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 3b96_1_A DATA FIRST_RESID 29 DATA SEQUENCE ESKSFAVGMF KGQLTTDQVF PYPSVLNEEQ TQFLKELVEP VSRFFEEVND DATA SEQUENCE PAKNDALEMV EETTWQGLKE LGAFGLQVPS ELGGVGLCNT QYARLVEIVG DATA SEQUENCE MHDLGVGITL GAHQSIGFKG ILLFGTKAQK EKYLPKLASG ETVAAFCLTE DATA SEQUENCE PSSGSDAASI RTSAVPSPCG KYYTLNGSKL WISNGGLADI FTVFAKTPVT DATA SEQUENCE DPATGAVKEK ITAFVVERGF GGITHGPPEK KMGIKASNTA EVFFDGVRVP DATA SEQUENCE SENVLGEVGS GFKVAMHILN NGRFGMAAAL AGTMRGIIAK AVDHATNRTQ DATA SEQUENCE FGEKIHNFGL IQEKLARMVM LQYVTESMAY MVSANMDQGA TDFQIEAAIS DATA SEQUENCE KIFGSEAAWK VTDECIQIMG GMGFMKEPGV ERVLRDLRIF RIFEGTNDIL DATA SEQUENCE RLFVALQGCM DKGKELSXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE LSLSGLVHPE LSRSGELAVR ALEQFATVVE AKLIKHKKGI VNEQFLLQRL DATA SEQUENCE ADGAIDLYAM VVVLSRASRS LSEGHPTAQH EKMLCDTWCI EAAARIREGM DATA SEQUENCE AALQSDPWQQ ELYRNFKSIS KALVERGGVV TSNPLGF 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 29 E HA 0.000 nan 4.350 nan 0.000 0.291 29 E C 0.000 176.614 176.600 0.023 0.000 1.382 29 E CA 0.000 56.411 56.400 0.018 0.000 0.976 29 E CB 0.000 29.712 29.700 0.020 0.000 0.812 30 S N 1.436 117.148 115.700 0.021 0.000 2.549 30 S HA 0.057 4.527 4.470 -0.001 0.000 0.286 30 S C 0.862 175.488 174.600 0.044 0.000 1.314 30 S CA -0.018 58.198 58.200 0.027 0.000 1.062 30 S CB 0.319 63.528 63.200 0.015 0.000 0.865 30 S HN 0.299 nan 8.310 nan 0.000 0.498 31 K N 2.547 122.981 120.400 0.057 0.000 2.404 31 K HA 0.080 4.400 4.320 -0.001 0.000 0.194 31 K C 0.704 177.368 176.600 0.108 0.000 1.023 31 K CA 0.067 56.402 56.287 0.079 0.000 1.094 31 K CB -0.272 32.274 32.500 0.076 0.000 0.841 31 K HN 0.529 nan 8.250 nan 0.000 0.523 32 S N 1.053 116.810 115.700 0.095 0.000 2.488 32 S HA 0.032 4.501 4.470 -0.001 0.000 0.278 32 S C 1.061 175.749 174.600 0.146 0.000 1.259 32 S CA -0.547 57.724 58.200 0.118 0.000 1.061 32 S CB 0.017 63.256 63.200 0.065 0.000 0.910 32 S HN 0.256 nan 8.310 nan 0.000 0.491 33 F N 5.445 125.452 119.950 0.094 0.000 2.091 33 F HA -0.106 4.420 4.527 -0.001 0.000 0.299 33 F C 2.194 178.068 175.800 0.123 0.000 1.103 33 F CA 2.111 60.191 58.000 0.132 0.000 1.228 33 F CB -0.713 38.410 39.000 0.204 0.000 0.984 33 F HN 0.757 nan 8.300 nan 0.000 0.477 34 A N -0.379 122.547 122.820 0.176 0.000 1.930 34 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 34 A C 2.281 179.949 177.584 0.140 0.000 1.175 34 A CA 1.719 53.837 52.037 0.136 0.000 0.627 34 A CB -1.322 17.713 19.000 0.059 0.000 0.815 34 A HN 0.276 nan 8.150 nan 0.000 0.443 35 V N 0.035 119.977 119.914 0.046 0.000 2.295 35 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 35 V C 2.841 178.964 176.094 0.048 0.000 1.049 35 V CA 2.057 64.368 62.300 0.019 0.000 1.024 35 V CB -1.512 30.300 31.823 -0.018 0.000 0.648 35 V HN 0.600 nan 8.190 nan 0.000 0.447 36 G N 0.550 109.339 108.800 -0.019 0.000 2.440 36 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.218 36 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.218 36 G C 1.605 176.465 174.900 -0.067 0.000 1.154 36 G CA 1.339 46.406 45.100 -0.055 0.000 0.767 36 G HN 0.616 nan 8.290 nan 0.000 0.552 37 M N -1.488 118.010 119.600 -0.170 0.000 2.296 37 M HA 0.227 4.706 4.480 -0.001 0.000 0.265 37 M C 2.191 178.566 176.300 0.125 0.000 1.064 37 M CA 1.258 56.473 55.300 -0.141 0.000 1.109 37 M CB -0.573 31.819 32.600 -0.347 0.000 1.396 37 M HN 0.066 nan 8.290 nan 0.000 0.430 38 F N 1.850 121.869 119.950 0.115 0.000 2.293 38 F HA -0.016 4.510 4.527 -0.001 0.000 0.300 38 F C 1.944 177.750 175.800 0.011 0.000 1.086 38 F CA 1.282 59.360 58.000 0.131 0.000 1.375 38 F CB -0.079 38.969 39.000 0.079 0.000 1.045 38 F HN 0.164 nan 8.300 nan 0.000 0.516 39 K N -0.269 120.228 120.400 0.163 0.000 2.387 39 K HA 0.231 4.551 4.320 -0.001 0.000 0.198 39 K C 1.272 177.894 176.600 0.037 0.000 1.022 39 K CA 0.584 56.915 56.287 0.073 0.000 1.128 39 K CB 0.184 32.715 32.500 0.051 0.000 0.853 39 K HN 0.255 nan 8.250 nan 0.000 0.523 40 G N 2.132 110.954 108.800 0.037 0.000 2.160 40 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.251 40 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.251 40 G C -0.242 174.664 174.900 0.011 0.000 1.008 40 G CA 0.244 45.359 45.100 0.024 0.000 0.724 40 G HN 0.379 nan 8.290 nan 0.000 0.514 41 Q N -1.290 118.506 119.800 -0.008 0.000 2.226 41 Q HA 0.695 5.034 4.340 -0.001 0.000 0.256 41 Q C -0.367 175.602 176.000 -0.053 0.000 0.962 41 Q CA -1.012 54.781 55.803 -0.016 0.000 0.887 41 Q CB 1.719 30.452 28.738 -0.009 0.000 1.282 41 Q HN 0.129 nan 8.270 nan 0.000 0.449 42 L N 2.077 123.300 121.223 -0.000 0.000 2.321 42 L HA 0.289 4.628 4.340 -0.001 0.000 0.272 42 L C -0.872 176.053 176.870 0.091 0.000 1.050 42 L CA 0.259 55.129 54.840 0.051 0.000 0.893 42 L CB 0.708 42.826 42.059 0.099 0.000 1.272 42 L HN 0.557 nan 8.230 nan 0.000 0.435 43 T N 1.384 115.984 114.554 0.076 0.000 2.781 43 T HA 0.289 4.638 4.350 -0.001 0.000 0.305 43 T C 1.114 176.001 174.700 0.312 0.000 1.001 43 T CA -0.109 62.076 62.100 0.141 0.000 0.950 43 T CB 0.554 69.468 68.868 0.078 0.000 0.955 43 T HN 0.634 nan 8.240 nan 0.000 0.471 44 T N -1.096 113.630 114.554 0.286 0.000 3.044 44 T HA 0.124 4.473 4.350 -0.001 0.000 0.260 44 T C 0.958 175.821 174.700 0.272 0.000 1.019 44 T CA -0.290 62.035 62.100 0.376 0.000 0.921 44 T CB -0.050 69.041 68.868 0.371 0.000 1.053 44 T HN 0.286 nan 8.240 nan 0.000 0.533 45 D N 2.506 123.021 120.400 0.190 0.000 2.133 45 D HA -0.134 4.506 4.640 -0.001 0.000 0.195 45 D C 1.905 178.267 176.300 0.102 0.000 0.997 45 D CA 1.348 55.425 54.000 0.128 0.000 0.840 45 D CB -0.135 40.726 40.800 0.100 0.000 0.947 45 D HN 0.500 nan 8.370 nan 0.000 0.452 46 Q N -0.464 119.406 119.800 0.117 0.000 2.246 46 Q HA 0.163 4.503 4.340 -0.001 0.000 0.202 46 Q C 0.792 176.794 176.000 0.003 0.000 0.883 46 Q CA -0.069 55.771 55.803 0.062 0.000 0.952 46 Q CB 1.114 29.912 28.738 0.100 0.000 1.078 46 Q HN 0.195 nan 8.270 nan 0.000 0.493 47 V N -1.232 118.688 119.914 0.009 0.000 3.029 47 V HA 0.187 4.306 4.120 -0.001 0.000 0.230 47 V C -0.044 175.853 176.094 -0.329 0.000 1.254 47 V CA 0.554 62.739 62.300 -0.191 0.000 1.276 47 V CB 0.525 32.216 31.823 -0.220 0.000 1.080 47 V HN 0.063 nan 8.190 nan 0.000 0.495 48 F N 1.913 121.856 119.950 -0.013 0.000 2.508 48 F HA 0.668 5.195 4.527 -0.001 0.000 0.325 48 F C -2.214 173.595 175.800 0.015 0.000 1.090 48 F CA -2.462 55.544 58.000 0.010 0.000 0.945 48 F CB 1.258 40.276 39.000 0.030 0.000 1.156 48 F HN -0.002 nan 8.300 nan 0.000 0.463 49 P HA 0.031 nan 4.420 nan 0.000 0.276 49 P C -1.036 176.293 177.300 0.048 0.000 1.252 49 P CA -0.363 62.846 63.100 0.181 0.000 0.802 49 P CB 0.598 32.387 31.700 0.147 0.000 1.035 50 Y N 2.666 122.912 120.300 -0.090 0.000 2.729 50 Y HA 0.038 4.587 4.550 -0.001 0.000 0.331 50 Y C -1.649 174.197 175.900 -0.089 0.000 1.208 50 Y CA -1.042 56.966 58.100 -0.154 0.000 1.521 50 Y CB -0.386 37.966 38.460 -0.181 0.000 1.233 50 Y HN 0.265 nan 8.280 nan 0.000 0.539 51 P HA 0.058 nan 4.420 nan 0.000 0.268 51 P C -1.288 175.986 177.300 -0.043 0.000 1.205 51 P CA 0.049 63.044 63.100 -0.176 0.000 0.771 51 P CB 0.903 32.447 31.700 -0.259 0.000 0.858 52 S N 1.187 116.886 115.700 -0.003 0.000 2.519 52 S HA 0.354 4.824 4.470 -0.001 0.000 0.309 52 S C 0.967 175.568 174.600 0.002 0.000 1.100 52 S CA -0.615 57.598 58.200 0.023 0.000 1.059 52 S CB 1.572 64.794 63.200 0.037 0.000 1.008 52 S HN 0.445 nan 8.310 nan 0.000 0.478 53 V N 0.668 120.585 119.914 0.005 0.000 3.484 53 V HA 0.449 4.568 4.120 -0.001 0.000 0.252 53 V C 0.117 176.214 176.094 0.006 0.000 1.282 53 V CA 0.105 62.400 62.300 -0.009 0.000 1.104 53 V CB -0.464 31.337 31.823 -0.036 0.000 0.868 53 V HN 0.677 nan 8.190 nan 0.000 0.457 54 L N 3.945 125.183 121.223 0.025 0.000 2.367 54 L HA 0.360 4.699 4.340 -0.001 0.000 0.275 54 L C 0.459 177.345 176.870 0.028 0.000 1.129 54 L CA -0.131 54.729 54.840 0.033 0.000 0.839 54 L CB 0.511 42.603 42.059 0.055 0.000 1.133 54 L HN 0.590 nan 8.230 nan 0.000 0.453 55 N N 1.351 120.064 118.700 0.022 0.000 2.317 55 N HA -0.008 4.731 4.740 -0.001 0.000 0.245 55 N C 0.523 176.052 175.510 0.031 0.000 1.294 55 N CA -0.435 52.628 53.050 0.020 0.000 0.924 55 N CB 0.559 39.052 38.487 0.010 0.000 1.186 55 N HN 0.509 nan 8.380 nan 0.000 0.495 56 E N -0.548 119.669 120.200 0.028 0.000 2.085 56 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 56 E C 1.217 177.845 176.600 0.047 0.000 0.994 56 E CA 1.542 57.963 56.400 0.035 0.000 0.801 56 E CB -0.059 29.658 29.700 0.028 0.000 0.743 56 E HN 0.668 nan 8.360 nan 0.000 0.453 57 E N 0.485 120.710 120.200 0.041 0.000 2.106 57 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 57 E C 2.022 178.676 176.600 0.090 0.000 0.984 57 E CA 0.955 57.388 56.400 0.054 0.000 0.806 57 E CB -0.015 29.698 29.700 0.021 0.000 0.750 57 E HN 0.242 nan 8.360 nan 0.000 0.458 58 Q N -0.150 119.692 119.800 0.070 0.000 2.124 58 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 58 Q C 2.057 178.147 176.000 0.149 0.000 0.977 58 Q CA 1.652 57.519 55.803 0.107 0.000 0.850 58 Q CB -0.044 28.733 28.738 0.064 0.000 0.901 58 Q HN 0.264 nan 8.270 nan 0.000 0.429 59 T N 0.481 115.097 114.554 0.104 0.000 2.701 59 T HA -0.202 4.148 4.350 -0.001 0.000 0.263 59 T C 1.731 176.490 174.700 0.098 0.000 1.040 59 T CA 1.487 63.642 62.100 0.091 0.000 1.147 59 T CB -0.202 68.704 68.868 0.063 0.000 0.865 59 T HN 0.168 nan 8.240 nan 0.000 0.426 60 Q N 0.365 120.226 119.800 0.101 0.000 2.084 60 Q HA -0.054 4.286 4.340 -0.001 0.000 0.202 60 Q C 1.863 177.938 176.000 0.125 0.000 0.978 60 Q CA 1.498 57.358 55.803 0.095 0.000 0.844 60 Q CB -0.752 28.039 28.738 0.088 0.000 0.898 60 Q HN 0.525 nan 8.270 nan 0.000 0.426 61 F N -0.184 119.781 119.950 0.024 0.000 2.095 61 F HA -0.198 4.328 4.527 -0.001 0.000 0.298 61 F C 1.774 177.593 175.800 0.032 0.000 1.104 61 F CA 1.388 59.404 58.000 0.026 0.000 1.232 61 F CB -0.539 38.476 39.000 0.026 0.000 0.987 61 F HN 0.283 nan 8.300 nan 0.000 0.475 62 L N 0.902 122.197 121.223 0.119 0.000 2.017 62 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 62 L C 2.274 179.127 176.870 -0.028 0.000 1.073 62 L CA 1.899 56.758 54.840 0.033 0.000 0.745 62 L CB -0.962 41.160 42.059 0.106 0.000 0.894 62 L HN 0.060 nan 8.230 nan 0.000 0.432 63 K N -0.314 120.086 120.400 -0.000 0.000 2.074 63 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 63 K C 1.717 178.287 176.600 -0.050 0.000 1.048 63 K CA 1.851 58.131 56.287 -0.011 0.000 0.926 63 K CB -0.249 32.256 32.500 0.008 0.000 0.713 63 K HN 0.519 nan 8.250 nan 0.000 0.444 64 E N 0.415 120.555 120.200 -0.100 0.000 2.482 64 E HA -0.090 4.259 4.350 -0.001 0.000 0.196 64 E C 1.820 178.311 176.600 -0.181 0.000 1.047 64 E CA 0.593 56.915 56.400 -0.130 0.000 0.869 64 E CB 0.088 29.696 29.700 -0.153 0.000 0.836 64 E HN 0.354 nan 8.360 nan 0.000 0.520 65 L N 0.186 121.280 121.223 -0.216 0.000 2.253 65 L HA -0.028 4.312 4.340 -0.001 0.000 0.205 65 L C 2.373 179.202 176.870 -0.068 0.000 1.078 65 L CA 0.170 54.905 54.840 -0.175 0.000 0.805 65 L CB 0.013 41.942 42.059 -0.216 0.000 0.963 65 L HN -0.070 nan 8.230 nan 0.000 0.459 66 V N 0.001 119.890 119.914 -0.042 0.000 2.392 66 V HA -0.290 3.830 4.120 -0.001 0.000 0.249 66 V C 2.482 178.587 176.094 0.019 0.000 1.059 66 V CA 1.778 64.079 62.300 0.002 0.000 1.051 66 V CB -0.259 31.572 31.823 0.012 0.000 0.658 66 V HN 0.384 nan 8.190 nan 0.000 0.455 67 E N -0.002 120.200 120.200 0.003 0.000 2.015 67 E HA -0.116 4.234 4.350 -0.001 0.000 0.191 67 E C 0.036 176.655 176.600 0.032 0.000 0.991 67 E CA 1.843 58.253 56.400 0.017 0.000 0.802 67 E CB -1.331 28.371 29.700 0.003 0.000 0.759 67 E HN 0.480 nan 8.360 nan 0.000 0.447 68 P HA -0.119 nan 4.420 nan 0.000 0.217 68 P C 1.495 178.844 177.300 0.083 0.000 1.150 68 P CA 1.062 64.183 63.100 0.035 0.000 0.832 68 P CB 0.047 31.745 31.700 -0.004 0.000 0.787 69 V N 0.467 120.428 119.914 0.078 0.000 2.343 69 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 69 V C 2.737 178.998 176.094 0.280 0.000 1.051 69 V CA 2.333 64.734 62.300 0.168 0.000 1.036 69 V CB -1.463 30.436 31.823 0.126 0.000 0.654 69 V HN 0.165 nan 8.190 nan 0.000 0.451 70 S N -0.469 115.333 115.700 0.169 0.000 2.356 70 S HA -0.189 4.280 4.470 -0.001 0.000 0.223 70 S C 2.091 176.755 174.600 0.106 0.000 1.032 70 S CA 1.441 59.728 58.200 0.146 0.000 1.005 70 S CB -0.339 62.927 63.200 0.110 0.000 0.867 70 S HN 0.504 nan 8.310 nan 0.000 0.449 71 R N -0.104 120.450 120.500 0.089 0.000 2.103 71 R HA -0.127 4.213 4.340 -0.001 0.000 0.242 71 R C 2.098 178.419 176.300 0.035 0.000 1.142 71 R CA 1.641 57.772 56.100 0.052 0.000 0.960 71 R CB -0.544 29.784 30.300 0.047 0.000 0.858 71 R HN 0.430 nan 8.270 nan 0.000 0.439 72 F N 0.445 120.355 119.950 -0.066 0.000 2.102 72 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 72 F C 1.742 177.369 175.800 -0.288 0.000 1.105 72 F CA 1.489 59.383 58.000 -0.177 0.000 1.239 72 F CB -0.215 38.647 39.000 -0.229 0.000 0.991 72 F HN -0.138 nan 8.300 nan 0.000 0.474 73 F N 0.794 120.686 119.950 -0.095 0.000 2.259 73 F HA -0.076 4.450 4.527 -0.001 0.000 0.298 73 F C 2.304 177.841 175.800 -0.438 0.000 1.088 73 F CA 1.455 59.255 58.000 -0.333 0.000 1.358 73 F CB -0.617 38.072 39.000 -0.519 0.000 1.040 73 F HN 0.001 nan 8.300 nan 0.000 0.505 74 E N -0.197 119.882 120.200 -0.201 0.000 2.072 74 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 74 E C 1.734 178.271 176.600 -0.104 0.000 0.985 74 E CA 1.510 57.852 56.400 -0.097 0.000 0.801 74 E CB -0.084 29.607 29.700 -0.016 0.000 0.750 74 E HN 0.494 nan 8.360 nan 0.000 0.452 75 E N -0.784 119.315 120.200 -0.170 0.000 2.399 75 E HA 0.029 4.378 4.350 -0.001 0.000 0.205 75 E C 1.659 178.110 176.600 -0.248 0.000 0.906 75 E CA 0.109 56.413 56.400 -0.160 0.000 0.998 75 E CB 0.966 30.599 29.700 -0.112 0.000 1.002 75 E HN -0.010 nan 8.360 nan 0.000 0.501 76 V N 0.721 120.357 119.914 -0.463 0.000 2.599 76 V HA 0.027 4.146 4.120 -0.001 0.000 0.237 76 V C 0.820 176.593 176.094 -0.535 0.000 1.081 76 V CA 0.159 62.102 62.300 -0.595 0.000 1.107 76 V CB -0.240 30.934 31.823 -1.082 0.000 0.808 76 V HN 0.124 nan 8.190 nan 0.000 0.486 77 N N 1.547 119.841 118.700 -0.677 0.000 2.492 77 N HA 0.020 4.760 4.740 -0.001 0.000 0.260 77 N C -0.786 174.642 175.510 -0.137 0.000 1.215 77 N CA 0.373 53.211 53.050 -0.353 0.000 0.923 77 N CB 0.439 38.735 38.487 -0.319 0.000 1.092 77 N HN 0.279 nan 8.380 nan 0.000 0.448 78 D N 3.402 123.774 120.400 -0.048 0.000 2.440 78 D HA 0.271 4.910 4.640 -0.001 0.000 0.252 78 D C -1.993 174.338 176.300 0.051 0.000 1.180 78 D CA -1.946 52.056 54.000 0.003 0.000 0.894 78 D CB 1.558 42.351 40.800 -0.012 0.000 1.111 78 D HN 0.366 nan 8.370 nan 0.000 0.544 79 P HA -0.109 nan 4.420 nan 0.000 0.217 79 P C 1.144 178.485 177.300 0.068 0.000 1.150 79 P CA 0.831 63.994 63.100 0.104 0.000 0.832 79 P CB 0.340 32.115 31.700 0.125 0.000 0.787 80 A N 0.280 123.129 122.820 0.047 0.000 1.930 80 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 80 A C 2.313 179.912 177.584 0.025 0.000 1.175 80 A CA 1.438 53.492 52.037 0.029 0.000 0.627 80 A CB -0.942 18.069 19.000 0.018 0.000 0.815 80 A HN -0.002 nan 8.150 nan 0.000 0.443 81 K N 0.263 120.677 120.400 0.025 0.000 2.026 81 K HA -0.118 4.202 4.320 -0.001 0.000 0.208 81 K C 1.714 178.331 176.600 0.028 0.000 1.048 81 K CA 1.451 57.750 56.287 0.020 0.000 0.929 81 K CB -0.520 31.987 32.500 0.013 0.000 0.713 81 K HN 0.486 nan 8.250 nan 0.000 0.439 82 N N 1.453 120.180 118.700 0.044 0.000 2.104 82 N HA -0.188 4.551 4.740 -0.001 0.000 0.190 82 N C 1.577 177.114 175.510 0.046 0.000 1.024 82 N CA 1.478 54.560 53.050 0.055 0.000 0.853 82 N CB -0.557 37.984 38.487 0.090 0.000 1.008 82 N HN 0.330 nan 8.380 nan 0.000 0.424 83 D N 0.462 120.891 120.400 0.047 0.000 2.097 83 D HA -0.055 4.585 4.640 -0.001 0.000 0.195 83 D C 1.802 178.116 176.300 0.023 0.000 0.989 83 D CA 1.505 55.528 54.000 0.038 0.000 0.827 83 D CB -0.102 40.719 40.800 0.035 0.000 0.966 83 D HN 0.240 nan 8.370 nan 0.000 0.456 84 A N 0.084 122.914 122.820 0.017 0.000 1.902 84 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 84 A C 2.365 179.955 177.584 0.009 0.000 1.181 84 A CA 1.104 53.146 52.037 0.010 0.000 0.623 84 A CB -0.834 18.170 19.000 0.006 0.000 0.818 84 A HN 0.388 nan 8.150 nan 0.000 0.443 85 L N -0.984 120.246 121.223 0.011 0.000 2.376 85 L HA -0.056 4.283 4.340 -0.001 0.000 0.219 85 L C 0.267 177.140 176.870 0.005 0.000 1.133 85 L CA 0.772 55.616 54.840 0.007 0.000 0.816 85 L CB -0.643 41.419 42.059 0.005 0.000 0.933 85 L HN 0.509 nan 8.230 nan 0.000 0.449 86 E N 0.456 120.663 120.200 0.012 0.000 2.476 86 E HA -0.247 4.102 4.350 -0.001 0.000 0.251 86 E C -0.161 176.439 176.600 -0.000 0.000 1.130 86 E CA 0.752 57.160 56.400 0.013 0.000 0.736 86 E CB -1.686 28.022 29.700 0.014 0.000 1.298 86 E HN 0.643 nan 8.360 nan 0.000 0.400 87 M N -4.385 115.213 119.600 -0.003 0.000 3.012 87 M HA 0.438 4.917 4.480 -0.001 0.000 0.272 87 M C -0.870 175.426 176.300 -0.006 0.000 1.187 87 M CA -1.172 54.107 55.300 -0.034 0.000 0.813 87 M CB 1.333 33.883 32.600 -0.083 0.000 1.626 87 M HN -0.185 nan 8.290 nan 0.000 0.507 88 V N 1.702 121.604 119.914 -0.019 0.000 2.488 88 V HA 0.184 4.303 4.120 -0.001 0.000 0.277 88 V C 0.267 176.400 176.094 0.064 0.000 1.046 88 V CA -0.205 62.149 62.300 0.089 0.000 0.986 88 V CB 0.725 32.711 31.823 0.273 0.000 0.989 88 V HN 0.764 nan 8.190 nan 0.000 0.475 89 E N 2.948 123.198 120.200 0.084 0.000 2.502 89 E HA -0.096 4.253 4.350 -0.001 0.000 0.261 89 E C 0.891 177.563 176.600 0.120 0.000 0.974 89 E CA 0.045 56.484 56.400 0.066 0.000 0.936 89 E CB 0.753 30.481 29.700 0.047 0.000 0.926 89 E HN 0.722 nan 8.360 nan 0.000 0.459 90 E N 2.187 122.439 120.200 0.087 0.000 2.085 90 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 90 E C 1.467 178.178 176.600 0.185 0.000 0.994 90 E CA 2.096 58.578 56.400 0.137 0.000 0.801 90 E CB -0.047 29.697 29.700 0.074 0.000 0.743 90 E HN 0.534 nan 8.360 nan 0.000 0.453 91 T N -0.461 114.165 114.554 0.120 0.000 2.746 91 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 91 T C 1.803 176.606 174.700 0.171 0.000 1.039 91 T CA 1.772 63.939 62.100 0.111 0.000 1.142 91 T CB -0.593 68.304 68.868 0.048 0.000 0.866 91 T HN 0.256 nan 8.240 nan 0.000 0.444 92 T N 0.923 115.582 114.554 0.175 0.000 2.708 92 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 92 T C 1.522 176.458 174.700 0.392 0.000 1.037 92 T CA 0.912 63.172 62.100 0.268 0.000 1.146 92 T CB -0.350 68.609 68.868 0.152 0.000 0.865 92 T HN 0.521 nan 8.240 nan 0.000 0.435 93 W N 1.937 123.328 121.300 0.150 0.000 2.332 93 W HA -0.190 4.469 4.660 -0.001 0.000 0.321 93 W C 2.154 178.748 176.519 0.124 0.000 1.219 93 W CA 1.217 58.658 57.345 0.159 0.000 1.277 93 W CB -0.231 29.293 29.460 0.107 0.000 1.161 93 W HN 0.215 nan 8.180 nan 0.000 0.476 94 Q N -0.052 119.867 119.800 0.198 0.000 2.096 94 Q HA -0.143 4.197 4.340 -0.001 0.000 0.204 94 Q C 2.406 178.405 176.000 -0.002 0.000 0.982 94 Q CA 1.967 57.793 55.803 0.037 0.000 0.850 94 Q CB -1.514 27.272 28.738 0.080 0.000 0.901 94 Q HN 0.460 nan 8.270 nan 0.000 0.422 95 G N 0.892 109.755 108.800 0.105 0.000 2.440 95 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 95 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 95 G C 1.596 176.286 174.900 -0.351 0.000 1.154 95 G CA 0.687 45.826 45.100 0.065 0.000 0.767 95 G HN 0.281 nan 8.290 nan 0.000 0.552 96 L N -0.088 120.932 121.223 -0.339 0.000 2.046 96 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 96 L C 2.983 179.784 176.870 -0.115 0.000 1.077 96 L CA 1.381 55.997 54.840 -0.373 0.000 0.747 96 L CB -0.326 41.618 42.059 -0.190 0.000 0.896 96 L HN 0.169 nan 8.230 nan 0.000 0.432 97 K N -0.282 120.063 120.400 -0.091 0.000 2.032 97 K HA -0.194 4.125 4.320 -0.001 0.000 0.209 97 