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 2vgt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAQGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTDG 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 0.000 176.222 176.300 -0.129 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 K N 0.273 120.574 120.400 -0.166 0.000 2.380 2 K HA 0.230 4.565 4.320 0.026 0.000 0.200 2 K C 0.653 176.947 176.600 -0.511 0.000 1.201 2 K CA 0.723 56.774 56.287 -0.394 0.000 0.916 2 K CB 0.587 32.753 32.500 -0.558 0.000 1.187 2 K HN 0.684 nan 8.250 nan 0.000 0.498 3 Y N 0.341 120.564 120.300 -0.128 0.000 2.441 3 Y HA -0.004 4.549 4.550 0.006 0.000 0.288 3 Y C 1.901 177.721 175.900 -0.134 0.000 1.118 3 Y CA 0.018 58.050 58.100 -0.113 0.000 1.215 3 Y CB -0.038 38.377 38.460 -0.075 0.000 1.118 3 Y HN -0.028 nan 8.280 nan 0.000 0.547 4 L N 1.564 122.786 121.223 -0.001 0.000 2.012 4 L HA -0.089 4.266 4.340 0.026 0.000 0.210 4 L C -0.910 175.841 176.870 -0.199 0.000 1.073 4 L CA 2.042 56.854 54.840 -0.047 0.000 0.748 4 L CB -1.580 40.501 42.059 0.036 0.000 0.891 4 L HN -0.008 nan 8.230 nan 0.000 0.431 5 P HA -0.216 nan 4.420 nan 0.000 0.216 5 P C 1.432 178.569 177.300 -0.272 0.000 1.150 5 P CA 1.449 64.099 63.100 -0.750 0.000 0.843 5 P CB 0.057 31.102 31.700 -1.091 0.000 0.787 6 Q N -0.425 119.252 119.800 -0.205 0.000 2.062 6 Q HA -0.166 4.190 4.340 0.026 0.000 0.196 6 Q C 2.347 178.321 176.000 -0.044 0.000 0.967 6 Q CA 1.488 57.229 55.803 -0.103 0.000 0.832 6 Q CB -0.873 27.807 28.738 -0.097 0.000 0.899 6 Q HN 0.003 nan 8.270 nan 0.000 0.442 7 Q N 0.316 120.100 119.800 -0.025 0.000 2.079 7 Q HA -0.076 4.279 4.340 0.026 0.000 0.200 7 Q C -0.353 175.653 176.000 0.010 0.000 0.974 7 Q CA 1.699 57.504 55.803 0.004 0.000 0.840 7 Q CB 0.205 28.956 28.738 0.021 0.000 0.898 7 Q HN 0.235 nan 8.270 nan 0.000 0.430 8 D N -1.399 119.011 120.400 0.018 0.000 2.429 8 D HA 0.210 4.865 4.640 0.026 0.000 0.255 8 D C -2.247 174.105 176.300 0.087 0.000 1.257 8 D CA -1.782 52.246 54.000 0.046 0.000 0.890 8 D CB 1.300 42.132 40.800 0.052 0.000 1.267 8 D HN -0.029 nan 8.370 nan 0.000 0.521 9 P HA -0.161 nan 4.420 nan 0.000 0.216 9 P C 1.409 178.788 177.300 0.132 0.000 1.153 9 P CA 1.279 64.452 63.100 0.121 0.000 0.858 9 P CB 0.534 32.278 31.700 0.073 0.000 0.789 10 Q N -0.837 119.012 119.800 0.081 0.000 2.050 10 Q HA -0.106 4.250 4.340 0.026 0.000 0.202 10 Q C 2.144 178.181 176.000 0.061 0.000 0.980 10 Q CA 1.349 57.186 55.803 0.057 0.000 0.840 10 Q CB -0.776 27.984 28.738 0.036 0.000 0.898 10 Q HN 0.103 nan 8.270 nan 0.000 0.424 11 V N 0.475 120.435 119.914 0.078 0.000 2.358 11 V HA -0.233 3.903 4.120 0.026 0.000 0.246 11 V C 1.923 178.081 176.094 0.107 0.000 1.047 11 V CA 1.649 63.995 62.300 0.076 0.000 1.035 11 V CB -0.581 31.285 31.823 0.073 0.000 0.658 11 V HN 0.312 nan 8.190 nan 0.000 0.452 12 F N 1.635 121.586 119.950 0.002 0.000 2.126 12 F HA -0.178 4.354 4.527 0.008 0.000 0.299 12 F C 2.278 178.078 175.800 -0.000 0.000 1.096 12 F CA 1.397 59.398 58.000 0.001 0.000 1.255 12 F CB -0.655 38.344 39.000 -0.000 0.000 0.997 12 F HN 0.080 nan 8.300 nan 0.000 0.479 13 A N 0.244 123.023 122.820 -0.068 0.000 1.902 13 A HA -0.059 4.276 4.320 0.026 0.000 0.217 13 A C 2.421 179.903 177.584 -0.169 0.000 1.181 13 A CA 1.892 53.832 52.037 -0.161 0.000 0.623 13 A CB -1.544 17.439 19.000 -0.029 0.000 0.818 13 A HN 0.497 nan 8.150 nan 0.000 0.443 14 A N -0.203 122.561 122.820 -0.094 0.000 1.898 14 A HA -0.016 4.320 4.320 0.026 0.000 0.216 14 A C 2.111 179.637 177.584 -0.096 0.000 1.181 14 A CA 1.371 53.366 52.037 -0.071 0.000 0.620 14 A CB -0.555 18.427 19.000 -0.029 0.000 0.819 14 A HN 0.483 nan 8.150 nan 0.000 0.442 15 I N -0.316 120.183 120.570 -0.117 0.000 2.226 15 I HA -0.226 3.959 4.170 0.026 0.000 0.245 15 I C 2.472 178.477 176.117 -0.187 0.000 1.100 15 I CA 1.263 62.493 61.300 -0.116 0.000 1.374 15 I CB -0.312 37.649 38.000 -0.065 0.000 1.057 15 I HN 0.302 nan 8.210 nan 0.000 0.413 16 E N 0.609 120.594 120.200 -0.358 0.000 2.077 16 E HA -0.248 4.118 4.350 0.026 0.000 0.193 16 E C 2.155 178.643 176.600 -0.187 0.000 0.989 16 E CA 1.221 57.408 56.400 -0.354 0.000 0.800 16 E CB -0.289 29.063 29.700 -0.580 0.000 0.746 