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 1h0c_1_A DATA FIRST_RESID 4 DATA SEQUENCE HKLLVTPPKA LLKPLSIPNQ LLLGPGPSNL PPRIMAAGGL QMIGSMSKDM DATA SEQUENCE YQIMDEIKEG IQYVFQTRNP LTLVISGSGH CALEAALVNV LEPGDSFLVG DATA SEQUENCE ANGIWGQRAV DIGERIGXXV HPMTKDPGGH YTLQEVEEGL AQHKPVLLFL DATA SEQUENCE THGESSTGVL QPLDGFGELC HRYKCLLLVD SVASLGGTPL YMDRQGIDIL DATA SEQUENCE YSGSQKALNA PPGTSLISFS DKAKKKMYSR KTKPFSFYLD IKWLANFWGC DATA SEQUENCE DDQPRMYHHT IPVISLYSLR ESLALIAEQG LENSWRQHRE AAAYLHGRLQ DATA SEQUENCE ALGLQLFVKD PALRLPTVTT VAVPAGYDWR DIVSYVIDHF DIEIMGGLGP DATA SEQUENCE STGKVLRIGL LGCNATRENV DRVTEALRAA LQHCPKKK 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 4 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.326 175.328 -0.004 0.000 0.993 4 H CA 0.000 56.046 56.048 -0.003 0.000 1.023 4 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 5 K N 1.076 121.561 120.400 0.143 0.000 2.400 5 K HA 0.330 4.650 4.320 0.001 0.000 0.253 5 K C -0.309 176.308 176.600 0.027 0.000 1.076 5 K CA -0.068 56.270 56.287 0.084 0.000 0.887 5 K CB 0.243 32.783 32.500 0.065 0.000 1.168 5 K HN 0.130 nan 8.250 nan 0.000 0.505 6 L N 2.118 123.354 121.223 0.022 0.000 2.264 6 L HA 0.207 4.547 4.340 0.001 0.000 0.289 6 L C 1.051 177.925 176.870 0.007 0.000 1.044 6 L CA -0.341 54.503 54.840 0.006 0.000 0.807 6 L CB 0.647 42.710 42.059 0.006 0.000 1.192 6 L HN 0.497 nan 8.230 nan 0.000 0.425 7 L N 3.514 124.738 121.223 0.001 0.000 1.989 7 L HA -0.098 4.243 4.340 0.001 0.000 0.211 7 L C 0.554 177.425 176.870 0.001 0.000 1.071 7 L CA 1.071 55.911 54.840 0.002 0.000 0.749 7 L CB -0.263 41.795 42.059 -0.002 0.000 0.890 7 L HN 0.379 nan 8.230 nan 0.000 0.431 8 V N -0.259 119.655 119.914 -0.001 0.000 2.509 8 V HA 0.222 4.343 4.120 0.001 0.000 0.284 8 V C 0.316 176.411 176.094 0.001 0.000 1.047 8 V CA -0.684 61.615 62.300 -0.001 0.000 0.952 8 V CB 1.053 32.875 31.823 -0.003 0.000 0.988 8 V HN 0.338 nan 8.190 nan 0.000 0.469 9 T N 2.495 117.050 114.554 0.001 0.000 2.928 9 T HA 0.557 4.908 4.350 0.001 0.000 0.284 9 T C -2.626 172.075 174.700 0.001 0.000 1.008 9 T CA -2.164 59.937 62.100 0.002 0.000 1.057 9 T CB 1.117 69.986 68.868 0.002 0.000 1.018 9 T HN 0.497 nan 8.240 nan 0.000 0.493 10 P HA 0.177 nan 4.420 nan 0.000 0.258 10 P C -2.387 174.913 177.300 0.000 0.000 1.172 10 P CA -0.587 62.513 63.100 0.000 0.000 0.762 10 P CB -0.644 31.056 31.700 0.001 0.000 0.764 11 P HA 0.008 nan 4.420 nan 0.000 0.263 11 P C 0.569 177.869 177.300 -0.000 0.000 1.195 11 P CA 0.092 63.191 63.100 -0.000 0.000 0.762 11 P CB 0.624 32.324 31.700 -0.001 0.000 0.799 12 K N 3.264 123.664 120.400 -0.000 0.000 2.074 12 K HA -0.193 4.127 4.320 0.001 0.000 0.209 12 K C 2.032 178.632 176.600 -0.000 0.000 1.048 12 K CA 2.104 58.391 56.287 -0.000 0.000 0.926 12 K CB -0.973 31.526 32.500 -0.001 0.000 0.713 12 K HN 0.475 nan 8.250 nan 0.000 0.444 13 A N 0.701 123.521 122.820 -0.000 0.000 1.940 13 A HA -0.141 4.180 4.320 0.001 0.000 0.219 13 A C 2.074 179.658 177.584 0.001 0.000 1.176 13 A CA 1.381 53.418 52.037 -0.000 0.000 0.631 13 A CB -0.668 18.332 19.000 -0.000 0.000 0.814 13 A HN 0.226 nan 8.150 nan 0.000 0.446 14 L N -0.762 120.462 121.223 0.001 0.000 2.291 14 L HA -0.025 4.316 4.340 0.001 0.000 0.214 14 L C 1.870 178.741 176.870 0.002 0.000 1.120 14 L CA 0.399 55.240 54.840 0.002 0.000 0.799 14 L CB -0.281 41.778 42.059 0.001 0.000 0.925 14 L HN 0.366 nan 8.230 nan 0.000 0.446 15 L N -0.628 120.596 121.223 0.001 0.000 2.610 15 L HA -0.018 4.322 4.340 0.001 0.000 0.232 15 L C 0.873 177.744 176.870 0.002 0.000 1.149 15 L CA 0.471 55.312 54.840 0.001 0.000 0.872 15 L CB -0.261 41.799 42.059 0.001 0.000 0.992 15 L HN 0.171 nan 8.230 nan 0.000 0.447 16 K N 0.104 120.505 120.400 0.002 0.000 2.132 16 K HA 0.422 4.743 4.320 0.001 0.000 0.241 16 K C -2.239 174.363 176.600 0.003 0.000 1.000 16 K CA -1.824 54.464 56.287 0.002 0.000 0.911 16 K CB 0.557 33.057 32.500 0.001 0.000 1.093 16 K HN -0.228 nan 8.250 nan 0.000 0.460 17 P HA 0.108 nan 4.420 nan 0.000 0.278 17 P C -0.827 176.475 177.300 0.005 0.000 1.238 17 P CA -0.544 62.558 63.100 0.004 0.000 0.794 17 P CB 0.530 32.233 31.700 0.004 0.000 0.955 18 L N 1.948 123.175 121.223 0.006 0.000 2.410 18 L HA 0.236 4.577 4.340 0.001 0.000 0.273 18 L C -0.055 176.819 176.870 0.008 0.000 1.144 18 L CA 0.453 55.297 54.840 0.007 0.000 0.863 18 L CB 0.216 42.280 42.059 0.010 0.000 1.140 18 L HN 0.371 nan 8.230 nan 0.000 0.463 19 S N 6.165 121.869 115.700 0.007 0.000 2.707 19 S HA 0.557 5.028 4.470 0.001 0.000 0.303 19 S C -0.654 173.951 174.600 0.008 0.000 1.132 19 S CA -0.780 57.424 58.200 0.007 0.000 1.046 19 S CB 0.914 64.117 63.200 0.004 0.000 1.004 19 S HN 0.541 nan 8.310 nan 0.000 0.483 20 I N 3.739 124.315 120.570 0.010 0.000 2.404 20 I HA 0.733 4.904 4.170 0.001 0.000 0.293 20 I C -2.017 174.106 176.117 0.011 0.000 0.992 20 I CA -1.906 59.401 61.300 0.012 0.000 1.149 20 I CB 1.070 39.080 38.000 0.016 0.000 1.315 20 I HN 0.398 nan 8.210 nan 0.000 0.446 21 P HA 0.201 nan 4.420 nan 0.000 0.270 21 P C -0.562 176.747 177.300 0.014 0.000 1.223 21 P CA -0.108 62.997 63.100 0.008 0.000 0.785 21 P CB 0.300 32.003 31.700 0.004 0.000 0.923 22 N N 1.313 120.022 118.700 0.015 0.000 2.426 22 N HA 0.284 5.024 4.740 0.001 0.000 0.257 22 N C -0.210 175.316 175.510 0.027 0.000 1.002 22 N CA -0.728 52.336 53.050 0.022 0.000 0.942 22 N CB 0.337 38.837 38.487 0.022 0.000 1.112 22 N HN 0.536 nan 8.380 nan 0.000 0.499 23 Q N 0.482 120.302 119.800 0.033 0.000 2.356 23 Q HA 0.477 4.818 4.340 0.001 0.000 0.270 23 Q C -1.280 174.748 176.000 0.047 0.000 1.058 23 Q CA -0.960 54.867 55.803 0.041 0.000 0.802 23 Q CB 2.729 31.491 28.738 0.039 0.000 1.303 23 Q HN 0.596 nan 8.270 nan 0.000 0.444 24 L N 3.473 124.729 121.223 0.056 0.000 2.268 24 L HA 0.300 4.641 4.340 0.001 0.000 0.289 24 L C -1.216 175.688 176.870 0.057 0.000 1.064 24 L CA -0.024 54.849 54.840 0.055 0.000 0.824 24 L CB 0.387 42.483 42.059 0.061 0.000 1.202 24 L HN 0.575 nan 8.230 nan 0.000 0.433 25 L N 7.246 128.501 121.223 0.053 0.000 2.363 25 L HA 0.226 4.566 4.340 0.001 0.000 0.286 25 L C 0.151 177.055 176.870 0.056 0.000 1.106 25 L CA 0.042 54.916 54.840 0.056 0.000 0.859 25 L CB 0.142 42.235 42.059 0.055 0.000 1.223 25 L HN 0.641 nan 8.230 nan 0.000 0.446 26 L N 3.575 124.832 121.223 0.056 0.000 3.209 26 L HA 0.385 4.726 4.340 0.001 0.000 0.279 26 L C 0.785 177.688 176.870 0.054 0.000 1.301 26 L CA -0.247 54.625 54.840 0.053 0.000 1.004 26 L CB 0.575 42.661 42.059 0.045 0.000 1.402 26 L HN 0.621 nan 8.230 nan 0.000 0.577 27 G N 0.085 108.920 108.800 0.059 0.000 2.887 27 G HA2 0.413 4.374 3.960 0.001 0.000 0.277 27 G HA3 0.413 4.374 3.960 0.001 0.000 0.277 27 G C -2.066 172.871 174.900 0.062 0.000 1.346 27 G CA -0.802 44.333 45.100 0.059 0.000 1.058 27 G HN -0.085 nan 8.290 nan 0.000 0.535 28 P HA 0.172 nan 4.420 nan 0.000 0.244 28 P C 0.592 177.939 177.300 0.079 0.000 1.211 28 P CA 1.193 64.338 63.100 0.074 0.000 0.760 28 P CB 0.032 31.788 31.700 0.093 0.000 0.961 29 G N 0.132 108.978 108.800 0.076 0.000 2.402 29 G HA2 0.097 4.058 3.960 0.001 0.000 0.666 29 G HA3 0.097 4.058 3.960 0.001 0.000 0.666 29 G C -3.393 171.556 174.900 0.081 0.000 1.402 29 G CA -0.993 44.151 45.100 0.074 0.000 0.920 29 G HN -0.123 nan 8.290 nan 0.000 0.651 30 P HA 0.551 nan 4.420 nan 0.000 0.275 30 P C 0.261 177.598 177.300 0.062 0.000 1.266 30 P CA -0.165 62.975 63.100 0.066 0.000 0.793 30 P CB 0.918 32.656 31.700 0.064 0.000 1.074 31 S N -0.602 115.134 115.700 0.059 0.000 2.704 31 S HA 0.421 4.892 4.470 0.001 0.000 0.305 31 S C 0.006 174.639 174.600 0.054 0.000 1.107 31 S CA -0.922 57.313 58.200 0.059 0.000 0.993 31 S CB 0.575 63.813 63.200 0.063 0.000 1.110 31 S HN 0.274 nan 8.310 nan 0.000 0.534 32 N N 0.504 119.235 118.700 0.052 0.000 2.416 32 N HA 0.241 4.982 4.740 0.001 0.000 0.246 32 N C -0.768 174.770 175.510 0.046 0.000 1.260 32 N CA 0.146 53.224 53.050 0.047 0.000 0.897 32 N CB 0.112 38.625 38.487 0.043 0.000 1.110 32 N HN 0.553 nan 8.380 nan 0.000 0.439 33 L N 2.641 123.890 121.223 0.043 0.000 2.282 33 L HA 0.423 4.764 4.340 0.001 0.000 0.288 33 L C -1.989 174.904 176.870 0.038 0.000 1.033 33 L CA -1.783 53.083 54.840 0.043 0.000 0.807 33 L CB 1.259 43.345 42.059 0.045 0.000 1.209 33 L HN 0.254 nan 8.230 nan 0.000 0.423 34 P HA 0.128 nan 4.420 nan 0.000 0.271 34 P C -2.087 175.231 177.300 0.029 0.000 1.233 34 P CA -1.055 62.063 63.100 0.030 0.000 0.789 34 P CB 0.124 31.841 31.700 0.029 0.000 0.951 35 P HA -0.127 nan 4.420 nan 0.000 0.216 35 P C 1.517 178.832 177.300 0.024 0.000 1.150 35 P CA 1.412 64.526 63.100 0.023 0.000 0.837 35 P CB 0.009 31.720 31.700 0.018 0.000 0.786 36 R N -0.361 120.153 120.500 0.023 0.000 2.115 36 R HA -0.096 4.245 4.340 0.001 0.000 0.230 36 R C 1.857 178.177 176.300 0.033 0.000 1.111 36 R CA 1.215 57.329 56.100 0.022 0.000 0.976 36 R CB -0.449 29.862 30.300 0.017 0.000 0.870 36 R HN 0.071 nan 8.270 nan 0.000 0.445 37 I N 0.567 121.161 120.570 0.039 0.000 2.233 37 I HA -0.208 3.962 4.170 0.001 0.000 0.243 37 I C 2.264 178.415 176.117 0.056 0.000 1.093 37 I CA 1.331 62.662 61.300 0.052 0.000 1.380 37 I CB -1.072 36.959 38.000 0.052 0.000 1.067 37 I HN 0.258 nan 8.210 nan 0.000 0.413 38 M N 0.749 120.377 119.600 0.047 0.000 2.108 38 M HA -0.188 4.292 4.480 0.001 0.000 0.261 38 M C 2.435 178.765 176.300 0.050 0.000 1.066 38 M CA 2.155 57.483 55.300 0.047 0.000 1.107 38 M CB -0.499 32.124 32.600 0.038 0.000 1.356 38 M HN 0.259 nan 8.290 nan 0.000 0.406 39 A N 0.291 123.137 122.820 0.042 0.000 1.933 39 A HA -0.063 4.258 4.320 0.001 0.000 0.218 39 A C 2.373 179.991 177.584 0.056 0.000 1.175 39 A CA 1.892 53.953 52.037 0.039 0.000 0.628 39 A CB -0.932 18.083 19.000 0.024 0.000 0.814 39 A HN 0.509 nan 8.150 nan 0.000 0.444 40 A N -0.500 122.361 122.820 0.069 0.000 1.933 40 A HA 0.132 4.453 4.320 0.001 0.000 0.218 40 A C 2.372 180.062 177.584 0.176 0.000 1.175 40 A CA 1.812 53.916 52.037 0.111 0.000 0.628 40 A CB -1.298 17.770 19.000 0.112 0.000 0.814 40 A HN 0.743 nan 8.150 nan 0.000 0.444 41 G N -0.743 108.130 108.800 0.122 0.000 2.448 41 G HA2 0.101 4.062 3.960 0.001 0.000 0.219 41 G HA3 0.101 4.062 3.960 0.001 0.000 0.219 41 G C 1.223 176.184 174.900 0.103 0.000 1.127 41 G CA 1.042 46.206 45.100 0.107 0.000 0.766 41 G HN 0.771 nan 8.290 nan 0.000 0.552 42 G N -0.127 108.730 108.800 0.094 0.000 3.233 42 G HA2 0.422 4.383 3.960 0.001 0.000 0.227 42 G HA3 0.422 4.383 3.960 0.001 0.000 0.227 42 G C 0.481 175.439 174.900 0.097 0.000 1.175 42 G CA -0.511 44.636 45.100 0.079 0.000 0.781 42 G HN 0.329 nan 8.290 nan 0.000 0.542 43 L N -0.060 121.259 121.223 0.159 0.000 2.456 43 L HA 0.371 4.712 4.340 0.001 0.000 0.257 43 L C 0.795 177.792 176.870 0.211 0.000 1.162 43 L CA -0.960 53.982 54.840 0.170 0.000 0.808 43 L CB 0.867 43.020 42.059 0.157 0.000 1.136 43 L HN 0.082 nan 8.230 nan 0.000 0.466 44 Q N 1.248 121.145 119.800 0.162 0.000 2.471 44 Q HA 0.205 4.546 4.340 0.001 0.000 0.223 44 Q C -0.483 175.647 176.000 0.217 0.000 1.045 44 Q CA -0.012 55.872 55.803 0.135 0.000 0.956 44 Q CB 0.840 29.626 28.738 0.080 0.000 1.249 44 Q HN 0.446 nan 8.270 nan 0.000 0.549 45 M N 2.701 122.375 119.600 0.123 0.000 2.288 45 M HA 0.494 4.974 4.480 0.001 0.000 0.334 45 M C -0.912 175.457 176.300 0.114 0.000 1.150 45 M CA -0.317 55.040 55.300 0.096 0.000 1.118 45 M CB 0.711 33.321 32.600 0.016 0.000 1.501 45 M HN 0.612 nan 8.290 nan 0.000 0.462 46 I N -0.071 120.573 120.570 0.124 0.000 3.206 46 I HA 0.845 5.015 4.170 0.001 0.000 0.313 46 I C 0.191 176.319 176.117 0.018 0.000 1.103 46 I CA -1.457 59.891 61.300 0.079 0.000 0.985 46 I CB 1.606 39.671 38.000 0.108 0.000 1.240 46 I HN 0.723 nan 8.210 nan 0.000 0.464 47 G N 1.258 110.049 108.800 -0.015 0.000 2.340 47 G HA2 0.202 4.163 3.960 0.001 0.000 0.245 47 G HA3 0.202 4.163 3.960 0.001 0.000 0.245 47 G C 0.916 175.780 174.900 -0.060 0.000 1.294 47 G CA 0.129 45.204 45.100 -0.042 0.000 0.896 47 G HN 0.893 nan 8.290 nan 0.000 0.522 48 S N 1.955 117.634 115.700 -0.036 0.000 2.500 48 S HA -0.067 4.403 4.470 0.001 0.000 0.239 48 S C 1.452 176.072 174.600 0.034 0.000 0.989 48 S CA 0.884 59.084 58.200 0.000 0.000 0.951 48 S CB -0.074 63.133 63.200 0.013 0.000 0.759 48 S HN 0.552 nan 8.310 nan 0.000 0.523 49 M N 1.778 121.339 119.600 -0.064 0.000 2.504 49 M HA 0.218 4.698 4.480 0.001 0.000 0.370 49 M C 0.145 176.145 176.300 -0.499 0.000 1.110 49 M CA -0.283 54.925 55.300 -0.153 0.000 0.938 49 M CB 1.010 33.721 32.600 0.185 0.000 1.460 49 M HN 0.351 nan 8.290 nan 0.000 0.535 50 S N 0.146 115.588 115.700 -0.429 0.000 2.608 50 S HA 0.177 4.648 4.470 0.001 0.000 0.261 50 S C 1.003 175.291 174.600 -0.521 0.000 1.314 50 S CA -0.445 57.551 58.200 -0.340 0.000 0.992 50 S CB 1.502 64.595 63.200 -0.179 0.000 0.935 50 S HN 0.449 nan 8.310 nan 0.000 0.564 51 K N 0.704 120.960 120.400 -0.239 0.000 2.097 51 K HA -0.161 4.160 4.320 0.001 0.000 0.205 51 K C 1.094 177.632 176.600 -0.104 0.000 1.050 51 K CA 1.940 58.159 56.287 -0.115 0.000 0.938 51 K CB -0.538 31.956 32.500 -0.010 0.000 0.718 51 K HN 0.737 nan 8.250 nan 0.000 0.442 52 D N 0.230 120.565 120.400 -0.109 0.000 2.144 52 D HA -0.163 4.478 4.640 0.001 0.000 0.200 52 D C 1.759 178.022 176.300 -0.062 0.000 0.978 52 D CA 1.278 55.240 54.000 -0.063 0.000 0.833 52 D CB 0.002 40.773 40.800 -0.048 0.000 