K C 2.097 178.626 176.600 -0.119 0.000 1.048 97 K CA 1.344 57.530 56.287 -0.169 0.000 0.927 97 K CB -0.145 32.102 32.500 -0.421 0.000 0.712 97 K HN 0.202 nan 8.250 nan 0.000 0.441 98 E N 0.978 121.099 120.200 -0.131 0.000 2.118 98 E HA -0.165 4.184 4.350 -0.001 0.000 0.195 98 E C 1.985 178.521 176.600 -0.106 0.000 0.992 98 E CA 0.918 57.258 56.400 -0.100 0.000 0.804 98 E CB -0.174 29.479 29.700 -0.077 0.000 0.741 98 E HN 0.332 nan 8.360 nan 0.000 0.458 99 L N -0.492 120.625 121.223 -0.177 0.000 2.362 99 L HA -0.069 4.270 4.340 -0.001 0.000 0.219 99 L C 1.396 178.213 176.870 -0.089 0.000 1.134 99 L CA 0.833 55.563 54.840 -0.183 0.000 0.807 99 L CB -0.238 41.608 42.059 -0.355 0.000 0.927 99 L HN 0.332 nan 8.230 nan 0.000 0.447 100 G N -1.263 107.512 108.800 -0.041 0.000 2.157 100 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.248 100 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.248 100 G C 0.961 175.899 174.900 0.062 0.000 0.979 100 G CA 0.415 45.532 45.100 0.027 0.000 0.650 100 G HN 0.431 nan 8.290 nan 0.000 0.529 101 A N -0.527 122.301 122.820 0.013 0.000 2.121 101 A HA 0.416 4.735 4.320 -0.001 0.000 0.218 101 A C 1.753 179.302 177.584 -0.057 0.000 1.154 101 A CA 1.742 53.753 52.037 -0.044 0.000 0.679 101 A CB -0.400 18.497 19.000 -0.172 0.000 0.795 101 A HN 0.688 nan 8.150 nan 0.000 0.458 102 F N -0.689 119.249 119.950 -0.020 0.000 2.811 102 F HA 0.220 4.746 4.527 -0.001 0.000 0.301 102 F C 1.724 177.729 175.800 0.341 0.000 1.151 102 F CA 0.805 58.861 58.000 0.094 0.000 1.412 102 F CB 0.427 39.323 39.000 -0.172 0.000 1.113 102 F HN 0.295 nan 8.300 nan 0.000 0.579 103 G N -0.662 108.344 108.800 0.344 0.000 4.867 103 G HA2 0.239 4.199 3.960 -0.001 0.000 0.258 103 G HA3 0.239 4.199 3.960 -0.001 0.000 0.258 103 G C 0.928 175.969 174.900 0.236 0.000 0.999 103 G CA -0.207 45.082 45.100 0.315 0.000 0.797 103 G HN 0.192 nan 8.290 nan 0.000 0.505 104 L N -0.622 120.745 121.223 0.240 0.000 2.079 104 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 104 L C 2.541 179.518 176.870 0.178 0.000 1.081 104 L CA 1.321 56.300 54.840 0.231 0.000 0.752 104 L CB 0.013 42.282 42.059 0.351 0.000 0.896 104 L HN 0.335 nan 8.230 nan 0.000 0.433 105 Q N -0.849 119.005 119.800 0.090 0.000 2.282 105 Q HA 0.154 4.494 4.340 -0.001 0.000 0.206 105 Q C -0.055 175.973 176.000 0.047 0.000 0.878 105 Q CA -0.262 55.540 55.803 -0.002 0.000 0.944 105 Q CB 0.910 29.524 28.738 -0.206 0.000 1.100 105 Q HN 0.221 nan 8.270 nan 0.000 0.509 106 V N 3.314 123.300 119.914 0.120 0.000 2.555 106 V HA 0.124 4.244 4.120 -0.001 0.000 0.286 106 V C -2.101 174.029 176.094 0.059 0.000 1.044 106 V CA -1.640 60.726 62.300 0.110 0.000 1.026 106 V CB 0.451 32.345 31.823 0.118 0.000 0.981 106 V HN 0.043 nan 8.190 nan 0.000 0.480 107 P HA 0.010 nan 4.420 nan 0.000 0.266 107 P C 1.006 178.312 177.300 0.010 0.000 1.193 107 P CA 0.298 63.404 63.100 0.009 0.000 0.770 107 P CB 0.487 32.186 31.700 -0.002 0.000 0.836 108 S N 2.511 118.209 115.700 -0.003 0.000 2.387 108 S HA -0.254 4.215 4.470 -0.001 0.000 0.230 108 S C 1.477 176.075 174.600 -0.003 0.000 1.035 108 S CA 1.479 59.678 58.200 -0.001 0.000 1.014 108 S CB -0.948 62.237 63.200 -0.026 0.000 0.836 108 S HN 0.642 nan 8.310 nan 0.000 0.466 109 E N 1.750 121.944 120.200 -0.010 0.000 2.274 109 E HA -0.061 4.289 4.350 -0.001 0.000 0.194 109 E C 1.502 178.097 176.600 -0.009 0.000 0.996 109 E CA 0.694 57.088 56.400 -0.010 0.000 0.840 109 E CB -0.498 29.194 29.700 -0.014 0.000 0.772 109 E HN 0.622 nan 8.360 nan 0.000 0.491 110 L N 0.253 121.473 121.223 -0.005 0.000 2.685 110 L HA 0.352 4.691 4.340 -0.001 0.000 0.233 110 L C 1.202 178.067 176.870 -0.009 0.000 1.173 110 L CA 0.334 55.169 54.840 -0.009 0.000 0.961 110 L CB 0.475 42.531 42.059 -0.004 0.000 1.217 110 L HN 0.311 nan 8.230 nan 0.000 0.478 111 G N -0.625 108.175 108.800 -0.000 0.000 2.157 111 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.248 111 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.248 111 G C 0.500 175.414 174.900 0.023 0.000 0.979 111 G CA -0.190 44.912 45.100 0.004 0.000 0.650 111 G HN 0.528 nan 8.290 nan 0.000 0.529 112 G N -1.316 107.508 108.800 0.039 0.000 2.532 112 G HA2 0.589 4.549 3.960 -0.001 0.000 0.291 112 G HA3 0.589 4.549 3.960 -0.001 0.000 0.291 112 G C 1.097 176.051 174.900 0.090 0.000 1.349 112 G CA 0.348 45.493 45.100 0.075 0.000 1.038 112 G HN 0.717 nan 8.290 nan 0.000 0.518 113 V N 0.382 120.373 119.914 0.127 0.000 3.129 113 V HA 0.236 4.356 4.120 -0.001 0.000 0.259 113 V C 2.127 178.315 176.094 0.158 0.000 1.116 113 V CA 1.154 63.563 62.300 0.182 0.000 1.127 113 V CB -0.588 31.362 31.823 0.212 0.000 0.742 113 V HN 1.625 nan 8.190 nan 0.000 0.474 114 G N 0.865 109.722 108.800 0.096 0.000 2.176 114 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.252 114 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.252 114 G C -0.006 174.920 174.900 0.044 0.000 1.024 114 G CA 0.212 45.332 45.100 0.034 0.000 0.755 114 G HN 0.453 nan 8.290 nan 0.000 0.507 115 L N 0.027 121.315 121.223 0.109 0.000 2.418 115 L HA 0.468 4.807 4.340 -0.001 0.000 0.265 115 L C 1.934 178.847 176.870 0.071 0.000 1.143 115 L CA -0.580 54.340 54.840 0.133 0.000 0.809 115 L CB 0.579 42.769 42.059 0.217 0.000 1.124 115 L HN 0.545 nan 8.230 nan 0.000 0.456 116 C N 0.326 119.663 119.300 0.062 0.000 2.517 116 C HA 0.272 4.732 4.460 -0.001 0.000 0.357 116 C C 1.772 176.787 174.990 0.042 0.000 1.485 116 C CA -0.884 58.140 59.018 0.010 0.000 2.148 116 C CB 0.403 28.134 27.740 -0.016 0.000 2.019 116 C HN 0.811 nan 8.230 nan 0.000 0.576 117 N N 0.286 118.955 118.700 -0.052 0.000 2.120 117 N HA -0.105 4.635 4.740 -0.001 0.000 0.188 117 N C 1.740 177.270 175.510 0.033 0.000 1.024 117 N CA 1.999 55.011 53.050 -0.064 0.000 0.852 117 N CB -0.618 37.549 38.487 -0.533 0.000 1.003 117 N HN 0.791 nan 8.380 nan 0.000 0.424 118 T N 1.844 116.373 114.554 -0.041 0.000 2.777 118 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 118 T C 1.995 176.759 174.700 0.108 0.000 1.040 118 T CA 1.047 63.154 62.100 0.012 0.000 1.141 118 T CB -0.100 68.793 68.868 0.041 0.000 0.868 118 T HN 0.325 nan 8.240 nan 0.000 0.444 119 Q N -0.473 119.407 119.800 0.133 0.000 2.084 119 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 119 Q C 2.046 178.150 176.000 0.174 0.000 0.978 119 Q CA 1.441 57.340 55.803 0.160 0.000 0.844 119 Q CB -0.293 28.549 28.738 0.174 0.000 0.898 119 Q HN 0.599 nan 8.270 nan 0.000 0.426 120 Y N 0.987 121.332 120.300 0.075 0.000 2.145 120 Y HA -0.241 4.308 4.550 -0.001 0.000 0.286 120 Y C 2.212 178.134 175.900 0.037 0.000 1.145 120 Y CA 1.343 59.485 58.100 0.070 0.000 1.148 120 Y CB -0.478 38.052 38.460 0.116 0.000 0.981 120 Y HN 0.082 nan 8.280 nan 0.000 0.507 121 A N 0.406 123.276 122.820 0.084 0.000 1.908 121 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 121 A C 2.242 179.715 177.584 -0.185 0.000 1.181 121 A CA 2.033 53.982 52.037 -0.147 0.000 0.627 121 A CB -0.767 18.048 19.000 -0.308 0.000 0.818 121 A HN 0.470 nan 8.150 nan 0.000 0.445 122 R N 0.040 120.526 120.500 -0.023 0.000 2.096 122 R HA 0.005 4.345 4.340 -0.001 0.000 0.235 122 R C 1.763 178.062 176.300 -0.001 0.000 1.127 122 R CA 1.629 57.789 56.100 0.101 0.000 0.968 122 R CB -0.660 29.744 30.300 0.174 0.000 0.861 122 R HN 0.528 nan 8.270 nan 0.000 0.440 123 L N -0.823 120.359 121.223 -0.069 0.000 2.162 123 L HA -0.018 4.321 4.340 -0.001 0.000 0.205 123 L C 2.201 178.951 176.870 -0.199 0.000 1.086 123 L CA 0.522 55.301 54.840 -0.101 0.000 0.778 123 L CB -0.362 41.650 42.059 -0.078 0.000 0.928 123 L HN 0.012 nan 8.230 nan 0.000 0.446 124 V N 1.301 121.011 119.914 -0.341 0.000 2.392 124 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 124 V C 2.519 178.464 176.094 -0.248 0.000 1.059 124 V CA 2.311 64.378 62.300 -0.387 0.000 1.051 124 V CB -0.702 30.761 31.823 -0.600 0.000 0.658 124 V HN 0.659 nan 8.190 nan 0.000 0.455 125 E N 0.205 120.301 120.200 -0.174 0.000 2.204 125 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 125 E C 2.035 178.564 176.600 -0.117 0.000 0.990 125 E CA 1.665 57.998 56.400 -0.111 0.000 0.821 125 E CB -0.427 29.262 29.700 -0.019 0.000 0.750 125 E HN 0.604 nan 8.360 nan 0.000 0.477 126 I N 1.188 121.685 120.570 -0.121 0.000 2.202 126 I HA -0.230 3.939 4.170 -0.001 0.000 0.242 126 I C 2.364 178.315 176.117 -0.277 0.000 1.091 126 I CA 0.787 62.020 61.300 -0.111 0.000 1.368 126 I CB -0.214 37.744 38.000 -0.069 0.000 1.058 126 I HN 0.049 nan 8.210 nan 0.000 0.410 127 V N 1.228 120.884 119.914 -0.430 0.000 2.295 127 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 127 V C 2.636 178.543 176.094 -0.311 0.000 1.049 127 V CA 2.219 64.162 62.300 -0.595 0.000 1.024 127 V CB -1.603 29.992 31.823 -0.381 0.000 0.648 127 V HN 0.584 nan 8.190 nan 0.000 0.447 128 G N -0.822 107.848 108.800 -0.215 0.000 2.442 128 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.219 128 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.219 128 G C 1.657 176.456 174.900 -0.168 0.000 1.141 128 G CA 1.176 46.178 45.100 -0.162 0.000 0.763 128 G HN 0.465 nan 8.290 nan 0.000 0.554 129 M N -0.697 118.786 119.600 -0.195 0.000 2.159 129 M HA -0.079 4.401 4.480 -0.001 0.000 0.263 129 M C 2.281 178.384 176.300 -0.329 0.000 1.063 129 M CA 1.465 56.605 55.300 -0.266 0.000 1.110 129 M CB -0.086 32.317 32.600 -0.328 0.000 1.374 129 M HN 0.277 nan 8.290 nan 0.000 0.411 130 H N -1.810 117.167 119.070 -0.155 0.000 2.460 130 H HA 0.196 4.752 4.556 -0.001 0.000 0.297 130 H C -0.118 175.209 175.328 -0.002 0.000 1.023 130 H CA 0.668 56.673 56.048 -0.071 0.000 1.321 130 H CB 0.747 30.470 29.762 -0.066 0.000 1.455 130 H HN 0.269 nan 8.280 nan 0.000 0.539 131 D N 0.010 120.459 120.400 0.083 0.000 2.312 131 D HA 0.078 4.718 4.640 -0.001 0.000 0.229 131 D C 0.548 176.917 176.300 0.115 0.000 1.337 131 D CA -0.111 53.977 54.000 0.145 0.000 0.964 131 D CB 0.540 41.519 40.800 0.298 0.000 1.456 131 D HN 0.007 nan 8.370 nan 0.000 0.547 132 L N 1.722 123.006 121.223 0.102 0.000 2.217 132 L HA 0.108 4.447 4.340 -0.001 0.000 0.211 132 L C 2.500 179.509 176.870 0.232 0.000 1.107 132 L CA 1.278 56.216 54.840 0.163 0.000 0.783 132 L CB 0.046 42.204 42.059 0.165 0.000 0.919 132 L HN 0.441 nan 8.230 nan 0.000 0.442 133 G N -0.040 108.877 108.800 0.195 0.000 2.459 133 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 133 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 133 G C 1.585 176.605 174.900 0.201 0.000 1.183 133 G CA 0.993 46.205 45.100 0.186 0.000 0.776 133 G HN 0.161 nan 8.290 nan 0.000 0.552 134 V N 1.728 121.778 119.914 0.227 0.000 2.287 134 V HA -0.114 4.005 4.120 -0.001 0.000 0.248 134 V C 3.183 179.391 176.094 0.190 0.000 1.053 134 V CA 2.114 64.571 62.300 0.261 0.000 1.027 134 V CB -1.197 30.856 31.823 0.383 0.000 0.646 134 V HN 0.462 nan 8.190 nan 0.000 0.447 135 G N 0.332 109.225 108.800 0.154 0.000 2.476 135 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 135 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 135 G C 1.452 176.415 174.900 0.104 0.000 1.164 135 G CA 1.185 46.342 45.100 0.093 0.000 0.768 135 G HN 0.383 nan 8.290 nan 0.000 0.560 136 I N 1.040 121.706 120.570 0.160 0.000 2.226 136 I HA -0.111 4.059 4.170 -0.001 0.000 0.245 136 I C 2.919 179.091 176.117 0.092 0.000 1.100 136 I CA 1.720 63.084 61.300 0.107 0.000 1.374 136 I CB -1.468 36.620 38.000 0.147 0.000 1.057 136 I HN 0.230 nan 8.210 nan 0.000 0.413 137 T N 0.993 115.636 114.554 0.148 0.000 2.684 137 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 137 T C 2.077 176.864 174.700 0.145 0.000 1.036 137 T CA 1.384 63.605 62.100 0.202 0.000 1.148 137 T CB -0.143 68.923 68.868 0.331 0.000 0.863 137 T HN 0.251 nan 8.240 nan 0.000 0.436 138 L N 0.194 121.432 121.223 0.024 0.000 2.093 138 L HA 0.134 4.474 4.340 -0.001 0.000 0.208 138 L C 3.029 179.907 176.870 0.013 0.000 1.085 138 L CA 1.270 56.045 54.840 -0.109 0.000 0.755 138 L CB -0.801 41.130 42.059 -0.212 0.000 0.904 138 L HN 0.401 nan 8.230 nan 0.000 0.435 139 G N -0.453 108.350 108.800 0.005 0.000 2.403 139 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.216 139 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.216 139 G C 1.810 176.670 174.900 -0.067 0.000 1.154 139 G CA 0.650 45.731 45.100 -0.032 0.000 0.784 139 G HN 0.415 nan 8.290 nan 0.000 0.538 140 A N 0.254 123.056 122.820 -0.030 0.000 1.940 140 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 140 A C 2.090 179.721 177.584 0.078 0.000 1.176 140 A CA 1.958 53.991 52.037 -0.006 0.000 0.631 140 A CB -0.847 18.186 19.000 0.056 0.000 0.814 140 A HN 0.578 nan 8.150 nan 0.000 0.446 141 H N -0.109 118.993 119.070 0.054 0.000 2.276 141 H HA -0.141 4.414 4.556 -0.001 0.000 0.301 141 H C 2.212 177.553 175.328 0.023 0.000 1.073 141 H CA 1.976 58.112 56.048 0.148 0.000 1.311 141 H CB -0.001 29.895 29.762 0.224 0.000 1.379 141 H HN 0.745 nan 8.280 nan 0.000 0.494 142 Q N -0.621 119.039 119.800 -0.233 0.000 2.423 142 Q HA 0.097 4.436 4.340 -0.001 0.000 0.231 142 Q C 2.104 177.726 176.000 -0.631 0.000 0.894 142 Q CA 0.531 55.896 55.803 -0.729 0.000 0.938 142 Q CB 0.200 28.750 28.738 -0.314 0.000 1.079 142 Q HN 0.159 nan 8.270 nan 0.000 0.552 143 S N 1.535 117.041 115.700 -0.324 0.000 2.406 143 S HA 0.014 4.483 4.470 -0.001 0.000 0.228 143 S C 1.967 176.367 174.600 -0.333 0.000 1.020 143 S CA 1.515 59.532 58.200 -0.305 0.000 0.965 143 S CB -0.078 63.000 63.200 -0.203 0.000 0.798 143 S HN 0.659 nan 8.310 nan 0.000 0.488 144 I N -3.498 116.880 120.570 -0.321 0.000 4.706 144 I HA 0.449 4.619 4.170 -0.001 0.000 0.321 144 I C 2.041 178.131 176.117 -0.044 0.000 1.249 144 I CA 0.400 61.525 61.300 -0.292 0.000 1.321 144 I CB -0.711 36.931 38.000 -0.597 0.000 1.342 144 I HN 0.132 nan 8.210 nan 0.000 0.463 145 G N 2.708 111.477 108.800 -0.052 0.000 2.421 145 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.216 145 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.216 145 G C 1.256 176.229 174.900 0.122 0.000 1.171 145 G CA 1.562 46.733 45.100 0.119 0.000 0.775 145 G HN 0.663 nan 8.290 nan 0.000 0.543 146 F N -0.504 119.410 119.950 -0.060 0.000 2.688 146 F HA 0.571 5.098 4.527 -0.001 0.000 0.310 146 F C 1.660 177.438 175.800 -0.036 0.000 1.098 146 F CA -0.379 57.580 58.000 -0.069 0.000 1.228 146 F CB 0.232 39.148 39.000 -0.140 0.000 1.042 146 F HN -0.026 nan 8.300 nan 0.000 0.557 147 K N 1.849 122.046 120.400 -0.338 0.000 2.127 147 K HA -0.067 4.253 4.320 -0.001 0.000 0.208 147 K C 2.179 178.763 176.600 -0.027 0.000 1.047 147 K CA 2.047 58.184 56.287 -0.249 0.000 0.927 147 K CB -1.166 31.194 32.500 -0.233 0.000 0.716 147 K HN 0.408 nan 8.250 nan 0.000 0.450 148 G N 0.531 109.401 108.800 0.116 0.000 2.450 148 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.220 148 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.220 148 G C 1.576 176.585 174.900 0.182 0.000 1.130 148 G CA 1.089 46.334 45.100 0.242 0.000 0.760 148 G HN 0.376 nan 8.290 nan 0.000 0.557 149 I N 0.164 120.827 120.570 0.156 0.000 2.315 149 I HA -0.101 4.068 4.170 -0.001 0.000 0.248 149 I C 2.643 178.823 176.117 0.105 0.000 1.117 149 I CA 0.575 61.966 61.300 0.152 0.000 1.404 149 I CB -0.172 37.937 38.000 0.182 0.000 1.071 149 I HN 0.127 nan 8.210 nan 0.000 0.419 150 L N 0.092 121.367 121.223 0.086 0.000 2.093 150 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 150 L C 2.422 179.226 176.870 -0.110 0.000 1.085 150 L CA 1.288 56.136 54.840 0.014 0.000 0.755 150 L CB -0.306 41.750 42.059 -0.005 0.000 0.904 150 L HN 0.283 nan 8.230 nan 0.000 0.435 151 L N -2.097 118.981 121.223 -0.241 0.000 2.162 151 L HA -0.057 4.283 4.340 -0.001 0.000 0.205 151 L C 1.328 177.768 176.870 -0.716 0.000 1.086 151 L CA 0.935 55.411 54.840 -0.606 0.000 0.778 151 L CB 0.022 41.477 42.059 -1.006 0.000 0.928 151 L HN 0.189 nan 8.230 nan 0.000 0.446 152 F N -1.002 118.951 119.950 0.006 0.000 2.856 152 F HA 0.330 4.856 4.527 -0.001 0.000 0.338 152 F C 1.297 177.102 175.800 0.009 0.000 1.100 152 F CA -0.843 57.154 58.000 -0.004 0.000 1.150 152 F CB -0.262 38.734 39.000 -0.007 0.000 1.101 152 F HN -0.180 nan 8.300 nan 0.000 0.548 153 G N 1.259 110.144 108.800 0.141 0.000 2.442 153 G HA2 0.379 4.338 3.960 -0.001 0.000 0.249 153 G HA3 0.379 4.338 3.960 -0.001 0.000 0.249 153 G C 0.379 175.336 174.900 0.095 0.000 1.263 153 G CA -0.073 45.101 45.100 0.124 0.000 0.846 153 G HN 0.149 nan 8.290 nan 0.000 0.555 154 T N -0.299 114.310 114.554 0.092 0.000 2.802 154 T HA 0.107 4.457 4.350 -0.001 0.000 0.305 154 T C 1.570 176.306 174.700 0.061 0.000 1.053 154 T CA 0.005 62.146 62.100 0.070 0.000 1.058 154 T CB 1.212 70.120 68.868 0.066 0.000 0.988 154 T HN 0.628 nan 8.240 nan 0.000 0.539 155 K N 0.707 121.133 120.400 0.042 0.000 2.044 155 K HA -0.194 4.125 4.320 -0.001 0.000 0.210 155 K C 2.432 179.050 176.600 0.030 0.000 1.049 155 K CA 1.562 57.867 56.287 0.030 0.000 0.927 155 K CB -0.942 31.570 32.500 0.020 0.000 0.713 155 K HN 0.731 nan 8.250 nan 0.000 0.443 156 A N 0.972 123.812 122.820 0.034 0.000 1.865 156 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 156 A C 2.091 179.694 177.584 0.031 0.000 1.191 156 A CA 1.824 53.876 52.037 0.024 0.000 0.623 156 A CB -0.684 18.336 19.000 0.033 0.000 0.826 156 A HN 0.540 nan 8.150 nan 0.000 0.444 157 Q N -0.428 119.427 119.800 0.092 0.000 2.084 157 Q HA -0.180 4.159 4.340 -0.001 0.000 0.202 157 Q C 2.154 178.261 176.000 0.178 0.000 0.978 157 Q CA 1.803 57.721 55.803 0.191 0.000 0.844 157 Q CB -0.186 28.692 28.738 0.233 0.000 0.898 157 Q HN 0.641 nan 8.270 nan 0.000 0.426 158 K N 0.588 121.054 120.400 0.110 0.000 2.057 158 K HA -0.162 4.158 4.320 -0.001 0.000 0.207 158 K C 1.951 178.570 176.600 0.032 0.000 1.049 158 K CA 1.310 57.646 56.287 0.082 0.000 0.931 158 K CB -0.017 32.516 32.500 0.055 0.000 0.714 158 K HN 0.281 nan 8.250 nan 0.000 0.440 159 E N 0.830 121.031 120.200 0.001 0.000 2.106 159 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 159 E C 2.045 178.596 176.600 -0.083 0.000 0.984 159 E CA 0.830 57.211 56.400 -0.032 0.000 0.806 159 E CB 0.031 29.713 29.700 -0.029 0.000 0.750 159 E HN 0.235 nan 8.360 nan 0.000 0.458 160 K N 0.152 120.464 120.400 -0.146 0.000 2.025 160 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 160 K C 1.521 177.888 176.600 -0.388 0.000 1.049 160 K CA 1.325 57.407 56.287 -0.342 0.000 0.933 160 K CB 0.070 32.220 32.500 -0.583 0.000 0.714 160 K HN 0.082 nan 8.250 nan 0.000 0.438 161 Y N 0.053 120.334 120.300 -0.031 0.000 2.500 161 Y HA 0.134 4.684 4.550 -0.001 0.000 0.284 161 Y C 1.830 177.646 175.900 -0.139 0.000 1.118 161 Y CA 0.074 58.133 58.100 -0.068 0.000 1.241 161 Y CB 0.023 38.455 38.460 -0.047 0.000 1.171 161 Y HN -0.089 nan 8.280 nan 0.000 0.540 162 L N 0.311 121.536 121.223 0.004 0.000 2.046 162 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 162 L C -0.583 176.203 176.870 -0.139 0.000 1.077 162 L CA 1.326 56.091 54.840 -0.125 0.000 0.747 162 L CB -1.718 40.305 42.059 -0.059 0.000 0.896 162 L HN 0.170 nan 8.230 nan 0.000 0.432 163 P HA -0.184 nan 4.420 nan 0.000 0.215 163 P C 1.345 178.600 177.300 -0.076 0.000 1.157 163 P CA 1.482 64.542 63.100 -0.066 0.000 0.868 163 P CB 0.031 31.700 31.700 -0.051 0.000 0.788 164 K N -0.961 119.395 120.400 -0.073 0.000 2.288 164 K HA 0.012 4.332 4.320 -0.001 0.000 0.201 164 K C 2.028 178.576 176.600 -0.086 0.000 1.048 164 K CA 0.680 56.925 56.287 -0.070 0.000 0.956 164 K CB -0.515 31.959 32.500 -0.044 0.000 0.746 164 K HN 0.122 nan 8.250 nan 0.000 0.461 165 L N 0.376 121.508 121.223 -0.152 0.000 2.017 165 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 165 L C 2.496 179.312 176.870 -0.090 0.000 1.073 165 L CA 1.348 56.041 54.840 -0.245 0.000 0.745 165 L CB -0.498 41.037 42.059 -0.872 0.000 0.894 165 L HN 0.175 nan 8.230 nan 0.000 0.432 