16 E HN 0.589 nan 8.360 nan 0.000 0.452 17 Q N 0.322 120.031 119.800 -0.151 0.000 2.061 17 Q HA -0.228 4.127 4.340 0.026 0.000 0.204 17 Q C 2.167 178.136 176.000 -0.052 0.000 0.984 17 Q CA 1.790 57.544 55.803 -0.082 0.000 0.846 17 Q CB -0.137 28.563 28.738 -0.063 0.000 0.902 17 Q HN 0.107 nan 8.270 nan 0.000 0.421 18 E N 0.974 121.143 120.200 -0.051 0.000 2.077 18 E HA -0.193 4.173 4.350 0.026 0.000 0.193 18 E C 1.823 178.420 176.600 -0.005 0.000 0.989 18 E CA 1.313 57.703 56.400 -0.018 0.000 0.800 18 E CB -0.080 29.612 29.700 -0.014 0.000 0.746 18 E HN 0.174 nan 8.360 nan 0.000 0.452 19 R N 0.227 120.709 120.500 -0.031 0.000 2.083 19 R HA -0.143 4.213 4.340 0.026 0.000 0.237 19 R C 2.158 178.452 176.300 -0.011 0.000 1.137 19 R CA 1.968 58.054 56.100 -0.023 0.000 0.951 19 R CB -0.076 30.192 30.300 -0.054 0.000 0.851 19 R HN 0.084 nan 8.270 nan 0.000 0.434 20 K N -0.289 120.097 120.400 -0.023 0.000 2.097 20 K HA -0.134 4.202 4.320 0.026 0.000 0.205 20 K C 2.268 178.896 176.600 0.048 0.000 1.050 20 K CA 1.112 57.403 56.287 0.006 0.000 0.938 20 K CB -0.177 32.312 32.500 -0.019 0.000 0.718 20 K HN 0.132 nan 8.250 nan 0.000 0.442 21 R N 1.541 122.058 120.500 0.028 0.000 2.083 21 R HA -0.194 4.161 4.340 0.026 0.000 0.237 21 R C 2.129 178.460 176.300 0.053 0.000 1.137 21 R CA 1.764 57.886 56.100 0.037 0.000 0.951 21 R CB -0.073 30.243 30.300 0.027 0.000 0.851 21 R HN 0.291 nan 8.270 nan 0.000 0.434 22 Q N -1.316 118.523 119.800 0.065 0.000 2.181 22 Q HA -0.241 4.114 4.340 0.026 0.000 0.205 22 Q C 1.944 177.933 176.000 -0.019 0.000 0.980 22 Q CA 1.959 57.817 55.803 0.091 0.000 0.862 22 Q CB -0.182 28.634 28.738 0.131 0.000 0.905 22 Q HN 0.544 nan 8.270 nan 0.000 0.429 23 H N -0.321 118.687 119.070 -0.102 0.000 2.395 23 H HA 0.058 4.629 4.556 0.025 0.000 0.299 23 H C 1.760 177.059 175.328 -0.048 0.000 1.070 23 H CA 1.483 57.459 56.048 -0.120 0.000 1.356 23 H CB 0.078 29.782 29.762 -0.097 0.000 1.401 23 H HN 0.216 nan 8.280 nan 0.000 0.524 24 A N 0.908 123.704 122.820 -0.039 0.000 1.970 24 A HA 0.061 4.396 4.320 0.026 0.000 0.216 24 A C 0.975 178.528 177.584 -0.052 0.000 1.170 24 A CA 0.420 52.428 52.037 -0.047 0.000 0.645 24 A CB 0.036 19.064 19.000 0.046 0.000 0.816 24 A HN 0.158 nan 8.150 nan 0.000 0.447 25 K N -0.118 120.269 120.400 -0.021 0.000 2.098 25 K HA 0.486 4.821 4.320 0.026 0.000 0.257 25 K C -0.726 175.876 176.600 0.003 0.000 0.999 25 K CA -0.346 55.945 56.287 0.007 0.000 0.924 25 K CB 0.987 33.505 32.500 0.030 0.000 1.028 25 K HN 0.243 nan 8.250 nan 0.000 0.466 26 I N 2.107 122.692 120.570 0.024 0.000 2.291 26 I HA 0.018 4.204 4.170 0.026 0.000 0.292 26 I C 0.406 176.532 176.117 0.016 0.000 1.064 26 I CA -0.546 60.766 61.300 0.020 0.000 1.269 26 I CB 0.597 38.645 38.000 0.080 0.000 1.418 26 I HN 0.404 nan 8.210 nan 0.000 0.485 27 E N 7.290 127.499 120.200 0.016 0.000 2.070 27 E HA 0.204 4.569 4.350 0.026 0.000 0.282 27 E C -0.062 176.527 176.600 -0.017 0.000 1.104 27 E CA 0.194 56.606 56.400 0.020 0.000 0.876 27 E CB 0.523 30.259 29.700 0.060 0.000 1.055 27 E HN 0.579 nan 8.360 nan 0.000 0.401 28 L N 4.970 126.187 121.223 -0.010 0.000 2.808 28 L HA 0.277 4.632 4.340 0.026 0.000 0.246 28 L C 0.109 176.976 176.870 -0.006 0.000 1.153 28 L CA -0.500 54.334 54.840 -0.010 0.000 0.956 28 L CB 0.160 42.214 42.059 -0.008 0.000 1.270 28 L HN 0.517 nan 8.230 nan 0.000 0.528 29 I N 1.474 122.040 120.570 -0.008 0.000 2.664 29 I HA -0.083 4.103 4.170 0.026 0.000 0.284 29 I C 1.718 177.856 176.117 0.035 0.000 1.154 29 I CA 0.411 61.716 61.300 0.010 0.000 1.402 29 I CB 0.662 38.663 38.000 0.003 0.000 1.395 29 I HN 0.140 nan 8.210 nan 0.000 0.545 30 A N 5.548 128.420 122.820 0.087 0.000 2.019 30 A HA -0.144 4.192 4.320 0.026 0.000 0.219 30 A C 2.019 179.747 177.584 0.240 0.000 1.164 30 A CA 1.817 53.962 52.037 0.180 0.000 0.644 30 A CB -0.366 18.737 19.000 0.171 0.000 0.805 30 A HN 0.805 nan 8.150 nan 0.000 0.449 31 S N -0.939 114.846 115.700 0.142 0.000 2.575 31 S HA 0.177 4.662 4.470 0.026 0.000 0.215 31 S C 0.415 174.987 174.600 -0.047 0.000 0.966 31 S CA -0.290 57.872 58.200 -0.064 0.000 0.911 31 S CB 0.064 63.241 63.200 -0.038 0.000 0.780 31 S HN 0.618 nan 8.310 nan 0.000 0.514 32 E N 1.217 