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 1wzk_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETFAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATNPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.220 176.300 -0.133 0.000 1.140 1 M CA 0.000 55.246 55.300 -0.090 0.000 0.988 1 M CB 0.000 32.548 32.600 -0.087 0.000 1.302 2 L N 2.906 124.050 121.223 -0.131 0.000 2.328 2 L HA 0.312 4.653 4.340 0.001 0.000 0.280 2 L C 0.913 177.640 176.870 -0.238 0.000 1.111 2 L CA -0.436 54.311 54.840 -0.154 0.000 0.909 2 L CB 0.254 42.249 42.059 -0.106 0.000 1.277 2 L HN 0.713 nan 8.230 nan 0.000 0.433 3 L N 1.204 122.192 121.223 -0.391 0.000 2.131 3 L HA -0.170 4.171 4.340 0.001 0.000 0.210 3 L C 1.798 178.365 176.870 -0.505 0.000 1.092 3 L CA 1.053 55.435 54.840 -0.763 0.000 0.759 3 L CB -0.230 41.084 42.059 -1.243 0.000 0.903 3 L HN 0.594 nan 8.230 nan 0.000 0.435 4 E N 0.481 120.533 120.200 -0.247 0.000 2.409 4 E HA -0.108 4.242 4.350 0.001 0.000 0.198 4 E C 1.993 178.593 176.600 0.001 0.000 1.024 4 E CA 0.959 57.314 56.400 -0.074 0.000 0.861 4 E CB -0.106 29.571 29.700 -0.038 0.000 0.788 4 E HN 0.451 nan 8.360 nan 0.000 0.521 5 A N 0.191 122.996 122.820 -0.025 0.000 2.220 5 A HA 0.180 4.501 4.320 0.001 0.000 0.211 5 A C 0.777 178.444 177.584 0.138 0.000 1.176 5 A CA -0.204 51.878 52.037 0.076 0.000 0.834 5 A CB 0.051 19.065 19.000 0.024 0.000 0.868 5 A HN 0.092 nan 8.150 nan 0.000 0.488 6 I N 0.013 120.603 120.570 0.034 0.000 2.441 6 I HA 0.336 4.507 4.170 0.001 0.000 0.287 6 I C -0.395 175.820 176.117 0.164 0.000 1.049 6 I CA 0.099 61.423 61.300 0.040 0.000 1.381 6 I CB 0.746 38.662 38.000 -0.141 0.000 1.409 6 I HN 0.318 nan 8.210 nan 0.000 0.523 7 F N 6.473 126.437 119.950 0.023 0.000 2.601 7 F HA 0.574 5.102 4.527 0.002 0.000 0.309 7 F C -0.845 174.994 175.800 0.065 0.000 1.089 7 F CA -0.348 57.687 58.000 0.058 0.000 0.940 7 F CB 1.572 40.489 39.000 -0.138 0.000 1.273 7 F HN 0.503 nan 8.300 nan 0.000 0.450 8 H N 3.410 121.799 119.070 -1.134 0.000 3.094 8 H HA 0.333 4.890 4.556 0.002 0.000 0.335 8 H C -2.171 172.423 175.328 -1.222 0.000 1.254 8 H CA -0.516 54.913 56.048 -1.032 0.000 1.240 8 H CB 2.291 31.655 29.762 -0.664 0.000 1.936 8 H HN 0.850 nan 8.280 nan 0.000 0.536 9 E N 2.174 121.402 120.200 -1.620 0.000 2.331 9 E HA 0.622 4.972 4.350 0.001 0.000 0.275 9 E C -1.108 175.033 176.600 -0.765 0.000 0.895 9 E CA -1.168 54.706 56.400 -0.875 0.000 0.753 9 E CB 2.193 31.680 29.700 -0.355 0.000 1.216 9 E HN 0.534 nan 8.360 nan 0.000 0.434 10 A N 3.629 126.324 122.820 -0.210 0.000 2.958 10 A HA 0.188 4.509 4.320 0.001 0.000 0.247 10 A C -0.026 177.704 177.584 0.243 0.000 1.679 10 A CA 0.458 52.603 52.037 0.180 0.000 1.345 10 A CB -0.967 18.221 19.000 0.313 0.000 1.013 10 A HN 0.632 nan 8.150 nan 0.000 0.641 11 K N -2.728 117.786 120.400 0.191 0.000 2.886 11 K HA 0.562 4.883 4.320 0.001 0.000 0.291 11 K C 0.591 177.346 176.600 0.259 0.000 1.057 11 K CA -0.468 55.978 56.287 0.265 0.000 0.797 11 K CB -0.412 32.181 32.500 0.155 0.000 1.490 11 K HN 1.376 nan 8.250 nan 0.000 0.365 12 G N 0.756 109.701 108.800 0.241 0.000 2.611 12 G HA2 -0.354 3.607 3.960 0.001 0.000 0.301 12 G HA3 -0.354 3.607 3.960 0.001 0.000 0.301 12 G C 0.606 175.675 174.900 0.282 0.000 1.233 12 G CA 0.669 45.904 45.100 0.226 0.000 0.993 12 G HN 0.795 nan 8.290 nan 0.000 0.553 13 S N -0.192 115.668 115.700 0.267 0.000 2.593 13 S HA 0.262 4.733 4.470 0.001 0.000 0.217 13 S C 1.415 176.046 174.600 0.052 0.000 0.966 13 S CA 1.285 59.581 58.200 0.159 0.000 0.914 13 S CB 0.033 63.241 63.200 0.014 0.000 0.776 13 S HN 0.484 nan 8.310 nan 0.000 0.523 14 Y N 1.201 121.645 120.300 0.240 0.000 2.458 14 Y HA 0.540 5.091 4.550 0.001 0.000 0.254 14 Y C 0.832 176.783 175.900 0.084 0.000 1.120 14 Y CA -0.142 58.038 58.100 0.134 0.000 1.282 14 Y CB 0.583 39.027 38.460 -0.025 0.000 1.109 14 Y HN 0.205 nan 8.280 nan 0.000 0.526 15 A N 0.298 123.250 122.820 0.221 0.000 2.497 15 A HA 0.650 4.970 4.320 0.001 0.000 0.280 15 A C -1.798 175.875 177.584 0.149 0.000 1.065 15 A CA -0.512 51.598 52.037 0.122 0.000 0.781 15 A CB -0.068 19.113 19.000 0.301 0.000 1.289 15 A HN 0.253 nan 8.150 nan 0.000 0.415 16 Y N 0.895 121.142 120.300 -0.089 0.000 2.558 16 Y HA 0.826 5.377 4.550 0.002 0.000 0.333 16 Y C -3.338 172.442 175.900 -0.200 0.000 1.125 16 Y CA -2.717 55.322 58.100 -0.103 0.000 1.039 16 Y CB 1.276 39.768 38.460 0.053 0.000 1.331 16 Y HN 0.377 nan 8.280 nan 0.000 0.456 17 P HA 0.322 nan 4.420 nan 0.000 0.277 17 P C 0.288 177.653 177.300 0.109 0.000 1.240 17 P CA -0.345 62.708 63.100 -0.077 0.000 0.798 17 P CB 2.239 33.906 31.700 -0.054 0.000 0.979 18 I N -1.279 119.305 120.570 0.024 0.000 4.288 18 I HA 0.221 4.392 4.170 0.001 0.000 0.331 18 I C 0.397 176.537 176.117 0.040 0.000 1.322 18 I CA -0.142 61.201 61.300 0.072 0.000 1.149 18 I CB 0.312 38.331 38.000 0.032 0.000 1.112 18 I HN 0.317 nan 8.210 nan 0.000 0.403 19 S N -0.594 115.113 115.700 0.013 0.000 2.727 19 S HA 0.336 4.807 4.470 0.001 0.000 0.278 19 S C 0.295 174.897 174.600 0.004 0.000 1.186 19 S CA -0.581 57.627 58.200 0.014 0.000 0.836 19 S CB 1.813 65.011 63.200 -0.003 0.000 1.186 19 S HN 0.168 nan 8.310 nan 0.000 0.499 20 E N 0.262 120.466 120.200 0.008 0.000 2.274 20 E HA -0.038 4.313 4.350 0.001 0.000 0.194 20 E C 0.965 177.536 176.600 -0.050 0.000 0.996 20 E CA 1.530 57.928 56.400 -0.003 0.000 0.840 20 E CB -0.006 29.701 29.700 0.012 0.000 0.772 20 E HN 0.778 nan 8.360 nan 0.000 0.491 21 T N -2.775 111.751 114.554 -0.047 0.000 3.132 21 T HA 0.233 4.584 4.350 0.001 0.000 0.274 21 T C 0.180 174.835 174.700 -0.074 0.000 1.011 21 T CA -0.485 61.579 62.100 -0.061 0.000 0.899 21 T CB 0.418 69.263 68.868 -0.037 0.000 1.089 21 T HN -0.113 nan 8.240 nan 0.000 0.543 22 Q N 1.117 120.861 119.800 -0.093 0.000 2.292 22 Q HA 0.626 4.966 4.340 0.001 0.000 0.270 22 Q C -1.900 173.978 176.000 -0.203 0.000 1.024 22 Q CA -0.813 54.910 55.803 -0.132 0.000 0.768 22 Q CB 2.756 31.436 28.738 -0.096 0.000 1.250 22 Q HN 0.256 nan 8.270 nan 0.000 0.447 23 L N 2.707 123.753 121.223 -0.295 0.000 2.298 23 L HA 0.505 4.846 4.340 0.001 0.000 0.284 23 L C -0.792 175.804 176.870 -0.457 0.000 1.013 23 L CA -0.403 54.185 54.840 -0.419 0.000 0.824 23 L CB 1.044 42.804 42.059 -0.499 0.000 1.221 23 L HN 0.442 nan 8.230 nan 0.000 0.418 24 R N 3.773 123.958 120.500 -0.526 0.000 2.390 24 R HA 0.690 5.030 4.340 0.001 0.000 0.291 24 R C -1.279 174.706 176.300 -0.525 0.000 1.070 24 R CA -0.240 55.537 56.100 -0.538 0.000 1.014 24 R CB 0.997 30.860 30.300 -0.728 0.000 1.007 24 R HN 0.511 nan 8.270 nan 0.000 0.466 25 V N 1.411 121.135 119.914 -0.316 0.000 2.789 25 V HA 0.726 4.846 4.120 0.001 0.000 0.311 25 V C -0.698 175.447 176.094 0.085 0.000 1.073 25 V CA -1.025 61.212 62.300 -0.104 0.000 0.921 25 V CB 2.150 33.861 31.823 -0.186 0.000 1.009 25 V HN 0.768 nan 8.190 nan 0.000 0.426 26 R N 3.230 123.894 120.500 0.275 0.000 2.744 26 R HA 0.831 5.172 4.340 0.001 0.000 0.279 26 R C -1.591 175.066 176.300 0.595 0.000 0.977 26 R CA -0.766 55.539 56.100 0.341 0.000 0.906 26 R CB 2.844 33.219 30.300 0.124 0.000 1.197 26 R HN 0.885 nan 8.270 nan 0.000 0.463 27 L N 2.179 123.689 121.223 0.478 0.000 2.455 27 L HA 0.599 4.940 4.340 0.001 0.000 0.264 27 L C -1.097 176.006 176.870 0.387 0.000 0.968 27 L CA -0.815 54.226 54.840 0.336 0.000 0.827 27 L CB 2.076 44.089 42.059 -0.077 0.000 1.317 27 L HN 0.725 nan 8.230 nan 0.000 0.407 28 R N 4.191 124.857 120.500 0.276 0.000 2.778 28 R HA 0.999 5.340 4.340 0.001 0.000 0.277 28 R C -1.458 174.940 176.300 0.163 0.000 0.977 28 R CA -0.536 55.616 56.100 0.086 0.000 0.950 28 R CB 2.087 32.225 30.300 -0.271 0.000 1.165 28 R HN 0.671 nan 8.270 nan 0.000 0.474 29 A N 1.524 124.474 122.820 0.218 0.000 2.609 29 A HA 0.406 4.727 4.320 0.001 0.000 0.291 29 A C -1.274 176.449 177.584 0.231 0.000 1.096 29 A CA -1.040 51.140 52.037 0.237 0.000 0.684 29 A CB 1.518 20.645 19.000 0.211 0.000 1.282 29 A HN 0.798 nan 8.150 nan 0.000 0.412 30 K N 1.046 121.500 120.400 0.090 0.000 2.524 30 K HA 0.012 4.333 4.320 0.001 0.000 0.279 30 K C 0.196 176.772 176.600 -0.041 0.000 0.993 30 K CA 0.149 56.380 56.287 -0.093 0.000 1.030 30 K CB 0.305 32.732 32.500 -0.122 0.000 0.891 30 K HN 0.641 nan 8.250 nan 0.000 0.488 31 K N 2.536 122.875 120.400 -0.102 0.000 2.466 31 K HA -0.097 4.223 4.320 0.001 0.000 0.278 31 K C 0.614 177.205 176.600 -0.016 0.000 1.048 31 K CA 1.242 57.502 56.287 -0.045 0.000 1.088 31 K CB -0.140 32.319 32.500 -0.068 0.000 0.884 31 K HN 0.864 nan 8.250 nan 0.000 0.478 32 G N 3.704 112.521 108.800 0.028 0.000 2.179 32 G HA2 -0.293 3.668 3.960 0.001 0.000 0.260 32 G HA3 -0.293 3.668 3.960 0.001 0.000 0.260 32 G C 0.596 175.523 174.900 0.045 0.000 0.977 32 G CA 0.520 45.643 45.100 0.038 0.000 0.641 32 G HN 0.814 nan 8.290 nan 0.000 0.533 33 D N -0.556 119.873 120.400 0.049 0.000 2.213 33 D HA 0.230 4.871 4.640 0.001 0.000 0.205 33 D C 1.053 177.384 176.300 0.053 0.000 0.961 33 D CA 1.186 55.205 54.000 0.031 0.000 0.853 33 D CB 0.265 41.069 40.800 0.006 0.000 0.967 33 D HN 0.337 nan 8.370 nan 0.000 0.496 34 V N 0.644 120.635 119.914 0.129 0.000 2.448 34 V HA 0.203 4.324 4.120 0.001 0.000 0.295 34 V C 0.947 177.159 176.094 0.197 0.000 1.025 34 V CA -0.562 61.800 62.300 0.103 0.000 0.859 34 V CB 2.037 33.879 31.823 0.032 0.000 0.988 34 V HN -0.155 nan 8.190 nan 0.000 0.431 35 V N 3.792 123.761 119.914 0.091 0.000 2.795 35 V HA 0.246 4.367 4.120 0.001 0.000 0.243 35 V C 0.844 176.999 176.094 0.102 0.000 1.069 35 V CA 0.913 63.289 62.300 0.126 0.000 1.089 35 V CB 0.087 31.953 31.823 0.071 0.000 0.756 35 V HN 0.809 nan 8.190 nan 0.000 0.471 36 R N -0.652 119.825 120.500 -0.039 0.000 2.673 36 R HA 0.578 4.919 4.340 0.001 0.000 0.281 36 R C -1.981 174.163 176.300 -0.261 0.000 0.991 36 R CA -0.356 55.695 56.100 -0.082 0.000 0.896 36 R CB 1.990 32.282 30.300 -0.013 0.000 1.201 36 R HN 0.251 nan 8.270 nan 0.000 0.457 37 C N 3.578 122.706 119.300 -0.288 0.000 2.432 37 C HA 0.506 4.967 4.460 0.001 0.000 0.334 37 C C -0.821 174.162 174.990 -0.012 0.000 1.155 37 C CA -0.300 58.558 59.018 -0.267 0.000 1.335 37 C CB 1.007 28.361 27.740 -0.644 0.000 1.964 37 C HN 1.009 nan 8.230 nan 0.000 0.444 38 E N 3.826 124.061 120.200 0.059 0.000 2.256 38 E HA 0.756 5.107 4.350 0.001 0.000 0.267 38 E C -1.447 175.211 176.600 0.096 0.000 0.892 38 E CA -0.526 55.929 56.400 0.092 0.000 0.775 38 E CB 2.010 31.766 29.700 0.094 0.000 1.207 38 E HN 0.570 nan 8.360 nan 0.000 0.420 39 V N 4.288 124.225 119.914 0.038 0.000 2.384 39 V HA 0.330 4.451 4.120 0.001 0.000 0.287 39 V C -0.808 175.295 176.094 0.016 0.000 1.020 39 V CA -0.879 61.367 62.300 -0.090 0.000 0.850 39 V CB 1.113 32.779 31.823 -0.262 0.000 0.987 39 V HN 0.555 nan 8.190 nan 0.000 0.436 40 L N 7.044 128.257 121.223 -0.018 0.000 2.280 40 L HA 0.609 4.950 4.340 0.001 0.000 0.287 40 L C -0.386 176.532 176.870 0.081 0.000 1.023 40 L CA -0.292 54.508 54.840 -0.067 0.000 0.819 40 L CB 0.414 42.401 42.059 -0.120 0.000 1.212 40 L HN 0.752 nan 8.230 nan 0.000 0.420 41 Y N 1.631 121.867 120.300 -0.108 0.000 2.638 41 Y HA 1.015 5.566 4.550 0.002 0.000 0.339 41 Y C -0.510 175.373 175.900 -0.029 0.000 1.084 41 Y CA -1.271 56.807 58.100 -0.036 0.000 1.068 41 Y CB 1.776 40.213 38.460 -0.039 0.000 1.294 41 Y HN 0.635 nan 8.280 nan 0.000 0.480 42 A N 0.774 123.637 122.820 0.071 0.000 2.540 42 A HA 0.411 4.732 4.320 0.001 0.000 0.291 42 A C -1.990 175.645 177.584 0.085 0.000 1.083 42 A CA -0.611 51.412 52.037 -0.022 0.000 0.650 42 A CB 0.831 19.796 19.000 -0.059 0.000 1.292 42 A HN 0.901 nan 8.150 nan 0.000 0.435 43 D N -0.227 120.211 120.400 0.063 0.000 2.443 43 D HA 0.249 4.890 4.640 0.001 0.000 0.239 43 D C 1.190 177.546 176.300 0.094 0.000 1.136 43 D CA 0.120 54.182 54.000 0.105 0.000 0.879 43 D CB 0.653 41.519 40.800 0.110 0.000 1.195 43 D HN 0.442 nan 8.370 nan 0.000 0.443 44 R N 2.192 122.751 120.500 0.098 0.000 2.200 44 R HA -0.184 4.156 4.340 0.001 0.000 0.234 44 R C 0.723 176.903 176.300 -0.200 0.000 1.127 44 R CA 1.161 57.230 56.100 -0.050 0.000 0.989 44 R CB -0.188 30.059 30.300 -0.089 0.000 0.869 44 R HN 0.623 nan 8.270 nan 0.000 0.459 45 Y N -0.321 119.993 120.300 0.022 0.000 2.458 45 Y HA 0.321 4.872 4.550 0.001 0.000 0.256 45 Y C 0.909 176.810 175.900 0.002 0.000 1.159 45 Y CA -0.522 57.585 58.100 0.013 0.000 1.261 45 Y CB 0.226 38.698 38.460 0.020 0.000 1.119 45 Y HN -0.020 nan 8.280 nan 0.000 0.524 46 A N 0.464 123.344 122.820 0.099 0.000 2.555 46 A HA 0.155 4.475 4.320 0.001 0.000 0.233 46 A C 0.841 178.439 177.584 0.024 0.000 1.060 46 A CA 0.205 52.272 52.037 0.050 0.000 0.759 46 A CB 0.030 19.038 19.000 0.014 0.000 0.995 46 A HN 0.240 nan 8.150 nan 0.000 0.506 47 S N 1.960 117.671 115.700 0.019 0.000 2.585 47 S HA 0.321 4.792 4.470 0.001 0.000 0.273 47 S C -1.087 173.505 174.600 -0.014 0.000 1.339 47 S CA -0.775 57.429 58.200 0.006 0.000 1.028 47 S CB 0.387 63.591 63.200 0.007 0.000 0.906 47 S HN 0.600 nan 8.310 nan 0.000 0.528 48 P HA 0.013 nan 4.420 nan 0.000 0.242 48 P C 0.112 177.393 177.300 -0.032 0.000 1.198 48 P CA 0.816 63.896 63.100 -0.034 0.000 0.756 48 P CB 0.056 31.735 31.700 -0.035 0.000 0.911 49 E N -0.709 119.477 120.200 -0.023 0.000 2.508 49 E HA 0.074 4.425 4.350 0.001 0.000 0.217 49 E C 0.221 176.809 176.600 -0.019 0.000 0.896 49 E CA -0.196 56.191 56.400 -0.020 0.000 1.118 49 E CB 0.379 30.071 29.700 -0.014 0.000 1.133 49 E HN 0.402 nan 8.360 nan 0.000 0.526 50 E N 1.886 122.074 120.200 -0.019 0.000 2.418 50 E HA 0.007 4.358 4.350 0.001 0.000 0.261 50 E C -0.154 176.429 176.600 -0.027 0.000 1.070 50 E CA 0.207 56.595 56.400 -0.020 0.000 0.931 50 E CB 0.586 30.274 29.700 -0.020 0.000 0.954 50 E HN 0.032 nan 8.360 nan 0.000 0.439 51 E N 1.775 121.962 120.200 -0.022 0.000 2.360 51 E HA 0.098 4.449 4.350 0.001 0.000 0.269 51 E C -0.204 176.368 176.600 -0.045 0.000 1.022 51 E CA 0.009 56.400 56.400 -0.016 0.000 0.887 51 E CB 0.697 30.398 29.700 0.002 0.000 0.990 51 E HN 0.305 nan 8.360 nan 0.000 0.426 52 L N 1.486 122.673 121.223 -0.058 0.000 2.399 52 L HA 0.361 4.702 4.340 0.001 0.000 0.266 52 L C 0.581 177.355 176.870 -0.161 0.000 1.114 52 L CA -0.644 54.109 54.840 -0.145 0.000 0.804 52 L CB 1.003 42.959 42.059 -0.171 0.000 1.146 52 L HN 0.475 nan 8.230 nan 0.000 0.451 53 A N 0.972 123.575 122.820 -0.363 0.000 2.302 53 A HA 0.510 4.831 4.320 0.001 0.000 0.285 53 A C -0.892 176.540 177.584 -0.254 0.000 1.105 53 A CA -0.344 51.481 52.037 -0.353 0.000 0.816 53 A CB 0.139 18.681 19.000 -0.763 0.000 1.067 53 A HN 0.717 nan 8.150 nan 0.000 0.489 54 H N -0.260 118.763 119.070 -0.077 0.000 2.472 54 H HA 0.671 5.228 4.556 0.001 0.000 0.338 54 H C -0.053 175.385 175.328 0.184 0.000 1.133 54 H CA 0.401 56.491 56.048 0.070 0.000 1.216 54 H CB 1.788 31.575 29.762 0.043 0.000 1.497 54 H HN 0.830 nan 8.280 nan 0.000 0.500 55 A N 3.042 126.033 122.820 0.285 0.000 2.499 55 A HA 0.365 4.686 4.320 0.001 0.000 0.280 55 A C -1.309 176.345 177.584 0.116 0.000 1.135 55 A CA -0.639 51.507 52.037 0.182 0.000 0.744 55 A CB 0.435 19.481 19.000 0.076 0.000 1.213 55 A HN 0.543 nan 8.150 nan 0.000 0.434 56 L N 3.102 124.393 121.223 0.113 0.000 2.369 56 L HA 0.584 4.925 4.340 0.001 0.000 0.279 56 L C 0.586 177.519 176.870 0.105 0.000 1.108 56 L CA 0.262 55.166 54.840 0.106 0.000 0.852 56 L CB 0.774 42.893 42.059 0.099 0.000 1.169 56 L HN 0.778 nan 8.230 nan 0.000 0.452 57 A N 4.991 127.888 122.820 0.130 0.000 2.343 57 A HA 0.614 4.935 4.320 0.001 0.000 0.305 57 A C 0.631 178.374 177.584 0.266 0.000 1.308 57 A CA 0.022 52.168 52.037 0.181 0.000 0.949 57 A CB -0.498 18.644 19.000 0.236 0.000 1.148 57 A HN 0.900 nan 8.150 nan 0.000 0.545 58 G N 1.418 110.346 108.800 0.213 0.000 2.569 58 G HA2 0.355 4.316 3.960 0.001 0.000 0.249 58 G HA3 0.355 4.316 3.960 0.001 0.000 0.249 58 G C 0.143 175.197 174.900 0.256 0.000 1.216 58 G CA -0.616 44.618 45.100 0.224 0.000 0.845 58 G HN 0.804 nan 8.290 nan 0.000 0.568 59 K N 1.172 121.686 120.400 0.190 0.000 2.315 59 K HA 0.337 4.658 4.320 0.001 0.000 0.291 59 K C 1.182 177.775 176.600 -0.013 0.000 1.074 59 K CA -0.012 56.238 56.287 -0.061 0.000 0.936 59 K CB 0.458 32.868 32.500 -0.149 0.000 1.049 59 K HN 0.399 nan 8.250 nan 0.000 0.471 60 A N 3.780 126.601 122.820 0.002 0.000 2.167 60 A HA 0.206 4.527 4.320 0.001 0.000 0.214 60 A C 0.804 178.399 177.584 0.019 0.000 1.151 60 A CA 1.018 53.069 52.037 0.024 0.000 0.735 60 A CB -0.119 18.899 19.000 0.030 0.000 0.802 60 A HN 0.916 nan 8.150 nan 0.000 0.467 61 G N -2.144 106.671 108.800 0.026 0.000 2.341 61 G HA2 0.500 4.461 3.960 0.001 0.000 0.293 61 G HA3 0.500 4.461 3.960 0.001 0.000 0.293 61 G C -0.790 174.203 174.900 0.155 0.000 1.298 61 G CA 0.049 45.187 45.100 0.063 0.000 0.868 61 G HN 1.407 nan 8.290 nan 0.000 0.540 62 S N -0.553 115.249 115.700 0.171 0.000 2.537 62 S HA 0.775 5.246 4.470 0.001 0.000 0.271 62 S C -0.871 173.850 174.600 0.201 0.000 1.148 62 S CA 0.197 58.536 58.200 0.231 0.000 0.868 62 S CB 2.597 65.847 63.200 0.083 0.000 1.115 62 S HN 1.423 nan 8.310 nan 0.000 0.461 63 D N 0.893 121.456 120.400 0.271 0.000 2.636 63 D HA 0.399 5.040 4.640 0.001 0.000 0.236 63 D C 1.183 177.540 176.300 0.094 0.000 1.176 63 D CA -0.388 53.716 54.000 0.174 0.000 1.081 63 D CB -0.445 40.504 40.800 0.249 0.000 1.213 63 D HN 0.530 nan 8.370 nan 0.000 0.633 64 E N -0.362 119.879 120.200 0.068 0.000 2.048 64 E HA -0.251 4.100 4.350 0.001 0.000 0.202 64 E C 1.792 178.371 176.600 -0.035 0.000 1.021 64 E CA 2.593 59.001 56.400 0.013 0.000 0.825 64 E CB 0.059 29.766 29.700 0.011 0.000 0.756 64 E HN 0.528 nan 8.360 nan 0.000 0.454 65 R N -1.954 118.500 120.500 -0.075 0.000 2.469 65 R HA 0.266 4.607 4.340 0.001 0.000 0.250 65 R C -0.152 175.878 176.300 -0.449 0.000 0.909 65 R CA -0.218 55.706 56.100 -0.294 0.000 1.050 65 R CB 0.284 30.310 30.300 -0.457 0.000 1.256 65 R HN 0.008 nan 8.270 nan 0.000 0.550 66 F N 1.069 120.973 119.950 -0.077 0.000 2.523 66 F HA 0.441 4.969 4.527 0.001 0.000 0.329 66 F C -0.017 175.628 175.800 -0.259 0.000 1.061 66 F CA -1.106 56.763 58.000 -0.219 0.000 0.967 66 F CB 1.529 40.263 39.000 -0.443 0.000 1.218 66 F HN -0.227 nan 8.300 nan 0.000 0.480 67 D N 0.519 120.867 120.400 -0.087 0.000 2.256 67 D HA 0.300 4.941 4.640 0.001 0.000 0.246 67 D C -1.408 174.659 176.300 -0.388 0.000 1.042 67 D CA -0.238 53.648 54.000 -0.191 0.000 0.841 67 D CB 1.352 42.062 40.800 -0.150 0.000 1.223 67 D HN 0.254 nan 8.370 nan 0.000 0.470 68 Y N 1.503 121.665 120.300 -0.230 0.000 2.328 68 Y HA 0.438 4.989 4.550 0.001 0.000 0.336 68 Y C -0.317 175.388 175.900 -0.325 0.000 0.960 68 Y CA -0.822 57.200 58.100 -0.130 0.000 1.134 68 Y CB 0.981 39.424 38.460 -0.028 0.000 1.166 68 Y HN 0.175 nan 8.280 nan 0.000 0.464 69 F N 1.696 121.789 119.950 0.237 0.000 2.480 69 F HA 0.492 5.020 4.527 0.002 0.000 0.329 69 F C 0.012 175.916 175.800 0.174 0.000 1.091 69 F CA -0.993 57.113 58.000 0.177 0.000 0.972 69 F CB 1.829 40.917 39.000 0.147 0.000 1.150 69 F HN 0.393 nan 8.300 nan 0.000 0.467 70 E N 1.868 122.246 120.200 0.297 0.000 2.275 70 E HA 0.786 5.136 4.350 0.001 0.000 0.270 70 E C -1.739 174.934 176.600 0.121 0.000 0.882 70 E CA -0.727 55.777 56.400 0.174 0.000 0.758 70 E CB 1.842 31.599 29.700 0.095 0.000 1.195 70 E HN 0.764 nan 8.360 nan 0.000 0.419 71 A N 3.357 126.207 122.820 0.050 0.000 2.479 71 A HA 0.753 5.074 4.320 0.001 0.000 0.296 71 A C -1.886 175.616 177.584 -0.136 0.000 1.121 71 A CA -0.733 51.289 52.037 -0.025 0.000 0.743 71 A CB 1.547 20.527 19.000 -0.033 0.000 1.323 71 A HN 0.478 nan 8.150 nan 0.000 0.415 72 L N 0.806 121.934 121.223 -0.159 0.000 2.349 72 L HA 0.701 5.042 4.340 0.001 0.000 0.278 72 L C -1.756 174.932 176.870 -0.304 0.000 0.996 72 L CA -0.454 54.257 54.840 -0.214 0.000 0.825 72 L CB 1.380 43.362 42.059 -0.128 0.000 1.243 72 L HN 0.512 nan 8.230 nan 0.000 0.412 73 L N 4.907 125.859 121.223 -0.452 0.000 2.272 73 L HA 0.483 4.824 4.340 0.001 0.000 0.289 73 L C -0.004 176.671 176.870 -0.324 0.000 1.032 73 L CA -0.203 54.226 54.840 -0.685 0.000 0.810 73 L CB 1.306 42.747 42.059 -1.030 0.000 1.205 73 L HN 0.483 nan 8.230 nan 0.000 0.422 74 E N 2.787 122.947 120.200 -0.068 0.000 2.052 74 E HA 0.220 4.571 4.350 0.001 0.000 0.283 74 E C -0.950 175.735 176.600 0.142 0.000 1.071 74 E CA -0.052 56.382 56.400 0.056 0.000 0.851 74 E CB 0.906 30.670 29.700 0.108 0.000 1.066 74 E HN 0.477 nan 8.360 nan 0.000 0.396 75 C N 2.721 122.042 