166 A N -0.460 122.281 122.820 -0.132 0.000 2.015 166 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 166 A C 2.397 180.024 177.584 0.072 0.000 1.163 166 A CA 1.653 53.707 52.037 0.029 0.000 0.646 166 A CB -0.460 18.541 19.000 0.001 0.000 0.806 166 A HN 0.511 nan 8.150 nan 0.000 0.448 167 S N -2.314 113.373 115.700 -0.022 0.000 2.548 167 S HA 0.382 4.852 4.470 -0.001 0.000 0.215 167 S C 1.420 175.882 174.600 -0.230 0.000 0.976 167 S CA 1.061 59.214 58.200 -0.078 0.000 0.908 167 S CB -0.161 62.985 63.200 -0.089 0.000 0.781 167 S HN 1.847 nan 8.310 nan 0.000 0.519 168 G N 1.555 110.194 108.800 -0.268 0.000 2.148 168 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.254 168 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.254 168 G C 0.523 175.128 174.900 -0.492 0.000 0.981 168 G CA 0.576 45.243 45.100 -0.722 0.000 0.670 168 G HN 0.603 nan 8.290 nan 0.000 0.528 169 E N 0.301 120.350 120.200 -0.253 0.000 2.106 169 E HA -0.015 4.334 4.350 -0.001 0.000 0.192 169 E C 1.262 177.797 176.600 -0.107 0.000 0.984 169 E CA 1.514 57.818 56.400 -0.160 0.000 0.806 169 E CB -0.038 29.600 29.700 -0.102 0.000 0.750 169 E HN 0.703 nan 8.360 nan 0.000 0.458 170 T N -0.741 113.766 114.554 -0.080 0.000 2.791 170 T HA 0.499 4.848 4.350 -0.001 0.000 0.288 170 T C -0.257 174.462 174.700 0.032 0.000 0.999 170 T CA -0.965 61.115 62.100 -0.034 0.000 0.952 170 T CB 1.708 70.564 68.868 -0.020 0.000 0.938 170 T HN -0.135 nan 8.240 nan 0.000 0.444 171 V N 2.724 122.665 119.914 0.045 0.000 2.732 171 V HA 0.679 4.799 4.120 -0.001 0.000 0.297 171 V C 0.831 177.073 176.094 0.247 0.000 1.060 171 V CA -0.499 61.924 62.300 0.206 0.000 1.038 171 V CB 1.053 33.009 31.823 0.222 0.000 1.003 171 V HN 1.223 nan 8.190 nan 0.000 0.481 172 A N 3.149 126.299 122.820 0.550 0.000 2.322 172 A HA 0.989 5.309 4.320 -0.001 0.000 0.327 172 A C -0.260 177.441 177.584 0.194 0.000 1.134 172 A CA -0.211 51.961 52.037 0.224 0.000 0.831 172 A CB 1.627 20.770 19.000 0.239 0.000 1.288 172 A HN 1.474 nan 8.150 nan 0.000 0.472 173 A N 0.035 122.928 122.820 0.122 0.000 2.520 173 A HA 0.638 4.957 4.320 -0.001 0.000 0.298 173 A C -1.352 176.424 177.584 0.321 0.000 1.051 173 A CA -0.395 51.784 52.037 0.236 0.000 0.690 173 A CB 0.853 20.022 19.000 0.281 0.000 1.281 173 A HN 1.461 nan 8.150 nan 0.000 0.402 174 F N 2.216 122.265 119.950 0.165 0.000 2.391 174 F HA 0.520 5.047 4.527 -0.001 0.000 0.359 174 F C -0.332 175.609 175.800 0.234 0.000 1.122 174 F CA -0.507 57.607 58.000 0.190 0.000 1.120 174 F CB 0.872 39.943 39.000 0.118 0.000 1.142 174 F HN 0.486 nan 8.300 nan 0.000 0.483 175 C N 8.559 127.850 119.300 -0.015 0.000 2.248 175 C HA 0.330 4.790 4.460 -0.001 0.000 0.320 175 C C 0.803 175.801 174.990 0.014 0.000 1.065 175 C CA -0.580 58.480 59.018 0.069 0.000 1.558 175 C CB -0.623 27.193 27.740 0.127 0.000 1.787 175 C HN 0.995 nan 8.230 nan 0.000 0.426 176 L N 2.540 123.761 121.223 -0.004 0.000 2.614 176 L HA 0.354 4.694 4.340 -0.001 0.000 0.185 176 L C 1.320 178.211 176.870 0.034 0.000 1.098 176 L CA 1.395 56.216 54.840 -0.032 0.000 0.852 176 L CB -0.542 41.394 42.059 -0.206 0.000 1.213 176 L HN 0.412 nan 8.230 nan 0.000 0.491 177 T N 2.021 116.627 114.554 0.087 0.000 2.946 177 T HA 0.193 4.542 4.350 -0.001 0.000 0.311 177 T C -0.180 174.531 174.700 0.018 0.000 1.063 177 T CA 0.265 62.413 62.100 0.081 0.000 1.139 177 T CB 0.217 69.183 68.868 0.163 0.000 0.994 177 T HN 0.311 nan 8.240 nan 0.000 0.547 178 E N 2.546 122.736 120.200 -0.017 0.000 2.410 178 E HA 0.258 4.607 4.350 -0.001 0.000 0.269 178 E C -1.879 174.644 176.600 -0.129 0.000 0.937 178 E CA -2.292 54.066 56.400 -0.069 0.000 0.793 178 E CB 1.482 31.167 29.700 -0.025 0.000 1.314 178 E HN 0.196 nan 8.360 nan 0.000 0.447 179 P HA -0.229 nan 4.420 nan 0.000 0.216 179 P C 1.219 178.466 177.300 -0.089 0.000 1.150 179 P CA 1.683 64.677 63.100 -0.177 0.000 0.843 179 P CB 0.131 31.757 31.700 -0.124 0.000 0.787 180 S N -3.018 112.657 115.700 -0.043 0.000 2.496 180 S HA 0.108 4.577 4.470 -0.001 0.000 0.224 180 S C 0.733 175.337 174.600 0.006 0.000 0.996 180 S CA 0.093 58.287 58.200 -0.011 0.000 0.927 180 S CB -0.336 62.863 63.200 -0.002 0.000 0.774 180 S HN -0.074 nan 8.310 nan 0.000 0.524 181 S N 0.349 116.053 115.700 0.007 0.000 2.789 181 S HA 0.692 5.161 4.470 -0.001 0.000 0.286 181 S C 0.420 175.050 174.600 0.049 0.000 1.153 181 S CA -0.623 57.595 58.200 0.029 0.000 1.084 181 S CB 1.568 64.784 63.200 0.027 0.000 1.036 181 S HN 0.477 nan 8.310 nan 0.000 0.484 182 G N 1.658 110.501 108.800 0.072 0.000 2.478 182 G HA2 0.122 4.081 3.960 -0.001 0.000 0.211 182 G HA3 0.122 4.081 3.960 -0.001 0.000 0.211 182 G C 1.195 176.142 174.900 0.077 0.000 1.726 182 G CA -0.005 45.158 45.100 0.105 0.000 0.725 182 G HN 0.549 nan 8.290 nan 0.000 0.654 183 S N 0.751 116.492 115.700 0.068 0.000 2.370 183 S HA -0.081 4.388 4.470 -0.001 0.000 0.226 183 S C 1.000 175.631 174.600 0.052 0.000 1.033 183 S CA 1.234 59.463 58.200 0.048 0.000 1.011 183 S CB -0.176 63.049 63.200 0.042 0.000 0.852 183 S HN 0.422 nan 8.310 nan 0.000 0.457 184 D N 1.031 121.464 120.400 0.056 0.000 2.517 184 D HA 0.501 5.140 4.640 -0.001 0.000 0.220 184 D C 0.800 177.149 176.300 0.082 0.000 1.158 184 D CA -0.047 53.992 54.000 0.065 0.000 0.992 184 D CB 0.427 41.252 40.800 0.041 0.000 1.058 184 D HN 0.142 nan 8.370 nan 0.000 0.516 185 A N 3.188 126.084 122.820 0.126 0.000 1.972 185 A HA -0.060 4.260 4.320 -0.001 0.000 0.219 185 A C 2.142 179.828 177.584 0.170 0.000 1.169 185 A CA 1.480 53.589 52.037 0.121 0.000 0.635 185 A CB -0.417 18.620 19.000 0.062 0.000 0.810 185 A HN 0.558 nan 8.150 nan 0.000 0.446 186 A N 0.212 123.148 122.820 0.193 0.000 2.125 186 A HA -0.022 4.297 4.320 -0.001 0.000 0.219 186 A C 2.198 179.795 177.584 0.022 0.000 1.156 186 A CA 1.879 53.945 52.037 0.048 0.000 0.671 186 A CB -0.690 18.223 19.000 -0.145 0.000 0.794 186 A HN 1.030 nan 8.150 nan 0.000 0.459 187 S N -0.172 115.549 115.700 0.034 0.000 2.575 187 S HA 0.242 4.711 4.470 -0.001 0.000 0.215 187 S C 0.667 175.282 174.600 0.026 0.000 0.966 187 S CA -0.128 58.084 58.200 0.020 0.000 0.911 187 S CB -1.119 62.091 63.200 0.017 0.000 0.780 187 S HN 0.630 nan 8.310 nan 0.000 0.514 188 I N -0.632 119.960 120.570 0.037 0.000 2.813 188 I HA 0.283 4.453 4.170 -0.001 0.000 0.287 188 I C 1.151 177.285 176.117 0.029 0.000 1.196 188 I CA -0.486 60.834 61.300 0.034 0.000 1.421 188 I CB 0.548 38.574 38.000 0.044 0.000 1.365 188 I HN -0.054 nan 8.210 nan 0.000 0.591 189 R N 1.818 122.332 120.500 0.023 0.000 2.344 189 R HA 0.165 4.505 4.340 -0.001 0.000 0.209 189 R C 0.208 176.521 176.300 0.021 0.000 0.886 189 R CA -0.059 56.054 56.100 0.022 0.000 1.040 189 R CB 0.261 30.572 30.300 0.019 0.000 1.114 189 R HN 0.730 nan 8.270 nan 0.000 0.547 190 T N 1.854 116.418 114.554 0.017 0.000 2.934 190 T HA 0.045 4.394 4.350 -0.001 0.000 0.306 190 T C 0.313 175.010 174.700 -0.006 0.000 1.042 190 T CA 0.385 62.484 62.100 -0.001 0.000 1.145 190 T CB 0.794 69.638 68.868 -0.040 0.000 0.982 190 T HN 0.223 nan 8.240 nan 0.000 0.544 191 S N 1.191 116.884 115.700 -0.012 0.000 2.568 191 S HA 0.818 5.288 4.470 -0.001 0.000 0.293 191 S C -0.885 173.701 174.600 -0.025 0.000 1.089 191 S CA -1.057 57.145 58.200 0.004 0.000 0.945 191 S CB 2.165 65.378 63.200 0.022 0.000 1.077 191 S HN 0.923 nan 8.310 nan 0.000 0.485 192 A N 1.958 124.788 122.820 0.016 0.000 2.357 192 A HA 0.708 5.028 4.320 -0.001 0.000 0.295 192 A C -0.949 176.755 177.584 0.200 0.000 1.121 192 A CA -0.711 51.337 52.037 0.018 0.000 0.742 192 A CB 1.143 20.040 19.000 -0.171 0.000 1.181 192 A HN 0.905 nan 8.150 nan 0.000 0.454 193 V N 5.226 125.229 119.914 0.148 0.000 2.398 193 V HA 0.472 4.592 4.120 -0.001 0.000 0.286 193 V C -2.106 173.937 176.094 -0.085 0.000 1.026 193 V CA -1.634 60.712 62.300 0.077 0.000 0.868 193 V CB 1.764 33.595 31.823 0.014 0.000 0.982 193 V HN 0.831 nan 8.190 nan 0.000 0.443 194 P HA 0.181 nan 4.420 nan 0.000 0.275 194 P C -0.181 176.806 177.300 -0.521 0.000 1.227 194 P CA -0.128 62.505 63.100 -0.778 0.000 0.781 194 P CB 1.003 32.252 31.700 -0.753 0.000 0.906 195 S N 2.799 118.074 115.700 -0.709 0.000 2.579 195 S HA 0.181 4.651 4.470 -0.001 0.000 0.275 195 S C -1.514 172.838 174.600 -0.412 0.000 1.345 195 S CA -0.727 57.076 58.200 -0.661 0.000 1.031 195 S CB -0.468 61.930 63.200 -1.337 0.000 0.892 195 S HN 0.285 nan 8.310 nan 0.000 0.529 196 P HA -0.093 nan 4.420 nan 0.000 0.216 196 P C 1.651 178.859 177.300 -0.153 0.000 1.153 196 P CA 1.396 64.397 63.100 -0.166 0.000 0.858 196 P CB -0.467 31.170 31.700 -0.106 0.000 0.789 197 C N -3.307 115.895 119.300 -0.163 0.000 2.472 197 C HA 0.446 4.905 4.460 -0.001 0.000 0.278 197 C C 2.093 176.998 174.990 -0.141 0.000 1.447 197 C CA -0.076 58.872 59.018 -0.116 0.000 1.773 197 C CB -1.625 26.077 27.740 -0.063 0.000 1.793 197 C HN 0.442 nan 8.230 nan 0.000 0.544 198 G N 0.898 109.553 108.800 -0.241 0.000 2.168 198 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.263 198 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.263 198 G C 0.848 175.647 174.900 -0.167 0.000 0.977 198 G CA 0.829 45.791 45.100 -0.231 0.000 0.659 198 G HN 0.653 nan 8.290 nan 0.000 0.533 199 K N -1.111 119.202 120.400 -0.146 0.000 2.296 199 K HA 0.258 4.577 4.320 -0.001 0.000 0.200 199 K C 0.864 177.533 176.600 0.114 0.000 1.048 199 K CA 1.322 57.620 56.287 0.018 0.000 0.966 199 K CB 0.081 32.652 32.500 0.117 0.000 0.754 199 K HN 0.828 nan 8.250 nan 0.000 0.466 200 Y N -3.409 116.857 120.300 -0.057 0.000 2.689 200 Y HA 0.479 5.028 4.550 -0.001 0.000 0.333 200 Y C -1.210 174.643 175.900 -0.078 0.000 1.190 200 Y CA -1.902 56.193 58.100 -0.009 0.000 1.063 200 Y CB 0.661 39.089 38.460 -0.054 0.000 1.294 200 Y HN -0.239 nan 8.280 nan 0.000 0.466 201 Y N -0.051 120.305 120.300 0.094 0.000 2.468 201 Y HA 0.603 5.153 4.550 -0.001 0.000 0.342 201 Y C -0.314 175.623 175.900 0.061 0.000 1.021 201 Y CA -1.089 56.999 58.100 -0.020 0.000 1.079 201 Y CB 2.681 41.065 38.460 -0.127 0.000 1.226 201 Y HN 0.640 nan 8.280 nan 0.000 0.460 202 T N 4.456 119.109 114.554 0.165 0.000 2.749 202 T HA 0.372 4.721 4.350 -0.001 0.000 0.287 202 T C -1.146 173.568 174.700 0.024 0.000 0.970 202 T CA -0.449 61.721 62.100 0.117 0.000 0.980 202 T CB 0.448 69.388 68.868 0.121 0.000 0.924 202 T HN 0.290 nan 8.240 nan 0.000 0.456 203 L N 4.657 125.866 121.223 -0.022 0.000 2.296 203 L HA 0.592 4.931 4.340 -0.001 0.000 0.286 203 L C -0.687 176.184 176.870 0.002 0.000 1.023 203 L CA -0.235 54.546 54.840 -0.099 0.000 0.812 203 L CB 0.880 42.797 42.059 -0.238 0.000 1.223 203 L HN 0.477 nan 8.230 nan 0.000 0.421 204 N N 3.949 122.650 118.700 0.000 0.000 2.371 204 N HA 0.807 5.546 4.740 -0.001 0.000 0.291 204 N C -0.522 175.031 175.510 0.071 0.000 1.053 204 N CA 0.010 53.100 53.050 0.067 0.000 0.870 204 N CB 2.250 40.767 38.487 0.049 0.000 1.503 204 N HN 0.916 nan 8.380 nan 0.000 0.485 205 G N 0.196 109.093 108.800 0.162 0.000 2.367 205 G HA2 0.318 4.277 3.960 -0.001 0.000 0.272 205 G HA3 0.318 4.277 3.960 -0.001 0.000 0.272 205 G C -1.740 173.313 174.900 0.255 0.000 1.271 205 G CA -0.343 44.849 45.100 0.154 0.000 0.893 205 G HN 0.628 nan 8.290 nan 0.000 0.485 206 S N -0.646 115.161 115.700 0.179 0.000 2.564 206 S HA 0.862 5.331 4.470 -0.001 0.000 0.274 206 S C -1.389 173.224 174.600 0.021 0.000 1.124 206 S CA -0.789 57.473 58.200 0.104 0.000 0.869 206 S CB 2.741 66.005 63.200 0.108 0.000 1.105 206 S HN 0.679 nan 8.310 nan 0.000 0.472 207 K N 0.766 121.123 120.400 -0.073 0.000 2.385 207 K HA 0.673 4.993 4.320 -0.001 0.000 0.248 207 K C -1.533 174.959 176.600 -0.179 0.000 0.955 207 K CA -0.685 55.571 56.287 -0.052 0.000 0.816 207 K CB 2.012 34.558 32.500 0.078 0.000 1.250 207 K HN 0.682 nan 8.250 nan 0.000 0.434 208 L N 1.370 122.499 121.223 -0.156 0.000 2.386 208 L HA 0.501 4.841 4.340 -0.001 0.000 0.271 208 L C -0.902 175.919 176.870 -0.081 0.000 0.993 208 L CA 0.225 54.878 54.840 -0.312 0.000 0.819 208 L CB 0.893 42.605 42.059 -0.578 0.000 1.294 208 L HN 0.647 nan 8.230 nan 0.000 0.414 209 W N 5.131 126.442 121.300 0.019 0.000 5.361 209 W HA -0.211 4.448 4.660 -0.001 0.000 0.385 209 W C -0.657 175.908 176.519 0.076 0.000 1.458 209 W CA -0.147 57.228 57.345 0.051 0.000 0.922 209 W CB -1.804 27.693 29.460 0.062 0.000 2.606 209 W HN 0.208 nan 8.180 nan 0.000 1.450 210 I N 0.894 121.603 120.570 0.233 0.000 2.337 210 I HA 0.081 4.251 4.170 -0.001 0.000 0.291 210 I C 1.264 177.498 176.117 0.194 0.000 1.046 210 I CA -0.371 61.055 61.300 0.211 0.000 1.324 210 I CB 0.512 38.621 38.000 0.181 0.000 1.409 210 I HN -0.222 nan 8.210 nan 0.000 0.494 211 S N 7.310 123.122 115.700 0.187 0.000 2.533 211 S HA 0.092 4.561 4.470 -0.001 0.000 0.282 211 S C 0.876 175.574 174.600 0.164 0.000 1.304 211 S CA -0.163 58.128 58.200 0.152 0.000 1.063 211 S CB 0.085 63.347 63.200 0.104 0.000 0.881 211 S HN 0.663 nan 8.310 nan 0.000 0.493 212 N N 1.032 119.818 118.700 0.143 0.000 2.863 212 N HA -0.178 4.562 4.740 -0.001 0.000 0.245 212 N C 1.097 176.677 175.510 0.116 0.000 1.001 212 N CA 1.152 54.283 53.050 0.135 0.000 0.901 212 N CB -1.632 36.975 38.487 0.199 0.000 1.124 212 N HN 0.764 nan 8.380 nan 0.000 0.582 213 G N 0.164 109.046 108.800 0.136 0.000 2.505 213 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.220 213 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.220 213 G C 1.414 176.329 174.900 0.025 0.000 1.145 213 G CA 1.460 46.661 45.100 0.169 0.000 0.761 213 G HN 0.557 nan 8.290 nan 0.000 0.571 214 G N -0.453 108.223 108.800 -0.206 0.000 2.985 214 G HA2 0.283 4.242 3.960 -0.001 0.000 0.209 214 G HA3 0.283 4.242 3.960 -0.001 0.000 0.209 214 G C 1.457 176.062 174.900 -0.491 0.000 1.165 214 G CA 0.130 44.748 45.100 -0.803 0.000 0.776 214 G HN 0.434 nan 8.290 nan 0.000 0.541 215 L N -0.321 120.797 121.223 -0.175 0.000 2.609 215 L HA 0.391 4.730 4.340 -0.001 0.000 0.230 215 L C 1.563 178.421 176.870 -0.020 0.000 1.064 215 L CA -0.114 54.681 54.840 -0.075 0.000 0.873 215 L CB 0.170 42.212 42.059 -0.028 0.000 1.139 215 L HN 0.134 nan 8.230 nan 0.000 0.490 216 A N 0.173 122.962 122.820 -0.052 0.000 2.371 216 A HA 0.161 4.480 4.320 -0.001 0.000 0.257 216 A C 0.182 177.544 177.584 -0.369 0.000 1.089 216 A CA -0.139 51.769 52.037 -0.216 0.000 0.794 216 A CB 0.277 19.035 19.000 -0.402 0.000 1.029 216 A HN 0.139 nan 8.150 nan 0.000 0.488 217 D N 0.145 120.351 120.400 -0.323 0.000 2.417 217 D HA 0.163 4.802 4.640 -0.001 0.000 0.207 217 D C -0.106 175.951 176.300 -0.405 0.000 1.075 217 D CA 0.648 54.482 54.000 -0.277 0.000 0.851 217 D CB 0.435 41.175 40.800 -0.099 0.000 0.976 217 D HN 0.335 nan 8.370 nan 0.000 0.505 218 I N 1.177 121.443 120.570 -0.507 0.000 2.436 218 I HA 0.310 4.479 4.170 -0.001 0.000 0.289 218 I C -0.763 175.044 176.117 -0.518 0.000 1.010 218 I CA -0.636 60.417 61.300 -0.412 0.000 1.098 218 I CB 1.053 38.919 38.000 -0.224 0.000 1.266 218 I HN -0.288 nan 8.210 nan 0.000 0.434 219 F N 2.972 122.915 119.950 -0.012 0.000 2.507 219 F HA 0.391 4.917 4.527 -0.001 0.000 0.325 219 F C 0.694 176.456 175.800 -0.062 0.000 1.116 219 F CA -0.813 57.205 58.000 0.029 0.000 0.930 219 F CB 1.777 40.853 39.000 0.127 0.000 1.146 219 F HN 0.236 nan 8.300 nan 0.000 0.447 220 T N 3.635 118.237 114.554 0.081 0.000 2.723 220 T HA 0.469 4.819 4.350 -0.001 0.000 0.297 220 T C -0.206 174.276 174.700 -0.364 0.000 0.925 220 T CA -0.401 61.604 62.100 -0.158 0.000 1.030 220 T CB 0.358 69.156 68.868 -0.116 0.000 0.905 220 T HN 0.282 nan 8.240 nan 0.000 0.502 221 V N 4.664 124.308 119.914 -0.451 0.000 2.495 221 V HA 0.530 4.649 4.120 -0.001 0.000 0.298 221 V C -0.620 175.125 176.094 -0.582 0.000 1.031 221 V CA -1.028 61.006 62.300 -0.444 0.000 0.871 221 V CB 1.185 32.747 31.823 -0.436 0.000 0.988 221 V HN 0.745 nan 8.190 nan 0.000 0.432 222 F N 2.982 122.822 119.950 -0.184 0.000 2.411 222 F HA 0.813 5.340 4.527 -0.001 0.000 0.352 222 F C 0.466 176.220 175.800 -0.077 0.000 1.123 222 F CA -0.357 57.571 58.000 -0.120 0.000 1.044 222 F CB 1.767 40.662 39.000 -0.175 0.000 1.135 222 F HN 0.607 nan 8.300 nan 0.000 0.461 223 A N 3.199 126.102 122.820 0.138 0.000 2.515 223 A HA 0.666 4.985 4.320 -0.001 0.000 0.298 223 A C -1.008 176.650 177.584 0.123 0.000 1.059 223 A CA -1.109 50.979 52.037 0.085 0.000 0.698 223 A CB 1.434 20.435 19.000 0.003 0.000 1.289 223 A HN 0.475 nan 8.150 nan 0.000 0.404 224 K N 2.089 122.539 120.400 0.082 0.000 2.379 224 K HA 0.387 4.706 4.320 -0.001 0.000 0.284 224 K C 0.163 176.823 176.600 0.100 0.000 1.044 224 K CA 0.331 56.665 56.287 0.079 0.000 0.974 224 K CB 0.638 33.169 32.500 0.053 0.000 0.962 224 K HN 0.908 nan 8.250 nan 0.000 0.474 225 T N -0.189 114.434 114.554 0.114 0.000 2.907 225 T HA 0.510 4.859 4.350 -0.001 0.000 0.292 225 T C -2.790 171.978 174.700 0.113 0.000 1.043 225 T CA -2.451 59.745 62.100 0.159 0.000 1.003 225 T CB 2.100 71.104 68.868 0.227 0.000 1.084 225 T HN 0.195 nan 8.240 nan 0.000 0.483 226 P HA 0.351 nan 4.420 nan 0.000 0.271 226 P C -0.913 176.432 177.300 0.076 0.000 1.220 226 P CA -0.345 62.798 63.100 0.071 0.000 0.768 226 P CB 0.796 32.527 31.700 0.052 0.000 0.848 227 V N 3.930 123.871 119.914 0.046 0.000 2.531 227 V HA 0.254 4.373 4.120 -0.001 0.000 0.301 227 V C 0.387 176.494 176.094 0.021 0.000 1.034 227 V CA -0.382 61.940 62.300 0.038 0.000 0.865 227 V CB 1.922 33.759 31.823 0.023 0.000 0.995 227 V HN 0.455 nan 8.190 nan 0.000 0.424 228 T N 3.397 117.962 114.554 0.019 0.000 2.749 228 T HA 0.166 4.515 4.350 -0.001 0.000 0.295 228 T C -0.089 174.614 174.700 0.005 0.000 0.936 228 T CA 0.004 62.109 62.100 0.009 0.000 1.060 228 T CB 0.546 69.418 68.868 0.007 0.000 0.904 228 T HN 0.848 nan 8.240 nan 0.000 0.500 229 D N 4.035 124.435 120.400 0.001 0.000 2.450 229 D HA 0.108 4.748 4.640 -0.001 0.000 0.247 229 D C -1.300 175.000 176.300 -0.001 0.000 1.162 229 D CA -1.565 52.435 54.000 -0.001 0.000 0.879 229 D CB 1.033 41.831 40.800 -0.003 0.000 1.163 229 D HN 0.148 nan 8.370 nan 0.000 0.472 230 P HA -0.114 nan 4.420 nan 0.000 0.218 230 P C 0.445 177.744 177.300 -0.001 0.000 1.148 230 P CA 1.102 64.202 63.100 -0.000 0.000 0.822 230 P CB 0.208 31.908 31.700 0.000 0.000 0.784 231 A N -0.867 121.952 122.820 -0.002 0.000 1.887 231 A HA -0.029 4.290 4.320 -0.001 0.000 0.212 231 A C 2.099 179.681 177.584 -0.003 0.000 1.198 231 A CA 1.948 53.984 52.037 -0.002 0.000 0.628 231 A CB -1.351 17.647 19.000 -0.003 0.000 0.847 231 A HN 0.311 nan 8.150 nan 0.000 0.449 232 T N -5.480 109.072 114.554 -0.003 0.000 2.990 232 T HA 0.415 4.764 4.350 -0.001 0.000 0.250 232 T C 1.484 176.182 174.700 -0.004 0.000 1.041 232 T CA 1.155 63.253 62.100 -0.004 0.000 1.010 232 T CB 0.386 69.252 68.868 -0.004 0.000 1.003 232 T HN 1.671 nan 8.240 nan 0.000 0.499 233 G N 1.832 110.630 108.800 -0.004 0.000 2.189 233 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.267 233 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.267 233 G C 0.429 175.326 174.900 -0.004 0.000 0.975 233 G CA 0.085 45.183 45.100 -0.004 0.000 0.644 233 G HN 1.298 nan 8.290 nan 0.000 0.537 234 A N -0.263 122.555 122.820 -0.004 0.000 2.511 234 A HA 0.557 4.876 4.320 -0.001 0.000 0.242 234 A C 0.590 178.173 177.584 -0.002 0.000 1.069 234 A CA 0.668 52.703 52.037 -0.004 0.000 0.763 234 A CB 0.723 19.720 19.000 -0.005 0.000 1.001 234 A HN 1.157 nan 8.150 nan 0.000 0.498 235 V N 4.692 124.605 119.914 -0.001 0.000 2.394 235 V HA 0.390 4.509 4.120 -0.001 0.000 0.282 235 V C 0.069 176.164 176.094 0.003 0.000 1.031 235 V CA -0.450 61.851 62.300 0.003 0.000 0.881 235 V CB 1.199 33.024 31.823 0.003 0.000 0.982 235 V HN 0.920 nan 8.190 nan 0.000 0.451 236 K N 3.045 123.448 120.400 0.005 0.000 2.395 236 K HA 0.547 4.867 4.320 -0.001 0.000 0.247 236 K C -0.832 175.774 176.600 0.010 0.000 0.973 236 K CA -0.890 55.398 56.287 0.002 0.000 0.828 