121.388 120.200 -0.047 0.000 2.250 32 E HA 0.523 4.888 4.350 0.026 0.000 0.269 32 E C -0.575 175.894 176.600 -0.217 0.000 1.018 32 E CA -0.693 55.630 56.400 -0.129 0.000 0.873 32 E CB 0.728 30.330 29.700 -0.163 0.000 1.134 32 E HN 0.155 nan 8.360 nan 0.000 0.403 33 N N 0.115 118.606 118.700 -0.347 0.000 3.106 33 N HA 0.354 5.110 4.740 0.026 0.000 0.253 33 N C -1.921 173.193 175.510 -0.661 0.000 1.506 33 N CA -0.549 52.250 53.050 -0.419 0.000 0.876 33 N CB 0.989 39.416 38.487 -0.100 0.000 1.452 33 N HN 0.200 nan 8.380 nan 0.000 0.542 34 F N 1.044 120.997 119.950 0.005 0.000 2.460 34 F HA 0.372 4.910 4.527 0.018 0.000 0.341 34 F C 0.689 176.479 175.800 -0.016 0.000 1.130 34 F CA -0.895 57.099 58.000 -0.010 0.000 0.962 34 F CB 1.178 40.164 39.000 -0.022 0.000 1.171 34 F HN 0.130 nan 8.300 nan 0.000 0.436 35 V N 0.399 120.399 119.914 0.143 0.000 3.003 35 V HA 0.633 4.769 4.120 0.026 0.000 0.305 35 V C 0.420 176.555 176.094 0.068 0.000 1.078 35 V CA -0.845 61.500 62.300 0.075 0.000 1.083 35 V CB 1.062 32.910 31.823 0.041 0.000 1.039 35 V HN 0.835 nan 8.190 nan 0.000 0.481 36 S N 3.086 118.807 115.700 0.034 0.000 2.600 36 S HA 0.310 4.795 4.470 0.026 0.000 0.265 36 S C 0.948 175.559 174.600 0.018 0.000 1.325 36 S CA -0.173 58.040 58.200 0.022 0.000 1.002 36 S CB 0.588 63.794 63.200 0.010 0.000 0.921 36 S HN 0.774 nan 8.310 nan 0.000 0.554 37 R N 0.865 121.373 120.500 0.013 0.000 2.096 37 R HA -0.089 4.266 4.340 0.026 0.000 0.235 37 R C 2.592 178.896 176.300 0.005 0.000 1.127 37 R CA 1.320 57.426 56.100 0.010 0.000 0.968 37 R CB -1.045 29.260 30.300 0.007 0.000 0.861 37 R HN 0.829 nan 8.270 nan 0.000 0.440 38 A N 0.807 123.627 122.820 0.000 0.000 1.908 38 A HA -0.131 4.205 4.320 0.026 0.000 0.218 38 A C 2.368 179.943 177.584 -0.015 0.000 1.181 38 A CA 1.447 53.480 52.037 -0.007 0.000 0.627 38 A CB -0.556 18.438 19.000 -0.009 0.000 0.818 38 A HN 0.118 nan 8.150 nan 0.000 0.445 39 V N -0.175 119.729 119.914 -0.017 0.000 2.295 39 V HA -0.328 3.807 4.120 0.026 0.000 0.246 39 V C 2.654 178.736 176.094 -0.020 0.000 1.049 39 V CA 2.339 64.621 62.300 -0.031 0.000 1.024 39 V CB -0.657 31.147 31.823 -0.031 0.000 0.648 39 V HN 0.588 nan 8.190 nan 0.000 0.447 40 M N -0.826 118.773 119.600 -0.003 0.000 2.132 40 M HA -0.197 4.298 4.480 0.026 0.000 0.263 40 M C 2.207 178.512 176.300 0.009 0.000 1.065 40 M CA 1.803 57.107 55.300 0.007 0.000 1.122 40 M CB -0.504 32.107 32.600 0.018 0.000 1.365 40 M HN 0.354 nan 8.290 nan 0.000 0.411 41 E N 0.419 120.623 120.200 0.006 0.000 2.085 41 E HA -0.204 4.162 4.350 0.026 0.000 0.194 41 E C 2.060 178.662 176.600 0.003 0.000 0.994 41 E CA 1.398 57.801 56.400 0.006 0.000 0.801 41 E CB -0.163 29.538 29.700 0.002 0.000 0.743 41 E HN 0.520 nan 8.360 nan 0.000 0.453 42 A N 1.078 123.895 122.820 -0.005 0.000 1.902 42 A HA -0.233 4.102 4.320 0.026 0.000 0.217 42 A C 2.031 179.627 177.584 0.021 0.000 1.181 42 A CA 1.279 53.312 52.037 -0.006 0.000 0.623 42 A CB -0.355 18.626 19.000 -0.032 0.000 0.818 42 A HN 0.187 nan 8.150 nan 0.000 0.443 43 Q N -0.955 118.856 119.800 0.019 0.000 2.224 43 Q HA -0.080 4.276 4.340 0.026 0.000 0.203 43 Q C 1.693 177.759 176.000 0.109 0.000 0.970 43 Q CA 1.028 56.870 55.803 0.064 0.000 0.865 43 Q CB -0.268 28.483 28.738 0.021 0.000 0.922 43 Q HN 0.651 nan 8.270 nan 0.000 0.445 44 G N 1.203 110.032 108.800 0.047 0.000 3.327 44 G HA2 0.046 4.021 3.960 0.026 0.000 0.240 44 G HA3 0.046 4.021 3.960 0.026 0.000 0.240 44 G C 0.300 175.195 174.900 -0.008 0.000 1.222 44 G CA 0.001 45.113 45.100 0.021 0.000 0.871 44 G HN 0.250 nan 8.290 nan 0.000 0.525 45 S N -0.869 114.830 115.700 -0.002 0.000 2.707 45 S HA 0.296 4.781 4.470 0.026 0.000 0.276 45 S C 1.577 176.133 174.600 -0.074 0.000 1.179 45 S CA 0.029 58.213 58.200 -0.026 0.000 0.992 45 S CB 1.487 64.684 63.200 -0.005 0.000 1.030 45 S HN 0.530 nan 8.310 nan 0.000 0.554 46 V N -0.919 118.950 119.914 -0.074 0.000 3.241 46 V HA 0.007 4.142 4.120 0.026 0.000 0.269 46 V C 1.680 177.712 176.094 -0.104 0.000 1.151 46 V CA 0.939 63.181 62.300 -0.096 0.000 1.158 46 V CB -1.429 30.349 31.823 -0.075 0.000 0.764 46 V HN 0.683 nan 8.190 nan 0.000 0.508 47 L N 0.905 122.085 121.223 -0.072 0.000 2.353 47 L HA -0.075 4.281 