119.300 0.034 0.000 2.492 75 C HA 0.146 4.607 4.460 0.001 0.000 0.284 75 C C 1.846 176.834 174.990 -0.003 0.000 1.082 75 C CA -0.734 58.310 59.018 0.043 0.000 1.555 75 C CB -0.670 27.069 27.740 -0.001 0.000 1.798 75 C HN 0.722 nan 8.230 nan 0.000 0.413 76 S N 1.227 116.934 115.700 0.012 0.000 2.423 76 S HA -0.181 4.290 4.470 0.001 0.000 0.231 76 S C 1.658 176.243 174.600 -0.025 0.000 1.014 76 S CA 1.958 60.154 58.200 -0.007 0.000 0.965 76 S CB -0.678 62.524 63.200 0.004 0.000 0.785 76 S HN 0.836 nan 8.310 nan 0.000 0.495 77 T N -1.035 113.508 114.554 -0.018 0.000 3.085 77 T HA 0.204 4.555 4.350 0.001 0.000 0.263 77 T C 0.754 175.379 174.700 -0.125 0.000 1.127 77 T CA 0.623 62.705 62.100 -0.031 0.000 1.103 77 T CB -0.711 68.169 68.868 0.020 0.000 0.921 77 T HN 0.554 nan 8.240 nan 0.000 0.510 78 K N -0.001 120.304 120.400 -0.158 0.000 3.500 78 K HA -0.155 4.166 4.320 0.001 0.000 0.313 78 K C -0.362 176.037 176.600 -0.335 0.000 1.338 78 K CA 0.884 56.978 56.287 -0.322 0.000 0.963 78 K CB -1.101 31.045 32.500 -0.589 0.000 1.267 78 K HN 0.572 nan 8.250 nan 0.000 0.448 79 R N 0.277 120.711 120.500 -0.110 0.000 2.628 79 R HA 0.693 5.034 4.340 0.001 0.000 0.288 79 R C -1.137 175.233 176.300 0.116 0.000 0.980 79 R CA -0.900 55.226 56.100 0.043 0.000 0.891 79 R CB 2.718 33.109 30.300 0.151 0.000 1.188 79 R HN -0.033 nan 8.270 nan 0.000 0.450 80 V N 2.275 122.295 119.914 0.176 0.000 2.969 80 V HA 0.474 4.595 4.120 0.001 0.000 0.304 80 V C -1.647 174.604 176.094 0.262 0.000 1.192 80 V CA -0.785 61.644 62.300 0.216 0.000 0.962 80 V CB 2.449 34.398 31.823 0.210 0.000 1.045 80 V HN 0.849 nan 8.190 nan 0.000 0.428 81 K N 5.460 125.990 120.400 0.216 0.000 2.316 81 K HA 0.836 5.157 4.320 0.001 0.000 0.251 81 K C -1.620 175.101 176.600 0.202 0.000 0.934 81 K CA -0.646 55.704 56.287 0.104 0.000 0.802 81 K CB 2.150 34.638 32.500 -0.020 0.000 1.171 81 K HN 0.825 nan 8.250 nan 0.000 0.426 82 Y N -1.584 118.704 120.300 -0.019 0.000 2.609 82 Y HA 0.698 5.249 4.550 0.001 0.000 0.336 82 Y C -1.759 174.049 175.900 -0.153 0.000 1.129 82 Y CA -1.401 56.647 58.100 -0.087 0.000 1.040 82 Y CB 1.480 39.837 38.460 -0.171 0.000 1.310 82 Y HN 0.391 nan 8.280 nan 0.000 0.460 83 V N 2.685 122.563 119.914 -0.060 0.000 2.925 83 V HA 0.652 4.773 4.120 0.001 0.000 0.311 83 V C -1.730 174.320 176.094 -0.073 0.000 1.104 83 V CA -1.164 61.093 62.300 -0.073 0.000 0.954 83 V CB 1.917 33.734 31.823 -0.011 0.000 1.022 83 V HN 0.703 nan 8.190 nan 0.000 0.427 84 F N 5.485 125.540 119.950 0.175 0.000 2.399 84 F HA 0.570 5.098 4.527 0.001 0.000 0.334 84 F C 0.128 176.016 175.800 0.148 0.000 1.097 84 F CA -0.500 57.600 58.000 0.167 0.000 1.076 84 F CB 1.525 40.651 39.000 0.210 0.000 1.162 84 F HN 0.287 nan 8.300 nan 0.000 0.495 85 L N 5.327 126.674 121.223 0.206 0.000 2.318 85 L HA 0.527 4.867 4.340 0.001 0.000 0.277 85 L C -1.455 175.398 176.870 -0.029 0.000 1.008 85 L CA -0.503 54.294 54.840 -0.071 0.000 0.846 85 L CB 0.681 42.656 42.059 -0.140 0.000 1.220 85 L HN 0.562 nan 8.230 nan 0.000 0.423 86 L N 4.347 125.545 121.223 -0.041 0.000 2.307 86 L HA 0.552 4.893 4.340 0.001 0.000 0.284 86 L C -0.207 176.613 176.870 -0.083 0.000 1.023 86 L CA -0.439 54.366 54.840 -0.058 0.000 0.810 86 L CB 1.852 43.908 42.059 -0.004 0.000 1.231 86 L HN 0.480 nan 8.230 nan 0.000 0.423 87 T N 1.341 115.842 114.554 -0.087 0.000 2.792 87 T HA 0.526 4.877 4.350 0.001 0.000 0.280 87 T C 0.421 175.098 174.700 -0.039 0.000 0.990 87 T CA -0.577 61.488 62.100 -0.058 0.000 0.960 87 T CB 1.809 70.652 68.868 -0.042 0.000 0.939 87 T HN 0.731 nan 8.240 nan 0.000 0.439 88 G N 2.436 111.220 108.800 -0.027 0.000 2.547 88 G HA2 0.426 4.387 3.960 0.001 0.000 0.291 88 G HA3 0.426 4.387 3.960 0.001 0.000 0.291 88 G C -1.653 173.248 174.900 0.002 0.000 1.211 88 G CA -1.618 43.474 45.100 -0.013 0.000 0.950 88 G HN 0.387 nan 8.290 nan 0.000 0.504 89 P HA -0.116 nan 4.420 nan 0.000 0.216 89 P C 1.415 178.721 177.300 0.010 0.000 1.150 89 P CA 1.387 64.496 63.100 0.015 0.000 0.843 89 P CB 0.144 31.852 31.700 0.014 0.000 0.787 90 Q N -1.728 118.074 119.800 0.003 0.000 2.222 90 Q HA 0.338 4.679 4.340 0.001 0.000 0.206 90 Q C 0.990 176.991 176.000 0.002 0.000 0.877 90 Q CA 0.474 56.278 55.803 0.002 0.000 0.958 90 Q CB -0.383 28.355 28.738 -0.001 0.000 1.075 90 Q HN 0.154 nan 8.270 nan 0.000 0.483 91 G N 1.720 110.520 108.800 0.001 0.000 2.195 91 G HA2 -0.303 3.658 3.960 0.001 0.000 0.246 91 G HA3 -0.303 3.658 3.960 0.001 0.000 0.246 91 G C 0.035 174.931 174.900 -0.007 0.000 0.984 91 G CA 0.226 45.325 45.100 -0.001 0.000 0.633 91 G HN 0.586 nan 8.290 nan 0.000 0.525 92 E N 1.076 121.270 120.200 -0.010 0.000 2.376 92 E HA 0.559 4.910 4.350 0.001 0.000 0.266 92 E C 0.116 176.701 176.600 -0.025 0.000 1.009 92 E CA 0.389 56.781 56.400 -0.013 0.000 0.902 92 E CB 1.288 30.980 29.700 -0.014 0.000 0.972 92 E HN 1.247 nan 8.360 nan 0.000 0.439 93 A N 3.067 125.869 122.820 -0.030 0.000 2.356 93 A HA 0.702 5.023 4.320 0.001 0.000 0.323 93 A C -0.939 176.607 177.584 -0.063 0.000 1.119 93 A CA -0.703 51.291 52.037 -0.071 0.000 0.790 93 A CB 2.099 21.035 19.000 -0.106 0.000 1.273 93 A HN 0.613 nan 8.150 nan 0.000 0.452 94 V N 1.387 121.240 119.914 -0.101 0.000 3.077 94 V HA 0.578 4.699 4.120 0.001 0.000 0.299 94 V C -2.107 173.972 176.094 -0.026 0.000 1.276 94 V CA -0.649 61.658 62.300 0.012 0.000 0.993 94 V CB 1.895 33.794 31.823 0.127 0.000 1.076 94 V HN 0.838 nan 8.190 nan 0.000 0.434 95 Y N 5.038 125.454 120.300 0.193 0.000 2.310 95 Y HA 0.547 5.098 4.550 0.001 0.000 0.326 95 Y C -0.211 175.857 175.900 0.279 0.000 1.151 95 Y CA -0.397 57.824 58.100 0.201 0.000 1.195 95 Y CB 1.554 40.077 38.460 0.105 0.000 1.210 95 Y HN 0.631 nan 8.280 nan 0.000 0.483 96 F N 2.796 122.886 119.950 0.234 0.000 2.427 96 F HA 0.755 5.283 4.527 0.001 0.000 0.348 96 F C 0.010 175.861 175.800 0.085 0.000 1.125 96 F CA -0.415 57.589 58.000 0.007 0.000 0.989 96 F CB 0.629 39.679 39.000 0.083 0.000 1.165 96 F HN 0.613 nan 8.300 nan 0.000 0.442 97 G N 3.696 112.297 108.800 -0.331 0.000 2.798 97 G HA2 0.146 4.107 3.960 0.001 0.000 0.286 97 G HA3 0.146 4.107 3.960 0.001 0.000 0.286 97 G C -0.010 174.147 174.900 -1.238 0.000 1.389 97 G CA -0.552 44.073 45.100 -0.791 0.000 0.894 97 G HN 0.706 nan 8.290 nan 0.000 0.488 98 E N -0.912 118.350 120.200 -1.563 0.000 2.171 98 E HA -0.183 4.168 4.350 0.001 0.000 0.197 98 E C 2.068 178.369 176.600 -0.498 0.000 0.997 98 E CA 2.031 57.766 56.400 -1.109 0.000 0.810 98 E CB -0.003 29.251 29.700 -0.744 0.000 0.738 98 E HN 0.441 nan 8.360 nan 0.000 0.467 99 T N -0.588 113.733 114.554 -0.387 0.000 2.904 99 T HA 0.186 4.537 4.350 0.001 0.000 0.267 99 T C 0.715 175.343 174.700 -0.120 0.000 1.059 99 T CA 0.749 62.730 62.100 -0.198 0.000 1.137 99 T CB 0.365 69.140 68.868 -0.155 0.000 0.879 99 T HN 0.493 nan 8.240 nan 0.000 0.467 100 G N 0.348 109.047 108.800 -0.168 0.000 2.288 100 G HA2 0.270 4.231 3.960 0.001 0.000 0.227 100 G HA3 0.270 4.231 3.960 0.001 0.000 0.227 100 G C -1.776 173.013 174.900 -0.184 0.000 1.339 100 G CA -1.120 43.922 45.100 -0.098 0.000 1.057 100 G HN 0.162 nan 8.290 nan 0.000 0.470 101 F N 0.818 120.876 119.950 0.180 0.000 2.458 101 F HA 0.885 5.412 4.527 0.001 0.000 0.330 101 F C 0.739 176.612 175.800 0.122 0.000 1.082 101 F CA -0.181 57.920 58.000 0.169 0.000 0.995 101 F CB 2.323 41.370 39.000 0.079 0.000 1.170 101 F HN 0.700 nan 8.300 nan 0.000 0.478 102 S N -0.006 115.889 115.700 0.325 0.000 2.565 102 S HA 0.604 5.075 4.470 0.001 0.000 0.274 102 S C 0.097 174.862 174.600 0.275 0.000 1.144 102 S CA -0.030 58.306 58.200 0.228 0.000 0.849 102 S CB 1.159 64.445 63.200 0.144 0.000 1.103 102 S HN 0.865 nan 8.310 nan 0.000 0.455 103 A N 1.908 124.852 122.820 0.207 0.000 2.066 103 A HA 0.257 4.578 4.320 0.001 0.000 0.218 103 A C 0.523 178.286 177.584 0.298 0.000 1.157 103 A CA 0.764 52.940 52.037 0.231 0.000 0.670 103 A CB -0.339 18.743 19.000 0.137 0.000 0.804 103 A HN 0.768 nan 8.150 nan 0.000 0.453 104 E N -0.709 119.588 120.200 0.161 0.000 2.197 104 E HA 0.339 4.690 4.350 0.001 0.000 0.281 104 E C 0.570 177.066 176.600 -0.172 0.000 0.995 104 E CA -0.566 55.837 56.400 0.004 0.000 0.808 104 E CB 1.418 31.109 29.700 -0.015 0.000 1.093 104 E HN 0.377 nan 8.360 nan 0.000 0.394 105 R N 2.155 122.290 120.500 -0.607 0.000 2.083 105 R HA -0.202 4.138 4.340 0.001 0.000 0.237 105 R C 2.086 178.182 176.300 -0.339 0.000 1.137 105 R CA 2.354 57.959 56.100 -0.826 0.000 0.951 105 R CB -0.137 29.566 30.300 -0.995 0.000 0.851 105 R HN 0.646 nan 8.270 nan 0.000 0.434 106 S N 0.655 116.211 115.700 -0.241 0.000 2.365 106 S HA -0.200 4.271 4.470 0.001 0.000 0.225 106 S C 1.738 176.267 174.600 -0.118 0.000 1.039 106 S CA 1.533 59.639 58.200 -0.155 0.000 1.033 106 S CB -0.364 62.767 63.200 -0.116 0.000 0.887 106 S HN 0.410 nan 8.310 nan 0.000 0.447 107 K N 1.589 121.938 120.400 -0.085 0.000 2.362 107 K HA 0.179 4.500 4.320 0.001 0.000 0.200 107 K C 2.294 178.866 176.600 -0.047 0.000 1.046 107 K CA 0.817 57.075 56.287 -0.049 0.000 0.952 107 K CB -0.394 32.100 32.500 -0.010 0.000 0.753 107 K HN 0.546 nan 8.250 nan 0.000 0.466 108 A N 1.382 124.169 122.820 -0.055 0.000 2.016 108 A HA 0.158 4.479 4.320 0.001 0.000 0.217 108 A C 1.148 178.632 177.584 -0.167 0.000 1.162 108 A CA 1.106 53.112 52.037 -0.051 0.000 0.662 108 A CB -0.467 18.559 19.000 0.045 0.000 0.812 108 A HN 0.402 nan 8.150 nan 0.000 0.450 109 G N -2.102 106.589 108.800 -0.182 0.000 2.693 109 G HA2 0.102 4.063 3.960 0.001 0.000 0.226 109 G HA3 0.102 4.063 3.960 0.001 0.000 0.226 109 G C -0.278 174.434 174.900 -0.314 0.000 1.354 109 G CA 0.067 45.020 45.100 -0.243 0.000 0.873 109 G HN 1.685 nan 8.290 nan 0.000 0.562 110 V N -0.351 119.328 119.914 -0.393 0.000 2.891 110 V HA 0.685 4.806 4.120 0.001 0.000 0.304 110 V C -0.362 175.399 176.094 -0.555 0.000 1.171 110 V CA -1.034 61.006 62.300 -0.435 0.000 0.943 110 V CB 1.457 33.117 31.823 -0.271 0.000 1.037 110 V HN 1.058 nan 8.190 nan 0.000 0.427 111 F N 3.937 123.526 119.950 -0.601 0.000 2.406 111 F HA 0.579 5.107 4.527 0.001 0.000 0.327 111 F C 0.773 176.180 175.800 -0.654 0.000 1.153 111 F CA 0.236 57.834 58.000 -0.671 0.000 1.218 111 F CB 0.961 39.391 39.000 -0.952 0.000 1.215 111 F HN 0.429 nan 8.300 nan 0.000 0.570 112 Q N 1.443 121.180 119.800 -0.106 0.000 2.289 112 Q HA 0.223 4.563 4.340 0.001 0.000 0.270 112 Q C -1.866 174.241 176.000 0.177 0.000 1.038 112 Q CA -0.870 54.943 55.803 0.016 0.000 0.812 112 Q CB 2.762 31.482 28.738 -0.030 0.000 1.300 112 Q HN 0.610 nan 8.270 nan 0.000 0.427 113 Y N 1.434 121.851 120.300 0.194 0.000 2.721 113 Y HA 0.374 4.925 4.550 0.001 0.000 0.328 113 Y C 0.878 176.862 175.900 0.140 0.000 1.003 113 Y CA -0.146 58.066 58.100 0.185 0.000 1.275 113 Y CB 0.494 39.071 38.460 0.195 0.000 1.097 113 Y HN 0.950 nan 8.280 nan 0.000 0.514 114 A N 4.824 127.633 122.820 -0.019 0.000 1.894 114 A HA -0.248 4.073 4.320 0.001 0.000 0.220 114 A C -0.238 177.486 177.584 0.233 0.000 1.237 114 A CA 2.242 54.330 52.037 0.084 0.000 0.660 114 A CB -0.645 18.379 19.000 0.040 0.000 0.835 114 A HN 0.726 nan 8.150 nan 0.000 0.461 115 Y N -2.806 117.527 120.300 0.055 0.000 2.521 115 Y HA 0.529 5.080 4.550 0.001 0.000 0.332 115 Y C -1.221 174.759 175.900 0.133 0.000 1.121 115 Y CA -1.032 57.099 58.100 0.052 0.000 1.037 115 Y CB 1.255 39.663 38.460 -0.087 0.000 1.330 115 Y HN 0.142 nan 8.280 nan 0.000 0.452 116 I N 6.156 126.644 120.570 -0.136 0.000 2.307 116 I HA 0.238 4.409 4.170 0.001 0.000 0.287 116 I C -0.756 175.392 176.117 0.052 0.000 1.054 116 I CA -0.375 60.977 61.300 0.088 0.000 1.218 116 I CB 0.296 38.281 38.000 -0.025 0.000 1.398 116 I HN 0.614 nan 8.210 nan 0.000 0.475 117 H N 4.612 123.884 119.070 0.338 0.000 2.525 117 H HA 0.214 4.771 4.556 0.001 0.000 0.339 117 H C 1.303 176.742 175.328 0.184 0.000 1.109 117 H CA -0.497 55.731 56.048 0.300 0.000 1.352 117 H CB 1.070 30.977 29.762 0.242 0.000 1.461 117 H HN 0.474 nan 8.280 nan 0.000 0.533 118 R N 0.776 121.432 120.500 0.259 0.000 2.120 118 R HA -0.130 4.211 4.340 0.001 0.000 0.234 118 R C 1.405 177.802 176.300 0.162 0.000 1.123 118 R CA 1.645 57.847 56.100 0.170 0.000 0.975 118 R CB -0.309 30.070 30.300 0.131 0.000 0.866 118 R HN 0.569 nan 8.270 nan 0.000 0.446 119 S N 0.400 116.205 115.700 0.174 0.000 2.507 119 S HA -0.041 4.430 4.470 0.001 0.000 0.235 119 S C 1.052 175.724 174.600 0.120 0.000 0.988 119 S CA 0.774 59.048 58.200 0.123 0.000 0.944 119 S CB 0.071 63.324 63.200 0.089 0.000 0.762 119 S HN 0.549 nan 8.310 nan 0.000 0.526 120 E N 0.649 120.950 120.200 0.168 0.000 2.501 120 E HA 0.234 4.585 4.350 0.001 0.000 0.200 120 E C -0.876 175.828 176.600 0.174 0.000 1.016 120 E CA -0.212 56.282 56.400 0.156 0.000 0.921 120 E CB 0.963 30.783 29.700 0.201 0.000 1.034 120 E HN 0.285 nan 8.360 nan 0.000 0.468 121 V N 2.272 122.290 119.914 0.173 0.000 2.455 121 V HA 0.050 4.171 4.120 0.001 0.000 0.273 121 V C 0.096 176.330 176.094 0.234 0.000 1.045 121 V CA -0.171 62.241 62.300 0.187 0.000 0.976 121 V CB 0.141 32.050 31.823 0.143 0.000 0.993 121 V HN 0.254 nan 8.190 nan 0.000 0.475 122 F N 4.655 124.640 119.950 0.058 0.000 2.571 122 F HA 0.094 4.621 4.527 0.001 0.000 0.390 122 F C 0.565 176.373 175.800 0.013 0.000 1.043 122 F CA 0.172 58.183 58.000 0.019 0.000 1.164 122 F CB 0.380 39.361 39.000 -0.033 0.000 1.049 122 F HN 0.475 nan 8.300 nan 0.000 0.552 123 T N 3.852 118.670 114.554 0.440 0.000 2.841 123 T HA 0.376 4.727 4.350 0.001 0.000 0.285 123 T C -0.264 174.519 174.700 0.137 0.000 0.991 123 T CA -0.687 61.518 62.100 0.175 0.000 0.966 123 T CB 1.624 70.572 68.868 0.134 0.000 0.962 123 T HN 0.659 nan 8.240 nan 0.000 0.438 124 T N 0.670 115.212 114.554 -0.020 0.000 2.916 124 T HA 0.704 5.055 4.350 0.001 0.000 0.292 124 T C -3.059 171.582 174.700 -0.100 0.000 1.055 124 T CA -2.582 59.480 62.100 -0.062 0.000 1.009 124 T CB 1.098 69.854 68.868 -0.186 0.000 1.118 124 T HN 0.139 nan 8.240 nan 0.000 0.497 125 P HA 0.169 nan 4.420 nan 0.000 0.264 125 P C 0.891 178.016 177.300 -0.292 0.000 1.193 125 P CA -0.112 62.862 63.100 -0.211 0.000 0.763 125 P CB 0.527 32.002 31.700 -0.375 0.000 0.810 126 E N 3.071 123.206 120.200 -0.107 0.000 2.058 126 E HA -0.185 4.166 4.350 0.001 0.000 0.194 126 E C 1.922 178.488 176.600 -0.057 0.000 0.997 126 E CA 1.554 57.919 56.400 -0.058 0.000 0.801 126 E CB -0.572 29.148 29.700 0.034 0.000 0.746 126 E HN 0.718 nan 8.360 nan 0.000 0.450 127 W N 0.991 122.291 121.300 -0.001 0.000 2.342 127 W HA -0.019 4.642 4.660 0.002 0.000 0.297 127 W C 1.839 178.363 176.519 0.009 0.000 1.213 127 W CA 1.086 58.429 57.345 -0.003 0.000 1.251 127 W CB -0.994 28.460 29.460 -0.009 0.000 1.136 127 W HN -0.011 nan 8.180 nan 0.000 0.526 128 A N 1.588 123.822 122.820 -0.977 0.000 2.121 128 A HA -0.139 4.182 4.320 0.001 0.000 0.218 128 A C 2.080 179.466 177.584 -0.330 0.000 1.154 128 A CA 1.505 53.030 52.037 -0.854 0.000 0.679 128 A CB -0.659 17.684 19.000 -1.095 0.000 0.795 128 A HN 0.384 nan 8.150 nan 0.000 0.458 129 K N -0.001 120.253 120.400 -0.243 0.000 2.283 129 K HA -0.104 4.217 4.320 0.001 0.000 0.202 129 K C 0.555 177.103 176.600 -0.087 0.000 1.048 129 K CA 1.366 57.563 56.287 -0.150 0.000 0.948 129 K CB 0.038 32.464 32.500 -0.123 0.000 0.742 129 K HN 0.841 nan 8.250 nan 0.000 0.458 130 E N -0.275 119.909 120.200 -0.026 0.000 3.428 130 E HA 0.293 4.644 4.350 0.001 0.000 0.191 130 E C -0.700 175.970 176.600 0.117 0.000 0.980 130 E CA -0.429 55.988 56.400 0.029 0.000 1.305 130 E CB 0.810 30.558 29.700 0.080 0.000 1.105 130 E HN 0.026 nan 8.360 nan 0.000 0.455 131 A N 0.562 123.426 122.820 0.073 0.000 2.264 131 A HA 0.631 4.952 4.320 0.001 0.000 0.304 131 A C -0.240 177.357 177.584 0.021 0.000 1.100 131 A CA -0.556 51.565 52.037 0.141 0.000 0.839 131 A CB 1.401 20.526 19.000 0.210 0.000 1.121 131 A HN 0.147 nan 8.150 nan 0.000 0.496 132 V N 1.994 121.936 119.914 0.047 0.000 2.447 132 V HA 0.299 4.420 4.120 0.001 0.000 0.292 132 V C -0.608 175.473 176.094 -0.022 0.000 1.021 132 V CA 0.004 62.287 62.300 -0.027 0.000 0.850 132 V CB 1.014 32.847 31.823 0.017 0.000 1.005 132 V HN 0.706 nan 8.190 nan 0.000 0.426 133 I N 4.540 125.019 120.570 -0.151 0.000 2.428 133 I HA 0.434 4.604 4.170 0.001 0.000 0.296 133 I C -0.890 175.212 176.117 -0.024 0.000 0.985 133 I CA -0.718 60.479 61.300 -0.171 0.000 1.260 133 I CB 1.388 39.029 38.000 -0.599 0.000 1.389 133 I HN 0.570 nan 8.210 nan 0.000 0.484 134 Y N 5.182 125.427 120.300 -0.092 0.000 2.328 134 Y HA 0.293 4.843 4.550 0.001 0.000 0.336 134 Y C -0.112 175.760 175.900 -0.047 0.000 0.960 134 Y CA -0.565 57.511 58.100 -0.039 0.000 1.134 134 Y CB 1.317 39.748 38.460 -0.049 0.000 1.166 134 Y HN 0.503 nan 8.280 nan 0.000 0.464 135 Q N 6.721 126.425 119.800 -0.159 0.000 2.314 135 Q HA 0.432 4.773 4.340 0.001 0.000 0.257 135 Q C -1.360 174.503 176.000 -0.228 0.000 0.975 135 Q CA -0.267 55.517 55.803 -0.033 0.000 0.933 135 Q CB 0.562 29.497 28.738 0.328 0.000 1.195 135 Q HN 0.764 nan 8.270 nan 0.000 0.426 136 I N 4.752 125.065 120.570 -0.428 0.000 2.354 136 I HA 0.220 4.390 4.170 0.001 0.000 0.292 136 I C -0.705 175.235 176.117 -0.295 0.000 0.989 136 I CA -0.696 60.309 61.300 -0.492 0.000 1.188 136 I CB 0.973 38.414 38.000 -0.931 0.000 1.342 136 I HN 0.665 nan 8.210 nan 0.000 0.457 137 F N 9.807 129.546 119.950 -0.351 0.000 2.351 137 F HA 0.352 4.880 4.527 0.001 0.000 0.362 137 F C -1.318 174.363 175.800 -0.198 0.000 1.131 137 F CA -1.961 55.916 58.000 -0.206 0.000 1.187 137 F CB 0.828 39.822 39.000 -0.010 0.000 1.434 137 F HN 0.360 nan 8.300 nan 0.000 0.553 138 P HA -0.300 nan 4.420 nan 0.000 0.217 138 P C 1.323 178.604 177.300 -0.032 0.000 1.158 138 P CA 1.518 64.453 63.100 -0.275 0.000 0.887 138 P CB 0.249 31.491 31.700 -0.763 0.000 0.792 139 E N -0.351 119.815 120.200 -0.057 0.000 2.209 139 E HA -0.172 4.179 4.350 0.001 0.000 0.196 139 E C 1.402 178.217 176.600 0.359 0.000 0.993 139 E CA 1.070 57.662 56.400 0.320 0.000 0.819 139 E CB -0.062 29.767 29.700 0.215 0.000 0.745 139 E HN 0.136 nan 8.360 nan 0.000 0.477 140 R N -1.751 118.901 120.500 0.253 0.000 2.565 140 R HA 0.192 4.533 4.340 0.001 0.000 0.347 140 R C 1.195 177.611 176.300 0.193 0.000 1.010 140 R CA -0.209 55.998 56.100 0.177 0.000 1.126 140 R CB -0.180 30.225 30.300 0.175 0.000 1.331 140 R HN 0.086 nan 8.270 nan 0.000 0.552 141 F N 0.045 120.067 119.950 0.120 0.000 2.164 141 F HA 0.409 4.937 4.527 0.001 0.000 0.287 141 F C 0.220 176.410 175.800 0.650 0.000 1.086 141 F CA 0.579 58.684 58.000 0.176 0.000 1.249 141 F CB 0.457 39.486 39.000 0.049 0.000 1.059 141 F HN -0.052 nan 8.300 nan 0.000 0.490 142 A N 0.537 123.621 122.820 0.441 0.000 2.513 142 A HA 0.371 4.691 4.320 0.001 0.000 0.296 142 A C -1.698 175.834 177.584 -0.088 0.000 1.052 142 A CA -0.651 51.377 52.037 -0.015 0.000 0.714 142 A CB 0.453 19.314 19.000 -0.232 0.000 1.279 142 A HN 0.204 nan 8.150 nan 0.000 0.397 143 N N 1.896 120.334 118.700 -0.437 0.000 2.678 143 N HA 0.372 5.113 4.740 0.001 0.000 0.231 143 N C 1.025 176.407 175.510 -0.212 0.000 1.038 143 N CA 0.404 53.334 53.050 -0.200 0.000 0.932 143 N CB 1.032 39.407 38.487 -0.186 0.000 1.176 143 N HN 0.738 nan 8.380 nan 0.000 0.511 144 G N 1.153 109.880 108.800 -0.122 0.000 2.683 144 G HA2 -0.082 3.879 3.960 0.001 0.000 0.213 144 G HA3 -0.082 3.879 3.960 0.001 0.000 0.213 144 G C 0.046 174.899 174.900 -0.079 0.000 1.142 144 G CA 0.056 45.080 45.100 -0.127 0.000 0.793 144 G HN 0.531 nan 8.290 nan 0.000 0.534 145 D N -0.602 119.775 120.400 -0.039 0.000 2.420 145 D HA 0.366 5.007 4.640 0.001 0.000 0.255 145 D C -1.920 174.370 176.300 -0.016 0.000 1.185 145 D CA -2.148 51.838 54.000 -0.023 0.000 0.904 145 D CB 1.981 42.781 40.800 -0.000 0.000 1.102 145 D HN -0.091 nan 8.370 nan 0.000 0.534 146 P HA -0.097 nan 4.420 nan 0.000 0.222 146 P C 1.282 178.570 177.300 -0.020 0.000 1.147 146 P CA 0.773 63.864 63.100 -0.016 0.000 0.790 146 P CB 0.207 31.896 31.700 -0.019 0.000 0.780 147 S N -0.068 115.619 115.700 -0.022 0.000 2.507 147 S HA -0.111 4.360 4.470 0.001 0.000 0.235 147 S C 1.403 175.982 174.600 -0.035 0.000 0.988 147 S CA 1.042 59.227 58.200 -0.025 0.000 0.944 147 S CB -1.276 61.913 63.200 -0.020 0.000 0.762 147 S HN 0.213 nan 8.310 nan 0.000 0.526 148 N N 0.344 119.022 118.700 -0.036 0.000 2.203 148 N HA 0.159 4.900 4.740 0.001 0.000 0.207 148 N C -1.177 174.270 175.510 -0.106 0.000 1.130 148 N CA -0.397 52.618 53.050 -0.057 0.000 0.861 148 N CB -0.406 