236 K CB 2.389 34.886 32.500 -0.005 0.000 1.272 236 K HN 0.480 nan 8.250 nan 0.000 0.439 237 E N 2.346 122.551 120.200 0.009 0.000 2.194 237 E HA 0.226 4.576 4.350 -0.001 0.000 0.284 237 E C -0.524 176.082 176.600 0.011 0.000 1.035 237 E CA 0.023 56.434 56.400 0.018 0.000 0.836 237 E CB 1.180 30.890 29.700 0.017 0.000 1.070 237 E HN 0.296 nan 8.360 nan 0.000 0.401 238 K N 2.250 122.663 120.400 0.022 0.000 2.482 238 K HA 0.502 4.822 4.320 -0.001 0.000 0.257 238 K C 0.031 176.656 176.600 0.042 0.000 0.969 238 K CA -0.921 55.376 56.287 0.017 0.000 0.842 238 K CB 1.939 34.443 32.500 0.006 0.000 1.359 238 K HN 0.339 nan 8.250 nan 0.000 0.441 239 I N 1.524 122.130 120.570 0.061 0.000 2.575 239 I HA 0.094 4.263 4.170 -0.001 0.000 0.285 239 I C 0.072 176.217 176.117 0.047 0.000 1.085 239 I CA 0.393 61.750 61.300 0.095 0.000 1.403 239 I CB 1.002 39.103 38.000 0.167 0.000 1.409 239 I HN 0.443 nan 8.210 nan 0.000 0.557 240 T N 4.825 119.381 114.554 0.002 0.000 2.876 240 T HA 0.610 4.960 4.350 -0.001 0.000 0.289 240 T C -0.356 174.147 174.700 -0.327 0.000 1.014 240 T CA -0.539 61.430 62.100 -0.218 0.000 0.986 240 T CB 1.828 70.458 68.868 -0.397 0.000 1.021 240 T HN 0.681 nan 8.240 nan 0.000 0.458 241 A N 2.420 124.945 122.820 -0.493 0.000 2.306 241 A HA 0.866 5.185 4.320 -0.001 0.000 0.314 241 A C -1.155 175.935 177.584 -0.823 0.000 1.164 241 A CA -0.432 51.226 52.037 -0.633 0.000 0.822 241 A CB 0.184 18.885 19.000 -0.499 0.000 1.130 241 A HN 0.700 nan 8.150 nan 0.000 0.496 242 F N 0.682 120.369 119.950 -0.439 0.000 2.576 242 F HA 0.458 4.984 4.527 -0.001 0.000 0.313 242 F C -0.062 175.596 175.800 -0.237 0.000 1.078 242 F CA -0.757 57.076 58.000 -0.279 0.000 0.921 242 F CB 2.364 41.214 39.000 -0.250 0.000 1.232 242 F HN 0.274 nan 8.300 nan 0.000 0.459 243 V N 3.981 123.920 119.914 0.041 0.000 2.385 243 V HA 0.403 4.522 4.120 -0.001 0.000 0.269 243 V C -0.404 175.726 176.094 0.061 0.000 1.043 243 V CA -0.511 61.760 62.300 -0.048 0.000 0.906 243 V CB 0.953 32.653 31.823 -0.204 0.000 0.995 243 V HN 0.499 nan 8.190 nan 0.000 0.467 244 V N 5.084 125.028 119.914 0.050 0.000 2.487 244 V HA 0.409 4.528 4.120 -0.001 0.000 0.298 244 V C -0.033 176.020 176.094 -0.069 0.000 1.028 244 V CA -0.813 61.568 62.300 0.134 0.000 0.860 244 V CB 1.927 33.884 31.823 0.224 0.000 0.991 244 V HN 0.889 nan 8.190 nan 0.000 0.427 245 E N 3.105 122.881 120.200 -0.708 0.000 2.249 245 E HA 0.343 4.693 4.350 -0.001 0.000 0.280 245 E C 0.750 177.199 176.600 -0.253 0.000 1.016 245 E CA -0.557 55.467 56.400 -0.626 0.000 0.830 245 E CB 1.810 30.910 29.700 -1.000 0.000 1.081 245 E HN 0.513 nan 8.360 nan 0.000 0.395 246 R N 2.709 123.253 120.500 0.073 0.000 2.117 246 R HA -0.154 4.185 4.340 -0.001 0.000 0.243 246 R C 1.740 178.105 176.300 0.109 0.000 1.143 246 R CA 1.796 58.042 56.100 0.243 0.000 0.968 246 R CB -0.378 30.078 30.300 0.260 0.000 0.863 246 R HN 0.719 nan 8.270 nan 0.000 0.444 247 G N -0.704 108.109 108.800 0.022 0.000 2.776 247 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.209 247 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.209 247 G C 0.754 175.790 174.900 0.226 0.000 1.145 247 G CA -0.155 44.998 45.100 0.088 0.000 0.791 247 G HN 0.236 nan 8.290 nan 0.000 0.530 248 F N 1.318 121.336 119.950 0.113 0.000 2.451 248 F HA 0.229 4.755 4.527 -0.001 0.000 0.299 248 F C 1.858 177.690 175.800 0.054 0.000 1.101 248 F CA 0.159 58.208 58.000 0.083 0.000 1.436 248 F CB -0.803 38.255 39.000 0.098 0.000 1.074 248 F HN 0.296 nan 8.300 nan 0.000 0.553 249 G N -0.984 107.958 108.800 0.236 0.000 2.733 249 G HA2 0.317 4.276 3.960 -0.001 0.000 0.686 249 G HA3 0.317 4.276 3.960 -0.001 0.000 0.686 249 G C 0.667 175.635 174.900 0.114 0.000 1.373 249 G CA -0.320 44.860 45.100 0.134 0.000 0.838 249 G HN 1.136 nan 8.290 nan 0.000 0.588 250 G N -1.176 107.661 108.800 0.062 0.000 2.159 250 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.256 250 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.256 250 G C 0.378 175.283 174.900 0.008 0.000 0.977 250 G CA 0.756 45.881 45.100 0.041 0.000 0.652 250 G HN 1.625 nan 8.290 nan 0.000 0.531 251 I N 2.167 122.729 120.570 -0.014 0.000 2.339 251 I HA 0.549 4.718 4.170 -0.001 0.000 0.290 251 I C 0.711 176.766 176.117 -0.105 0.000 0.994 251 I CA -0.112 61.101 61.300 -0.146 0.000 1.191 251 I CB 1.741 39.647 38.000 -0.157 0.000 1.343 251 I HN 0.265 nan 8.210 nan 0.000 0.458 252 T N 1.429 115.905 114.554 -0.130 0.000 2.888 252 T HA 0.737 5.086 4.350 -0.001 0.000 0.288 252 T C -0.763 173.927 174.700 -0.017 0.000 1.063 252 T CA -0.870 61.178 62.100 -0.087 0.000 1.010 252 T CB 1.926 70.764 68.868 -0.049 0.000 1.214 252 T HN 0.697 nan 8.240 nan 0.000 0.533 253 H N -1.851 117.268 119.070 0.081 0.000 2.928 253 H HA 0.791 5.347 4.556 -0.001 0.000 0.371 253 H C 0.280 175.708 175.328 0.167 0.000 1.186 253 H CA -1.073 55.001 56.048 0.044 0.000 1.134 253 H CB 0.864 30.632 29.762 0.010 0.000 1.824 253 H HN 0.962 nan 8.280 nan 0.000 0.554 254 G N 0.085 109.062 108.800 0.296 0.000 2.588 254 G HA2 0.428 4.387 3.960 -0.001 0.000 0.281 254 G HA3 0.428 4.387 3.960 -0.001 0.000 0.281 254 G C -2.347 172.709 174.900 0.261 0.000 1.236 254 G CA -1.641 43.631 45.100 0.287 0.000 0.969 254 G HN 0.679 nan 8.290 nan 0.000 0.504 255 P HA 0.277 nan 4.420 nan 0.000 0.274 255 P C -2.655 174.720 177.300 0.125 0.000 1.237 255 P CA -1.321 61.868 63.100 0.148 0.000 0.793 255 P CB 0.176 31.939 31.700 0.105 0.000 0.977 256 P HA 0.088 nan 4.420 nan 0.000 0.267 256 P C -0.016 177.337 177.300 0.089 0.000 1.205 256 P CA 0.439 63.585 63.100 0.077 0.000 0.765 256 P CB 0.239 31.965 31.700 0.044 0.000 0.828 257 E N 2.776 123.043 120.200 0.112 0.000 2.354 257 E HA 0.105 4.455 4.350 -0.001 0.000 0.269 257 E C 0.052 176.700 176.600 0.080 0.000 1.036 257 E CA -0.126 56.349 56.400 0.125 0.000 0.876 257 E CB 0.880 30.698 29.700 0.197 0.000 1.009 257 E HN 0.341 nan 8.360 nan 0.000 0.416 258 K N 2.953 123.394 120.400 0.068 0.000 2.234 258 K HA 0.223 4.542 4.320 -0.001 0.000 0.282 258 K C 0.260 176.873 176.600 0.022 0.000 1.039 258 K CA -0.163 56.149 56.287 0.041 0.000 0.928 258 K CB 0.953 33.477 32.500 0.039 0.000 1.039 258 K HN 0.489 nan 8.250 nan 0.000 0.470 259 K N 1.554 121.957 120.400 0.004 0.000 2.499 259 K HA 0.257 4.576 4.320 -0.001 0.000 0.277 259 K C 0.678 177.266 176.600 -0.020 0.000 1.025 259 K CA -0.929 55.342 56.287 -0.027 0.000 0.900 259 K CB 1.023 33.486 32.500 -0.063 0.000 1.494 259 K HN 0.349 nan 8.250 nan 0.000 0.442 260 M N 0.221 119.801 119.600 -0.034 0.000 2.132 260 M HA -0.002 4.477 4.480 -0.001 0.000 0.263 260 M C 0.345 176.649 176.300 0.007 0.000 1.065 260 M CA 2.263 57.556 55.300 -0.011 0.000 1.122 260 M CB -0.008 32.584 32.600 -0.012 0.000 1.365 260 M HN 0.881 nan 8.290 nan 0.000 0.411 261 G N -0.746 108.058 108.800 0.005 0.000 2.815 261 G HA2 0.424 4.383 3.960 -0.001 0.000 0.305 261 G HA3 0.424 4.383 3.960 -0.001 0.000 0.305 261 G C -0.107 174.818 174.900 0.041 0.000 1.277 261 G CA -0.353 44.768 45.100 0.036 0.000 0.795 261 G HN 0.787 nan 8.290 nan 0.000 0.528 262 I N -2.019 118.604 120.570 0.087 0.000 3.906 262 I HA -0.290 3.879 4.170 -0.001 0.000 0.126 262 I C 1.017 177.183 176.117 0.081 0.000 1.081 262 I CA 1.187 62.555 61.300 0.113 0.000 2.733 262 I CB -1.239 36.850 38.000 0.147 0.000 1.518 262 I HN 0.483 nan 8.210 nan 0.000 0.341 263 K N 1.856 122.295 120.400 0.064 0.000 2.217 263 K HA 0.081 4.400 4.320 -0.001 0.000 0.202 263 K C 2.259 178.889 176.600 0.050 0.000 1.051 263 K CA 1.221 57.536 56.287 0.046 0.000 0.952 263 K CB -0.008 32.513 32.500 0.034 0.000 0.736 263 K HN 0.757 nan 8.250 nan 0.000 0.453 264 A N 1.714 124.574 122.820 0.067 0.000 2.067 264 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 264 A C 1.165 178.791 177.584 0.070 0.000 1.158 264 A CA 0.827 52.904 52.037 0.067 0.000 0.661 264 A CB -0.339 18.721 19.000 0.099 0.000 0.801 264 A HN 0.317 nan 8.150 nan 0.000 0.452 265 S N 0.844 116.599 115.700 0.091 0.000 2.523 265 S HA 0.196 4.666 4.470 -0.001 0.000 0.275 265 S C -0.051 174.590 174.600 0.067 0.000 1.281 265 S CA -0.744 57.516 58.200 0.100 0.000 1.050 265 S CB 0.432 63.710 63.200 0.129 0.000 0.937 265 S HN 0.456 nan 8.310 nan 0.000 0.492 266 N N 2.620 121.348 118.700 0.047 0.000 2.483 266 N HA 0.070 4.809 4.740 -0.001 0.000 0.264 266 N C -1.071 174.483 175.510 0.074 0.000 1.197 266 N CA 0.305 53.373 53.050 0.030 0.000 0.927 266 N CB 0.493 38.970 38.487 -0.016 0.000 1.065 266 N HN 0.711 nan 8.380 nan 0.000 0.461 267 T N 1.962 116.566 114.554 0.084 0.000 2.881 267 T HA 0.678 5.027 4.350 -0.001 0.000 0.291 267 T C -0.883 173.901 174.700 0.139 0.000 0.990 267 T CA -0.620 61.560 62.100 0.133 0.000 0.976 267 T CB 1.422 70.379 68.868 0.150 0.000 0.970 267 T HN 0.676 nan 8.240 nan 0.000 0.438 268 A N 2.673 125.572 122.820 0.131 0.000 2.594 268 A HA 0.704 5.023 4.320 -0.001 0.000 0.295 268 A C -0.689 176.903 177.584 0.014 0.000 1.071 268 A CA -0.936 51.154 52.037 0.088 0.000 0.685 268 A CB 1.198 20.235 19.000 0.062 0.000 1.285 268 A HN 0.729 nan 8.150 nan 0.000 0.405 269 E N 0.184 120.333 120.200 -0.085 0.000 2.392 269 E HA 0.376 4.725 4.350 -0.001 0.000 0.264 269 E C -0.831 175.477 176.600 -0.486 0.000 1.024 269 E CA 0.116 56.296 56.400 -0.367 0.000 0.903 269 E CB 1.031 30.414 29.700 -0.529 0.000 0.963 269 E HN 0.362 nan 8.360 nan 0.000 0.432 270 V N 4.331 123.873 119.914 -0.620 0.000 2.487 270 V HA 0.329 4.449 4.120 -0.001 0.000 0.298 270 V C -0.817 174.720 176.094 -0.929 0.000 1.028 270 V CA -0.730 61.182 62.300 -0.647 0.000 0.860 270 V CB 0.814 32.346 31.823 -0.485 0.000 0.991 270 V HN 0.453 nan 8.190 nan 0.000 0.427 271 F N 4.119 123.771 119.950 -0.496 0.000 2.436 271 F HA 0.689 5.216 4.527 -0.001 0.000 0.340 271 F C -0.357 175.041 175.800 -0.670 0.000 1.113 271 F CA -0.804 56.954 58.000 -0.403 0.000 1.022 271 F CB 1.373 40.246 39.000 -0.210 0.000 1.128 271 F HN 0.292 nan 8.300 nan 0.000 0.466 272 F N 1.752 121.733 119.950 0.051 0.000 2.382 272 F HA 0.293 4.820 4.527 -0.001 0.000 0.361 272 F C -0.363 175.446 175.800 0.015 0.000 1.109 272 F CA -0.947 57.044 58.000 -0.016 0.000 1.031 272 F CB 1.137 40.091 39.000 -0.076 0.000 1.234 272 F HN 0.294 nan 8.300 nan 0.000 0.445 273 D N 2.693 123.170 120.400 0.128 0.000 2.453 273 D HA 0.373 5.013 4.640 -0.001 0.000 0.238 273 D C 0.735 177.076 176.300 0.068 0.000 1.088 273 D CA -0.253 53.793 54.000 0.077 0.000 0.854 273 D CB 1.222 42.037 40.800 0.026 0.000 1.076 273 D HN 0.813 nan 8.370 nan 0.000 0.533 274 G N 3.120 111.960 108.800 0.066 0.000 2.366 274 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.299 274 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.299 274 G C 0.250 175.183 174.900 0.055 0.000 1.020 274 G CA 0.406 45.536 45.100 0.051 0.000 1.026 274 G HN 0.495 nan 8.290 nan 0.000 0.512 275 V N 0.893 120.856 119.914 0.083 0.000 2.455 275 V HA 0.263 4.382 4.120 -0.001 0.000 0.273 275 V C 1.228 177.352 176.094 0.050 0.000 1.045 275 V CA -0.460 61.901 62.300 0.102 0.000 0.976 275 V CB 1.358 33.299 31.823 0.197 0.000 0.993 275 V HN 0.533 nan 8.190 nan 0.000 0.475 276 R N 4.524 125.020 120.500 -0.006 0.000 2.242 276 R HA 0.410 4.750 4.340 -0.001 0.000 0.334 276 R C -1.291 174.897 176.300 -0.185 0.000 1.071 276 R CA -0.232 55.804 56.100 -0.106 0.000 0.922 276 R CB 0.798 30.905 30.300 -0.322 0.000 1.023 276 R HN 0.556 nan 8.270 nan 0.000 0.458 277 V N 8.128 128.004 119.914 -0.064 0.000 2.357 277 V HA 0.292 4.412 4.120 -0.001 0.000 0.284 277 V C -2.065 174.051 176.094 0.037 0.000 1.018 277 V CA -2.370 59.873 62.300 -0.094 0.000 0.841 277 V CB 1.539 33.332 31.823 -0.050 0.000 0.991 277 V HN 0.783 nan 8.190 nan 0.000 0.437 278 P HA 0.037 nan 4.420 nan 0.000 0.263 278 P C 0.935 178.379 177.300 0.240 0.000 1.175 278 P CA 0.496 63.642 63.100 0.077 0.000 0.761 278 P CB 0.573 32.286 31.700 0.021 0.000 0.794 279 S N 2.034 117.897 115.700 0.273 0.000 2.419 279 S HA -0.165 4.304 4.470 -0.001 0.000 0.235 279 S C 1.400 176.149 174.600 0.248 0.000 1.019 279 S CA 1.161 59.571 58.200 0.350 0.000 0.982 279 S CB -0.487 62.854 63.200 0.236 0.000 0.789 279 S HN 0.655 nan 8.310 nan 0.000 0.490 280 E N 0.856 121.168 120.200 0.187 0.000 2.502 280 E HA 0.025 4.374 4.350 -0.001 0.000 0.194 280 E C 0.298 177.003 176.600 0.175 0.000 1.062 280 E CA 0.417 56.908 56.400 0.151 0.000 0.867 280 E CB -0.402 29.374 29.700 0.127 0.000 0.888 280 E HN 0.342 nan 8.360 nan 0.000 0.510 281 N N 0.487 119.322 118.700 0.224 0.000 2.280 281 N HA 0.064 4.803 4.740 -0.001 0.000 0.192 281 N C -0.389 175.213 175.510 0.153 0.000 1.109 281 N CA -0.024 53.175 53.050 0.248 0.000 0.855 281 N CB 0.674 39.376 38.487 0.358 0.000 0.974 281 N HN -0.062 nan 8.380 nan 0.000 0.482 282 V N 1.702 121.640 119.914 0.040 0.000 2.617 282 V HA -0.069 4.051 4.120 -0.001 0.000 0.304 282 V C 0.125 176.105 176.094 -0.191 0.000 1.040 282 V CA -0.059 62.068 62.300 -0.288 0.000 1.149 282 V CB 0.442 32.079 31.823 -0.310 0.000 0.914 282 V HN 0.130 nan 8.190 nan 0.000 0.487 283 L N 6.500 127.550 121.223 -0.288 0.000 2.280 283 L HA 0.807 5.146 4.340 -0.001 0.000 0.287 283 L C 0.539 177.299 176.870 -0.184 0.000 1.023 283 L CA 1.499 56.251 54.840 -0.147 0.000 0.819 283 L CB 0.442 42.424 42.059 -0.129 0.000 1.212 283 L HN 1.006 nan 8.230 nan 0.000 0.420 284 G N 4.019 112.760 108.800 -0.099 0.000 2.553 284 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.242 284 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.242 284 G C -0.543 174.265 174.900 -0.153 0.000 1.277 284 G CA -0.391 44.612 45.100 -0.162 0.000 0.910 284 G HN 0.636 nan 8.290 nan 0.000 0.576 285 E N -0.101 120.001 120.200 -0.163 0.000 2.231 285 E HA 0.483 4.832 4.350 -0.001 0.000 0.277 285 E C 0.707 177.218 176.600 -0.148 0.000 0.999 285 E CA -0.634 55.696 56.400 -0.117 0.000 0.827 285 E CB 1.606 31.258 29.700 -0.079 0.000 1.101 285 E HN 0.623 nan 8.360 nan 0.000 0.393 286 V N 2.301 122.142 119.914 -0.123 0.000 2.625 286 V HA 0.066 4.185 4.120 -0.001 0.000 0.305 286 V C 1.600 177.650 176.094 -0.075 0.000 1.055 286 V CA 1.827 64.056 62.300 -0.118 0.000 1.209 286 V CB -0.018 31.792 31.823 -0.021 0.000 0.877 286 V HN 1.033 nan 8.190 nan 0.000 0.489 287 G N 4.224 112.977 108.800 -0.078 0.000 2.205 287 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.261 287 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.261 287 G C 0.746 175.630 174.900 -0.027 0.000 0.980 287 G CA 0.393 45.473 45.100 -0.033 0.000 0.632 287 G HN 0.764 nan 8.290 nan 0.000 0.533 288 S N 0.457 116.121 115.700 -0.059 0.000 2.583 288 S HA 0.411 4.881 4.470 -0.001 0.000 0.239 288 S C 2.029 176.604 174.600 -0.042 0.000 0.966 288 S CA 0.872 59.044 58.200 -0.045 0.000 0.973 288 S CB 0.487 63.635 63.200 -0.087 0.000 0.794 288 S HN 0.994 nan 8.310 nan 0.000 0.463 289 G N 0.687 109.484 108.800 -0.005 0.000 2.443 289 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.219 289 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.219 289 G C 1.040 176.027 174.900 0.145 0.000 1.131 289 G CA 0.302 45.452 45.100 0.083 0.000 0.775 289 G HN 0.555 nan 8.290 nan 0.000 0.547 290 F N 1.463 121.400 119.950 -0.022 0.000 2.084 290 F HA 0.015 4.541 4.527 -0.001 0.000 0.296 290 F C 2.618 178.366 175.800 -0.085 0.000 1.111 290 F CA 2.039 59.991 58.000 -0.080 0.000 1.224 290 F CB -0.078 38.879 39.000 -0.071 0.000 0.991 290 F HN 0.118 nan 8.300 nan 0.000 0.471 291 K N 0.153 120.626 120.400 0.121 0.000 2.063 291 K HA -0.173 4.146 4.320 -0.001 0.000 0.208 291 K C 1.927 178.534 176.600 0.012 0.000 1.048 291 K CA 1.956 58.267 56.287 0.039 0.000 0.928 291 K CB -0.477 32.088 32.500 0.108 0.000 0.713 291 K HN 0.262 nan 8.250 nan 0.000 0.442 292 V N 1.430 121.307 119.914 -0.061 0.000 2.287 292 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 292 V C 2.542 178.747 176.094 0.184 0.000 1.053 292 V CA 2.059 64.329 62.300 -0.051 0.000 1.027 292 V CB -0.876 30.866 31.823 -0.136 0.000 0.646 292 V HN 0.556 nan 8.190 nan 0.000 0.447 293 A N -0.503 122.301 122.820 -0.027 0.000 1.883 293 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 293 A C 2.208 179.689 177.584 -0.172 0.000 1.186 293 A CA 2.309 54.179 52.037 -0.278 0.000 0.624 293 A CB -0.501 17.902 19.000 -0.995 0.000 0.822 293 A HN 0.423 nan 8.150 nan 0.000 0.444 294 M N -0.990 118.395 119.600 -0.358 0.000 2.175 294 M HA -0.066 4.413 4.480 -0.001 0.000 0.264 294 M C 1.970 178.135 176.300 -0.225 0.000 1.063 294 M CA 1.256 56.321 55.300 -0.392 0.000 1.119 294 M CB -1.598 30.680 32.600 -0.536 0.000 1.377 294 M HN 0.500 nan 8.290 nan 0.000 0.415 295 H N -0.065 118.999 119.070 -0.010 0.000 2.357 295 H HA 0.029 4.584 4.556 -0.001 0.000 0.301 295 H C 2.265 177.647 175.328 0.091 0.000 1.082 295 H CA 1.459 57.569 56.048 0.102 0.000 1.342 295 H CB -0.207 29.769 29.762 0.356 0.000 1.389 295 H HN 0.329 nan 8.280 nan 0.000 0.511 296 I N 0.613 121.340 120.570 0.262 0.000 2.127 296 I HA -0.300 3.869 4.170 -0.001 0.000 0.241 296 I C 2.524 178.605 176.117 -0.059 0.000 1.075 296 I CA 1.077 62.454 61.300 0.128 0.000 1.334 296 I CB -0.331 37.816 38.000 0.246 0.000 1.040 296 I HN 0.102 nan 8.210 nan 0.000 0.405 297 L N 0.255 121.386 121.223 -0.154 0.000 2.017 297 L HA -0.247 4.092 4.340 -0.001 0.000 0.208 297 L C 2.392 179.182 176.870 -0.133 0.000 1.073 297 L CA 1.646 56.337 54.840 -0.249 0.000 0.745 297 L CB -0.829 41.050 42.059 -0.300 0.000 0.894 297 L HN 0.335 nan 8.230 nan 0.000 0.432 298 N N 0.541 119.186 118.700 -0.091 0.000 2.043 298 N HA -0.272 4.467 4.740 -0.001 0.000 0.193 298 N C 1.727 177.351 175.510 0.191 0.000 1.037 298 N CA 1.736 54.788 53.050 0.003 0.000 0.851 298 N CB -0.283 38.161 38.487 -0.071 0.000 1.027 298 N HN 0.225 nan 8.380 nan 0.000 0.422 299 N N -0.202 118.612 118.700 0.190 0.000 2.104 299 N HA -0.115 4.624 4.740 -0.001 0.000 0.190 299 N C 1.597 177.242 175.510 0.224 0.000 1.024 299 N CA 1.595 54.795 53.050 0.250 0.000 0.853 299 N CB -0.612 37.958 38.487 0.138 0.000 1.008 299 N HN 0.415 nan 8.380 nan 0.000 0.424 300 G N 0.436 109.255 108.800 0.031 0.000 2.598 300 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.215 300 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.215 300 G C 1.724 176.530 174.900 -0.157 0.000 1.131 300 G CA 0.051 45.082 45.100 -0.114 0.000 0.785 300 G HN 0.347 nan 8.290 nan 0.000 0.539 301 R N 0.183 120.686 120.500 0.005 0.000 2.091 301 R HA -0.137 4.203 4.340 -0.001 0.000 0.238 301 R C 2.324 178.636 176.300 0.019 0.000 1.136 301 R CA 1.874 57.982 56.100 0.012 0.000 0.959 301 R CB -0.502 29.849 30.300 0.085 0.000 0.856 301 R HN 0.533 nan 8.270 nan 0.000 0.437 302 F N -1.096 118.869 119.950 0.025 0.000 2.307 302 F HA 0.081 4.607 4.527 -0.001 0.000 0.301 302 F C 1.755 177.549 175.800 -0.011 0.000 1.076 302 F CA 0.967 58.967 58.000 0.000 0.000 1.383 302 F CB -0.955 38.011 39.000 -0.056 0.000 1.055 302 F HN -0.029 nan 8.300 nan 0.000 0.526 303 G N 0.988 109.192 108.800 -0.993 0.000 2.422 303 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.218 303 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.218 303 G C 1.660 176.378 174.900 -0.303 0.000 1.146 303 G CA 0.844 45.480 45.100 -0.772 0.000 0.769 303 G HN 0.512 nan 8.290 nan 0.000 0.547 304 M N 0.895 120.399 119.600 -0.160 0.000 2.065 304 M HA -0.018 4.462 4.480 -0.001 0.000 0.259 304 M C 2.809 179.118 176.300 0.015 0.000 1.069 304 M CA 1.994 57.302 55.300 0.013 0.000 1.110 304 M CB -0.156 32.517 32.600 0.121 0.000 1.328 304 M HN 0.263 nan 8.290 nan 0.000 0.405 305 A N 0.156 122.994 122.820 0.031 0.000 1.933 305 A HA -0.065 4.255 4.320 -0.001 0.000 0.218 305 A C 2.286 179.869 177.584 -0.001 0.000 1.175 305 A CA 1.922 53.989 52.037 0.050 0.000 0.628 305 A CB -1.180 17.878 19.000 0.098 0.000 0.814 305 A HN 0.702 nan 8.150 nan 0.000 0.444 306 A N 0.013 122.800 122.820 -0.055 0.000 1.858 306 A HA 0.116 4.435 