4.340 0.026 0.000 0.220 47 L C 2.743 179.542 176.870 -0.118 0.000 1.133 47 L CA 2.244 57.058 54.840 -0.044 0.000 0.798 47 L CB -1.294 40.786 42.059 0.036 0.000 0.922 47 L HN 0.514 nan 8.230 nan 0.000 0.445 48 T N -0.970 113.366 114.554 -0.363 0.000 2.897 48 T HA -0.191 4.175 4.350 0.026 0.000 0.271 48 T C 1.587 176.092 174.700 -0.325 0.000 1.084 48 T CA 1.780 63.500 62.100 -0.634 0.000 1.123 48 T CB -0.389 67.930 68.868 -0.916 0.000 0.865 48 T HN 0.531 nan 8.240 nan 0.000 0.496 49 N N -0.096 118.470 118.700 -0.223 0.000 2.512 49 N HA 0.018 4.773 4.740 0.026 0.000 0.183 49 N C 0.358 175.776 175.510 -0.153 0.000 1.073 49 N CA 0.230 53.181 53.050 -0.166 0.000 0.911 49 N CB 0.144 38.561 38.487 -0.117 0.000 0.964 49 N HN 0.116 nan 8.380 nan 0.000 0.447 50 K N 0.797 121.101 120.400 -0.160 0.000 2.263 50 K HA 0.154 4.490 4.320 0.026 0.000 0.272 50 K C -1.471 174.984 176.600 -0.241 0.000 1.033 50 K CA -0.524 55.676 56.287 -0.145 0.000 0.884 50 K CB 0.160 32.613 32.500 -0.079 0.000 1.107 50 K HN -0.075 nan 8.250 nan 0.000 0.460 51 Y N 2.400 122.494 120.300 -0.343 0.000 2.402 51 Y HA 0.313 4.883 4.550 0.033 0.000 0.333 51 Y C 0.551 176.120 175.900 -0.552 0.000 1.076 51 Y CA 0.367 58.118 58.100 -0.582 0.000 1.299 51 Y CB 1.265 39.050 38.460 -1.126 0.000 1.197 51 Y HN 0.710 nan 8.280 nan 0.000 0.517 52 A N 4.837 127.600 122.820 -0.095 0.000 3.045 52 A HA 0.233 4.568 4.320 0.026 0.000 0.244 52 A C -0.267 177.325 177.584 0.014 0.000 0.917 52 A CA -0.620 51.421 52.037 0.007 0.000 1.075 52 A CB -0.195 18.776 19.000 -0.048 0.000 1.202 52 A HN 0.768 nan 8.150 nan 0.000 0.486 53 Q N 0.182 120.081 119.800 0.165 0.000 2.349 53 Q HA 0.389 4.744 4.340 0.026 0.000 0.287 53 Q C 0.962 176.835 176.000 -0.212 0.000 1.044 53 Q CA 1.455 57.106 55.803 -0.253 0.000 0.918 53 Q CB 0.666 29.248 28.738 -0.260 0.000 1.242 53 Q HN 1.270 nan 8.270 nan 0.000 0.405 54 G N 1.009 109.487 108.800 -0.536 0.000 2.451 54 G HA2 -0.225 3.750 3.960 0.026 0.000 0.208 54 G HA3 -0.225 3.750 3.960 0.026 0.000 0.208 54 G C -1.608 172.982 174.900 -0.516 0.000 1.248 54 G CA -0.733 44.296 45.100 -0.118 0.000 0.989 54 G HN 0.529 nan 8.290 nan 0.000 0.559 55 Y N -0.015 120.313 120.300 0.047 0.000 2.605 55 Y HA 0.597 5.163 4.550 0.027 0.000 0.343 55 Y C -2.056 173.849 175.900 0.007 0.000 1.036 55 Y CA -1.818 56.311 58.100 0.049 0.000 1.065 55 Y CB 2.131 40.650 38.460 0.098 0.000 1.288 55 Y HN 0.427 nan 8.280 nan 0.000 0.481 56 P HA 0.034 nan 4.420 nan 0.000 0.260 56 P C 0.613 177.951 177.300 0.062 0.000 1.172 56 P CA 2.067 65.218 63.100 0.085 0.000 0.760 56 P CB 0.232 31.987 31.700 0.093 0.000 0.773 57 G N 3.150 111.958 108.800 0.013 0.000 2.189 57 G HA2 -0.278 3.697 3.960 0.026 0.000 0.267 57 G HA3 -0.278 3.697 3.960 0.026 0.000 0.267 57 G C 0.527 175.413 174.900 -0.024 0.000 0.975 57 G CA -0.155 44.941 45.100 -0.007 0.000 0.644 57 G HN 0.557 nan 8.290 nan 0.000 0.537 58 R N -0.084 120.398 120.500 -0.029 0.000 2.648 58 R HA 0.248 4.603 4.340 0.026 0.000 0.341 58 R C 0.432 176.581 176.300 -0.253 0.000 1.154 58 R CA -0.438 55.604 56.100 -0.098 0.000 1.228 58 R CB 0.319 30.623 30.300 0.006 0.000 1.311 58 R HN 0.277 nan 8.270 nan 0.000 0.659 59 R N -0.087 120.266 120.500 -0.245 0.000 2.549 59 R HA 0.288 4.643 4.340 0.026 0.000 0.267 59 R C 0.341 176.373 176.300 -0.446 0.000 1.045 59 R CA -0.392 55.556 56.100 -0.252 0.000 1.115 59 R CB 0.571 30.840 30.300 -0.052 0.000 1.121 59 R HN 0.124 nan 8.270 nan 0.000 0.543 60 Y N -0.415 119.876 120.300 -0.014 0.000 2.524 60 Y HA 0.252 4.817 4.550 0.024 0.000 0.266 60 Y C -0.431 175.217 175.900 -0.421 0.000 1.180 60 Y CA -0.107 57.882 58.100 -0.186 0.000 1.244 60 Y CB 0.260 38.592 38.460 -0.215 0.000 1.125 60 Y HN 0.387 nan 8.280 nan 0.000 0.524 61 Y N -0.929 119.397 120.300 0.043 0.000 2.492 61 Y HA 0.602 5.170 4.550 0.030 0.000 0.346 61 Y C 0.797 176.693 175.900 -0.007 0.000 0.997 61 Y CA -1.887 56.228 58.100 0.025 0.000 1.025 61 Y CB 1.235 39.717 38.460 0.037 0.000 1.263 61 Y HN -0.023 nan 8.280 nan 0.000 0.454 62 G N 0.108 108.994 108.800 0.144 0.000 2.684 62 G HA2 0.382 4.357 3.960 0.026 0.000 0.255 62 G HA3 0.382 4.357 3.960 0.026 0.000 0.255 62 G C 0.867 175.802 174.900 0.060 0.000 1.219 62 G CA 0.004 