0.961 52 D HN 0.155 nan 8.370 nan 0.000 0.470 53 M N -0.503 119.013 119.600 -0.140 0.000 2.117 53 M HA -0.140 4.340 4.480 0.001 0.000 0.262 53 M C 1.353 177.607 176.300 -0.075 0.000 1.065 53 M CA 1.578 56.813 55.300 -0.109 0.000 1.114 53 M CB -0.472 32.007 32.600 -0.202 0.000 1.361 53 M HN 0.205 nan 8.290 nan 0.000 0.408 54 Y N -1.074 119.166 120.300 -0.099 0.000 2.181 54 Y HA -0.291 4.260 4.550 0.002 0.000 0.288 54 Y C 2.590 178.436 175.900 -0.091 0.000 1.146 54 Y CA 0.953 58.956 58.100 -0.161 0.000 1.164 54 Y CB -0.433 37.932 38.460 -0.158 0.000 0.982 54 Y HN 0.319 nan 8.280 nan 0.000 0.515 55 Q N 1.220 121.078 119.800 0.096 0.000 2.096 55 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 55 Q C 1.828 177.863 176.000 0.058 0.000 0.982 55 Q CA 1.840 57.678 55.803 0.060 0.000 0.850 55 Q CB -0.562 28.195 28.738 0.030 0.000 0.901 55 Q HN 0.576 nan 8.270 nan 0.000 0.422 56 I N -0.478 120.127 120.570 0.058 0.000 2.394 56 I HA -0.253 3.918 4.170 0.001 0.000 0.251 56 I C 2.311 178.501 176.117 0.122 0.000 1.136 56 I CA 0.992 62.341 61.300 0.083 0.000 1.425 56 I CB -0.213 37.851 38.000 0.107 0.000 1.079 56 I HN 0.321 nan 8.210 nan 0.000 0.425 57 M N 0.238 119.898 119.600 0.100 0.000 2.086 57 M HA -0.223 4.258 4.480 0.001 0.000 0.261 57 M C 1.778 178.211 176.300 0.222 0.000 1.067 57 M CA 1.781 57.162 55.300 0.135 0.000 1.116 57 M CB -0.328 32.175 32.600 -0.160 0.000 1.348 57 M HN 0.163 nan 8.290 nan 0.000 0.407 58 D N 0.193 120.669 120.400 0.126 0.000 2.117 58 D HA -0.152 4.488 4.640 0.001 0.000 0.197 58 D C 1.839 178.203 176.300 0.106 0.000 0.987 58 D CA 1.264 55.332 54.000 0.113 0.000 0.829 58 D CB -0.399 40.439 40.800 0.063 0.000 0.961 58 D HN 0.478 nan 8.370 nan 0.000 0.460 59 E N 0.365 120.619 120.200 0.090 0.000 2.118 59 E HA -0.130 4.220 4.350 0.001 0.000 0.195 59 E C 2.339 178.986 176.600 0.079 0.000 0.992 59 E CA 0.503 56.943 56.400 0.066 0.000 0.804 59 E CB -0.090 29.639 29.700 0.049 0.000 0.741 59 E HN 0.332 nan 8.360 nan 0.000 0.458 60 I N 1.038 121.685 120.570 0.129 0.000 2.394 60 I HA -0.247 3.924 4.170 0.001 0.000 0.251 60 I C 2.398 178.558 176.117 0.073 0.000 1.136 60 I CA 1.054 62.426 61.300 0.121 0.000 1.425 60 I CB -0.081 38.048 38.000 0.216 0.000 1.079 60 I HN 0.015 nan 8.210 nan 0.000 0.425 61 K N 0.732 121.203 120.400 0.117 0.000 2.001 61 K HA -0.180 4.141 4.320 0.001 0.000 0.208 61 K C 2.009 178.625 176.600 0.027 0.000 1.048 61 K CA 1.447 57.770 56.287 0.061 0.000 0.932 61 K CB -0.059 32.515 32.500 0.124 0.000 0.715 61 K HN 0.285 nan 8.250 nan 0.000 0.437 62 E N -0.477 119.752 120.200 0.048 0.000 2.160 62 E HA -0.173 4.177 4.350 0.001 0.000 0.195 62 E C 2.030 178.660 176.600 0.050 0.000 0.991 62 E CA 1.061 57.488 56.400 0.045 0.000 0.810 62 E CB -0.135 29.585 29.700 0.035 0.000 0.742 62 E HN 0.471 nan 8.360 nan 0.000 0.466 63 G N 1.371 110.190 108.800 0.032 0.000 2.418 63 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 63 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 63 G C 1.595 176.488 174.900 -0.011 0.000 1.158 63 G CA 0.539 45.660 45.100 0.035 0.000 0.771 63 G HN 0.134 nan 8.290 nan 0.000 0.545 64 I N 0.233 120.730 120.570 -0.121 0.000 2.315 64 I HA -0.163 4.008 4.170 0.001 0.000 0.248 64 I C 2.942 178.893 176.117 -0.277 0.000 1.117 64 I CA 0.878 61.967 61.300 -0.352 0.000 1.404 64 I CB -0.299 37.416 38.000 -0.474 0.000 1.071 64 I HN 0.226 nan 8.210 nan 0.000 0.419 65 Q N -0.043 119.717 119.800 -0.066 0.000 2.084 65 Q HA -0.254 4.087 4.340 0.001 0.000 0.202 65 Q C 2.192 178.246 176.000 0.089 0.000 0.978 65 Q CA 1.916 57.746 55.803 0.044 0.000 0.844 65 Q CB -0.338 28.442 28.738 0.070 0.000 0.898 65 Q HN 0.525 nan 8.270 nan 0.000 0.426 66 Y N 1.110 121.403 120.300 -0.012 0.000 2.133 66 Y HA -0.215 4.336 4.550 0.001 0.000 0.287 66 Y C 2.151 178.061 175.900 0.017 0.000 1.134 66 Y CA 1.534 59.635 58.100 0.002 0.000 1.133 66 Y CB -0.322 38.123 38.460 -0.025 0.000 0.987 66 Y HN 0.019 nan 8.280 nan 0.000 0.502 67 V N -2.380 117.444 119.914 -0.151 0.000 2.809 67 V HA -0.162 3.958 4.120 0.001 0.000 0.256 67 V C 2.008 178.151 176.094 0.082 0.000 1.080 67 V CA 1.658 63.863 62.300 -0.159 0.000 1.102 67 V CB -1.186 30.605 31.823 -0.053 0.000 0.705 67 V HN 0.444 nan 8.190 nan 0.000 0.475 68 F N -0.614 119.276 119.950 -0.100 0.000 2.387 68 F HA 0.220 4.748 4.527 0.002 0.000 0.294 68 F C 1.114 176.875 175.800 -0.064 0.000 1.093 68 F CA 0.143 58.097 58.000 -0.076 0.000 1.420 68 F CB 0.359 39.327 39.000 -0.053 0.000 1.086 68 F HN 0.191 nan 8.300 nan 0.000 0.531 69 Q N 1.430 121.307 119.800 0.129 0.000 2.407 69 Q HA -0.165 4.175 4.340 0.001 0.000 0.323 69 Q C -0.387 175.697 176.000 0.140 0.000 1.421 69 Q CA 0.875 56.736 55.803 0.096 0.000 0.799 69 Q CB -1.647 27.154 28.738 0.104 0.000 1.073 69 Q HN 0.442 nan 8.270 nan 0.000 0.345 70 T N -1.148 113.490 114.554 0.140 0.000 2.802 70 T HA 0.619 4.969 4.350 0.001 0.000 0.311 70 T C -0.019 174.748 174.700 0.110 0.000 1.405 70 T CA -0.569 61.608 62.100 0.128 0.000 1.016 70 T CB 1.232 70.190 68.868 0.151 0.000 1.352 70 T HN 0.352 nan 8.240 nan 0.000 0.498 71 R N 1.156 121.713 120.500 0.095 0.000 2.535 71 R HA 0.241 4.581 4.340 0.001 0.000 0.323 71 R C 0.066 176.413 176.300 0.078 0.000 0.979 71 R CA -0.332 55.816 56.100 0.080 0.000 1.120 71 R CB 0.030 30.370 30.300 0.067 0.000 1.306 71 R HN 0.604 nan 8.270 nan 0.000 0.540 72 N N 2.943 121.699 118.700 0.093 0.000 2.301 72 N HA -0.069 4.672 4.740 0.001 0.000 0.267 72 N C -1.976 173.589 175.510 0.092 0.000 1.304 72 N CA -0.763 52.347 53.050 0.099 0.000 0.851 72 N CB 0.703 39.267 38.487 0.128 0.000 1.070 72 N HN -0.116 nan 8.380 nan 0.000 0.483 73 P HA -0.095 nan 4.420 nan 0.000 0.219 73 P C 0.313 177.669 177.300 0.094 0.000 1.150 73 P CA 0.658 63.798 63.100 0.067 0.000 0.814 73 P CB 0.305 32.027 31.700 0.038 0.000 0.787 74 L N 0.689 121.990 121.223 0.130 0.000 2.384 74 L HA 0.239 4.580 4.340 0.001 0.000 0.258 74 L C -0.624 176.373 176.870 0.213 0.000 1.266 74 L CA 0.544 55.501 54.840 0.195 0.000 1.162 74 L CB -1.398 40.814 42.059 0.255 0.000 1.375 74 L HN -0.206 nan 8.230 nan 0.000 0.420 75 T N 4.879 119.503 114.554 0.117 0.000 2.879 75 T HA 0.771 5.122 4.350 0.001 0.000 0.290 75 T C -0.772 173.875 174.700 -0.088 0.000 0.993 75 T CA -0.429 61.691 62.100 0.033 0.000 0.975 75 T CB 1.624 70.508 68.868 0.026 0.000 0.981 75 T HN 0.368 nan 8.240 nan 0.000 0.439 76 L N 0.459 121.534 121.223 -0.247 0.000 3.064 76 L HA 0.844 5.184 4.340 0.001 0.000 0.282 76 L C -1.452 174.976 176.870 -0.736 0.000 1.045 76 L CA -1.242 53.199 54.840 -0.665 0.000 0.986 76 L CB 0.417 41.931 42.059 -0.909 0.000 1.571 76 L HN 0.303 nan 8.230 nan 0.000 0.377 77 V N 2.100 121.257 119.914 -1.261 0.000 2.481 77 V HA 0.523 4.643 4.120 0.001 0.000 0.286 77 V C -0.091 175.815 176.094 -0.314 0.000 1.042 77 V CA -0.377 61.558 62.300 -0.608 0.000 0.928 77 V CB 1.368 32.971 31.823 -0.367 0.000 0.986 77 V HN 0.490 nan 8.190 nan 0.000 0.462 78 I N 3.310 123.814 120.570 -0.109 0.000 2.331 78 I HA 0.234 4.405 4.170 0.001 0.000 0.292 78 I C 0.827 176.991 176.117 0.077 0.000 0.998 78 I CA 0.090 61.378 61.300 -0.021 0.000 1.267 78 I CB 1.622 39.609 38.000 -0.022 0.000 1.386 78 I HN 0.613 nan 8.210 nan 0.000 0.476 79 S N 5.463 121.234 115.700 0.118 0.000 4.085 79 S HA 0.494 4.965 4.470 0.001 0.000 0.189 79 S C 0.593 175.323 174.600 0.216 0.000 1.392 79 S CA -0.439 57.889 58.200 0.212 0.000 0.972 79 S CB -0.281 63.117 63.200 0.329 0.000 1.482 79 S HN 0.935 nan 8.310 nan 0.000 0.446 80 G N 0.739 109.641 108.800 0.169 0.000 2.550 80 G HA2 0.545 4.506 3.960 0.001 0.000 0.293 80 G HA3 0.545 4.506 3.960 0.001 0.000 0.293 80 G C -0.530 174.447 174.900 0.129 0.000 1.402 80 G CA -0.496 44.708 45.100 0.173 0.000 0.784 80 G HN 0.398 nan 8.290 nan 0.000 0.482 81 S N -1.052 114.725 115.700 0.128 0.000 2.632 81 S HA 0.549 5.019 4.470 0.001 0.000 0.267 81 S C 1.984 176.663 174.600 0.131 0.000 1.193 81 S CA 0.848 59.125 58.200 0.128 0.000 1.003 81 S CB 0.732 64.017 63.200 0.142 0.000 1.073 81 S HN 1.887 nan 8.310 nan 0.000 0.553 82 G N 0.327 109.208 108.800 0.135 0.000 2.599 82 G HA2 -0.299 3.662 3.960 0.001 0.000 0.219 82 G HA3 -0.299 3.662 3.960 0.001 0.000 0.219 82 G C 1.196 176.127 174.900 0.051 0.000 1.193 82 G CA 1.674 46.837 45.100 0.105 0.000 0.778 82 G HN 0.899 nan 8.290 nan 0.000 0.589 83 H N -0.762 118.336 119.070 0.047 0.000 2.321 83 H HA -0.122 4.434 4.556 0.001 0.000 0.295 83 H C 2.651 177.961 175.328 -0.029 0.000 1.102 83 H CA 1.493 57.563 56.048 0.037 0.000 1.266 83 H CB -0.828 28.989 29.762 0.091 0.000 1.363 83 H HN 0.383 nan 8.280 nan 0.000 0.492 84 C N 0.462 119.848 119.300 0.143 0.000 2.410 84 C HA -0.091 4.370 4.460 0.001 0.000 0.281 84 C C 2.950 177.929 174.990 -0.018 0.000 1.318 84 C CA 0.948 60.016 59.018 0.083 0.000 1.776 84 C CB -1.474 26.341 27.740 0.125 0.000 1.942 84 C HN 0.640 nan 8.230 nan 0.000 0.508 85 A N -0.377 122.385 122.820 -0.097 0.000 1.898 85 A HA 0.029 4.349 4.320 0.001 0.000 0.214 85 A C 1.982 179.267 177.584 -0.497 0.000 1.183 85 A CA 1.361 53.270 52.037 -0.213 0.000 0.622 85 A CB -0.700 18.227 19.000 -0.123 0.000 0.824 85 A HN 0.532 nan 8.150 nan 0.000 0.444 86 L N 0.484 121.257 121.223 -0.751 0.000 1.989 86 L HA -0.175 4.166 4.340 0.001 0.000 0.211 86 L C 2.189 178.889 176.870 -0.284 0.000 1.071 86 L CA 2.855 57.245 54.840 -0.749 0.000 0.749 86 L CB -1.041 40.730 42.059 -0.479 0.000 0.890 86 L HN 0.594 nan 8.230 nan 0.000 0.431 87 E N -0.632 119.479 120.200 -0.148 0.000 2.058 87 E HA -0.239 4.112 4.350 0.001 0.000 0.194 87 E C 2.090 178.667 176.600 -0.039 0.000 0.997 87 E CA 1.483 57.854 56.400 -0.048 0.000 0.801 87 E CB -0.290 29.422 29.700 0.020 0.000 0.746 87 E HN 0.611 nan 8.360 nan 0.000 0.450 88 A N 0.808 123.603 122.820 -0.041 0.000 1.972 88 A HA -0.116 4.205 4.320 0.001 0.000 0.219 88 A C 2.323 179.932 177.584 0.043 0.000 1.169 88 A CA 1.791 53.827 52.037 -0.002 0.000 0.635 88 A CB -0.762 18.242 19.000 0.006 0.000 0.810 88 A HN 0.434 nan 8.150 nan 0.000 0.446 89 A N 0.009 122.834 122.820 0.009 0.000 1.841 89 A HA -0.018 4.303 4.320 0.001 0.000 0.214 89 A C 2.164 179.775 177.584 0.044 0.000 1.195 89 A CA 1.452 53.553 52.037 0.108 0.000 0.611 89 A CB -0.691 18.314 19.000 0.009 0.000 0.835 89 A HN 0.449 nan 8.150 nan 0.000 0.443 90 L N -0.195 120.995 121.223 -0.055 0.000 2.017 90 L HA -0.160 4.180 4.340 0.001 0.000 0.208 90 L C 2.451 179.254 176.870 -0.112 0.000 1.073 90 L CA 1.283 56.036 54.840 -0.145 0.000 0.745 90 L CB -0.736 41.205 42.059 -0.197 0.000 0.894 90 L HN 0.248 nan 8.230 nan 0.000 0.432 91 V N -0.122 119.757 119.914 -0.059 0.000 2.867 91 V HA -0.212 3.908 4.120 0.001 0.000 0.260 91 V C 1.861 177.890 176.094 -0.109 0.000 1.099 91 V CA 1.492 63.765 62.300 -0.046 0.000 1.122 91 V CB -0.683 31.146 31.823 0.009 0.000 0.708 91 V HN 0.514 nan 8.190 nan 0.000 0.490 92 N N -0.821 117.817 118.700 -0.104 0.000 2.368 92 N HA 0.064 4.805 4.740 0.001 0.000 0.178 92 N C 1.540 176.953 175.510 -0.161 0.000 1.076 92 N CA 0.545 53.498 53.050 -0.161 0.000 0.889 92 N CB 1.177 39.544 38.487 -0.199 0.000 1.040 92 N HN 0.348 nan 8.380 nan 0.000 0.463 93 V N 1.595 121.444 119.914 -0.108 0.000 2.436 93 V HA 0.116 4.237 4.120 0.001 0.000 0.240 93 V C 1.055 177.092 176.094 -0.095 0.000 1.040 93 V CA 0.509 62.759 62.300 -0.083 0.000 1.052 93 V CB 0.121 31.934 31.823 -0.016 0.000 0.707 93 V HN 0.122 nan 8.190 nan 0.000 0.469 94 L N 1.690 122.837 121.223 -0.127 0.000 2.410 94 L HA 0.240 4.581 4.340 0.001 0.000 0.273 94 L C 0.125 176.943 176.870 -0.087 0.000 1.144 94 L CA 0.430 55.197 54.840 -0.121 0.000 0.863 94 L CB 0.410 42.347 42.059 -0.202 0.000 1.140 94 L HN 0.330 nan 8.230 nan 0.000 0.463 95 E N 4.895 125.064 120.200 -0.053 0.000 2.202 95 E HA 0.350 4.701 4.350 0.001 0.000 0.272 95 E C -2.352 174.262 176.600 0.024 0.000 0.951 95 E CA -2.131 54.244 56.400 -0.042 0.000 0.813 95 E CB 1.526 31.202 29.700 -0.040 0.000 1.151 95 E HN 0.271 nan 8.360 nan 0.000 0.398 96 P HA -0.052 nan 4.420 nan 0.000 0.259 96 P C -0.427 176.920 177.300 0.077 0.000 1.155 96 P CA 1.221 64.397 63.100 0.127 0.000 0.759 96 P CB 0.245 32.060 31.700 0.192 0.000 0.753 97 G N 3.013 111.854 108.800 0.069 0.000 2.462 97 G HA2 -0.217 3.744 3.960 0.001 0.000 0.283 97 G HA3 -0.217 3.744 3.960 0.001 0.000 0.283 97 G C 0.159 175.101 174.900 0.069 0.000 1.043 97 G CA -0.150 44.988 45.100 0.063 0.000 1.300 97 G HN 0.496 nan 8.290 nan 0.000 0.518 98 D N -0.518 119.926 120.400 0.074 0.000 2.502 98 D HA 0.316 4.957 4.640 0.001 0.000 0.232 98 D C 0.772 177.156 176.300 0.139 0.000 1.137 98 D CA 1.228 55.280 54.000 0.086 0.000 0.827 98 D CB 0.598 41.428 40.800 0.050 0.000 1.141 98 D HN 1.091 nan 8.370 nan 0.000 0.517 99 S N 0.168 115.967 115.700 0.164 0.000 2.964 99 S HA -0.197 4.273 4.470 0.001 0.000 0.829 99 S C -1.037 173.748 174.600 0.308 0.000 0.843 99 S CA -0.256 58.107 58.200 0.272 0.000 1.458 99 S CB -1.164 62.234 63.200 0.330 0.000 1.044 99 S HN 0.193 nan 8.310 nan 0.000 0.490 100 F N 6.920 126.907 119.950 0.062 0.000 2.562 100 F HA 0.694 5.222 4.527 0.001 0.000 0.319 100 F C -1.117 174.703 175.800 0.033 0.000 1.154 100 F CA -1.356 56.670 58.000 0.042 0.000 0.931 100 F CB 1.126 40.124 39.000 -0.003 0.000 1.198 100 F HN 0.582 nan 8.300 nan 0.000 0.444 101 L N 7.185 128.408 121.223 -0.000 0.000 2.276 101 L HA 0.715 5.056 4.340 0.001 0.000 0.286 101 