4.320 -0.001 0.000 0.216 306 A C 2.550 180.070 177.584 -0.107 0.000 1.190 306 A CA 2.302 54.274 52.037 -0.108 0.000 0.617 306 A CB -1.168 17.712 19.000 -0.201 0.000 0.827 306 A HN 1.110 nan 8.150 nan 0.000 0.443 307 A N -0.439 122.302 122.820 -0.131 0.000 1.908 307 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 307 A C 2.156 179.663 177.584 -0.128 0.000 1.181 307 A CA 1.603 53.560 52.037 -0.134 0.000 0.627 307 A CB -0.610 18.326 19.000 -0.106 0.000 0.818 307 A HN 0.482 nan 8.150 nan 0.000 0.445 308 L N -1.033 120.120 121.223 -0.117 0.000 2.217 308 L HA -0.084 4.256 4.340 -0.001 0.000 0.211 308 L C 3.006 179.833 176.870 -0.073 0.000 1.107 308 L CA 0.634 55.392 54.840 -0.136 0.000 0.783 308 L CB -0.504 41.483 42.059 -0.121 0.000 0.919 308 L HN 0.441 nan 8.230 nan 0.000 0.442 309 A N 0.671 123.472 122.820 -0.032 0.000 1.908 309 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 309 A C 2.409 179.979 177.584 -0.024 0.000 1.181 309 A CA 1.842 53.878 52.037 -0.002 0.000 0.627 309 A CB -1.189 17.836 19.000 0.042 0.000 0.818 309 A HN 0.420 nan 8.150 nan 0.000 0.445 310 G N -0.988 107.783 108.800 -0.049 0.000 2.421 310 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.216 310 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.216 310 G C 1.593 176.426 174.900 -0.111 0.000 1.171 310 G CA 1.703 46.756 45.100 -0.079 0.000 0.775 310 G HN 0.427 nan 8.290 nan 0.000 0.543 311 T N 1.524 116.002 114.554 -0.128 0.000 2.624 311 T HA -0.228 4.121 4.350 -0.001 0.000 0.268 311 T C 2.491 177.127 174.700 -0.107 0.000 1.041 311 T CA 1.774 63.791 62.100 -0.137 0.000 1.159 311 T CB -0.275 68.493 68.868 -0.167 0.000 0.863 311 T HN 0.202 nan 8.240 nan 0.000 0.434 312 M N 0.229 119.781 119.600 -0.080 0.000 2.117 312 M HA -0.080 4.399 4.480 -0.001 0.000 0.262 312 M C 2.585 178.858 176.300 -0.045 0.000 1.065 312 M CA 1.439 56.708 55.300 -0.053 0.000 1.114 312 M CB -0.386 32.200 32.600 -0.023 0.000 1.361 312 M HN 0.134 nan 8.290 nan 0.000 0.408 313 R N 0.483 120.956 120.500 -0.044 0.000 2.096 313 R HA -0.157 4.183 4.340 -0.001 0.000 0.240 313 R C 2.196 178.458 176.300 -0.063 0.000 1.139 313 R CA 1.971 58.046 56.100 -0.042 0.000 0.952 313 R CB -0.636 29.641 30.300 -0.039 0.000 0.854 313 R HN 0.450 nan 8.270 nan 0.000 0.436 314 G N 1.325 110.066 108.800 -0.098 0.000 2.421 314 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.216 314 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.216 314 G C 1.434 176.284 174.900 -0.084 0.000 1.171 314 G CA 0.634 45.662 45.100 -0.119 0.000 0.775 314 G HN 0.201 nan 8.290 nan 0.000 0.543 315 I N 1.011 121.533 120.570 -0.079 0.000 2.226 315 I HA -0.104 4.065 4.170 -0.001 0.000 0.245 315 I C 2.800 178.890 176.117 -0.045 0.000 1.100 315 I CA 0.975 62.236 61.300 -0.065 0.000 1.374 315 I CB -0.860 37.095 38.000 -0.075 0.000 1.057 315 I HN 0.179 nan 8.210 nan 0.000 0.413 316 I N 0.856 121.404 120.570 -0.037 0.000 2.286 316 I HA -0.257 3.913 4.170 -0.001 0.000 0.248 316 I C 2.745 178.851 176.117 -0.018 0.000 1.115 316 I CA 1.212 62.500 61.300 -0.020 0.000 1.392 316 I CB -0.397 37.597 38.000 -0.009 0.000 1.065 316 I HN 0.118 nan 8.210 nan 0.000 0.418 317 A N 0.819 123.623 122.820 -0.028 0.000 1.908 317 A HA -0.269 4.051 4.320 -0.001 0.000 0.218 317 A C 2.323 179.900 177.584 -0.013 0.000 1.181 317 A CA 1.880 53.901 52.037 -0.026 0.000 0.627 317 A CB -0.498 18.482 19.000 -0.035 0.000 0.818 317 A HN 0.326 nan 8.150 nan 0.000 0.445 318 K N -0.574 119.817 120.400 -0.015 0.000 2.057 318 K HA -0.049 4.270 4.320 -0.001 0.000 0.207 318 K C 2.348 178.967 176.600 0.031 0.000 1.049 318 K CA 1.131 57.420 56.287 0.003 0.000 0.931 318 K CB -0.317 32.175 32.500 -0.013 0.000 0.714 318 K HN 0.454 nan 8.250 nan 0.000 0.440 319 A N 0.884 123.713 122.820 0.015 0.000 1.898 319 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 319 A C 2.351 179.975 177.584 0.066 0.000 1.181 319 A CA 1.370 53.427 52.037 0.035 0.000 0.620 319 A CB -0.667 18.337 19.000 0.007 0.000 0.819 319 A HN 0.070 nan 8.150 nan 0.000 0.442 320 V N 0.617 120.550 119.914 0.031 0.000 2.287 320 V HA -0.304 3.815 4.120 -0.001 0.000 0.248 320 V C 2.342 178.444 176.094 0.012 0.000 1.053 320 V CA 2.609 64.917 62.300 0.012 0.000 1.027 320 V CB -0.890 30.920 31.823 -0.021 0.000 0.646 320 V HN 0.798 nan 8.190 nan 0.000 0.447 321 D N -0.908 119.503 120.400 0.019 0.000 2.104 321 D HA -0.275 4.365 4.640 -0.001 0.000 0.194 321 D C 2.054 178.380 176.300 0.042 0.000 0.994 321 D CA 1.932 55.941 54.000 0.015 0.000 0.830 321 D CB -0.143 40.667 40.800 0.017 0.000 0.959 321 D HN 0.647 nan 8.370 nan 0.000 0.452 322 H N -0.617 118.457 119.070 0.005 0.000 2.290 322 H HA -0.024 4.531 4.556 -0.001 0.000 0.298 322 H C 1.939 177.293 175.328 0.044 0.000 1.087 322 H CA 2.225 58.286 56.048 0.022 0.000 1.291 322 H CB -0.347 29.428 29.762 0.023 0.000 1.369 322 H HN 0.206 nan 8.280 nan 0.000 0.492 323 A N -0.888 122.036 122.820 0.173 0.000 1.972 323 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 323 A C 2.435 180.110 177.584 0.152 0.000 1.169 323 A CA 1.917 54.049 52.037 0.159 0.000 0.635 323 A CB -0.869 18.233 19.000 0.169 0.000 0.810 323 A HN 0.556 nan 8.150 nan 0.000 0.446 324 T N 0.505 115.088 114.554 0.049 0.000 2.821 324 T HA -0.081 4.268 4.350 -0.001 0.000 0.267 324 T C 1.517 176.249 174.700 0.054 0.000 1.046 324 T CA 1.514 63.611 62.100 -0.005 0.000 1.139 324 T CB -0.233 68.570 68.868 -0.108 0.000 0.871 324 T HN 0.550 nan 8.240 nan 0.000 0.454 325 N N 0.409 119.097 118.700 -0.021 0.000 2.220 325 N HA 0.095 4.834 4.740 -0.001 0.000 0.195 325 N C 0.601 176.055 175.510 -0.092 0.000 1.123 325 N CA -0.004 53.014 53.050 -0.053 0.000 0.874 325 N CB 0.455 38.899 38.487 -0.071 0.000 0.995 325 N HN 0.142 nan 8.380 nan 0.000 0.498 326 R N 1.773 122.191 120.500 -0.136 0.000 2.216 326 R HA 0.200 4.540 4.340 -0.001 0.000 0.332 326 R C -0.772 175.513 176.300 -0.025 0.000 1.056 326 R CA 0.060 56.078 56.100 -0.137 0.000 0.901 326 R CB -0.083 30.076 30.300 -0.234 0.000 1.039 326 R HN -0.217 nan 8.270 nan 0.000 0.456 327 T N 4.610 119.155 114.554 -0.015 0.000 2.832 327 T HA 0.322 4.671 4.350 -0.001 0.000 0.296 327 T C -0.596 174.137 174.700 0.056 0.000 0.968 327 T CA -0.219 61.892 62.100 0.018 0.000 1.107 327 T CB 1.005 69.873 68.868 -0.001 0.000 0.916 327 T HN 0.487 nan 8.240 nan 0.000 0.517 328 Q N 1.233 121.125 119.800 0.153 0.000 2.353 328 Q HA 0.477 4.816 4.340 -0.001 0.000 0.275 328 Q C -0.916 175.297 176.000 0.353 0.000 1.029 328 Q CA -0.774 55.115 55.803 0.143 0.000 0.848 328 Q CB 0.746 29.601 28.738 0.194 0.000 1.390 328 Q HN 0.596 nan 8.270 nan 0.000 0.401 329 F N 2.207 122.223 119.950 0.110 0.000 3.079 329 F HA -0.213 4.313 4.527 -0.001 0.000 0.274 329 F C 1.255 177.147 175.800 0.154 0.000 0.940 329 F CA 1.519 59.583 58.000 0.106 0.000 0.932 329 F CB -1.601 37.429 39.000 0.050 0.000 0.891 329 F HN 0.893 nan 8.300 nan 0.000 0.722 330 G N -0.963 107.952 108.800 0.192 0.000 2.179 330 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.260 330 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.260 330 G C 0.025 174.975 174.900 0.083 0.000 0.977 330 G CA 0.380 45.551 45.100 0.118 0.000 0.641 330 G HN 0.566 nan 8.290 nan 0.000 0.533 331 E N -0.263 119.995 120.200 0.096 0.000 2.393 331 E HA 0.498 4.847 4.350 -0.001 0.000 0.273 331 E C -0.567 175.940 176.600 -0.154 0.000 0.918 331 E CA -1.294 55.049 56.400 -0.095 0.000 0.773 331 E CB 1.314 30.843 29.700 -0.286 0.000 1.275 331 E HN -0.030 nan 8.360 nan 0.000 0.451 332 K N 1.947 122.206 120.400 -0.235 0.000 2.448 332 K HA 0.077 4.396 4.320 -0.001 0.000 0.278 332 K C 1.241 177.583 176.600 -0.429 0.000 1.009 332 K CA 0.208 56.363 56.287 -0.220 0.000 0.995 332 K CB 0.356 32.787 32.500 -0.115 0.000 0.917 332 K HN 0.631 nan 8.250 nan 0.000 0.481 333 I N -0.062 120.417 120.570 -0.152 0.000 2.830 333 I HA -0.208 3.961 4.170 -0.001 0.000 0.263 333 I C 1.704 177.742 176.117 -0.131 0.000 1.230 333 I CA 0.865 62.128 61.300 -0.061 0.000 1.480 333 I CB -0.524 37.641 38.000 0.276 0.000 1.095 333 I HN 0.667 nan 8.210 nan 0.000 0.455 334 H N 0.320 119.332 119.070 -0.096 0.000 2.543 334 H HA 0.030 4.586 4.556 -0.001 0.000 0.286 334 H C 1.410 176.657 175.328 -0.134 0.000 1.037 334 H CA 1.185 57.191 56.048 -0.070 0.000 1.250 334 H CB -0.904 28.828 29.762 -0.050 0.000 1.373 334 H HN 0.368 nan 8.280 nan 0.000 0.580 335 N N 0.074 118.359 118.700 -0.692 0.000 2.461 335 N HA -0.009 4.730 4.740 -0.001 0.000 0.188 335 N C -0.836 174.427 175.510 -0.412 0.000 1.134 335 N CA 0.224 52.934 53.050 -0.567 0.000 0.878 335 N CB 0.188 38.247 38.487 -0.714 0.000 0.972 335 N HN 0.221 nan 8.380 nan 0.000 0.456 336 F N -0.095 119.821 119.950 -0.057 0.000 2.421 336 F HA 0.361 4.888 4.527 -0.001 0.000 0.337 336 F C 1.803 177.594 175.800 -0.015 0.000 1.105 336 F CA -1.355 56.623 58.000 -0.037 0.000 1.049 336 F CB 1.014 39.993 39.000 -0.034 0.000 1.139 336 F HN -0.150 nan 8.300 nan 0.000 0.479 337 G N 2.943 111.851 108.800 0.181 0.000 2.440 337 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.218 337 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.218 337 G C 1.564 176.515 174.900 0.085 0.000 1.154 337 G CA 0.537 45.694 45.100 0.095 0.000 0.767 337 G HN 0.610 nan 8.290 nan 0.000 0.552 338 L N 0.310 121.582 121.223 0.082 0.000 2.042 338 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 338 L C 2.848 179.763 176.870 0.075 0.000 1.076 338 L CA 0.758 55.631 54.840 0.054 0.000 0.749 338 L CB -0.475 41.598 42.059 0.024 0.000 0.893 338 L HN 0.157 nan 8.230 nan 0.000 0.432 339 I N -0.264 120.376 120.570 0.118 0.000 2.252 339 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 339 I C 2.577 178.751 176.117 0.095 0.000 1.102 339 I CA 1.401 62.772 61.300 0.118 0.000 1.385 339 I CB -1.141 36.959 38.000 0.166 0.000 1.064 339 I HN 0.377 nan 8.210 nan 0.000 0.414 340 Q N 0.440 120.297 119.800 0.094 0.000 2.096 340 Q HA -0.267 4.073 4.340 -0.001 0.000 0.204 340 Q C 2.183 178.220 176.000 0.062 0.000 0.982 340 Q CA 1.987 57.835 55.803 0.076 0.000 0.850 340 Q CB -0.227 28.551 28.738 0.067 0.000 0.901 340 Q HN 0.529 nan 8.270 nan 0.000 0.422 341 E N 1.038 121.272 120.200 0.056 0.000 2.077 341 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 341 E C 1.708 178.338 176.600 0.049 0.000 0.989 341 E CA 0.966 57.395 56.400 0.047 0.000 0.800 341 E CB 0.169 29.892 29.700 0.038 0.000 0.746 341 E HN 0.208 nan 8.360 nan 0.000 0.452 342 K N 0.316 120.744 120.400 0.047 0.000 2.020 342 K HA -0.188 4.132 4.320 -0.001 0.000 0.212 342 K C 2.319 178.946 176.600 0.045 0.000 1.050 342 K CA 1.615 57.926 56.287 0.041 0.000 0.929 342 K CB -0.271 32.250 32.500 0.036 0.000 0.714 342 K HN 0.211 nan 8.250 nan 0.000 0.443 343 L N 0.517 121.770 121.223 0.051 0.000 2.012 343 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 343 L C 2.672 179.574 176.870 0.054 0.000 1.073 343 L CA 1.258 56.127 54.840 0.049 0.000 0.748 343 L CB -0.677 41.413 42.059 0.051 0.000 0.891 343 L HN 0.253 nan 8.230 nan 0.000 0.431 344 A N 0.162 123.018 122.820 0.059 0.000 1.883 344 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 344 A C 2.383 180.015 177.584 0.080 0.000 1.186 344 A CA 1.734 53.809 52.037 0.063 0.000 0.624 344 A CB -0.525 18.508 19.000 0.056 0.000 0.822 344 A HN 0.342 nan 8.150 nan 0.000 0.444 345 R N -1.252 119.298 120.500 0.084 0.000 2.096 345 R HA -0.056 4.284 4.340 -0.001 0.000 0.235 345 R C 2.284 178.653 176.300 0.116 0.000 1.127 345 R CA 1.641 57.811 56.100 0.116 0.000 0.968 345 R CB -0.404 29.953 30.300 0.097 0.000 0.861 345 R HN 0.562 nan 8.270 nan 0.000 0.440 346 M N -0.162 119.484 119.600 0.076 0.000 2.080 346 M HA -0.179 4.301 4.480 -0.001 0.000 0.260 346 M C 2.416 178.758 176.300 0.069 0.000 1.068 346 M CA 1.484 56.819 55.300 0.058 0.000 1.109 346 M CB -0.340 32.278 32.600 0.030 0.000 1.342 346 M HN 0.059 nan 8.290 nan 0.000 0.405 347 V N 0.386 120.343 119.914 0.070 0.000 2.427 347 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 347 V C 2.138 178.286 176.094 0.091 0.000 1.051 347 V CA 1.673 64.018 62.300 0.074 0.000 1.048 347 V CB -0.202 31.664 31.823 0.072 0.000 0.666 347 V HN 0.460 nan 8.190 nan 0.000 0.456 348 M N -0.843 118.819 119.600 0.104 0.000 2.108 348 M HA -0.199 4.280 4.480 -0.001 0.000 0.261 348 M C 2.116 178.482 176.300 0.110 0.000 1.066 348 M CA 2.072 57.453 55.300 0.135 0.000 1.107 348 M CB -0.456 32.307 32.600 0.271 0.000 1.356 348 M HN 0.314 nan 8.290 nan 0.000 0.406 349 L N -0.434 120.883 121.223 0.155 0.000 2.046 349 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 349 L C 2.828 179.787 176.870 0.147 0.000 1.077 349 L CA 1.254 56.194 54.840 0.167 0.000 0.747 349 L CB -0.799 41.330 42.059 0.118 0.000 0.896 349 L HN 0.416 nan 8.230 nan 0.000 0.432 350 Q N -0.330 119.530 119.800 0.100 0.000 2.061 350 Q HA -0.275 4.064 4.340 -0.001 0.000 0.204 350 Q C 2.213 178.256 176.000 0.072 0.000 0.984 350 Q CA 2.047 57.897 55.803 0.079 0.000 0.846 350 Q CB -0.364 28.412 28.738 0.063 0.000 0.902 350 Q HN 0.497 nan 8.270 nan 0.000 0.421 351 Y N 0.531 120.789 120.300 -0.070 0.000 2.163 351 Y HA -0.185 4.364 4.550 -0.000 0.000 0.288 351 Y C 2.261 178.032 175.900 -0.215 0.000 1.136 351 Y CA 1.474 59.493 58.100 -0.135 0.000 1.147 351 Y CB -0.323 38.047 38.460 -0.150 0.000 0.987 351 Y HN -0.093 nan 8.280 nan 0.000 0.509 352 V N -0.518 119.242 119.914 -0.257 0.000 2.295 352 V HA -0.347 3.773 4.120 -0.001 0.000 0.246 352 V C 2.277 178.105 176.094 -0.444 0.000 1.049 352 V CA 2.472 64.426 62.300 -0.576 0.000 1.024 352 V CB -1.155 30.070 31.823 -0.997 0.000 0.648 352 V HN 0.464 nan 8.190 nan 0.000 0.447 353 T N -0.639 113.834 114.554 -0.135 0.000 2.674 353 T HA -0.250 4.100 4.350 -0.001 0.000 0.265 353 T C 1.899 176.577 174.700 -0.036 0.000 1.039 353 T CA 1.865 63.972 62.100 0.012 0.000 1.150 353 T CB -0.250 68.720 68.868 0.171 0.000 0.864 353 T HN 0.631 nan 8.240 nan 0.000 0.427 354 E N 0.631 120.804 120.200 -0.045 0.000 2.085 354 E HA -0.140 4.210 4.350 -0.001 0.000 0.194 354 E C 2.309 178.913 176.600 0.007 0.000 0.994 354 E CA 1.263 57.677 56.400 0.023 0.000 0.801 354 E CB -0.053 29.638 29.700 -0.015 0.000 0.743 354 E HN 0.359 nan 8.360 nan 0.000 0.453 355 S N 0.360 115.914 115.700 -0.245 0.000 2.368 355 S HA -0.158 4.311 4.470 -0.001 0.000 0.225 355 S C 1.937 176.491 174.600 -0.077 0.000 1.030 355 S CA 1.381 59.426 58.200 -0.257 0.000 0.999 355 S CB -0.180 62.650 63.200 -0.616 0.000 0.844 355 S HN 0.310 nan 8.310 nan 0.000 0.459 356 M N 1.157 120.650 119.600 -0.178 0.000 2.086 356 M HA -0.123 4.356 4.480 -0.001 0.000 0.261 356 M C 2.559 178.880 176.300 0.035 0.000 1.067 356 M CA 1.519 56.755 55.300 -0.106 0.000 1.116 356 M CB -0.625 31.917 32.600 -0.096 0.000 1.348 356 M HN 0.413 nan 8.290 nan 0.000 0.407 357 A N -0.386 122.472 122.820 0.063 0.000 1.883 357 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 357 A C 1.817 179.412 177.584 0.018 0.000 1.186 357 A CA 1.667 53.747 52.037 0.071 0.000 0.624 357 A CB -1.166 17.851 19.000 0.028 0.000 0.822 357 A HN 0.519 nan 8.150 nan 0.000 0.444 358 Y N -1.256 119.060 120.300 0.028 0.000 2.439 358 Y HA -0.024 4.525 4.550 -0.001 0.000 0.292 358 Y C 2.466 178.295 175.900 -0.118 0.000 1.130 358 Y CA 1.324 59.428 58.100 0.007 0.000 1.254 358 Y CB -0.244 38.264 38.460 0.080 0.000 1.000 358 Y HN 0.375 nan 8.280 nan 0.000 0.554 359 M N -0.927 118.652 119.600 -0.034 0.000 2.099 359 M HA -0.182 4.297 4.480 -0.001 0.000 0.262 359 M C 1.832 178.019 176.300 -0.188 0.000 1.067 359 M CA 1.520 56.653 55.300 -0.279 0.000 1.124 359 M CB -0.209 32.205 32.600 -0.309 0.000 1.353 359 M HN 0.085 nan 8.290 nan 0.000 0.410 360 V N 0.485 120.340 119.914 -0.099 0.000 2.343 360 V HA -0.243 3.876 4.120 -0.001 0.000 0.247 360 V C 2.591 178.434 176.094 -0.418 0.000 1.051 360 V CA 2.049 64.254 62.300 -0.157 0.000 1.036 360 V CB -1.055 30.770 31.823 0.003 0.000 0.654 360 V HN 0.744 nan 8.190 nan 0.000 0.451 361 S N 1.188 116.614 115.700 -0.456 0.000 2.382 361 S HA -0.164 4.306 4.470 -0.001 0.000 0.228 361 S C 2.120 176.432 174.600 -0.480 0.000 1.027 361 S CA 1.375 59.126 58.200 -0.748 0.000 0.991 361 S CB -0.594 62.194 63.200 -0.687 0.000 0.823 361 S HN 0.568 nan 8.310 nan 0.000 0.469 362 A N 3.086 125.727 122.820 -0.299 0.000 1.902 362 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 362 A C 2.164 179.601 177.584 -0.246 0.000 1.181 362 A CA 1.729 53.630 52.037 -0.227 0.000 0.623 362 A CB -1.002 17.877 19.000 -0.202 0.000 0.818 362 A HN 0.565 nan 8.150 nan 0.000 0.443 363 N N -0.128 118.410 118.700 -0.271 0.000 2.104 363 N HA -0.169 4.570 4.740 -0.001 0.000 0.190 363 N C 1.738 177.068 175.510 -0.299 0.000 1.024 363 N CA 1.946 54.861 53.050 -0.225 0.000 0.853 363 N CB -0.508 37.875 38.487 -0.174 0.000 1.008 363 N HN 0.590 nan 8.380 nan 0.000 0.424 364 M N 0.442 119.730 119.600 -0.520 0.000 2.117 364 M HA -0.115 4.365 4.480 -0.001 0.000 0.262 364 M C 1.124 177.237 176.300 -0.313 0.000 1.065 364 M CA 1.245 56.212 55.300 -0.556 0.000 1.114 364 M CB -0.165 31.947 32.600 -0.813 0.000 1.361 364 M HN -0.051 nan 8.290 nan 0.000 0.408 365 D N 0.218 120.445 120.400 -0.288 0.000 2.219 365 D HA -0.119 4.520 4.640 -0.001 0.000 0.205 365 D C 1.526 177.752 176.300 -0.124 0.000 0.970 365 D CA 1.088 54.978 54.000 -0.183 0.000 0.851 365 D CB -0.166 40.538 40.800 -0.159 0.000 0.943 365 D HN 0.498 nan 8.370 nan 0.000 0.488 366 Q N -0.659 119.067 119.800 -0.123 0.000 2.280 366 Q HA 0.258 4.597 4.340 -0.001 0.000 0.202 366 Q C 0.889 176.858 176.000 -0.052 0.000 0.903 366 Q CA 0.287 56.044 55.803 -0.076 0.000 0.948 366 Q CB 0.801 29.497 28.738 -0.071 0.000 1.058 366 Q HN 0.254 nan 8.270 nan 0.000 0.493 367 G N 0.771 109.537 108.800 -0.058 0.000 2.157 367 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.248 367 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.248 367 G C 0.308 175.225 174.900 0.028 0.000 0.979 367 G CA -0.063 45.028 45.100 -0.016 0.000 0.650 367 G HN 0.542 nan 8.290 nan 0.000 0.529 368 A N 0.270 123.110 122.820 0.034 0.000 2.565 368 A HA 0.524 4.843 4.320 -0.001 0.000 0.237 368 A C 1.646 179.384 177.584 0.257 0.000 1.053 368 A CA 1.844 53.962 52.037 0.135 0.000 0.755 368 A CB 0.171 19.264 19.000 0.156 0.000 0.980 368 A HN 1.610 nan 8.150 nan 0.000 0.506 369 T N -1.439 113.229 114.554 0.191 0.000 3.014 369 T HA 0.162 4.512 4.350 -0.001 0.000 0.250 369 T C 0.128 174.854 174.700 0.044 0.000 1.060 369 T CA 0.770 62.955 62.100 0.142 0.000 1.040 369 T CB 0.131 69.046 68.868 0.077 0.000 0.971 369 T HN 0.537 nan 8.240 nan 0.000 0.497 370 D N 0.805 121.253 120.400 0.081 0.000 2.408 370 D HA 0.371 5.011 4.640 -0.001 0.000 0.261 370 D C -0.641 175.700 176.300 0.068 0.000 1.190 370 D CA -1.065 52.922 54.000 -0.021 0.000 0.910 370 D CB 0.575 41.382 40.800 0.011 0.000 1.097 370 D HN 0.409 nan 8.370 nan 0.000 0.522 371 F N 1.345 121.312 119.950 0.028 0.000 2.960 371 F HA 0.159 4.686 4.527 -0.001 0.000 0.345 371 F C 1.753 177.572 175.800 0.032 0.000 1.147 371 F CA -0.478 57.529 58.000 0.012 0.000 1.099 371 F CB -0.408 38.592 39.000 0.001 0.000 1.219 371 F HN 0.166 nan 8.300 nan 0.000 0.525 372 Q N 1.703 121.363 119.800 -0.234 0.000 2.119 372 Q HA -0.110 4.230 4.340 -0.001 0.000 0.201 372 Q C 1.564 177.679 176.000 0.191 0.000 0.972 372 Q CA 2.355 58.122 55.803 -0.061 0.000 0.847 372 Q CB -0.391 28.323 28.738 -0.041 0.000 0.903 372 Q HN 0.642 nan 8.270 nan 0.000 0.433 373 I N 0.892 121.515 120.570 0.087 0.000 2.286 373 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 373 I C 1.942 178.072 176.117 0.022 0.000 1.104 373 I CA 1.249 62.577 61.300 0.047 0.000 1.397 373 I CB -0.125 37.810 38.000 -0.107 0.000 1.072 373 I HN 0.179 nan 8.210 nan 0.000 0.417 374 E N 1.223 121.376 120.200 -0.079 0.000 2.077 374 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 374 E C 2.285 178.917 176.600 