.000 1.197 333 A CA 1.969 53.995 52.037 -0.017 0.000 0.637 333 A CB -1.551 17.452 19.000 0.005 0.000 0.827 333 A HN 0.525 nan 8.150 nan 0.000 0.450 334 G N -0.584 108.218 108.800 0.005 0.000 2.418 334 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 334 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 334 G C 1.122 176.013 174.900 -0.015 0.000 1.158 334 G CA 1.252 46.360 45.100 0.013 0.000 0.771 334 G HN 0.496 nan 8.290 nan 0.000 0.545 335 D N 0.242 120.610 120.400 -0.054 0.000 2.144 335 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 335 D C 2.768 178.976 176.300 -0.154 0.000 0.978 335 D CA 0.647 54.588 54.000 -0.098 0.000 0.833 335 D CB -0.403 40.322 40.800 -0.124 0.000 0.961 335 D HN 0.229 nan 8.370 nan 0.000 0.470 336 V N 1.119 120.926 119.914 -0.179 0.000 2.307 336 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 336 V C 2.511 178.493 176.094 -0.186 0.000 1.045 336 V CA 1.058 63.203 62.300 -0.258 0.000 1.024 336 V CB -0.357 31.319 31.823 -0.246 0.000 0.651 336 V HN 0.135 nan 8.190 nan 0.000 0.449 337 I N -0.366 120.170 120.570 -0.057 0.000 2.226 337 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 337 I C 2.509 178.685 176.117 0.098 0.000 1.100 337 I CA 1.647 62.997 61.300 0.083 0.000 1.374 337 I CB -0.387 37.702 38.000 0.149 0.000 1.057 337 I HN 0.230 nan 8.210 nan 0.000 0.413 338 K N 0.750 121.184 120.400 0.057 0.000 2.103 338 K HA -0.057 4.263 4.320 -0.000 0.000 0.204 338 K C 2.304 178.910 176.600 0.010 0.000 1.052 338 K CA 1.288 57.629 56.287 0.090 0.000 0.945 338 K CB -0.238 32.298 32.500 0.059 0.000 0.722 338 K HN 0.291 nan 8.250 nan 0.000 0.443 339 A N 1.641 124.404 122.820 -0.095 0.000 1.877 339 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 339 A C 2.379 179.852 177.584 -0.185 0.000 1.186 339 A CA 1.946 53.892 52.037 -0.151 0.000 0.620 339 A CB -0.730 18.131 19.000 -0.232 0.000 0.822 339 A HN 0.330 nan 8.150 nan 0.000 0.443 340 A N -1.520 121.108 122.820 -0.319 0.000 1.877 340 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 340 A C 2.193 179.529 177.584 -0.412 0.000 1.186 340 A CA 1.729 53.405 52.037 -0.602 0.000 0.620 340 A CB -0.861 17.378 19.000 -1.268 0.000 0.822 340 A HN 0.647 nan 8.150 nan 0.000 0.443 341 Y N 1.408 121.558 120.300 -0.251 0.000 2.145 341 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 341 Y C 2.063 178.061 175.900 0.163 0.000 1.145 341 Y CA 1.689 59.942 58.100 0.255 0.000 1.148 341 Y CB -1.022 37.669 38.460 0.384 0.000 0.981 341 Y HN 0.489 nan 8.280 nan 0.000 0.507 342 N N -0.569 118.154 118.700 0.039 0.000 2.223 342 N HA -0.227 4.513 4.740 -0.000 0.000 0.185 342 N C 1.760 177.256 175.510 -0.023 0.000 1.016 342 N CA 0.856 53.865 53.050 -0.068 0.000 0.863 342 N CB -0.180 38.269 38.487 -0.064 0.000 0.983 342 N HN 0.264 nan 8.380 nan 0.000 0.429 343 Q N 1.304 121.098 119.800 -0.010 0.000 2.084 343 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 343 Q C 1.866 177.904 176.000 0.063 0.000 0.978 343 Q CA 1.367 57.172 55.803 0.002 0.000 0.844 343 Q CB -0.331 28.386 28.738 -0.036 0.000 0.898 343 Q HN 0.184 nan 8.270 nan 0.000 0.426 344 V N 0.598 120.600 119.914 0.146 0.000 2.343 344 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 344 V C 2.215 178.429 176.094 0.199 0.000 1.051 344 V CA 2.115 64.564 62.300 0.249 0.000 1.036 344 V CB -0.585 31.538 31.823 0.500 0.000 0.654 344 V HN 0.314 nan 8.190 nan 0.000 0.451 345 K N 0.582 121.053 120.400 0.119 0.000 2.103 345 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 345 K C 2.292 178.904 176.600 0.020 0.000 1.048 345 K CA 2.035 58.335 56.287 0.021 0.000 0.930 345 K CB -0.458 31.967 32.500 -0.124 0.000 0.716 345 K HN 0.774 nan 8.250 nan 0.000 0.444 346 T N -0.342 114.223 114.554 0.018 0.000 2.867 346 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 346 T C 1.791 176.504 174.700 