L C -1.299 175.310 176.870 -0.435 0.000 1.061 101 L CA -0.468 54.253 54.840 -0.197 0.000 0.807 101 L CB 1.311 43.317 42.059 -0.088 0.000 1.177 101 L HN 0.423 nan 8.230 nan 0.000 0.429 102 V N 4.432 124.055 119.914 -0.485 0.000 2.444 102 V HA 0.463 4.584 4.120 0.001 0.000 0.294 102 V C 0.767 176.712 176.094 -0.248 0.000 1.022 102 V CA -0.647 61.397 62.300 -0.427 0.000 0.850 102 V CB 1.373 32.842 31.823 -0.590 0.000 0.992 102 V HN 0.891 nan 8.190 nan 0.000 0.426 103 G N 3.724 112.424 108.800 -0.166 0.000 2.778 103 G HA2 0.400 4.360 3.960 0.001 0.000 0.287 103 G HA3 0.400 4.360 3.960 0.001 0.000 0.287 103 G C 0.475 175.446 174.900 0.118 0.000 0.747 103 G CA 0.293 45.163 45.100 -0.383 0.000 1.961 103 G HN 1.070 nan 8.290 nan 0.000 0.539 104 A N 3.283 126.161 122.820 0.096 0.000 2.923 104 A HA 0.354 4.675 4.320 0.001 0.000 0.306 104 A C 1.098 178.834 177.584 0.254 0.000 1.542 104 A CA -0.761 51.376 52.037 0.165 0.000 1.225 104 A CB -0.017 19.008 19.000 0.041 0.000 1.147 104 A HN 0.660 nan 8.150 nan 0.000 0.542 105 N N 1.414 120.293 118.700 0.297 0.000 2.170 105 N HA 0.241 4.982 4.740 0.001 0.000 0.222 105 N C 0.299 175.874 175.510 0.108 0.000 1.218 105 N CA 0.583 53.739 53.050 0.175 0.000 0.889 105 N CB 0.845 39.384 38.487 0.087 0.000 1.083 105 N HN 0.501 nan 8.380 nan 0.000 0.520 106 G N -0.031 108.832 108.800 0.105 0.000 2.687 106 G HA2 0.406 4.366 3.960 0.001 0.000 0.291 106 G HA3 0.406 4.366 3.960 0.001 0.000 0.291 106 G C 0.040 174.866 174.900 -0.123 0.000 1.420 106 G CA -0.761 44.342 45.100 0.006 0.000 0.796 106 G HN 0.061 nan 8.290 nan 0.000 0.485 107 I N -0.759 119.585 120.570 -0.376 0.000 2.423 107 I HA -0.107 4.063 4.170 0.001 0.000 0.254 107 I C 1.882 177.698 176.117 -0.501 0.000 1.151 107 I CA 1.262 62.255 61.300 -0.512 0.000 1.421 107 I CB -0.010 37.538 38.000 -0.754 0.000 1.079 107 I HN 0.677 nan 8.210 nan 0.000 0.431 108 W N 0.508 121.848 121.300 0.066 0.000 2.388 108 W HA -0.027 4.633 4.660 0.001 0.000 0.294 108 W C 2.573 179.089 176.519 -0.006 0.000 1.212 108 W CA 0.744 58.130 57.345 0.069 0.000 1.271 108 W CB -0.895 28.674 29.460 0.181 0.000 1.126 108 W HN 0.144 nan 8.180 nan 0.000 0.535 109 G N 0.185 109.119 108.800 0.224 0.000 2.402 109 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 109 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 109 G C 1.358 176.220 174.900 -0.064 0.000 1.162 109 G CA 0.785 45.934 45.100 0.082 0.000 0.777 109 G HN 0.272 nan 8.290 nan 0.000 0.539 110 Q N -0.056 119.721 119.800 -0.039 0.000 2.077 110 Q HA -0.126 4.215 4.340 0.001 0.000 0.206 110 Q C 2.816 178.784 176.000 -0.054 0.000 0.989 110 Q CA 1.047 56.813 55.803 -0.061 0.000 0.853 110 Q CB -0.216 28.471 28.738 -0.085 0.000 0.907 110 Q HN 0.224 nan 8.270 nan 0.000 0.418 111 R N 0.288 120.766 120.500 -0.036 0.000 2.096 111 R HA -0.044 4.297 4.340 0.001 0.000 0.235 111 R C 2.125 178.407 176.300 -0.029 0.000 1.127 111 R CA 1.223 57.336 56.100 0.022 0.000 0.968 111 R CB -0.843 29.542 30.300 0.141 0.000 0.861 111 R HN 0.298 nan 8.270 nan 0.000 0.440 112 A N 0.610 123.330 122.820 -0.167 0.000 1.969 112 A HA -0.079 4.241 4.320 0.001 0.000 0.218 112 A C 2.447 180.054 177.584 0.038 0.000 1.169 112 A CA 1.286 53.200 52.037 -0.205 0.000 0.635 112 A CB -0.376 18.153 19.000 -0.785 0.000 0.810 112 A HN 0.088 nan 8.150 nan 0.000 0.445 113 V N 0.334 120.220 119.914 -0.047 0.000 2.270 113 V HA -0.234 3.887 4.120 0.001 0.000 0.245 113 V C 2.424 178.543 176.094 0.041 0.000 1.043 113 V CA 2.179 64.476 62.300 -0.006 0.000 1.014 113 V CB -0.750 31.035 31.823 -0.062 0.000 0.645 113 V HN 0.593 nan 8.190 nan 0.000 0.447 114 D N 0.319 120.728 120.400 0.014 0.000 2.127 114 D HA -0.205 4.435 4.640 0.001 0.000 0.190 114 D C 2.047 178.366 176.300 0.032 0.000 1.000 114 D CA 2.032 56.043 54.000 0.018 0.000 0.839 114 D CB -0.165 40.645 40.800 0.017 0.000 0.955 114 D HN 0.431 nan 8.370 nan 0.000 0.446 115 I N 0.640 121.237 120.570 0.044 0.000 2.099 115 I HA -0.217 3.954 4.170 0.001 0.000 0.239 115 I C 2.706 178.847 176.117 0.039 0.000 1.066 115 I CA 1.420 62.744 61.300 0.039 0.000 1.324 115 I CB -0.805 37.213 38.000 0.030 0.000 1.037 115 I HN 0.082 nan 8.210 nan 0.000 0.401 116 G N 0.443 109.292 108.800 0.081 0.000 2.513 116 G HA2 -0.291 3.670 3.960 0.001 0.000 0.219 116 G HA3 -0.291 3.670 3.960 0.001 0.000 0.219 116 G C 1.481 176.420 174.900 0.065 0.000 1.160 116 G CA 1.111 46.264 45.100 0.088 0.000 0.767 116 G HN 0.450 nan 8.290 nan 0.000 0.571 117 E N 0.127 120.359 120.200 0.055 0.000 2.023 117 E HA -0.147 4.204 4.350 0.001 0.000 0.196 117 E C 2.730 179.328 176.600 -0.003 0.000 1.003 117 E CA 0.955 57.365 56.400 0.017 0.000 0.809 117 E CB -0.195 29.506 29.700 0.002 0.000 0.755 117 E HN 0.318 nan 8.360 nan 0.000 0.449 118 R N 0.524 121.019 120.500 -0.009 0.000 2.154 118 R HA -0.176 4.164 4.340 0.001 0.000 0.248 118 R C 2.390 178.648 176.300 -0.071 0.000 1.155 118 R CA 1.688 57.764 56.100 -0.040 0.000 0.979 118 R CB -0.565 29.720 30.300 -0.025 0.000 0.869 118 R HN 0.444 nan 8.270 nan 0.000 0.452 119 I N -3.727 116.845 120.570 0.003 0.000 4.018 119 I HA 0.378 4.548 4.170 0.001 0.000 0.337 119 I C 0.514 176.724 176.117 0.155 0.000 1.327 119 I CA 0.117 61.472 61.300 0.091 0.000 1.100 119 I CB 0.560 38.713 38.000 0.255 0.000 1.025 119 I HN 0.149 nan 8.210 nan 0.000 0.396 124 H N 3.916 122.878 119.070 -0.181 0.000 2.786 124 H HA 0.324 4.881 4.556 0.001 0.000 0.284 124 H C -2.643 172.508 175.328 -0.296 0.000 1.104 124 H CA -2.246 53.622 56.048 -0.300 0.000 1.339 124 H CB 1.810 31.191 29.762 -0.636 0.000 1.427 124 H HN 0.327 nan 8.280 nan 0.000 0.497 125 P HA -0.015 nan 4.420 nan 0.000 0.245 125 P C 0.639 177.897 177.300 -0.071 0.000 1.670 125 P CA 0.081 63.115 63.100 -0.110 0.000 1.146 125 P CB -0.452 31.209 31.700 -0.065 0.000 1.954 126 M N 2.077 121.604 119.600 -0.121 0.000 3.452 126 M HA 0.003 4.484 4.480 0.001 0.000 0.210 126 M C -0.313 176.001 176.300 0.023 0.000 1.646 126 M CA 0.446 55.695 55.300 -0.084 0.000 1.720 126 M CB -0.859 31.611 32.600 -0.217 0.000 1.239 126 M HN 0.091 nan 8.290 nan 0.000 0.530 127 T N 3.692 118.287 114.554 0.067 0.000 2.903 127 T HA 0.216 4.567 4.350 0.001 0.000 0.314 127 T C 0.321 175.126 174.700 0.176 0.000 1.078 127 T CA -0.149 62.022 62.100 0.117 0.000 1.114 127 T CB 0.910 69.814 68.868 0.059 0.000 0.987 127 T HN 0.520 nan 8.240 nan 0.000 0.548 128 K N 0.390 120.877 120.400 0.145 0.000 2.152 128 K HA 0.409 4.729 4.320 0.001 0.000 0.257 128 K C -1.439 175.172 176.600 0.018 0.000 0.961 128 K CA -0.707 55.609 56.287 0.048 0.000 0.816 128 K CB 1.702 34.155 32.500 -0.080 0.000 1.501 128 K HN 0.542 nan 8.250 nan 0.000 0.417 129 D N 1.895 122.283 120.400 -0.020 0.000 2.457 129 D HA 0.324 4.965 4.640 0.001 0.000 0.240 129 D C -2.461 173.855 176.300 0.026 0.000 1.041 129 D CA -1.270 52.733 54.000 0.006 0.000 0.861 129 D CB 1.745 42.543 40.800 -0.003 0.000 1.394 129 D HN 0.159 nan 8.370 nan 0.000 0.473 130 P HA 0.056 nan 4.420 nan 0.000 0.260 130 P C 0.731 178.188 177.300 0.262 0.000 1.185 130 P CA 0.585 63.776 63.100 0.151 0.000 0.763 130 P CB 0.565 32.343 31.700 0.131 0.000 0.776 131 G N 2.076 111.003 108.800 0.212 0.000 2.284 131 G HA2 -0.105 3.856 3.960 0.001 0.000 0.201 131 G HA3 -0.105 3.856 3.960 0.001 0.000 0.201 131 G C 0.377 175.265 174.900 -0.020 0.000 0.998 131 G CA -0.196 44.962 45.100 0.096 0.000 0.651 131 G HN 0.873 nan 8.290 nan 0.000 0.489 132 G N 0.213 108.979 108.800 -0.057 0.000 2.477 132 G HA2 0.681 4.642 3.960 0.001 0.000 0.304 132 G HA3 0.681 4.642 3.960 0.001 0.000 0.304 132 G C -0.128 174.648 174.900 -0.207 0.000 1.175 132 G CA 0.274 45.279 45.100 -0.158 0.000 0.907 132 G HN 1.037 nan 8.290 nan 0.000 0.509 133 H N -1.496 117.371 119.070 -0.338 0.000 3.043 133 H HA 0.470 5.026 4.556 0.001 0.000 0.302 133 H C -1.676 173.301 175.328 -0.586 0.000 1.506 133 H CA -0.980 54.826 56.048 -0.403 0.000 1.282 133 H CB 1.235 30.908 29.762 -0.149 0.000 1.914 133 H HN 0.424 nan 8.280 nan 0.000 0.625 134 Y N 1.012 121.399 120.300 0.146 0.000 2.328 134 Y HA 0.253 4.804 4.550 0.001 0.000 0.336 134 Y C 0.357 176.441 175.900 0.307 0.000 0.960 134 Y CA -0.809 57.350 58.100 0.099 0.000 1.134 134 Y CB 1.926 40.431 38.460 0.076 0.000 1.166 134 Y HN 0.628 nan 8.280 nan 0.000 0.464 135 T N 0.540 115.260 114.554 0.278 0.000 2.907 135 T HA 0.162 4.513 4.350 0.001 0.000 0.298 135 T C 1.057 175.901 174.700 0.241 0.000 1.017 135 T CA -0.741 61.518 62.100 0.266 0.000 1.118 135 T CB 0.890 69.817 68.868 0.097 0.000 0.948 135 T HN 0.497 nan 8.240 nan 0.000 0.531 136 L N 1.433 122.681 121.223 0.041 0.000 2.137 136 L HA -0.116 4.225 4.340 0.001 0.000 0.213 136 L C 3.289 180.070 176.870 -0.148 0.000 1.085 136 L CA 2.316 56.929 54.840 -0.378 0.000 0.760 136 L CB -2.063 39.736 42.059 -0.433 0.000 0.893 136 L HN 0.940 nan 8.230 nan 0.000 0.434 137 Q N 0.405 120.181 119.800 -0.040 0.000 1.917 137 Q HA -0.251 4.090 4.340 0.001 0.000 0.205 137 Q C 2.166 178.174 176.000 0.012 0.000 0.988 137 Q CA 1.816 57.611 55.803 -0.014 0.000 0.851 137 Q CB -1.301 27.439 28.738 0.004 0.000 0.916 137 Q HN 0.657 nan 8.270 nan 0.000 0.424 138 E N -0.069 120.164 120.200 0.056 0.000 2.208 138 E HA -0.159 4.192 4.350 0.001 0.000 0.202 138 E C 1.990 178.626 176.600 0.061 0.000 1.014 138 E CA 1.428 57.875 56.400 0.078 0.000 0.819 138 E CB -0.289 29.498 29.700 0.146 0.000 0.735 138 E HN 0.430 nan 8.360 nan 0.000 0.469 139 V N 0.838 120.800 119.914 0.080 0.000 2.667 139 V HA -0.198 3.923 4.120 0.001 0.000 0.252 139 V C 2.241 178.285 176.094 -0.084 0.000 1.065 139 V CA 1.746 64.067 62.300 0.035 0.000 1.083 139 V CB -0.319 31.613 31.823 0.182 0.000 0.692 139 V HN 0.258 nan 8.190 nan 0.000 0.468 140 E N 0.636 120.776 120.200 -0.100 0.000 2.072 140 E HA -0.274 4.076 4.350 0.001 0.000 0.191 140 E C 2.199 178.700 176.600 -0.165 0.000 0.985 140 E CA 1.533 57.815 56.400 -0.196 0.000 0.801 140 E CB -0.120 29.550 29.700 -0.051 0.000 0.750 140 E HN 0.669 nan 8.360 nan 0.000 0.452 141 E N -0.734 119.430 120.200 -0.059 0.000 2.130 141 E HA -0.181 4.170 4.350 0.001 0.000 0.196 141 E C 1.851 178.435 176.600 -0.026 0.000 0.998 141 E CA 1.347 57.732 56.400 -0.026 0.000 0.806 141 E CB -0.278 29.425 29.700 0.005 0.000 0.738 141 E HN 0.409 nan 8.360 nan 0.000 0.459 142 G N 0.507 109.292 108.800 -0.025 0.000 2.395 142 G HA2 -0.188 3.772 3.960 0.001 0.000 0.214 142 G HA3 -0.188 3.772 3.960 0.001 0.000 0.214 142 G C 1.495 176.409 174.900 0.023 0.000 1.177 142 G CA 0.213 45.339 45.100 0.043 0.000 0.794 142 G HN 0.196 nan 8.290 nan 0.000 0.532 143 L N 0.792 121.905 121.223 -0.183 0.000 2.261 143 L HA -0.078 4.263 4.340 0.001 0.000 0.216 143 L C 3.254 179.947 176.870 -0.296 0.000 1.114 143 L CA 0.656 55.285 54.840 -0.352 0.000 0.777 143 L CB -0.315 41.224 42.059 -0.866 0.000 0.910 143 L HN 0.352 nan 8.230 nan 0.000 0.440 144 A N -0.256 122.447 122.820 -0.195 0.000 1.821 144 A HA -0.237 4.084 4.320 0.001 0.000 0.215 144 A C 2.118 179.683 177.584 -0.032 0.000 1.214 144 A CA 1.350 53.397 52.037 0.017 0.000 0.608 144 A CB -0.596 18.410 19.000 0.010 0.000 0.862 144 A HN 0.355 nan 8.150 nan 0.000 0.448 145 Q N -1.038 118.649 119.800 -0.189 0.000 1.935 145 Q HA -0.259 4.082 4.340 0.001 0.000 0.212 145 Q C 1.931 177.663 176.000 -0.446 0.000 1.008 145 Q CA 2.328 57.863 55.803 -0.447 0.000 0.868 145 Q CB -0.443 27.721 28.738 -0.956 0.000 0.946 145 Q HN 0.934 nan 8.270 nan 0.000 0.418 146 H N 0.556 119.526 119.070 -0.167 0.000 2.547 146 H HA 0.097 4.654 4.556 0.001 0.000 0.272 146 H C -0.162 175.146 175.328 -0.034 0.000 0.989 146 H CA 0.638 56.567 56.048 -0.198 0.000 1.214 146 H CB -0.320 29.123 29.762 -0.533 0.000 1.389 146 H HN 0.223 nan 8.280 nan 0.000 0.577 147 K N -0.306 120.163 120.400 0.115 0.000 3.602 147 K HA -0.174 4.147 4.320 0.001 0.000 0.274 147 K C -2.552 174.145 176.600 0.162 0.000 0.864 147 K CA 0.173 56.555 56.287 0.157 0.000 0.682 147 K CB -1.808 30.787 32.500 0.158 0.000 1.576 147 K HN 0.370 nan 8.250 nan 0.000 0.447 148 P HA -0.037 nan 4.420 nan 0.000 0.272 148 P C 0.864 178.264 177.300 0.167 0.000 1.223 148 P CA -0.545 62.675 63.100 0.200 0.000 0.784 148 P CB 1.109 32.943 31.700 0.224 0.000 0.923 149 V N 2.057 122.066 119.914 0.158 0.000 3.306 149 V HA 0.156 4.277 4.120 0.001 0.000 0.264 149 V C 0.332 176.500 176.094 0.125 0.000 1.149 149 V CA 0.909 63.280 62.300 0.118 0.000 1.143 149 V CB -0.840 31.032 31.823 0.083 0.000 0.767 149 V HN 0.373 nan 8.190 nan 0.000 0.476 150 L N 0.045 121.380 121.223 0.187 0.000 2.545 150 L HA 0.608 4.948 4.340 0.001 0.000 0.258 150 L C -1.479 175.601 176.870 0.349 0.000 0.942 150 L CA -0.609 54.366 54.840 0.225 0.000 0.855 150 L CB 2.014 44.176 42.059 0.173 0.000 1.374 150 L HN 0.066 nan 8.230 nan 0.000 0.411 151 L N 3.683 125.073 121.223 0.277 0.000 2.342 151 L HA 0.707 5.048 4.340 0.001 0.000 0.271 151 L C -1.676 175.365 176.870 0.285 0.000 1.008 151 L CA -0.211 54.762 54.840 0.222 0.000 0.818 151 L CB 1.731 43.844 42.059 0.091 0.000 1.296 151 L HN 0.629 nan 8.230 nan 0.000 0.427 152 F N 5.460 125.456 119.950 0.077 0.000 2.449 152 F HA 0.721 5.249 4.527 0.001 0.000 0.342 152 F C -1.712 174.064 175.800 -0.040 0.000 1.127 152 F CA -0.584 57.477 58.000 0.101 0.000 0.975 152 F CB 1.091 40.196 39.000 0.174 0.000 1.146 152 F HN 0.363 nan 8.300 nan 0.000 0.444 153 L N 5.440 126.049 121.223 -1.024 0.000 2.410 153 L HA 0.425 4.766 