45.145 45.100 0.068 0.000 0.901 62 G HN 1.483 nan 8.290 nan 0.000 0.548 63 G N -2.260 106.542 108.800 0.004 0.000 2.153 63 G HA2 -0.291 3.684 3.960 0.026 0.000 0.252 63 G HA3 -0.291 3.684 3.960 0.026 0.000 0.252 63 G C 0.886 175.755 174.900 -0.051 0.000 0.994 63 G CA 0.592 45.681 45.100 -0.019 0.000 0.698 63 G HN 0.944 nan 8.290 nan 0.000 0.521 64 C N 0.236 119.498 119.300 -0.063 0.000 2.673 64 C HA 0.337 4.812 4.460 0.026 0.000 0.274 64 C C 2.268 177.171 174.990 -0.145 0.000 1.276 64 C CA 0.420 59.399 59.018 -0.065 0.000 1.701 64 C CB -0.570 27.157 27.740 -0.021 0.000 1.836 64 C HN 0.651 nan 8.230 nan 0.000 0.596 65 E N 0.834 120.848 120.200 -0.309 0.000 2.097 65 E HA -0.213 4.153 4.350 0.026 0.000 0.196 65 E C 1.241 177.609 176.600 -0.387 0.000 1.000 65 E CA 1.857 57.994 56.400 -0.439 0.000 0.804 65 E CB -0.251 29.026 29.700 -0.704 0.000 0.740 65 E HN 0.800 nan 8.360 nan 0.000 0.454 66 Y N -0.552 119.749 120.300 0.003 0.000 2.269 66 Y HA -0.078 4.487 4.550 0.025 0.000 0.294 66 Y C 2.389 178.288 175.900 -0.002 0.000 1.120 66 Y CA 0.499 58.599 58.100 -0.001 0.000 1.159 66 Y CB -0.441 38.016 38.460 -0.005 0.000 1.024 66 Y HN 0.013 nan 8.280 nan 0.000 0.532 67 V N -1.627 118.347 119.914 0.101 0.000 2.594 67 V HA -0.215 3.921 4.120 0.026 0.000 0.253 67 V C 1.368 177.478 176.094 0.027 0.000 1.069 67 V CA 2.068 64.397 62.300 0.050 0.000 1.082 67 V CB -0.503 31.333 31.823 0.020 0.000 0.680 67 V HN 0.202 nan 8.190 nan 0.000 0.469 68 D N 0.923 121.328 120.400 0.008 0.000 2.117 68 D HA -0.082 4.573 4.640 0.026 0.000 0.197 68 D C 2.051 178.370 176.300 0.032 0.000 0.987 68 D CA 1.950 55.956 54.000 0.011 0.000 0.829 68 D CB -0.273 40.518 40.800 -0.015 0.000 0.961 68 D HN 0.541 nan 8.370 nan 0.000 0.460 69 I N 0.170 120.766 120.570 0.043 0.000 2.179 69 I HA -0.231 3.954 4.170 0.026 0.000 0.242 69 I C 2.356 178.504 176.117 0.052 0.000 1.088 69 I CA 0.562 61.897 61.300 0.058 0.000 1.357 69 I CB -0.143 37.912 38.000 0.091 0.000 1.051 69 I HN -0.098 nan 8.210 nan 0.000 0.409 70 V N 0.708 120.652 119.914 0.051 0.000 2.255 70 V HA -0.337 3.798 4.120 0.026 0.000 0.247 70 V C 2.488 178.600 176.094 0.030 0.000 1.051 70 V CA 2.358 64.678 62.300 0.033 0.000 1.018 70 V CB -0.678 31.160 31.823 0.025 0.000 0.641 70 V HN 0.490 nan 8.190 nan 0.000 0.445 71 E N -0.191 120.030 120.200 0.034 0.000 2.110 71 E HA -0.289 4.076 4.350 0.026 0.000 0.193 71 E C 2.158 178.798 176.600 0.067 0.000 0.988 71 E CA 1.501 57.929 56.400 0.047 0.000 0.804 71 E CB -0.043 29.687 29.700 0.051 0.000 0.745 71 E HN 0.596 nan 8.360 nan 0.000 0.458 72 E N 0.363 120.600 120.200 0.061 0.000 2.106 72 E HA -0.118 4.247 4.350 0.026 0.000 0.192 72 E C 2.007 178.645 176.600 0.063 0.000 0.984 72 E CA 0.785 57.222 56.400 0.062 0.000 0.806 72 E CB -0.162 29.569 29.700 0.053 0.000 0.750 72 E HN 0.308 nan 8.360 nan 0.000 0.458 73 L N -0.172 121.086 121.223 0.058 0.000 2.012 73 L HA -0.242 4.113 4.340 0.026 0.000 0.210 73 L C 2.473 179.406 176.870 0.103 0.000 1.073 73 L CA 1.405 56.283 54.840 0.063 0.000 0.748 73 L CB -0.639 41.445 42.059 0.043 0.000 0.891 73 L HN 0.213 nan 8.230 nan 0.000 0.431 74 A N -0.074 122.812 122.820 0.110 0.000 1.883 74 A HA -0.219 4.117 4.320 0.026 0.000 0.217 74 A C 2.386 180.147 177.584 0.296 0.000 1.186 74 A CA 1.663 53.834 52.037 0.224 0.000 0.624 74 A CB -0.498 18.567 19.000 0.109 0.000 0.822 74 A HN 0.337 nan 8.150 nan 0.000 0.444 75 R N -0.747 119.844 120.500 0.152 0.000 2.066 75 R HA -0.081 4.274 4.340 0.026 0.000 0.232 75 R C 2.071 178.396 176.300 0.042 0.000 1.131 75 R CA 1.287 57.433 56.100 0.076 0.000 0.955 75 R CB -0.287 30.028 30.300 0.026 0.000 0.851 75 R HN 0.480 nan 8.270 nan 0.000 0.432 76 E N 0.681 120.913 120.200 0.053 0.000 2.106 76 E HA -0.134 4.231 4.350 0.026 0.000 0.192 76 E C 2.032 178.645 176.600 0.022 0.000 0.984 76 E CA 1.067 57.486 56.400 0.032 0.000 0.806 76 E CB -0.070 29.650 29.700 0.034 0.000 0.750 76 E HN 0.297 nan 8.360 nan 0.000 0.458 77 R N 0.569 121.106 120.500 0.061 0.000 2.092 77 R HA -0.018 4.337 4.340 0.026 0.000 0.231 77 R C 2.335 178.584 176.300 -0.084 0.000 1.119 77 R CA 1.142 57.267 56.100 0.041 0.000 0.970 77 R CB -0.290 30.103 30.300 0.155 0.000 0.864 77 R HN 0.093 nan 8.270 