0.022 0.000 1.057 346 T CA 0.778 62.885 62.100 0.012 0.000 1.136 346 T CB -0.194 68.677 68.868 0.005 0.000 0.874 346 T HN -0.031 nan 8.240 nan 0.000 0.466 347 I N 2.551 123.146 120.570 0.041 0.000 2.252 347 I HA -0.004 4.166 4.170 -0.000 0.000 0.245 347 I C 3.142 179.277 176.117 0.030 0.000 1.102 347 I CA 1.240 62.561 61.300 0.036 0.000 1.385 347 I CB -1.886 36.144 38.000 0.050 0.000 1.064 347 I HN 0.354 nan 8.210 nan 0.000 0.414 348 A N 0.400 123.254 122.820 0.056 0.000 1.933 348 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 348 A C 2.263 179.860 177.584 0.022 0.000 1.175 348 A CA 1.518 53.585 52.037 0.050 0.000 0.628 348 A CB -0.692 18.361 19.000 0.089 0.000 0.814 348 A HN 0.460 nan 8.150 nan 0.000 0.444 349 Q N -2.056 117.754 119.800 0.015 0.000 2.369 349 Q HA 0.198 4.538 4.340 -0.000 0.000 0.206 349 Q C 1.194 177.194 176.000 -0.000 0.000 0.963 349 Q CA 0.974 56.779 55.803 0.003 0.000 0.894 349 Q CB 0.037 28.774 28.738 -0.002 0.000 0.965 349 Q HN 0.934 nan 8.270 nan 0.000 0.475 350 G N -0.005 108.796 108.800 0.001 0.000 2.175 350 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.182 350 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.182 350 G C -0.314 174.584 174.900 -0.004 0.000 1.003 350 G CA -0.372 44.725 45.100 -0.005 0.000 0.666 350 G HN 0.257 nan 8.290 nan 0.000 0.506 351 N N 0.595 119.295 118.700 0.000 0.000 3.050 351 N HA 0.369 5.109 4.740 -0.000 0.000 0.289 351 N C -0.585 174.927 175.510 0.003 0.000 1.209 351 N CA 0.417 53.467 53.050 0.001 0.000 1.154 351 N CB 1.054 39.542 38.487 0.002 0.000 1.444 351 N HN 0.532 nan 8.380 nan 0.000 0.529 352 L N 0.404 121.627 121.223 -0.001 0.000 2.505 352 L HA 0.309 4.649 4.340 -0.000 0.000 0.266 352 L C -0.052 176.815 176.870 -0.005 0.000 0.954 352 L CA -0.537 54.302 54.840 -0.001 0.000 0.852 352 L CB 1.830 43.885 42.059 -0.005 0.000 1.282 352 L HN 0.160 nan 8.230 nan 0.000 0.403 353 S N 3.083 118.781 115.700 -0.003 0.000 2.652 353 S HA 0.282 4.752 4.470 -0.000 0.000 0.270 353 S C 0.816 175.412 174.600 -0.007 0.000 1.243 353 S CA 0.003 58.200 58.200 -0.005 0.000 0.999 353 S CB 1.028 64.226 63.200 -0.002 0.000 0.973 353 S HN 0.866 nan 8.310 nan 0.000 0.544 354 N N 1.654 120.349 118.700 -0.009 0.000 2.106 354 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 354 N C -0.926 174.579 175.510 -0.009 0.000 1.029 354 N CA 1.390 54.434 53.050 -0.010 0.000 0.848 354 N CB -1.299 37.181 38.487 -0.011 0.000 1.007 354 N HN 0.517 nan 8.380 nan 0.000 0.423 355 P HA -0.097 nan 4.420 nan 0.000 0.218 355 P C 0.797 178.094 177.300 -0.004 0.000 1.148 355 P CA 1.195 64.292 63.100 -0.006 0.000 0.822 355 P CB -0.132 31.565 31.700 -0.005 0.000 0.784 356 D N -0.216 120.184 120.400 -0.001 0.000 2.106 356 D HA -0.119 4.521 4.640 -0.000 0.000 0.191 356 D C 2.101 178.404 176.300 0.006 0.000 0.997 356 D CA 1.164 55.166 54.000 0.003 0.000 0.834 356 D CB -0.679 40.124 40.800 0.006 0.000 0.956 356 D HN -0.010 nan 8.370 nan 0.000 0.448 357 V N 0.522 120.436 119.914 -0.000 0.000 2.358 357 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 357 V C 2.520 178.612 176.094 -0.004 0.000 1.047 357 V CA 1.445 63.744 62.300 -0.003 0.000 1.035 357 V CB -0.503 31.311 31.823 -0.015 0.000 0.658 357 V HN 0.095 nan 8.190 nan 0.000 0.452 358 Q N 0.365 120.160 119.800 -0.008 0.000 2.077 358 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 358 Q C 2.234 178.228 176.000 -0.009 0.000 0.989 358 Q CA 2.334 58.131 55.803 -0.010 0.000 0.853 358 Q CB -0.668 28.064 28.738 -0.010 0.000 0.907 358 Q HN 0.632 nan 8.270 nan 0.000 0.418 359 A N 0.074 122.890 122.820 -0.006 0.000 1.883 359 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 359 A C 2.277 179.859 177.584 -0.002 0.000 1.186 359 A CA 2.085 54.117 52.037 -0.009 0.000 0.624 359 A CB -1.291 17.701 19.000 -0.013 0.000 0.822 359 A HN 0.504 nan 