4.340 0.001 0.000 0.270 153 L C -0.518 175.803 176.870 -0.916 0.000 0.983 153 L CA -0.798 53.555 54.840 -0.811 0.000 0.822 153 L CB 2.577 44.330 42.059 -0.509 0.000 1.285 153 L HN 0.554 nan 8.230 nan 0.000 0.409 154 T N 1.104 115.365 114.554 -0.488 0.000 2.729 154 T HA 0.097 4.447 4.350 0.001 0.000 0.296 154 T C 0.669 175.298 174.700 -0.119 0.000 0.928 154 T CA -0.218 61.756 62.100 -0.210 0.000 1.045 154 T CB 0.884 69.824 68.868 0.120 0.000 0.902 154 T HN 0.476 nan 8.240 nan 0.000 0.500 155 H N 3.883 122.782 119.070 -0.286 0.000 2.284 155 H HA 0.160 4.717 4.556 0.001 0.000 0.304 155 H C 1.376 176.600 175.328 -0.173 0.000 1.069 155 H CA 1.299 57.198 56.048 -0.249 0.000 1.327 155 H CB -0.318 29.270 29.762 -0.291 0.000 1.387 155 H HN 0.663 nan 8.280 nan 0.000 0.498 156 G N 0.945 109.635 108.800 -0.183 0.000 2.655 156 G HA2 0.243 4.204 3.960 0.001 0.000 0.334 156 G HA3 0.243 4.204 3.960 0.001 0.000 0.334 156 G C -0.916 173.951 174.900 -0.055 0.000 1.099 156 G CA -0.480 44.502 45.100 -0.196 0.000 1.075 156 G HN 0.297 nan 8.290 nan 0.000 0.463 157 E N 1.975 122.205 120.200 0.049 0.000 1.858 157 E HA 0.101 4.452 4.350 0.001 0.000 0.267 157 E C 1.618 178.338 176.600 0.199 0.000 1.215 157 E CA -0.043 56.477 56.400 0.199 0.000 0.952 157 E CB 0.201 30.013 29.700 0.187 0.000 1.058 157 E HN 0.364 nan 8.360 nan 0.000 0.407 158 S N 1.848 117.711 115.700 0.272 0.000 2.507 158 S HA -0.172 4.299 4.470 0.001 0.000 0.235 158 S C 1.673 176.401 174.600 0.214 0.000 0.988 158 S CA 0.809 59.144 58.200 0.224 0.000 0.944 158 S CB -0.291 63.035 63.200 0.210 0.000 0.762 158 S HN 0.422 nan 8.310 nan 0.000 0.526 159 S N 1.077 116.917 115.700 0.234 0.000 2.528 159 S HA 0.035 4.506 4.470 0.001 0.000 0.219 159 S C 1.582 176.146 174.600 -0.059 0.000 0.985 159 S CA 0.685 58.897 58.200 0.020 0.000 0.914 159 S CB -0.393 62.718 63.200 -0.150 0.000 0.776 159 S HN 0.765 nan 8.310 nan 0.000 0.526 160 T N -4.475 110.086 114.554 0.011 0.000 2.969 160 T HA 0.518 4.869 4.350 0.001 0.000 0.258 160 T C 1.532 176.282 174.700 0.083 0.000 0.962 160 T CA 0.767 62.871 62.100 0.007 0.000 0.903 160 T CB 0.089 69.023 68.868 0.109 0.000 1.177 160 T HN 1.205 nan 8.240 nan 0.000 0.511 161 G N 1.187 110.031 108.800 0.074 0.000 2.157 161 G HA2 -0.200 3.761 3.960 0.001 0.000 0.248 161 G HA3 -0.200 3.761 3.960 0.001 0.000 0.248 161 G C -0.013 174.927 174.900 0.068 0.000 0.979 161 G CA -0.071 45.071 45.100 0.071 0.000 0.650 161 G HN 0.781 nan 8.290 nan 0.000 0.529 162 V N 1.566 121.526 119.914 0.077 0.000 2.432 162 V HA 0.546 4.666 4.120 0.001 0.000 0.271 162 V C 0.629 176.730 176.094 0.012 0.000 1.046 162 V CA -0.451 61.879 62.300 0.049 0.000 0.945 162 V CB 1.467 33.332 31.823 0.070 0.000 0.992 162 V HN 0.469 nan 8.190 nan 0.000 0.471 163 L N 5.654 126.863 121.223 -0.023 0.000 2.260 163 L HA 0.490 4.831 4.340 0.001 0.000 0.289 163 L C -0.102 176.742 176.870 -0.044 0.000 1.057 163 L CA 0.003 54.815 54.840 -0.047 0.000 0.811 163 L CB 1.236 43.257 42.059 -0.063 0.000 1.184 163 L HN 0.794 nan 8.230 nan 0.000 0.429 164 Q N 7.218 127.029 119.800 0.018 0.000 2.303 164 Q HA 0.548 4.888 4.340 0.001 0.000 0.257 164 Q C -2.536 173.416 176.000 -0.079 0.000 0.941 164 Q CA -1.903 53.877 55.803 -0.039 0.000 0.931 164 Q CB 1.441 30.166 28.738 -0.021 0.000 1.215 164 Q HN 0.461 nan 8.270 nan 0.000 0.437 165 P HA 0.050 nan 4.420 nan 0.000 0.268 165 P C -0.639 176.595 177.300 -0.110 0.000 1.204 165 P CA 0.262 63.320 63.100 -0.070 0.000 0.768 165 P CB 0.644 32.348 31.700 0.007 0.000 0.842 166 L N 0.076 121.239 121.223 -0.099 0.000 2.993 166 L HA 0.259 4.600 4.340 0.001 0.000 0.264 166 L C 0.309 177.287 176.870 0.180 0.000 1.154 166 L CA -0.140 54.645 54.840 -0.090 0.000 0.972 166 L CB 0.020 41.873 42.059 -0.343 0.000 1.373 166 L HN 0.211 nan 8.230 nan 0.000 0.564 167 D N 1.371 121.836 120.400 0.110 0.000 2.488 167 D HA 0.278 4.918 4.640 0.001 0.000 0.238 167 D C 1.254 177.600 176.300 0.075 0.000 1.138 167 D CA 1.801 55.834 54.000 0.055 0.000 0.873 167 D CB 1.347 42.148 40.800 0.001 0.000 1.183 167 D HN 0.290 nan 8.370 nan 0.000 0.458 168 G N 2.317 111.117 108.800 -0.001 0.000 2.640 168 G HA2 -0.408 3.553 3.960 0.001 0.000 0.226 168 G HA3 -0.408 3.553 3.960 0.001 0.000 0.226 168 G C 1.339 176.193 174.900 -0.076 0.000 1.222 168 G CA 0.278 45.331 45.100 -0.079 0.000 0.729 168 G HN 0.461 nan 8.290 nan 0.000 0.516 169 F N 2.078 121.994 119.950 -0.057 0.000 2.141 169 F HA -0.053 4.475 4.527 0.001 0.000 0.300 169 F C 2.944 178.714 175.800 -0.050 0.000 1.079 169 F CA 2.286 60.259 58.000 -0.044 0.000 1.264 169 F CB -0.801 38.166 39.000 -0.055 0.000 1.011 169 F HN 0.440 nan 8.300 nan 0.000 0.487 170 G N -0.218 108.625 108.800 0.071 0.000 2.553 170 G HA2 -0.293 3.668 3.960 0.001 0.000 0.218 170 G HA3 -0.293 3.668 3.960 0.001 0.000 0.218 170 G C 1.655 176.427 174.900 -0.212 0.000 1.195 170 G CA 1.281 46.312 45.100 -0.115 0.000 0.779 170 G HN 0.255 nan 8.290 nan 0.000 0.577 171 E N 0.153 120.263 120.200 -0.149 0.000 2.047 171 E HA -0.056 4.294 4.350 0.001 0.000 0.191 171 E C 2.456 179.088 176.600 0.053 0.000 0.987 171 E CA 0.462 56.819 56.400 -0.071 0.000 0.799 171 E CB -0.790 28.871 29.700 -0.064 0.000 0.752 171 E HN 0.368 nan 8.360 nan 0.000 0.449 172 L N 0.279 121.515 121.223 0.022 0.000 2.450 172 L HA -0.148 4.192 4.340 0.001 0.000 0.225 172 L C 1.798 178.765 176.870 0.161 0.000 1.145 172 L CA 1.300 56.175 54.840 0.059 0.000 0.801 172 L CB -0.324 41.679 42.059 -0.093 0.000 0.924 172 L HN 0.068 nan 8.230 nan 0.000 0.447 173 C N -1.983 117.441 119.300 0.208 0.000 2.469 173 C HA 0.120 4.581 4.460 0.001 0.000 0.309 173 C C 2.412 177.599 174.990 0.328 0.000 1.385 173 C CA 0.060 59.234 59.018 0.261 0.000 1.890 173 C CB -0.680 27.226 27.740 0.278 0.000 2.245 173 C HN 0.609 nan 8.230 nan 0.000 0.530 174 H N 0.811 119.949 119.070 0.113 0.000 2.456 174 H HA -0.047 4.510 4.556 0.001 0.000 0.296 174 H C 2.262 177.648 175.328 0.096 0.000 1.079 174 H CA 1.113 57.216 56.048 0.092 0.000 1.322 174 H CB -0.321 29.479 29.762 0.063 0.000 1.388 174 H HN 0.384 nan 8.280 nan 0.000 0.538 175 R N -0.082 120.571 120.500 0.256 0.000 2.088 175 R HA -0.166 4.175 4.340 0.001 0.000 0.232 175 R C 0.685 177.054 176.300 0.114 0.000 1.136 175 R CA 1.520 57.718 56.100 0.164 0.000 0.926 175 R CB -0.270 30.169 30.300 0.230 0.000 0.837 175 R HN 0.311 nan 8.270 nan 0.000 0.429 176 Y N 0.960 121.296 120.300 0.060 0.000 2.506 176 Y HA 0.089 4.640 4.550 0.001 0.000 0.333 176 Y C 1.045 176.971 175.900 0.043 0.000 1.177 176 Y CA 0.814 58.943 58.100 0.048 0.000 1.292 176 Y CB -0.453 38.039 38.460 0.053 0.000 1.124 176 Y HN 0.240 nan 8.280 nan 0.000 0.507 177 K N -1.070 119.416 120.400 0.143 0.000 3.016 177 K HA -0.255 4.066 4.320 0.001 0.000 0.262 177 K C 0.033 176.676 176.600 0.071 0.000 1.043 177 K CA 0.916 57.246 56.287 0.071 0.000 0.761 177 K CB -2.572 nan 32.500 nan 0.000 1.230 177 K HN 0.553 nan 8.250 nan 0.000 0.485 178 C N 0.348 119.711 119.300 0.106 0.000 2.376 178 C HA 0.823 5.284 4.460 0.001 0.000 0.335 178 C C 0.621 175.642 174.990 0.052 0.000 1.229 178 C CA -1.110 57.968 59.018 0.100 0.000 1.867 178 C CB 0.405 28.232 27.740 0.144 0.000 2.319 178 C HN 0.673 nan 8.230 nan 0.000 0.515 179 L N 4.926 126.182 121.223 0.055 0.000 2.371 179 L HA 0.405 4.745 4.340 0.001 0.000 0.272 179 L C -0.111 176.837 176.870 0.130 0.000 1.124 179 L CA -0.426 54.447 54.840 0.055 0.000 0.816 179 L CB 0.937 43.037 42.059 0.068 0.000 1.129 179 L HN 0.534 nan 8.230 nan 0.000 0.448 180 L N 4.641 125.960 121.223 0.159 0.000 2.272 180 L HA 0.477 4.817 4.340 0.001 0.000 0.289 180 L C -0.831 176.089 176.870 0.083 0.000 1.032 180 L CA -0.318 54.600 54.840 0.130 0.000 0.810 180 L CB 1.381 43.521 42.059 0.135 0.000 1.205 180 L HN 0.426 nan 8.230 nan 0.000 0.422 181 L N 6.687 127.958 121.223 0.080 0.000 2.287 181 L HA 0.699 5.039 4.340 0.001 0.000 0.287 181 L C -1.188 175.625 176.870 -0.094 0.000 1.022 181 L CA -0.125 54.766 54.840 0.085 0.000 0.814 181 L CB 1.616 43.838 42.059 0.272 0.000 1.217 181 L HN 0.411 nan 8.230 nan 0.000 0.420 182 V N 4.464 124.281 119.914 -0.162 0.000 2.604 182 V HA 0.389 4.510 4.120 0.001 0.000 0.305 182 V C -0.796 175.016 176.094 -0.470 0.000 1.043 182 V CA -0.709 61.378 62.300 -0.356 0.000 0.888 182 V CB 1.884 33.494 31.823 -0.356 0.000 0.995 182 V HN 0.764 nan 8.190 nan 0.000 0.429 183 D N 3.253 123.302 120.400 -0.584 0.000 2.396 183 D HA 0.170 4.810 4.640 0.001 0.000 0.225 183 D C 0.424 176.365 176.300 -0.598 0.000 1.121 183 D CA -0.081 53.404 54.000 -0.857 0.000 0.853 183 D CB 1.507 42.055 40.800 -0.420 0.000 1.043 183 D HN 0.592 nan 8.370 nan 0.000 0.500 184 S N 2.456 117.790 115.700 -0.610 0.000 2.484 184 S HA 0.130 4.601 4.470 0.001 0.000 0.242 184 S C 1.320 175.735 174.600 -0.307 0.000 1.158 184 S CA -0.554 57.435 58.200 -0.351 0.000 1.162 184 S CB 0.360 63.410 63.200 -0.249 0.000 0.850 184 S HN 0.215 nan 8.310 nan 0.000 0.477 185 V N 1.210 120.899 119.914 -0.374 0.000 2.358 185 V HA -0.048 4.073 4.120 0.001 0.000 0.246 185 V C 2.788 178.764 176.094 -0.197 0.000 1.047 185 V CA 2.201 64.348 62.300 -0.254 0.000 1.035 185 V CB -0.905 30.737 31.823 -0.301 0.000 0.658 185 V HN 0.782 nan 8.190 nan 0.000 0.452 186 A N -0.240 122.441 122.820 -0.232 0.000 2.169 186 A HA 0.016 4.337 4.320 0.001 0.000 0.210 186 A C 2.355 179.814 177.584 -0.209 0.000 1.168 186 A CA 1.109 53.042 52.037 -0.173 0.000 0.813 186 A CB -0.201 18.717 19.000 -0.137 0.000 0.861 186 A HN 0.602 nan 8.150 nan 0.000 0.481 187 S N -0.624 114.900 115.700 -0.293 0.000 2.439 187 S HA 0.145 4.616 4.470 0.001 0.000 0.224 187 S C 0.689 175.117 174.600 -0.286 0.000 1.029 187 S CA -0.014 57.941 58.200 -0.408 0.000 0.946 187 S CB -0.736 61.965 63.200 -0.831 0.000 0.797 187 S HN 0.405 nan 8.310 nan 0.000 0.504 188 L N 2.959 124.077 121.223 -0.176 0.000 2.540 188 L HA 0.448 4.789 4.340 0.001 0.000 0.276 188 L C 1.326 178.165 176.870 -0.052 0.000 1.212 188 L CA 1.599 56.405 54.840 -0.057 0.000 0.893 188 L CB -0.111 41.970 42.059 0.037 0.000 1.138 188 L HN 0.577 nan 8.230 nan 0.000 0.491 189 G N 2.772 111.603 108.800 0.051 0.000 2.267 189 G HA2 -0.303 3.658 3.960 0.001 0.000 0.257 189 G HA3 -0.303 3.658 3.960 0.001 0.000 0.257 189 G C 0.815 175.677 174.900 -0.064 0.000 0.998 189 G CA 0.459 45.592 45.100 0.056 0.000 0.620 189 G HN 1.302 nan 8.290 nan 0.000 0.529 190 G N -0.704 107.938 108.800 -0.263 0.000 2.850 190 G HA2 0.509 4.470 3.960 0.001 0.000 0.211 190 G HA3 0.509 4.470 3.960 0.001 0.000 0.211 190 G C 0.555 175.339 174.900 -0.194 0.000 1.124 190 G CA 1.695 46.500 45.100 -0.492 0.000 0.769 190 G HN 1.684 nan 8.290 nan 0.000 0.535 191 T N -2.091 112.275 114.554 -0.313 0.000 2.894 191 T HA 0.583 4.934 4.350 0.001 0.000 0.309 191 T C -3.500 170.605 174.700 -0.993 0.000 1.208 191 T CA -1.731 60.059 62.100 -0.517 0.000 1.016 191 T CB 2.654 71.293 68.868 -0.381 0.000 1.192 191 T HN -0.194 nan 8.240 nan 0.000 0.491 192 P HA 0.492 nan 4.420 nan 0.000 0.266 192 P C -1.154 175.657 177.300 -0.815 0.000 1.195 192 P CA -0.419 61.602 63.100 -1.798 0.000 0.768 192 P CB 0.349 31.303 31.700 -1.244 0.000 0.838 193 L N 4.412 125.125 121.223 -0.850 0.000 2.565 193 L HA 0.503 4.843 4.340 0.001 0.000 0.261 193 L C -2.104 174.445 176.870 -0.535 0.000 0.932 193 L CA -0.511 54.079 54.840 -0.417 0.000 0.878 193 L CB 1.296 43.252 42.059 -0.171 0.000 1.333 193 L HN 0.246 nan 8.230 nan 0.000 0.409 194 Y N 5.159 125.412 120.300 -0.079 0.000 2.344 194 Y HA 0.377 4.928 4.550 0.001 0.000 0.328 194 Y C 0.834 176.693 175.900 -0.068 0.000 1.067 194 Y CA -0.716 57.370 58.100 -0.023 0.000 1.247 194 Y CB 1.733 40.190 38.460 -0.005 0.000 1.113 194 Y HN 0.729 nan 8.280 nan 0.000 0.465 195 M N 1.035 120.661 119.600 0.044 0.000 2.084 195 M HA -0.234 4.247 4.480 0.001 0.000 0.259 195 M C 0.805 177.117 176.300 0.020 0.000 1.072 195 M CA 2.374 57.656 55.300 -0.030 0.000 1.107 195 M CB 0.090 32.653 32.600 -0.061 0.000 1.299 195 M HN 0.709 nan 8.290 nan 0.000 0.413 196 D N 0.137 120.573 120.400 0.061 0.000 2.088 196 D HA -0.164 4.477 4.640 0.001 0.000 0.191 196 D C 1.944 178.259 176.300 0.026 0.000 0.992 196 D CA 1.543 55.574 54.000 0.052 0.000 0.831 196 D CB -0.607 40.233 40.800 0.067 0.000 0.973 196 D HN 0.408 nan 8.370 nan 0.000 0.447 197 R N 0.299 120.819 120.500 0.033 0.000 2.261 197 R HA -0.129 4.211 4.340 0.001 0.000 0.236 197 R C 1.515 177.786 176.300 -0.048 0.000 1.141 197 R CA 0.864 56.947 56.100 -0.029 0.000 1.001 197 R CB -0.271 29.970 30.300 -0.099 0.000 0.866 197 R HN 0.453 nan 8.270 nan 0.000 0.468 198 Q N -0.551 119.238 119.800 -0.019 0.000 2.219 198 Q HA 0.140 4.481 4.340 0.001 0.000 0.209 198 Q C 0.469 176.426 176.000 -0.070 0.000 0.854 198 Q CA 0.179 55.956 55.803 -0.043 0.000 0.960 198 Q CB 1.302 30.023 28.738 -0.028 0.000 1.116 198 Q HN 0.454 nan 8.270 nan 0.000 0.500 199 G N 2.050 110.804 108.800 -0.075 0.000 2.341 199 G HA2 -0.284 3.677 3.960 0.001 0.000 0.292 199 G HA3 -0.284 3.677 3.960 0.001 0.000 0.292 199 G C 0.021 174.901 174.900 -0.034 0.000 1.021 199 G CA 0.195 45.224 45.100 -0.118 0.000 0.905 199 G HN 0.335 nan 8.290 nan 0.000 0.508 200 I N 0.026 120.589 120.570 -0.013 0.000 2.519 200 I HA 0.214 4.384 4.170 0.001 0.000 0.287 200 I C 1.110 177.259 176.117 0.054 0.000 1.047 200 I CA -0.498 60.798 61.300 -0.006 0.000 1.381 200 I CB 0.886 38.820 38.000 -0.110 0.000 1.417 200 I