38.063 38.487 -0.030 0.000 1.005 148 N HN 0.106 nan 8.380 nan 0.000 0.507 149 D N 2.059 122.401 120.400 -0.097 0.000 2.443 149 D HA 0.173 4.813 4.640 0.001 0.000 0.239 149 D C -2.065 174.074 176.300 -0.268 0.000 1.136 149 D CA -0.804 53.106 54.000 -0.151 0.000 0.879 149 D CB 0.453 41.209 40.800 -0.074 0.000 1.195 149 D HN 0.205 nan 8.370 nan 0.000 0.443 150 P HA 0.168 nan 4.420 nan 0.000 0.270 150 P C -2.508 174.545 177.300 -0.412 0.000 1.223 150 P CA -0.947 61.749 63.100 -0.674 0.000 0.785 150 P CB -0.031 30.656 31.700 -1.689 0.000 0.923 151 P HA 0.093 nan 4.420 nan 0.000 0.264 151 P C 0.691 177.957 177.300 -0.057 0.000 1.193 151 P CA 1.196 64.227 63.100 -0.115 0.000 0.763 151 P CB 0.065 31.728 31.700 -0.061 0.000 0.810 152 G N 1.583 110.371 108.800 -0.019 0.000 2.160 152 G HA2 -0.218 3.742 3.960 0.001 0.000 0.244 152 G HA3 -0.218 3.742 3.960 0.001 0.000 0.244 152 G C 0.243 175.167 174.900 0.040 0.000 1.022 152 G CA -0.209 44.909 45.100 0.030 0.000 0.741 152 G HN 0.559 nan 8.290 nan 0.000 0.508 153 T N 1.277 115.828 114.554 -0.005 0.000 2.867 153 T HA 0.361 4.712 4.350 0.001 0.000 0.297 153 T C 0.783 175.491 174.700 0.014 0.000 0.989 153 T CA 0.485 62.591 62.100 0.010 0.000 1.159 153 T CB 0.938 69.808 68.868 0.003 0.000 0.928 153 T HN 0.511 nan 8.240 nan 0.000 0.538 154 E N 2.161 122.318 120.200 -0.071 0.000 2.342 154 E HA 0.166 4.516 4.350 0.001 0.000 0.257 154 E C 0.188 176.877 176.600 0.149 0.000 1.150 154 E CA -0.990 55.392 56.400 -0.029 0.000 0.926 154 E CB 0.501 30.106 29.700 -0.159 0.000 1.074 154 E HN 0.473 nan 8.360 nan 0.000 0.449 155 Q N 0.861 120.786 119.800 0.208 0.000 2.361 155 Q HA -0.035 4.305 4.340 0.001 0.000 0.276 155 Q C -0.590 175.669 176.000 0.433 0.000 1.022 155 Q CA 0.346 56.318 55.803 0.282 0.000 0.898 155 Q CB 0.485 29.339 28.738 0.193 0.000 1.246 155 Q HN 0.540 nan 8.270 nan 0.000 0.410 156 W N 2.481 123.914 121.300 0.221 0.000 2.318 156 W HA 0.498 5.159 4.660 0.001 0.000 0.362 156 W C -1.230 175.328 176.519 0.065 0.000 0.978 156 W CA -0.508 56.933 57.345 0.159 0.000 1.509 156 W CB 0.243 29.788 29.460 0.142 0.000 1.437 156 W HN 0.554 nan 8.180 nan 0.000 0.361 157 A N 4.646 127.522 122.820 0.093 0.000 2.539 157 A HA 0.305 4.626 4.320 0.001 0.000 0.296 157 A C 0.813 178.366 177.584 -0.053 0.000 1.073 157 A CA -0.662 51.423 52.037 0.080 0.000 0.700 157 A CB 1.883 20.936 19.000 0.089 0.000 1.296 157 A HN 0.578 nan 8.150 nan 0.000 0.405 158 K N 0.231 120.618 120.400 -0.021 0.000 2.097 158 K HA -0.195 4.126 4.320 0.001 0.000 0.206 158 K C 0.646 177.203 176.600 -0.072 0.000 1.049 158 K CA 2.297 58.543 56.287 -0.068 0.000 0.933 158 K CB -0.148 32.328 32.500 -0.040 0.000 0.717 158 K HN 0.829 nan 8.250 nan 0.000 0.442 159 D N -0.079 120.300 120.400 -0.036 0.000 2.332 159 D HA 0.062 4.703 4.640 0.001 0.000 0.244 159 D C -0.151 176.136 176.300 -0.023 0.000 1.136 159 D CA -0.075 53.909 54.000 -0.026 0.000 0.884 159 D CB 0.300 41.098 40.800 -0.004 0.000 0.906 159 D HN 0.219 nan 8.370 nan 0.000 0.520 160 A N 0.740 123.529 122.820 -0.052 0.000 2.304 160 A HA 0.637 4.958 4.320 0.001 0.000 0.301 160 A C 0.136 177.692 177.584 -0.047 0.000 1.132 160 A CA -0.853 51.167 52.037 -0.028 0.000 0.819 160 A CB 0.718 19.684 19.000 -0.057 0.000 1.094 160 A HN 0.082 nan 8.150 nan 0.000 0.492 161 R N 2.122 122.635 120.500 0.022 0.000 2.407 161 R HA 0.331 4.672 4.340 0.001 0.000 0.298 161 R C -2.993 173.354 176.300 0.078 0.000 1.166 161 R CA -1.757 54.352 56.100 0.015 0.000 1.006 161 R CB 0.621 30.924 30.300 0.005 0.000 1.145 161 R HN 0.489 nan 8.270 nan 0.000 0.538 162 P HA -0.007 nan 4.420 nan 0.000 0.263 162 P C -0.132 177.215 177.300 0.079 0.000 1.175 162 P CA 0.428 63.647 63.100 0.199 0.000 0.761 162 P CB 0.696 32.518 31.700 0.204 0.000 0.794 163 R N 1.501 122.043 120.500 0.071 0.000 2.828 163 R HA 0.284 4.625 4.340 0.001 0.000 0.264 163 R C 1.429 177.746 176.300 0.029 0.000 1.022 163 R CA -0.848 55.270 56.100 0.031 0.000 1.021 163 R CB 0.577 30.906 30.300 0.050 0.000 1.163 163 R HN 0.572 nan 8.270 nan 0.000 0.494 164 H N 1.383 120.472 119.070 0.031 0.000 2.496 164 H HA -0.154 4.403 4.556 0.001 0.000 0.296 164 H C 0.482 175.808 175.328 -0.003 0.000 1.107 164 H CA 1.898 57.961 56.048 0.025 0.000 1.263 164 H CB 0.262 30.028 29.762 0.006 0.000 1.369 164 H HN 0.588 nan 8.280 nan 0.000 0.541 165 D N -1.191 119.263 120.400 0.090 0.000 2.563 165 D HA 0.055 4.696 4.640 0.001 0.000 0.237 165 D C 0.225 176.500 176.300 -0.041 0.000 1.282 165 D CA -0.180 53.839 54.000 0.031 0.000 0.816 165 D CB -0.049 40.755 40.800 0.005 0.000 1.066 165 D HN -0.120 nan 8.370 nan 0.000 0.501 166 S N -0.034 115.618 115.700 -0.080 0.000 2.596 166 S HA 0.481 4.952 4.470 0.001 0.000 0.260 166 S C -0.347 174.017 174.600 -0.393 0.000 1.336 166 S CA 0.053 58.140 58.200 -0.189 0.000 0.993 166 S CB 0.526 63.651 63.200 -0.126 0.000 0.923 166 S HN 0.268 nan 8.310 nan 0.000 0.567 167 F N -0.261 119.461 119.950 -0.381 0.000 2.615 167 F HA 0.334 4.862 4.527 0.001 0.000 0.312 167 F C -0.726 174.748 175.800 -0.544 0.000 1.119 167 F CA -0.634 57.184 58.000 -0.303 0.000 0.979 167 F CB 1.558 40.434 39.000 -0.208 0.000 1.266 167 F HN 0.570 nan 8.300 nan 0.000 0.444 168 Y N 0.577 121.080 120.300 0.339 0.000 2.499 168 Y HA 0.313 4.864 4.550 0.001 0.000 0.253 168 Y C 1.360 177.531 175.900 0.452 0.000 1.105 168 Y CA 0.147 58.422 58.100 0.292 0.000 1.240 168 Y CB 1.379 39.844 38.460 0.009 0.000 1.289 168 Y HN 0.775 nan 8.280 nan 0.000 0.534 169 G N 0.477 109.538 108.800 0.436 0.000 2.132 169 G HA2 -0.220 3.741 3.960 0.001 0.000 0.234 169 G HA3 -0.220 3.741 3.960 0.001 0.000 0.234 169 G C 0.697 175.836 174.900 0.399 0.000 0.989 169 G CA -0.123 45.165 45.100 0.314 0.000 0.676 169 G HN 0.695 nan 8.290 nan 0.000 0.522 170 G N 0.316 109.464 108.800 0.579 0.000 2.353 170 G HA2 0.547 4.508 3.960 0.001 0.000 0.239 170 G HA3 0.547 4.508 3.960 0.001 0.000 0.239 170 G C 0.069 175.238 174.900 0.447 0.000 1.295 170 G CA 1.006 46.432 45.100 0.543 0.000 0.884 170 G HN 1.188 nan 8.290 nan 0.000 0.537 171 D N 0.080 120.679 120.400 0.332 0.000 2.677 171 D HA 0.160 4.801 4.640 0.001 0.000 0.298 171 D C 1.104 177.518 176.300 0.189 0.000 1.250 171 D CA -0.917 53.270 54.000 0.313 0.000 0.888 171 D CB 0.298 41.242 40.800 0.240 0.000 1.397 171 D HN 0.172 nan 8.370 nan 0.000 0.461 172 L N -0.888 120.421 121.223 0.142 0.000 2.093 172 L HA -0.065 4.276 4.340 0.001 0.000 0.208 172 L C 2.202 179.116 176.870 0.072 0.000 1.085 172 L CA 1.107 55.995 54.840 0.080 0.000 0.755 172 L CB -0.502 41.591 42.059 0.056 0.000 0.904 172 L HN 0.414 nan 8.230 nan 0.000 0.435 173 K N 0.961 121.398 120.400 0.062 0.000 2.097 173 K HA -0.110 4.211 4.320 0.001 0.000 0.206 173 K C 1.954 178.554 176.600 -0.000 0.000 1.049 173 K CA 1.508 57.806 56.287 0.018 0.000 0.933 173 K CB -0.731 31.771 32.500 0.003 0.000 0.717 173 K HN 0.213 nan 8.250 nan 0.000 0.442 174 G N -0.105 108.707 108.800 0.020 0.000 2.418 174 G HA2 -0.200 3.761 3.960 0.001 0.000 0.217 174 G HA3 -0.200 3.761 3.960 0.001 0.000 0.217 174 G C 1.518 176.455 174.900 0.062 0.000 1.158 174 G CA 1.093 46.176 45.100 -0.028 0.000 0.771 174 G HN 0.199 nan 8.290 nan 0.000 0.545 175 V N 1.273 121.319 119.914 0.221 0.000 2.332 175 V HA -0.189 3.932 4.120 0.001 0.000 0.248 175 V C 2.779 178.966 176.094 0.155 0.000 1.055 175 V CA 1.567 64.063 62.300 0.326 0.000 1.038 175 V CB -0.450 31.558 31.823 0.307 0.000 0.651 175 V HN 0.402 nan 8.190 nan 0.000 0.450 176 I N 0.302 120.907 120.570 0.060 0.000 2.127 176 I HA -0.250 3.921 4.170 0.001 0.000 0.241 176 I C 2.322 178.420 176.117 -0.031 0.000 1.075 176 I CA 1.806 63.106 61.300 0.000 0.000 1.334 176 I CB -0.610 37.374 38.000 -0.027 0.000 1.040 176 I HN 0.315 nan 8.210 nan 0.000 0.405 177 D N 0.609 120.965 120.400 -0.075 0.000 2.221 177 D HA -0.140 4.500 4.640 0.001 0.000 0.204 177 D C 1.927 178.117 176.300 -0.184 0.000 0.982 177 D CA 0.998 54.913 54.000 -0.142 0.000 0.857 177 D CB -0.223 40.451 40.800 -0.210 0.000 0.934 177 D HN 0.220 nan 8.370 nan 0.000 0.475 178 R N 0.205 120.606 120.500 -0.165 0.000 2.359 178 R HA 0.220 4.561 4.340 0.001 0.000 0.231 178 R C 2.058 178.408 176.300 0.083 0.000 0.913 178 R CA -0.183 55.806 56.100 -0.185 0.000 1.075 178 R CB -0.163 29.877 30.300 -0.433 0.000 1.087 178 R HN 0.285 nan 8.270 nan 0.000 0.515 179 L N 0.813 122.073 121.223 0.063 0.000 2.127 179 L HA -0.128 4.213 4.340 0.001 0.000 0.211 179 L C -0.694 176.220 176.870 0.073 0.000 1.089 179 L CA 1.558 56.441 54.840 0.073 0.000 0.757 179 L CB -1.221 40.851 42.059 0.021 0.000 0.899 179 L HN 0.048 nan 8.230 nan 0.000 0.434 180 P HA -0.235 nan 4.420 nan 0.000 0.215 180 P C 1.348 178.724 177.300 0.126 0.000 1.153 180 P CA 1.328 64.464 63.100 0.060 0.000 0.853 180 P CB -0.053 31.667 31.700 0.032 0.000 0.788 181 Y N 0.158 120.486 120.300 0.047 0.000 2.145 181 Y HA -0.204 4.347 4.550 0.001 0.000 0.286 181 Y C 1.953 177.958 175.900 0.175 0.000 1.145 181 Y CA 1.441 59.628 58.100 0.145 0.000 1.148 181 Y CB -0.958 37.611 38.460 0.181 0.000 0.981 181 Y HN -0.237 nan 8.280 nan 0.000 0.507 182 L N 0.941 122.299 121.223 0.225 0.000 2.083 182 L HA -0.214 4.127 4.340 0.001 0.000 0.209 182 L C 2.463 179.293 176.870 -0.068 0.000 1.083 182 L CA 2.136 56.970 54.840 -0.009 0.000 0.752 182 L CB -1.572 40.468 42.059 -0.033 0.000 0.899 182 L HN 0.457 nan 8.230 nan 0.000 0.433 183 E N -0.135 120.055 120.200 -0.017 0.000 2.072 183 E HA -0.249 4.101 4.350 0.001 0.000 0.191 183 E C 2.085 178.657 176.600 -0.046 0.000 0.985 183 E CA 1.137 57.519 56.400 -0.031 0.000 0.801 183 E CB 0.101 29.793 29.700 -0.014 0.000 0.750 183 E HN 0.485 nan 8.360 nan 0.000 0.452 184 E N 0.186 120.367 120.200 -0.032 0.000 2.110 184 E HA -0.205 4.146 4.350 0.001 0.000 0.193 184 E C 2.205 178.720 176.600 -0.141 0.000 0.988 184 E CA 0.812 57.191 56.400 -0.035 0.000 0.804 184 E CB -0.042 29.696 29.700 0.064 0.000 0.745 184 E HN 0.246 nan 8.360 nan 0.000 0.458 185 L N -0.084 121.018 121.223 -0.202 0.000 2.083 185 L HA -0.015 4.326 4.340 0.001 0.000 0.209 185 L C 1.519 178.285 176.870 -0.173 0.000 1.083 185 L CA 2.361 57.012 54.840 -0.315 0.000 0.752 185 L CB -0.191 41.720 42.059 -0.247 0.000 0.899 185 L HN 0.347 nan 8.230 nan 0.000 0.433 186 G N -1.336 107.405 108.800 -0.098 0.000 2.148 186 G HA2 -0.184 3.777 3.960 0.001 0.000 0.203 186 G HA3 -0.184 3.777 3.960 0.001 0.000 0.203 186 G C 0.292 175.209 174.900 0.028 0.000 0.993 186 G CA 0.184 45.267 45.100 -0.028 0.000 0.661 186 G HN 0.876 nan 8.290 nan 0.000 0.518 187 V N -0.271 119.641 119.914 -0.003 0.000 2.763 187 V HA 0.635 4.756 4.120 0.001 0.000 0.306 187 V C 1.400 177.510 176.094 0.026 0.000 1.059 187 V CA 1.316 63.635 62.300 0.032 0.000 1.138 187 V CB 1.094 32.916 31.823 -0.002 0.000 0.940 187 V HN 1.001 nan 8.190 nan 0.000 0.489 188 T N 0.209 114.800 114.554 0.062 0.000 3.040 188 T HA 0.675 5.025 4.350 0.001 0.000 0.250 188 T C 0.472 175.188 174.700 0.027 0.000 1.058 188 T CA 0.409 62.536 62.100 0.045 0.000 0.988 188 T CB 0.146 69.082 68.868 0.113 0.000 0.993 188 T HN 1.815 nan 8.240 nan 0.000 0.519 189 A N 0.820 123.669 122.820 0.048 0.000 2.589 189 A HA 0.701 5.022 4.320 0.001 0.000 0.296 189 A C -1.634 175.983 177.584 0.056 0.000 1.062 189 A CA -0.982 51.087 52.037 0.054 0.000 0.686 189 A CB 1.030 20.123 19.000 0.156 0.000 1.282 189 A HN 0.337 nan 8.150 nan 0.000 0.404 190 L N 1.710 122.967 121.223 0.056 0.000 2.329 190 L HA 0.554 4.895 4.340 0.001 0.000 0.279 190 L C -0.994 175.905 176.870 0.050 0.000 1.014 190 L CA -0.813 54.004 54.840 -0.039 0.000 0.814 190 L CB 1.762 43.708 42.059 -0.188 0.000 1.257 190 L HN 0.809 nan 8.230 nan 0.000 0.424 191 Y N 3.415 123.630 120.300 -0.141 0.000 2.328 191 Y HA 0.572 5.123 4.550 0.001 0.000 0.336 191 Y C -1.467 174.341 175.900 -0.154 0.000 0.960 191 Y CA -1.415 56.710 58.100 0.041 0.000 1.134 191 Y CB 0.936 39.535 38.460 0.231 0.000 1.166 191 Y HN 0.268 nan 8.280 nan 0.000 0.464 192 F N 3.784 123.527 119.950 -0.344 0.000 2.450 192 F HA 0.496 5.024 4.527 0.001 0.000 0.332 192 F C 0.877 176.295 175.800 -0.636 0.000 1.093 192 F CA -0.619 57.075 58.000 -0.510 0.000 1.003 192 F CB 1.783 40.590 39.000 -0.323 0.000 1.151 192 F HN 0.582 nan 8.300 nan 0.000 0.474 193 T N 0.107 114.408 114.554 -0.421 0.000 2.732 193 T HA 0.318 4.669 4.350 0.001 0.000 0.287 193 T C -2.667 171.831 174.700 -0.336 0.000 0.993 193 T CA -2.023 59.890 62.100 -0.311 0.000 0.966 193 T CB 0.282 69.014 68.868 -0.225 0.000 1.047 193 T HN 0.182 nan 8.240 nan 0.000 0.527 194 P HA 0.035 nan 4.420 nan 0.000 0.261 194 P C 0.423 177.478 177.300 -0.408 0.000 1.173 194 P CA 0.085 62.871 63.100 -0.524 0.000 0.760 194 P CB 0.053 31.369 31.700 -0.640 0.000 0.783 195 I N 0.211 120.472 120.570 -0.514 0.000 4.225 195 I HA 0.273 4.444 4.170 0.001 0.000 0.327 195 I C -0.227 175.914 176.117 0.040 0.000 1.422 195 I CA -0.275 60.887 61.300 -0.230 0.000 1.150 195 I CB -1.163 36.560 38.000 -0.462 0.000 1.192 195 I HN 0.049 nan 8.210 nan 0.000 0.440 196 F N 2.907 122.802 119.950 -0.092 0.000 2.410 196 F HA 0.580 5.107 4.527 0.001 0.000 0.334 196 F C 1.540 177.346 175.800 0.010 0.000 1.134 196 F CA -0.714 57.255 58.000 -0.052 0.000 1.227 196 F CB 0.907 39.851 39.000 -0.094 0.000 1.194 196 F HN 0.118 nan 8.300 nan 0.000 0.571 197 A N 2.750 125.720 122.820 0.249 0.000 2.583 197 A HA 0.233 4.553 4.320 0.001 0.000 0.249 197 A C 0.172 177.818 177.584 0.102 0.000 1.035 197 A CA 0.570 52.692 52.037 0.141 0.000 0.777 197 A CB -0.249 18.828 19.000 0.128 0.000 0.942 197 A HN 0.620 nan 8.150 nan 0.000 0.516 198 S N 3.193 118.932 115.700 0.065 0.000 2.537 198 S HA 0.699 5.170 4.470 0.001 0.000 0.270 198 S C -2.212 172.410 174.600 0.036 0.000 1.142 198 S CA -0.631 57.602 58.200 0.056 0.000 0.870 198 S CB 1.824 65.051 63.200 0.046 0.000 1.112 198 S HN 0.460 nan 8.310 nan 0.000 0.466 199 P HA 0.067 nan 4.420 nan 0.000 0.231 199 P C 0.630 177.974 177.300 0.074 0.000 1.168 199 P CA 0.335 63.471 63.100 0.060 0.000 0.779 199 P CB -0.057 31.688 31.700 0.076 0.000 0.844 200 S N -0.930 114.779 115.700 0.015 0.000 2.686 200 S HA 0.172 4.642 4.470 0.001 0.000 0.270 200 S C 1.199 175.844 174.600 0.075 0.000 1.194 200 S CA -0.443 57.734 58.200 -0.038 0.000 0.990 200 S CB -0.087 62.852 63.200 -0.435 0.000 1.029 200 S HN 0.155 nan 8.310 nan 0.000 0.560 201 H N -0.135 118.844 119.070 -0.151 0.000 2.482 201 H HA -0.005 4.552 4.556 0.001 0.000 0.286 201 H C 1.880 177.241 175.328 0.055 0.000 1.017 201 H CA 1.522 57.556 56.048 -0.022 0.000 1.322 201 H CB -0.043 29.641 29.762 -0.130 0.000 1.426 201 H HN 0.943 nan 8.280 nan 0.000 0.546 202 H N -0.475 118.804 119.070 0.348 0.000 2.497 202 H HA 0.133 4.690 4.556 0.001 0.000 0.282 202 H C 0.798 176.282 175.328 0.261 0.000 1.003 202 H CA 0.249 56.538 56.048 0.400 0.000 1.307 202 H CB 0.312 30.380 29.762 0.510 0.000 1.437 202 H HN -0.109 nan 8.280 nan 0.000 0.544 203 K N -1.114 119.361 120.400 0.124 0.000 3.446 203 K HA -0.245 4.076 4.320 0.001 0.000 0.312 203 K C -0.097 176.560 176.600 0.095 0.000 1.329 203 K CA 1.159 57.497 56.287 0.085 0.000 0.935 203 K CB -2.763 29.760 32.500 0.038 0.000 1.281 203 K HN 0.519 nan 8.250 nan 0.000 0.457 204 Y N 1.762 122.363 120.300 0.501 0.000 2.529 204 Y HA -0.023 4.528 4.550 0.001 0.000 0.290 204 Y C 0.790 176.842 175.900 0.252 0.000 1.177 204 Y CA 0.685 58.942 58.100 0.261 0.000 1.305 204 Y CB 0.287 38.802 38.460 0.090 0.000 1.047 204 Y HN 0.130 nan 8.280 nan 0.000 0.522 205 D N -0.454 120.178 120.400 0.386 0.000 2.460 205 D HA 0.093 4.734 4.640 0.001 0.000 0.268 205 D C -0.463 175.924 176.300 0.145 0.000 1.153 205 D CA -0.370 53.800 54.000 0.284 0.000 0.929 205 D CB 0.199 41.183 40.800 0.306 0.000 1.015 205 D HN -0.125 nan 8.370 nan 0.000 0.502 206 T N 0.843 115.420 114.554 0.038 0.000 2.867 206 T HA 0.346 4.697 4.350 0.001 0.000 0.297 206 T C 1.302 176.001 174.700 -0.001 0.000 0.989 206 T CA -0.055 61.965 62.100 -0.133 0.000 1.159 206 T CB 1.574 70.022 68.868 -0.700 0.000 0.928 206 T HN 0.503 nan 8.240 nan 0.000 0.538 207 A N 2.714 125.585 122.820 0.085 0.000 1.942 207 A HA 0.235 4.555 4.320 0.001 0.000 0.209 207 A C 0.888 178.668 177.584 0.328 0.000 1.214 207 A CA 0.238 52.412 52.037 0.227 0.000 0.686 207 A CB 0.301 19.401 19.000 0.167 0.000 0.871 207 A HN 0.684 nan 8.150 nan 0.000 0.460 208 D N -1.811 118.716 120.400 0.211 0.000 2.476 208 D HA 0.398 5.039 4.640 0.001 0.000 0.251 208 D C -0.461 175.941 176.300 0.172 0.000 1.291 208 D CA -0.571 53.591 54.000 0.270 0.000 0.939 208 D CB 0.491 41.399 40.800 0.181 0.000 1.221 208 D HN 0.177 nan 8.370 nan 0.000 0.567 209 Y N 1.975 122.448 120.300 0.290 0.000 2.497 209 Y HA 0.067 4.618 4.550 0.001 0.000 0.292 209 Y C 1.752 177.582 175.900 -0.117 0.000 1.137 209 Y CA 0.745 58.891 58.100 0.076 0.000 1.285 209 Y CB 0.191 38.827 38.460 0.294 0.000 0.991 209 Y HN 0.403 nan 8.280 nan 0.000 0.556 210 L N -0.503 120.747 121.223 0.045 0.000 2.728 210 L HA 0.436 4.777 4.340 0.001 0.000 0.235 210 L C 0.339 177.122 176.870 -0.145 0.000 1.197 210 L CA -0.306 54.324 54.840 -0.350 0.000 0.992 210 L CB -0.243 41.385 42.059 -0.719 0.000 1.263 210 L HN 0.029 nan 8.230 nan 0.000 0.484 211 A N 0.087 123.002 122.820 0.158 0.000 2.520 211 A HA 0.682 5.003 4.320 0.001 0.000 0.298 211 A C -0.897 176.897 177.584 0.351 0.000 1.051 211 A CA -0.515 51.671 52.037 0.247 0.000 0.690 211 A CB 1.241 20.318 19.000 0.128 0.000 1.281 211 A HN 0.018 nan 8.150 nan 0.000 0.402 212 I N 1.812 122.609 120.570 0.378 0.000 2.575 212 I HA 0.101 4.272 4.170 0.001 0.000 0.285 212 I C 0.683 176.943 176.117 0.238 0.000 1.085 212 I CA 0.139 61.630 61.300 0.318 0.000 1.403 212 I CB 0.747 38.909 38.000 0.270 0.000 1.409 212 I HN 0.643 nan 8.210 nan 0.000 0.557 213 D N 7.663 128.207 120.400 0.239 0.000 2.425 213 D HA 0.023 4.664 4.640 0.001 0.000 0.247 213 D C -1.723 174.607 176.300 0.052 0.000 1.147 213 D CA -1.230 52.834 54.000 0.108 0.000 0.879 213 D CB 1.529 42.338 40.800 0.015 0.000 1.179 213 D HN 0.230 nan 8.370 nan 0.000 0.456 214 P HA -0.216 nan 4.420 nan 0.000 0.217 214 P C 1.255 178.518 177.300 -0.063 0.000 1.148 214 P CA 1.560 64.654 63.100 -0.011 0.000 0.834 214 P CB 0.010 31.693 31.700 -0.028 0.000 0.783 215 Q N -2.217 117.467 119.800 -0.193 0.000 2.369 215 Q HA -0.099 4.241 4.340 0.001 0.000 0.206 215 Q C 1.194 177.096 176.000 -0.164 0.000 0.963 215 Q CA 1.202 56.839 55.803 -0.277 0.000 0.894 215 Q CB -0.607 27.829 28.738 -0.502 0.000 0.965 215 Q HN 0.177 nan 8.270 nan 0.000 0.475 216 F N 0.330 120.279 119.950 -0.001 0.000 2.437 216 F HA 0.445 4.973 4.527 0.001 0.000 0.288 216 F C 1.431 177.250 175.800 0.032 0.000 1.085 216 F CA 0.631 58.639 58.000 0.014 0.000 1.430 216 F CB 0.622 39.620 39.000 -0.004 0.000 1.120 216 F HN 0.293 nan 8.300 nan 0.000 0.556 217 G N -0.658 108.278 108.800 0.227 0.000 2.455 217 G HA2 0.372 4.333 3.960 0.001 0.000 0.223 217 G HA3 0.372 4.333 3.960 0.001 0.000 0.223 217 G C -2.087 172.909 174.900 0.160 0.000 1.226 217 G CA -0.148 45.052 45.100 0.167 0.000 0.948 217 G HN 0.133 nan 8.290 nan 0.000 0.478 218 D N -1.602 118.902 120.400 0.173 0.000 2.677 218 D HA 0.467 5.108 4.640 0.001 0.000 0.298 218 D C 1.210 177.646 176.300 0.226 0.000 1.250 218 D CA -0.793 53.312 54.000 0.175 0.000 0.888 218 D CB 0.128 40.999 40.800 0.118 0.000 1.397 218 D HN 0.367 nan 8.370 nan 0.000 0.461 219 L N -0.348 121.003 121.223 0.212 0.000 1.990 219 L HA -0.063 4.278 4.340 0.001 0.000 0.213 219 L C -0.651 176.340 176.870 0.201 0.000 1.072 219 L CA 2.338 57.315 54.840 0.228 0.000 0.755 219 L CB -2.400 39.746 42.059 0.144 0.000 0.889 219 L HN 0.432 nan 8.230 nan 0.000 0.432 220 P HA -0.114 nan 4.420 nan 0.000 0.215 220 P C 1.717 179.067 177.300 0.083 0.000 1.153 220 P CA 1.532 64.681 63.100 0.081 0.000 0.853 220 P CB -0.025 31.708 31.700 0.055 0.000 0.788 221 T N -1.221 113.397 114.554 0.106 0.000 2.821 221 T HA -0.135 4.216 4.350 0.001 0.000 0.267 221 T C 1.447 176.203 174.700 0.093 0.000 1.046 221 T CA 0.912 63.062 62.100 0.083 0.000 1.139 221 T CB -0.953 67.971 68.868 0.093 0.000 0.871 221 T HN 0.028 nan 8.240 nan 0.000 0.454 222 F N 2.267 122.238 119.950 0.035 0.000 2.146 222 F HA -0.043 4.485 4.527 0.001 0.000 0.298 222 F C 2.389 178.185 175.800 -0.007 0.000 1.096 222 F CA 1.043 59.057 58.000 0.024 0.000 1.275 222 F CB -0.048 39.040 39.000 0.148 0.000 1.008 222 F HN -0.149 nan 8.300 nan 0.000 0.480 223 R N 0.337 120.876 120.500 0.065 0.000 2.081 223 R HA -0.148 4.193 4.340 0.001 0.000 0.235 223 R C 2.323 