8.150 nan 0.000 0.444 360 A N -0.596 122.236 122.820 0.020 0.000 1.908 360 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 360 A C 2.100 179.680 177.584 -0.007 0.000 1.181 360 A CA 2.269 54.342 52.037 0.060 0.000 0.627 360 A CB -0.442 18.614 19.000 0.094 0.000 0.818 360 A HN 0.486 nan 8.150 nan 0.000 0.445 361 K N 0.113 120.502 120.400 -0.019 0.000 2.026 361 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 361 K C 1.804 178.370 176.600 -0.056 0.000 1.048 361 K CA 1.746 58.008 56.287 -0.042 0.000 0.929 361 K CB -0.157 32.325 32.500 -0.029 0.000 0.713 361 K HN 0.518 nan 8.250 nan 0.000 0.439 362 N N 0.605 119.283 118.700 -0.036 0.000 2.188 362 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 362 N C 1.356 176.848 175.510 -0.030 0.000 1.018 362 N CA 1.124 54.160 53.050 -0.023 0.000 0.858 362 N CB -0.054 38.429 38.487 -0.007 0.000 0.989 362 N HN 0.226 nan 8.380 nan 0.000 0.426 363 K N 0.518 120.888 120.400 -0.050 0.000 2.026 363 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 363 K C 1.963 178.384 176.600 -0.298 0.000 1.048 363 K CA 0.724 56.981 56.287 -0.050 0.000 0.929 363 K CB -0.283 32.248 32.500 0.052 0.000 0.713 363 K HN 0.038 nan 8.250 nan 0.000 0.439 364 L N 2.006 122.923 121.223 -0.508 0.000 2.027 364 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 364 L C 1.978 178.774 176.870 -0.123 0.000 1.074 364 L CA 1.782 56.339 54.840 -0.472 0.000 0.745 364 L CB -0.266 41.601 42.059 -0.320 0.000 0.898 364 L HN 0.016 nan 8.230 nan 0.000 0.433 365 K N -0.557 119.801 120.400 -0.069 0.000 1.991 365 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 365 K C 2.055 178.696 176.600 0.067 0.000 1.049 365 K CA 1.588 57.884 56.287 0.015 0.000 0.932 365 K CB -0.495 32.005 32.500 -0.001 0.000 0.717 365 K HN 0.466 nan 8.250 nan 0.000 0.441 366 A N 1.093 123.931 122.820 0.030 0.000 1.933 366 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 366 A C 2.395 180.001 177.584 0.036 0.000 1.175 366 A CA 1.982 54.041 52.037 0.037 0.000 0.628 366 A CB -1.161 17.858 19.000 0.033 0.000 0.814 366 A HN 0.473 nan 8.150 nan 0.000 0.444 367 G N -1.486 107.333 108.800 0.030 0.000 2.446 367 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 367 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 367 G C 1.562 176.504 174.900 0.069 0.000 1.168 367 G CA 1.332 46.455 45.100 0.039 0.000 0.771 367 G HN 0.596 nan 8.290 nan 0.000 0.551 368 Y N 1.174 121.469 120.300 -0.008 0.000 2.145 368 Y HA -0.044 4.506 4.550 -0.000 0.000 0.286 368 Y C 2.575 178.491 175.900 0.027 0.000 1.145 368 Y CA 1.463 59.569 58.100 0.010 0.000 1.148 368 Y CB -0.326 38.133 38.460 -0.002 0.000 0.981 368 Y HN 0.120 nan 8.280 nan 0.000 0.507 369 L N -0.585 120.635 121.223 -0.005 0.000 2.046 369 L HA -0.280 4.060 4.340 -0.000 0.000 0.208 369 L C 2.604 179.416 176.870 -0.098 0.000 1.077 369 L CA 1.731 56.531 54.840 -0.067 0.000 0.747 369 L CB -0.520 41.564 42.059 0.041 0.000 0.896 369 L HN 0.294 nan 8.230 nan 0.000 0.432 370 M N -0.829 118.737 119.600 -0.057 0.000 2.213 370 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 370 M C 2.566 178.826 176.300 -0.067 0.000 1.062 370 M CA 1.840 57.110 55.300 -0.049 0.000 1.105 370 M CB -0.343 32.238 32.600 -0.031 0.000 1.385 370 M HN 0.390 nan 8.290 nan 0.000 0.417 371 S N 0.235 115.873 115.700 -0.103 0.000 2.447 371 S HA -0.061 4.409 4.470 -0.000 0.000 0.233 371 S C 1.353 175.887 174.600 -0.110 0.000 1.006 371 S CA 1.117 59.258 58.200 -0.099 0.000 0.957 371 S CB -0.535 62.613 63.200 -0.086 0.000 0.773 371 S HN 0.443 nan 8.310 nan 0.000 0.507 372 V N -1.964 117.853 119.914 -0.160 0.000 3.214 372 V HA 0.469 4.589 4.120 -0.000 0.000 0.330 372 V C 1.552 177.669 176.094 0.040 0.000 1.403 372 V CA 0.165 62.444 62.300 -0.034 0.000 1.143 372 V CB -0.452 31.338 31.823 -0.055 0.000 1.098 372 V HN 0.357 nan 8.190 