HN 0.025 nan 8.210 nan 0.000 0.540 201 D N 5.181 125.639 120.400 0.096 0.000 2.262 201 D HA 0.189 4.829 4.640 0.001 0.000 0.212 201 D C 0.170 176.524 176.300 0.090 0.000 0.964 201 D CA 1.346 55.419 54.000 0.123 0.000 0.875 201 D CB 0.571 41.457 40.800 0.144 0.000 0.996 201 D HN 0.250 nan 8.370 nan 0.000 0.497 202 I N 1.145 121.730 120.570 0.026 0.000 2.499 202 I HA 0.224 4.395 4.170 0.001 0.000 0.288 202 I C -1.193 174.835 176.117 -0.148 0.000 1.048 202 I CA -0.760 60.487 61.300 -0.089 0.000 1.062 202 I CB 2.782 40.787 38.000 0.008 0.000 1.238 202 I HN -0.238 nan 8.210 nan 0.000 0.426 203 L N 8.562 129.620 121.223 -0.275 0.000 2.362 203 L HA 0.674 5.015 4.340 0.001 0.000 0.275 203 L C -1.391 175.314 176.870 -0.274 0.000 0.998 203 L CA -0.478 54.103 54.840 -0.431 0.000 0.820 203 L CB 1.286 42.846 42.059 -0.831 0.000 1.270 203 L HN 0.535 nan 8.230 nan 0.000 0.415 204 Y N 2.048 122.192 120.300 -0.260 0.000 2.553 204 Y HA 0.882 5.432 4.550 0.001 0.000 0.347 204 Y C -0.760 175.142 175.900 0.004 0.000 1.019 204 Y CA -0.919 57.154 58.100 -0.045 0.000 1.032 204 Y CB 1.800 40.227 38.460 -0.055 0.000 1.284 204 Y HN 0.637 nan 8.280 nan 0.000 0.466 205 S N 0.961 116.796 115.700 0.225 0.000 2.618 205 S HA 0.834 5.305 4.470 0.001 0.000 0.277 205 S C -0.587 174.085 174.600 0.120 0.000 1.138 205 S CA -0.231 58.022 58.200 0.089 0.000 0.844 205 S CB 1.441 64.749 63.200 0.179 0.000 1.127 205 S HN 1.417 nan 8.310 nan 0.000 0.474 206 G N 0.550 109.376 108.800 0.043 0.000 2.462 206 G HA2 0.458 4.419 3.960 0.001 0.000 0.319 206 G HA3 0.458 4.419 3.960 0.001 0.000 0.319 206 G C 0.816 175.738 174.900 0.038 0.000 1.171 206 G CA 0.051 45.179 45.100 0.046 0.000 0.920 206 G HN 1.004 nan 8.290 nan 0.000 0.499 207 S N -0.827 114.901 115.700 0.046 0.000 2.503 207 S HA -0.065 4.406 4.470 0.001 0.000 0.217 207 S C 1.545 176.172 174.600 0.046 0.000 0.999 207 S CA 0.692 58.918 58.200 0.044 0.000 0.914 207 S CB 0.165 63.398 63.200 0.054 0.000 0.782 207 S HN 0.662 nan 8.310 nan 0.000 0.520 208 Q N 0.413 120.241 119.800 0.047 0.000 2.280 208 Q HA 0.356 4.697 4.340 0.001 0.000 0.201 208 Q C 0.343 176.370 176.000 0.045 0.000 0.890 208 Q CA 0.033 55.866 55.803 0.050 0.000 0.947 208 Q CB 0.130 28.902 28.738 0.057 0.000 1.081 208 Q HN 0.264 nan 8.270 nan 0.000 0.502 209 K N 1.349 121.768 120.400 0.031 0.000 4.085 209 K HA 0.479 4.800 4.320 0.001 0.000 0.195 209 K C 1.605 178.229 176.600 0.041 0.000 1.134 209 K CA 0.948 57.250 56.287 0.025 0.000 1.809 209 K CB -0.733 31.761 32.500 -0.010 0.000 2.561 209 K HN 0.009 nan 8.250 nan 0.000 0.604 210 A N 0.567 123.401 122.820 0.024 0.000 2.076 210 A HA -0.114 4.207 4.320 0.001 0.000 0.220 210 A C 1.789 179.418 177.584 0.076 0.000 1.160 210 A CA 1.407 53.482 52.037 0.063 0.000 0.653 210 A CB -0.543 18.425 19.000 -0.053 0.000 0.801 210 A HN 0.312 nan 8.150 nan 0.000 0.455 211 L N -0.467 120.785 121.223 0.048 0.000 2.395 211 L HA 0.023 4.364 4.340 0.001 0.000 0.218 211 L C 0.416 177.320 176.870 0.057 0.000 1.130 211 L CA 1.227 56.098 54.840 0.051 0.000 0.826 211 L CB -1.337 40.744 42.059 0.036 0.000 0.941 211 L HN 0.646 nan 8.230 nan 0.000 0.451 212 N N -1.489 117.247 118.700 0.060 0.000 2.758 212 N HA -0.185 4.556 4.740 0.001 0.000 0.248 212 N C 0.029 175.572 175.510 0.055 0.000 1.076 212 N CA 0.331 53.416 53.050 0.058 0.000 0.696 212 N CB -1.093 37.429 38.487 0.059 0.000 0.979 212 N HN 0.430 nan 8.380 nan 0.000 0.550 213 A N 0.297 123.150 122.820 0.055 0.000 2.311 213 A HA 0.775 5.095 4.320 0.001 0.000 0.334 213 A C -2.194 175.426 177.584 0.059 0.000 1.139 213 A CA -1.441 50.631 52.037 0.059 0.000 0.830 213 A CB 1.058 20.094 19.000 0.060 0.000 1.234 213 A HN 0.014 nan 8.150 nan 0.000 0.483 214 P HA 0.225 nan 4.420 nan 0.000 0.272 214 P C -2.671 174.667 177.300 0.064 0.000 1.223 214 P CA -0.962 62.174 63.100 0.060 0.000 0.784 214 P CB -0.219 31.516 31.700 0.058 0.000 0.923 215 P HA 0.113 nan 4.420 nan 0.000 0.272 215 P C 0.803 178.148 177.300 0.075 0.000 1.230 215 P CA 0.583 63.725 63.100 0.070 0.000 0.788 215 P CB 0.273 32.015 31.700 0.071 0.000 0.949 216 G N -0.238 108.613 108.800 0.085 0.000 2.380 216 G HA2 -0.127 3.834 3.960 0.001 0.000 0.197 216 G HA3 -0.127 3.834 3.960 0.001 0.000 0.197 216 G C 0.208 175.173 174.900 0.108 0.000 1.001 216 G CA 0.300 45.457 45.100 0.095 0.000 0.668 216 G HN 0.897 nan 8.290 nan 0.000 0.483 217 T N -0.706 113.908 114.554 0.099 0.000 2.938 217 T HA 0.841 5.192 4.350 0.001 0.000 0.285 217 T C -0.091 174.657 174.700 0.080 0.000 1.028 217 T CA 0.398 62.560 62.100 0.102 0.000 1.005 217 T CB 2.197 71.131 68.868 0.109 0.000 1.157 217 T HN 1.650 nan 8.240 nan 0.000 0.550 218 S N 0.030 115.766 115.700 0.061 0.000 2.550 218 S HA 0.665 5.135 4.470 0.001 0.000 0.270 218 S C -1.248 173.358 174.600 0.009 0.000 1.145 218 S CA -1.199 57.035 58.200 0.058 0.000 0.852 218 S CB 0.891 64.141 63.200 0.083 0.000 1.119 218 S HN 0.828 nan 8.310 nan 0.000 0.465 219 L N 2.018 123.261 121.223 0.035 0.000 2.325 219 L HA 0.740 5.080 4.340 0.001 0.000 0.278 219 L C -0.637 176.299 176.870 0.111 0.000 1.023 219 L CA -0.848 53.967 54.840 -0.041 0.000 0.811 219 L CB 1.392 43.340 42.059 -0.186 0.000 1.249 219 L HN 0.761 nan 8.230 nan 0.000 0.431 220 I N 1.082 121.660 120.570 0.012 0.000 2.802 220 I HA 0.507 4.677 4.170 0.001 0.000 0.298 220 I C -1.007 175.107 176.117 -0.006 0.000 1.176 220 I CA 0.043 61.364 61.300 0.036 0.000 1.025 220 I CB 2.506 40.428 38.000 -0.130 0.000 1.243 220 I HN 0.625 nan 8.210 nan 0.000 0.424 221 S N 5.268 120.917 115.700 -0.084 0.000 2.548 221 S HA 0.692 5.163 4.470 0.001 0.000 0.276 221 S C -1.539 172.868 174.600 -0.320 0.000 1.129 221 S CA -0.356 57.807 58.200 -0.063 0.000 0.931 221 S CB 0.917 64.273 63.200 0.260 0.000 1.068 221 S HN 0.356 nan 8.310 nan 0.000 0.480 222 F N 2.662 122.671 119.950 0.097 0.000 2.482 222 F HA 0.471 4.999 4.527 0.001 0.000 0.331 222 F C 0.932 176.774 175.800 0.071 0.000 1.115 222 F CA -0.681 57.365 58.000 0.075 0.000 0.955 222 F CB 1.979 41.021 39.000 0.070 0.000 1.136 222 F HN 0.563 nan 8.300 nan 0.000 0.452 223 S N 0.590 116.437 115.700 0.245 0.000 2.603 223 S HA 0.102 4.573 4.470 0.001 0.000 0.268 223 S C 0.654 175.344 174.600 0.151 0.000 1.317 223 S CA -0.730 57.570 58.200 0.167 0.000 1.012 223 S CB 0.976 64.263 63.200 0.146 0.000 0.926 223 S HN 0.622 nan 8.310 nan 0.000 0.539 224 D N 0.866 121.327 120.400 0.102 0.000 2.228 224 D HA -0.136 4.505 4.640 0.001 0.000 0.203 224 D C 1.667 177.998 176.300 0.051 0.000 0.988 224 D CA 1.422 55.459 54.000 0.062 0.000 0.864 224 D CB -0.127 40.697 40.800 0.041 0.000 0.928 224 D HN 0.753 nan 8.370 nan 0.000 0.469 225 K N 0.443 120.878 120.400 0.059 0.000 1.973 225 K HA -0.053 4.267 4.320 0.001 0.000 0.210 225 K C 2.053 178.677 176.600 0.040 0.000 1.045 225 K CA 1.271 57.574 56.287 0.027 0.000 0.937 225 K CB -0.157 32.339 32.500 -0.007 0.000 0.721 225 K HN 0.004 nan 8.250 nan 0.000 0.438 226 A N 1.667 124.537 122.820 0.083 0.000 2.024 226 A HA -0.221 4.100 4.320 0.001 0.000 0.220 226 A C 2.056 179.668 177.584 0.047 0.000 1.164 226 A CA 1.924 54.024 52.037 0.104 0.000 0.643 226 A CB -0.522 18.628 19.000 0.249 0.000 0.806 226 A HN 0.492 nan 8.150 nan 0.000 0.451 227 K N -0.048 120.395 120.400 0.071 0.000 1.985 227 K HA -0.202 4.119 4.320 0.001 0.000 0.210 227 K C 2.185 178.839 176.600 0.089 0.000 1.047 227 K CA 1.861 58.182 56.287 0.058 0.000 0.932 227 K CB -0.258 32.281 32.500 0.065 0.000 0.716 227 K HN 0.395 nan 8.250 nan 0.000 0.439 228 K N 1.022 121.449 120.400 0.044 0.000 2.074 228 K HA -0.255 4.066 4.320 0.001 0.000 0.209 228 K C 2.141 178.766 176.600 0.041 0.000 1.048 228 K CA 2.048 58.357 56.287 0.038 0.000 0.926 228 K CB -0.100 32.405 32.500 0.008 0.000 0.713 228 K HN 0.079 nan 8.250 nan 0.000 0.444 229 K N 0.358 120.767 120.400 0.015 0.000 2.057 229 K HA -0.125 4.196 4.320 0.001 0.000 0.207 229 K C 2.018 178.598 176.600 -0.033 0.000 1.049 229 K CA 1.673 57.956 56.287 -0.007 0.000 0.931 229 K CB -0.050 32.443 32.500 -0.013 0.000 0.714 229 K HN 0.141 nan 8.250 nan 0.000 0.440 230 M N -0.668 118.897 119.600 -0.058 0.000 2.132 230 M HA -0.133 4.348 4.480 0.001 0.000 0.263 230 M C 1.098 177.295 176.300 -0.172 0.000 1.065 230 M CA 1.455 56.658 55.300 -0.161 0.000 1.122 230 M CB -0.055 32.365 32.600 -0.300 0.000 1.365 230 M HN 0.134 nan 8.290 nan 0.000 0.411 231 Y N -0.308 119.917 120.300 -0.124 0.000 2.477 231 Y HA 0.022 4.572 4.550 0.001 0.000 0.303 231 Y C 1.220 177.074 175.900 -0.077 0.000 1.202 231 Y CA 0.257 58.296 58.100 -0.102 0.000 1.282 231 Y CB -0.008 38.396 38.460 -0.093 0.000 1.071 231 Y HN 0.219 nan 8.280 nan 0.000 0.510 232 S N -0.915 114.805 115.700 0.033 0.000 2.949 232 S HA 0.299 4.770 4.470 0.001 0.000 0.246 232 S C -0.296 174.292 174.600 -0.020 0.000 0.899 232 S CA -1.047 57.160 58.200 0.012 0.000 1.091 232 S CB -0.318 62.897 63.200 0.025 0.000 1.199 232 S HN 0.335 nan 8.310 nan 0.000 0.507 233 R N -0.084 120.385 120.500 -0.053 0.000 2.532 233 R HA 0.665 5.006 4.340 0.001 0.000 0.272 233 R C 0.314 176.581 176.300 -0.055 0.000 1.032 233 R CA -0.910 55.153 56.100 -0.062 0.000 1.089 233 R CB 0.607 30.848 30.300 -0.098 0.000 1.098 233 R HN -0.023 nan 8.270 nan 0.000 0.526 234 K N 0.153 120.525 120.400 -0.046 0.000 2.334 234 K HA 0.143 4.464 4.320 0.001 0.000 0.195 234 K C -0.112 176.462 176.600 -0.044 0.000 1.045 234 K CA 0.692 56.958 56.287 -0.034 0.000 1.004 234 K CB 0.473 32.963 32.500 -0.017 0.000 0.837 234 K HN 0.628 nan 8.250 nan 0.000 0.510 235 T N 1.234 115.747 114.554 -0.068 0.000 2.913 235 T HA 0.249 4.599 4.350 0.001 0.000 0.287 235 T C -0.398 174.219 174.700 -0.140 0.000 1.008 235 T CA -0.359 61.684 62.100 -0.095 0.000 1.067 235 T CB 1.015 69.807 68.868 -0.126 0.000 0.996 235 T HN -0.062 nan 8.240 nan 0.000 0.513 236 K N 3.501 123.822 120.400 -0.133 0.000 2.172 236 K HA 0.316 4.636 4.320 0.001 0.000 0.276 236 K C -2.155 174.285 176.600 -0.267 0.000 1.013 236 K CA -1.875 54.336 56.287 -0.128 0.000 0.913 236 K CB 0.800 33.284 32.500 -0.027 0.000 1.055 236 K HN 0.388 nan 8.250 nan 0.000 0.461 237 P HA -0.078 nan 4.420 nan 0.000 0.266 237 P C 0.144 177.248 177.300 -0.327 0.000 1.195 237 P CA 0.310 63.167 63.100 -0.405 0.000 0.768 237 P CB 0.353 31.914 31.700 -0.232 0.000 0.838 238 F N -0.140 119.819 119.950 0.015 0.000 2.192 238 F HA -0.154 4.373 4.527 0.001 0.000 0.301 238 F C 1.872 177.703 175.800 0.053 0.000 1.079 238 F CA 1.021 59.038 58.000 0.028 0.000 1.303 238 F CB -0.356 38.652 39.000 0.013 0.000 1.024 238 F HN 0.263 nan 8.300 nan 0.000 0.494 239 S N -0.693 115.105 115.700 0.164 0.000 2.525 239 S HA 0.204 4.675 4.470 0.001 0.000 0.278 239 S C 0.382 175.072 174.600 0.150 0.000 1.234 239 S CA -0.768 57.526 58.200 0.157 0.000 1.058 239 S CB 0.921 64.196 63.200 0.126 0.000 0.983 239 S HN 0.212 nan 8.310 nan 0.000 0.495 240 F N 4.713 124.692 119.950 0.048 0.000 2.317 240 F HA 0.178 4.706 4.527 0.001 0.000 0.290 240 F C 1.592 177.442 175.800 0.083 0.000 1.075 240 F CA 0.592 58.599 58.000 0.012 0.000 1.380 240 F CB -0.510 38.453 39.000 -0.062 0.000 1.093 240 F HN 0.834 nan 8.300 nan 0.000 0.524 241 Y N 1.015 121.314 120.300 -0.002 0.000 2.333 241 Y HA -0.079 4.472 4.550 0.001 0.000 0.290 241 Y C 1.230 177.076 175.900 -0.091 0.000 1.144 241 Y CA 1.707 59.746 58.100 -0.103 0.000 1.228 241 Y CB -0.247 38.167 38.460 -0.076 0.000 0.985 241 Y HN 0.090 nan 8.280 nan 0.000 0.542 242 L N 0.134 121.348 121.223 -0.014 0.000 2.769 242 L HA 0.117 4.458 4.340 0.001 0.000 0.240 242 L C 0.173 176.967 176.870 -0.127 0.000 1.163 242 L CA -0.088 54.699 54.840 -0.088 0.000 0.962 242 L CB -0.115 41.947 42.059 0.005 0.000 1.258 242 L HN 0.024 nan 8.230 nan 0.000 0.513 243 D N 1.423 121.707 120.400 -0.193 0.000 2.346 243 D HA -0.037 4.603 4.640 0.001 0.000 0.260 243 D C 1.116 177.295 176.300 -0.202 0.000 1.252 243 D CA -0.035 53.854 54.000 -0.185 0.000 0.895 243 D CB 1.384 42.091 40.800 -0.155 0.000 1.097 243 D HN 0.081 nan 8.370 nan 0.000 0.489 244 I N 5.153 125.603 120.570 -0.199 0.000 2.423 244 I HA -0.250 3.921 4.170 0.001 0.000 0.254 244 I C 2.017 178.007 176.117 -0.211 0.000 1.151 244 I CA 1.430 62.613 61.300 -0.196 0.000 1.421 244 I CB 0.073 37.886 38.000 -0.311 0.000 1.079 244 I HN 0.350 nan 8.210 nan 0.000 0.431 245 K N -0.943 119.279 120.400 -0.298 0.000 2.057 245 K HA -0.201 4.120 4.320 0.001 0.000 0.207 245 K C 1.926 178.407 176.600 -0.199 0.000 1.049 245 K CA 2.108 58.197 56.287 -0.331 0.000 0.931 245 K CB -0.395 31.873 32.500 -0.387 0.000 0.714 245 K HN 0.352 nan 8.250 nan 0.000 0.440 246 W N 0.624 121.721 121.300 -0.338 0.000 2.441 246 W HA -0.066 4.595 4.660 0.001 0.000 0.302 246 W C 1.885 178.208 176.519 -0.327 0.000 1.191 246 W CA 0.057 57.152 57.345 -0.417 0.000 1.327 246 W CB -0.393 28.520 29.460 -0.911 0.000 1.128 246 W HN -0.033 nan 8.180 nan 0.000 0.522 247 L N 0.706 121.863 121.223 -0.111 0.000 1.989 247 L HA -0.204 4.137 4.340 0.001 0.000 0.211 247 L C 2.486 179.537 176.870 0.302 0.000 1.071 247 L CA 2.421 57.326 54.840 0.109 0.000 0.749 247 L CB -1.769 40.294 42.059 0.006 0.000 0.890 247 L HN 0.031 nan 8.230 nan 0.000 0.431 248 A N -0.564 122.355 122.820 0.164 0.000 1.908 248 A HA -0.296 4.024 4.320 0.001 0.000 0.218 248 A C 2.219 179.919 177.584 0.195 0.000 1.181 248 A CA 2.086 54.242 52.037 0.199 0.000 0.627 248 A CB -0.956 18.149 19.000 0.175 0.000 0.818 248 A