0.053 0.000 0.989 374 E CA 1.453 57.693 56.400 -0.268 0.000 0.800 374 E CB -0.331 29.182 29.700 -0.312 0.000 0.746 374 E HN 0.471 nan 8.360 nan 0.000 0.452 375 A N 1.026 123.960 122.820 0.190 0.000 1.902 375 A HA -0.114 4.205 4.320 -0.001 0.000 0.217 375 A C 2.374 180.077 177.584 0.197 0.000 1.181 375 A CA 1.894 54.079 52.037 0.247 0.000 0.623 375 A CB -0.906 18.303 19.000 0.348 0.000 0.818 375 A HN 0.295 nan 8.150 nan 0.000 0.443 376 A N 0.063 123.002 122.820 0.198 0.000 1.877 376 A HA -0.104 4.216 4.320 -0.001 0.000 0.216 376 A C 2.113 179.821 177.584 0.206 0.000 1.186 376 A CA 1.524 53.683 52.037 0.204 0.000 0.620 376 A CB -0.679 18.525 19.000 0.340 0.000 0.822 376 A HN 0.503 nan 8.150 nan 0.000 0.443 377 I N 0.788 121.476 120.570 0.197 0.000 2.194 377 I HA -0.319 3.850 4.170 -0.001 0.000 0.246 377 I C 2.924 179.206 176.117 0.275 0.000 1.093 377 I CA 1.868 63.307 61.300 0.232 0.000 1.355 377 I CB -0.347 37.778 38.000 0.208 0.000 1.046 377 I HN 0.556 nan 8.210 nan 0.000 0.413 378 S N 0.473 116.323 115.700 0.251 0.000 2.402 378 S HA -0.186 4.283 4.470 -0.001 0.000 0.229 378 S C 2.111 176.852 174.600 0.234 0.000 1.021 378 S CA 0.792 59.138 58.200 0.243 0.000 0.974 378 S CB -0.228 63.100 63.200 0.214 0.000 0.800 378 S HN 0.297 nan 8.310 nan 0.000 0.484 379 K N 1.659 122.180 120.400 0.201 0.000 2.001 379 K HA 0.055 4.374 4.320 -0.001 0.000 0.208 379 K C 2.066 178.777 176.600 0.186 0.000 1.048 379 K CA 1.547 57.938 56.287 0.173 0.000 0.932 379 K CB -0.701 31.879 32.500 0.134 0.000 0.715 379 K HN 0.542 nan 8.250 nan 0.000 0.437 380 I N 0.225 120.912 120.570 0.195 0.000 2.142 380 I HA -0.277 3.892 4.170 -0.001 0.000 0.240 380 I C 2.425 178.657 176.117 0.192 0.000 1.078 380 I CA 1.353 62.759 61.300 0.177 0.000 1.343 380 I CB -0.381 37.731 38.000 0.187 0.000 1.046 380 I HN 0.056 nan 8.210 nan 0.000 0.405 381 F N 1.475 121.499 119.950 0.124 0.000 2.102 381 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 381 F C 2.358 178.211 175.800 0.090 0.000 1.105 381 F CA 1.827 59.896 58.000 0.116 0.000 1.239 381 F CB -0.633 38.434 39.000 0.111 0.000 0.991 381 F HN -0.001 nan 8.300 nan 0.000 0.474 382 G N -0.665 108.331 108.800 0.327 0.000 2.404 382 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.215 382 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.215 382 G C 1.733 176.687 174.900 0.090 0.000 1.174 382 G CA 1.075 46.300 45.100 0.209 0.000 0.780 382 G HN 0.498 nan 8.290 nan 0.000 0.537 383 S N 0.775 116.539 115.700 0.108 0.000 2.368 383 S HA -0.084 4.385 4.470 -0.001 0.000 0.225 383 S C 1.990 176.638 174.600 0.080 0.000 1.030 383 S CA 1.668 59.930 58.200 0.104 0.000 0.999 383 S CB -0.365 62.930 63.200 0.159 0.000 0.844 383 S HN 0.572 nan 8.310 nan 0.000 0.459 384 E N 1.779 121.996 120.200 0.027 0.000 2.107 384 E HA 0.061 4.410 4.350 -0.001 0.000 0.191 384 E C 2.461 179.063 176.600 0.004 0.000 0.982 384 E CA 0.832 57.242 56.400 0.017 0.000 0.809 384 E CB -0.405 29.269 29.700 -0.044 0.000 0.756 384 E HN 0.679 nan 8.360 nan 0.000 0.459 385 A N 1.668 124.403 122.820 -0.141 0.000 1.877 385 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 385 A C 2.416 179.991 177.584 -0.015 0.000 1.186 385 A CA 1.775 53.726 52.037 -0.144 0.000 0.620 385 A CB -0.721 18.163 19.000 -0.192 0.000 0.822 385 A HN 0.291 nan 8.150 nan 0.000 0.443 386 A N -1.316 121.511 122.820 0.012 0.000 1.902 386 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 386 A C 2.107 179.713 177.584 0.037 0.000 1.181 386 A CA 1.349 53.385 52.037 -0.001 0.000 0.623 386 A CB -0.937 18.033 19.000 -0.051 0.000 0.818 386 A HN 0.857 nan 8.150 nan 0.000 0.443 387 W N 1.019 122.272 121.300 -0.078 0.000 2.333 387 W HA -0.224 4.435 4.660 -0.001 0.000 0.316 387 W C 1.867 178.359 176.519 -0.045 0.000 1.215 387 W CA 2.233 59.545 57.345 -0.056 0.000 1.278 387 W CB -0.321 29.113 29.460 -0.043 0.000 1.154 387 W HN 0.321 nan 8.180 nan 0.000 0.486 388 K N -0.104 120.316 120.400 0.033 0.000 2.097 388 K HA -0.175 4.144 4.320 -0.001 0.000 0.206 388 K C 1.855 178.388 176.600 -0.111 0.000 1.049 388 K CA 1.760 58.012 56.287 -0.059 0.000 0.933 388 K CB -0.567 31.952 32.500 0.031 0.000 0.717 388 K HN 0.020 nan 8.250 nan 0.000 0.442 389 V N 0.959 120.826 119.914 -0.077 0.000 2.307 389 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 389 V C 2.046 178.070 176.094 -0.116 0.000 1.045 389 V CA 2.082 64.341 62.300 -0.068 0.000 1.024 389 V CB -0.471 31.329 31.823 -0.038 0.000 0.651 389 V HN 0.400 nan 8.190 nan 0.000 0.449 390 T N -0.679 113.775 114.554 -0.166 0.000 2.777 390 T HA -0.191 4.159 4.350 -0.001 0.000 0.266 390 T C 1.695 176.237 174.700 -0.264 0.000 1.040 390 T CA 1.644 63.625 62.100 -0.200 0.000 1.141 390 T CB -0.360 68.382 68.868 -0.210 0.000 0.868 390 T HN 0.574 nan 8.240 nan 0.000 0.444 391 D N 1.009 121.172 120.400 -0.396 0.000 2.116 391 D HA -0.148 4.491 4.640 -0.001 0.000 0.193 391 D C 2.212 178.391 176.300 -0.202 0.000 0.998 391 D CA 1.110 54.884 54.000 -0.377 0.000 0.836 391 D CB 0.003 40.503 40.800 -0.500 0.000 0.951 391 D HN 0.161 nan 8.370 nan 0.000 0.449 392 E N -0.301 119.809 120.200 -0.150 0.000 2.152 392 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 392 E C 2.252 178.805 176.600 -0.078 0.000 0.983 392 E CA 0.274 56.622 56.400 -0.087 0.000 0.818 392 E CB -0.795 28.874 29.700 -0.051 0.000 0.758 392 E HN 0.413 nan 8.360 nan 0.000 0.467 393 C N 0.748 119.993 119.300 -0.092 0.000 2.413 393 C HA -0.116 4.343 4.460 -0.001 0.000 0.276 393 C C 2.680 177.606 174.990 -0.107 0.000 1.236 393 C CA 0.441 59.408 59.018 -0.085 0.000 1.735 393 C CB -1.138 26.551 27.740 -0.085 0.000 2.031 393 C HN 0.352 nan 8.230 nan 0.000 0.474 394 I N 0.500 121.002 120.570 -0.114 0.000 2.151 394 I HA -0.256 3.914 4.170 -0.001 0.000 0.243 394 I C 2.721 178.783 176.117 -0.091 0.000 1.080 394 I CA 2.114 63.356 61.300 -0.097 0.000 1.339 394 I CB -0.701 37.251 38.000 -0.080 0.000 1.039 394 I HN 0.403 nan 8.210 nan 0.000 0.409 395 Q N 1.215 120.966 119.800 -0.081 0.000 2.061 395 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 395 Q C 2.056 178.025 176.000 -0.052 0.000 0.984 395 Q CA 1.886 57.654 55.803 -0.060 0.000 0.846 395 Q CB -0.342 28.367 28.738 -0.049 0.000 0.902 395 Q HN 0.506 nan 8.270 nan 0.000 0.421 396 I N -0.415 120.123 120.570 -0.053 0.000 2.208 396 I HA -0.314 3.856 4.170 -0.001 0.000 0.245 396 I C 2.118 178.151 176.117 -0.140 0.000 1.097 396 I CA 1.311 62.594 61.300 -0.029 0.000 1.363 396 I CB -0.249 37.751 38.000 0.001 0.000 1.051 396 I HN 0.312 nan 8.210 nan 0.000 0.413 397 M N 0.044 119.444 119.600 -0.332 0.000 2.562 397 M HA 0.081 4.561 4.480 -0.001 0.000 0.257 397 M C 1.489 177.596 176.300 -0.322 0.000 1.099 397 M CA 0.758 55.606 55.300 -0.753 0.000 1.099 397 M CB -0.418 31.866 32.600 -0.526 0.000 1.427 397 M HN 0.497 nan 8.290 nan 0.000 0.489 398 G N 0.681 109.408 108.800 -0.122 0.000 2.566 398 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.280 398 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.280 398 G C 0.702 175.594 174.900 -0.014 0.000 1.225 398 G CA -0.028 45.054 45.100 -0.030 0.000 0.966 398 G HN 0.433 nan 8.290 nan 0.000 0.560 399 G N -0.565 108.245 108.800 0.017 0.000 2.469 399 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.219 399 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.219 399 G C 1.903 176.851 174.900 0.081 0.000 1.150 399 G CA 2.375 47.502 45.100 0.044 0.000 0.763 399 G HN 1.144 nan 8.290 nan 0.000 0.561 400 M N 1.168 120.798 119.600 0.051 0.000 2.213 400 M HA 0.084 4.563 4.480 -0.001 0.000 0.263 400 M C 2.475 178.788 176.300 0.022 0.000 1.062 400 M CA 1.931 57.258 55.300 0.046 0.000 1.105 400 M CB -0.313 32.322 32.600 0.058 0.000 1.385 400 M HN 0.149 nan 8.290 nan 0.000 0.417 401 G N -0.708 108.083 108.800 -0.015 0.000 2.462 401 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.220 401 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.220 401 G C 1.195 176.135 174.900 0.067 0.000 1.121 401 G CA 0.573 45.661 45.100 -0.019 0.000 0.758 401 G HN 0.556 nan 8.290 nan 0.000 0.559 402 F N 0.790 120.704 119.950 -0.059 0.000 2.710 402 F HA 0.394 4.920 4.527 -0.001 0.000 0.298 402 F C 1.238 177.021 175.800 -0.029 0.000 1.137 402 F CA -0.387 57.587 58.000 -0.043 0.000 1.444 402 F CB 0.078 39.057 39.000 -0.034 0.000 1.111 402 F HN -0.108 nan 8.300 nan 0.000 0.580 403 M N 0.884 120.481 119.600 -0.004 0.000 2.240 403 M HA 0.067 4.546 4.480 -0.001 0.000 0.333 403 M C 1.731 177.966 176.300 -0.109 0.000 1.110 403 M CA 0.059 55.320 55.300 -0.065 0.000 1.173 403 M CB 0.685 33.288 32.600 0.005 0.000 1.458 403 M HN 0.071 nan 8.290 nan 0.000 0.458 404 K N 1.620 121.952 120.400 -0.112 0.000 2.062 404 K HA -0.148 4.171 4.320 -0.001 0.000 0.205 404 K C 1.571 178.139 176.600 -0.052 0.000 1.051 404 K CA 1.572 57.802 56.287 -0.095 0.000 0.941 404 K CB 0.066 32.515 32.500 -0.086 0.000 0.719 404 K HN 0.717 nan 8.250 nan 0.000 0.440 405 E N 0.696 120.876 120.200 -0.033 0.000 2.070 405 E HA -0.149 4.200 4.350 -0.001 0.000 0.197 405 E C -0.877 175.717 176.600 -0.010 0.000 1.004 405 E CA 1.282 57.672 56.400 -0.015 0.000 0.805 405 E CB -0.581 29.116 29.700 -0.005 0.000 0.744 405 E HN 0.352 nan 8.360 nan 0.000 0.451 406 P HA -0.019 nan 4.420 nan 0.000 0.223 406 P C 0.801 178.093 177.300 -0.014 0.000 1.144 406 P CA 1.559 64.656 63.100 -0.006 0.000 0.783 406 P CB -0.140 31.556 31.700 -0.006 0.000 0.771 407 G N -1.890 106.895 108.800 -0.024 0.000 2.184 407 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.264 407 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.264 407 G C 1.075 175.955 174.900 -0.034 0.000 0.975 407 G CA 0.351 45.438 45.100 -0.023 0.000 0.642 407 G HN 0.290 nan 8.290 nan 0.000 0.536 408 V N 1.408 121.295 119.914 -0.045 0.000 2.379 408 V HA -0.075 4.045 4.120 -0.001 0.000 0.245 408 V C 2.738 178.789 176.094 -0.071 0.000 1.044 408 V CA 2.894 65.157 62.300 -0.061 0.000 1.036 408 V CB -0.252 31.530 31.823 -0.069 0.000 0.664 408 V HN 0.805 nan 8.190 nan 0.000 0.453 409 E N 1.502 121.657 120.200 -0.074 0.000 2.153 409 E HA -0.277 4.073 4.350 -0.001 0.000 0.194 409 E C 2.182 178.745 176.600 -0.061 0.000 0.988 409 E CA 1.714 58.063 56.400 -0.085 0.000 0.811 409 E CB -0.591 29.028 29.700 -0.134 0.000 0.746 409 E HN 0.535 nan 8.360 nan 0.000 0.466 410 R N 0.860 121.331 120.500 -0.047 0.000 2.081 410 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 410 R C 2.068 178.368 176.300 -0.001 0.000 1.131 410 R CA 1.660 57.750 56.100 -0.018 0.000 0.960 410 R CB -0.292 30.004 30.300 -0.008 0.000 0.856 410 R HN 0.231 nan 8.270 nan 0.000 0.436 411 V N 1.492 121.395 119.914 -0.019 0.000 2.343 411 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 411 V C 2.335 178.420 176.094 -0.015 0.000 1.051 411 V CA 1.503 63.791 62.300 -0.021 0.000 1.036 411 V CB -0.526 31.266 31.823 -0.053 0.000 0.654 411 V HN 0.327 nan 8.190 nan 0.000 0.451 412 L N 0.127 121.317 121.223 -0.055 0.000 2.012 412 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 412 L C 2.651 179.590 176.870 0.115 0.000 1.073 412 L CA 1.981 56.774 54.840 -0.080 0.000 0.748 412 L CB -0.570 41.361 42.059 -0.214 0.000 0.891 412 L HN 0.192 nan 8.230 nan 0.000 0.431 413 R N -0.579 119.971 120.500 0.084 0.000 2.073 413 R HA -0.167 4.173 4.340 -0.001 0.000 0.234 413 R C 1.956 178.338 176.300 0.137 0.000 1.134 413 R CA 1.588 57.759 56.100 0.119 0.000 0.952 413 R CB -0.704 29.629 30.300 0.054 0.000 0.850 413 R HN 0.420 nan 8.270 nan 0.000 0.433 414 D N 0.876 121.349 120.400 0.122 0.000 2.133 414 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 414 D C 1.915 178.384 176.300 0.282 0.000 0.997 414 D CA 1.153 55.259 54.000 0.176 0.000 0.840 414 D CB -0.181 40.708 40.800 0.149 0.000 0.947 414 D HN 0.192 nan 8.370 nan 0.000 0.452 415 L N 0.052 121.419 121.223 0.241 0.000 2.217 415 L HA -0.088 4.251 4.340 -0.001 0.000 0.211 415 L C 2.375 179.457 176.870 0.352 0.000 1.107 415 L CA 0.351 55.360 54.840 0.281 0.000 0.783 415 L CB -0.105 42.103 42.059 0.248 0.000 0.919 415 L HN -0.074 nan 8.230 nan 0.000 0.442 416 R N 0.936 121.590 120.500 0.257 0.000 2.105 416 R HA -0.201 4.138 4.340 -0.001 0.000 0.239 416 R C 1.985 178.154 176.300 -0.218 0.000 1.135 416 R CA 1.637 57.668 56.100 -0.114 0.000 0.967 416 R CB -0.676 29.556 30.300 -0.114 0.000 0.861 416 R HN 0.246 nan 8.270 nan 0.000 0.442 417 I N -0.030 120.400 120.570 -0.232 0.000 2.614 417 I HA -0.076 4.093 4.170 -0.001 0.000 0.258 417 I C 1.147 176.811 176.117 -0.755 0.000 1.189 417 I CA 1.053 61.991 61.300 -0.603 0.000 1.462 417 I CB -0.207 37.256 38.000 -0.894 0.000 1.092 417 I HN 0.143 nan 8.210 nan 0.000 0.442 418 F N 0.253 119.949 119.950 -0.424 0.000 2.451 418 F HA -0.043 4.484 4.527 -0.001 0.000 0.299 418 F C 2.302 178.059 175.800 -0.072 0.000 1.101 418 F CA 0.719 58.635 58.000 -0.140 0.000 1.436 418 F CB -0.357 38.663 39.000 0.033 0.000 1.074 418 F HN -0.069 nan 8.300 nan 0.000 0.553 419 R N -0.340 120.145 120.500 -0.025 0.000 2.313 419 R HA 0.125 4.464 4.340 -0.001 0.000 0.199 419 R C 1.425 177.674 176.300 -0.086 0.000 0.958 419 R CA 0.606 56.668 56.100 -0.064 0.000 1.047 419 R CB 0.105 30.296 30.300 -0.181 0.000 0.955 419 R HN 0.398 nan 8.270 nan 0.000 0.481 420 I N -0.851 119.635 120.570 -0.140 0.000 3.873 420 I HA 0.073 4.242 4.170 -0.001 0.000 0.284 420 I C 0.906 177.022 176.117 -0.001 0.000 1.186 420 I CA -0.139 61.089 61.300 -0.120 0.000 1.362 420 I CB 0.200 38.066 38.000 -0.223 0.000 1.432 420 I HN -0.086 nan 8.210 nan 0.000 0.454 421 F N 1.497 121.361 119.950 -0.143 0.000 2.375 421 F HA 0.373 4.900 4.527 -0.001 0.000 0.313 421 F C 0.975 176.697 175.800 -0.130 0.000 1.176 421 F CA -0.771 57.146 58.000 -0.138 0.000 1.142 421 F CB 0.496 39.395 39.000 -0.168 0.000 1.275 421 F HN 0.087 nan 8.300 nan 0.000 0.544 422 E N 0.769 120.986 120.200 0.028 0.000 2.360 422 E HA -0.065 4.284 4.350 -0.001 0.000 0.238 422 E C -0.150 176.422 176.600 -0.047 0.000 1.186 422 E CA 0.944 57.272 56.400 -0.120 0.000 0.719 422 E CB -1.469 28.105 29.700 -0.210 0.000 1.236 422 E HN 1.637 nan 8.360 nan 0.000 0.386 423 G N 0.071 108.863 108.800 -0.013 0.000 3.439 423 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.686 423 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.686 423 G C 0.039 174.953 174.900 0.023 0.000 1.075 423 G CA -0.052 45.037 45.100 -0.018 0.000 0.926 423 G HN 0.965 nan 8.290 nan 0.000 0.485 424 T N 0.671 115.238 114.554 0.022 0.000 2.903 424 T HA 0.251 4.600 4.350 -0.001 0.000 0.314 424 T C 1.544 176.260 174.700 0.025 0.000 1.078 424 T CA 0.425 62.534 62.100 0.015 0.000 1.114 424 T CB 0.951 69.821 68.868 0.003 0.000 0.987 424 T HN 0.430 nan 8.240 nan 0.000 0.548 425 N N 1.592 120.303 118.700 0.019 0.000 2.289 425 N HA -0.093 4.646 4.740 -0.001 0.000 0.184 425 N C 1.443 176.983 175.510 0.049 0.000 1.016 425 N CA 1.199 54.275 53.050 0.042 0.000 0.872 425 N CB -0.324 38.181 38.487 0.030 0.000 0.973 425 N HN 0.700 nan 8.380 nan 0.000 0.433 426 D N 0.757 121.173 120.400 0.027 0.000 2.097 426 D HA -0.113 4.526 4.640 -0.001 0.000 0.195 426 D C 1.772 178.100 176.300 0.048 0.000 0.989 426 D CA 0.682 54.700 54.000 0.031 0.000 0.827 426 D CB -0.012 40.793 40.800 0.009 0.000 0.966 426 D HN 0.194 nan 8.370 nan 0.000 0.456 427 I N 1.222 121.819 120.570 0.045 0.000 2.315 427 I HA -0.154 4.015 4.170 -0.001 0.000 0.248 427 I C 2.636 178.817 176.117 0.106 0.000 1.117 427 I CA 0.652 61.987 61.300 0.059 0.000 1.404 427 I CB -0.809 37.214 38.000 0.038 0.000 1.071 427 I HN 0.024 nan 8.210 nan 0.000 0.419 428 L N -0.070 121.215 121.223 0.103 0.000 2.141 428 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 428 L C 2.751 179.752 176.870 0.218 0.000 1.094 428 L CA 1.062 56.003 54.840 0.168 0.000 0.763 428 L CB -0.539 41.596 42.059 0.126 0.000 0.908 428 L HN 0.176 nan 8.230 nan 0.000 0.437 429 R N 0.086 120.679 120.500 0.155 0.000 2.073 429 R HA -0.148 4.191 4.340 -0.001 0.000 0.234 429 R C 2.316 178.698 176.300 0.136 0.000 1.134 429 R CA 1.291 57.481 56.100 0.149 0.000 0.952 429 R CB -0.419 29.953 30.300 0.120 0.000 0.850 429 R HN 0.306 nan 8.270 nan 0.000 0.433 430 L N -0.363 120.928 121.223 0.114 0.000 2.012 430 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 430 L C 2.384 179.312 176.870 0.097 0.000 1.073 430 L CA 1.318 56.209 54.840 0.085 0.000 0.748 430 L CB -0.573 41.524 42.059 0.063 0.000 0.891 430 L HN 0.162 nan 8.230 nan 0.000 0.431 431 F N 0.561 120.516 119.950 0.009 0.000 2.069 431 F HA -0.225 4.302 4.527 -0.001 0.000 0.298 431 F C 2.315 178.101 175.800 -0.023 0.000 1.113 431 F CA 1.706 59.699 58.000 -0.012 0.000 1.214 431 F CB -0.468 38.525 39.000 -0.011 0.000 0.978 431 F HN -0.265 nan 8.300 nan 0.000 0.474 432 V N 0.738 120.584 119.914 -0.113 0.000 2.287 432 V HA -0.351 3.768 4.120 -0.001 0.000 0.248 432 V C 2.771 178.762 176.094 -0.172 0.000 1.053 432 V CA 2.055 64.256 62.300 -0.166 0.000 1.027 432 V CB -1.629 30.268 31.823 0.124 0.000 0.646 432 V HN 0.539 nan 8.190 nan 0.000 0.447 433 A N -0.480 122.351 122.820 0.019 0.000 1.858 433 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 433 A C 2.198 179.696 177.584 -0.144 0.000 1.190 433 A CA 1.868 53.974 52.037 0.114 0.000 0.617 433 A CB -0.545 18.562 19.000 0.180 0.000 0.827 433 A HN 0.494 nan 8.150 nan 0.000 0.443 434 L N -1.256 119.865 121.223 -0.170 0.000 2.056 434 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 434 L C 2.857 179.520 176.870 -0.344 0.000 1.078 434 L CA 1.563 56.287 54.840 -0.194 0.000 0.749 434 L CB -0.479 41.516 42.059 -0.107 0.000 0.901 434 L HN 0.437 nan 8.230 nan 0.000 0.433 435 Q N 0.572 120.050 119.800 -0.536 0.000 2.050 435 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 435 Q C 2.144 177.757 176.000 -0.645 0.000 0.980 435 Q CA 2.051 57.482 55.803 -0.620 0.000 0.840 435 Q CB -0.694 27.434 28.738 -1.016 0.000 0.898 435 Q HN 0.397 nan 8.270 nan 0.000 0.424 436 G N -0.629 107.568 108.800 -1.006 0.000 2.442 436 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 436 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 436 G C 1.582 175.830 174.900 -1.085 0.000 1.141 436 G CA 1.058 45.119 45.100 -1.732 0.000 0.763 436 G HN 0.498 nan 8.290 nan 0.000 0.554 437 C N 0.049 118.955 119.300 -0.656 0.000 2.432 437 C HA 0.115 4.574 4.460 -0.001 0.000 0.280 437 C C 2.739 177.640 174.990 -0.149 0.000 1.353 437 C CA 0.912 59.816 59.018 -0.190 0.000 1.766 437 C CB -0.809 26.884 27.740 -0.079 0.000 1.924 437 C HN 0.573 nan 8.230 nan 0.000 0.509 438 M N 0.607 120.085 119.600 -0.204 0.000 2.065 438 M HA -0.205 4.274 4.480 -0.001 0.000 0.259 438 M C 2.027 178.275 176.300 -0.087 0.000 1.069 438 M CA 1.973 57.194 55.300 -0.131 0.000 1.110 438 M CB -0.450 32.063 32.600 -0.145 0.000 1.328 438 M HN 0.350 nan 8.290 nan 0.000 0.405 439 D N -0.202 120.142 120.400 -0.093 0.000 2.144 439 D HA -0.166 4.474 4.640 -0.001 0.000 0.200 439 D C 1.867 178.151 176.300 -0.025 0.000 0.978 439 D CA 1.140 55.109 54.000 -0.052 0.000 0.833 439 D CB -0.029 40.742 40.800 -0.048 0.000 0.961 439 D HN 0.201 nan 8.370 nan 0.000 0.470 440 K N 0.796 121.187 120.400 -0.014 0.000 2.097 440 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 440 K C 1.922 178.521 176.600 -0.001 0.000 1.050 440 K CA 1.542 57.835 56.287 0.010 0.000 0.938 440 K CB -0.759 31.768 32.500 0.045 0.000 0.718 440 K HN 0.088 nan 8.250 nan 0.000 0.442 441 G N 0.582 109.375 108.800 -0.012 0.000 2.408 441 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 441 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 441 G C 1.542 176.434 174.900 -0.013 0.000 1.150 441 G CA 0.877 45.970 45.100 -0.012 0.000 0.776 441 G HN 0.376 nan 8.290 nan 0.000 0.542 442 K N 0.318 120.707 120.400 -0.019 0.000 1.978 442 K HA -0.121 4.198 4.320 -0.001 0.000 0.214 442 K C 2.401 178.995 176.600 -0.010 0.000 1.049 442 K CA 1.664 57.942 56.287 -0.016 0.000 0.939 442 K CB -0.221 32.267 32.500 -0.019 0.000 0.721 442 K HN 0.376 nan 8.250 nan 0.000 0.441 443 E N 0.483 120.678 120.200 -0.007 0.000 2.055 443 E HA -0.270 4.080 4.350 -0.001 0.000 0.209 443 E C 2.095 178.693 176.600 -0.003 0.000 1.036 443 E CA 2.056 58.454 56.400 -0.003 0.000 0.849 443 E CB -0.270 29.430 29.700 -0.000 0.000 0.767 443 E HN 0.255 nan 8.360 nan 0.000 0.461 444 L N 1.277 122.498 121.223 -0.003 0.000 2.021 444 L HA -0.240 4.100 4.340 -0.001 0.000 0.215 444 L C 1.532 178.399 176.870 -0.005 0.000 1.074 444 L CA 0.856 55.694 54.840 -0.004 0.000 0.760 444 L CB -1.198 40.859 42.059 -0.003 0.000 0.889 444 L HN 0.230 nan 8.230 nan 0.000 0.433 480 S N 2.727 118.434 115.700 0.012 0.000 2.533 480 S HA 0.693 5.163 4.470 -0.001 0.000 0.271 480 S C -0.073 174.511 174.600 -0.027 0.000 1.143 480 S CA -0.515 57.684 58.200 -0.002 0.000 0.891 480 S CB 1.253 64.447 63.200 -0.010 0.000 1.105 480 S HN 0.580 nan 8.310 nan 0.000 0.468 481 L N 2.679 123.874 121.223 -0.047 0.000 2.628 481 L HA 0.299 4.639 4.340 -0.001 0.000 0.229 481 L C 1.185 177.967 176.870 -0.148 0.000 1.137 481 L CA -0.037 54.721 54.840 -0.137 0.000 0.909 481 L CB 0.283 42.253 42.059 -0.148 0.000 1.137 481 L HN 0.688 nan 8.230 nan 0.000 0.470 482 S N 0.130 115.779 115.700 -0.084 0.000 2.552 482 S HA 0.223 4.692 4.470 -0.001 0.000 0.289 482 S C 1.444 175.992 174.600 -0.087 0.000 1.304 482 S CA 0.760 58.917 58.200 -0.072 0.000 1.063 482 S CB 0.571 63.744 63.200 -0.044 0.000 0.848 482 S HN 0.654 nan 8.310 nan 0.000 0.499 483 G N 3.408 112.158 108.800 -0.084 0.000 2.234 483 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.260 483 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.260 483 G C 0.588 175.431 174.900 -0.095 0.000 0.987 483 G CA 0.606 45.661 45.100 -0.075 0.000 0.625 483 G HN 0.684 nan 8.290 nan 0.000 0.532 484 L N -0.315 120.801 121.223 -0.178 0.000 2.435 484 L HA 0.324 4.663 4.340 -0.001 0.000 0.195 484 L C 1.606 178.328 176.870 -0.246 0.000 1.072 484 L CA 0.171 54.838 54.840 -0.289 0.000 0.833 484 L CB -0.168 41.511 42.059 -0.632 0.000 1.081 484 L HN 0.109 nan 8.230 nan 0.000 0.485 485 V N 0.487 120.240 119.914 -0.269 0.000 2.811 485 V HA -0.040 4.080 4.120 -0.001 0.000 0.302 485 V C 0.473 176.607 176.094 0.067 0.000 1.063 485 V CA -0.349 61.952 62.300 0.002 0.000 1.088 485 V CB 0.513 32.345 31.823 0.015 0.000 0.982 485 V HN 0.221 nan 8.190 nan 0.000 0.485 486 H N 6.032 125.141 119.070 0.065 0.000 2.897 486 H HA 0.067 4.622 4.556 -0.001 0.000 0.347 486 H C -1.731 173.613 175.328 0.027 0.000 1.068 486 H CA -1.270 54.805 56.048 0.045 0.000 1.426 486 H CB 1.686 31.480 29.762 0.054 0.000 1.410 486 H HN 0.375 nan 8.280 nan 0.000 0.597 487 P HA -0.148 nan 4.420 nan 0.000 0.217 487 P C 0.853 178.188 177.300 0.058 0.000 1.148 487 P CA 1.479 64.502 63.100 -0.129 0.000 0.828 487 P CB 0.186 31.753 31.700 -0.221 0.000 0.783 488 E N -1.103 119.267 120.200 0.284 0.000 2.409 488 E HA -0.050 4.300 4.350 -0.001 0.000 0.198 488 E C 1.114 177.802 176.600 0.147 0.000 1.024 488 E CA 0.530 57.066 56.400 0.225 0.000 0.861 488 E CB -0.304 29.540 29.700 0.239 0.000 0.788 488 E HN 0.319 nan 8.360 nan 0.000 0.521 489 L N 0.443 121.763 121.223 0.161 0.000 2.910 489 L HA 0.082 4.422 4.340 -0.001 0.000 0.252 489 L C 1.902 178.822 176.870 0.084 0.000 1.195 489 L CA -0.155 54.752 54.840 0.111 0.000 1.003 489 L CB 0.314 42.451 42.059 0.129 0.000 1.328 489 L HN 0.086 nan 8.230 nan 0.000 0.540 490 S N -0.148 115.589 115.700 0.062 0.000 2.382 490 S HA -0.265 4.205 4.470 -0.001 0.000 0.228 490 S C 2.025 176.647 174.600 0.037 0.000 1.027 490 S CA 1.096 59.318 58.200 0.036 0.000 0.991 490 S CB -0.254 62.956 63.200 0.016 0.000 0.823 490 S HN 0.515 nan 8.310 nan 0.000 0.469 491 R N 1.103 121.627 120.500 0.040 0.000 2.066 491 R HA -0.004 4.336 4.340 -0.001 0.000 0.232 491 R C 2.283 178.610 176.300 0.044 0.000 1.131 491 R CA 1.626 57.748 56.100 0.035 0.000 0.955 491 R CB -0.584 29.734 30.300 0.031 0.000 0.851 491 R HN 0.452 nan 8.270 nan 0.000 0.432 492 S N -0.216 115.517 115.700 0.055 0.000 2.402 492 S HA -0.053 4.417 4.470 -0.001 0.000 0.229 492 S C 1.789 176.437 174.600 0.081 0.000 1.021 492 S CA 1.036 59.277 58.200 0.068 0.000 0.974 492 S CB -0.215 63.033 63.200 0.080 0.000 0.800 492 S HN 0.674 nan 8.310 nan 0.000 0.484 493 G N 1.395 110.243 108.800 0.079 0.000 2.440 493 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 493 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 493 G C 1.261 176.199 174.900 0.064 0.000 1.154 493 G CA 0.782 45.928 45.100 0.077 0.000 0.767 493 G HN 0.519 nan 8.290 nan 0.000 0.552 494 E N -0.029 120.200 120.200 0.049 0.000 2.072 494 E HA -0.006 4.344 4.350 -0.001 0.000 0.191 494 E C 2.612 179.243 176.600 0.052 0.000 0.985 494 E CA 0.332 56.758 56.400 0.043 0.000 0.801 494 E CB -0.199 29.520 29.700 0.031 0.000 0.750 494 E HN 0.358 nan 8.360 nan 0.000 0.452 495 L N 0.672 121.926 121.223 0.052 0.000 2.021 495 L HA -0.287 4.053 4.340 -0.001 0.000 0.215 495 L C 2.607 179.518 176.870 0.068 0.000 1.074 495 L CA 1.342 56.213 54.840 0.051 0.000 0.760 495 L CB -0.601 41.485 42.059 0.045 0.000 0.889 495 L HN 0.195 nan 8.230 nan 0.000 0.433 496 A N -0.570 122.304 122.820 0.090 0.000 1.902 496 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 496 A C 2.289 179.950 177.584 0.127 0.000 1.181 496 A CA 1.729 53.838 52.037 0.120 0.000 0.623 496 A CB -0.753 18.339 19.000 0.152 0.000 0.818 496 A HN 0.218 nan 8.150 nan 0.000 0.443 497 V N 0.527 120.507 119.914 0.109 0.000 2.343 497 V HA -0.236 3.884 4.120 -0.001 0.000 0.247 497 V C 2.706 178.849 176.094 0.082 0.000 1.051 497 V CA 1.993 64.352 62.300 0.099 0.000 1.036 497 V CB -0.831 31.035 31.823 0.072 0.000 0.654 497 V HN 0.482 nan 8.190 nan 0.000 0.451 498 R N 0.605 121.146 120.500 0.068 0.000 2.081 498 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 498 R C 2.441 178.783 176.300 0.072 0.000 1.131 498 R CA 1.566 57.702 56.100 0.060 0.000 0.960 498 R CB -1.171 29.157 30.300 0.047 0.000 0.856 498 R HN 0.525 nan 8.270 nan 0.000 0.436 499 A N 1.779 124.645 122.820 0.077 0.000 1.908 499 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 499 A C 2.327 179.982 177.584 0.117 0.000 1.181 499 A CA 1.282 53.371 52.037 0.086 0.000 0.627 499 A CB -0.681 18.362 19.000 0.071 0.000 0.818 499 A HN 0.286 nan 8.150 nan 0.000 0.445 500 L N -0.464 120.830 121.223 0.118 0.000 2.042 500 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 500 L C 2.512 179.467 176.870 0.142 0.000 1.076 500 L CA 2.229 57.151 54.840 0.136 0.000 0.749 500 L CB -0.368 41.765 42.059 0.123 0.000 0.893 500 L HN 0.524 nan 8.230 nan 0.000 0.432 501 E N -0.729 119.530 120.200 0.098 0.000 2.051 501 E HA -0.296 4.053 4.350 -0.001 0.000 0.192 501 E C 2.191 178.833 176.600 0.069 0.000 0.991 501 E CA 1.624 58.066 56.400 0.070 0.000 0.799 501 E CB -0.139 29.593 29.700 0.052 0.000 0.748 501 E HN 0.623 nan 8.360 nan 0.000 0.449 502 Q N -0.156 119.695 119.800 0.086 0.000 2.096 502 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 502 Q C 2.011 178.067 176.000 0.092 0.000 0.982 502 Q CA 1.521 57.372 55.803 0.080 0.000 0.850 502 Q CB -0.232 28.558 28.738 0.088 0.000 0.901 502 Q HN 0.253 nan 8.270 nan 0.000 0.422 503 F N 0.889 120.821 119.950 -0.030 0.000 2.084 503 F HA -0.140 4.386 4.527 -0.001 0.000 0.296 503 F C 2.140 177.885 175.800 -0.091 0.000 1.111 503 F CA 1.372 59.329 58.000 -0.073 0.000 1.224 503 F CB -0.480 38.452 39.000 -0.114 0.000 0.991 503 F HN 0.004 nan 8.300 nan 0.000 0.471 504 A N -0.478 122.302 122.820 -0.066 0.000 1.933 504 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 504 A C 2.170 179.671 177.584 -0.140 0.000 1.175 504 A CA 2.229 54.176 52.037 -0.149 0.000 0.628 504 A CB -1.459 17.536 19.000 -0.008 0.000 0.814 504 A HN 0.464 nan 8.150 nan 0.000 0.444 505 T N -0.228 114.279 114.554 -0.077 0.000 2.684 505 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 505 T C 1.888 176.540 174.700 -0.081 0.000 1.036 505 T CA 1.713 63.780 62.100 -0.055 0.000 1.148 505 T CB -0.497 68.359 68.868 -0.021 0.000 0.863 505 T HN 0.175 nan 8.240 nan 0.000 0.436 506 V N 1.171 121.015 119.914 -0.115 0.000 2.295 506 V HA -0.157 3.963 4.120 -0.001 0.000 0.246 506 V C 2.686 178.695 176.094 -0.143 0.000 1.049 506 V CA 1.301 63.534 62.300 -0.111 0.000 1.024 506 V CB -0.809 30.950 31.823 -0.106 0.000 0.648 506 V HN 0.304 nan 8.190 nan 0.000 0.447 507 V N 0.055 119.799 119.914 -0.284 0.000 2.282 507 V HA -0.368 3.752 4.120 -0.001 0.000 0.249 507 V C 2.477 178.524 176.094 -0.078 0.000 1.057 507 V CA 2.609 64.778 62.300 -0.219 0.000 1.032 507 V CB -0.608 31.015 31.823 -0.335 0.000 0.645 507 V HN 0.705 nan 8.190 nan 0.000 0.447 508 E N -0.014 120.141 120.200 -0.075 0.000 2.051 508 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 508 E C 2.246 178.832 176.600 -0.023 0.000 0.991 508 E CA 1.407 57.788 56.400 -0.033 0.000 0.799 508 E CB -0.296 29.386 29.700 -0.031 0.000 0.748 508 E HN 0.554 nan 8.360 nan 0.000 0.449 509 A N 1.327 124.130 122.820 -0.029 0.000 1.908 509 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 509 A C 2.064 179.643 177.584 -0.008 0.000 1.181 509 A CA 1.620 53.644 52.037 -0.022 0.000 0.627 509 A CB -0.392 18.595 19.000 -0.021 0.000 0.818 509 A HN 0.092 nan 8.150 nan 0.000 0.445 510 K N -0.213 120.202 120.400 0.025 0.000 2.097 510 K HA 0.020 4.339 4.320 -0.001 0.000 0.205 510 K C 1.874 178.549 176.600 0.126 0.000 1.050 510 K CA 0.904 57.261 56.287 0.117 0.000 0.938 510 K CB -0.628 31.969 32.500 0.162 0.000 0.718 510 K HN 0.550 nan 8.250 nan 0.000 0.442 511 L N 0.466 121.727 121.223 0.062 0.000 2.056 511 L HA -0.090 4.250 4.340 -0.001 0.000 0.207 511 L C 2.395 179.280 176.870 0.024 0.000 1.078 511 L CA 0.801 55.673 54.840 0.053 0.000 0.749 511 L CB -0.318 41.759 42.059 0.029 0.000 0.901 511 L HN 0.058 nan 8.230 nan 0.000 0.433 512 I N -0.084 120.485 120.570 -0.003 0.000 2.179 512 I HA -0.343 3.827 4.170 -0.001 0.000 0.242 512 I C 2.679 178.763 176.117 -0.054 0.000 1.088 512 I CA 1.417 62.703 61.300 -0.023 0.000 1.357 512 I CB -0.277 37.706 38.000 -0.028 0.000 1.051 512 I HN 0.241 nan 8.210 nan 0.000 0.409 513 K N 0.225 120.563 120.400 -0.103 0.000 2.009 513 K HA -0.212 4.108 4.320 -0.001 0.000 0.210 513 K C 2.144 178.574 176.600 -0.284 0.000 1.049 513 K CA 1.638 57.778 56.287 -0.244 0.000 0.929 513 K CB -0.059 32.196 32.500 -0.409 0.000 0.714 513 K HN 0.410 nan 8.250 nan 0.000 0.440 514 H N 0.012 119.088 119.070 0.009 0.000 2.582 514 H HA 0.146 4.702 4.556 -0.001 0.000 0.269 514 H C 0.634 175.963 175.328 0.002 0.000 0.962 514 H CA 0.576 56.630 56.048 0.010 0.000 1.230 514 H CB 0.488 30.260 29.762 0.016 0.000 1.445 514 H HN 0.176 nan 8.280 nan 0.000 0.528 515 K N 0.237 120.690 120.400 0.089 0.000 1.867 515 K HA -0.321 3.998 4.320 -0.001 0.000 0.140 515 K C 1.286 177.916 176.600 0.049 0.000 1.408 515 K CA 1.735 58.051 56.287 0.050 0.000 0.461 515 K CB -0.740 31.775 32.500 0.025 0.000 0.594 515 K HN 0.125 nan 8.250 nan 0.000 0.888 516 K N 0.741 121.158 120.400 0.028 0.000 2.211 516 K HA -0.075 4.245 4.320 -0.001 0.000 0.203 516 K C 2.024 178.633 176.600 0.015 0.000 1.050 516 K CA 1.304 57.599 56.287 0.013 0.000 0.945 516 K CB -0.260 32.243 32.500 0.004 0.000 0.732 516 K HN 0.620 nan 8.250 nan 0.000 0.451 517 G N 1.233 110.054 108.800 0.035 0.000 2.776 517 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.209 517 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.209 517 G C 1.266 176.170 174.900 0.006 0.000 1.145 517 G CA -0.088 45.030 45.100 0.030 0.000 0.791 517 G HN 0.243 nan 8.290 nan 0.000 0.530 518 I N 0.574 121.158 120.570 0.024 0.000 2.530 518 I HA -0.176 3.994 4.170 -0.001 0.000 0.257 518 I C 2.387 178.455 176.117 -0.081 0.000 1.179 518 I CA 0.585 61.858 61.300 -0.045 0.000 1.440 518 I CB 0.226 38.238 38.000 0.019 0.000 1.087 518 I HN 0.077 nan 8.210 nan 0.000 0.440 519 V N 0.879 120.761 119.914 -0.054 0.000 2.594 519 V HA -0.268 3.851 4.120 -0.001 0.000 0.253 519 V C 1.425 177.468 176.094 -0.084 0.000 1.069 519 V CA 2.181 64.446 62.300 -0.058 0.000 1.082 519 V CB -1.052 30.747 31.823 -0.040 0.000 0.680 519 V HN 0.544 nan 8.190 nan 0.000 0.469 520 N N -0.466 118.174 118.700 -0.099 0.000 2.280 520 N HA 0.029 4.768 4.740 -0.001 0.000 0.192 520 N C 0.281 175.671 175.510 -0.199 0.000 1.109 520 N CA -0.066 52.909 53.050 -0.126 0.000 0.855 520 N CB 0.292 38.725 38.487 -0.089 0.000 0.974 520 N HN 0.322 nan 8.380 nan 0.000 0.482 521 E N 1.291 121.357 120.200 -0.223 0.000 2.028 521 E HA 0.057 4.407 4.350 -0.001 0.000 0.275 521 E C 0.353 176.773 176.600 -0.300 0.000 1.171 521 E CA 0.046 56.270 56.400 -0.294 0.000 1.186 521 E CB 0.359 29.826 29.700 -0.389 0.000 1.256 521 E HN 0.441 nan 8.360 nan 0.000 0.474 522 Q N -0.098 119.449 119.800 -0.422 0.000 2.172 522 Q HA -0.080 4.260 4.340 -0.001 0.000 0.200 522 Q C 1.094 176.912 176.000 -0.303 0.000 0.964 522 Q CA 0.980 56.572 55.803 -0.353 0.000 0.855 522 Q CB -0.020 28.498 28.738 -0.367 0.000 0.918 522 Q HN 0.360 nan 8.270 nan 0.000 0.444 523 F N 0.730 120.529 119.950 -0.253 0.000 2.095 523 F HA -0.234 4.292 4.527 -0.001 0.000 0.298 523 F C 2.159 177.831 175.800 -0.214 0.000 1.104 523 F CA 0.794 58.588 58.000 -0.343 0.000 1.232 523 F CB -1.030 37.411 39.000 -0.933 0.000 0.987 523 F HN 0.112 nan 8.300 nan 0.000 0.475 524 L N 0.282 121.475 121.223 -0.050 0.000 2.017 524 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 524 L C 2.038 178.958 176.870 0.084 0.000 1.073 524 L CA 1.713 56.607 54.840 0.089 0.000 0.745 524 L CB -1.009 41.085 42.059 0.058 0.000 0.894 524 L HN 0.141 nan 8.230 nan 0.000 0.432 525 L N -0.490 120.745 121.223 0.020 0.000 2.083 525 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 525 L C 2.748 179.680 176.870 0.104 0.000 1.083 525 L CA 1.601 56.475 54.840 0.057 0.000 0.752 525 L CB -0.882 41.181 42.059 0.008 0.000 0.899 525 L HN 0.508 nan 8.230 nan 0.000 0.433 526 Q N 1.035 120.886 119.800 0.084 0.000 2.084 526 Q HA -0.221 4.119 4.340 -0.001 0.000 0.202 526 Q C 2.276 178.365 176.000 0.148 0.000 0.978 526 Q CA 1.625 57.494 55.803 0.109 0.000 0.844 526 Q CB 0.015 28.806 28.738 0.089 0.000 0.898 526 Q HN 0.453 nan 8.270 nan 0.000 0.426 527 R N -0.085 120.514 120.500 0.166 0.000 2.092 527 R HA -0.018 4.322 4.340 -0.001 0.000 0.231 527 R C 2.581 179.013 176.300 0.219 0.000 1.119 527 R CA 1.164 57.379 56.100 0.191 0.000 0.970 527 R CB -0.219 30.212 30.300 0.218 0.000 0.864 527 R HN 0.261 nan 8.270 nan 0.000 0.440 528 L N 0.012 121.373 121.223 0.230 0.000 2.056 528 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 528 L C 2.639 179.740 176.870 0.385 0.000 1.078 528 L CA 1.187 56.220 54.840 0.322 0.000 0.749 528 L CB -0.593 41.621 42.059 0.258 0.000 0.901 528 L HN 0.269 nan 8.230 nan 0.000 0.433 529 A N -0.045 122.953 122.820 0.296 0.000 1.908 529 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 529 A C 1.898 179.612 177.584 0.216 0.000 1.181 529 A CA 2.092 54.292 52.037 0.271 0.000 0.627 529 A CB -0.534 18.593 19.000 0.212 0.000 0.818 529 A HN 0.366 nan 8.150 nan 0.000 0.445 530 D N -0.347 120.169 120.400 0.194 0.000 2.144 530 D HA -0.072 4.567 4.640 -0.001 0.000 0.199 530 D C 2.092 178.475 176.300 0.138 0.000 0.984 530 D CA 1.408 55.511 54.000 0.172 0.000 0.834 530 D CB -0.763 40.130 40.800 0.155 0.000 0.955 530 D HN 0.431 nan 8.370 nan 0.000 0.465 531 G N 0.975 109.855 108.800 0.134 0.000 2.459 531 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 531 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 531 G C 1.755 176.475 174.900 -0.299 0.000 1.183 531 G CA 1.536 46.642 45.100 0.009 0.000 0.776 531 G HN 0.398 nan 8.290 nan 0.000 0.552 532 A N 0.822 123.414 122.820 -0.380 0.000 1.892 532 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 532 A C 2.435 180.011 177.584 -0.013 0.000 1.188 532 A CA 1.589 53.398 52.037 -0.380 0.000 0.631 532 A CB -0.452 18.565 19.000 0.028 0.000 0.822 532 A HN 0.404 nan 8.150 nan 0.000 0.447 533 I N -0.329 120.314 120.570 0.122 0.000 2.163 533 I HA -0.265 3.904 4.170 -0.001 0.000 0.243 533 I C 1.969 178.241 176.117 0.258 0.000 1.085 533 I CA 1.722 63.167 61.300 0.242 0.000 1.347 533 I CB -0.428 37.759 38.000 0.311 0.000 1.044 533 I HN 0.265 nan 8.210 nan 0.000 0.408 534 D N 0.336 120.868 120.400 0.220 0.000 2.178 534 D HA -0.118 4.521 4.640 -0.001 0.000 0.202 534 D C 2.026 178.444 176.300 0.196 0.000 0.974 534 D CA 0.939 55.098 54.000 0.266 0.000 0.841 534 D CB -0.041 40.853 40.800 0.156 0.000 0.953 534 D HN 0.129 nan 8.370 nan 0.000 0.478 535 L N 0.095 121.364 121.223 0.077 0.000 2.027 535 L HA -0.166 4.174 4.340 -0.001 0.000 0.206 535 L C 2.172 179.164 176.870 0.203 0.000 1.074 535 L CA 1.501 56.395 54.840 0.089 0.000 0.745 535 L CB -0.997 41.007 42.059 -0.092 0.000 0.898 535 L HN 0.020 nan 8.230 nan 0.000 0.433 536 Y N 0.222 120.568 120.300 0.076 0.000 2.145 536 Y HA -0.238 4.311 4.550 -0.001 0.000 0.286 536 Y C 2.418 178.251 175.900 -0.112 0.000 1.145 536 Y CA 1.543 59.642 58.100 -0.001 0.000 1.148 536 Y CB -0.751 37.739 38.460 0.051 0.000 0.981 536 Y HN 0.246 nan 8.280 nan 0.000 0.507 537 A N 0.218 122.981 122.820 -0.096 0.000 1.917 537 A HA -0.292 4.027 4.320 -0.001 0.000 0.219 537 A C 2.380 179.851 177.584 -0.188 0.000 1.182 537 A CA 2.363 54.215 52.037 -0.307 0.000 0.633 537 A CB -0.873 18.053 19.000 -0.125 0.000 0.819 537 A HN 0.586 nan 8.150 nan 0.000 0.448 538 M N -0.445 119.226 119.600 0.119 0.000 2.067 538 M HA -0.158 4.322 4.480 -0.001 0.000 0.260 538 M C 2.216 178.504 176.300 -0.021 0.000 1.069 538 M CA 2.100 57.505 55.300 0.175 0.000 1.117 538 M CB -0.502 32.218 32.600 0.200 0.000 1.334 538 M HN 0.485 nan 8.290 nan 0.000 0.407 539 V N -3.455 116.369 119.914 -0.151 0.000 2.719 539 V HA -0.061 4.058 4.120 -0.001 0.000 0.252 539 V C 2.047 177.869 176.094 -0.454 0.000 1.065 539 V CA 0.946 63.101 62.300 -0.242 0.000 1.086 539 V CB -1.030 30.531 31.823 -0.436 0.000 0.700 539 V HN 0.257 nan 8.190 nan 0.000 0.467 540 V N 1.501 121.071 119.914 -0.572 0.000 2.295 540 V HA -0.199 3.920 4.120 -0.001 0.000 0.246 540 V C 2.796 178.655 176.094 -0.392 0.000 1.049 540 V CA 2.353 64.304 62.300 -0.583 0.000 1.024 540 V CB -0.266 31.097 31.823 -0.767 0.000 0.648 540 V HN 0.651 nan 8.190 nan 0.000 0.447 541 V N -2.476 117.238 119.914 -0.333 0.000 2.719 541 V HA -0.063 4.056 4.120 -0.001 0.000 0.252 541 V C 2.148 178.204 176.094 -0.063 0.000 1.065 541 V CA 1.313 63.495 62.300 -0.196 0.000 1.086 541 V CB -0.657 31.101 31.823 -0.107 0.000 0.700 541 V HN 0.419 nan 8.190 nan 0.000 0.467 542 L N 0.883 122.083 121.223 -0.038 0.000 2.017 542 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 542 L C 3.013 179.931 176.870 0.081 0.000 1.073 542 L CA 2.096 56.991 54.840 0.091 0.000 0.745 542 L CB -0.651 41.540 42.059 0.220 0.000 0.894 542 L HN 0.502 nan 8.230 nan 0.000 0.432 543 S N -0.232 115.337 115.700 -0.217 0.000 2.348 543 S HA -0.264 4.205 4.470 -0.001 0.000 0.221 543 S C 2.202 176.742 174.600 -0.100 0.000 1.033 543 S CA 1.668 59.637 58.200 -0.385 0.000 1.010 543 S CB -0.167 62.517 63.200 -0.860 0.000 0.891 543 S HN 0.321 nan 8.310 nan 0.000 0.442 544 R N 0.408 120.795 120.500 -0.188 0.000 2.073 544 R HA -0.009 4.331 4.340 -0.001 0.000 0.234 544 R C 2.416 178.592 176.300 -0.207 0.000 1.134 544 R CA 1.441 57.277 56.100 -0.439 0.000 0.952 544 R CB -0.734 29.080 30.300 -0.809 0.000 0.850 544 R HN 0.463 nan 8.270 nan 0.000 0.433 545 A N -0.034 122.749 122.820 -0.061 0.000 1.933 545 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 545 A C 2.176 179.746 177.584 -0.023 0.000 1.175 545 A CA 1.780 53.807 52.037 -0.017 0.000 0.628 545 A CB -0.456 18.553 19.000 0.014 0.000 0.814 545 A HN 0.428 nan 8.150 nan 0.000 0.444 546 S N -0.884 114.844 115.700 0.048 0.000 2.368 546 S HA -0.166 4.303 4.470 -0.001 0.000 0.225 