nan 0.000 0.463 373 E N 2.199 122.392 120.200 -0.011 0.000 2.077 373 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 373 E C 1.393 177.989 176.600 -0.007 0.000 0.989 373 E CA 1.296 57.686 56.400 -0.016 0.000 0.800 373 E CB 0.104 29.790 29.700 -0.023 0.000 0.746 373 E HN 0.877 nan 8.360 nan 0.000 0.452 374 S N -0.720 114.991 115.700 0.019 0.000 2.646 374 S HA 0.146 4.616 4.470 -0.000 0.000 0.276 374 S C 1.075 175.721 174.600 0.077 0.000 1.222 374 S CA -0.187 58.031 58.200 0.029 0.000 1.014 374 S CB 1.762 64.979 63.200 0.028 0.000 0.991 374 S HN 0.154 nan 8.310 nan 0.000 0.533 375 S N 0.150 115.891 115.700 0.069 0.000 2.423 375 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 375 S C 1.516 176.208 174.600 0.154 0.000 1.014 375 S CA 0.802 59.078 58.200 0.128 0.000 0.965 375 S CB -0.671 62.578 63.200 0.081 0.000 0.785 375 S HN 0.816 nan 8.310 nan 0.000 0.495 376 E N 1.626 121.886 120.200 0.101 0.000 2.077 376 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 376 E C 2.118 178.778 176.600 0.100 0.000 0.989 376 E CA 1.270 57.723 56.400 0.089 0.000 0.800 376 E CB -0.514 29.219 29.700 0.056 0.000 0.746 376 E HN 0.656 nan 8.360 nan 0.000 0.452 377 G N -0.051 108.806 108.800 0.095 0.000 2.426 377 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 377 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 377 G C 1.319 176.274 174.900 0.091 0.000 1.156 377 G CA 0.134 45.279 45.100 0.074 0.000 0.802 377 G HN 0.275 nan 8.290 nan 0.000 0.534 378 F N 1.147 121.091 119.950 -0.010 0.000 2.102 378 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 378 F C 2.285 178.092 175.800 0.012 0.000 1.105 378 F CA 1.383 59.376 58.000 -0.011 0.000 1.239 378 F CB -0.260 38.729 39.000 -0.018 0.000 0.991 378 F HN 0.096 nan 8.300 nan 0.000 0.474 379 L N 0.270 121.532 121.223 0.064 0.000 2.046 379 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 379 L C 1.984 178.876 176.870 0.037 0.000 1.077 379 L CA 2.325 57.181 54.840 0.028 0.000 0.747 379 L CB -0.757 41.416 42.059 0.189 0.000 0.896 379 L HN 0.204 nan 8.230 nan 0.000 0.432 380 D N -0.998 119.480 120.400 0.131 0.000 2.178 380 D HA -0.256 4.384 4.640 -0.000 0.000 0.202 380 D C 2.049 178.330 176.300 -0.033 0.000 0.974 380 D CA 1.129 55.255 54.000 0.210 0.000 0.841 380 D CB 0.161 41.070 40.800 0.181 0.000 0.953 380 D HN 0.484 nan 8.370 nan 0.000 0.478 381 E N -0.411 119.722 120.200 -0.111 0.000 2.046 381 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 381 E C 2.005 178.482 176.600 -0.204 0.000 0.982 381 E CA 1.135 57.465 56.400 -0.117 0.000 0.800 381 E CB -0.321 29.329 29.700 -0.084 0.000 0.756 381 E HN 0.151 nan 8.360 nan 0.000 0.449 382 V N 0.780 120.472 119.914 -0.369 0.000 2.332 382 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 382 V C 2.366 178.233 176.094 -0.379 0.000 1.055 382 V CA 1.959 64.053 62.300 -0.343 0.000 1.038 382 V CB -1.266 30.223 31.823 -0.556 0.000 0.651 382 V HN 0.512 nan 8.190 nan 0.000 0.450 383 G N -0.280 108.046 108.800 -0.791 0.000 2.421 383 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 383 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 383 G C 1.809 176.207 174.900 -0.837 0.000 1.171 383 G CA 1.178 45.366 45.100 -1.520 0.000 0.775 383 G HN 0.538 nan 8.290 nan 0.000 0.543 384 S N 0.280 115.672 115.700 -0.514 0.000 2.383 384 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 384 S C 2.298 176.849 174.600 -0.080 0.000 1.026 384 S CA 1.227 59.338 58.200 -0.148 0.000 0.981 384 S CB -0.231 62.947 63.200 -0.037 0.000 0.818 384 S HN 0.498 nan 8.310 nan 0.000 0.472 385 Q N 0.874 120.621 119.800 -0.087 0.000 2.020 385 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 385 Q C 2.610 178.624 176.000 0.023 0.000 0.982 385 Q CA 1.372 57.164 55.803 -0.019 0.000 0.838 385 Q CB -0.423 28.324 28.738 0.014 0.000 0.899 385 Q HN 0.602 