HN 0.669 nan 8.150 nan 0.000 0.445 249 N N -1.320 117.461 118.700 0.134 0.000 2.120 249 N HA -0.199 4.542 4.740 0.001 0.000 0.188 249 N C 1.740 177.311 175.510 0.101 0.000 1.024 249 N CA 1.844 54.942 53.050 0.079 0.000 0.852 249 N CB -0.337 38.155 38.487 0.010 0.000 1.003 249 N HN 0.382 nan 8.380 nan 0.000 0.424 250 F N 0.593 120.585 119.950 0.069 0.000 2.134 250 F HA -0.044 4.483 4.527 0.001 0.000 0.299 250 F C 1.296 177.019 175.800 -0.127 0.000 1.097 250 F CA 1.065 59.059 58.000 -0.010 0.000 1.264 250 F CB -0.760 38.266 39.000 0.042 0.000 1.001 250 F HN 0.076 nan 8.300 nan 0.000 0.479 251 W N 0.862 122.113 121.300 -0.081 0.000 3.096 251 W HA 0.255 4.916 4.660 0.001 0.000 0.241 251 W C 1.714 178.132 176.519 -0.170 0.000 1.316 251 W CA 0.987 58.251 57.345 -0.135 0.000 1.520 251 W CB -0.695 28.779 29.460 0.024 0.000 1.128 251 W HN 0.305 nan 8.180 nan 0.000 0.707 252 G N -0.906 107.838 108.800 -0.093 0.000 2.160 252 G HA2 -0.365 3.596 3.960 0.001 0.000 0.251 252 G HA3 -0.365 3.596 3.960 0.001 0.000 0.251 252 G C 0.631 175.531 174.900 -0.001 0.000 1.008 252 G CA 0.312 45.348 45.100 -0.106 0.000 0.724 252 G HN 0.366 nan 8.290 nan 0.000 0.514 253 C N -0.142 119.196 119.300 0.063 0.000 2.539 253 C HA 0.273 4.734 4.460 0.001 0.000 0.268 253 C C 1.375 176.375 174.990 0.018 0.000 1.395 253 C CA -0.092 58.964 59.018 0.063 0.000 1.757 253 C CB -0.592 27.216 27.740 0.113 0.000 1.851 253 C HN 0.553 nan 8.230 nan 0.000 0.545 254 D N 1.147 121.548 120.400 0.003 0.000 2.478 254 D HA 0.123 4.764 4.640 0.001 0.000 0.269 254 D C 0.924 177.199 176.300 -0.042 0.000 1.232 254 D CA -0.009 53.976 54.000 -0.026 0.000 1.059 254 D CB 0.292 41.081 40.800 -0.018 0.000 1.104 254 D HN 0.324 nan 8.370 nan 0.000 0.566 255 D N -1.099 119.272 120.400 -0.049 0.000 2.360 255 D HA -0.055 4.586 4.640 0.001 0.000 0.210 255 D C -0.028 176.247 176.300 -0.043 0.000 1.047 255 D CA 0.071 54.044 54.000 -0.046 0.000 0.854 255 D CB 0.386 41.157 40.800 -0.048 0.000 0.936 255 D HN 0.097 nan 8.370 nan 0.000 0.514 256 Q N 1.130 120.903 119.800 -0.044 0.000 2.205 256 Q HA 0.452 4.793 4.340 0.001 0.000 0.249 256 Q C -2.363 173.608 176.000 -0.047 0.000 0.948 256 Q CA -1.984 53.794 55.803 -0.042 0.000 0.895 256 Q CB 0.881 29.592 28.738 -0.045 0.000 1.249 256 Q HN 0.032 nan 8.270 nan 0.000 0.458 257 P HA 0.056 nan 4.420 nan 0.000 0.268 257 P C -0.596 176.684 177.300 -0.033 0.000 1.205 257 P CA 0.017 63.095 63.100 -0.037 0.000 0.771 257 P CB 0.482 32.182 31.700 0.000 0.000 0.858 258 R N 2.618 123.061 120.500 -0.095 0.000 2.458 258 R HA 0.168 4.509 4.340 0.001 0.000 0.303 258 R C 0.297 176.696 176.300 0.165 0.000 1.013 258 R CA 0.254 56.312 56.100 -0.069 0.000 1.026 258 R CB -0.161 29.882 30.300 -0.428 0.000 0.948 258 R HN 0.557 nan 8.270 nan 0.000 0.417 259 M N 3.509 123.266 119.600 0.261 0.000 2.404 259 M HA 0.165 4.645 4.480 0.001 0.000 0.338 259 M C -0.869 175.719 176.300 0.480 0.000 1.150 259 M CA -1.073 54.423 55.300 0.326 0.000 1.016 259 M CB 1.164 33.885 32.600 0.201 0.000 1.672 259 M HN 0.541 nan 8.290 nan 0.000 0.448 260 Y N 4.713 125.211 120.300 0.329 0.000 2.745 260 Y HA -0.045 4.506 4.550 0.001 0.000 0.335 260 Y C 0.329 176.390 175.900 0.269 0.000 1.212 260 Y CA 1.243 59.458 58.100 0.191 0.000 1.535 260 Y CB 0.058 38.591 38.460 0.123 0.000 1.220 260 Y HN 0.756 nan 8.280 nan 0.000 0.531 261 H N 5.374 123.957 119.070 -0.812 0.000 2.329 261 H HA 0.115 4.672 4.556 0.001 0.000 0.285 261 H C -0.308 174.423 175.328 -0.994 0.000 1.062 261 H CA 0.746 56.387 56.048 -0.678 0.000 1.511 261 H CB 0.521 30.184 29.762 -0.165 0.000 1.471 261 H HN 0.764 nan 8.280 nan 0.000 0.613 262 H N -0.331 118.171 119.070 -0.946 0.000 2.977 262 H HA 0.288 4.845 4.556 0.001 0.000 0.350 262 H C -1.129 174.090 175.328 -0.181 0.000 1.238 262 H CA -0.719 55.019 56.048 -0.516 0.000 1.124 262 H CB 0.994 30.553 29.762 -0.339 0.000 1.866 262 H HN 0.031 nan 8.280 nan 0.000 0.550 263 T N 3.752 118.257 114.554 -0.082 0.000 2.727 263 T HA 0.277 4.627 4.350 0.001 0.000 0.295 263 T C 1.147 175.735 174.700 -0.185 0.000 0.915 263 T CA -0.601 61.431 62.100 -0.114 0.000 1.066 263 T CB -0.739 68.152 68.868 0.038 0.000 0.891 263 T HN 0.449 nan 8.240 nan 0.000 0.516 264 I N 2.732 123.131 120.570 -0.284 0.000 2.892 264 I HA 0.286 4.457 4.170 0.001 0.000 0.287 264 I C -1.841 174.308 176.117 0.054 0.000 1.205 264 I CA -2.175 59.092 61.300 -0.055 0.000 1.409 264 I CB 0.039 38.070 38.000 0.052 0.000 1.367 264 I HN 0.296 nan 8.210 nan 0.000 0.597 265 P HA 0.111 nan 4.420 nan 0.000 0.237 265 P C 1.084 178.385 177.300 0.002 0.000 1.788 265 P CA -0.207 62.939 63.100 0.076 0.000 1.061 265 P CB 0.685 32.459 31.700 0.125 0.000 1.967 266 V N 3.183 123.054 119.914 -0.071 0.000 2.236 266 V HA -0.316 3.805 4.120 0.001 0.000 0.255 266 V C 2.485 178.276 176.094 -0.504 0.000 1.068 266 V CA 2.007 64.174 62.300 -0.221 0.000 1.044 266 V CB -0.899 30.777 31.823 -0.246 0.000 0.653 266 V HN 0.299 nan 8.190 nan 0.000 0.448 267 I N 0.116 120.402 120.570 -0.473 0.000 2.208 267 I HA -0.191 3.980 4.170 0.001 0.000 0.245 267 I C 2.569 178.575 176.117 -0.186 0.000 1.097 267 I CA 1.799 62.806 61.300 -0.489 0.000 1.363 267 I CB -1.642 36.227 38.000 -0.218 0.000 1.051 267 I HN 0.297 nan 8.210 nan 0.000 0.413 268 S N 0.733 116.392 115.700 -0.068 0.000 2.419 268 S HA -0.046 4.425 4.470 0.001 0.000 0.233 268 S C 2.098 176.746 174.600 0.080 0.000 1.016 268 S CA 0.860 59.080 58.200 0.033 0.000 0.974 268 S CB -0.223 63.015 63.200 0.063 0.000 0.786 268 S HN 0.391 nan 8.310 nan 0.000 0.492 269 L N -0.072 121.195 121.223 0.074 0.000 2.109 269 L HA -0.093 4.248 4.340 0.001 0.000 0.207 269 L C 2.225 179.240 176.870 0.242 0.000 1.086 269 L CA 1.044 55.986 54.840 0.171 0.000 0.760 269 L CB -0.679 41.496 42.059 0.194 0.000 0.910 269 L HN 0.289 nan 8.230 nan 0.000 0.437 270 Y N 0.426 120.770 120.300 0.073 0.000 2.081 270 Y HA -0.259 4.291 4.550 0.001 0.000 0.280 270 Y C 3.014 178.945 175.900 0.051 0.000 1.163 270 Y CA 1.022 59.154 58.100 0.052 0.000 1.135 270 Y CB -1.311 37.172 38.460 0.039 0.000 0.970 270 Y HN 0.126 nan 8.280 nan 0.000 0.498 271 S N 0.034 115.872 115.700 0.231 0.000 2.359 271 S HA -0.174 4.296 4.470 0.001 0.000 0.224 271 S C 2.133 176.800 174.600 0.113 0.000 1.035 271 S CA 1.331 59.616 58.200 0.142 0.000 1.018 271 S CB -0.774 62.492 63.200 0.111 0.000 0.876 271 S HN 0.350 nan 8.310 nan 0.000 0.448 272 L N 2.140 123.434 121.223 0.118 0.000 2.083 272 L HA -0.003 4.337 4.340 0.001 0.000 0.209 272 L C 2.396 179.319 176.870 0.089 0.000 1.083 272 L CA 1.609 56.506 54.840 0.096 0.000 0.752 272 L CB -0.525 41.596 42.059 0.103 0.000 0.899 272 L HN 0.088 nan 8.230 nan 0.000 0.433 273 R N 0.098 120.667 120.500 0.114 0.000 2.080 273 R HA -0.169 4.172 4.340 0.001 0.000 0.236 273 R C 2.014 178.350 176.300 0.060 0.000 1.137 273 R CA 1.879 58.034 56.100 0.093 0.000 0.943 273 R CB -0.546 29.822 30.300 0.113 0.000 0.846 273 R HN 0.473 nan 8.270 nan 0.000 0.431 274 E N 0.377 120.615 120.200 0.063 0.000 2.204 274 E HA -0.104 4.247 4.350 0.001 0.000 0.194 274 E C 1.799 178.422 176.600 0.038 0.000 0.989 274 E CA 1.443 57.867 56.400 0.041 0.000 0.824 274 E CB -0.081 29.645 29.700 0.044 0.000 0.756 274 E HN 0.482 nan 8.360 nan 0.000 0.477 275 S N 0.040 115.768 115.700 0.048 0.000 2.446 275 S HA 0.020 4.491 4.470 0.001 0.000 0.225 275 S C 2.095 176.718 174.600 0.038 0.000 1.016 275 S CA 0.177 58.404 58.200 0.044 0.000 0.943 275 S CB -0.206 63.023 63.200 0.050 0.000 0.786 275 S HN 0.145 nan 8.310 nan 0.000 0.508 276 L N 0.975 122.220 121.223 0.037 0.000 2.131 276 L HA 0.148 4.488 4.340 0.001 0.000 0.206 276 L C 3.159 180.041 176.870 0.019 0.000 1.087 276 L CA 0.941 55.801 54.840 0.035 0.000 0.767 276 L CB -0.705 41.371 42.059 0.030 0.000 0.917 276 L HN 0.466 nan 8.230 nan 0.000 0.441 277 A N -0.026 122.798 122.820 0.007 0.000 1.902 277 A HA -0.203 4.117 4.320 0.001 0.000 0.217 277 A C 2.123 179.697 177.584 -0.017 0.000 1.181 277 A CA 1.436 53.463 52.037 -0.017 0.000 0.623 277 A CB -0.559 18.435 19.000 -0.011 0.000 0.818 277 A HN 0.241 nan 8.150 nan 0.000 0.443 278 L N -0.617 120.608 121.223 0.003 0.000 2.012 278 L HA -0.110 4.231 4.340 0.001 0.000 0.210 278 L C 2.361 179.237 176.870 0.010 0.000 1.073 278 L CA 1.846 56.690 54.840 0.006 0.000 0.748 278 L CB -0.655 41.416 42.059 0.020 0.000 0.891 278 L HN 0.537 nan 8.230 nan 0.000 0.431 279 I N -1.226 119.362 120.570 0.030 0.000 2.546 279 I HA -0.193 3.977 4.170 0.001 0.000 0.255 279 I C 2.310 178.461 176.117 0.057 0.000 1.163 279 I CA 0.957 62.287 61.300 0.051 0.000 1.457 279 I CB -0.019 38.027 38.000 0.076 0.000 1.092 279 I HN 0.199 nan 8.210 nan 0.000 0.434 280 A N 0.186 123.004 122.820 -0.004 0.000 1.969 280 A HA -0.202 4.119 4.320 0.001 0.000 0.218 280 A C 2.131 179.626 177.584 -0.148 0.000 1.169 280 A CA 1.607 53.541 52.037 -0.172 0.000 0.635 280 A CB -0.483 18.362 19.000 -0.257 0.000 0.810 280 A HN 0.528 nan 8.150 nan 0.000 0.445 281 E N -0.928 119.224 120.200 -0.081 0.000 2.072 281 E HA -0.186 4.165 4.350 0.001 0.000 0.190 281 E C 2.257 178.829 176.600 -0.047 0.000 0.982 281 E CA 1.140 57.501 56.400 -0.064 0.000 0.803 281 E CB -0.097 29.577 29.700 -0.043 0.000 0.755 281 E HN 0.785 nan 8.360 nan 0.000 0.453 282 Q N 0.142 119.924 119.800 -0.030 0.000 2.049 282 Q HA -0.023 4.318 4.340 0.001 0.000 0.198 282 Q C 0.201 176.180 176.000 -0.036 0.000 0.971 282 Q CA 1.126 56.914 55.803 -0.026 0.000 0.833 282 Q CB 0.322 29.052 28.738 -0.013 0.000 0.896 282 Q HN 0.203 nan 8.270 nan 0.000 0.434 283 G N -0.283 108.505 108.800 -0.021 0.000 3.067 283 G HA2 -0.181 3.779 3.960 0.001 0.000 0.686 283 G HA3 -0.181 3.779 3.960 0.001 0.000 0.686 283 G C -0.029 174.778 174.900 -0.154 0.000 1.119 283 G CA -0.147 44.943 45.100 -0.016 0.000 0.790 283 G HN 0.273 nan 8.290 nan 0.000 0.605 284 L N 1.031 122.090 121.223 -0.273 0.000 2.043 284 L HA -0.154 4.187 4.340 0.001 0.000 0.212 284 L C 2.884 178.960 176.870 -1.323 0.000 1.075 284 L CA 2.440 56.766 54.840 -0.857 0.000 0.752 284 L CB -0.306 41.047 42.059 -1.177 0.000 0.891 284 L HN 0.843 nan 8.230 nan 0.000 0.432 285 E N -0.271 119.391 120.200 -0.897 0.000 2.077 285 E HA -0.198 4.153 4.350 0.001 0.000 0.193 285 E C 1.949 178.449 176.600 -0.165 0.000 0.989 285 E CA 1.201 57.316 56.400 -0.476 0.000 0.800 285 E CB -0.150 29.442 29.700 -0.180 0.000 0.746 285 E HN 0.516 nan 8.360 nan 0.000 0.452 286 N N 0.521 119.132 118.700 -0.148 0.000 2.106 286 N HA -0.128 4.612 4.740 0.001 0.000 0.188 286 N C 1.921 177.430 175.510 -0.001 0.000 1.029 286 N CA 1.018 54.042 53.050 -0.043 0.000 0.848 286 N CB -0.554 37.909 38.487 -0.040 0.000 1.007 286 N HN -0.003 nan 8.380 nan 0.000 0.423 287 S N 0.159 115.828 115.700 -0.051 0.000 2.387 287 S HA -0.130 4.341 4.470 0.001 0.000 0.230 287 S C 1.572 176.364 174.600 0.321 0.000 1.035 287 S CA 0.980 59.243 58.200 0.104 0.000 1.014 287 S CB -0.270 62.964 63.200 0.058 0.000 0.836 287 S HN 0.378 nan 8.310 nan 0.000 0.466 288 W N 1.825 123.182 121.300 0.094 0.000 2.388 288 W HA 0.128 4.789 4.660 0.002 0.000 0.294 288 W C 2.733 179.298 176.519 0.076 0.000 1.212 288 W CA 0.390 57.771 57.345 0.060 0.000 1.271 288 W CB -1.177 28.285 29.460 0.002 0.000 1.126 288 W HN 0.389 nan 8.180 nan 0.000 0.535 289 R N 0.806 121.473 120.500 0.279 0.000 2.073 289 R HA -0.169 4.172 4.340 0.001 0.000 0.229 289 R C 2.219 178.583 176.300 0.107 0.000 1.120 289 R CA 1.687 57.884 56.100 0.161 0.000 0.967 289 R CB -0.620 29.742 30.300 0.104 0.000 0.862 289 R HN 0.208 nan 8.270 nan 0.000 0.436 290 Q N -0.259 119.591 119.800 0.084 0.000 2.045 290 Q HA -0.245 4.095 4.340 0.001 0.000 0.206 290 Q C 1.720 177.692 176.000 -0.046 0.000 0.991 290 Q CA 2.241 58.034 55.803 -0.015 0.000 0.851 290 Q CB -0.160 28.529 28.738 -0.083 0.000 0.911 290 Q HN 0.543 nan 8.270 nan 0.000 0.418 291 H N -0.540 118.563 119.070 0.055 0.000 2.387 291 H HA -0.056 4.500 4.556 0.001 0.000 0.299 291 H C 2.133 177.470 175.328 0.015 0.000 1.090 291 H CA 1.704 57.776 56.048 0.040 0.000 1.332 291 H CB -0.062 29.734 29.762 0.056 0.000 1.386 291 H HN 0.203 nan 8.280 nan 0.000 0.516 292 R N 0.975 121.560 120.500 0.140 0.000 2.073 292 R HA -0.147 4.194 4.340 0.001 0.000 0.234 292 R C 1.812 178.115 176.300 0.005 0.000 1.134 292 R CA 1.696 57.832 56.100 0.060 0.000 0.952 292 R CB 0.028 30.369 30.300 0.069 0.000 0.850 292 R HN 0.435 nan 8.270 nan 0.000 0.433 293 E N -0.235 119.971 120.200 0.010 0.000 2.077 293 E HA -0.191 4.160 4.350 0.001 0.000 0.193 293 E C 1.914 178.503 176.600 -0.019 0.000 0.989 293 E CA 1.309 57.700 56.400 -0.016 0.000 0.800 293 E CB -0.096 29.589 29.700 -0.026 0.000 0.746 293 E HN 0.453 nan 8.360 nan 0.000 0.452 294 A N 1.336 124.145 122.820 -0.018 0.000 1.873 294 A HA -0.082 4.239 4.320 0.001 0.000 0.215 294 A C 2.395 179.969 177.584 -0.016 0.000 1.186 294 A CA 1.589 53.635 52.037 0.015 0.000 0.616 294 A CB -0.696 18.295 19.000 -0.016 0.000 0.823 294 A HN 0.297 nan 8.150 nan 0.000 0.442 295 A N -0.073 122.695 122.820 -0.086 0.000 1.940 295 A HA 0.106 4.427 4.320 0.001 0.000 0.219 295 A C 2.485 179.651 177.584 -0.696 0.000 1.176 295 A CA 2.231 54.098 52.037 -0.283 0.000 0.631 295 A CB -0.986 17.910 19.000 -0.173 0.000 0.814 295 A HN 1.047 nan 8.150 nan 0.000 0.446 296 A N -1.429 121.171 122.820 -0.366 0.000 1.877 296 A HA -0.102 4.218 4.320 0.001 0.000 0.216 296 A C 2.157 179.703 177.584 -0.064 0.000 1.186 296 A CA 1.705 53.593 52.037 -0.249 0.000 0.620 296 A CB -0.881 18.078 19.000 -0.069 0.000 0.822 296 A HN 0.677 nan 8.150 nan 0.000 0.443 297 Y N 0.212 120.434 120.300 -0.131 0.000 2.128 297 Y HA -0.195 4.355 4.550 0.001 0.000 0.284 297 Y C 2.076 177.952 175.900 -0.039 0.000 1.154 297 Y CA 1.741 59.803 58.100 -0.063 0.000 1.149 297 Y CB -0.644 37.785 38.460 -0.051 0.000 0.976 297 Y HN 0.255 nan 8.280 nan 0.000 0.505 298 L N -0.137 121.061 121.223 -0.041 0.000 2.079 298 L HA -0.234 4.107 4.340 0.001 0.000 0.210 298 L C 2.292 179.192 176.870 0.051 0.000 1.081 298 L CA 2.135 56.935 54.840 -0.066 0.000 0.752 298 L CB -0.932 41.141 42.059 0.024 0.000 0.896 298 L HN 0.387 nan 8.230 nan 0.000 0.433 299 H N -1.286 117.770 119.070 -0.023 0.000 2.353 299 H HA -0.073 4.484 4.556 0.001 0.000 0.300 299 H C 2.089 177.397 175.328 -0.034 0.000 1.090 299 H CA 0.507 56.544 56.048 -0.018 0.000 1.327 299 H CB -0.325 29.442 29.762 0.008 0.000 1.383 299 H HN 0.539 nan 8.280 nan 0.000 0.508 300 G N 1.253 110.108 108.800 0.092 0.000 2.545 300 G HA2 -0.285 3.676 3.960 0.001 0.000 0.217 300 G HA3 -0.285 3.676 3.960 0.001 0.000 0.217 300 G C 1.650 176.531 174.900 -0.032 0.000 1.218 300 G CA 0.729 45.847 45.100 0.030 0.000 0.787 300 G HN 0.297 nan 8.290 nan 0.000 0.571 301 R N 0.033 120.458 120.500 -0.125 0.000 2.113 301 R HA -0.083 4.257 4.340 0.001 0.000 0.244 301 R C 2.715 178.961 176.300 -0.090 0.000 1.142 301 R CA 1.373 57.380 56.100 -0.154 0.000 0.953 301 R CB -0.830 29.298 30.300 -0.286 0.000 0.860 301 R HN 0.369 nan 8.270 nan 0.000 0.438 302 L N 0.832 122.017 121.223 -0.063 0.000 2.012 302 L HA -0.233 4.108 4.340 0.001 0.000 0.210 302 L C 2.661 179.509 176.870 -0.036 0.000 1.073 302 L CA 1.560 56.372 54.840 -0.046 0.000 0.748 302 L CB -0.547 41.497 42.059 -0.025 0.000 0.891 302 L HN 0.275 nan 8.230 nan 0.000 0.431 303 Q N -0.360 119.427 119.800 -0.020 0.000 2.170 303 Q HA -0.180 4.161 4.340 0.001 0.000 0.203 303 Q C 2.376 178.365 176.000 -0.019 0.000 0.976 303 Q CA 1.424 57.217 55.803 -0.016 0.000 0.858 303 Q CB -0.230 28.506 28.738 -0.003 0.000 0.907 303 Q HN 0.569 nan 8.270 nan 0.000 0.433 304 A N 0.702 123.507 122.820 -0.025 0.000 1.969 304 A HA -0.103 4.218 4.320 0.001 0.000 0.218 304 A C 1.914 179.480 177.584 -0.031 0.000 1.169 304 A CA 0.857 52.879 52.037 -0.025 0.000 0.635 304 A CB -0.400 18.581 19.000 -0.032 0.000 0.810 304 A HN 0.292 nan 8.150 nan 0.000 0.445 305 L N -1.734 119.464 121.223 -0.042 0.000 2.478 305 L HA 0.103 4.444 4.340 0.001 0.000 0.223 305 L C 1.879 178.726 176.870 -0.038 0.000 1.140 305 L CA 0.733 55.544 54.840 -0.047 0.000 0.842 305 L CB -0.173 41.847 42.059 -0.066 0.000 0.953 305 L HN 0.616 nan 8.230 nan 0.000 0.452 306 G N -0.355 108.429 108.800 -0.028 0.000 2.238 306 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 306 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 306 G C 0.293 175.183 174.900 -0.016 0.000 0.996 306 G CA -0.357 44.733 45.100 -0.016 0.000 0.632 306 G HN 0.154 nan 8.290 nan 0.000 0.503 307 L N 1.441 122.645 121.223 -0.031 0.000 2.452 307 L HA 0.552 4.892 4.340 0.001 0.000 0.267 307 L C 0.915 177.773 176.870 -0.019 0.000 1.188 307 L CA -0.333 54.488 54.840 -0.030 0.000 0.821 307 L CB 0.756 42.785 42.059 -0.049 0.000 1.102 307 L HN 0.557 nan 8.230 nan 0.000 0.470 308 Q N 1.751 121.546 119.800 -0.009 0.000 2.345 308 Q HA 0.610 4.951 4.340 0.001 0.000 0.268 308 Q C -1.285 174.712 176.000 -0.004 0.000 1.054 308 Q CA -0.922 54.876 55.803 -0.009 0.000 0.835 308 Q CB 1.992 30.729 28.738 -0.003 0.000 1.339 308 Q HN 0.507 nan 8.270 nan 0.000 0.447 309 L N 3.312 124.518 121.223 -0.029 0.000 2.361 309 L HA 0.129 4.470 4.340 0.001 0.000 0.278 309 L C 0.870 177.750 176.870 0.017 0.000 1.113 309 L CA -0.435 54.385 54.840 -0.032 0.000 0.849 309 L CB 0.112 42.098 42.059 -0.121 0.000 1.155 309 L HN 0.801 nan 8.230 nan 0.000 0.452 310 F N 4.092 123.990 119.950 -0.086 0.000 2.087 310 F HA -0.167 4.361 4.527 0.001 0.000 0.299 310 F C 1.196 176.958 175.800 -0.065 0.000 1.100 310 F CA 1.130 59.088 58.000 -0.070 0.000 1.226 310 F CB 0.242 39.200 39.000 -0.070 0.000 0.983 310 F HN 0.137 nan 8.300 nan 0.000 0.479 311 V N 3.097 122.984 119.914 -0.044 0.000 2.338 311 V HA 0.059 4.180 4.120 0.001 0.000 0.255 311 V C -0.115 175.904 176.094 -0.125 0.000 1.082 311 V CA -0.441 61.785 62.300 -0.124 0.000 0.951 311 V CB 0.072 31.886 31.823 -0.015 0.000 1.102 311 V HN 0.069 nan 8.190 nan 0.000 0.489 312 K N 4.523 124.829 120.400 -0.156 0.000 2.262 312 K HA 0.418 4.739 4.320 0.001 0.000 0.288 312 K C -0.485 176.071 176.600 -0.073 0.000 1.090 312 K CA -0.022 56.201 56.287 -0.107 0.000 0.918 312 K CB 0.187 32.619 32.500 -0.113 0.000 1.139 312 K HN 0.713 nan 8.250 nan 0.000 0.462 313 D N 3.122 123.491 120.400 -0.052 0.000 3.385 313 D HA -0.042 4.599 4.640 0.001 0.000 0.128 313 D C -2.458 173.829 176.300 -0.021 0.000 0.834 313 D CA -0.719 53.263 54.000 -0.030 0.000 1.906 313 D CB 0.229 41.014 40.800 -0.025 0.000 1.914 313 D HN 0.166 nan 8.370 nan 0.000 0.878 314 P HA -0.109 nan 4.420 nan 0.000 0.217 314 P C 1.302 178.617 177.300 0.024 0.000 1.151 314 P CA 2.188 65.307 63.100 0.032 0.000 0.849 314 P CB 0.230 31.963 31.700 0.055 0.000 0.787 315 A N -1.092 121.727 122.820 -0.001 0.000 2.019 315 A HA -0.109 4.212 4.320 0.001 0.000 0.219 315 A C 1.926 179.483 177.584 -0.044 0.000 1.164 315 A CA 1.207 53.233 52.037 -0.019 0.000 0.644 315 A CB -1.333 17.650 19.000 -0.029 0.000 0.805 315 A HN 0.186 nan 8.150 nan 0.000 0.449 316 L N -0.918 120.277 121.223 -0.047 0.000 2.628 316 L HA 0.147 4.488 4.340 0.001 0.000 0.229 316 L C 0.387 177.240 176.870 -0.029 0.000 1.137 316 L CA -0.206 54.593 54.840 -0.068 0.000 0.909 316 L CB 0.029 42.046 42.059 -0.069 0.000 1.137 316 L HN 0.205 nan 8.230 nan 0.000 0.470 317 R N 1.088 121.587 120.500 -0.001 0.000 2.202 317 R HA 0.232 4.572 4.340 0.001 0.000 0.334 317 R C -0.485 175.839 176.300 0.041 0.000 1.036 317 R CA -0.784 55.332 56.100 0.027 0.000 0.878 317 R CB 1.167 31.498 30.300 0.052 0.000 1.067 317 R HN -0.066 nan 8.270 nan 0.000 0.457 318 L N 7.146 128.382 121.223 0.020 0.000 2.562 318 L HA 0.115 4.456 4.340 0.001 0.000 0.271 318 L C -1.864 175.031 176.870 0.041 0.000 1.167 318 L CA -1.492 53.342 54.840 -0.009 0.000 0.917 318 L CB 0.813 42.858 42.059 -0.024 0.000 1.187 318 L HN 0.483 nan 8.230 nan 0.000 0.482 319 P HA -0.173 nan 4.420 nan 0.000 0.214 319 P C 1.427 178.782 177.300 0.092 0.000 1.163 319 P CA 2.298 65.441 63.100 0.071 0.000 0.889 319 P CB -0.006 31.722 31.700 0.047 0.000 0.790 320 T N -4.035 110.545 114.554 0.043 0.000 2.881 320 T HA -0.023 4.328 4.350 0.001 0.000 0.270 320 T C 0.696 175.434 174.700 0.063 0.000 1.068 320 T CA 0.735 62.873 62.100 0.062 0.000 1.131 320 T CB -0.709 68.142 68.868 -0.028 0.000 0.871 320 T HN -0.135 nan 8.240 nan 0.000 0.479 321 V N 1.567 121.512 119.914 0.052 0.000 2.532 321 V HA 0.394 4.515 4.120 0.001 0.000 0.294 321 V C -0.538 175.593 176.094 0.061 0.000 1.036 321 V CA -0.895 61.438 62.300 0.054 0.000 0.876 321 V CB 1.893 33.742 31.823 0.043 0.000 1.012 321 V HN 0.291 nan 8.190 nan 0.000 0.432 322 T N 3.111 117.706 114.554 0.068 0.000 2.829 322 T HA 0.509 4.860 4.350 0.001 0.000 0.282 322 T C 0.205 174.911 174.700 0.010 0.000 0.990 322 T CA -0.404 61.729 62.100 0.056 0.000 1.028 322 T CB 1.281 70.207 68.868 0.095 0.000 0.951 322 T HN 0.793 nan 8.240 nan 0.000 0.460 323 T N 0.821 115.376 114.554 0.002 0.000 2.801 323 T HA 0.573 4.924 4.350 0.001 0.000 0.306 323 T C 0.031 174.737 174.700 0.008 0.000 1.020 323 T CA -0.753 61.327 62.100 -0.033 0.000 0.948 323 T CB 0.332 69.165 68.868 -0.058 0.000 0.962 323 T HN 0.281 nan 8.240 nan 0.000 0.465 324 V N 2.534 122.428 119.914 -0.032 0.000 2.644 324 V HA 0.705 4.826 4.120 0.001 0.000 0.295 324 V C 0.824 176.914 176.094 -0.007 0.000 1.053 324 V CA -1.088 61.206 62.300 -0.010 0.000 0.987 324 V CB 1.273 33.077 31.823 -0.032 0.000 1.006 324 V HN 1.144 nan 8.190 nan 0.000 0.472 325 A N 3.635 126.484 122.820 0.050 0.000 2.354 325 A HA 0.591 4.912 4.320 0.001 0.000 0.269 325 A C -0.128 177.465 177.584 0.015 0.000 1.109 325 A CA -0.382 51.695 52.037 0.067 0.000 0.800 325 A CB 0.517 19.596 19.000 0.132 0.000 1.045 325 A HN 0.689 nan 8.150 nan 0.000 0.489 326 V N 4.472 124.388 119.914 0.003 0.000 2.540 326 V HA 0.125 4.246 4.120 0.001 0.000 0.297 326 V C -1.781 174.352 176.094 0.065 0.000 1.024 326 V CA -0.609 61.709 62.300 0.029 0.000 1.105 326 V CB 0.226 32.089 31.823 0.066 0.000 0.938 326 V HN 0.835 nan 8.190 nan 0.000 0.482 327 P HA 0.259 nan 4.420 nan 0.000 0.271 327 P C 0.696 178.167 177.300 0.284 0.000 1.216 327 P CA 0.300 63.468 63.100 0.114 0.000 0.776 327 P CB 0.669 32.341 31.700 -0.045 0.000 0.881 328 A N 3.753 126.704 122.820 0.219 0.000 2.589 328 A HA -0.239 4.082 4.320 0.001 0.000 0.253 328 A C 1.630 179.290 177.584 0.128 0.000 2.009 328 A CA 2.309 54.440 52.037 0.157 0.000 1.041 328 A CB -2.036 17.034 19.000 0.116 0.000 0.525 328 A HN 0.686 nan 8.150 nan 0.000 0.450 329 G N -2.073 106.744 108.800 0.028 0.000 3.943 329 G HA2 0.485 4.446 3.960 0.001 0.000 0.275 329 G HA3 0.485 4.446 3.960 0.001 0.000 0.275 329 G C -0.466 174.325 174.900 -0.182 0.000 1.234 329 G CA -0.154 44.899 45.100 -0.078 0.000 1.522 329 G HN 0.385 nan 8.290 nan 0.000 0.636 330 Y N -0.391 119.931 120.300 0.038 0.000 2.485 330 Y HA 0.393 4.944 4.550 0.001 0.000 0.345 330 Y C -0.494 175.447 175.900 0.068 0.000 0.998 330 Y CA -1.252 56.875 58.100 0.045 0.000 1.059 330 Y CB 2.463 40.955 38.460 0.052 0.000 1.234 330 Y HN 0.119 nan 8.280 nan 0.000 0.461 331 D N 2.921 123.456 120.400 0.226 0.000 2.373 331 D HA 0.028 4.669 4.640 0.001 0.000 0.227 331 D C 0.803 177.174 176.300 0.119 0.000 1.091 331 D CA -0.780 53.286 54.000 0.110 0.000 0.840 331 D CB 0.464 41.263 40.800 -0.001 0.000 1.060 331 D HN 0.686 nan 8.370 nan 0.000 0.502 332 W N 4.857 126.207 121.300 0.082 0.000 2.305 332 W HA -0.265 4.395 4.660 0.001 0.000 0.308 332 W C 1.070 177.624 176.519 0.058 0.000 1.226 332 W CA 0.448 57.824 57.345 0.051 0.000 1.253 332 W CB -0.752 28.721 29.460 0.020 0.000 1.146 332 W HN 0.369 nan 8.180 nan 0.000 0.507 333 R N 0.894 120.869 120.500 -0.876 0.000 2.119 333 R HA -0.194 4.147 4.340 0.001 0.000 0.246 333 R C 1.971 178.133 176.300 -0.230 0.000 1.146 333 R CA 2.372 57.971 56.100 -0.836 0.000 0.962 333 R CB -0.651 29.124 30.300 -0.876 0.000 0.863 333 R HN 0.173 nan 8.270 nan 0.000 0.442 334 D N 0.393 120.738 120.400 -0.093 0.000 2.117 334 D HA -0.136 4.505 4.640 0.001 0.000 0.197 334 D C 1.962 178.360 176.300 0.164 0.000 0.987 334 D CA 1.256 55.292 54.000 0.061 0.000 0.829 334 D CB -0.084 40.778 40.800 0.103 0.000 0.961 334 D HN 0.245 nan 8.370 nan 0.000 0.460 335 I N 0.860 121.524 120.570 0.156 0.000 2.127 335 I HA -0.251 3.920 4.170 0.001 0.000 0.241 335 I C 2.594 178.849 176.117 0.230 0.000 1.075 335 I CA 0.801 62.209 61.300 0.181 0.000 1.334 335 I CB -0.604 37.463 38.000 0.111 0.000 1.040 335 I HN -0.115 nan 8.210 nan 0.000 0.405 336 V N 0.675 120.719 119.914 0.217 0.000 2.287 336 V HA -0.282 3.838 4.120 0.001 0.000 0.248 336 V C 2.601 178.794 176.094 0.165 0.000 1.053 336 V CA 2.335 64.763 62.300 0.213 0.000 1.027 336 V CB -0.758 31.235 31.823 0.283 0.000 0.646 336 V HN 0.391 nan 8.190 nan 0.000 0.447 337 S N -1.330 114.441 115.700 0.119 0.000 2.368 337 S HA -0.236 4.235 4.470 0.001 0.000 0.225 337 S C 1.857 176.521 174.600 0.107 0.000 1.030 337 S CA 1.826 60.070 58.200 0.074 0.000 0.999 337 S CB -0.524 62.696 63.200 0.032 0.000 0.844 337 S HN 0.652 nan 8.310 nan 0.000 0.459 338 Y N 2.339 122.719 120.300 0.134 0.000 2.165 338 Y HA -0.215 4.336 4.550 0.002 0.000 0.286 338 Y C 2.277 178.378 175.900 0.335 0.000 1.155 338 Y CA 1.319 59.584 58.100 0.275 0.000 1.164 338 Y CB -0.458 38.191 38.460 0.314 0.000 0.978 338 Y HN 0.029 nan 8.280 nan 0.000 0.513 339 V N -0.356 119.806 119.914 0.412 0.000 2.307 339 V HA -0.271 3.849 4.120 0.001 0.000 0.245 339 V C 2.206 178.455 176.094 0.258 0.000 1.045 339 V CA 1.897 64.440 62.300 0.405 0.000 1.024 339 V CB -0.711 31.262 31.823 0.250 0.000 0.651 339 V HN 0.456 nan 8.190 nan 0.000 0.449 340 I N 0.322 120.969 120.570 0.128 0.000 2.439 340 I HA -0.128 4.043 4.170 0.001 0.000 0.251 340 I C 1.845 177.936 176.117 -0.044 0.000 1.139 340 I CA 1.539 62.873 61.300 0.058 0.000 1.438 340 I CB -0.438 37.588 38.000 0.044 0.000 1.085 340 I HN 0.254 nan 8.210 nan 0.000 0.427 341 D N -0.520 119.785 120.400 -0.158 0.000 2.103 341 D HA -0.109 4.531 4.640 0.001 0.000 0.199 341 D C 2.020 177.978 176.300 -0.571 0.000 0.978 341 D CA 1.416 55.181 54.000 -0.391 0.000 0.829 341 D CB -0.275 40.178 40.800 -0.579 0.000 0.981 341 D HN 0.435 nan 8.370 nan 0.000 0.464 342 H N -1.654 117.177 119.070 -0.399 0.000 2.562 342 H HA 0.143 4.699 4.556 0.001 0.000 0.267 342 H C 0.792 175.627 175.328 -0.822 0.000 0.959 342 H CA 0.526 56.160 56.048 -0.691 0.000 1.204 342 H CB 0.307 29.400 29.762 -1.115 0.000 1.430 342 H HN 0.202 nan 8.280 nan 0.000 0.545 343 F N -0.093 119.858 119.950 0.001 0.000 2.798 343 F HA 0.184 4.712 4.527 0.001 0.000 0.328 343 F C 0.107 175.915 175.800 0.013 0.000 1.098 343 F CA -0.430 57.588 58.000 0.031 0.000 1.172 343 F CB 0.732 39.773 39.000 0.068 0.000 1.072 343 F HN -0.185 nan 8.300 nan 0.000 0.555 344 D N 1.474 121.940 120.400 0.111 0.000 2.945 344 D HA -0.192 4.449 