178.529 176.300 -0.157 0.000 1.131 223 R CA 1.354 57.418 56.100 -0.060 0.000 0.960 223 R CB -0.851 29.457 30.300 0.014 0.000 0.856 223 R HN 0.226 nan 8.270 nan 0.000 0.436 224 R N 1.142 121.579 120.500 -0.105 0.000 2.073 224 R HA -0.118 4.223 4.340 0.001 0.000 0.234 224 R C 2.203 178.398 176.300 -0.175 0.000 1.134 224 R CA 1.234 57.268 56.100 -0.110 0.000 0.952 224 R CB -0.913 29.350 30.300 -0.062 0.000 0.850 224 R HN 0.170 nan 8.270 nan 0.000 0.433 225 L N -0.068 121.018 121.223 -0.227 0.000 2.042 225 L HA -0.117 4.224 4.340 0.001 0.000 0.210 225 L C 1.964 178.605 176.870 -0.382 0.000 1.076 225 L CA 1.700 56.376 54.840 -0.274 0.000 0.749 225 L CB -0.638 41.227 42.059 -0.323 0.000 0.893 225 L HN 0.098 nan 8.230 nan 0.000 0.432 226 V N 0.136 119.715 119.914 -0.559 0.000 2.261 226 V HA -0.296 3.825 4.120 0.001 0.000 0.246 226 V C 2.350 178.066 176.094 -0.631 0.000 1.047 226 V CA 2.098 64.002 62.300 -0.659 0.000 1.015 226 V CB -0.859 30.582 31.823 -0.636 0.000 0.642 226 V HN 0.470 nan 8.190 nan 0.000 0.446 227 D N -0.452 119.726 120.400 -0.371 0.000 2.117 227 D HA -0.136 4.505 4.640 0.001 0.000 0.197 227 D C 2.262 178.477 176.300 -0.142 0.000 0.987 227 D CA 0.970 54.844 54.000 -0.210 0.000 0.829 227 D CB -0.211 40.520 40.800 -0.115 0.000 0.961 227 D HN 0.387 nan 8.370 nan 0.000 0.460 228 E N 0.500 120.613 120.200 -0.146 0.000 2.150 228 E HA -0.049 4.302 4.350 0.001 0.000 0.193 228 E C 1.974 178.527 176.600 -0.078 0.000 0.985 228 E CA 0.544 56.889 56.400 -0.093 0.000 0.814 228 E CB -0.092 29.558 29.700 -0.083 0.000 0.752 228 E HN 0.222 nan 8.360 nan 0.000 0.466 229 A N 0.167 122.914 122.820 -0.121 0.000 1.930 229 A HA -0.116 4.205 4.320 0.001 0.000 0.215 229 A C 1.859 179.444 177.584 0.002 0.000 1.176 229 A CA 1.043 53.036 52.037 -0.073 0.000 0.632 229 A CB -0.677 18.261 19.000 -0.102 0.000 0.819 229 A HN 0.309 nan 8.150 nan 0.000 0.445 230 H N 0.056 119.061 119.070 -0.108 0.000 2.321 230 H HA -0.135 4.422 4.556 0.001 0.000 0.300 230 H C 2.323 177.593 175.328 -0.097 0.000 1.087 230 H CA 1.324 57.302 56.048 -0.117 0.000 1.319 230 H CB -0.011 29.681 29.762 -0.117 0.000 1.379 230 H HN 0.592 nan 8.280 nan 0.000 0.501 231 R N 1.167 121.699 120.500 0.053 0.000 2.293 231 R HA -0.042 4.299 4.340 0.001 0.000 0.219 231 R C 1.283 177.573 176.300 -0.017 0.000 1.091 231 R CA 1.035 57.136 56.100 0.002 0.000 1.004 231 R CB -0.089 30.205 30.300 -0.010 0.000 0.865 231 R HN 0.240 nan 8.270 nan 0.000 0.469 232 R N 0.459 120.950 120.500 -0.015 0.000 2.468 232 R HA 0.142 4.482 4.340 0.001 0.000 0.280 232 R C 0.247 176.523 176.300 -0.040 0.000 0.963 232 R CA 0.370 56.453 56.100 -0.027 0.000 1.083 232 R CB 0.998 31.284 30.300 -0.023 0.000 1.200 232 R HN 0.498 nan 8.270 nan 0.000 0.541 233 G N 1.871 110.643 108.800 -0.046 0.000 2.221 233 G HA2 -0.271 3.690 3.960 0.001 0.000 0.265 233 G HA3 -0.271 3.690 3.960 0.001 0.000 0.265 233 G C 0.025 174.879 174.900 -0.076 0.000 1.041 233 G CA 0.116 45.169 45.100 -0.078 0.000 0.807 233 G HN 0.294 nan 8.290 nan 0.000 0.502 234 I N 0.041 120.587 120.570 -0.039 0.000 2.389 234 I HA 0.345 4.516 4.170 0.001 0.000 0.288 234 I C 0.502 176.620 176.117 0.002 0.000 0.999 234 I CA -0.814 60.466 61.300 -0.033 0.000 1.129 234 I CB 1.548 39.534 38.000 -0.024 0.000 1.288 234 I HN -0.049 nan 8.210 nan 0.000 0.444 235 K N 5.372 125.723 120.400 -0.083 0.000 2.098 235 K HA 0.609 4.930 4.320 0.001 0.000 0.257 235 K C -0.940 175.668 176.600 0.013 0.000 0.999 235 K CA -0.696 55.532 56.287 -0.097 0.000 0.924 235 K CB 1.495 33.697 32.500 -0.497 0.000 1.028 235 K HN 0.322 nan 8.250 nan 0.000 0.466 236 I N 2.420 123.021 120.570 0.052 0.000 2.389 236 I HA 0.320 4.491 4.170 0.001 0.000 0.288 236 I C -0.514 175.695 176.117 0.154 0.000 0.999 236 I CA -0.142 61.230 61.300 0.120 0.000 1.129 236 I CB 1.278 39.282 38.000 0.006 0.000 1.288 236 I HN 0.376 nan 8.210 nan 0.000 0.444 237 I N 6.795 127.526 120.570 0.269 0.000 2.436 237 I HA 0.435 4.606 4.170 0.001 0.000 0.289 237 I C -0.631 175.663 176.117 0.295 0.000 1.010 237 I CA -0.556 60.904 61.300 0.267 0.000 1.098 237 I CB 1.298 39.563 38.000 0.441 0.000 1.266 237 I HN 0.276 nan 8.210 nan 0.000 0.434 238 L N 4.508 125.776 121.223 0.075 0.000 2.352 238 L HA 0.470 4.811 4.340 0.001 0.000 0.269 238 L C -0.147 176.820 176.870 0.161 0.000 1.034 238 L CA -0.752 54.105 54.840 0.029 0.000 0.806 238 L CB 1.468 43.391 42.059 -0.226 0.000 1.244 238 L HN 0.521 nan 8.230 nan 0.000 0.447 239 D N 1.649 122.077 120.400 0.047 0.000 2.313 239 D HA 0.388 5.029 4.640 0.001 0.000 0.239 239 D C -0.705 175.562 176.300 -0.055 0.000 1.142 239 D CA -0.106 53.931 54.000 0.062 0.000 0.847 239 D CB 1.768 42.578 40.800 0.016 0.000 1.082 239 D HN 0.552 nan 8.370 nan 0.000 0.480 240 A N 3.830 126.617 122.820 -0.055 0.000 2.260 240 A HA 0.435 4.756 4.320 0.001 0.000 0.314 240 A C -0.283 177.028 177.584 -0.456 0.000 1.257 240 A CA -0.645 51.168 52.037 -0.373 0.000 0.871 240 A CB 0.967 19.359 19.000 -1.013 0.000 1.166 240 A HN 0.380 nan 8.150 nan 0.000 0.522 241 V N 4.429 124.226 119.914 -0.195 0.000 2.217 241 V HA 0.181 4.302 4.120 0.001 0.000 0.264 241 V C -0.174 175.995 176.094 0.125 0.000 1.107 241 V CA 0.015 62.257 62.300 -0.097 0.000 0.913 241 V CB -0.663 31.125 31.823 -0.059 0.000 1.153 241 V HN 0.857 nan 8.190 nan 0.000 0.469 242 F N 1.476 121.383 119.950 -0.072 0.000 2.746 242 F HA 0.145 4.673 4.527 0.001 0.000 0.297 242 F C 1.997 177.623 175.800 -0.289 0.000 1.113 242 F CA -0.139 57.739 58.000 -0.203 0.000 1.367 242 F CB -0.725 38.100 39.000 -0.291 0.000 1.111 242 F HN 0.468 nan 8.300 nan 0.000 0.590 243 N N 0.222 118.894 118.700 -0.047 0.000 2.244 243 N HA -0.132 4.609 4.740 0.001 0.000 0.183 243 N C -0.021 175.538 175.510 0.082 0.000 1.016 243 N CA 1.102 54.145 53.050 -0.013 0.000 0.866 243 N CB -0.053 38.502 38.487 0.114 0.000 0.980 243 N HN 0.445 nan 8.380 nan 0.000 0.430 244 H N -3.440 115.705 119.070 0.125 0.000 3.037 244 H HA 0.776 5.333 4.556 0.001 0.000 0.355 244 H C -1.292 174.131 175.328 0.159 0.000 1.263 244 H CA -0.860 55.274 56.048 0.143 0.000 1.129 244 H CB 1.031 30.902 29.762 0.183 0.000 1.861 244 H HN 0.027 nan 8.280 nan 0.000 0.546 245 A N 1.039 124.023 122.820 0.274 0.000 2.312 245 A HA 0.848 5.169 4.320 0.001 0.000 0.310 245 A C 0.454 178.167 177.584 0.216 0.000 1.139 245 A CA -0.550 51.592 52.037 0.175 0.000 0.886 245 A CB 0.704 19.642 19.000 -0.102 0.000 1.350 245 A HN 1.095 nan 8.150 nan 0.000 0.479 246 G N -0.988 107.917 108.800 0.174 0.000 2.502 246 G HA2 0.417 4.378 3.960 0.001 0.000 0.305 246 G HA3 0.417 4.378 3.960 0.001 0.000 0.305 246 G C 0.129 175.118 174.900 0.148 0.000 1.190 246 G CA 0.395 45.598 45.100 0.171 0.000 0.933 246 G HN 0.744 nan 8.290 nan 0.000 0.503 247 D N -0.842 119.617 120.400 0.098 0.000 2.371 247 D HA -0.097 4.544 4.640 0.001 0.000 0.221 247 D C 1.429 177.909 176.300 0.299 0.000 0.986 247 D CA 0.639 54.719 54.000 0.133 0.000 0.899 247 D CB 0.209 41.110 40.800 0.168 0.000 0.902 247 D HN 0.313 nan 8.370 nan 0.000 0.530 248 Q N -0.535 119.416 119.800 0.253 0.000 2.356 248 Q HA 0.082 4.422 4.340 0.001 0.000 0.205 248 Q C 0.102 176.280 176.000 0.297 0.000 0.901 248 Q CA -0.446 55.495 55.803 0.231 0.000 0.938 248 Q CB -0.083 28.764 28.738 0.181 0.000 1.081 248 Q HN 0.293 nan 8.270 nan 0.000 0.517 249 F N 2.693 122.754 119.950 0.186 0.000 2.623 249 F HA -0.135 4.393 4.527 0.001 0.000 0.383 249 F C 1.264 177.133 175.800 0.114 0.000 1.077 249 F CA -1.020 57.104 58.000 0.206 0.000 1.268 249 F CB 0.228 39.382 39.000 0.257 0.000 1.053 249 F HN 0.077 nan 8.300 nan 0.000 0.571 250 F N 4.602 124.322 119.950 -0.383 0.000 2.115 250 F HA -0.212 4.316 4.527 0.001 0.000 0.300 250 F C 1.804 177.225 175.800 -0.632 0.000 1.092 250 F CA 1.666 59.385 58.000 -0.469 0.000 1.245 250 F CB -1.373 37.337 39.000 -0.483 0.000 0.995 250 F HN 0.413 nan 8.300 nan 0.000 0.481 251 A N 0.266 121.703 122.820 -2.304 0.000 1.902 251 A HA -0.138 4.183 4.320 0.001 0.000 0.217 251 A C 2.173 179.507 177.584 -0.416 0.000 1.181 251 A CA 1.609 52.663 52.037 -1.638 0.000 0.623 251 A CB -1.570 16.532 19.000 -1.497 0.000 0.818 251 A HN 0.540 nan 8.150 nan 0.000 0.443 252 F N 0.539 120.353 119.950 -0.228 0.000 2.186 252 F HA -0.061 4.467 4.527 0.001 0.000 0.299 252 F C 2.418 178.040 175.800 -0.296 0.000 1.090 252 F CA 1.410 59.176 58.000 -0.390 0.000 1.307 252 F CB -0.150 38.662 39.000 -0.314 0.000 1.019 252 F HN 0.108 nan 8.300 nan 0.000 0.489 253 R N -0.247 120.171 120.500 -0.137 0.000 2.152 253 R HA -0.176 4.165 4.340 0.001 0.000 0.232 253 R C 1.775 177.944 176.300 -0.218 0.000 1.117 253 R CA 1.594 57.603 56.100 -0.152 0.000 0.981 253 R CB -0.687 29.591 30.300 -0.036 0.000 0.870 253 R HN 0.333 nan 8.270 nan 0.000 0.451 254 D N 0.126 120.383 120.400 -0.238 0.000 2.117 254 D HA -0.114 4.526 4.640 0.001 0.000 0.198 254 D C 1.748 177.923 176.300 -0.207 0.000 0.982 254 D CA 0.898 54.792 54.000 -0.175 0.000 0.828 254 D CB 0.274 40.995 40.800 -0.131 0.000 0.967 254 D HN -0.075 nan 8.370 nan 0.000 0.464 255 V N 0.503 120.233 119.914 -0.306 0.000 2.407 255 V HA -0.184 3.936 4.120 0.001 0.000 0.248 255 V C 2.536 178.407 176.094 -0.371 0.000 1.055 255 V CA 1.093 63.197 62.300 -0.328 0.000 1.049 255 V CB -0.504 31.060 31.823 -0.432 0.000 0.662 255 V HN 0.327 nan 8.190 nan 0.000 0.455 256 L N -0.411 120.510 121.223 -0.503 0.000 2.201 256 L HA -0.190 4.151 4.340 0.001 0.000 0.212 256 L C 2.536 179.285 176.870 -0.201 0.000 1.105 256 L CA 1.373 55.992 54.840 -0.368 0.000 0.775 256 L CB -0.212 41.627 42.059 -0.367 0.000 0.913 256 L HN 0.383 nan 8.230 nan 0.000 0.440 257 Q N 0.096 119.785 119.800 -0.185 0.000 2.200 257 Q HA -0.065 4.276 4.340 0.001 0.000 0.197 257 Q C 1.757 177.682 176.000 -0.126 0.000 0.953 257 Q CA 1.343 57.071 55.803 -0.125 0.000 0.851 257 Q CB 0.291 28.970 28.738 -0.099 0.000 0.938 257 Q HN 0.229 nan 8.270 nan 0.000 0.488 258 K N -0.477 119.833 120.400 -0.150 0.000 2.367 258 K HA 0.282 4.602 4.320 0.001 0.000 0.194 258 K C 0.897 177.354 176.600 -0.239 0.000 1.027 258 K CA 0.330 56.521 56.287 -0.160 0.000 1.075 258 K CB 0.558 32.976 32.500 -0.137 0.000 0.845 258 K HN 0.338 nan 8.250 nan 0.000 0.529 259 G N 3.281 111.912 108.800 -0.282 0.000 2.634 259 G HA2 -0.422 3.538 3.960 0.001 0.000 0.309 259 G HA3 -0.422 3.538 3.960 0.001 0.000 0.309 259 G C 0.704 175.092 174.900 -0.853 0.000 1.265 259 G CA 0.753 45.551 45.100 -0.504 0.000 0.998 259 G HN 0.506 nan 8.290 nan 0.000 0.551 260 E N 0.649 120.130 120.200 -1.198 0.000 2.515 260 E HA -0.064 4.287 4.350 0.001 0.000 0.201 260 E C 1.707 178.064 176.600 -0.405 0.000 1.071 260 E CA 1.191 57.025 56.400 -0.943 0.000 0.880 260 E CB -0.044 29.247 29.700 -0.681 0.000 0.828 260 E HN 0.521 nan 8.360 nan 0.000 0.540 261 Q N 0.711 120.313 119.800 -0.330 0.000 2.319 261 Q HA 0.171 4.512 4.340 0.001 0.000 0.202 261 Q C 0.162 176.057 176.000 -0.176 0.000 0.896 261 Q CA 0.111 55.793 55.803 -0.203 0.000 0.942 261 Q CB 0.863 29.503 28.738 -0.164 0.000 1.083 261 Q HN 0.077 nan 8.270 nan 0.000 0.510 262 S N 0.959 116.541 115.700 -0.196 0.000 2.565 262 S HA 0.198 4.669 4.470 0.001 0.000 0.276 262 S C 1.108 175.605 174.600 -0.173 0.000 1.326 262 S CA -0.380 57.733 58.200 -0.146 0.000 1.045 262 S CB 1.231 64.364 63.200 -0.111 0.000 0.918 262 S HN 0.111 nan 8.310 nan 0.000 0.505 263 R N 1.209 121.539 120.500 -0.283 0.000 2.313 263 R HA 0.060 4.401 4.340 0.001 0.000 0.199 263 R C -0.118 175.751 176.300 -0.718 0.000 0.958 263 R CA 0.751 56.566 56.100 -0.476 0.000 1.047 263 R CB -0.166 29.770 30.300 -0.607 0.000 0.955 263 R HN 0.713 nan 8.270 nan 0.000 0.481 264 Y N -0.332 119.763 120.300 -0.341 0.000 2.557 264 Y HA 0.113 4.664 4.550 0.001 0.000 0.247 264 Y C 1.773 177.647 175.900 -0.043 0.000 1.164 264 Y CA -0.380 57.362 58.100 -0.596 0.000 1.218 264 Y CB 0.315 38.246 38.460 -0.882 0.000 1.210 264 Y HN -0.033 nan 8.280 nan 0.000 0.529 265 K N -0.186 120.306 120.400 0.153 0.000 2.152 265 K HA -0.183 4.137 4.320 0.001 0.000 0.206 265 K C 0.297 177.124 176.600 0.380 0.000 1.048 265 K CA 2.109 58.584 56.287 0.312 0.000 0.933 265 K CB -0.151 32.501 32.500 0.253 0.000 0.721 265 K HN 0.107 nan 8.250 nan 0.000 0.447 266 D N -0.283 120.288 120.400 0.285 0.000 2.336 266 D HA -0.036 4.605 4.640 0.001 0.000 0.229 266 D C 0.434 176.873 176.300 0.231 0.000 1.061 266 D CA 0.351 54.479 54.000 0.214 0.000 0.875 266 D CB -0.092 40.792 40.800 0.140 0.000 0.904 266 D HN 0.380 nan 8.370 nan 0.000 0.525 267 W N -0.068 121.202 121.300 -0.050 0.000 3.256 267 W HA 0.196 4.857 4.660 0.001 0.000 0.269 267 W C 0.160 176.268 176.519 -0.685 0.000 1.310 267 W CA -0.253 56.874 57.345 -0.364 0.000 1.673 267 W CB -0.263 28.939 29.460 -0.430 0.000 1.115 267 W HN -0.195 nan 8.180 nan 0.000 0.686 268 F N -2.019 118.065 119.950 0.224 0.000 2.764 268 F HA 0.479 5.007 4.527 0.001 0.000 0.347 268 F C -0.752 175.076 175.800 0.047 0.000 1.151 268 F CA -1.783 56.349 58.000 0.220 0.000 1.021 268 F CB 0.501 39.706 39.000 0.341 0.000 1.438 268 F HN -0.534 nan 8.300 nan 0.000 0.516 269 F N 2.232 122.419 119.950 0.394 0.000 2.359 269 F HA 0.515 5.043 4.527 0.001 0.000 0.370 269 F C -0.525 175.420 175.800 0.240 0.000 1.077 269 F CA -0.349 57.798 58.000 0.244 0.000 1.136 269 F CB 0.580 39.692 39.000 0.187 0.000 1.387 269 F HN 0.014 nan 8.300 nan 0.000 0.468 270 I N 2.961 123.691 120.570 0.267 0.000 2.354 270 I HA 0.217 4.388 4.170 0.001 0.000 0.292 270 I C 1.041 177.144 176.117 -0.024 0.000 0.989 270 I CA -0.359 60.996 61.300 0.091 0.000 1.188 270 I CB 1.776 39.672 38.000 -0.173 0.000 1.342 270 I HN 0.584 nan 8.210 nan 0.000 0.457 271 E N 4.327 124.521 120.200 -0.011 0.000 2.076 271 E HA -0.035 4.316 4.350 0.001 0.000 0.190 271 E C -0.617 175.916 176.600 -0.112 0.000 0.979 271 E CA 0.542 56.927 56.400 -0.025 0.000 0.807 271 E CB 0.066 29.771 29.700 0.009 0.000 0.761 271 E HN 0.777 nan 8.360 nan 0.000 0.454 272 D N -1.031 119.247 120.400 -0.203 0.000 2.663 272 D HA 0.335 4.976 4.640 0.001 0.000 0.233 272 D C -1.253 174.860 176.300 -0.311 0.000 1.240 272 D CA -0.718 53.151 54.000 -0.218 0.000 0.774 272 D CB 0.347 41.120 40.800 -0.044 0.000 1.443 272 D HN -0.040 nan 8.370 nan 0.000 0.441 273 F N 0.293 120.270 119.950 0.047 0.000 2.403 273 F HA 0.587 5.115 4.527 0.001 0.000 0.326 273 F C -1.355 174.459 175.800 0.022 0.000 1.081 273 F CA -1.464 56.552 58.000 0.026 0.000 1.041 273 F CB 0.460 39.460 39.000 -0.000 0.000 1.234 273 F HN 0.213 nan 8.300 nan 0.000 0.503 274 P HA 0.193 nan 4.420 nan 0.000 0.272 274 P C -0.846 176.563 177.300 0.183 0.000 1.240 274 P CA -0.372 62.864 63.100 0.227 0.000 0.791 274 P CB 1.157 32.925 31.700 0.114 0.000 0.978 275 V N -1.516 118.498 119.914 0.167 0.000 2.221 275 V HA 0.611 4.732 4.120 0.001 0.000 0.258 275 V C 0.131 176.352 176.094 0.211 0.000 1.179 275 V CA -0.120 62.267 62.300 0.145 0.000 1.022 275 V CB -0.785 31.014 31.823 -0.040 0.000 1.228 275 V HN 0.797 nan 8.190 nan 0.000 0.487 276 S N 2.474 118.312 115.700 0.230 0.000 2.701 276 S HA 0.633 5.104 4.470 0.001 0.000 0.267 276 S C -1.545 173.132 174.600 0.128 0.000 1.034 276 S CA -0.605 57.728 58.200 0.221 0.000 0.867 276 S CB 1.761 65.057 63.200 0.160 0.000 1.123 276 S HN 0.902 nan 8.310 nan 0.000 0.470 277 K N 0.289 120.748 120.400 0.098 0.000 3.191 277 K HA 0.196 4.517 4.320 0.001 0.000 0.325 277 K C -1.660 174.966 176.600 0.043 0.000 1.105 277 K CA -0.359 55.961 56.287 0.056 0.000 0.843 277 K CB 0.789 33.311 32.500 0.037 0.000 1.452 277 K HN 0.756 nan 8.250 nan 0.000 0.393 278 T N 1.910 116.481 114.554 0.029 0.000 2.738 278 T HA 0.211 4.562 4.350 0.001 0.000 0.293 278 T C 0.569 175.273 174.700 0.008 0.000 0.913 278 T CA 0.852 62.964 62.100 0.021 0.000 1.103 278 T CB 0.144 69.023 68.868 0.017 0.000 0.880 278 T HN 0.554 nan 8.240 nan 0.000 0.526 279 S N 1.010 116.711 115.700 0.003 0.000 2.981 279 S HA -0.188 4.283 4.470 0.001 0.000 0.274 279 S C 0.514 175.098 174.600 -0.026 0.000 1.297 279 S CA 1.430 59.623 58.200 -0.012 0.000 1.266 279 S CB -0.713 62.481 63.200 -0.011 0.000 1.542 279 S HN 0.814 nan 8.310 nan 0.000 0.674 280 R N 1.374 121.860 120.500 -0.022 0.000 2.750 280 R HA 0.711 5.051 4.340 0.001 0.000 0.281 280 R C -0.944 175.324 176.300 -0.054 0.000 0.972 280 R CA 0.430 56.508 56.100 -0.037 0.000 0.912 280 R CB 1.747 32.038 30.300 -0.016 0.000 1.187 280 R HN 0.233 nan 8.270 nan 0.000 0.464 281 T N 0.510 114.999 114.554 -0.108 0.000 3.193 281 T HA 0.278 4.629 4.350 0.001 0.000 0.332 281 T C -1.005 173.573 174.700 -0.205 0.000 1.208 281 T CA -1.081 60.892 62.100 -0.211 0.000 1.080 281 T CB 0.965 69.538 68.868 -0.491 0.000 1.180 281 T HN 0.660 nan 8.240 nan 0.000 0.469 282 N N 1.216 119.872 118.700 -0.073 0.000 2.558 282 N HA 0.390 5.131 4.740 0.001 0.000 0.281 282 N C -0.615 174.978 175.510 0.138 0.000 1.219 282 N CA -0.750 52.310 53.050 0.017 0.000 0.942 282 N CB -0.438 38.077 38.487 0.046 0.000 1.241 282 N HN 0.846 nan 8.380 nan 0.000 0.511 283 Y N -3.678 116.653 120.300 0.053 0.000 2.565 283 Y HA 0.460 5.011 4.550 0.001 0.000 0.330 283 Y C -0.613 175.351 175.900 0.105 0.000 1.150 283 Y CA -1.578 56.587 58.100 0.108 0.000 1.055 283 Y CB 0.762 39.328 38.460 0.177 0.000 1.337 283 Y HN -0.041 nan 8.280 nan 0.000 0.457 284 E N 1.920 122.284 120.200 0.273 0.000 2.384 284 E HA 0.406 4.757 4.350 0.001 0.000 0.266 284 E C -0.295 176.416 176.600 0.184 0.000 1.012 284 E CA 0.474 56.944 56.400 0.116 0.000 0.901 284 E CB 0.830 30.535 29.700 0.007 0.000 0.967 284 E HN 0.841 nan 8.360 nan 0.000 0.435 285 T N 0.804 115.383 114.554 0.042 0.000 2.742 285 T HA 0.340 4.691 4.350 0.001 0.000 0.282 285 T C -0.379 174.331 174.700 0.016 0.000 1.025 285 T CA -0.904 61.241 62.100 0.075 0.000 1.020 285 T CB 0.426 69.298 68.868 0.006 0.000 1.317 285 T HN 0.394 nan 8.240 nan 0.000 0.538 286 F N 2.049 121.900 119.950 -0.166 0.000 2.529 286 F HA 0.438 4.966 4.527 0.001 0.000 0.365 286 F C 1.149 176.857 175.800 -0.153 0.000 1.102 286 F CA 0.760 58.613 58.000 -0.246 0.000 1.271 286 F CB -0.326 38.297 39.000 -0.628 0.000 1.120 286 F HN 1.312 nan 8.300 nan 0.000 0.579 287 A N 2.841 125.058 122.820 -1.004 0.000 5.382 287 A HA -0.248 4.073 4.320 0.001 0.000 0.307 287 A C -0.569 176.793 177.584 -0.370 0.000 1.937 287 A CA 1.059 52.627 52.037 -0.782 0.000 0.715 287 A CB -2.058 16.367 19.000 -0.958 0.000 1.293 287 A HN 1.349 nan 8.150 nan 0.000 0.374 288 V N 0.216 119.963 119.914 -0.278 0.000 2.577 288 V HA 0.616 4.737 4.120 0.001 0.000 0.303 288 V C -0.123 175.889 176.094 -0.136 0.000 1.042 288 V CA 0.258 62.451 62.300 -0.178 0.000 0.872 288 V CB 1.479 33.213 31.823 -0.147 0.000 0.998 288 V HN 1.091 nan 8.190 nan 0.000 0.423 289 Q N 1.802 121.523 119.800 -0.133 0.000 2.463 289 Q HA -0.147 4.194 4.340 0.001 0.000 0.299 289 Q C -0.374 175.576 176.000 -0.083 0.000 1.353 289 Q CA 0.426 56.157 55.803 -0.120 0.000 0.828 289 Q CB -1.087 27.595 28.738 -0.093 0.000 1.157 289 Q HN 0.668 nan 8.270 nan 0.000 0.436 290 V N 0.597 120.470 119.914 -0.068 0.000 2.250 290 V HA 0.110 4.231 4.120 0.001 0.000 0.268 290 V C -1.379 174.733 176.094 0.029 0.000 1.043 290 V CA -1.070 61.234 62.300 0.006 0.000 0.814 290 V CB 1.353 33.217 31.823 0.070 0.000 1.072 290 V HN 0.052 nan 8.190 nan 0.000 0.451 291 P HA -0.194 nan 4.420 nan 0.000 0.216 291 P C 1.513 178.927 177.300 0.191 0.000 1.150 291 P CA 1.698 64.882 63.100 0.140 0.000 0.843 291 P CB 0.332 32.112 31.700 0.133 0.000 0.787 292 A N -1.927 120.975 122.820 0.137 0.000 2.206 292 A HA 0.047 4.368 4.320 0.001 0.000 0.211 292 A C 1.321 178.968 177.584 0.106 0.000 1.158 292 A CA 0.810 52.924 52.037 0.130 0.000 0.761 292 A CB -0.880 18.212 19.000 0.154 0.000 0.801 292 A HN 0.157 nan 8.150 nan 0.000 0.473 293 M N 1.502 121.158 119.600 0.094 0.000 2.746 293 M HA 0.217 4.697 4.480 0.001 0.000 0.209 293 M C -2.830 173.531 176.300 0.102 0.000 1.077 293 M CA -1.719 53.630 55.300 0.082 0.000 0.695 293 M CB 1.495 34.078 32.600 -0.029 0.000 1.416 293 M HN -0.027 nan 8.290 nan 0.000 0.459 294 P HA 0.026 nan 4.420 nan 0.000 0.271 294 P C -0.716 176.783 177.300 0.332 0.000 1.226 294 P CA 0.131 63.297 63.100 0.109 0.000 0.765 294 P CB 0.683 31.997 31.700 -0.644 0.000 0.835 295 K N 4.233 124.866 120.400 0.387 0.000 2.448 295 K HA 0.137 4.458 4.320 0.001 0.000 0.278 295 K C -0.324 176.532 176.600 0.426 0.000 1.009 295 K CA -0.301 56.214 56.287 0.380 0.000 0.995 295 K CB 0.079 32.730 32.500 0.251 0.000 0.917 295 K HN 0.470 nan 8.250 nan 0.000 0.481 296 L N 4.423 125.790 121.223 0.240 