nan 0.000 0.440 78 A N 1.480 124.219 122.820 -0.134 0.000 1.902 78 A HA -0.192 4.144 4.320 0.026 0.000 0.217 78 A C 1.883 179.411 177.584 -0.093 0.000 1.181 78 A CA 1.405 53.247 52.037 -0.325 0.000 0.623 78 A CB -0.221 18.586 19.000 -0.322 0.000 0.818 78 A HN 0.182 nan 8.150 nan 0.000 0.443 79 K N -0.548 119.822 120.400 -0.050 0.000 2.057 79 K HA -0.144 4.191 4.320 0.026 0.000 0.206 79 K C 2.357 178.937 176.600 -0.032 0.000 1.050 79 K CA 1.558 57.837 56.287 -0.014 0.000 0.935 79 K CB -0.189 32.307 32.500 -0.007 0.000 0.715 79 K HN 0.594 nan 8.250 nan 0.000 0.439 80 Q N 0.626 120.389 119.800 -0.061 0.000 2.061 80 Q HA -0.152 4.203 4.340 0.026 0.000 0.204 80 Q C 2.192 178.100 176.000 -0.153 0.000 0.984 80 Q CA 1.310 57.064 55.803 -0.081 0.000 0.846 80 Q CB -0.131 28.563 28.738 -0.073 0.000 0.902 80 Q HN 0.297 nan 8.270 nan 0.000 0.421 81 L N -0.958 120.099 121.223 -0.277 0.000 2.012 81 L HA -0.183 4.172 4.340 0.026 0.000 0.210 81 L C 1.523 178.021 176.870 -0.621 0.000 1.073 81 L CA 1.257 55.758 54.840 -0.565 0.000 0.748 81 L CB -0.059 41.425 42.059 -0.958 0.000 0.891 81 L HN 0.218 nan 8.230 nan 0.000 0.431 82 F N -1.351 118.531 119.950 -0.114 0.000 2.682 82 F HA 0.319 4.860 4.527 0.023 0.000 0.308 82 F C 1.573 177.336 175.800 -0.061 0.000 1.093 82 F CA 0.335 58.284 58.000 -0.085 0.000 1.244 82 F CB 0.142 39.072 39.000 -0.117 0.000 1.052 82 F HN 0.066 nan 8.300 nan 0.000 0.573 83 G N 1.246 110.085 108.800 0.065 0.000 2.198 83 G HA2 -0.121 3.854 3.960 0.026 0.000 0.260 83 G HA3 -0.121 3.854 3.960 0.026 0.000 0.260 83 G C 0.294 175.216 174.900 0.036 0.000 1.025 83 G CA 0.054 45.173 45.100 0.033 0.000 0.769 83 G HN 0.650 nan 8.290 nan 0.000 0.507 84 A N -0.725 122.127 122.820 0.054 0.000 2.322 84 A HA 0.738 5.073 4.320 0.026 0.000 0.269 84 A C 1.067 178.673 177.584 0.035 0.000 1.094 84 A CA 0.522 52.581 52.037 0.037 0.000 0.807 84 A CB 0.529 19.549 19.000 0.032 0.000 1.047 84 A HN 0.414 nan 8.150 nan 0.000 0.487 85 E N -0.666 119.562 120.200 0.047 0.000 2.216 85 E HA -0.020 4.345 4.350 0.026 0.000 0.192 85 E C -0.201 176.478 176.600 0.130 0.000 0.988 85 E CA 0.889 57.326 56.400 0.062 0.000 0.834 85 E CB 0.092 29.816 29.700 0.041 0.000 0.772 85 E HN 0.749 nan 8.360 nan 0.000 0.479 86 H N -1.096 117.984 119.070 0.017 0.000 2.974 86 H HA 0.548 5.121 4.556 0.027 0.000 0.366 86 H C -1.792 173.554 175.328 0.031 0.000 1.155 86 H CA -0.547 55.515 56.048 0.024 0.000 1.186 86 H CB 1.631 31.411 29.762 0.030 0.000 1.799 86 H HN -0.018 nan 8.280 nan 0.000 0.541 87 A N 3.868 126.339 122.820 -0.581 0.000 2.386 87 A HA 0.478 4.813 4.320 0.026 0.000 0.311 87 A C -1.145 176.144 177.584 -0.491 0.000 1.068 87 A CA -0.855 50.962 52.037 -0.367 0.000 0.743 87 A CB 1.335 20.238 19.000 -0.161 0.000 1.258 87 A HN 0.711 nan 8.150 nan 0.000 0.429 88 N N 1.817 120.422 118.700 -0.159 0.000 2.442 88 N HA 0.323 5.079 4.740 0.026 0.000 0.274 88 N C 0.011 175.561 175.510 0.067 0.000 1.002 88 N CA -0.153 52.903 53.050 0.009 0.000 0.910 88 N CB 1.944 40.506 38.487 0.125 0.000 1.244 88 N HN 0.719 nan 8.380 nan 0.000 0.492 89 V N 1.291 121.268 119.914 0.105 0.000 3.542 89 V HA 0.231 4.366 4.120 0.026 0.000 0.296 89 V C 1.246 177.384 176.094 0.073 0.000 1.364 89 V CA 0.313 62.683 62.300 0.118 0.000 1.118 89 V CB -0.032 31.887 31.823 0.161 0.000 0.972 89 V HN 0.534 nan 8.190 nan 0.000 0.430 90 Q N 0.635 120.477 119.800 0.070 0.000 2.389 90 Q HA 0.176 4.531 4.340 0.026 0.000 0.204 90 Q C -1.618 174.327 176.000 -0.092 0.000 0.944 90 Q CA -0.480 55.319 55.803 -0.007 0.000 0.908 90 Q CB -0.761 27.967 28.738 -0.016 0.000 1.002 90 Q HN 0.554 nan 8.270 nan 0.000 0.493 91 P HA -0.100 nan 4.420 nan 0.000 0.264 91 P C -0.090 177.176 177.300 -0.057 0.000 1.193 91 P CA 0.529 63.567 63.100 -0.103 0.000 0.763 91 P CB 0.458 32.141 31.700 -0.029 0.000 0.810 92 H N 0.492 119.559 119.070 -0.005 0.000 2.521 92 H HA 0.022 4.593 4.556 0.026 0.000 0.286 92 H C 0.938 176.264 175.328 -0.004 0.000 1.034 92 H CA 1.083 57.118 56.048 -0.021 0.000 1.278 92 H CB 0.053 29.799 29.762 -0.027 0.000 1.386 92 H HN 0.497 nan 8.280 nan 0.000 0.567 93 S N -2.967 112.806 115.700 0.121 0.000 2.636 93 S HA 0.370 4.855 4.470 0.026 0.000 0.266 93 S C 1.274 175.925 174.600 