4.640 0.001 0.000 0.225 344 D C -0.224 176.137 176.300 0.101 0.000 1.158 344 D CA 0.810 54.852 54.000 0.070 0.000 0.805 344 D CB -1.322 39.509 40.800 0.050 0.000 1.098 344 D HN 0.263 nan 8.370 nan 0.000 0.426 345 I N 0.584 121.238 120.570 0.139 0.000 2.404 345 I HA 0.212 4.383 4.170 0.001 0.000 0.293 345 I C 0.625 176.801 176.117 0.098 0.000 0.992 345 I CA -0.747 60.620 61.300 0.113 0.000 1.149 345 I CB 2.091 40.158 38.000 0.112 0.000 1.315 345 I HN -0.151 nan 8.210 nan 0.000 0.446 346 E N 7.536 127.784 120.200 0.080 0.000 2.197 346 E HA 0.649 4.999 4.350 0.001 0.000 0.281 346 E C -1.265 175.381 176.600 0.078 0.000 0.995 346 E CA -0.554 55.895 56.400 0.081 0.000 0.808 346 E CB 1.481 31.224 29.700 0.072 0.000 1.093 346 E HN 0.571 nan 8.360 nan 0.000 0.394 347 I N 0.272 120.895 120.570 0.089 0.000 3.006 347 I HA 0.508 4.679 4.170 0.001 0.000 0.306 347 I C -1.226 174.949 176.117 0.098 0.000 1.250 347 I CA -1.149 60.198 61.300 0.078 0.000 0.996 347 I CB 1.883 39.924 38.000 0.068 0.000 1.261 347 I HN 0.442 nan 8.210 nan 0.000 0.442 348 M N 1.826 121.468 119.600 0.069 0.000 2.826 348 M HA 0.827 5.308 4.480 0.001 0.000 0.288 348 M C 0.428 176.711 176.300 -0.028 0.000 1.141 348 M CA -0.163 55.177 55.300 0.066 0.000 0.816 348 M CB 1.685 34.303 32.600 0.030 0.000 1.704 348 M HN 0.897 nan 8.290 nan 0.000 0.497 349 G N -1.306 107.370 108.800 -0.206 0.000 3.122 349 G HA2 0.652 4.612 3.960 0.001 0.000 0.180 349 G HA3 0.652 4.612 3.960 0.001 0.000 0.180 349 G C -0.174 174.404 174.900 -0.537 0.000 1.279 349 G CA -0.499 44.190 45.100 -0.685 0.000 0.987 349 G HN 0.855 nan 8.290 nan 0.000 0.589 350 G N -1.555 106.836 108.800 -0.682 0.000 2.583 350 G HA2 0.466 4.427 3.960 0.001 0.000 0.275 350 G HA3 0.466 4.427 3.960 0.001 0.000 0.275 350 G C -0.794 173.931 174.900 -0.293 0.000 1.342 350 G CA -0.288 44.550 45.100 -0.438 0.000 1.030 350 G HN 0.896 nan 8.290 nan 0.000 0.520 351 L N -0.368 120.716 121.223 -0.232 0.000 2.795 351 L HA 0.487 4.828 4.340 0.001 0.000 0.260 351 L C 0.716 177.463 176.870 -0.205 0.000 0.935 351 L CA 0.591 55.323 54.840 -0.179 0.000 0.985 351 L CB 0.855 42.825 42.059 -0.148 0.000 1.433 351 L HN 1.506 nan 8.230 nan 0.000 0.447 352 G N 5.837 114.533 108.800 -0.173 0.000 2.561 352 G HA2 -0.306 3.655 3.960 0.001 0.000 0.289 352 G HA3 -0.306 3.655 3.960 0.001 0.000 0.289 352 G C -2.029 172.788 174.900 -0.139 0.000 1.169 352 G CA 0.275 45.274 45.100 -0.168 0.000 0.980 352 G HN 0.493 nan 8.290 nan 0.000 0.550 353 P HA -0.013 nan 4.420 nan 0.000 0.218 353 P C 2.000 179.229 177.300 -0.118 0.000 1.146 353 P CA 2.740 65.783 63.100 -0.095 0.000 0.813 353 P CB -0.163 31.495 31.700 -0.070 0.000 0.778 354 S N -3.230 112.361 115.700 -0.181 0.000 2.575 354 S HA 0.060 4.531 4.470 0.001 0.000 0.215 354 S C 0.704 175.128 174.600 -0.293 0.000 0.966 354 S CA -0.221 57.816 58.200 -0.272 0.000 0.911 354 S CB -1.340 61.639 63.200 -0.369 0.000 0.780 354 S HN -0.039 nan 8.310 nan 0.000 0.514 355 T N 2.764 117.183 114.554 -0.226 0.000 2.849 355 T HA 0.376 4.727 4.350 0.001 0.000 0.289 355 T C 1.471 176.021 174.700 -0.251 0.000 1.010 355 T CA 1.112 63.071 62.100 -0.234 0.000 1.161 355 T CB -0.071 68.729 68.868 -0.113 0.000 0.989 355 T HN 0.960 nan 8.240 nan 0.000 0.523 356 G N 3.369 111.889 108.800 -0.467 0.000 2.205 356 G HA2 -0.365 3.595 3.960 0.001 0.000 0.269 356 G HA3 -0.365 3.595 3.960 0.001 0.000 0.269 356 G C 1.005 175.733 174.900 -0.286 0.000 0.977 356 G CA 0.941 45.784 45.100 -0.428 0.000 0.652 356 G HN 0.723 nan 8.290 nan 0.000 0.539 357 K N -0.572 119.648 120.400 -0.298 0.000 2.284 357 K HA 0.413 4.734 4.320 0.001 0.000 0.198 357 K C 1.146 177.588 176.600 -0.264 0.000 1.048 357 K CA 1.209 57.373 56.287 -0.205 0.000 0.987 357 K CB 0.569 32.950 32.500 -0.197 0.000 0.800 357 K HN 0.800 nan 8.250 nan 0.000 0.486 358 V N -2.388 117.284 119.914 -0.404 0.000 3.165 358 V HA 0.523 4.643 4.120 0.001 0.000 0.309 358 V C -1.244 174.634 176.094 -0.360 0.000 1.267 358 V CA -1.335 60.749 62.300 -0.360 0.000 1.067 358 V CB 1.699 33.228 31.823 -0.491 0.000 1.082 358 V HN -0.123 nan 8.190 nan 0.000 0.451 359 L N 0.772 121.858 121.223 -0.229 0.000 2.362 359 L HA 0.727 5.068 4.340 0.001 0.000 0.271 359 L C -0.350 176.442 176.870 -0.131 0.000 1.002 359 L CA -0.715 54.030 54.840 -0.158 0.000 0.818 359 L CB 2.330 44.353 42.059 -0.059 0.000 1.298 359 L HN 0.664 nan 8.230 nan 0.000 0.420 360 R N 3.293 123.735 120.500 -0.096 0.000 2.437 360 R HA 0.656 4.997 4.340 0.001 0.000 0.310 360 R C -1.142 175.154 176.300 -0.007 0.000 0.955 360 R CA -0.583 55.483 56.100 -0.056 0.000 0.851 360 R CB 2.203 32.468 30.300 -0.058 0.000 1.161 360 R HN 0.494 nan 8.270 nan 0.000 0.446 361 I N 1.800 122.376 120.570 0.009 0.000 2.362 361 I HA 0.368 4.539 4.170 0.001 0.000 0.289 361 I C 0.521 176.666 176.117 0.046 0.000 0.994 361 I CA -0.700 60.618 61.300 0.029 0.000 1.158 361 I CB 2.088 40.106 38.000 0.029 0.000 1.315 361 I HN 0.661 nan 8.210 nan 0.000 0.451 362 G N 6.903 115.734 108.800 0.052 0.000 2.371 362 G HA2 0.705 4.666 3.960 0.001 0.000 0.326 362 G HA3 0.705 4.666 3.960 0.001 0.000 0.326 362 G C -0.858 174.084 174.900 0.071 0.000 1.127 362 G CA -0.485 44.653 45.100 0.063 0.000 0.885 362 G HN 0.479 nan 8.290 nan 0.000 0.477 363 L N 2.720 123.998 121.223 0.092 0.000 2.353 363 L HA 0.464 4.805 4.340 0.001 0.000 0.270 363 L C -0.799 176.172 176.870 0.167 0.000 1.003 363 L CA -0.408 54.492 54.840 0.100 0.000 0.862 363 L CB 1.173 43.291 42.059 0.098 0.000 1.221 363 L HN 0.236 nan 8.230 nan 0.000 0.430 364 L N 2.593 123.899 121.223 0.138 0.000 2.438 364 L HA 0.712 5.052 4.340 0.001 0.000 0.270 364 L C 0.954 177.942 176.870 0.197 0.000 0.972 364 L CA -0.572 54.397 54.840 0.216 0.000 0.831 364 L CB 1.758 43.895 42.059 0.132 0.000 1.273 364 L HN 0.703 nan 8.230 nan 0.000 0.405 365 G N 1.807 110.842 108.800 0.392 0.000 2.660 365 G HA2 -0.444 3.517 3.960 0.001 0.000 0.321 365 G HA3 -0.444 3.517 3.960 0.001 0.000 0.321 365 G C 1.202 176.122 174.900 0.033 0.000 1.246 365 G CA 0.995 46.220 45.100 0.208 0.000 1.000 365 G HN 1.142 nan 8.290 nan 0.000 0.550 366 C N -0.217 119.106 119.300 0.038 0.000 2.409 366 C HA 0.109 4.570 4.460 0.001 0.000 0.288 366 C C 2.216 177.207 174.990 0.002 0.000 1.395 366 C CA 1.663 60.688 59.018 0.011 0.000 1.792 366 C CB -1.379 26.375 27.740 0.024 0.000 1.847 366 C HN 0.556 nan 8.230 nan 0.000 0.534 367 N N 1.391 120.100 118.700 0.015 0.000 2.353 367 N HA 0.242 4.983 4.740 0.001 0.000 0.185 367 N C 0.677 176.184 175.510 -0.004 0.000 1.098 367 N CA 0.916 53.976 53.050 0.017 0.000 0.872 367 N CB 0.009 38.520 38.487 0.039 0.000 0.970 367 N HN 0.687 nan 8.380 nan 0.000 0.467 368 A N 1.049 123.834 122.820 -0.058 0.000 2.990 368 A HA 0.359 4.679 4.320 0.001 0.000 0.282 368 A C 0.426 177.946 177.584 -0.106 0.000 1.688 368 A CA -0.264 51.706 52.037 -0.113 0.000 1.391 368 A CB -0.930 17.864 19.000 -0.343 0.000 1.112 368 A HN 0.188 nan 8.150 nan 0.000 0.588 369 T N -2.593 111.942 114.554 -0.031 0.000 2.901 369 T HA 0.507 4.857 4.350 0.001 0.000 0.293 369 T C 0.832 175.563 174.700 0.050 0.000 1.084 369 T CA -0.806 61.285 62.100 -0.014 0.000 1.008 369 T CB 1.347 70.210 68.868 -0.008 0.000 1.170 369 T HN 0.396 nan 8.240 nan 0.000 0.509 370 R N 0.101 120.628 120.500 0.045 0.000 2.092 370 R HA -0.026 4.314 4.340 0.001 0.000 0.231 370 R C 2.035 178.455 176.300 0.200 0.000 1.119 370 R CA 1.423 57.622 56.100 0.165 0.000 0.970 370 R CB -0.255 29.968 30.300 -0.129 0.000 0.864 370 R HN 0.712 nan 8.270 nan 0.000 0.440 371 E N 0.533 120.787 120.200 0.089 0.000 2.049 371 E HA -0.179 4.172 4.350 0.001 0.000 0.198 371 E C 1.575 178.218 176.600 0.072 0.000 1.007 371 E CA 1.351 57.796 56.400 0.075 0.000 0.809 371 E CB -0.153 29.571 29.700 0.041 0.000 0.749 371 E HN 0.254 nan 8.360 nan 0.000 0.450 372 N N -0.186 118.549 118.700 0.058 0.000 2.396 372 N HA -0.078 4.663 4.740 0.001 0.000 0.180 372 N C 1.634 177.166 175.510 0.036 0.000 1.028 372 N CA 0.592 53.668 53.050 0.043 0.000 0.893 372 N CB 0.000 38.509 38.487 0.036 0.000 0.967 372 N HN 0.038 nan 8.380 nan 0.000 0.440 373 V N 1.330 121.282 119.914 0.065 0.000 2.515 373 V HA -0.154 3.967 4.120 0.001 0.000 0.250 373 V C 1.624 177.690 176.094 -0.047 0.000 1.058 373 V CA 1.396 63.704 62.300 0.014 0.000 1.064 373 V CB -0.354 31.500 31.823 0.052 0.000 0.675 373 V HN 0.126 nan 8.190 nan 0.000 0.461 374 D N 0.235 120.648 120.400 0.022 0.000 2.084 374 D HA -0.120 4.521 4.640 0.001 0.000 0.196 374 D C 2.438 178.720 176.300 -0.029 0.000 0.985 374 D CA 1.248 55.250 54.000 0.002 0.000 0.826 374 D CB -0.226 40.619 40.800 0.074 0.000 0.978 374 D HN 0.349 nan 8.370 nan 0.000 0.456 375 R N 0.245 120.740 120.500 -0.009 0.000 2.083 375 R HA -0.077 4.264 4.340 0.001 0.000 0.237 375 R C 2.319 178.559 176.300 -0.100 0.000 1.137 375 R CA 0.756 56.837 56.100 -0.031 0.000 0.951 375 R CB -0.716 29.591 30.300 0.012 0.000 0.851 375 R HN 0.067 nan 8.270 nan 0.000 0.434 376 V N 0.737 120.606 119.914 -0.075 0.000 2.759 376 V HA -0.181 3.940 4.120 0.001 0.000 0.256 376 V C 1.688 177.701 176.094 -0.134 0.000 1.080 376 V CA 1.880 64.121 62.300 -0.100 0.000 1.101 376 V CB -0.131 31.665 31.823 -0.046 0.000 0.698 376 V HN 0.410 nan 8.190 nan 0.000 0.477 377 T N -0.184 114.295 114.554 -0.126 0.000 2.770 377 T HA -0.130 4.221 4.350 0.001 0.000 0.263 377 T C 1.629 176.240 174.700 -0.149 0.000 1.039 377 T CA 1.665 63.685 62.100 -0.132 0.000 1.142 377 T CB -0.145 68.640 68.868 -0.139 0.000 0.868 377 T HN 0.577 nan 8.240 nan 0.000 0.435 378 E N 0.621 120.729 120.200 -0.153 0.000 2.418 378 E HA 0.082 4.433 4.350 0.001 0.000 0.197 378 E C 2.165 178.562 176.600 -0.338 0.000 1.026 378 E CA 0.489 56.796 56.400 -0.154 0.000 0.862 378 E CB -0.027 29.629 29.700 -0.074 0.000 0.799 378 E HN 0.436 nan 8.360 nan 0.000 0.518 379 A N 0.659 123.157 122.820 -0.536 0.000 1.861 379 A HA -0.048 4.272 4.320 0.001 0.000 0.212 379 A C 2.063 179.410 177.584 -0.394 0.000 1.199 379 A CA 0.518 51.922 52.037 -1.055 0.000 0.613 379 A CB -0.419 18.076 19.000 -0.840 0.000 0.846 379 A HN 0.131 nan 8.150 nan 0.000 0.446 380 L N -0.583 120.509 121.223 -0.218 0.000 2.012 380 L HA -0.213 4.127 4.340 0.001 0.000 0.210 380 L C 2.842 179.644 176.870 -0.114 0.000 1.073 380 L CA 1.829 56.602 54.840 -0.113 0.000 0.748 380 L CB -0.492 41.505 42.059 -0.104 0.000 0.891 380 L HN 0.500 nan 8.230 nan 0.000 0.431 381 R N 0.446 120.876 120.500 -0.118 0.000 2.097 381 R HA -0.256 4.085 4.340 0.001 0.000 0.236 381 R C 2.284 178.528 176.300 -0.094 0.000 1.135 381 R CA 1.941 57.982 56.100 -0.098 0.000 0.934 381 R CB -0.457 29.797 30.300 -0.076 0.000 0.846 381 R HN 0.341 nan 8.270 nan 0.000 0.431 382 A N 0.942 123.750 122.820 -0.020 0.000 1.884 382 A HA -0.253 4.068 4.320 0.001 0.000 0.219 382 A C 2.478 179.992 177.584 -0.116 0.000 1.197 382 A CA 2.559 54.659 52.037 0.104 0.000 0.637 382 A CB -1.176 18.162 19.000 0.563 0.000 0.827 382 A HN 0.658 nan 8.150 nan 0.000 0.450 383 A N -0.894 121.854 122.820 -0.120 0.000 1.873 383 A HA -0.144 4.177 4.320 0.001 0.000 0.218 383 A C 2.036 179.425 177.584 -0.324 0.000 1.193 383 A CA 1.988 53.751 52.037 -0.458 0.000 0.629 383 A CB -0.791 18.177 19.000 -0.053 0.000 0.826 383 A HN 0.510 nan 8.150 nan 0.000 0.447 384 L N 0.434 121.530 121.223 -0.212 0.000 2.137 384 L HA -0.264 4.077 4.340 0.001 0.000 0.213 384 L C 2.808 179.660 176.870 -0.030 0.000 1.085 384 L CA 2.586 57.340 54.840 -0.143 0.000 0.760 384 L CB -0.802 41.165 42.059 -0.154 0.000 0.893 384 L HN 0.794 nan 8.230 nan 0.000 0.434 385 Q N -3.190 116.476 119.800 -0.223 0.000 2.376 385 Q HA -0.055 4.285 4.340 0.001 0.000 0.206 385 Q C 1.227 176.995 176.000 -0.387 0.000 0.921 385 Q CA 0.754 56.373 55.803 -0.307 0.000 0.911 385 Q CB -0.124 28.363 28.738 -0.419 0.000 1.032 385 Q HN 0.530 nan 8.270 nan 0.000 0.510 386 H N -0.414 118.562 119.070 -0.157 0.000 2.740 386 H HA 0.268 4.825 4.556 0.001 0.000 0.265 386 H C 0.227 175.479 175.328 -0.127 0.000 0.978 386 H CA -0.517 55.432 56.048 -0.164 0.000 1.198 386 H CB 0.491 30.114 29.762 -0.233 0.000 1.467 386 H HN 0.161 nan 8.280 nan 0.000 0.511 387 C N 3.711 122.997 119.300 -0.023 0.000 2.452 387 C HA 0.280 4.741 4.460 0.001 0.000 0.379 387 C C -1.563 173.474 174.990 0.079 0.000 1.275 387 C CA -1.290 57.777 59.018 0.082 0.000 2.056 387 C CB 1.080 28.912 27.740 0.153 0.000 2.506 387 C HN 0.233 nan 8.230 nan 0.000 0.560 388 P HA 0.252 nan 4.420 nan 0.000 0.269 388 P C -0.417 176.771 177.300 -0.187 0.000 1.185 388 P CA 0.884 63.959 63.100 -0.041 0.000 0.769 388 P CB 0.274 31.968 31.700 -0.010 0.000 0.809 389 K N -0.128 120.124 120.400 -0.247 0.000 2.619 389 K HA 0.569 4.890 4.320 0.001 0.000 0.251 389 K C 0.552 177.008 176.600 -0.240 0.000 0.987 389 K CA -0.156 55.874 56.287 -0.428 0.000 0.844 389 K CB 0.386 32.498 32.500 -0.646 0.000 1.237 389 K HN 0.349 nan 8.250 nan 0.000 0.447 390 K N 0.568 120.855 120.400 -0.188 0.000 2.007 390 K HA 0.519 4.839 4.320 0.001 0.000 0.206 390 K C 1.392 177.934 176.600 -0.098 0.000 1.047 390 K CA 2.736 58.959 56.287 -0.106 0.000 0.937 390 K CB -0.591 31.869 32.500 -0.067 0.000 0.718 390 K HN 2.002 nan 8.250 nan 0.000 0.438 391 K N 0.000 120.336 120.400 -0.107 0.000 2.780 391 K HA 0.000 4.321 4.320 0.001 0.000 0.191 391 K CA 0.000 nan 56.287 nan 0.000 0.838 391 K CB 0.000 nan 32.500 nan 0.000 1.064 391 K HN 0.000 nan 8.250 nan 0.000 0.543