0.000 2.312 296 L HA 0.323 4.664 4.340 0.001 0.000 0.281 296 L C 0.759 177.673 176.870 0.074 0.000 1.070 296 L CA -0.496 54.355 54.840 0.019 0.000 0.805 296 L CB 1.164 43.139 42.059 -0.140 0.000 1.174 296 L HN 0.604 nan 8.230 nan 0.000 0.434 297 R N 1.255 121.707 120.500 -0.079 0.000 2.891 297 R HA 0.052 4.393 4.340 0.001 0.000 0.248 297 R C 1.048 177.214 176.300 -0.224 0.000 1.439 297 R CA -0.007 56.021 56.100 -0.119 0.000 1.288 297 R CB 0.214 30.252 30.300 -0.436 0.000 1.212 297 R HN 0.832 nan 8.270 nan 0.000 0.605 298 T N -0.832 113.599 114.554 -0.205 0.000 3.051 298 T HA -0.086 4.265 4.350 0.001 0.000 0.269 298 T C 1.001 175.587 174.700 -0.191 0.000 1.127 298 T CA 0.940 62.845 62.100 -0.324 0.000 1.107 298 T CB 0.046 68.532 68.868 -0.636 0.000 0.898 298 T HN 0.581 nan 8.240 nan 0.000 0.517 299 E N 1.142 121.265 120.200 -0.128 0.000 2.358 299 E HA 0.043 4.394 4.350 0.001 0.000 0.195 299 E C 0.749 177.270 176.600 -0.131 0.000 1.010 299 E CA -0.145 56.206 56.400 -0.082 0.000 0.856 299 E CB 0.001 29.688 29.700 -0.023 0.000 0.795 299 E HN 0.411 nan 8.360 nan 0.000 0.504 300 N N 1.342 119.918 118.700 -0.207 0.000 2.452 300 N HA -0.003 4.738 4.740 0.001 0.000 0.266 300 N C -2.013 173.331 175.510 -0.277 0.000 1.175 300 N CA -1.657 51.247 53.050 -0.243 0.000 0.945 300 N CB 1.204 39.485 38.487 -0.343 0.000 1.063 300 N HN -0.207 nan 8.380 nan 0.000 0.472 301 P HA -0.115 nan 4.420 nan 0.000 0.218 301 P C 0.524 177.675 177.300 -0.249 0.000 1.148 301 P CA 1.354 64.336 63.100 -0.196 0.000 0.822 301 P CB 0.385 32.018 31.700 -0.112 0.000 0.784 302 E N -0.765 119.267 120.200 -0.280 0.000 2.072 302 E HA -0.085 4.266 4.350 0.001 0.000 0.190 302 E C 1.985 178.162 176.600 -0.705 0.000 0.982 302 E CA 0.954 57.167 56.400 -0.311 0.000 0.803 302 E CB -0.589 29.062 29.700 -0.082 0.000 0.755 302 E HN 0.063 nan 8.360 nan 0.000 0.453 303 V N 1.992 121.289 119.914 -1.027 0.000 2.261 303 V HA -0.288 3.833 4.120 0.001 0.000 0.246 303 V C 2.454 178.222 176.094 -0.543 0.000 1.047 303 V CA 1.997 63.687 62.300 -1.017 0.000 1.015 303 V CB -0.498 30.833 31.823 -0.821 0.000 0.642 303 V HN 0.207 nan 8.190 nan 0.000 0.446 304 K N 0.092 120.208 120.400 -0.474 0.000 2.044 304 K HA -0.301 4.020 4.320 0.001 0.000 0.210 304 K C 2.212 178.347 176.600 -0.776 0.000 1.049 304 K CA 2.183 58.123 56.287 -0.578 0.000 0.927 304 K CB -0.189 31.932 32.500 -0.631 0.000 0.713 304 K HN 0.395 nan 8.250 nan 0.000 0.443 305 E N -0.004 119.908 120.200 -0.481 0.000 2.085 305 E HA -0.230 4.121 4.350 0.001 0.000 0.194 305 E C 1.811 178.353 176.600 -0.096 0.000 0.994 305 E CA 1.551 57.803 56.400 -0.246 0.000 0.801 305 E CB -0.505 29.134 29.700 -0.102 0.000 0.743 305 E HN 0.473 nan 8.360 nan 0.000 0.453 306 Y N 0.563 120.752 120.300 -0.185 0.000 2.114 306 Y HA -0.166 4.384 4.550 0.001 0.000 0.284 306 Y C 2.013 177.861 175.900 -0.086 0.000 1.143 306 Y CA 2.041 60.119 58.100 -0.037 0.000 1.135 306 Y CB -0.333 38.158 38.460 0.052 0.000 0.980 306 Y HN 0.046 nan 8.280 nan 0.000 0.499 307 L N -0.944 120.216 121.223 -0.105 0.000 2.127 307 L HA -0.250 4.091 4.340 0.001 0.000 0.211 307 L C 2.407 179.182 176.870 -0.159 0.000 1.089 307 L CA 1.357 55.981 54.840 -0.361 0.000 0.757 307 L CB -0.724 40.948 42.059 -0.645 0.000 0.899 307 L HN 0.312 nan 8.230 nan 0.000 0.434 308 F N 0.093 119.895 119.950 -0.248 0.000 2.234 308 F HA -0.207 4.321 4.527 0.001 0.000 0.299 308 F C 2.254 178.019 175.800 -0.058 0.000 1.087 308 F CA 0.252 58.174 58.000 -0.130 0.000 1.340 308 F CB -0.049 38.869 39.000 -0.136 0.000 1.031 308 F HN 0.171 nan 8.300 nan 0.000 0.500 309 D N 0.072 120.515 120.400 0.071 0.000 2.178 309 D HA -0.116 4.525 4.640 0.001 0.000 0.202 309 D C 2.322 178.638 176.300 0.028 0.000 0.974 309 D CA 0.787 54.793 54.000 0.010 0.000 0.841 309 D CB -0.286 40.451 40.800 -0.106 0.000 0.953 309 D HN 0.051 nan 8.370 nan 0.000 0.478 310 V N 1.318 121.207 119.914 -0.041 0.000 2.295 310 V HA -0.228 3.893 4.120 0.001 0.000 0.246 310 V C 2.536 178.939 176.094 0.515 0.000 1.049 310 V CA 1.757 64.147 62.300 0.150 0.000 1.024 310 V CB -0.775 31.121 31.823 0.122 0.000 0.648 310 V HN 0.172 nan 8.190 nan 0.000 0.447 311 A N 0.070 123.154 122.820 0.440 0.000 1.883 311 A HA -0.249 4.072 4.320 0.001 0.000 0.217 311 A C 2.373 180.321 177.584 0.606 0.000 1.186 311 A CA 1.990 54.392 52.037 0.608 0.000 0.624 311 A CB -0.517 18.713 19.000 0.383 0.000 0.822 311 A HN 0.518 nan 8.150 nan 0.000 0.444 312 R N -1.971 118.735 120.500 0.343 0.000 2.083 312 R HA -0.138 4.203 4.340 0.001 0.000 0.237 312 R C 2.050 178.495 176.300 0.243 0.000 1.137 312 R CA 1.639 57.884 56.100 0.243 0.000 0.951 312 R CB -0.605 29.781 30.300 0.144 0.000 0.851 312 R HN 0.595 nan 8.270 nan 0.000 0.434 313 F N 0.115 120.103 119.950 0.063 0.000 2.091 313 F HA -0.262 4.266 4.527 0.001 0.000 0.299 313 F C 1.626 177.332 175.800 -0.156 0.000 1.103 313 F CA 1.635 59.553 58.000 -0.136 0.000 1.228 313 F CB -0.218 38.583 39.000 -0.331 0.000 0.984 313 F HN 0.025 nan 8.300 nan 0.000 0.477 314 W N -0.203 121.340 121.300 0.405 0.000 2.476 314 W HA -0.047 4.614 4.660 0.001 0.000 0.281 314 W C 2.384 179.008 176.519 0.174 0.000 1.230 314 W CA 0.749 58.262 57.345 0.280 0.000 1.287 314 W CB -0.443 29.306 29.460 0.482 0.000 1.108 314 W HN -0.033 nan 8.180 nan 0.000 0.567 315 M N -0.072 119.787 119.600 0.432 0.000 2.296 315 M HA -0.151 4.329 4.480 0.001 0.000 0.265 315 M C 1.534 177.915 176.300 0.134 0.000 1.064 315 M CA 1.499 56.961 55.300 0.270 0.000 1.109 315 M CB -0.407 32.380 32.600 0.312 0.000 1.396 315 M HN 0.045 nan 8.290 nan 0.000 0.430 316 E N -0.009 120.222 120.200 0.050 0.000 2.268 316 E HA -0.155 4.196 4.350 0.001 0.000 0.195 316 E C 1.812 178.368 176.600 -0.074 0.000 0.995 316 E CA 0.593 56.966 56.400 -0.044 0.000 0.836 316 E CB 0.108 29.731 29.700 -0.129 0.000 0.763 316 E HN 0.448 nan 8.360 nan 0.000 0.491 317 Q N -0.790 118.978 119.800 -0.053 0.000 2.472 317 Q HA 0.029 4.370 4.340 0.001 0.000 0.208 317 Q C 1.246 177.299 176.000 0.089 0.000 0.958 317 Q CA 0.905 56.721 55.803 0.022 0.000 0.932 317 Q CB 0.891 29.752 28.738 0.205 0.000 1.007 317 Q HN 0.401 nan 8.270 nan 0.000 0.508 318 G N 1.596 110.457 108.800 0.102 0.000 2.134 318 G HA2 -0.235 3.726 3.960 0.001 0.000 0.209 318 G HA3 -0.235 3.726 3.960 0.001 0.000 0.209 318 G C 0.309 175.295 174.900 0.142 0.000 0.993 318 G CA 0.208 45.377 45.100 0.116 0.000 0.669 318 G HN 0.445 nan 8.290 nan 0.000 0.519 319 I N -2.460 118.193 120.570 0.138 0.000 2.938 319 I HA 0.463 4.634 4.170 0.001 0.000 0.285 319 I C 0.559 176.702 176.117 0.044 0.000 1.182 319 I CA -0.132 61.215 61.300 0.079 0.000 1.388 319 I CB 0.611 38.620 38.000 0.016 0.000 1.390 319 I HN -0.080 nan 8.210 nan 0.000 0.600 320 D N 3.035 123.454 120.400 0.031 0.000 2.369 320 D HA 0.312 4.953 4.640 0.001 0.000 0.211 320 D C 0.595 176.994 176.300 0.165 0.000 1.077 320 D CA 0.439 54.469 54.000 0.049 0.000 0.842 320 D CB 1.088 41.829 40.800 -0.100 0.000 0.947 320 D HN 0.901 nan 8.370 nan 0.000 0.509 321 G N 0.215 109.022 108.800 0.010 0.000 2.320 321 G HA2 0.296 4.257 3.960 0.001 0.000 0.297 321 G HA3 0.296 4.257 3.960 0.001 0.000 0.297 321 G C -2.237 172.563 174.900 -0.166 0.000 1.344 321 G CA -1.109 44.030 45.100 0.066 0.000 0.851 321 G HN 0.022 nan 8.290 nan 0.000 0.567 322 W N -0.407 121.018 121.300 0.209 0.000 2.844 322 W HA 0.804 5.465 4.660 0.001 0.000 0.340 322 W C 0.001 176.472 176.519 -0.081 0.000 1.093 322 W CA -0.962 56.460 57.345 0.128 0.000 1.212 322 W CB 2.046 31.636 29.460 0.217 0.000 1.422 322 W HN 0.385 nan 8.180 nan 0.000 0.515 323 R N 3.272 123.849 120.500 0.129 0.000 2.310 323 R HA 0.435 4.776 4.340 0.001 0.000 0.316 323 R C -0.887 175.286 176.300 -0.212 0.000 1.004 323 R CA -0.706 55.269 56.100 -0.209 0.000 0.900 323 R CB 0.183 30.349 30.300 -0.222 0.000 1.152 323 R HN 0.667 nan 8.270 nan 0.000 0.513 324 L N 2.130 123.090 121.223 -0.438 0.000 2.426 324 L HA 0.285 4.626 4.340 0.001 0.000 0.271 324 L C 0.728 177.361 176.870 -0.395 0.000 1.169 324 L CA 0.230 54.765 54.840 -0.508 0.000 0.836 324 L CB 0.518 42.036 42.059 -0.901 0.000 1.112 324 L HN 0.274 nan 8.230 nan 0.000 0.465 325 D N 1.217 121.463 120.400 -0.257 0.000 2.278 325 D HA 0.255 4.896 4.640 0.001 0.000 0.245 325 D C 0.115 176.357 176.300 -0.097 0.000 1.052 325 D CA -0.334 53.588 54.000 -0.130 0.000 0.834 325 D CB 2.348 43.155 40.800 0.011 0.000 1.194 325 D HN 0.373 nan 8.370 nan 0.000 0.481 326 V N 2.637 122.504 119.914 -0.077 0.000 5.175 326 V HA -0.329 3.792 4.120 0.001 0.000 0.279 326 V C 1.660 177.743 176.094 -0.019 0.000 0.571 326 V CA 1.080 63.390 62.300 0.015 0.000 0.694 326 V CB -2.284 29.684 31.823 0.242 0.000 0.525 326 V HN 0.736 nan 8.190 nan 0.000 1.093 327 A N 1.562 124.268 122.820 -0.190 0.000 1.972 327 A HA -0.175 4.145 4.320 0.001 0.000 0.219 327 A C 1.902 179.495 177.584 0.017 0.000 1.169 327 A CA 1.781 53.744 52.037 -0.124 0.000 0.635 327 A CB -0.421 18.152 19.000 -0.711 0.000 0.810 327 A HN 1.060 nan 8.150 nan 0.000 0.446 328 N N 0.325 118.865 118.700 -0.266 0.000 2.609 328 N HA -0.107 4.634 4.740 0.001 0.000 0.190 328 N C 0.677 176.301 175.510 0.189 0.000 1.157 328 N CA 1.138 54.077 53.050 -0.185 0.000 0.918 328 N CB -0.421 37.840 38.487 -0.376 0.000 0.978 328 N HN 0.688 nan 8.380 nan 0.000 0.448 329 E N -0.366 119.932 120.200 0.164 0.000 2.498 329 E HA 0.174 4.525 4.350 0.001 0.000 0.203 329 E C -0.444 176.225 176.600 0.116 0.000 1.013 329 E CA -0.152 56.336 56.400 0.147 0.000 0.927 329 E CB 1.053 30.827 29.700 0.122 0.000 1.012 329 E HN 0.074 nan 8.360 nan 0.000 0.482 330 V N 3.383 123.396 119.914 0.165 0.000 2.532 330 V HA 0.041 4.162 4.120 0.001 0.000 0.295 330 V C 0.231 176.330 176.094 0.008 0.000 1.041 330 V CA -0.953 61.314 62.300 -0.055 0.000 0.926 330 V CB 1.609 33.238 31.823 -0.323 0.000 0.992 330 V HN 0.201 nan 8.190 nan 0.000 0.457 331 D N 2.140 122.480 120.400 -0.099 0.000 2.382 331 D HA -0.019 4.622 4.640 0.001 0.000 0.240 331 D C 0.646 176.982 176.300 0.060 0.000 1.146 331 D CA -0.075 53.938 54.000 0.021 0.000 0.897 331 D CB 0.962 41.791 40.800 0.049 0.000 1.197 331 D HN 0.605 nan 8.370 nan 0.000 0.432 332 H N 1.002 120.211 119.070 0.232 0.000 2.387 332 H HA -0.038 4.519 4.556 0.001 0.000 0.299 332 H C 2.104 177.565 175.328 0.223 0.000 1.090 332 H CA 2.175 58.385 56.048 0.270 0.000 1.332 332 H CB -0.067 29.744 29.762 0.080 0.000 1.386 332 H HN 0.641 nan 8.280 nan 0.000 0.516 333 A N 0.573 123.544 122.820 0.251 0.000 1.908 333 A HA -0.213 4.108 4.320 0.001 0.000 0.218 333 A C 2.135 179.837 177.584 0.198 0.000 1.181 333 A CA 1.526 53.672 52.037 0.181 0.000 0.627 333 A CB -1.004 18.064 19.000 0.113 0.000 0.818 333 A HN 0.469 nan 8.150 nan 0.000 0.445 334 F N -0.723 119.205 119.950 -0.037 0.000 2.095 334 F HA -0.226 4.302 4.527 0.001 0.000 0.298 334 F C 2.070 177.930 175.800 0.100 0.000 1.104 334 F CA 1.950 59.877 58.000 -0.122 0.000 1.232 334 F CB -0.502 38.186 39.000 -0.521 0.000 0.987 334 F HN 0.432 nan 8.300 nan 0.000 0.475 335 W N 0.456 122.103 121.300 0.578 0.000 2.358 335 W HA -0.113 4.548 4.660 0.001 0.000 0.303 335 W C 2.647 179.380 176.519 0.358 0.000 1.208 335 W CA 0.791 58.456 57.345 0.534 0.000 1.274 335 W CB -0.437 29.323 29.460 0.500 0.000 1.138 335 W HN -0.169 nan 8.180 nan 0.000 0.515 336 R N 0.612 121.376 120.500 0.439 0.000 2.083 336 R HA -0.167 4.174 4.340 0.001 0.000 0.237 336 R C 1.838 178.255 176.300 0.196 0.000 1.137 336 R CA 1.820 58.074 56.100 0.257 0.000 0.951 336 R CB -0.604 29.795 30.300 0.165 0.000 0.851 336 R HN 0.334 nan 8.270 nan 0.000 0.434 337 E N -0.213 120.100 120.200 0.189 0.000 2.150 337 E HA -0.175 4.176 4.350 0.001 0.000 0.193 337 E C 1.651 178.216 176.600 -0.058 0.000 0.985 337 E CA 0.776 57.245 56.400 0.114 0.000 0.814 337 E CB -0.133 29.704 29.700 0.228 0.000 0.752 337 E HN 0.198 nan 8.360 nan 0.000 0.466 338 F N 1.939 121.806 119.950 -0.139 0.000 2.102 338 F HA -0.155 4.373 4.527 0.001 0.000 0.298 338 F C 2.373 178.105 175.800 -0.114 0.000 1.105 338 F CA 1.554 59.350 58.000 -0.340 0.000 1.239 338 F CB -0.045 39.032 39.000 0.128 0.000 0.991 338 F HN -0.216 nan 8.300 nan 0.000 0.474 339 R N 0.347 120.900 120.500 0.088 0.000 2.081 339 R HA -0.198 4.143 4.340 0.001 0.000 0.235 339 R C 2.597 178.846 176.300 -0.086 0.000 1.131 339 R CA 1.660 57.768 56.100 0.014 0.000 0.960 339 R CB -0.438 29.957 30.300 0.158 0.000 0.856 339 R HN 0.302 nan 8.270 nan 0.000 0.436 340 R N 0.642 121.101 120.500 -0.068 0.000 2.083 340 R HA -0.160 4.181 4.340 0.001 0.000 0.237 340 R C 2.398 178.611 176.300 -0.144 0.000 1.137 340 R CA 1.741 57.797 56.100 -0.073 0.000 0.951 340 R CB -0.461 29.814 30.300 -0.042 0.000 0.851 340 R HN 0.366 nan 8.270 nan 0.000 0.434 341 L N 0.469 121.523 121.223 -0.281 0.000 1.961 341 L HA -0.186 4.155 4.340 0.001 0.000 0.210 341 L C 2.267 178.979 176.870 -0.263 0.000 1.072 341 L CA 1.566 56.210 54.840 -0.328 0.000 0.749 341 L CB -0.411 41.276 42.059 -0.619 0.000 0.889 341 L HN 0.116 nan 8.230 nan 0.000 0.432 342 V N 0.465 120.144 119.914 -0.393 0.000 2.231 342 V HA -0.364 3.757 4.120 0.001 0.000 0.250 342 V C 2.687 178.745 176.094 -0.060 0.000 1.058 342 V CA 2.149 64.311 62.300 -0.229 0.000 1.022 342 V CB -0.793 30.823 31.823 -0.346 0.000 0.640 342 V HN 0.469 nan 8.190 nan 0.000 0.445 343 K N 0.773 121.142 120.400 -0.052 0.000 2.209 343 K HA -0.111 4.210 4.320 0.001 0.000 0.204 343 K C 2.392 178.998 176.600 0.010 0.000 1.048 343 K CA 1.689 57.983 56.287 0.011 0.000 0.940 343 K CB -0.775 31.740 32.500 0.024 0.000 0.729 343 K HN 0.720 nan 8.250 nan 0.000 0.451 344 S N 0.415 116.104 115.700 -0.019 0.000 2.428 344 S HA -0.045 4.426 4.470 0.001 0.000 0.230 344 S C 1.956 176.559 174.600 0.005 0.000 1.014 344 S CA 0.464 58.660 58.200 -0.007 0.000 0.957 344 S CB -0.147 63.039 63.200 -0.022 0.000 0.784 344 S HN 0.023 nan 8.310 nan 0.000 0.499 345 L N 1.737 122.963 121.223 0.005 0.000 2.131 345 L HA 0.364 4.705 4.340 0.001 0.000 0.206 345 L C 0.980 177.878 176.870 0.047 0.000 1.087 345 L CA 1.088 55.944 54.840 0.028 0.000 0.767 345 L CB -0.861 41.224 42.059 0.043 0.000 0.917 345 L HN 0.576 nan 8.230 nan 0.000 0.441 346 N N -1.448 117.287 118.700 0.059 0.000 2.699 346 N HA 0.144 4.884 4.740 0.001 0.000 0.271 346 N C -2.347 173.220 175.510 0.094 0.000 1.216 346 N CA -0.910 52.187 53.050 0.078 0.000 0.844 346 N CB 1.759 40.305 38.487 0.098 0.000 1.462 346 N HN -0.241 nan 8.380 nan 0.000 0.555 347 P HA -0.072 nan 4.420 nan 0.000 0.221 347 P C -0.046 177.335 177.300 0.134 0.000 1.145 347 P CA 1.020 64.175 63.100 0.092 0.000 0.795 347 P CB 0.241 31.986 31.700 0.075 0.000 0.775 348 D N -1.291 119.217 120.400 0.181 0.000 2.339 348 D HA 0.133 4.774 4.640 0.001 0.000 0.217 348 D C 0.696 177.256 176.300 0.434 0.000 1.050 348 D CA 0.099 54.294 54.000 0.325 0.000 0.856 348 D CB -0.101 40.916 40.800 0.360 0.000 0.922 348 D HN 0.069 nan 8.370 nan 0.000 0.518 349 A N 0.981 123.970 122.820 0.281 0.000 2.450 349 A HA 0.318 4.639 4.320 0.001 0.000 0.255 349 A C -0.090 177.670 177.584 0.294 0.000 1.096 349 A CA -0.289 51.926 52.037 0.297 0.000 0.778 349 A CB 0.315 19.453 19.000 0.230 0.000 1.031 349 A HN 0.180 nan 8.150 nan 0.000 0.494 350 L N 3.658 125.091 121.223 0.349 0.000 2.325 350 L HA 0.521 4.861 4.340 0.001 0.000 0.279 350 L C -0.628 176.389 176.870 0.243 0.000 1.054 350 L CA -0.223 54.759 54.840 0.236 0.000 0.804 350 L CB 1.074 43.266 42.059 0.220 0.000 1.200 350 L HN 0.549 nan 8.230 nan 0.000 0.436 351 I N 6.402 127.068 120.570 0.161 0.000 2.390 351 I HA 0.333 4.504 4.170 0.001 0.000 0.283 351 I C -0.692 175.337 176.117 -0.147 0.000 1.016 351 I CA -0.439 60.937 61.300 0.128 0.000 1.151 351 I CB 1.334 39.473 38.000 0.231 0.000 1.293 351 I HN 0.221 nan 8.210 nan 0.000 0.458 352 V N 5.376 125.071 119.914 -0.366 0.000 2.448 352 V HA 0.744 4.865 4.120 0.001 0.000 0.295 352 V C 0.663 176.229 176.094 -0.881 0.000 1.025 352 V CA -0.525 61.367 62.300 -0.680 0.000 0.859 352 V CB 1.828 32.991 31.823 -1.100 0.000 0.988 352 V HN 0.852 nan 8.190 nan 0.000 0.431 353 G N 2.635 110.849 108.800 -0.977 0.000 2.461 353 G HA2 0.654 4.615 3.960 0.001 0.000 0.329 353 G HA3 0.654 4.615 3.960 0.001 0.000 0.329 353 G C -0.914 173.528 174.900 -0.764 0.000 1.170 353 G CA -0.409 44.023 45.100 -1.113 0.000 0.935 353 G HN 0.710 nan 8.290 nan 0.000 0.492 354 E N 0.193 119.949 120.200 -0.741 0.000 2.235 354 E HA 0.506 4.857 4.350 0.001 0.000 0.252 354 E C -1.166 174.886 176.600 -0.914 0.000 0.886 354 E CA -0.478 55.461 56.400 -0.768 0.000 0.767 354 E CB 0.876 30.187 29.700 -0.647 0.000 1.205 354 E HN 0.339 nan 8.360 nan 0.000 0.421 355 I N 3.964 123.980 120.570 -0.923 0.000 2.534 355 I HA 0.257 4.428 4.170 0.001 0.000 0.288 355 I C -0.547 175.140 176.117 -0.716 0.000 1.077 355 I CA -0.729 60.058 61.300 -0.854 0.000 1.051 355 I CB 1.576 39.116 38.000 -0.766 0.000 1.234 355 I HN 0.663 nan 8.210 nan 0.000 0.425 356 W N 5.425 126.545 121.300 -0.301 0.000 3.221 356 W HA 0.215 4.876 4.660 0.001 0.000 0.436 356 W C 0.415 176.783 176.519 -0.252 0.000 0.913 356 W CA -0.423 56.602 57.345 -0.533 0.000 2.004 356 W CB -0.251 28.993 29.460 -0.360 0.000 1.007 356 W HN 0.616 nan 8.180 nan 0.000 0.838 357 H N -4.415 114.742 119.070 0.145 0.000 2.887 357 H HA 0.149 4.706 4.556 0.001 0.000 0.290 357 H C -0.772 174.803 175.328 0.410 0.000 1.429 357 H CA -1.396 54.843 56.048 0.319 0.000 1.137 357 H CB 0.222 30.122 29.762 0.231 0.000 1.824 357 H HN -0.285 nan 8.280 nan 0.000 0.520 358 D N 0.109 120.807 120.400 0.497 0.000 2.570 358 D HA 0.043 4.684 4.640 0.001 0.000 0.243 358 D C 0.447 177.022 176.300 0.459 0.000 1.171 358 D CA 0.971 55.248 54.000 0.461 0.000 0.879 358 D CB 0.577 41.603 40.800 0.376 0.000 1.143 358 D HN 0.716 nan 8.370 nan 0.000 0.511 359 A N 3.146 126.252 122.820 0.476 0.000 2.460 359 A HA 0.053 4.374 4.320 0.001 0.000 0.258 359 A C 1.926 179.692 177.584 0.303 0.000 1.300 359 A CA 0.414 52.690 52.037 0.398 0.000 0.913 359 A CB -0.198 18.837 19.000 0.057 0.000 1.031 359 A HN 0.570 nan 8.150 nan 0.000 0.512 360 S N -0.317 115.633 115.700 0.417 0.000 2.387 360 S HA -0.157 4.314 4.470 0.001 0.000 0.230 360 S C 1.933 176.563 174.600 0.049 0.000 1.035 360 S CA 1.660 60.039 58.200 0.299 0.000 1.014 360 S CB -1.028 62.389 63.200 0.362 0.000 0.836 360 S HN 0.743 nan 8.310 nan 0.000 0.466 361 G N -0.437 108.319 108.800 -0.075 0.000 2.498 361 G HA2 -0.102 3.859 3.960 0.001 0.000 0.219 361 G HA3 -0.102 3.859 3.960 0.001 0.000 0.219 361 G C 0.995 175.584 174.900 -0.517 0.000 1.119 361 G CA 0.527 45.385 45.100 -0.404 0.000 0.766 361 G HN 0.649 nan 8.290 nan 0.000 0.552 362 W N -0.520 120.673 121.300 -0.178 0.000 3.008 362 W HA 0.428 5.089 4.660 0.001 0.000 0.355 362 W C 0.591 176.837 176.519 -0.456 0.000 1.095 362 W CA -0.285 56.781 57.345 -0.465 0.000 1.738 362 W CB 0.329 29.293 29.460 -0.828 0.000 1.091 362 W HN 0.045 nan 8.180 nan 0.000 0.574 363 L N 0.902 122.051 121.223 -0.125 0.000 3.141 363 L HA 0.177 4.518 4.340 0.001 0.000 0.263 363 L C 1.434 178.188 176.870 -0.195 0.000 1.312 363 L CA -0.170 54.593 54.840 -0.128 0.000 1.012 363 L CB -0.018 41.919 42.059 -0.203 0.000 1.408 363 L HN -0.210 nan 8.230 nan 0.000 0.559 364 M N -0.569 118.817 119.600 -0.357 0.000 2.510 364 M HA 0.282 4.763 4.480 0.001 0.000 0.256 364 M C 1.577 177.447 176.300 -0.717 0.000 1.132 364 M CA 0.885 55.973 55.300 -0.354 0.000 1.105 364 M CB 0.197 32.674 32.600 -0.204 0.000 1.375 364 M HN 0.460 nan 8.290 nan 0.000 0.477 365 G N 1.160 109.231 108.800 -1.214 0.000 2.336 365 G HA2 -0.204 3.757 3.960 0.001 0.000 0.194 365 G HA3 -0.204 3.757 3.960 0.001 0.000 0.194 365 G C 0.370 174.978 174.900 -0.487 0.000 0.999 365 G CA 0.356 44.668 45.100 -1.314 0.000 0.669 365 G HN 0.494 nan 8.290 nan 0.000 0.482 366 D N 0.101 120.317 120.400 -0.307 0.000 2.349 366 D HA 0.257 4.897 4.640 0.001 0.000 0.214 366 D C 1.537 177.823 176.300 -0.022 0.000 1.063 366 D CA 0.957 54.891 54.000 -0.111 0.000 0.847 366 D CB 0.134 40.894 40.800 -0.067 0.000 0.933 366 D HN 0.555 nan 8.370 nan 0.000 0.513 367 Q N -0.730 119.027 119.800 -0.071 0.000 1.981 367 Q HA 0.330 4.671 4.340 0.001 0.000 0.157 367 Q C -0.014 176.120 176.000 0.224 0.000 0.503 367 Q CA -0.381 55.456 55.803 0.057 0.000 0.695 367 Q CB 0.576 29.234 28.738 -0.133 0.000 1.038 367 Q HN 0.126 nan 8.270 nan 0.000 0.388 368 F N 1.358 121.331 119.950 0.037 0.000 2.378 368 F HA 0.200 4.728 4.527 0.001 0.000 0.325 368 F C 0.933 176.785 175.800 0.087 0.000 1.097 368 F CA -0.996 57.001 58.000 -0.005 0.000 1.079 368 F CB 0.791 39.707 39.000 -0.141 0.000 1.240 368 F HN 0.218 nan 8.300 nan 0.000 0.519 369 D N -0.144 120.431 120.400 0.293 0.000 2.216 369 D HA 0.009 4.650 4.640 0.001 0.000 0.208 369 D C 0.535 176.919 176.300 0.140 0.000 0.960 369 D CA 1.034 55.190 54.000 0.259 0.000 0.861 369 D CB 0.421 41.281 40.800 0.100 0.000 0.985 369 D HN 0.475 nan 8.370 nan 0.000 0.493 370 S N -1.156 114.554 115.700 0.017 0.000 2.683 370 S HA 0.556 5.027 4.470 0.001 0.000 0.269 370 S C -0.841 173.620 174.600 -0.232 0.000 1.165 370 S CA -0.689 57.451 58.200 -0.101 0.000 0.840 370 S CB 1.673 64.790 63.200 -0.137 0.000 1.169 370 S HN 0.006 nan 8.310 nan 0.000 0.490 371 V N -2.454 117.301 119.914 -0.265 0.000 3.165 371 V HA 0.711 4.831 4.120 0.001 0.000 0.309 371 V C -0.733 175.202 176.094 -0.266 0.000 1.267 371 V CA -1.435 60.660 62.300 -0.342 0.000 1.067 371 V CB 1.574 33.248 31.823 -0.250 0.000 1.082 371 V HN 0.946 nan 8.190 nan 0.000 0.451 372 M N 2.983 122.435 119.600 -0.247 0.000 2.219 372 M HA 0.302 4.783 4.480 0.001 0.000 0.353 372 M C 0.167 176.561 176.300 0.157 0.000 1.304 372 M CA 0.230 55.516 55.300 -0.023 0.000 1.115 372 M CB -0.538 32.050 32.600 -0.019 0.000 1.664 372 M HN 0.840 nan 8.290 nan 0.000 0.459 373 N N 3.613 122.433 118.700 0.200 0.000 3.124 373 N HA -0.004 4.737 4.740 0.001 0.000 0.284 373 N C 0.630 176.331 175.510 0.318 0.000 1.209 373 N CA -0.071 53.112 53.050 0.222 0.000 1.149 373 N CB -0.185 38.405 38.487 0.170 0.000 1.434 373 N HN 0.548 nan 8.380 nan 0.000 0.529 374 Y N 0.384 120.881 120.300 0.328 0.000 2.403 374 Y HA -0.074 4.477 4.550 0.001 0.000 0.291 374 Y C 1.343 177.418 175.900 0.291 0.000 1.143 374 Y CA 0.416 58.738 58.100 0.369 0.000 1.257 374 Y CB -0.050 38.723 38.460 0.523 0.000 0.984 374 Y HN 0.171 nan 8.280 nan 0.000 0.550 375 L N -0.006 120.959 121.223 -0.430 0.000 2.056 375 L HA -0.093 4.248 4.340 0.001 0.000 0.207 375 L C 2.347 179.227 176.870 0.016 0.000 1.078 375 L CA 1.352 56.000 54.840 -0.320 0.000 0.749 375 L CB -1.489 40.360 42.059 -0.351 0.000 0.901 375 L HN 0.450 nan 8.230 nan 0.000 0.433 376 F N 0.494 120.442 119.950 -0.002 0.000 2.134 376 F HA -0.236 4.292 4.527 0.001 0.000 0.299 376 F C 2.765 178.656 175.800 0.152 0.000 1.097 376 F CA 1.840 59.895 58.000 0.092 0.000 1.264 376 F CB -0.269 38.815 39.000 0.141 0.000 1.001 376 F HN 0.035 nan 8.300 nan 0.000 0.479 377 R N 0.492 121.232 120.500 0.400 0.000 2.066 377 R HA -0.156 4.185 4.340 0.001 0.000 0.232 377 R C 2.198 178.601 176.300 0.173 0.000 1.131 377 R CA 1.992 58.271 56.100 0.299 0.000 0.955 377 R CB -0.476 30.034 30.300 0.350 0.000 0.851 377 R HN 0.408 nan 8.270 nan 0.000 0.432 378 E N -0.149 120.141 120.200 0.151 0.000 2.110 378 E HA -0.147 4.204 4.350 0.001 0.000 0.193 378 E C 2.002 178.648 176.600 0.076 0.000 0.988 378 E CA 1.646 58.112 56.400 0.110 0.000 0.804 378 E CB 0.054 29.815 29.700 0.102 0.000 0.745 378 E HN 0.325 nan 8.360 nan 0.000 0.458 379 S N 0.205 115.927 115.700 0.037 0.000 2.387 379 S HA -0.086 4.384 4.470 0.001 0.000 0.226 379 S C 2.125 176.823 174.600 0.164 0.000 1.026 379 S CA 0.608 58.845 58.200 0.061 0.000 0.972 379 S CB 0.073 63.236 63.200 -0.062 0.000 0.814 379 S HN 0.054 nan 8.310 nan 0.000 0.477 380 V N 2.084 122.055 119.914 0.095 0.000 2.548 380 V HA -0.074 4.047 4.120 0.001 0.000 0.249 380 V C 2.119 178.444 176.094 0.384 0.000 1.055 380 V CA 0.973 63.411 62.300 0.231 0.000 1.065 380 V CB -0.509 31.293 31.823 -0.035 0.000 0.681 380 V HN 0.408 nan 8.190 nan 0.000 0.462 381 I N 0.346 121.103 120.570 0.311 0.000 2.113 381 I HA -0.196 3.974 4.170 0.001 0.000 0.238 381 I C 2.614 178.789 176.117 0.097 0.000 1.070 381 I CA 1.791 63.243 61.300 0.252 0.000 1.332 381 I CB -0.974 37.125 38.000 0.165 0.000 1.044 381 I HN 0.275 nan 8.210 nan 0.000 0.402 382 R N -0.758 119.781 120.500 0.066 0.000 2.189 382 R HA -0.165 4.176 4.340 0.001 0.000 0.223 382 R C 2.057 178.351 176.300 -0.010 0.000 1.092 382 R CA 1.073 57.181 56.100 0.012 0.000 0.989 382 R CB -0.212 30.094 30.300 0.009 0.000 0.876 382 R HN 0.239 nan 8.270 nan 0.000 0.457 383 F N -0.435 119.346 119.950 -0.282 0.000 2.148 383 F HA 0.093 4.620 4.527 0.002 0.000 0.285 383 F C 1.397 176.869 175.800 -0.547 0.000 1.092 383 F CA 0.871 58.506 58.000 -0.609 0.000 1.218 383 F CB -0.321 37.862 39.000 -1.361 0.000 1.059 383 F HN -0.198 nan 8.300 nan 0.000 0.490 384 F N 0.018 119.753 119.950 -0.358 0.000 2.270 384 F HA 0.152 4.680 4.527 0.001 0.000 0.295 384 F C 2.387 178.058 175.800 -0.216 0.000 1.087 384 F CA 0.918 58.711 58.000 -0.344 0.000 1.365 384 F CB -0.964 37.980 39.000 -0.093 0.000 1.056 384 F HN 0.073 nan 8.300 nan 0.000 0.506 385 A N 0.083 122.916 122.820 0.022 0.000 1.862 385 A HA -0.068 4.253 4.320 0.001 0.000 0.211 385 A C 2.178 179.672 177.584 -0.151 0.000 1.220 385 A CA 1.768 53.700 52.037 -0.176 0.000 0.616 385 A CB -1.252 17.516 19.000 -0.386 0.000 0.878 385 A HN 0.319 nan 8.150 nan 0.000 0.453 386 T N -4.420 110.067 114.554 -0.111 0.000 3.051 386 T HA 0.382 4.733 4.350 0.001 0.000 0.255 386 T C 1.435 176.083 174.700 -0.087 0.000 1.085 386 T CA 1.209 63.252 62.100 -0.094 0.000 1.109 386 T CB 0.031 68.856 68.868 -0.071 0.000 0.921 386 T HN 1.777 nan 8.240 nan 0.000 0.488 387 G N 1.610 110.347 108.800 -0.105 0.000 2.153 387 G HA2 -0.289 3.672 3.960 0.001 0.000 0.252 387 G HA3 -0.289 3.672 3.960 0.001 0.000 0.252 387 G C 0.502 175.364 174.900 -0.062 0.000 0.994 387 G CA 0.486 45.525 45.100 -0.102 0.000 0.698 387 G HN 0.598 nan 8.290 nan 0.000 0.521 388 E N -0.582 119.584 120.200 -0.056 0.000 2.347 388 E HA 0.159 4.509 4.350 0.001 0.000 0.196 388 E C 1.556 178.114 176.600 -0.069 0.000 1.008 388 E CA 1.060 57.428 56.400 -0.053 0.000 0.852 388 E CB 0.098 29.769 29.700 -0.047 0.000 0.783 388 E HN 0.915 nan 8.360 nan 0.000 0.505 389 I N -2.279 118.259 120.570 -0.053 0.000 2.934 389 I HA 0.388 4.559 4.170 0.001 0.000 0.306 389 I C 0.017 176.150 176.117 0.027 0.000 1.110 389 I CA -1.183 60.055 61.300 -0.104 0.000 1.019 389 I CB 1.882 39.821 38.000 -0.103 0.000 1.227 389 I HN -0.134 nan 8.210 nan 0.000 0.434 390 H N 2.591 121.685 119.070 0.040 0.000 2.585 390 H HA 0.624 5.180 4.556 0.001 0.000 0.338 390 H C 0.883 176.215 175.328 0.007 0.000 1.295 390 H CA -0.506 55.595 56.048 0.087 0.000 1.356 390 H CB 1.616 31.397 29.762 0.032 0.000 1.736 390 H HN 0.771 nan 8.280 nan 0.000 0.629 391 A N 0.524 123.510 122.820 0.277 0.000 1.917 391 A HA -0.230 4.091 4.320 0.001 0.000 0.219 391 A C 2.093 179.632 177.584 -0.076 0.000 1.182 391 A CA 2.014 54.032 52.037 -0.031 0.000 0.633 391 A CB -0.880 18.199 19.000 0.132 0.000 0.819 391 A HN 0.874 nan 8.150 nan 0.000 0.448 392 E N -1.225 119.008 120.200 0.055 0.000 2.072 392 E HA -0.198 4.153 4.350 0.001 0.000 0.191 392 E C 2.324 178.956 176.600 0.054 0.000 0.985 392 E CA 1.187 57.603 56.400 0.027 0.000 0.801 392 E CB -0.139 29.538 29.700 -0.038 0.000 0.750 392 E HN 0.509 nan 8.360 nan 0.000 0.452 393 R N 1.084 121.696 120.500 0.187 0.000 2.073 393 R HA -0.142 4.199 4.340 0.001 0.000 0.234 393 R C 1.961 178.168 176.300 -0.156 0.000 1.134 393 R CA 1.358 57.426 56.100 -0.054 0.000 0.952 393 R CB -1.024 29.145 30.300 -0.217 0.000 0.850 393 R HN 0.203 nan 8.270 nan 0.000 0.433 394 F N 1.008 120.678 119.950 -0.466 0.000 2.087 394 F HA -0.318 4.210 4.527 0.001 0.000 0.299 394 F C 1.996 177.361 175.800 -0.725 0.000 1.100 394 F CA 2.146 59.683 58.000 -0.772 0.000 1.226 394 F CB -0.369 37.711 39.000 -1.534 0.000 0.983 394 F HN 0.224 nan 8.300 nan 0.000 0.479 395 D N 0.398 120.367 120.400 -0.719 0.000 2.123 395 D HA -0.194 4.447 4.640 0.001 0.000 0.196 395 D C 2.202 178.281 176.300 -0.368 0.000 0.992 395 D CA 1.479 55.073 54.000 -0.678 0.000 0.833 395 D CB -0.407 40.192 40.800 -0.336 0.000 0.954 395 D HN 0.371 nan 8.370 nan 0.000 0.455 396 A N 0.681 123.362 122.820 -0.232 0.000 1.858 396 A HA -0.186 4.135 4.320 0.001 0.000 0.216 396 A C 2.184 179.680 177.584 -0.146 0.000 1.190 396 A CA 1.771 53.736 52.037 -0.119 0.000 0.617 396 A CB -0.743 18.221 19.000 -0.061 0.000 0.827 396 A HN 0.322 nan 8.150 nan 0.000 0.443 397 E N -0.718 119.361 120.200 -0.201 0.000 2.070 397 E HA -0.221 4.130 4.350 0.001 0.000 0.197 397 E C 1.919 178.379 176.600 -0.233 0.000 1.004 397 E CA 1.278 57.566 56.400 -0.188 0.000 0.805 397 E CB -0.293 29.293 29.700 -0.191 0.000 0.744 397 E HN 0.398 nan 8.360 nan 0.000 0.451 398 L N 0.671 121.658 121.223 -0.392 0.000 2.012 398 L HA -0.183 4.157 4.340 0.001 0.000 0.210 398 L C 2.429 179.203 176.870 -0.160 0.000 1.073 398 L CA 1.864 56.492 54.840 -0.352 0.000 0.748 398 L CB -0.914 40.764 42.059 -0.635 0.000 0.891 398 L HN 0.120 nan 8.230 nan 0.000 0.431 399 T N -1.270 113.184 114.554 -0.166 0.000 2.777 399 T HA -0.202 4.149 4.350 0.001 0.000 0.266 399 T C 2.032 176.610 174.700 -0.204 0.000 1.040 399 T CA 1.290 63.309 62.100 -0.135 0.000 1.141 399 T CB -0.166 68.658 68.868 -0.073 0.000 0.868 399 T HN 0.257 nan 8.240 nan 0.000 0.444 400 R N 1.041 121.465 120.500 -0.128 0.000 2.083 400 R HA -0.082 4.259 4.340 0.001 0.000 0.237 400 R C 2.605 178.804 176.300 -0.168 0.000 1.137 400 R CA 1.576 57.618 56.100 -0.098 0.000 0.951 400 R CB -0.515 29.786 30.300 0.002 0.000 0.851 400 R HN 0.368 nan 8.270 nan 0.000 0.434 401 A N 1.289 124.021 122.820 -0.146 0.000 1.877 401 A HA -0.183 4.138 4.320 0.001 0.000 0.216 401 A C 2.249 179.715 177.584 -0.197 0.000 1.186 401 A CA 1.388 53.331 52.037 -0.158 0.000 0.620 401 A CB -0.683 18.263 19.000 -0.090 0.000 0.822 401 A HN 0.359 nan 8.150 nan 0.000 0.443 402 R N -1.106 119.302 120.500 -0.154 0.000 2.117 402 R HA -0.122 4.219 4.340 0.001 0.000 0.243 402 R C 1.131 177.281 176.300 -0.250 0.000 1.143 402 R CA 1.639 57.646 56.100 -0.155 0.000 0.968 402 R CB -0.225 30.002 30.300 -0.121 0.000 0.863 402 R HN 0.422 nan 8.270 nan 0.000 0.444 403 M N 0.471 119.848 119.600 -0.373 0.000 2.568 403 M HA -0.016 4.465 4.480 0.001 0.000 0.226 403 M C 1.348 177.435 176.300 -0.355 0.000 1.148 403 M CA 0.205 55.241 55.300 -0.440 0.000 1.007 403 M CB -0.196 31.901 32.600 -0.839 0.000 1.651 403 M HN 0.070 nan 8.290 nan 0.000 0.488 404 L N -0.841 120.124 121.223 -0.431 0.000 2.072 404 L HA 0.000 4.341 4.340 0.001 0.000 0.205 404 L C 0.430 176.919 176.870 -0.635 0.000 1.079 404 L CA 1.537 55.994 54.840 -0.638 0.000 0.752 404 L CB -0.393 41.017 42.059 -1.080 0.000 0.906 404 L HN 0.194 nan 8.230 nan 0.000 0.436 405 Y N -2.575 117.694 120.300 -0.052 0.000 2.693 405 Y HA 0.497 5.048 4.550 0.001 0.000 0.331 405 Y C -2.093 173.718 175.900 -0.148 0.000 1.092 405 Y CA -2.983 55.083 58.100 -0.058 0.000 1.131 405 Y CB -0.149 38.305 38.460 -0.010 0.000 1.318 405 Y HN -0.272 nan 8.280 nan 0.000 0.510 406 P HA 0.019 nan 4.420 nan 0.000 0.272 406 P C 0.350 177.477 177.300 -0.288 0.000 1.230 406 P CA -0.049 62.694 63.100 -0.594 0.000 0.788 406 P CB 0.594 31.729 31.700 -0.941 0.000 0.949 407 E N 1.210 121.290 120.200 -0.199 0.000 2.209 407 E HA -0.286 4.065 4.350 0.001 0.000 0.196 407 E C 0.979 177.456 176.600 -0.204 0.000 0.993 407 E CA 1.387 57.731 56.400 -0.093 0.000 0.819 407 E CB -0.460 29.260 29.700 0.033 0.000 0.745 407 E HN 0.405 nan 8.360 nan 0.000 0.477 408 Q N 0.902 120.490 119.800 -0.354 0.000 2.167 408 Q HA -0.012 4.328 4.340 0.001 0.000 0.202 408 Q C 2.118 177.728 176.000 -0.650 0.000 0.970 408 Q CA 1.864 57.323 55.803 -0.574 0.000 0.855 408 Q CB -0.133 28.053 28.738 -0.920 0.000 0.911 408 Q HN 0.474 nan 8.270 nan 0.000 0.438 409 A N 0.605 123.115 122.820 -0.516 0.000 1.855 409 A HA 0.086 4.407 4.320 0.001 0.000 0.213 409 A C 2.273 179.791 177.584 -0.111 0.000 1.195 409 A CA 1.191 53.085 52.037 -0.239 0.000 0.610 409 A CB -1.036 17.979 19.000 0.024 0.000 0.837 409 A HN 0.349 nan 8.150 nan 0.000 0.444 410 A N -0.989 121.808 122.820 -0.038 0.000 1.948 410 A HA -0.252 4.068 4.320 0.001 0.000 0.220 410 A C 2.149 179.679 177.584 -0.090 0.000 1.177 410 A CA 1.900 53.933 52.037 -0.006 0.000 0.636 410 A CB -0.532 18.458 19.000 -0.018 0.000 0.815 410 A HN 0.531 nan 8.150 nan 0.000 0.449 411 Q N -0.342 119.373 119.800 -0.142 0.000 2.291 411 Q HA -0.084 4.256 4.340 0.001 0.000 0.205 411 Q C 1.484 177.396 176.000 -0.146 0.000 0.970 411 Q CA 1.454 57.161 55.803 -0.161 0.000 0.876 411 Q CB -0.284 28.352 28.738 -0.170 0.000 0.935 411 Q HN 0.571 nan 8.270 nan 0.000 0.455 412 G N 0.082 108.805 108.800 -0.128 0.000 3.453 412 G HA2 0.213 4.173 3.960 0.001 0.000 0.263 412 G HA3 0.213 4.173 3.960 0.001 0.000 0.263 412 G C -0.178 174.745 174.900 0.039 0.000 1.060 412 G CA -0.389 44.667 45.100 -0.073 0.000 0.793 412 G HN 0.095 nan 8.290 nan 0.000 0.532 413 L N 1.087 122.316 121.223 0.010 0.000 2.499 413 L HA 0.279 4.620 4.340 0.001 0.000 0.273 413 L C -0.264 176.703 176.870 0.162 0.000 1.195 413 L CA -0.970 53.907 54.840 0.062 0.000 0.882 413 L CB 0.105 42.194 42.059 0.048 0.000 1.133 413 L HN 0.182 nan 8.230 nan 0.000 0.483 414 W N 4.171 125.389 121.300 -0.136 0.000 2.546 414 W HA 0.197 4.858 4.660 0.001 0.000 0.323 414 W C 0.203 176.607 176.519 -0.191 0.000 1.272 414 W CA -0.734 56.519 57.345 -0.154 0.000 1.404 414 W CB -0.521 28.859 29.460 -0.133 0.000 1.411 414 W HN 0.405 nan 8.180 nan 0.000 0.480 415 N N 5.332 123.908 118.700 -0.207 0.000 2.521 415 N HA 0.185 4.926 4.740 0.001 0.000 0.236 415 N C -0.238 175.015 175.510 -0.428 0.000 1.067 415 N CA -0.237 52.404 53.050 -0.682 0.000 0.939 415 N CB 0.323 37.892 38.487 -1.531 0.000 1.201 415 N HN 0.391 nan 8.380 nan 0.000 0.511 416 L N -1.130 120.086 121.223 -0.011 0.000 2.375 416 L HA 0.564 4.904 4.340 0.001 0.000 0.268 416 L C 0.374 177.434 176.870 0.316 0.000 1.058 416 L CA -0.776 54.158 54.840 0.157 0.000 0.803 416 L CB 1.186 43.378 42.059 0.223 0.000 1.212 416 L HN 0.213 nan 8.230 nan 0.000 0.451 417 L N -0.130 121.219 121.223 0.209 0.000 2.537 417 L HA 0.284 4.625 4.340 0.001 0.000 0.224 417 L C -0.382 176.630 176.870 0.238 0.000 1.065 417 L CA 0.191 55.110 54.840 0.132 0.000 0.860 417 L CB 0.105 42.068 42.059 -0.159 0.000 1.086 417 L HN 0.929 nan 8.230 nan 0.000 0.482 418 D N -2.011 118.492 120.400 0.172 0.000 2.865 418 D HA 0.457 5.098 4.640 0.001 0.000 0.343 418 D C -0.666 175.556 176.300 -0.130 0.000 1.372 418 D CA -0.235 53.803 54.000 0.063 0.000 0.862 418 D CB 1.107 41.962 40.800 0.092 0.000 1.425 418 D HN -0.072 nan 8.370 nan 0.000 0.501 419 S N -2.325 113.131 115.700 -0.407 0.000 2.703 419 S HA 0.320 4.790 4.470 0.001 0.000 0.273 419 S C 0.519 174.643 174.600 -0.794 0.000 1.178 419 S CA -0.407 57.444 58.200 -0.582 0.000 0.838 419 S CB 0.473 63.610 63.200 -0.105 0.000 1.178 419 S HN 0.866 nan 8.310 nan 0.000 0.494 420 H N 0.120 118.899 119.070 -0.485 0.000 2.545 420 H HA 0.166 4.723 4.556 0.001 0.000 0.282 420 H C -0.186 175.033 175.328 -0.182 0.000 1.020 420 H CA 1.160 57.057 56.048 -0.252 0.000 1.243 420 H CB -0.526 29.125 29.762 -0.185 0.000 1.377 420 H HN 0.577 nan 8.280 nan 0.000 0.581 421 D N 1.245 121.292 120.400 -0.588 0.000 2.402 421 D HA 0.078 4.719 4.640 0.001 0.000 0.216 421 D C 0.668 176.820 176.300 -0.247 0.000 1.128 421 D CA 0.459 54.226 54.000 -0.389 0.000 0.833 421 D CB 0.885 41.442 40.800 -0.406 0.000 0.971 421 D HN 0.568 nan 8.370 nan 0.000 0.503 422 T N -2.429 111.988 114.554 -0.230 0.000 2.838 422 T HA 0.452 4.803 4.350 0.001 0.000 0.292 422 T C -0.160 174.469 174.700 -0.119 0.000 1.113 422 T CA -0.976 61.033 62.100 -0.151 0.000 1.008 422 T CB 2.451 71.250 68.868 -0.115 0.000 1.259 422 T HN -0.003 nan 8.240 nan 0.000 0.520 423 E N 0.778 120.934 120.200 -0.073 0.000 2.392 423 E HA 0.307 4.658 4.350 0.001 0.000 0.259 423 E C -0.337 176.258 176.600 -0.008 0.000 1.108 423 E CA -0.905 55.467 56.400 -0.047 0.000 0.916 423 E CB 0.751 30.423 29.700 -0.048 0.000 0.989 423 E HN 0.488 nan 8.360 nan 0.000 0.432 424 R N 0.909 121.422 120.500 0.022 0.000 2.543 424 R HA 0.046 4.387 4.340 0.001 0.000 0.277 424 R C 0.611 177.008 176.300 0.162 0.000 1.074 424 R CA -0.255 55.913 56.100 0.113 0.000 1.076 424 R CB 0.245 30.603 30.300 0.096 0.000 0.993 424 R HN 0.632 nan 8.270 nan 0.000 0.459 425 F N 2.602 122.659 119.950 0.178 0.000 2.192 425 F HA -0.256 4.271 4.527 0.001 0.000 0.301 425 F C 1.826 177.802 175.800 0.292 0.000 1.079 425 F CA 1.512 59.652 58.000 0.233 0.000 1.303 425 F CB 0.004 39.174 39.000 0.284 0.000 1.024 425 F HN 0.504 nan 8.300 nan 0.000 0.494 426 L N -0.661 120.760 121.223 0.330 0.000 2.046 426 L HA -0.249 4.092 4.340 0.001 0.000 0.208 426 L C 2.197 179.020 176.870 -0.079 0.000 1.077 426 L CA 2.062 56.930 54.840 0.047 0.000 0.747 426 L CB -0.754 41.142 42.059 -0.273 0.000 0.896 426 L HN 0.136 nan 8.230 nan 0.000 0.432 427 T N -1.086 113.424 114.554 -0.074 0.000 2.867 427 T HA -0.122 4.229 4.350 0.001 0.000 0.268 427 T C 1.963 176.582 174.700 -0.135 0.000 1.057 427 T CA 1.376 63.419 62.100 -0.096 0.000 1.136 427 T CB -0.011 68.814 68.868 -0.071 0.000 0.874 427 T HN 0.338 nan 8.240 nan 0.000 0.466 428 S N 0.542 116.125 115.700 -0.195 0.000 2.423 428 S HA -0.074 4.397 4.470 0.001 0.000 0.231 428 S C 1.885 176.304 174.600 -0.301 0.000 1.014 428 S CA 0.598 58.639 58.200 -0.264 0.000 0.965 428 S CB -0.327 62.642 63.200 -0.385 0.000 0.785 428 S HN 0.577 nan 8.310 nan 0.000 0.495 429 C N 1.619 120.724 119.300 -0.326 0.000 2.578 429 C HA 0.441 4.902 4.460 0.001 0.000 0.285 429 C C 1.841 176.734 174.990 -0.161 0.000 1.297 429 C CA -0.523 58.346 59.018 -0.248 0.000 1.690 429 C CB -1.610 26.016 27.740 -0.190 0.000 1.773 429 C HN 0.697 nan 8.230 nan 0.000 0.594 430 G N 0.815 109.530 108.800 -0.142 0.000 2.283 430 G HA2 0.014 3.975 3.960 0.001 0.000 0.280 430 G HA3 0.014 3.975 3.960 0.001 0.000 0.280 430 G C 1.029 175.870 174.900 -0.099 0.000 1.029 430 G CA 0.608 45.643 45.100 -0.108 0.000 0.840 430 G HN 1.500 nan 8.290 nan 0.000 0.505 431 G N -1.113 107.623 108.800 -0.107 0.000 2.184 431 G HA2 -0.347 3.614 3.960 0.001 0.000 0.264 431 G HA3 -0.347 3.614 3.960 0.001 0.000 0.264 431 G C 0.368 175.207 174.900 -0.100 0.000 0.975 431 G CA 0.763 45.800 45.100 -0.105 0.000 0.642 431 G HN 1.448 nan 8.290 nan 0.000 0.536 432 N N 0.978 119.616 118.700 -0.103 0.000 2.405 432 N HA 0.185 4.926 4.740 0.001 0.000 0.260 432 N C 1.112 176.575 175.510 -0.077 0.000 1.152 432 N CA 0.457 53.440 53.050 -0.112 0.000 0.948 432 N CB 0.767 39.150 38.487 -0.173 0.000 1.111 432 N HN 0.570 nan 8.380 nan 0.000 0.485 433 E N 3.136 123.297 120.200 -0.064 0.000 2.208 433 E HA -0.089 4.262 4.350 0.001 0.000 0.193 433 E C 1.392 177.994 176.600 0.004 0.000 0.988 433 E CA 0.652 57.047 56.400 -0.008 0.000 0.828 433 E CB 0.169 29.844 29.700 -0.043 0.000 0.763 433 E HN 0.740 nan 8.360 nan 0.000 0.478 434 A N 1.286 124.052 122.820 -0.090 0.000 1.933 434 A HA -0.189 4.132 4.320 0.001 0.000 0.218 434 A C 1.964 179.420 177.584 -0.213 0.000 1.175 434 A CA 1.418 53.382 52.037 -0.121 0.000 0.628 434 A CB -0.204 18.742 19.000 -0.091 0.000 0.814 434 A HN 0.094 nan 8.150 nan 0.000 0.444 435 K N -1.657 118.535 120.400 -0.346 0.000 2.062 435 K HA -0.018 4.303 4.320 0.001 0.000 0.205 435 K C 1.779 178.388 176.600 0.016 0.000 1.051 435 K CA 1.301 57.427 56.287 -0.269 0.000 0.941 435 K CB -0.315 31.996 32.500 -0.315 0.000 0.719 435 K HN 0.471 nan 8.250 nan 0.000 0.440 436 F N 2.383 122.317 119.950 -0.028 0.000 2.095 436 F HA -0.213 4.315 4.527 0.001 0.000 0.298 436 F C 2.179 178.019 175.800 0.066 0.000 1.104 436 F CA 1.532 59.626 58.000 0.158 0.000 1.232 436 F CB 0.053 39.129 39.000 0.128 0.000 0.987 436 F HN -0.128 nan 8.300 nan 0.000 0.475 437 R N -0.283 120.281 120.500 0.107 0.000 2.096 437 R HA -0.156 4.185 4.340 0.001 0.000 0.235 437 R C 2.130 178.400 176.300 -0.050 0.000 1.127 437 R CA 1.440 57.507 56.100 -0.055 0.000 0.968 437 R CB -0.843 29.248 30.300 -0.348 0.000 0.861 437 R HN 0.324 nan 8.270 nan 0.000 0.440 438 L N 0.814 121.986 121.223 -0.085 0.000 2.083 438 L HA -0.110 4.231 4.340 0.001 0.000 0.209 438 L C 2.231 178.806 176.870 -0.492 0.000 1.083 438 L CA 1.826 56.613 54.840 -0.089 0.000 0.752 438 L CB -0.620 41.482 42.059 0.073 0.000 0.899 438 L HN 0.113 nan 8.230 nan 0.000 0.433 439 A N -1.442 120.889 122.820 -0.815 0.000 1.898 439 A HA -0.126 4.195 4.320 0.001 0.000 0.216 439 A C 2.235 179.489 177.584 -0.550 0.000 1.181 439 A CA 1.832 53.188 52.037 -1.135 0.000 0.620 439 A CB -0.959 17.554 19.000 -0.812 0.000 0.819 439 A HN 0.274 nan 8.150 nan 0.000 0.442 440 V N -0.125 119.506 119.914 -0.471 0.000 2.427 440 V HA -0.217 3.904 4.120 0.001 0.000 0.248 440 V C 2.457 178.427 176.094 -0.207 0.000 1.051 440 V CA 1.730 