nan 8.270 nan 0.000 0.423 386 A N 0.823 123.668 122.820 0.042 0.000 1.948 386 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 386 A C 2.012 179.653 177.584 0.095 0.000 1.177 386 A CA 1.271 53.401 52.037 0.155 0.000 0.636 386 A CB -0.632 18.427 19.000 0.098 0.000 0.815 386 A HN 0.306 nan 8.150 nan 0.000 0.449 387 L N -1.633 119.610 121.223 0.032 0.000 2.162 387 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 387 L C 3.016 179.928 176.870 0.069 0.000 1.086 387 L CA 0.934 55.810 54.840 0.060 0.000 0.778 387 L CB -0.428 41.678 42.059 0.078 0.000 0.928 387 L HN 0.449 nan 8.230 nan 0.000 0.446 388 A N -0.556 122.296 122.820 0.054 0.000 1.935 388 A HA 0.118 4.438 4.320 -0.000 0.000 0.214 388 A C 2.190 179.801 177.584 0.045 0.000 1.178 388 A CA 1.415 53.484 52.037 0.054 0.000 0.640 388 A CB -0.231 18.792 19.000 0.038 0.000 0.825 388 A HN 0.369 nan 8.150 nan 0.000 0.447 389 A N -2.709 120.134 122.820 0.038 0.000 2.127 389 A HA 0.458 4.778 4.320 -0.000 0.000 0.204 389 A C 1.749 179.363 177.584 0.051 0.000 1.243 389 A CA 1.140 53.192 52.037 0.024 0.000 0.887 389 A CB -0.326 18.663 19.000 -0.018 0.000 0.933 389 A HN 1.826 nan 8.150 nan 0.000 0.479 390 G N -0.024 108.840 108.800 0.107 0.000 2.153 390 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.252 390 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.252 390 G C 0.286 175.336 174.900 0.250 0.000 0.994 390 G CA 1.125 46.344 45.100 0.198 0.000 0.698 390 G HN 1.879 nan 8.290 nan 0.000 0.521 391 S N -1.637 114.075 115.700 0.019 0.000 2.671 391 S HA 0.714 5.184 4.470 -0.000 0.000 0.277 391 S C -1.050 173.200 174.600 -0.584 0.000 1.165 391 S CA -0.852 57.041 58.200 -0.511 0.000 0.822 391 S CB 2.387 65.403 63.200 -0.306 0.000 1.150 391 S HN 1.465 nan 8.310 nan 0.000 0.479 392 Y N 1.203 120.927 120.300 -0.960 0.000 2.335 392 Y HA 0.624 5.174 4.550 -0.000 0.000 0.338 392 Y C -0.789 174.942 175.900 -0.282 0.000 0.977 392 Y CA -0.395 57.422 58.100 -0.471 0.000 1.114 392 Y CB 1.792 40.037 38.460 -0.358 0.000 1.182 392 Y HN 0.815 nan 8.280 nan 0.000 0.463 393 T N 9.058 123.107 114.554 -0.841 0.000 2.770 393 T HA 0.368 4.717 4.350 -0.000 0.000 0.297 393 T C -2.748 171.395 174.700 -0.929 0.000 0.997 393 T CA -1.554 60.135 62.100 -0.685 0.000 0.949 393 T CB 1.008 69.656 68.868 -0.366 0.000 0.941 393 T HN 0.429 nan 8.240 nan 0.000 0.457 394 P HA 0.122 nan 4.420 nan 0.000 0.269 394 P C -1.560 175.673 177.300 -0.112 0.000 1.215 394 P CA -1.439 61.435 63.100 -0.375 0.000 0.780 394 P CB 0.229 31.853 31.700 -0.126 0.000 0.898 395 P HA -0.247 nan 4.420 nan 0.000 0.216 395 P C 1.433 178.779 177.300 0.077 0.000 1.153 395 P CA 1.996 65.224 63.100 0.214 0.000 0.858 395 P CB -0.392 31.463 31.700 0.259 0.000 0.789 396 S N -0.602 115.122 115.700 0.040 0.000 2.400 396 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 396 S C 2.128 176.709 174.600 -0.031 0.000 1.025 396 S CA 2.170 60.375 58.200 0.009 0.000 0.993 396 S CB -1.939 61.268 63.200 0.012 0.000 0.808 396 S HN 0.374 nan 8.310 nan 0.000 0.478 397 T N -0.179 114.336 114.554 -0.065 0.000 3.035 397 T HA 0.147 4.497 4.350 -0.000 0.000 0.259 397 T C 1.720 176.344 174.700 -0.126 0.000 1.078 397 T CA 0.781 62.825 62.100 -0.094 0.000 1.132 397 T CB -0.524 68.278 68.868 -0.109 0.000 0.900 397 T HN 0.222 nan 8.240 nan 0.000 0.480 398 V N 2.155 121.971 119.914 -0.163 0.000 2.295 398 V HA -0.058 4.061 4.120 -0.000 0.000 0.246 398 V C 2.778 178.753 176.094 -0.200 0.000 1.049 398 V CA 1.714 63.861 62.300 -0.255 0.000 1.024 398 V CB -0.785 30.749 31.823 -0.482 0.000 0.648 398 V HN 0.495 nan 8.190 nan 0.000 0.447 399 L N -0.221 120.930 121.223 -0.121 0.000 2.191 399 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 399 L C 2.594 179.424 176.870 -0.066 0.000 1.103 399 L CA 1.763 56.561 54.840 -0.071 0.000 0.769 399 L CB -0.676 41.373 