546 S C 2.111 176.764 174.600 0.088 0.000 1.030 546 S CA 1.389 59.664 58.200 0.125 0.000 0.999 546 S CB -0.320 63.043 63.200 0.272 0.000 0.844 546 S HN 0.682 nan 8.310 nan 0.000 0.459 547 R N 0.915 121.451 120.500 0.060 0.000 2.073 547 R HA -0.073 4.266 4.340 -0.001 0.000 0.234 547 R C 2.556 178.850 176.300 -0.010 0.000 1.134 547 R CA 1.629 57.755 56.100 0.043 0.000 0.952 547 R CB -0.629 29.694 30.300 0.038 0.000 0.850 547 R HN 0.337 nan 8.270 nan 0.000 0.433 548 S N 0.506 116.162 115.700 -0.072 0.000 2.365 548 S HA -0.160 4.309 4.470 -0.001 0.000 0.225 548 S C 1.966 176.538 174.600 -0.046 0.000 1.039 548 S CA 1.571 59.730 58.200 -0.068 0.000 1.033 548 S CB -0.247 62.886 63.200 -0.110 0.000 0.887 548 S HN 0.362 nan 8.310 nan 0.000 0.447 549 L N 0.657 121.797 121.223 -0.138 0.000 2.017 549 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 549 L C 2.776 179.533 176.870 -0.188 0.000 1.073 549 L CA 1.412 56.062 54.840 -0.316 0.000 0.745 549 L CB -0.611 40.966 42.059 -0.804 0.000 0.894 549 L HN 0.276 nan 8.230 nan 0.000 0.432 550 S N -0.456 115.238 115.700 -0.009 0.000 2.370 550 S HA -0.204 4.265 4.470 -0.001 0.000 0.226 550 S C 1.752 176.404 174.600 0.087 0.000 1.033 550 S CA 1.364 59.654 58.200 0.150 0.000 1.011 550 S CB -0.211 63.097 63.200 0.180 0.000 0.852 550 S HN 0.458 nan 8.310 nan 0.000 0.457 551 E N 0.004 120.239 120.200 0.058 0.000 2.481 551 E HA 0.162 4.511 4.350 -0.001 0.000 0.195 551 E C 1.149 177.780 176.600 0.053 0.000 1.047 551 E CA 0.237 56.673 56.400 0.060 0.000 0.867 551 E CB -0.055 29.688 29.700 0.072 0.000 0.858 551 E HN 0.525 nan 8.360 nan 0.000 0.513 552 G N 2.410 111.232 108.800 0.036 0.000 2.249 552 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.273 552 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.273 552 G C 0.006 174.920 174.900 0.024 0.000 1.036 552 G CA 0.408 45.519 45.100 0.019 0.000 0.824 552 G HN 0.471 nan 8.290 nan 0.000 0.504 553 H N 0.677 119.724 119.070 -0.038 0.000 2.871 553 H HA 0.138 4.693 4.556 -0.001 0.000 0.355 553 H C -0.896 174.409 175.328 -0.038 0.000 1.092 553 H CA -0.299 55.726 56.048 -0.038 0.000 1.420 553 H CB 1.115 30.850 29.762 -0.045 0.000 1.400 553 H HN 0.089 nan 8.280 nan 0.000 0.604 554 P HA -0.098 nan 4.420 nan 0.000 0.222 554 P C 0.980 178.272 177.300 -0.013 0.000 1.147 554 P CA 1.587 64.573 63.100 -0.191 0.000 0.790 554 P CB 0.101 31.636 31.700 -0.276 0.000 0.780 555 T N -4.810 109.857 114.554 0.190 0.000 3.122 555 T HA 0.435 4.785 4.350 -0.001 0.000 0.250 555 T C 1.618 176.388 174.700 0.116 0.000 1.067 555 T CA 0.285 62.479 62.100 0.157 0.000 0.966 555 T CB -0.448 68.526 68.868 0.176 0.000 1.002 555 T HN -0.047 nan 8.240 nan 0.000 0.542 556 A N 1.825 124.700 122.820 0.093 0.000 1.933 556 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 556 A C 2.505 180.073 177.584 -0.027 0.000 1.175 556 A CA 1.005 53.050 52.037 0.012 0.000 0.628 556 A CB -0.484 18.507 19.000 -0.014 0.000 0.814 556 A HN 0.406 nan 8.150 nan 0.000 0.444 557 Q N -0.981 118.816 119.800 -0.006 0.000 2.172 557 Q HA -0.145 4.195 4.340 -0.001 0.000 0.200 557 Q C 1.955 177.950 176.000 -0.007 0.000 0.964 557 Q CA 1.498 57.293 55.803 -0.014 0.000 0.855 557 Q CB -0.562 28.175 28.738 -0.001 0.000 0.918 557 Q HN 0.946 nan 8.270 nan 0.000 0.444 558 H N 0.943 119.963 119.070 -0.083 0.000 2.357 558 H HA -0.042 4.513 4.556 -0.001 0.000 0.301 558 H C 1.316 176.532 175.328 -0.186 0.000 1.082 558 H CA 1.304 57.284 56.048 -0.114 0.000 1.342 558 H CB 0.535 30.231 29.762 -0.109 0.000 1.389 558 H HN 0.312 nan 8.280 nan 0.000 0.511 559 E N 0.694 120.730 120.200 -0.274 0.000 2.110 559 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 559 E C 2.364 178.791 176.600 -0.288 0.000 0.988 559 E CA 0.734 56.876 56.400 -0.431 0.000 0.804 559 E CB 0.052 29.611 29.700 -0.234 0.000 0.745 559 E HN 0.393 nan 8.360 nan 0.000 0.458 560 K N 0.958 121.261 120.400 -0.162 0.000 2.063 560 K HA -0.191 4.129 4.320 -0.001 0.000 0.208 560 K C 2.219 178.758 176.600 -0.103 0.000 1.048 560 K CA 1.395 57.624 56.287 -0.096 0.000 0.928 560 K CB -0.085 32.378 32.500 -0.062 0.000 0.713 560 K HN 0.091 nan 8.250 nan 0.000 0.442 561 M N 0.813 120.326 119.600 -0.146 0.000 2.117 561 M HA -0.167 4.313 4.480 -0.001 0.000 0.262 561 M C 1.866 178.067 176.300 -0.165 0.000 1.065 561 M CA 1.414 56.633 55.300 -0.134 0.000 1.114 561 M CB -0.031 32.493 32.600 -0.126 0.000 1.361 561 M HN 0.199 nan 8.290 nan 0.000 0.408 562 L N -0.575 120.451 121.223 -0.327 0.000 2.012 562 L HA -0.310 4.029 4.340 -0.001 0.000 0.210 562 L C 2.845 179.679 176.870 -0.060 0.000 1.073 562 L CA 1.566 56.233 54.840 -0.287 0.000 0.748 562 L CB -1.120 40.555 42.059 -0.640 0.000 0.891 562 L HN 0.575 nan 8.230 nan 0.000 0.431 563 C N 0.478 119.742 119.300 -0.060 0.000 2.413 563 C HA -0.213 4.247 4.460 -0.001 0.000 0.277 563 C C 2.556 177.621 174.990 0.124 0.000 1.228 563 C CA 1.376 60.444 59.018 0.083 0.000 1.731 563 C CB -0.769 27.007 27.740 0.060 0.000 2.042 563 C HN 0.546 nan 8.230 nan 0.000 0.468 564 D N 0.002 120.436 120.400 0.056 0.000 2.104 564 D HA -0.109 4.531 4.640 -0.001 0.000 0.194 564 D C 2.314 178.650 176.300 0.059 0.000 0.994 564 D CA 2.149 56.181 54.000 0.054 0.000 0.830 564 D CB -0.765 40.049 40.800 0.023 0.000 0.959 564 D HN 0.563 nan 8.370 nan 0.000 0.452 565 T N 0.709 115.296 114.554 0.054 0.000 2.684 565 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 565 T C 1.657 176.410 174.700 0.088 0.000 1.036 565 T CA 1.001 63.133 62.100 0.055 0.000 1.148 565 T CB -0.424 68.469 68.868 0.043 0.000 0.863 565 T HN 0.367 nan 8.240 nan 0.000 0.436 566 W N 1.222 122.524 121.300 0.003 0.000 2.317 566 W HA -0.258 4.401 4.660 -0.001 0.000 0.318 566 W C 2.261 178.800 176.519 0.033 0.000 1.227 566 W CA 1.108 58.472 57.345 0.032 0.000 1.269 566 W CB -0.907 28.577 29.460 0.041 0.000 1.155 566 W HN 0.244 nan 8.180 nan 0.000 0.484 567 C N 0.571 119.920 119.300 0.082 0.000 2.429 567 C HA -0.199 4.261 4.460 -0.001 0.000 0.277 567 C C 2.750 177.688 174.990 -0.086 0.000 1.262 567 C CA 1.169 60.192 59.018 0.008 0.000 1.733 567 C CB -1.454 26.357 27.740 0.119 0.000 2.010 567 C HN 0.336 nan 8.230 nan 0.000 0.483 568 I N 0.778 121.312 120.570 -0.060 0.000 2.163 568 I HA -0.246 3.924 4.170 -0.001 0.000 0.243 568 I C 2.567 178.616 176.117 -0.114 0.000 1.085 568 I CA 1.744 63.007 61.300 -0.061 0.000 1.347 568 I CB -0.549 37.431 38.000 -0.034 0.000 1.044 568 I HN 0.476 nan 8.210 nan 0.000 0.408 569 E N 0.705 120.792 120.200 -0.189 0.000 2.107 569 E HA -0.134 4.216 4.350 -0.001 0.000 0.191 569 E C 2.342 178.760 176.600 -0.303 0.000 0.982 569 E CA 1.061 57.323 56.400 -0.231 0.000 0.809 569 E CB -0.141 29.414 29.700 -0.241 0.000 0.756 569 E HN 0.505 nan 8.360 nan 0.000 0.459 570 A N 1.897 124.428 122.820 -0.482 0.000 1.902 570 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 570 A C 2.447 179.942 177.584 -0.149 0.000 1.181 570 A CA 1.746 53.551 52.037 -0.385 0.000 0.623 570 A CB -0.607 18.112 19.000 -0.468 0.000 0.818 570 A HN 0.281 nan 8.150 nan 0.000 0.443 571 A N -0.171 122.586 122.820 -0.105 0.000 1.902 571 A HA 0.136 4.456 4.320 -0.001 0.000 0.217 571 A C 2.507 180.076 177.584 -0.026 0.000 1.181 571 A CA 2.181 54.198 52.037 -0.033 0.000 0.623 571 A CB -1.008 17.983 19.000 -0.015 0.000 0.818 571 A HN 1.068 nan 8.150 nan 0.000 0.443 572 A N -0.304 122.487 122.820 -0.049 0.000 1.902 572 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 572 A C 2.248 179.820 177.584 -0.020 0.000 1.181 572 A CA 1.459 53.477 52.037 -0.031 0.000 0.623 572 A CB -0.480 18.494 19.000 -0.043 0.000 0.818 572 A HN 0.538 nan 8.150 nan 0.000 0.443 573 R N -0.590 119.885 120.500 -0.041 0.000 2.091 573 R HA -0.096 4.243 4.340 -0.001 0.000 0.238 573 R C 2.007 178.323 176.300 0.026 0.000 1.136 573 R CA 1.700 57.793 56.100 -0.011 0.000 0.959 573 R CB -0.520 29.761 30.300 -0.032 0.000 0.856 573 R HN 0.596 nan 8.270 nan 0.000 0.437 574 I N 0.068 120.652 120.570 0.024 0.000 2.202 574 I HA -0.262 3.907 4.170 -0.001 0.000 0.242 574 I C 2.794 178.954 176.117 0.072 0.000 1.091 574 I CA 1.046 62.383 61.300 0.061 0.000 1.368 574 I CB -0.341 37.691 38.000 0.053 0.000 1.058 574 I HN 0.149 nan 8.210 nan 0.000 0.410 575 R N 1.144 121.673 120.500 0.049 0.000 2.094 575 R HA -0.228 4.111 4.340 -0.001 0.000 0.239 575 R C 2.199 178.529 176.300 0.049 0.000 1.137 575 R CA 1.928 58.056 56.100 0.047 0.000 0.943 575 R CB -0.125 30.193 30.300 0.030 0.000 0.850 575 R HN 0.265 nan 8.270 nan 0.000 0.433 576 E N -0.588 119.637 120.200 0.042 0.000 2.107 576 E HA -0.074 4.275 4.350 -0.001 0.000 0.191 576 E C 1.941 178.580 176.600 0.064 0.000 0.982 576 E CA 1.247 57.675 56.400 0.046 0.000 0.809 576 E CB -0.438 29.283 29.700 0.035 0.000 0.756 576 E HN 0.627 nan 8.360 nan 0.000 0.459 577 G N 1.078 109.924 108.800 0.076 0.000 2.418 577 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 577 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 577 G C 1.533 176.500 174.900 0.112 0.000 1.158 577 G CA 0.733 45.895 45.100 0.103 0.000 0.771 577 G HN 0.110 nan 8.290 nan 0.000 0.545 578 M N 1.128 120.792 119.600 0.106 0.000 2.175 578 M HA 0.149 4.628 4.480 -0.001 0.000 0.264 578 M C 2.971 179.313 176.300 0.070 0.000 1.063 578 M CA 0.976 56.334 55.300 0.096 0.000 1.119 578 M CB -1.206 31.454 32.600 0.100 0.000 1.377 578 M HN 0.314 nan 8.290 nan 0.000 0.415 579 A N 0.392 123.250 122.820 0.063 0.000 1.877 579 A HA -0.028 4.292 4.320 -0.001 0.000 0.216 579 A C 2.447 180.063 177.584 0.052 0.000 1.186 579 A CA 2.179 54.246 52.037 0.050 0.000 0.620 579 A CB -0.996 18.032 19.000 0.046 0.000 0.822 579 A HN 0.459 nan 8.150 nan 0.000 0.443 580 A N -0.354 122.505 122.820 0.066 0.000 1.948 580 A HA -0.116 4.203 4.320 -0.001 0.000 0.220 580 A C 2.158 179.777 177.584 0.059 0.000 1.177 580 A CA 1.685 53.762 52.037 0.067 0.000 0.636 580 A CB -0.580 18.474 19.000 0.090 0.000 0.815 580 A HN 0.497 nan 8.150 nan 0.000 0.449 581 L N -1.965 119.309 121.223 0.085 0.000 2.179 581 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 581 L C 2.786 179.695 176.870 0.064 0.000 1.096 581 L CA 1.547 56.449 54.840 0.103 0.000 0.779 581 L CB -0.270 41.863 42.059 0.124 0.000 0.922 581 L HN 0.553 nan 8.230 nan 0.000 0.443 582 Q N -0.760 119.064 119.800 0.041 0.000 2.387 582 Q HA -0.044 4.296 4.340 -0.001 0.000 0.212 582 Q C 1.919 177.920 176.000 0.002 0.000 0.925 582 Q CA 1.102 56.918 55.803 0.022 0.000 0.901 582 Q CB 0.529 29.277 28.738 0.017 0.000 1.020 582 Q HN 0.424 nan 8.270 nan 0.000 0.545 583 S N -0.923 114.779 115.700 0.003 0.000 2.559 583 S HA 0.135 4.604 4.470 -0.001 0.000 0.226 583 S C 0.023 174.611 174.600 -0.020 0.000 1.000 583 S CA -0.458 57.737 58.200 -0.008 0.000 0.948 583 S CB 0.526 63.729 63.200 0.005 0.000 0.870 583 S HN 0.163 nan 8.310 nan 0.000 0.497 584 D N 3.324 123.714 120.400 -0.017 0.000 2.359 584 D HA 0.295 4.935 4.640 -0.001 0.000 0.230 584 D C -1.724 174.511 176.300 -0.109 0.000 1.118 584 D CA -1.877 52.121 54.000 -0.003 0.000 0.844 584 D CB 1.992 42.824 40.800 0.053 0.000 1.059 584 D HN 0.046 nan 8.370 nan 0.000 0.493 585 P HA -0.026 nan 4.420 nan 0.000 0.229 585 P C 0.918 177.824 177.300 -0.657 0.000 1.160 585 P CA 0.578 63.371 63.100 -0.513 0.000 0.777 585 P CB 0.029 31.315 31.700 -0.691 0.000 0.814 586 W N 0.081 121.316 121.300 -0.108 0.000 2.770 586 W HA 0.128 4.787 4.660 -0.001 0.000 0.256 586 W C 2.533 178.919 176.519 -0.222 0.000 1.291 586 W CA -0.041 57.221 57.345 -0.138 0.000 1.396 586 W CB -1.016 28.380 29.460 -0.106 0.000 1.114 586 W HN -0.005 nan 8.180 nan 0.000 0.637 587 Q N 0.862 120.590 119.800 -0.120 0.000 2.096 587 Q HA -0.230 4.110 4.340 -0.001 0.000 0.204 587 Q C 2.196 177.802 176.000 -0.657 0.000 0.982 587 Q CA 1.743 57.330 55.803 -0.359 0.000 0.850 587 Q CB -0.288 28.251 28.738 -0.332 0.000 0.901 587 Q HN 0.142 nan 8.270 nan 0.000 0.422 588 Q N -0.048 119.488 119.800 -0.440 0.000 2.167 588 Q HA -0.161 4.178 4.340 -0.001 0.000 0.202 588 Q C 1.801 177.662 176.000 -0.231 0.000 0.970 588 Q CA 1.460 57.059 55.803 -0.340 0.000 0.855 588 Q CB -0.129 28.514 28.738 -0.159 0.000 0.911 588 Q HN 0.637 nan 8.270 nan 0.000 0.438 589 E N 0.634 120.719 120.200 -0.192 0.000 2.077 589 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 589 E C 2.062 178.518 176.600 -0.240 0.000 0.989 589 E CA 0.516 56.839 56.400 -0.128 0.000 0.800 589 E CB 0.004 29.705 29.700 0.002 0.000 0.746 589 E HN 0.262 nan 8.360 nan 0.000 0.452 590 L N 0.133 121.142 121.223 -0.356 0.000 2.012 590 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 590 L C 2.587 178.839 176.870 -1.031 0.000 1.073 590 L CA 1.264 55.673 54.840 -0.719 0.000 0.748 590 L CB -0.718 40.986 42.059 -0.592 0.000 0.891 590 L HN 0.269 nan 8.230 nan 0.000 0.431 591 Y N 0.250 120.124 120.300 -0.711 0.000 2.145 591 Y HA -0.177 4.372 4.550 -0.001 0.000 0.286 591 Y C 2.792 178.456 175.900 -0.393 0.000 1.145 591 Y CA 0.803 58.483 58.100 -0.700 0.000 1.148 591 Y CB -0.912 37.433 38.460 -0.193 0.000 0.981 591 Y HN 0.105 nan 8.280 nan 0.000 0.507 592 R N 0.084 120.563 120.500 -0.035 0.000 2.096 592 R HA -0.195 4.145 4.340 -0.001 0.000 0.240 592 R C 1.859 178.140 176.300 -0.032 0.000 1.139 592 R CA 1.624 57.731 56.100 0.011 0.000 0.952 592 R CB -0.320 29.976 30.300 -0.006 0.000 0.854 592 R HN 0.357 nan 8.270 nan 0.000 0.436 593 N N 0.123 118.729 118.700 -0.156 0.000 2.188 593 N HA -0.115 4.625 4.740 -0.001 0.000 0.184 593 N C 1.569 177.079 175.510 -0.000 0.000 1.018 593 N CA 1.117 54.104 53.050 -0.106 0.000 0.858 593 N CB -0.381 38.015 38.487 -0.152 0.000 0.989 593 N HN 0.073 nan 8.380 nan 0.000 0.426 594 F N 1.655 121.567 119.950 -0.063 0.000 2.120 594 F HA -0.124 4.403 4.527 -0.001 0.000 0.300 594 F C 2.323 178.158 175.800 0.058 0.000 1.095 594 F CA 0.859 58.821 58.000 -0.062 0.000 1.249 594 F CB -0.884 37.951 39.000 -0.275 0.000 0.995 594 F HN 0.089 nan 8.300 nan 0.000 0.480 595 K N 0.142 120.717 120.400 0.292 0.000 2.025 595 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 595 K C 2.196 178.895 176.600 0.166 0.000 1.049 595 K CA 1.673 58.123 56.287 0.272 0.000 0.933 595 K CB -0.158 32.512 32.500 0.283 0.000 0.714 595 K HN 0.132 nan 8.250 nan 0.000 0.438 596 S N 0.980 116.753 115.700 0.122 0.000 2.383 596 S HA -0.069 4.400 4.470 -0.001 0.000 0.227 596 S C 1.907 176.559 174.600 0.087 0.000 1.026 596 S CA 1.189 59.441 58.200 0.087 0.000 0.981 596 S CB -0.229 63.007 63.200 0.059 0.000 0.818 596 S HN 0.260 nan 8.310 nan 0.000 0.472 597 I N 1.168 121.799 120.570 0.102 0.000 2.179 597 I HA -0.180 3.990 4.170 -0.001 0.000 0.242 597 I C 2.714 178.886 176.117 0.093 0.000 1.088 597 I CA 1.181 62.539 61.300 0.097 0.000 1.357 597 I CB -0.409 37.662 38.000 0.119 0.000 1.051 597 I HN 0.282 nan 8.210 nan 0.000 0.409 598 S N 0.557 116.326 115.700 0.116 0.000 2.368 598 S HA -0.257 4.212 4.470 -0.001 0.000 0.225 598 S C 2.146 176.794 174.600 0.079 0.000 1.030 598 S CA 1.698 59.956 58.200 0.097 0.000 0.999 598 S CB -0.208 63.065 63.200 0.121 0.000 0.844 598 S HN 0.313 nan 8.310 nan 0.000 0.459 599 K N 0.505 120.955 120.400 0.084 0.000 2.063 599 K HA -0.075 4.245 4.320 -0.001 0.000 0.208 599 K C 2.142 178.774 176.600 0.054 0.000 1.048 599 K CA 1.296 57.623 56.287 0.066 0.000 0.928 599 K CB -0.501 32.039 32.500 0.067 0.000 0.713 599 K HN 0.405 nan 8.250 nan 0.000 0.442 600 A N 1.125 123.978 122.820 0.055 0.000 1.902 600 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 600 A C 2.093 179.701 177.584 0.041 0.000 1.181 600 A CA 1.228 53.292 52.037 0.045 0.000 0.623 600 A CB -0.545 18.481 19.000 0.044 0.000 0.818 600 A HN 0.307 nan 8.150 nan 0.000 0.443 601 L N -0.600 120.650 121.223 0.045 0.000 2.017 601 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 601 L C 2.535 179.427 176.870 0.036 0.000 1.073 601 L CA 1.170 56.033 54.840 0.039 0.000 0.745 601 L CB -0.672 41.412 42.059 0.041 0.000 0.894 601 L HN 0.240 nan 8.230 nan 0.000 0.432 602 V N -0.104 119.834 119.914 0.039 0.000 2.343 602 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 602 V C 2.375 178.488 176.094 0.031 0.000 1.051 602 V CA 1.827 64.147 62.300 0.035 0.000 1.036 602 V CB -0.528 31.317 31.823 0.037 0.000 0.654 602 V HN 0.451 nan 8.190 nan 0.000 0.451 603 E N -0.192 120.027 120.200 0.032 0.000 2.097 603 E HA -0.298 4.052 4.350 -0.001 0.000 0.196 603 E C 2.385 179.001 176.600 0.027 0.000 1.000 603 E CA 1.621 58.038 56.400 0.029 0.000 0.804 603 E CB -0.149 29.569 29.700 0.029 0.000 0.740 603 E HN 0.347 nan 8.360 nan 0.000 0.454 604 R N -0.497 120.020 120.500 0.028 0.000 2.173 604 R HA 0.018 4.357 4.340 -0.001 0.000 0.208 604 R C 1.117 177.432 176.300 0.025 0.000 1.035 604 R CA 1.224 57.339 56.100 0.026 0.000 1.004 604 R CB 0.222 30.537 30.300 0.026 0.000 0.917 604 R HN 0.213 nan 8.270 nan 0.000 0.462 605 G N -1.795 107.020 108.800 0.025 0.000 2.132 605 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.234 605 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.234 605 G C 0.334 175.248 174.900 0.024 0.000 0.989 605 G CA 0.198 45.313 45.100 0.024 0.000 0.676 605 G HN 0.928 nan 8.290 nan 0.000 0.522 606 G N -2.340 106.475 108.800 0.024 0.000 2.351 606 G HA2 0.484 4.444 3.960 -0.001 0.000 0.279 606 G HA3 0.484 4.444 3.960 -0.001 0.000 0.279 606 G C -0.319 174.594 174.900 0.023 0.000 1.297 606 G CA 0.182 45.296 45.100 0.023 0.000 0.886 606 G HN 1.300 nan 8.290 nan 0.000 0.493 607 V N 0.972 120.898 119.914 0.020 0.000 2.644 607 V HA 0.102 4.221 4.120 -0.001 0.000 0.305 607 V C 1.803 177.909 176.094 0.019 0.000 1.053 607 V CA 0.591 62.903 62.300 0.019 0.000 1.186 607 V CB 1.000 32.831 31.823 0.013 0.000 0.895 607 V HN 0.681 nan 8.190 nan 0.000 0.490 608 V N 3.671 123.598 119.914 0.021 0.000 2.379 608 V HA -0.060 4.059 4.120 -0.001 0.000 0.243 608 V C 1.436 177.541 176.094 0.018 0.000 1.035 608 V CA 1.578 63.892 62.300 0.022 0.000 1.035 608 V CB -0.454 31.384 31.823 0.025 0.000 0.673 608 V HN 1.069 nan 8.190 nan 0.000 0.457 609 T N -0.659 113.904 114.554 0.015 0.000 2.932 609 T HA 0.226 4.576 4.350 -0.001 0.000 0.312 609 T C 0.368 175.071 174.700 0.004 0.000 1.071 609 T CA 0.088 62.194 62.100 0.010 0.000 1.128 609 T CB 1.209 70.081 68.868 0.006 0.000 0.984 609 T HN 0.224 nan 8.240 nan 0.000 0.549 610 S N 1.539 117.240 115.700 0.002 0.000 2.633 610 S HA 0.230 4.699 4.470 -0.001 0.000 0.257 610 S C 0.701 175.281 174.600 -0.034 0.000 1.265 610 S CA -0.547 57.645 58.200 -0.013 0.000 0.980 610 S CB -0.312 62.884 63.200 -0.008 0.000 1.017 610 S HN 1.010 nan 8.310 nan 0.000 0.577 611 N N 0.517 119.178 118.700 -0.066 0.000 2.381 611 N HA 0.307 5.046 4.740 -0.001 0.000 0.254 611 N C -2.274 173.182 175.510 -0.091 0.000 1.264 611 N CA -1.058 51.942 53.050 -0.084 0.000 0.942 611 N CB -0.503 37.912 38.487 -0.121 0.000 1.190 611 N HN 0.178 nan 8.380 nan 0.000 0.495 612 P HA -0.098 nan 4.420 nan 0.000 0.221 612 P C 0.776 178.029 177.300 -0.079 0.000 1.145 612 P CA 1.059 64.122 63.100 -0.062 0.000 0.795 612 P CB 0.095 31.765 31.700 -0.050 0.000 0.775 613 L N -2.792 118.331 121.223 -0.167 0.000 2.313 613 L HA 0.100 4.439 4.340 -0.001 0.000 0.214 613 L C 1.751 178.537 176.870 -0.140 0.000 1.119 613 L CA 1.003 55.709 54.840 -0.223 0.000 0.809 613 L CB -1.086 40.651 42.059 -0.536 0.000 0.933 613 L HN 0.135 nan 8.230 nan 0.000 0.449 614 G N 0.471 109.190 108.800 -0.134 0.000 2.141 614 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.242 614 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.242 614 G C 0.074 175.056 174.900 0.136 0.000 0.982 614 G CA 0.330 45.446 45.100 0.027 0.000 0.662 614 G HN 0.418 nan 8.290 nan 0.000 0.527 615 F N 0.000 119.954 119.950 0.007 0.000 2.286 615 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 615 F CA 0.000 58.005 58.000 0.008 0.000 1.383 615 F CB 0.000 39.004 39.000 0.007 0.000 1.145 615 F HN 0.000 nan 8.300 nan 0.000 0.574