0.085 0.000 1.147 93 S CA -0.386 57.884 58.200 0.117 0.000 0.815 93 S CB 1.005 64.270 63.200 0.109 0.000 1.119 93 S HN 0.095 nan 8.310 nan 0.000 0.470 94 G N 0.843 109.697 108.800 0.091 0.000 2.440 94 G HA2 0.063 4.038 3.960 0.026 0.000 0.218 94 G HA3 0.063 4.038 3.960 0.026 0.000 0.218 94 G C 1.537 176.472 174.900 0.058 0.000 1.154 94 G CA 1.285 46.399 45.100 0.024 0.000 0.767 94 G HN 1.409 nan 8.290 nan 0.000 0.552 95 A N 0.214 123.104 122.820 0.116 0.000 1.883 95 A HA -0.147 4.188 4.320 0.026 0.000 0.217 95 A C 2.384 180.031 177.584 0.105 0.000 1.186 95 A CA 2.293 54.445 52.037 0.192 0.000 0.624 95 A CB -0.458 18.664 19.000 0.204 0.000 0.822 95 A HN 0.355 nan 8.150 nan 0.000 0.444 96 Q N -0.636 119.181 119.800 0.028 0.000 2.172 96 Q HA 0.126 4.481 4.340 0.026 0.000 0.200 96 Q C 2.282 178.249 176.000 -0.054 0.000 0.964 96 Q CA 1.526 57.301 55.803 -0.046 0.000 0.855 96 Q CB -0.632 28.081 28.738 -0.041 0.000 0.918 96 Q HN 0.652 nan 8.270 nan 0.000 0.444 97 A N 0.818 123.620 122.820 -0.030 0.000 1.877 97 A HA -0.236 4.099 4.320 0.026 0.000 0.216 97 A C 1.798 179.319 177.584 -0.106 0.000 1.186 97 A CA 1.795 53.801 52.037 -0.051 0.000 0.620 97 A CB -0.613 18.365 19.000 -0.038 0.000 0.822 97 A HN 0.342 nan 8.150 nan 0.000 0.443 98 N N -0.575 118.065 118.700 -0.100 0.000 2.084 98 N HA -0.157 4.598 4.740 0.026 0.000 0.190 98 N C 1.743 177.015 175.510 -0.396 0.000 1.030 98 N CA 1.681 54.563 53.050 -0.281 0.000 0.849 98 N CB -0.560 37.867 38.487 -0.100 0.000 1.012 98 N HN 0.617 nan 8.380 nan 0.000 0.423 99 M N 0.693 120.292 119.600 -0.002 0.000 2.089 99 M HA -0.225 4.271 4.480 0.026 0.000 0.257 99 M C 1.831 178.158 176.300 0.045 0.000 1.071 99 M CA 1.981 57.333 55.300 0.085 0.000 1.096 99 M CB -0.064 32.360 32.600 -0.294 0.000 1.330 99 M HN 0.209 nan 8.290 nan 0.000 0.403 100 A N -0.727 122.060 122.820 -0.055 0.000 1.930 100 A HA -0.094 4.241 4.320 0.026 0.000 0.217 100 A C 2.010 179.567 177.584 -0.045 0.000 1.175 100 A CA 1.720 53.752 52.037 -0.007 0.000 0.627 100 A CB -1.021 17.963 19.000 -0.026 0.000 0.815 100 A HN 0.438 nan 8.150 nan 0.000 0.443 101 V N -0.905 118.873 119.914 -0.226 0.000 2.295 101 V HA -0.289 3.846 4.120 0.026 0.000 0.246 101 V C 2.437 178.342 176.094 -0.314 0.000 1.049 101 V CA 1.989 64.022 62.300 -0.445 0.000 1.024 101 V CB -1.195 30.300 31.823 -0.546 0.000 0.648 101 V HN 0.629 nan 8.190 nan 0.000 0.447 102 Y N -0.743 119.484 120.300 -0.122 0.000 2.128 102 Y HA -0.239 4.327 4.550 0.027 0.000 0.284 102 Y C 2.317 178.202 175.900 -0.024 0.000 1.154 102 Y CA 1.140 59.151 58.100 -0.149 0.000 1.149 102 Y CB -1.318 37.166 38.460 0.039 0.000 0.976 102 Y HN 0.270 nan 8.280 nan 0.000 0.505 103 F N 0.673 120.711 119.950 0.146 0.000 2.216 103 F HA -0.213 4.331 4.527 0.027 0.000 0.300 103 F C 2.230 178.025 175.800 -0.009 0.000 1.085 103 F CA 1.913 59.980 58.000 0.111 0.000 1.326 103 F CB -0.540 38.506 39.000 0.077 0.000 1.027 103 F HN -0.035 nan 8.300 nan 0.000 0.497 104 T N -0.513 114.011 114.554 -0.050 0.000 2.737 104 T HA -0.132 4.233 4.350 0.026 0.000 0.265 104 T C 1.906 176.441 174.700 -0.276 0.000 1.038 104 T CA 2.109 64.093 62.100 -0.192 0.000 1.144 104 T CB -0.500 68.187 68.868 -0.302 0.000 0.866 104 T HN 0.257 nan 8.240 nan 0.000 0.434 105 V N -1.931 117.769 119.914 -0.357 0.000 3.605 105 V HA 0.490 4.625 4.120 0.026 0.000 0.284 105 V C 0.301 176.262 176.094 -0.221 0.000 1.386 105 V CA -0.208 61.861 62.300 -0.386 0.000 1.053 105 V CB -0.425 30.930 31.823 -0.781 0.000 0.857 105 V HN 0.227 nan 8.190 nan 0.000 0.436 106 L N 1.042 122.153 121.223 -0.186 0.000 2.334 106 L HA 0.673 5.029 4.340 0.026 0.000 0.273 106 L C -0.159 176.730 176.870 0.032 0.000 1.013 106 L CA -0.500 54.268 54.840 -0.119 0.000 0.816 106 L CB 1.998 43.835 42.059 -0.370 0.000 1.278 106 L HN 0.144 nan 8.230 nan 0.000 0.431 107 E N 0.251 120.501 120.200 0.082 0.000 2.250 107 E HA 0.190 4.556 4.350 0.026 0.000 0.269 107 E C -0.548 176.212 176.600 0.267 0.000 1.018 107 E CA -0.802 55.681 56.400 0.139 0.000 0.873 107 E CB 1.215 30.959 29.700 0.074 0.000 1.134 107 E HN 0.464 nan 8.360 nan 0.000 0.403 108 H N 0.796 119.943 119.070 0.129 0.000 3.167 108 H HA -0.115 4.457 4.556 0.025 0.000 0.306 108 H C 0.911 176.272 