63.800 62.300 -0.384 0.000 1.048 440 V CB -0.742 30.783 31.823 -0.495 0.000 0.666 440 V HN 0.627 nan 8.190 nan 0.000 0.456 441 L N -0.849 120.346 121.223 -0.046 0.000 2.083 441 L HA -0.196 4.145 4.340 0.001 0.000 0.209 441 L C 2.278 179.223 176.870 0.124 0.000 1.083 441 L CA 1.919 56.776 54.840 0.028 0.000 0.752 441 L CB -0.287 41.892 42.059 0.200 0.000 0.899 441 L HN 0.385 nan 8.230 nan 0.000 0.433 442 F N 0.125 120.097 119.950 0.037 0.000 2.113 442 F HA -0.275 4.253 4.527 0.001 0.000 0.297 442 F C 2.672 178.631 175.800 0.265 0.000 1.103 442 F CA 1.933 60.081 58.000 0.247 0.000 1.248 442 F CB -0.224 38.937 39.000 0.267 0.000 0.999 442 F HN 0.142 nan 8.300 nan 0.000 0.475 443 Q N -0.116 119.715 119.800 0.051 0.000 2.112 443 Q HA -0.286 4.055 4.340 0.001 0.000 0.206 443 Q C 2.030 177.970 176.000 -0.100 0.000 0.987 443 Q CA 2.066 57.912 55.803 0.072 0.000 0.858 443 Q CB -0.233 28.563 28.738 0.096 0.000 0.905 443 Q HN 0.433 nan 8.270 nan 0.000 0.420 444 M N -0.075 119.452 119.600 -0.122 0.000 2.557 444 M HA -0.051 4.429 4.480 0.001 0.000 0.259 444 M C 1.439 177.677 176.300 -0.104 0.000 1.086 444 M CA 1.406 56.612 55.300 -0.156 0.000 1.096 444 M CB 0.243 32.704 32.600 -0.231 0.000 1.424 444 M HN 0.385 nan 8.290 nan 0.000 0.488 445 T N -4.071 110.476 114.554 -0.012 0.000 3.040 445 T HA 0.143 4.494 4.350 0.001 0.000 0.266 445 T C 0.269 175.090 174.700 0.202 0.000 1.005 445 T CA -0.388 61.778 62.100 0.110 0.000 0.906 445 T CB -0.247 68.767 68.868 0.243 0.000 1.082 445 T HN 0.145 nan 8.240 nan 0.000 0.531 446 Y N 1.770 121.944 120.300 -0.211 0.000 2.334 446 Y HA 0.588 5.139 4.550 0.001 0.000 0.325 446 Y C 0.052 175.820 175.900 -0.220 0.000 1.308 446 Y CA -2.460 55.406 58.100 -0.391 0.000 1.389 446 Y CB 0.665 38.588 38.460 -0.896 0.000 1.328 446 Y HN 0.145 nan 8.280 nan 0.000 0.532 447 L N 3.405 123.923 121.223 -1.174 0.000 2.433 447 L HA 0.512 4.852 4.340 0.001 0.000 0.275 447 L C 0.116 176.679 176.870 -0.512 0.000 1.128 447 L CA 1.266 55.658 54.840 -0.747 0.000 0.875 447 L CB -0.517 41.079 42.059 -0.771 0.000 1.171 447 L HN 0.820 nan 8.230 nan 0.000 0.463 448 G N 2.610 111.229 108.800 -0.301 0.000 2.347 448 G HA2 0.013 3.974 3.960 0.001 0.000 0.341 448 G HA3 0.013 3.974 3.960 0.001 0.000 0.341 448 G C -0.918 173.861 174.900 -0.201 0.000 1.287 448 G CA -0.526 44.447 45.100 -0.212 0.000 0.984 448 G HN 0.559 nan 8.290 nan 0.000 0.526 449 T N 3.165 117.617 114.554 -0.169 0.000 2.733 449 T HA 0.591 4.942 4.350 0.001 0.000 0.294 449 T C -2.477 172.045 174.700 -0.297 0.000 0.956 449 T CA -0.648 61.322 62.100 -0.217 0.000 0.987 449 T CB 1.580 70.319 68.868 -0.214 0.000 0.920 449 T HN 0.362 nan 8.240 nan 0.000 0.470 450 P HA 0.236 nan 4.420 nan 0.000 0.271 450 P C -0.927 176.228 177.300 -0.241 0.000 1.220 450 P CA -0.590 62.362 63.100 -0.246 0.000 0.768 450 P CB 0.458 32.051 31.700 -0.178 0.000 0.848 451 L N 5.598 126.708 121.223 -0.188 0.000 2.342 451 L HA 0.450 4.791 4.340 0.001 0.000 0.276 451 L C -0.956 175.921 176.870 0.012 0.000 0.997 451 L CA -0.379 54.376 54.840 -0.142 0.000 0.838 451 L CB 0.542 42.528 42.059 -0.121 0.000 1.224 451 L HN 0.240 nan 8.230 nan 0.000 0.416 452 I N 4.864 125.462 120.570 0.046 0.000 2.365 452 I HA 0.167 4.338 4.170 0.001 0.000 0.291 452 I C -0.902 175.181 176.117 -0.057 0.000 1.004 452 I CA -0.742 60.613 61.300 0.092 0.000 1.311 452 I CB 0.917 39.031 38.000 0.189 0.000 1.401 452 I HN 0.552 nan 8.210 nan 0.000 0.491 453 Y N 8.480 128.713 120.300 -0.111 0.000 2.350 453 Y HA 0.200 4.750 4.550 0.001 0.000 0.340 453 Y C 0.010 175.719 175.900 -0.318 0.000 1.006 453 Y CA -1.453 56.553 58.100 -0.157 0.000 1.166 453 Y CB 0.330 38.775 38.460 -0.025 0.000 1.168 453 Y HN 0.458 nan 8.280 nan 0.000 0.502 454 Y N 5.093 124.858 120.300 -0.892 0.000 2.996 454 Y HA 0.246 4.797 4.550 0.001 0.000 0.347 454 Y C 1.030 176.705 175.900 -0.376 0.000 1.276 454 Y CA 0.456 58.191 58.100 -0.608 0.000 1.601 454 Y CB -0.177 38.142 38.460 -0.236 0.000 1.193 454 Y HN 0.968 nan 8.280 nan 0.000 0.582 455 G N 3.015 111.711 108.800 -0.173 0.000 2.279 455 G HA2 -0.347 3.614 3.960 0.001 0.000 0.223 455 G HA3 -0.347 3.614 3.960 0.001 0.000 0.223 455 G C 0.751 175.552 174.900 -0.164 0.000 1.015 455 G CA 0.290 45.237 45.100 -0.255 0.000 0.621 455 G HN 0.604 nan 8.290 nan 0.000 0.506 456 D N 1.342 121.677 120.400 -0.108 0.000 2.144 456 D HA -0.033 4.608 4.640 0.001 0.000 0.199 456 D C 2.473 178.817 176.300 0.073 0.000 0.984 456 D CA 1.437 55.498 54.000 0.102 0.000 0.834 456 D CB -0.135 40.871 40.800 0.342 0.000 0.955 456 D HN 0.723 nan 8.370 nan 0.000 0.465 457 E N 1.193 121.289 120.200 -0.173 0.000 2.338 457 E HA -0.149 4.201 4.350 0.001 0.000 0.197 457 E C 1.699 178.333 176.600 0.057 0.000 1.007 457 E CA 0.599 56.716 56.400 -0.473 0.000 0.849 457 E CB -0.445 28.990 29.700 -0.442 0.000 0.774 457 E HN 0.517 nan 8.360 nan 0.000 0.506 458 I N -3.783 116.822 120.570 0.058 0.000 3.927 458 I HA 0.536 4.707 4.170 0.001 0.000 0.332 458 I C 0.887 176.986 176.117 -0.029 0.000 1.485 458 I CA -0.116 61.212 61.300 0.046 0.000 1.131 458 I CB 0.599 38.573 38.000 -0.042 0.000 1.092 458 I HN -0.007 nan 8.210 nan 0.000 0.410 459 G N 2.146 110.909 108.800 -0.062 0.000 2.225 459 G HA2 -0.259 3.702 3.960 0.001 0.000 0.264 459 G HA3 -0.259 3.702 3.960 0.001 0.000 0.264 459 G C 0.018 174.801 174.900 -0.195 0.000 1.060 459 G CA 0.058 45.047 45.100 -0.184 0.000 0.833 459 G HN 0.454 nan 8.290 nan 0.000 0.498 460 M N 0.057 119.551 119.600 -0.178 0.000 2.242 460 M HA 0.528 5.008 4.480 0.001 0.000 0.344 460 M C 0.722 176.925 176.300 -0.161 0.000 1.140 460 M CA 0.713 55.907 55.300 -0.176 0.000 1.160 460 M CB 1.195 33.665 32.600 -0.216 0.000 1.491 460 M HN 0.605 nan 8.290 nan 0.000 0.459 461 A N 1.473 124.210 122.820 -0.137 0.000 2.387 461 A HA 1.024 5.345 4.320 0.001 0.000 0.303 461 A C -0.387 177.145 177.584 -0.086 0.000 1.145 461 A CA -0.328 51.644 52.037 -0.109 0.000 0.801 461 A CB 1.836 20.769 19.000 -0.113 0.000 1.342 461 A HN 0.922 nan 8.150 nan 0.000 0.440 462 G N -1.481 107.281 108.800 -0.064 0.000 2.386 462 G HA2 0.641 4.602 3.960 0.001 0.000 0.302 462 G HA3 0.641 4.602 3.960 0.001 0.000 0.302 462 G C -0.468 174.404 174.900 -0.047 0.000 1.629 462 G CA 0.159 45.226 45.100 -0.056 0.000 0.917 462 G HN 1.773 nan 8.290 nan 0.000 0.676 463 A N 0.632 123.422 122.820 -0.051 0.000 2.280 463 A HA 0.849 5.170 4.320 0.001 0.000 0.268 463 A C 1.232 178.783 177.584 -0.056 0.000 1.111 463 A CA 0.789 52.795 52.037 -0.052 0.000 0.814 463 A CB 0.421 19.392 19.000 -0.050 0.000 1.093 463 A HN 1.794 nan 8.150 nan 0.000 0.498 464 T N -0.307 114.209 114.554 -0.062 0.000 2.663 464 T HA 0.055 4.405 4.350 0.001 0.000 0.325 464 T C 0.758 175.406 174.700 -0.087 0.000 1.059 464 T CA 0.316 62.370 62.100 -0.077 0.000 1.039 464 T CB -0.265 68.556 68.868 -0.077 0.000 0.996 464 T HN 0.894 nan 8.240 nan 0.000 0.539 465 N N 1.912 120.550 118.700 -0.104 0.000 2.219 465 N HA -0.015 4.726 4.740 0.001 0.000 0.263 465 N C -1.509 173.899 175.510 -0.170 0.000 1.269 465 N CA -0.755 52.224 53.050 -0.120 0.000 0.831 465 N CB 0.698 39.128 38.487 -0.095 0.000 1.059 465 N HN 0.360 nan 8.380 nan 0.000 0.475 466 P HA 0.108 nan 4.420 nan 0.000 0.267 466 P C -0.002 177.243 177.300 -0.091 0.000 1.289 466 P CA 0.098 63.090 63.100 -0.180 0.000 0.866 466 P CB 0.422 31.964 31.700 -0.263 0.000 1.309 467 D N 0.633 120.981 120.400 -0.088 0.000 2.350 467 D HA -0.122 4.519 4.640 0.001 0.000 0.216 467 D C 1.462 177.735 176.300 -0.046 0.000 0.968 467 D CA 0.795 54.761 54.000 -0.058 0.000 0.894 467 D CB -0.499 40.267 40.800 -0.057 0.000 0.909 467 D HN 0.213 nan 8.370 nan 0.000 0.520 468 C N -1.095 118.182 119.300 -0.038 0.000 2.626 468 C HA 0.368 4.829 4.460 0.001 0.000 0.266 468 C C 1.525 176.553 174.990 0.063 0.000 1.317 468 C CA -0.664 58.359 59.018 0.008 0.000 1.716 468 C CB -1.134 26.607 27.740 0.001 0.000 1.819 468 C HN 0.024 nan 8.230 nan 0.000 0.578 469 R N 0.858 121.375 120.500 0.029 0.000 2.702 469 R HA 0.254 4.595 4.340 0.001 0.000 0.314 469 R C 0.236 176.602 176.300 0.109 0.000 1.152 469 R CA -0.262 55.897 56.100 0.097 0.000 1.097 469 R CB -0.044 30.239 30.300 -0.029 0.000 1.343 469 R HN 0.585 nan 8.270 nan 0.000 0.575 470 R N 2.101 122.592 120.500 -0.014 0.000 2.784 470 R HA 0.070 4.410 4.340 0.001 0.000 0.266 470 R C -2.074 174.051 176.300 -0.292 0.000 1.044 470 R CA -1.320 54.656 56.100 -0.206 0.000 1.151 470 R CB -0.032 30.145 30.300 -0.206 0.000 1.037 470 R HN 0.003 nan 8.270 nan 0.000 0.478 471 P HA -0.067 nan 4.420 nan 0.000 0.271 471 P C -0.513 176.493 177.300 -0.491 0.000 1.220 471 P CA -0.188 62.231 63.100 -1.134 0.000 0.768 471 P CB 0.626 31.005 31.700 -2.202 0.000 0.848 472 M N 4.892 124.444 119.600 -0.080 0.000 2.260 472 M HA 0.051 4.532 4.480 0.001 0.000 0.348 472 M C -0.338 175.776 176.300 -0.311 0.000 1.342 472 M CA 0.471 55.688 55.300 -0.139 0.000 1.040 472 M CB -0.515 31.899 32.600 -0.309 0.000 1.810 472 M HN 0.142 nan 8.290 nan 0.000 0.453 473 I N 6.939 127.259 120.570 -0.417 0.000 2.363 473 I HA -0.039 4.132 4.170 0.001 0.000 0.292 473 I C -0.044 175.773 176.117 -0.500 0.000 1.075 473 I CA 0.495 61.613 61.300 -0.303 0.000 1.333 473 I CB -0.754 37.118 38.000 -0.213 0.000 1.415 473 I HN 0.956 nan 8.210 nan 0.000 0.502 474 W N 3.126 124.389 121.300 -0.061 0.000 3.013 474 W HA 0.145 4.806 4.660 0.001 0.000 0.280 474 W C 1.104 177.540 176.519 -0.139 0.000 1.249 474 W CA -0.357 56.878 57.345 -0.183 0.000 1.577 474 W CB 0.457 29.772 29.460 -0.241 0.000 1.057 474 W HN 0.448 nan 8.180 nan 0.000 0.613 475 E N 2.329 122.590 120.200 0.103 0.000 2.292 475 E HA -0.096 4.254 4.350 0.001 0.000 0.265 475 E C 1.332 177.943 176.600 0.018 0.000 1.093 475 E CA 0.082 56.514 56.400 0.054 0.000 0.922 475 E CB 0.755 30.480 29.700 0.042 0.000 1.001 475 E HN 0.228 nan 8.360 nan 0.000 0.444 476 E N 3.754 123.966 120.200 0.020 0.000 2.114 476 E HA -0.295 4.056 4.350 0.001 0.000 0.199 476 E C 0.967 177.567 176.600 0.001 0.000 1.008 476 E CA 1.788 58.191 56.400 0.004 0.000 0.810 476 E CB 0.244 29.953 29.700 0.016 0.000 0.739 476 E HN 0.391 nan 8.360 nan 0.000 0.456 477 K N 0.432 120.836 120.400 0.007 0.000 2.283 477 K HA -0.084 4.237 4.320 0.001 0.000 0.202 477 K C 1.649 178.247 176.600 -0.003 0.000 1.048 477 K CA 0.992 57.282 56.287 0.006 0.000 0.948 477 K CB 0.147 32.652 32.500 0.009 0.000 0.742 477 K HN 0.132 nan 8.250 nan 0.000 0.458 478 E N 0.550 120.744 120.200 -0.011 0.000 2.472 478 E HA 0.043 4.394 4.350 0.001 0.000 0.196 478 E C -0.059 176.515 176.600 -0.044 0.000 1.033 478 E CA 0.281 56.667 56.400 -0.025 0.000 0.886 478 E CB 0.256 29.942 29.700 -0.024 0.000 0.944 478 E HN 0.448 nan 8.360 nan 0.000 0.492 479 Q N 0.814 120.587 119.800 -0.045 0.000 2.260 479 Q HA 0.212 4.552 4.340 0.001 0.000 0.238 479 Q C 0.215 176.203 176.000 -0.019 0.000 0.948 479 Q CA -0.476 55.291 55.803 -0.059 0.000 0.895 479 Q CB 0.756 29.441 28.738 -0.087 0.000 1.218 479 Q HN -0.140 nan 8.270 nan 0.000 0.470 480 N N 1.545 120.243 118.700 -0.002 0.000 2.602 480 N HA 0.034 4.775 4.740 0.001 0.000 0.238 480 N C 0.188 175.767 175.510 0.115 0.000 1.084 480 N CA -0.021 53.053 53.050 0.040 0.000 0.952 480 N CB 0.431 38.934 38.487 0.026 0.000 1.244 480 N HN 0.451 nan 8.380 nan 0.000 0.512 481 R N 1.969 122.538 120.500 0.115 0.000 2.148 481 R HA -0.007 4.334 4.340 0.001 0.000 0.227 481 R C 1.733 178.185 176.300 0.252 0.000 1.103 481 R CA 0.875 57.094 56.100 0.198 0.000 0.983 481 R CB -0.845 29.543 30.300 0.146 0.000 0.874 481 R HN 0.558 nan 8.270 nan 0.000 0.451 482 G N 1.249 110.155 108.800 0.178 0.000 2.421 482 G HA2 -0.225 3.735 3.960 0.001 0.000 0.216 482 G HA3 -0.225 3.735 3.960 0.001 0.000 0.216 482 G C 1.577 176.622 174.900 0.242 0.000 1.171 482 G CA 0.223 45.426 45.100 0.171 0.000 0.775 482 G HN 0.210 nan 8.290 nan 0.000 0.543 483 L N -0.816 120.562 121.223 0.259 0.000 2.017 483 L HA 0.022 4.363 4.340 0.001 0.000 0.208 483 L C 2.579 179.773 176.870 0.540 0.000 1.073 483 L CA 1.241 56.315 54.840 0.389 0.000 0.745 483 L CB -0.307 41.954 42.059 0.337 0.000 0.894 483 L HN 0.316 nan 8.230 nan 0.000 0.432 484 F N 0.754 120.856 119.950 0.253 0.000 2.087 484 F HA -0.341 4.186 4.527 0.001 0.000 0.299 484 F C 2.576 178.510 175.800 0.224 0.000 1.100 484 F CA 1.738 59.855 58.000 0.194 0.000 1.226 484 F CB 0.047 39.122 39.000 0.126 0.000 0.983 484 F HN 0.117 nan 8.300 nan 0.000 0.479 485 E N -0.019 120.328 120.200 0.245 0.000 2.153 485 E HA -0.241 4.109 4.350 0.001 0.000 0.194 485 E C 2.009 178.697 176.600 0.146 0.000 0.988 485 E CA 1.234 57.698 56.400 0.107 0.000 0.811 485 E CB -0.859 28.942 29.700 0.168 0.000 0.746 485 E HN 0.577 nan 8.360 nan 0.000 0.466 486 F N 0.275 120.291 119.950 0.110 0.000 2.075 486 F HA -0.289 4.238 4.527 0.001 0.000 0.297 486 F C 2.164 177.999 175.800 0.059 0.000 1.113 486 F CA 1.357 59.409 58.000 0.088 0.000 1.218 486 F CB -0.226 38.852 39.000 0.129 0.000 0.984 486 F HN -0.034 nan 8.300 nan 0.000 0.472 487 Y N 0.907 121.215 120.300 0.014 0.000 2.128 487 Y HA -0.249 4.302 4.550 0.001 0.000 0.284 487 Y C 2.442 178.204 175.900 -0.230 0.000 1.154 487 Y CA 2.062 60.088 58.100 -0.124 0.000 1.149 487 Y CB -0.586 37.873 38.460 -0.002 0.000 0.976 487 Y HN -0.021 nan 8.280 nan 0.000 0.505 488 K N -0.145 120.188 120.400 -0.110 0.000 2.103 488 K HA -0.256 4.065 4.320 0.001 0.000 0.207 488 K C 2.100 178.611 176.600 -0.148 0.000 1.048 488 K CA 1.786 57.952 56.287 -0.202 0.000 0.930 488 K CB -0.170 32.131 32.500 -0.332 0.000 0.716 488 K HN 0.386 nan 8.250 nan 0.000 0.444 489 E N 0.972 121.084 120.200 -0.146 0.000 2.047 489 E HA -0.159 4.192 4.350 0.001 0.000 0.191 489 E C 1.994 178.469 176.600 -0.208 0.000 0.987 489 E CA 0.763 57.077 56.400 -0.143 0.000 0.799 489 E CB 0.043 29.679 29.700 -0.106 0.000 0.752 489 E HN 0.192 nan 8.360 nan 0.000 0.449 490 L N 0.731 121.753 121.223 -0.335 0.000 2.046 490 L HA -0.207 4.134 4.340 0.001 0.000 0.208 490 L C 2.574 179.291 176.870 -0.256 0.000 1.077 490 L CA 1.014 55.641 54.840 -0.356 0.000 0.747 490 L CB -0.374 41.367 42.059 -0.529 0.000 0.896 490 L HN 0.271 nan 8.230 nan 0.000 0.432 491 I N -0.609 119.835 120.570 -0.211 0.000 2.208 491 I HA -0.307 3.863 4.170 0.001 0.000 0.245 491 I C 2.799 178.820 176.117 -0.161 0.000 1.097 491 I CA 1.296 62.483 61.300 -0.187 0.000 1.363 491 I CB -0.333 37.618 38.000 -0.081 0.000 1.051 491 I HN 0.224 nan 8.210 nan 0.000 0.413 492 R N 0.541 120.990 120.500 -0.085 0.000 2.073 492 R HA -0.145 4.196 4.340 0.001 0.000 0.234 492 R C 2.362 178.615 176.300 -0.079 0.000 1.134 492 R CA 1.289 57.373 56.100 -0.027 0.000 0.952 492 R CB -0.507 29.767 30.300 -0.044 0.000 0.850 492 R HN 0.353 nan 8.270 nan 0.000 0.433 493 L N 0.253 121.396 121.223 -0.133 0.000 2.042 493 L HA -0.212 4.129 4.340 0.001 0.000 0.210 493 L C 2.845 179.609 176.870 -0.177 0.000 1.076 493 L CA 1.383 56.130 54.840 -0.155 0.000 0.749 493 L CB -0.417 41.551 42.059 -0.153 0.000 0.893 493 L HN 0.212 nan 8.230 nan 0.000 0.432 494 R N -0.944 119.421 120.500 -0.226 0.000 2.091 494 R HA -0.191 4.150 4.340 0.001 0.000 0.238 494 R C 2.342 178.486 176.300 -0.260 0.000 1.136 494 R CA 1.434 57.373 56.100 -0.269 0.000 0.959 494 R CB -0.163 29.919 30.300 -0.363 0.000 0.856 494 R HN 0.464 nan 8.270 nan 0.000 0.437 495 H N -0.572 118.439 119.070 -0.099 0.000 2.462 495 H HA 0.018 4.574 4.556 0.001 0.000 0.292 495 H C 1.896 177.163 175.328 -0.103 0.000 1.049 495 H CA 1.022 57.019 56.048 -0.086 0.000 1.334 495 H CB 0.147 29.866 29.762 -0.073 0.000 1.404 495 H HN 0.210 nan 8.280 nan 0.000 0.544 496 R N 0.083 120.564 120.500 -0.033 0.000 2.200 496 R HA 0.155 4.496 4.340 0.001 0.000 0.208 496 R C 0.287 176.473 176.300 -0.190 0.000 1.033 496 R CA 0.129 56.162 56.100 -0.112 0.000 1.000 496 R CB 0.403 30.609 30.300 -0.157 0.000 0.906 496 R HN 0.058 nan 8.270 nan 0.000 0.462 497 L N 0.875 121.981 121.223 -0.196 0.000 2.272 497 L HA 0.299 4.640 4.340 0.001 0.000 0.284 497 L C 1.108 177.910 176.870 -0.114 0.000 1.045 497 L CA -0.549 54.159 54.840 -0.219 0.000 0.842 497 L CB 1.546 43.462 42.059 -0.238 0.000 1.224 497 L HN 0.105 nan 8.230 nan 0.000 0.430 498 A N 2.006 124.777 122.820 -0.081 0.000 1.978 498 A HA -0.201 4.120 4.320 0.001 0.000 0.220 498 A C 2.329 179.897 177.584 -0.027 0.000 1.170 498 A CA 2.121 54.134 52.037 -0.039 0.000 0.636 498 A CB -0.338 18.650 19.000 -0.020 0.000 0.810 498 A HN 0.796 nan 8.150 nan 0.000 0.448 499 S N -0.193 115.500 115.700 -0.012 0.000 2.447 499 S HA -0.006 4.465 4.470 0.001 0.000 0.233 499 S C 1.667 176.266 174.600 -0.001 0.000 1.006 499 S CA 1.213 59.422 58.200 0.015 0.000 0.957 499 S CB -0.581 62.658 63.200 0.066 0.000 0.773 499 S HN 0.488 nan 8.310 nan 0.000 0.507 500 L N 1.688 122.893 121.223 -0.029 0.000 2.395 500 L HA 0.023 4.364 4.340 0.001 0.000 0.218 500 L C 2.807 179.632 176.870 -0.075 0.000 1.130 500 L CA 1.385 56.201 54.840 -0.040 0.000 0.826 500 L CB -0.814 41.205 42.059 -0.067 0.000 0.941 500 L HN 0.640 nan 8.230 nan 0.000 0.451 501 T N -4.045 110.465 114.554 -0.074 0.000 3.056 501 T HA 0.054 4.405 4.350 0.001 0.000 0.241 501 T C 1.724 176.377 174.700 -0.078 0.000 1.006 501 T CA -0.183 61.868 62.100 -0.083 0.000 1.115 501 T CB 0.105 68.938 68.868 -0.060 0.000 0.939 501 T HN 0.140 nan 8.240 nan 0.000 0.462 502 R N 1.115 121.581 120.500 -0.056 0.000 2.509 502 R HA 0.471 4.812 4.340 0.001 0.000 0.300 502 R C 0.847 177.122 176.300 -0.040 0.000 0.985 502 R CA -0.290 55.779 56.100 -0.053 0.000 1.092 502 R CB 1.019 31.296 30.300 -0.039 0.000 1.237 502 R HN 0.460 nan 8.270 nan 0.000 0.546 503 G N 0.462 109.242 108.800 -0.034 0.000 2.488 503 G HA2 0.162 4.123 3.960 0.001 0.000 0.318 503 G HA3 0.162 4.123 3.960 0.001 0.000 0.318 503 G C -0.452 174.432 174.900 -0.027 0.000 1.188 503 G CA -0.787 44.307 45.100 -0.010 0.000 0.944 503 G HN 0.326 nan 8.290 nan 0.000 0.495 504 N N -2.380 116.317 118.700 -0.005 0.000 2.405 504 N HA 0.491 5.232 4.740 0.001 0.000 0.269 504 N C -1.050 174.462 175.510 0.004 0.000 1.249 504 N CA -0.750 52.289 53.050 -0.017 0.000 0.974 504 N CB 1.931 40.417 38.487 -0.000 0.000 1.204 504 N HN 0.450 nan 8.380 nan 0.000 0.565 505 V N -0.257 119.658 119.914 0.001 0.000 2.709 505 V HA 0.556 4.677 4.120 0.001 0.000 0.308 505 V C -1.402 174.752 176.094 0.100 0.000 1.062 505 V CA -0.675 61.670 62.300 0.074 0.000 0.901 505 V CB 1.601 33.419 31.823 -0.009 0.000 1.003 505 V HN 0.751 nan 8.190 nan 0.000 0.425 506 R N 3.674 124.272 120.500 0.163 0.000 2.621 506 R HA 0.510 4.851 4.340 0.001 0.000 0.284 506 R C -0.633 175.808 176.300 0.234 0.000 0.998 506 R CA -0.598 55.587 56.100 0.141 0.000 0.895 506 R CB 2.137 32.474 30.300 0.062 0.000 1.195 506 R HN 0.746 nan 8.270 nan 0.000 0.450 507 S N 1.548 117.396 115.700 0.247 0.000 2.549 507 S HA 0.051 4.522 4.470 0.001 0.000 0.283 507 S C 0.275 175.045 174.600 0.283 0.000 1.320 507 S CA -0.304 58.082 58.200 0.310 0.000 1.058 507 S CB 0.608 64.010 63.200 0.336 0.000 0.882 507 S HN 0.630 nan 8.310 nan 0.000 0.498 508 W N 3.076 124.381 121.300 0.009 0.000 2.798 508 W HA 0.300 4.961 4.660 0.001 0.000 0.260 508 W C 0.482 177.037 176.519 0.059 0.000 1.165 508 W CA 0.582 57.921 57.345 -0.010 0.000 1.501 508 W CB -0.155 29.251 29.460 -0.090 0.000 1.023 508 W HN 0.782 nan 8.180 nan 0.000 0.615 509 H N -0.606 118.454 119.070 -0.016 0.000 3.085 509 H HA 0.548 5.105 4.556 0.001 0.000 0.356 509 H C -1.463 173.882 175.328 0.028 0.000 1.178 509 H CA -0.150 55.835 56.048 -0.105 0.000 1.214 509 H CB 1.644 31.189 29.762 -0.362 0.000 1.881 509 H HN -0.059 nan 8.280 nan 0.000 0.538 510 A N 3.930 126.580 122.820 -0.283 0.000 2.442 510 A HA 0.416 4.737 4.320 0.001 0.000 0.284 510 A C -1.717 175.734 177.584 -0.222 0.000 1.058 510 A CA -0.602 51.419 52.037 -0.027 0.000 0.738 510 A CB 1.170 20.220 19.000 0.083 0.000 1.242 510 A HN 0.634 nan 8.150 nan 0.000 0.421 511 D N 3.040 123.393 120.400 -0.078 0.000 2.473 511 D HA 0.185 4.826 4.640 0.001 0.000 0.253 511 D C 0.940 177.184 176.300 -0.092 0.000 1.233 511 D CA -0.384 53.563 54.000 -0.088 0.000 0.908 511 D CB 1.323 42.142 40.800 0.031 0.000 1.170 511 D HN 0.624 nan 8.370 nan 0.000 0.558 512 K N 2.377 122.640 120.400 -0.228 0.000 2.147 512 K HA -0.188 4.133 4.320 0.001 0.000 0.205 512 K C 1.282 177.773 176.600 -0.181 0.000 1.049 512 K CA 0.853 56.900 56.287 -0.400 0.000 0.936 512 K CB 0.257 32.270 32.500 -0.811 0.000 0.722 512 K HN 0.154 nan 8.250 nan 0.000 0.446 513 Q N 1.147 120.878 119.800 -0.115 0.000 1.994 513 Q HA 0.071 