42.059 -0.016 0.000 0.908 399 L HN 0.442 nan 8.230 nan 0.000 0.438 400 Q N 0.246 120.005 119.800 -0.069 0.000 2.079 400 Q HA -0.230 4.110 4.340 -0.000 0.000 0.200 400 Q C 2.219 178.177 176.000 -0.069 0.000 0.974 400 Q CA 1.447 57.214 55.803 -0.060 0.000 0.840 400 Q CB 0.089 28.792 28.738 -0.057 0.000 0.898 400 Q HN 0.550 nan 8.270 nan 0.000 0.430 401 Q N -0.001 119.744 119.800 -0.091 0.000 2.119 401 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 401 Q C 2.031 177.980 176.000 -0.086 0.000 0.972 401 Q CA 1.290 57.039 55.803 -0.091 0.000 0.847 401 Q CB 0.032 28.702 28.738 -0.113 0.000 0.903 401 Q HN 0.429 nan 8.270 nan 0.000 0.433 402 I N 0.788 121.300 120.570 -0.096 0.000 2.226 402 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 402 I C 1.647 177.727 176.117 -0.061 0.000 1.100 402 I CA 1.043 62.294 61.300 -0.082 0.000 1.374 402 I CB -0.184 37.762 38.000 -0.091 0.000 1.057 402 I HN 0.129 nan 8.210 nan 0.000 0.413 403 D N 0.928 121.294 120.400 -0.056 0.000 2.144 403 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 403 D C 2.246 178.520 176.300 -0.043 0.000 0.984 403 D CA 1.470 55.444 54.000 -0.044 0.000 0.834 403 D CB -0.093 40.684 40.800 -0.038 0.000 0.955 403 D HN 0.352 nan 8.370 nan 0.000 0.465 404 A N 0.484 123.275 122.820 -0.048 0.000 2.070 404 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 404 A C 1.213 178.770 177.584 -0.046 0.000 1.159 404 A CA 0.272 52.282 52.037 -0.045 0.000 0.656 404 A CB -0.261 18.711 19.000 -0.047 0.000 0.800 404 A HN 0.080 nan 8.150 nan 0.000 0.453 405 V N 1.162 121.045 119.914 -0.052 0.000 2.475 405 V HA 0.276 4.396 4.120 -0.000 0.000 0.292 405 V C 0.921 176.983 176.094 -0.052 0.000 1.003 405 V CA -0.058 62.208 62.300 -0.057 0.000 1.120 405 V CB -0.552 31.234 31.823 -0.063 0.000 0.937 405 V HN 0.525 nan 8.190 nan 0.000 0.476 406 A N 4.056 126.844 122.820 -0.053 0.000 2.304 406 A HA 0.391 4.711 4.320 -0.000 0.000 0.271 406 A C 1.068 178.619 177.584 -0.055 0.000 1.091 406 A CA -0.528 51.480 52.037 -0.048 0.000 0.812 406 A CB 0.252 19.226 19.000 -0.043 0.000 1.056 406 A HN 0.808 nan 8.150 nan 0.000 0.489 407 D N 1.100 121.473 120.400 -0.046 0.000 2.182 407 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 407 D C 2.044 178.311 176.300 -0.055 0.000 0.986 407 D CA 1.914 55.886 54.000 -0.046 0.000 0.847 407 D CB -0.369 40.411 40.800 -0.033 0.000 0.942 407 D HN 0.613 nan 8.370 nan 0.000 0.467 408 A N 1.168 123.957 122.820 -0.052 0.000 1.933 408 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 408 A C 1.778 179.316 177.584 -0.078 0.000 1.175 408 A CA 1.575 53.579 52.037 -0.054 0.000 0.628 408 A CB -0.333 18.642 19.000 -0.043 0.000 0.814 408 A HN 0.041 nan 8.150 nan 0.000 0.444 409 D N -0.114 120.233 120.400 -0.089 0.000 2.144 409 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 409 D C 2.065 178.249 176.300 -0.194 0.000 0.984 409 D CA 1.478 55.403 54.000 -0.125 0.000 0.834 409 D CB -0.351 40.383 40.800 -0.110 0.000 0.955 409 D HN 0.269 nan 8.370 nan 0.000 0.465 410 V N 1.180 120.992 119.914 -0.170 0.000 2.307 410 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 410 V C 2.545 178.521 176.094 -0.197 0.000 1.045 410 V CA 1.025 63.202 62.300 -0.205 0.000 1.024 410 V CB -0.342 31.406 31.823 -0.125 0.000 0.651 410 V HN 0.119 nan 8.190 nan 0.000 0.449 411 I N 0.444 120.940 120.570 -0.123 0.000 2.226 411 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 411 I C 2.402 178.462 176.117 -0.095 0.000 1.100 411 I CA 1.482 62.732 61.300 -0.083 0.000 1.374 411 I CB -0.513 37.458 38.000 -0.049 0.000 1.057 411 I HN 0.337 nan 8.210 nan 0.000 0.413 412 N N 0.826 119.454 118.700 -0.120 0.000 2.223 412 N HA -0.135 4.605 4.740 -0.000 0.000 0.185 412 N C 1.917 177.318 175.510 -0.181 0.000 1.016 412 N CA 1.518 54.501 53.050 -0.112 0.000 0.863 412 N CB -0.146 38.283 