4.412 4.340 0.001 0.000 0.198 513 Q C 2.126 178.105 176.000 -0.034 0.000 0.976 513 Q CA 2.179 57.947 55.803 -0.059 0.000 0.828 513 Q CB -0.378 28.331 28.738 -0.048 0.000 0.894 513 Q HN 0.486 nan 8.270 nan 0.000 0.432 514 A N -0.105 122.702 122.820 -0.022 0.000 2.167 514 A HA 0.004 4.325 4.320 0.001 0.000 0.214 514 A C 0.566 178.150 177.584 -0.001 0.000 1.151 514 A CA 0.797 52.825 52.037 -0.015 0.000 0.735 514 A CB -0.375 18.622 19.000 -0.005 0.000 0.802 514 A HN 0.582 nan 8.150 nan 0.000 0.467 515 N N -1.714 117.001 118.700 0.025 0.000 2.738 515 N HA -0.155 4.586 4.740 0.001 0.000 0.249 515 N C -0.516 175.080 175.510 0.144 0.000 1.047 515 N CA 0.878 53.982 53.050 0.089 0.000 0.707 515 N CB -1.677 36.832 38.487 0.036 0.000 0.937 515 N HN 0.607 nan 8.380 nan 0.000 0.545 516 L N 1.009 122.327 121.223 0.158 0.000 2.341 516 L HA 0.620 4.961 4.340 0.001 0.000 0.278 516 L C -0.882 176.173 176.870 0.310 0.000 1.005 516 L CA -1.004 53.955 54.840 0.198 0.000 0.818 516 L CB 1.036 43.155 42.059 0.100 0.000 1.259 516 L HN 0.223 nan 8.230 nan 0.000 0.418 517 Y N 4.617 125.047 120.300 0.216 0.000 2.462 517 Y HA 0.794 5.344 4.550 0.001 0.000 0.346 517 Y C -0.873 175.194 175.900 0.278 0.000 0.976 517 Y CA -0.615 57.620 58.100 0.224 0.000 1.044 517 Y CB 1.934 40.526 38.460 0.221 0.000 1.230 517 Y HN 0.721 nan 8.280 nan 0.000 0.455 518 A N 5.734 128.264 122.820 -0.485 0.000 2.486 518 A HA 0.772 5.093 4.320 0.001 0.000 0.300 518 A C -1.921 175.492 177.584 -0.286 0.000 1.048 518 A CA -0.531 51.321 52.037 -0.307 0.000 0.696 518 A CB 0.859 19.665 19.000 -0.324 0.000 1.278 518 A HN 0.835 nan 8.150 nan 0.000 0.405 519 F N -0.177 119.733 119.950 -0.065 0.000 2.664 519 F HA 0.878 5.405 4.527 0.001 0.000 0.317 519 F C -1.189 174.712 175.800 0.168 0.000 1.108 519 F CA -1.429 56.615 58.000 0.073 0.000 0.957 519 F CB 1.273 40.356 39.000 0.139 0.000 1.365 519 F HN 0.360 nan 8.300 nan 0.000 0.475 520 V N 2.186 122.183 119.914 0.139 0.000 2.656 520 V HA 0.611 4.731 4.120 0.001 0.000 0.307 520 V C -0.673 175.474 176.094 0.088 0.000 1.051 520 V CA -0.825 61.416 62.300 -0.099 0.000 0.893 520 V CB 1.853 33.453 31.823 -0.372 0.000 0.999 520 V HN 0.706 nan 8.190 nan 0.000 0.426 521 R N 2.164 122.704 120.500 0.067 0.000 2.393 521 R HA 0.755 5.095 4.340 0.001 0.000 0.310 521 R C -0.637 175.719 176.300 0.093 0.000 0.968 521 R CA -0.440 55.729 56.100 0.115 0.000 0.867 521 R CB 1.808 32.188 30.300 0.133 0.000 1.124 521 R HN 0.734 nan 8.270 nan 0.000 0.450 522 T N 1.074 115.686 114.554 0.098 0.000 2.881 522 T HA 0.389 4.740 4.350 0.001 0.000 0.290 522 T C -1.168 173.594 174.700 0.103 0.000 1.000 522 T CA -0.600 61.600 62.100 0.168 0.000 0.978 522 T CB 2.120 71.103 68.868 0.192 0.000 0.997 522 T HN 0.273 nan 8.240 nan 0.000 0.443 523 V N 4.380 124.350 119.914 0.094 0.000 2.567 523 V HA 0.560 4.681 4.120 0.001 0.000 0.298 523 V C 0.107 176.217 176.094 0.027 0.000 1.047 523 V CA -0.095 62.232 62.300 0.045 0.000 0.880 523 V CB 1.174 33.013 31.823 0.028 0.000 1.009 523 V HN 1.000 nan 8.190 nan 0.000 0.429 524 Q N 4.700 124.509 119.800 0.015 0.000 1.786 524 Q HA -0.267 4.074 4.340 0.001 0.000 0.369 524 Q C 0.539 176.511 176.000 -0.047 0.000 0.796 524 Q CA 2.670 58.468 55.803 -0.007 0.000 0.877 524 Q CB -1.276 27.457 28.738 -0.009 0.000 3.276 524 Q HN 0.824 nan 8.270 nan 0.000 0.718 525 D N 0.202 120.551 120.400 -0.086 0.000 2.354 525 D HA 0.082 4.723 4.640 0.001 0.000 0.209 525 D C 0.077 176.188 176.300 -0.315 0.000 1.015 525 D CA 0.539 54.419 54.000 -0.201 0.000 0.867 525 D CB -0.040 40.672 40.800 -0.146 0.000 0.933 525 D HN 0.385 nan 8.370 nan 0.000 0.520 526 Q N 0.769 120.496 119.800 -0.122 0.000 2.332 526 Q HA 0.093 4.434 4.340 0.001 0.000 0.263 526 Q C -0.853 175.179 176.000 0.053 0.000 0.979 526 Q CA 0.289 56.092 55.803 0.001 0.000 0.885 526 Q CB 0.423 29.246 28.738 0.142 0.000 1.218 526 Q HN 0.254 nan 8.270 nan 0.000 0.405 527 H N 1.556 120.707 119.070 0.136 0.000 2.667 527 H HA 0.538 5.094 4.556 0.001 0.000 0.353 527 H C -1.377 174.060 175.328 0.180 0.000 1.072 527 H CA -1.163 54.943 56.048 0.095 0.000 1.214 527 H CB 2.035 31.828 29.762 0.051 0.000 1.600 527 H HN 0.357 nan 8.280 nan 0.000 0.527 528 V N 2.791 122.832 119.914 0.212 0.000 2.447 528 V HA 0.399 4.520 4.120 0.001 0.000 0.292 528 V C 0.214 176.286 176.094 -0.038 0.000 1.021 528 V CA -0.765 61.629 62.300 0.156 0.000 0.850 528 V CB 1.663 33.559 31.823 0.121 0.000 1.005 528 V HN 0.947 nan 8.190 nan 0.000 0.426 529 G N 3.433 112.189 108.800 -0.074 0.000 2.332 529 G HA2 0.601 4.562 3.960 0.001 0.000 0.310 529 G HA3 0.601 4.562 3.960 0.001 0.000 0.310 529 G C -0.914 173.960 174.900 -0.044 0.000 1.123 529 G CA -0.418 44.592 45.100 -0.150 0.000 0.873 529 G HN 0.533 nan 8.290 nan 0.000 0.460 530 V N 2.708 122.444 119.914 -0.296 0.000 2.409 530 V HA 0.408 4.529 4.120 0.001 0.000 0.291 530 V C -0.244 175.776 176.094 -0.124 0.000 1.020 530 V CA -0.667 61.462 62.300 -0.285 0.000 0.848 530 V CB 1.608 33.068 31.823 -0.605 0.000 0.990 530 V HN 0.529 nan 8.190 nan 0.000 0.430 531 V N 6.736 126.646 119.914 -0.007 0.000 2.378 531 V HA 0.508 4.629 4.120 0.001 0.000 0.288 531 V C -0.384 175.770 176.094 0.101 0.000 1.016 531 V CA -0.474 61.809 62.300 -0.030 0.000 0.840 531 V CB 1.524 33.253 31.823 -0.157 0.000 0.994 531 V HN 0.676 nan 8.190 nan 0.000 0.431 532 L N 4.167 125.510 121.223 0.201 0.000 2.298 532 L HA 0.546 4.887 4.340 0.001 0.000 0.284 532 L C 0.010 177.007 176.870 0.213 0.000 1.013 532 L CA -0.431 54.586 54.840 0.294 0.000 0.824 532 L CB 1.313 43.690 42.059 0.531 0.000 1.221 532 L HN 0.501 nan 8.230 nan 0.000 0.418 533 N N 2.301 121.080 118.700 0.132 0.000 2.602 533 N HA 0.060 4.800 4.740 0.001 0.000 0.238 533 N C -0.223 175.304 175.510 0.028 0.000 1.084 533 N CA -0.113 52.964 53.050 0.044 0.000 0.952 533 N CB 0.323 38.797 38.487 -0.021 0.000 1.244 533 N HN 0.427 nan 8.380 nan 0.000 0.512 534 N N 2.846 121.554 118.700 0.012 0.000 3.331 534 N HA 0.183 4.924 4.740 0.001 0.000 0.303 534 N C -1.151 174.272 175.510 -0.145 0.000 1.326 534 N CA -0.070 52.947 53.050 -0.056 0.000 1.207 534 N CB -0.146 38.051 38.487 -0.483 0.000 1.477 534 N HN 0.340 nan 8.380 nan 0.000 0.541 535 R N -0.484 119.805 120.500 -0.351 0.000 2.626 535 R HA 0.371 4.712 4.340 0.001 0.000 0.274 535 R C 0.114 175.854 176.300 -0.933 0.000 1.031 535 R CA -0.661 55.175 56.100 -0.441 0.000 0.898 535 R CB 1.356 31.513 30.300 -0.238 0.000 1.222 535 R HN 0.296 nan 8.270 nan 0.000 0.455 536 G N 2.014 110.358 108.800 -0.760 0.000 3.414 536 G HA2 0.065 4.026 3.960 0.001 0.000 0.258 536 G HA3 0.065 4.026 3.960 0.001 0.000 0.258 536 G C -0.046 174.671 174.900 -0.305 0.000 1.348 536 G CA 0.207 44.925 45.100 -0.637 0.000 1.319 536 G HN 0.308 nan 8.290 nan 0.000 0.555 537 E N -0.109 119.910 120.200 -0.301 0.000 2.367 537 E HA 0.219 4.570 4.350 0.001 0.000 0.273 537 E C -0.856 175.655 176.600 -0.148 0.000 0.903 537 E CA -0.850 55.449 56.400 -0.168 0.000 0.764 537 E CB 2.143 31.768 29.700 -0.125 0.000 1.252 537 E HN 0.100 nan 8.360 nan 0.000 0.446 538 K N 2.453 122.795 120.400 -0.097 0.000 2.338 538 K HA 0.106 4.427 4.320 0.001 0.000 0.290 538 K C -0.536 176.021 176.600 -0.072 0.000 1.069 538 K CA 0.290 56.532 56.287 -0.076 0.000 0.941 538 K CB 0.410 32.880 32.500 -0.051 0.000 1.023 538 K HN 0.362 nan 8.250 nan 0.000 0.477 539 Q N 1.990 121.745 119.800 -0.076 0.000 2.387 539 Q HA 0.335 4.676 4.340 0.001 0.000 0.273 539 Q C -0.977 174.981 176.000 -0.070 0.000 1.089 539 Q CA -0.967 54.794 55.803 -0.070 0.000 0.824 539 Q CB 2.540 31.233 28.738 -0.075 0.000 1.367 539 Q HN 0.494 nan 8.270 nan 0.000 0.443 540 T N 1.054 115.567 114.554 -0.068 0.000 2.855 540 T HA 0.646 4.997 4.350 0.001 0.000 0.281 540 T C -0.619 174.021 174.700 -0.099 0.000 1.007 540 T CA -0.656 61.398 62.100 -0.077 0.000 1.009 540 T CB 1.297 70.129 68.868 -0.059 0.000 0.983 540 T HN 0.463 nan 8.240 nan 0.000 0.455 541 V N 0.536 120.364 119.914 -0.143 0.000 3.114 541 V HA 0.726 4.847 4.120 0.001 0.000 0.308 541 V C -1.426 174.521 176.094 -0.244 0.000 1.168 541 V CA -1.271 60.906 62.300 -0.207 0.000 1.015 541 V CB 1.870 33.504 31.823 -0.314 0.000 1.050 541 V HN 0.784 nan 8.190 nan 0.000 0.433 542 L N 3.330 124.398 121.223 -0.258 0.000 2.316 542 L HA 0.613 4.954 4.340 0.001 0.000 0.280 542 L C -0.790 175.891 176.870 -0.315 0.000 1.006 542 L CA -0.347 54.364 54.840 -0.216 0.000 0.836 542 L CB 1.537 43.536 42.059 -0.100 0.000 1.221 542 L HN 0.531 nan 8.230 nan 0.000 0.418 543 L N 3.319 124.332 121.223 -0.349 0.000 2.325 543 L HA 0.452 4.793 4.340 0.001 0.000 0.278 543 L C -0.152 176.676 176.870 -0.068 0.000 1.023 543 L CA -0.949 53.661 54.840 -0.384 0.000 0.811 543 L CB 1.559 43.162 42.059 -0.760 0.000 1.249 543 L HN 0.489 nan 8.230 nan 0.000 0.431 544 Q N 2.872 122.724 119.800 0.087 0.000 2.288 544 Q HA 0.430 4.771 4.340 0.001 0.000 0.254 544 Q C -0.535 175.635 176.000 0.282 0.000 0.932 544 Q CA -0.283 55.623 55.803 0.171 0.000 0.902 544 Q CB 2.037 30.877 28.738 0.170 0.000 1.203 544 Q HN 0.507 nan 8.270 nan 0.000 0.415 545 V N -0.429 119.613 119.914 0.213 0.000 2.757 545 V HA 0.341 4.462 4.120 0.001 0.000 0.262 545 V C -2.588 173.647 176.094 0.235 0.000 0.971 545 V CA -1.813 60.631 62.300 0.241 0.000 0.906 545 V CB 1.359 33.347 31.823 0.274 0.000 1.056 545 V HN 0.585 nan 8.190 nan 0.000 0.489 546 P HA 0.257 nan 4.420 nan 0.000 0.271 546 P C 0.849 178.233 177.300 0.141 0.000 1.216 546 P CA 0.140 63.321 63.100 0.134 0.000 0.776 546 P CB 1.342 33.101 31.700 0.099 0.000 0.881 547 E N 1.401 121.663 120.200 0.104 0.000 2.233 547 E HA -0.209 4.142 4.350 0.001 0.000 0.199 547 E C 1.860 178.483 176.600 0.039 0.000 1.004 547 E CA 1.915 58.353 56.400 0.063 0.000 0.819 547 E CB -0.232 29.488 29.700 0.034 0.000 0.738 547 E HN 0.604 nan 8.360 nan 0.000 0.478 548 S N 0.169 115.904 115.700 0.058 0.000 2.383 548 S HA -0.125 4.346 4.470 0.001 0.000 0.229 548 S C 2.081 176.724 174.600 0.071 0.000 1.030 548 S CA 1.183 59.413 58.200 0.050 0.000 1.002 548 S CB -0.553 62.684 63.200 0.062 0.000 0.829 548 S HN 0.310 nan 8.310 nan 0.000 0.467 549 G N 0.603 109.486 108.800 0.138 0.000 2.985 549 G HA2 0.494 4.455 3.960 0.001 0.000 0.209 549 G HA3 0.494 4.455 3.960 0.001 0.000 0.209 549 G C 0.677 175.645 174.900 0.113 0.000 1.165 549 G CA 0.018 45.270 45.100 0.254 0.000 0.776 549 G HN 1.256 nan 8.290 nan 0.000 0.541 550 G N 0.002 108.770 108.800 -0.052 0.000 2.570 550 G HA2 0.051 4.012 3.960 0.001 0.000 0.686 550 G HA3 0.051 4.012 3.960 0.001 0.000 0.686 550 G C 0.183 174.792 174.900 -0.485 0.000 1.257 550 G CA 0.043 44.940 45.100 -0.338 0.000 0.846 550 G HN 0.742 nan 8.290 nan 0.000 0.627 551 K N -1.836 118.210 120.400 -0.589 0.000 2.440 551 K HA 0.475 4.796 4.320 0.001 0.000 0.207 551 K C 0.412 176.694 176.600 -0.530 0.000 1.112 551 K CA 0.575 56.622 56.287 -0.400 0.000 1.036 551 K CB 1.015 33.456 32.500 -0.099 0.000 0.935 551 K HN 0.540 nan 8.250 nan 0.000 0.564 552 T N 1.033 115.067 114.554 -0.867 0.000 2.881 552 T HA 0.405 4.756 4.350 0.001 0.000 0.290 552 T C -1.462 172.767 174.700 -0.785 0.000 1.000 552 T CA -0.676 61.115 62.100 -0.516 0.000 0.978 552 T CB 1.151 69.884 68.868 -0.225 0.000 0.997 552 T HN 0.169 nan 8.240 nan 0.000 0.443 553 W N 1.888 123.112 121.300 -0.127 0.000 2.929 553 W HA 0.739 5.400 4.660 0.001 0.000 0.345 553 W C -1.183 175.276 176.519 -0.100 0.000 1.151 553 W CA -0.884 56.396 57.345 -0.107 0.000 1.111 553 W CB 1.982 31.428 29.460 -0.023 0.000 1.449 553 W HN 0.370 nan 8.180 nan 0.000 0.572 554 L N 2.071 123.420 121.223 0.210 0.000 2.410 554 L HA 0.318 4.659 4.340 0.001 0.000 0.270 554 L C -0.603 176.400 176.870 0.222 0.000 0.983 554 L CA -0.168 54.773 54.840 0.168 0.000 0.822 554 L CB 1.387 43.543 42.059 0.162 0.000 1.285 554 L HN 0.197 nan 8.230 nan 0.000 0.409 555 D N 3.430 123.923 120.400 0.155 0.000 2.374 555 D HA 0.117 4.758 4.640 0.001 0.000 0.240 555 D C 0.862 177.240 176.300 0.129 0.000 1.229 555 D CA -0.074 54.007 54.000 0.134 0.000 0.895 555 D CB 0.891 41.747 40.800 0.094 0.000 1.046 555 D HN 0.732 nan 8.370 nan 0.000 0.498 556 C N 3.474 122.857 119.300 0.137 0.000 2.409 556 C HA -0.071 4.390 4.460 0.001 0.000 0.288 556 C C 2.556 177.582 174.990 0.061 0.000 1.395 556 C CA 0.116 59.192 59.018 0.096 0.000 1.792 556 C CB -0.946 26.826 27.740 0.055 0.000 1.847 556 C HN 0.672 nan 8.230 nan 0.000 0.534 557 L N 0.516 121.781 121.223 0.070 0.000 2.249 557 L HA -0.014 4.327 4.340 0.001 0.000 0.207 557 L C 2.649 179.567 176.870 0.080 0.000 1.090 557 L CA 1.867 56.751 54.840 0.073 0.000 0.802 557 L CB -0.458 41.661 42.059 0.099 0.000 0.947 557 L HN 0.490 nan 8.230 nan 0.000 0.453 558 T N -5.607 108.994 114.554 0.079 0.000 2.959 558 T HA 0.284 4.635 4.350 0.001 0.000 0.254 558 T C 1.421 176.161 174.700 0.068 0.000 1.003 558 T CA 0.531 62.674 62.100 0.072 0.000 0.950 558 T CB 1.062 69.970 68.868 0.068 0.000 1.090 558 T HN 0.332 nan 8.240 nan 0.000 0.503 559 G N 1.607 110.453 108.800 0.076 0.000 2.176 559 G HA2 -0.282 3.679 3.960 0.001 0.000 0.253 559 G HA3 -0.282 3.679 3.960 0.001 0.000 0.253 559 G C -0.108 174.832 174.900 0.068 0.000 0.979 559 G CA 0.313 45.458 45.100 0.076 0.000 0.641 559 G HN 0.913 nan 8.290 nan 0.000 0.530 560 E N 0.803 121.040 120.200 0.062 0.000 2.415 560 E HA 0.333 4.683 4.350 0.001 0.000 0.262 560 E C -0.048 176.573 176.600 0.035 0.000 1.038 560 E CA 0.026 56.454 56.400 0.047 0.000 0.921 560 E CB 0.280 30.006 29.700 0.043 0.000 0.950 560 E HN 0.410 nan 8.360 nan 0.000 0.438 561 E N 3.769 123.970 120.200 0.001 0.000 2.114 561 E HA 0.251 4.601 4.350 0.001 0.000 0.266 561 E C -0.901 175.555 176.600 -0.241 0.000 0.896 561 E CA -0.826 55.522 56.400 -0.087 0.000 0.750 561 E CB 1.257 30.920 29.700 -0.062 0.000 1.121 561 E HN 0.408 nan 8.360 nan 0.000 0.413 562 V N 1.804 121.597 119.914 -0.201 0.000 2.716 562 V HA 0.558 4.679 4.120 0.001 0.000 0.304 562 V C -0.520 175.392 176.094 -0.304 0.000 1.053 562 V CA -0.542 61.657 62.300 -0.168 0.000 0.984 562 V CB 1.605 33.449 31.823 0.035 0.000 1.021 562 V HN 0.634 nan 8.190 nan 0.000 0.467 563 H N 1.984 121.176 119.070 0.203 0.000 2.667 563 H HA 0.606 5.162 4.556 0.001 0.000 0.353 563 H C 0.174 175.649 175.328 0.245 0.000 1.072 563 H CA 0.007 56.181 56.048 0.209 0.000 1.214 563 H CB 2.159 31.982 29.762 0.102 0.000 1.600 563 H HN 1.112 nan 8.280 nan 0.000 0.527 564 G N 2.689 111.773 108.800 0.472 0.000 2.338 564 G HA2 0.348 4.309 3.960 0.001 0.000 0.298 564 G HA3 0.348 4.309 3.960 0.001 0.000 0.298 564 G C -0.233 174.809 174.900 0.236 0.000 1.140 564 G CA -0.737 44.592 45.100 0.383 0.000 0.860 564 G HN 0.463 nan 8.290 nan 0.000 0.470 565 K N 2.282 122.779 120.400 0.161 0.000 2.358 565 K HA 0.346 4.667 4.320 0.001 0.000 0.260 565 K C -0.097 176.557 176.600 0.090 0.000 0.956 565 K CA -0.752 55.599 56.287 0.107 0.000 0.834 565 K CB 1.614 34.161 32.500 0.079 0.000 1.102 565 K HN 0.698 nan 8.250 nan 0.000 0.431 566 Q N 1.399 121.246 119.800 0.080 0.000 2.463 566 Q HA -0.212 4.129 4.340 0.001 0.000 0.299 566 Q C 0.454 176.504 176.000 0.082 0.000 1.353 566 Q CA 0.820 56.664 55.803 0.068 0.000 0.828 566 Q CB -2.061 26.707 28.738 0.051 0.000 1.157 566 Q HN 1.286 nan 8.270 nan 0.000 0.436 567 G N -0.554 108.313 108.800 0.112 0.000 2.153 567 G HA2 -0.333 3.628 3.960 0.001 0.000 0.252 567 G HA3 -0.333 3.628 3.960 0.001 0.000 0.252 567 G C -0.104 174.872 174.900 0.128 0.000 0.994 567 G CA 0.752 45.930 45.100 0.130 0.000 0.698 567 G HN 0.409 nan 8.290 nan 0.000 0.521 568 Q N -1.274 118.595 119.800 0.116 0.000 2.372 568 Q HA 0.691 5.032 4.340 0.001 0.000 0.273 568 Q C -1.307 174.735 176.000 0.071 0.000 1.078 568 Q CA -1.031 54.818 55.803 0.076 0.000 0.806 568 Q CB 2.551 31.314 28.738 0.043 0.000 1.332 568 Q HN 0.249 nan 8.270 nan 0.000 0.435 569 L N 2.425 123.647 121.223 -0.001 0.000 2.319 569 L HA 0.402 4.743 4.340 0.001 0.000 0.281 569 L C -0.984 175.825 176.870 -0.102 0.000 1.005 569 L CA -0.176 54.639 54.840 -0.043 0.000 0.828 569 L CB 1.313 43.271 42.059 -0.169 0.000 1.227 569 L HN 0.431 nan 8.230 nan 0.000 0.415 570 K N 4.583 124.952 120.400 -0.052 0.000 2.248 570 K HA 0.562 4.883 4.320 0.001 0.000 0.281 570 K C -1.494 175.055 176.600 -0.085 0.000 1.054 570 K CA -0.516 55.727 56.287 -0.072 0.000 0.903 570 K CB 0.649 33.133 32.500 -0.028 0.000 1.077 570 K HN 0.496 nan 8.250 nan 0.000 0.474 571 L N 3.028 124.173 121.223 -0.130 0.000 2.381 571 L HA 0.424 4.765 4.340 0.001 0.000 0.268 571 L C -0.692 176.117 176.870 -0.102 0.000 0.997 571 L CA -0.308 54.459 54.840 -0.121 0.000 0.818 571 L CB 2.340 44.288 42.059 -0.184 0.000 1.310 571 L HN 0.606 nan 8.230 nan 0.000 0.416 572 T N 4.240 118.753 114.554 -0.068 0.000 2.864 572 T HA 0.597 4.947 4.350 0.001 0.000 0.299 572 T C -0.610 174.062 174.700 -0.046 0.000 1.011 572 T CA -0.456 61.611 62.100 -0.056 0.000 0.975 572 T CB 0.749 69.595 68.868 -0.037 0.000 0.962 572 T HN 0.105 nan 8.240 nan 0.000 0.448 573 L N 2.761 123.952 121.223 -0.054 0.000 2.344 573 L HA 0.595 4.936 4.340 0.001 0.000 0.272 573 L C 0.836 177.682 176.870 -0.040 0.000 1.035 573 L CA -0.721 54.096 54.840 -0.038 0.000 0.807 573 L CB 1.460 43.495 42.059 -0.040 0.000 1.237 573 L HN 0.484 nan 8.230 nan 0.000 0.442 574 R N 1.417 121.903 120.500 -0.024 0.000 2.546 574 R HA 0.346 4.687 4.340 0.001 0.000 0.266 574 R C -2.201 174.061 176.300 -0.063 0.000 1.086 574 R CA -1.608 54.473 56.100 -0.032 0.000 1.160 574 R CB 0.325 30.623 30.300 -0.003 0.000 1.138 574 R HN 0.347 nan 8.270 nan 0.000 0.567 575 P HA -0.089 nan 4.420 nan 0.000 0.261 575 P C -1.077 176.151 177.300 -0.120 0.000 1.183 575 P CA 0.793 63.747 63.100 -0.243 0.000 0.761 575 P CB -0.004 31.584 31.700 -0.186 0.000 0.785 576 Y N -0.621 119.680 120.300 0.002 0.000 3.825 576 Y HA -0.288 4.262 4.550 0.001 0.000 0.221 576 Y C 0.903 176.825 175.900 0.037 0.000 1.195 576 Y CA 0.267 58.379 58.100 0.019 0.000 1.699 576 Y CB -1.984 36.481 38.460 0.009 0.000 1.531 576 Y HN 0.443 nan 8.280 nan 0.000 0.640 577 Q N 1.192 121.059 119.800 0.111 0.000 2.259 577 Q HA 0.604 4.944 4.340 0.001 0.000 0.249 577 Q C 0.411 176.486 176.000 0.125 0.000 0.914 577 Q CA 0.035 55.901 55.803 0.104 0.000 0.904 577 Q CB 1.488 30.259 28.738 0.056 0.000 1.213 577 Q HN 0.365 nan 8.270 nan 0.000 0.428 578 G N 3.397 112.285 108.800 0.148 0.000 2.513 578 G HA2 0.617 4.578 3.960 0.001 0.000 0.317 578 G HA3 0.617 4.578 3.960 0.001 0.000 0.317 578 G C -1.087 173.890 174.900 0.129 0.000 1.277 578 G CA -0.725 44.474 45.100 0.164 0.000 0.955 578 G HN 0.615 nan 8.290 nan 0.000 0.484 579 M N 1.969 121.627 119.600 0.097 0.000 2.456 579 M HA 0.459 4.940 4.480 0.001 0.000 0.324 579 M C -0.890 175.454 176.300 0.074 0.000 1.124 579 M CA -0.814 54.532 55.300 0.076 0.000 0.959 579 M CB 2.576 35.200 32.600 0.039 0.000 1.692 579 M HN 0.150 nan 8.290 nan 0.000 0.444 580 I N 4.897 125.515 120.570 0.080 0.000 2.502 580 I HA 0.271 4.442 4.170 0.001 0.000 0.276 580 I C -0.955 175.237 176.117 0.125 0.000 1.057 580 I CA -0.527 60.817 61.300 0.073 0.000 1.163 580 I CB 0.692 38.723 38.000 0.052 0.000 1.288 580 I HN 0.483 nan 8.210 nan 0.000 0.479 581 L N 4.882 126.189 121.223 0.140 0.000 2.278 581 L HA 0.241 4.582 4.340 0.001 0.000 0.287 581 L C -0.358 176.729 176.870 0.361 0.000 1.072 581 L CA -0.083 54.893 54.840 0.228 0.000 0.819 581 L CB 0.591 42.736 42.059 0.143 0.000 1.176 581 L HN 0.556 nan 8.230 nan 0.000 0.435 582 W N 5.846 127.259 121.300 0.189 0.000 2.391 582 W HA 0.291 4.952 4.660 0.001 0.000 0.311 582 W C 1.191 177.821 176.519 0.186 0.000 1.087 582 W CA -1.062 56.379 57.345 0.160 0.000 1.209 582 W CB 0.781 30.284 29.460 0.073 0.000 1.273 582 W HN 0.664 nan 8.180 nan 0.000 0.482 583 N N 4.197 122.844 118.700 -0.088 0.000 2.551 583 N HA -0.002 4.739 4.740 0.001 0.000 0.199 583 N C 1.272 176.230 175.510 -0.919 0.000 1.277 583 N CA 0.901 53.662 53.050 -0.483 0.000 0.870 583 N CB -0.459 37.893 38.487 -0.225 0.000 1.028 583 N HN 0.985 nan 8.380 nan 0.000 0.452 584 G N -0.269 107.398 108.800 -1.887 0.000 2.175 584 G HA2 -0.315 3.645 3.960 0.001 0.000 0.265 584 G HA3 -0.315 3.645 3.960 0.001 0.000 0.265 584 G C 0.265 174.530 174.900 -1.059 0.000 0.979 584 G CA 0.433 44.259 45.100 -2.122 0.000 0.663 584 G HN 0.465 nan 8.290 nan 0.000 0.533 585 R N 0.000 120.166 120.500 -0.557 0.000 2.786 585 R HA 0.000 4.341 4.340 0.001 0.000 0.208 585 R CA 0.000 56.065 56.100 -0.059 0.000 0.921 585 R CB 0.000 30.203 30.300 -0.162 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535