38.487 -0.097 0.000 0.983 412 N HN 0.373 nan 8.380 nan 0.000 0.429 413 A N 1.176 123.759 122.820 -0.396 0.000 1.930 413 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 413 A C 2.402 179.732 177.584 -0.424 0.000 1.175 413 A CA 1.674 53.195 52.037 -0.861 0.000 0.627 413 A CB -0.593 17.491 19.000 -1.526 0.000 0.815 413 A HN 0.314 nan 8.150 nan 0.000 0.443 414 A N -0.279 122.419 122.820 -0.204 0.000 1.873 414 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 414 A C 2.135 179.838 177.584 0.199 0.000 1.186 414 A CA 1.695 53.779 52.037 0.079 0.000 0.616 414 A CB -0.438 18.600 19.000 0.063 0.000 0.823 414 A HN 0.445 nan 8.150 nan 0.000 0.442 415 K N -0.364 120.087 120.400 0.086 0.000 2.044 415 K HA -0.235 4.085 4.320 -0.000 0.000 0.210 415 K C 2.198 178.878 176.600 0.133 0.000 1.049 415 K CA 1.960 58.302 56.287 0.091 0.000 0.927 415 K CB -0.200 32.320 32.500 0.033 0.000 0.713 415 K HN 0.464 nan 8.250 nan 0.000 0.443 416 K N 0.484 120.974 120.400 0.150 0.000 2.063 416 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 416 K C 1.954 178.722 176.600 0.280 0.000 1.048 416 K CA 1.322 57.732 56.287 0.205 0.000 0.928 416 K CB -0.337 32.329 32.500 0.276 0.000 0.713 416 K HN 0.075 nan 8.250 nan 0.000 0.442 417 F N 0.349 120.461 119.950 0.270 0.000 2.084 417 F HA -0.144 4.383 4.527 -0.000 0.000 0.296 417 F C 1.708 177.665 175.800 0.260 0.000 1.111 417 F CA 1.398 59.581 58.000 0.305 0.000 1.224 417 F CB -0.578 38.712 39.000 0.484 0.000 0.991 417 F HN -0.167 nan 8.300 nan 0.000 0.471 418 V N 0.601 120.615 119.914 0.166 0.000 2.324 418 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 418 V C 2.417 178.512 176.094 0.002 0.000 1.060 418 V CA 2.340 64.692 62.300 0.086 0.000 1.042 418 V CB -1.176 30.749 31.823 0.170 0.000 0.650 418 V HN 0.627 nan 8.190 nan 0.000 0.450 419 S N -0.769 114.941 115.700 0.018 0.000 2.556 419 S HA 0.269 4.739 4.470 -0.000 0.000 0.216 419 S C 0.948 175.541 174.600 -0.011 0.000 0.970 419 S CA 0.274 58.480 58.200 0.010 0.000 0.912 419 S CB 0.241 63.459 63.200 0.029 0.000 0.790 419 S HN 0.549 nan 8.310 nan 0.000 0.504 420 G N 1.032 109.806 108.800 -0.042 0.000 2.389 420 G HA2 0.490 4.450 3.960 -0.000 0.000 0.317 420 G HA3 0.490 4.450 3.960 -0.000 0.000 0.317 420 G C -0.533 174.330 174.900 -0.061 0.000 1.137 420 G CA -1.052 44.023 45.100 -0.042 0.000 0.870 420 G HN 0.294 nan 8.290 nan 0.000 0.496 421 R N 0.996 121.498 120.500 0.003 0.000 2.504 421 R HA 0.032 4.372 4.340 -0.000 0.000 0.291 421 R C 0.088 176.415 176.300 0.046 0.000 0.974 421 R CA 0.217 56.334 56.100 0.030 0.000 1.077 421 R CB 0.364 30.720 30.300 0.094 0.000 0.926 421 R HN 0.274 nan 8.270 nan 0.000 0.407 422 K N 1.557 121.922 120.400 -0.058 0.000 2.118 422 K HA 0.260 4.580 4.320 -0.000 0.000 0.264 422 K C -0.382 176.161 176.600 -0.096 0.000 1.000 422 K CA -0.314 55.909 56.287 -0.105 0.000 0.929 422 K CB 1.887 34.258 32.500 -0.215 0.000 1.021 422 K HN 0.461 nan 8.250 nan 0.000 0.463 423 S N 1.585 117.228 115.700 -0.094 0.000 2.502 423 S HA 0.561 5.031 4.470 -0.000 0.000 0.304 423 S C -0.552 173.933 174.600 -0.192 0.000 1.097 423 S CA -0.716 57.389 58.200 -0.158 0.000 1.045 423 S CB 1.444 64.552 63.200 -0.153 0.000 1.019 423 S HN 0.499 nan 8.310 nan 0.000 0.481 424 M N 2.729 122.209 119.600 -0.199 0.000 2.457 424 M HA 0.736 5.216 4.480 -0.000 0.000 0.300 424 M C -1.767 174.409 176.300 -0.206 0.000 1.141 424 M CA -0.590 54.578 55.300 -0.221 0.000 0.901 424 M CB 1.920 34.394 32.600 -0.209 0.000 1.687 424 M HN 0.776 nan 8.290 nan 0.000 0.449 425 A N 2.816 125.497 122.820 -0.232 0.000 2.427 425 A HA 0.954 5.273 4.320 -0.000 0.000 0.298 425 A C -1.644 175.804 177.584 -0.228 0.000 1.036 425 A CA -0.457 51.454 52.037 -0.210 0.000 0.701 425 A CB 1.497 20.384 19.000 -0.188 0.000 1.250 425 A HN 0.967 nan 8.150 nan 0.000 0.412 426 A N 1.385 124.087 122.820 -0.196 0.000 2.486 426 A HA 0.925 5.245 4.320 -0.000 0.000 0.300 426 A C -0.349 177.162 177.584 -0.122 0.000 1.048 426 A CA 0.085 52.019 52.037 -0.172 0.000 0.696 426 A CB 1.458 20.344 19.000 -0.190 0.000 1.278 426 A HN 2.213 nan 8.150 nan 0.000 0.405 427 S N 0.431 116.091 115.700 -0.067 0.000 2.546 427 S HA 0.977 5.447 4.470 -0.000 0.000 0.274 427 S C 0.029 174.631 174.600 0.004 0.000 1.121 427 S CA 0.026 58.207 58.200 -0.032 0.000 0.887 427 S CB 1.431 64.621 63.200 -0.017 0.000 1.094 427 S HN 2.792 nan 8.310 nan 0.000 0.474 428 G N 1.759 110.560 108.800 0.002 0.000 2.250 428 G HA2 0.028 3.988 3.960 -0.000 0.000 0.252 428 G HA3 0.028 3.988 3.960 -0.000 0.000 0.252 428 G C -1.537 173.366 174.900 0.005 0.000 1.325 428 G CA -0.802 44.311 45.100 0.020 0.000 1.091 428 G HN 0.879 nan 8.290 nan 0.000 0.476 429 N N 1.304 120.014 118.700 0.016 0.000 2.439 429 N HA 0.311 5.051 4.740 -0.000 0.000 0.243 429 N C 1.155 176.663 175.510 -0.002 0.000 1.088 429 N CA -0.205 52.851 53.050 0.010 0.000 0.940 429 N CB 0.432 38.937 38.487 0.031 0.000 1.180 429 N HN 0.452 nan 8.380 nan 0.000 0.505 430 L N 2.349 123.547 121.223 -0.041 0.000 2.627 430 L HA 0.204 4.544 4.340 -0.000 0.000 0.232 430 L C 2.187 178.994 176.870 -0.105 0.000 1.150 430 L CA -0.150 54.640 54.840 -0.084 0.000 0.917 430 L CB -0.007 41.969 42.059 -0.139 0.000 1.104 430 L HN 0.508 nan 8.230 nan 0.000 0.445 431 G N -0.299 108.436 108.800 -0.108 0.000 2.475 431 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 431 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 431 G C 1.006 175.644 174.900 -0.436 0.000 1.125 431 G CA 0.903 45.852 45.100 -0.251 0.000 0.755 431 G HN 0.536 nan 8.290 nan 0.000 0.565 432 H N -1.321 117.738 119.070 -0.018 0.000 2.784 432 H HA 0.264 4.820 4.556 -0.000 0.000 0.273 432 H C 0.072 175.379 175.328 -0.035 0.000 1.112 432 H CA -0.133 55.906 56.048 -0.015 0.000 1.162 432 H CB 0.773 30.529 29.762 -0.011 0.000 1.586 432 H HN 0.086 nan 8.280 nan 0.000 0.548 433 T N 4.706 119.255 114.554 -0.009 0.000 2.749 433 T HA 0.164 4.514 4.350 -0.000 0.000 0.295 433 T C -2.350 172.274 174.700 -0.126 0.000 0.936 433 T CA -1.435 60.622 62.100 -0.072 0.000 1.060 433 T CB 1.283 70.076 68.868 -0.126 0.000 0.904 433 T HN 0.126 nan 8.240 nan 0.000 0.500 434 P HA 0.287 nan 4.420 nan 0.000 0.275 434 P C -0.421 176.822 177.300 -0.094 0.000 1.228 434 P CA -0.558 62.534 63.100 -0.013 0.000 0.786 434 P CB 0.560 32.286 31.700 0.043 0.000 0.927 435 F N 0.627 120.556 119.950 -0.035 0.000 2.390 435 F HA 0.145 4.671 4.527 -0.000 0.000 0.307 435 F C 2.378 178.144 175.800 -0.057 0.000 1.227 435 F CA -0.086 57.883 58.000 -0.051 0.000 1.179 435 F CB -0.180 38.792 39.000 -0.046 0.000 1.280 435 F HN 0.218 nan 8.300 nan 0.000 0.548 436 I N 0.264 120.917 120.570 0.138 0.000 2.142 436 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 436 I C 1.943 178.087 176.117 0.046 0.000 1.078 436 I CA 1.362 62.674 61.300 0.021 0.000 1.343 436 I CB -0.406 37.570 38.000 -0.039 0.000 1.046 436 I HN 0.596 nan 8.210 nan 0.000 0.405 437 D N 1.020 121.455 120.400 0.059 0.000 3.111 437 D HA -0.280 4.360 4.640 -0.000 0.000 0.190 437 D C 1.692 178.024 176.300 0.053 0.000 1.141 437 D CA 1.918 55.940 54.000 0.036 0.000 0.888 437 D CB -0.133 40.672 40.800 0.008 0.000 0.905 437 D HN 0.553 nan 8.370 nan 0.000 0.497 438 E N -0.970 119.284 120.200 0.090 0.000 2.481 438 E HA 0.173 4.523 4.350 -0.000 0.000 0.198 438 E C 0.689 177.351 176.600 0.104 0.000 1.027 438 E CA -0.311 56.143 56.400 0.091 0.000 0.900 438 E CB 0.672 30.439 29.700 0.112 0.000 0.993 438 E HN 0.282 nan 8.360 nan 0.000 0.482 439 L N 0.000 121.296 121.223 0.121 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.963 54.840 0.205 0.000 0.813 439 L CB 0.000 42.158 42.059 0.165 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502