175.328 0.056 0.000 0.965 108 H CA 1.886 57.956 56.048 0.036 0.000 1.408 108 H CB 0.188 29.943 29.762 -0.013 0.000 1.406 108 H HN 0.844 nan 8.280 nan 0.000 0.576 109 G N 4.437 112.959 108.800 -0.464 0.000 2.176 109 G HA2 -0.257 3.719 3.960 0.026 0.000 0.253 109 G HA3 -0.257 3.719 3.960 0.026 0.000 0.253 109 G C 0.068 174.917 174.900 -0.086 0.000 0.979 109 G CA 0.266 45.167 45.100 -0.332 0.000 0.641 109 G HN 0.698 nan 8.290 nan 0.000 0.530 110 D N 1.231 121.645 120.400 0.023 0.000 2.400 110 D HA 0.419 5.074 4.640 0.026 0.000 0.238 110 D C 0.878 177.125 176.300 -0.089 0.000 1.157 110 D CA 0.791 54.780 54.000 -0.018 0.000 0.889 110 D CB 0.640 41.425 40.800 -0.026 0.000 1.199 110 D HN 0.116 nan 8.370 nan 0.000 0.436 111 T N 1.142 115.624 114.554 -0.119 0.000 2.832 111 T HA 0.414 4.779 4.350 0.026 0.000 0.296 111 T C -0.017 174.498 174.700 -0.307 0.000 0.968 111 T CA -0.517 61.474 62.100 -0.181 0.000 1.107 111 T CB 0.745 69.559 68.868 -0.091 0.000 0.916 111 T HN -0.003 nan 8.240 nan 0.000 0.517 112 V N 4.132 123.723 119.914 -0.539 0.000 2.735 112 V HA 0.545 4.680 4.120 0.026 0.000 0.310 112 V C -0.708 175.074 176.094 -0.520 0.000 1.061 112 V CA -1.053 60.815 62.300 -0.721 0.000 0.913 112 V CB 1.970 32.866 31.823 -1.546 0.000 1.005 112 V HN 0.674 nan 8.190 nan 0.000 0.428 113 L N 3.729 124.830 121.223 -0.204 0.000 2.305 113 L HA 0.958 5.313 4.340 0.026 0.000 0.284 113 L C 0.214 177.195 176.870 0.185 0.000 1.013 113 L CA 0.476 55.336 54.840 0.032 0.000 0.819 113 L CB 0.969 43.118 42.059 0.150 0.000 1.227 113 L HN 0.810 nan 8.230 nan 0.000 0.417 114 G N 4.009 112.906 108.800 0.163 0.000 2.730 114 G HA2 0.437 4.413 3.960 0.026 0.000 0.289 114 G HA3 0.437 4.413 3.960 0.026 0.000 0.289 114 G C -1.161 173.390 174.900 -0.581 0.000 1.341 114 G CA -0.981 44.157 45.100 0.063 0.000 0.932 114 G HN 0.665 nan 8.290 nan 0.000 0.481 115 M N 1.710 120.889 119.600 -0.701 0.000 2.238 115 M HA 0.123 4.618 4.480 0.026 0.000 0.350 115 M C 0.628 176.627 176.300 -0.501 0.000 1.321 115 M CA -0.589 54.127 55.300 -0.973 0.000 1.097 115 M CB 0.340 32.717 32.600 -0.372 0.000 1.713 115 M HN 0.592 nan 8.290 nan 0.000 0.455 116 N N 3.953 122.329 118.700 -0.541 0.000 2.223 116 N HA -0.112 4.643 4.740 0.026 0.000 0.271 116 N C 0.487 175.825 175.510 -0.287 0.000 1.315 116 N CA 0.213 52.993 53.050 -0.450 0.000 0.835 116 N CB 0.492 38.495 38.487 -0.806 0.000 1.066 116 N HN 0.696 nan 8.380 nan 0.000 0.486 117 L N 3.453 124.538 121.223 -0.230 0.000 2.079 117 L HA -0.205 4.150 4.340 0.026 0.000 0.210 117 L C 2.396 179.191 176.870 -0.125 0.000 1.081 117 L CA 1.681 56.416 54.840 -0.174 0.000 0.752 117 L CB -0.829 41.112 42.059 -0.197 0.000 0.896 117 L HN 0.749 nan 8.230 nan 0.000 0.433 118 S N -2.633 113.000 115.700 -0.112 0.000 2.561 118 S HA -0.083 4.403 4.470 0.026 0.000 0.225 118 S C 1.530 176.187 174.600 0.096 0.000 0.977 118 S CA 0.465 58.649 58.200 -0.027 0.000 0.926 118 S CB -0.738 62.448 63.200 -0.023 0.000 0.769 118 S HN 0.605 nan 8.310 nan 0.000 0.533 119 H N 0.045 119.017 119.070 -0.162 0.000 2.586 119 H HA 0.373 4.944 4.556 0.025 0.000 0.273 119 H C 1.539 176.838 175.328 -0.048 0.000 0.997 119 H CA 0.016 55.991 56.048 -0.122 0.000 1.177 119 H CB 0.638 30.316 29.762 -0.140 0.000 1.471 119 H HN 0.610 nan 8.280 nan 0.000 0.538 120 G N 0.602 109.432 108.800 0.050 0.000 2.425 120 G HA2 -0.184 3.792 3.960 0.026 0.000 0.177 120 G HA3 -0.184 3.792 3.960 0.026 0.000 0.177 120 G C 0.685 175.595 174.900 0.016 0.000 0.999 120 G CA -0.353 44.771 45.100 0.039 0.000 0.723 120 G HN 0.523 nan 8.290 nan 0.000 0.491 121 G N -0.110 108.679 108.800 -0.019 0.000 2.544 121 G HA2 0.442 4.417 3.960 0.026 0.000 0.242 121 G HA3 0.442 4.417 3.960 0.026 0.000 0.242 121 G C -0.085 174.775 174.900 -0.067 0.000 1.247 121 G CA 0.177 45.291 45.100 0.024 0.000 0.840 121 G HN 0.462 nan 8.290 nan 0.000 0.578 122 H N 1.301 120.150 119.070 -0.369 0.000 2.505 122 H HA 0.111 4.683 4.556 0.026 0.000 0.355 122 H C 1.479 176.542 175.328 -0.442 0.000 1.179 122 H CA -0.832 54.897 56.048 -0.532 0.000 1.343 122 H CB 1.555 30.825 29.762 -0.819 0.000 1.501 122 H HN 0.323 nan 8.280 nan 0.000 0.569 123 L N 2.892 123.460 121.223 -1.091 0.000 2.051 123 L HA -0.238 4.117 4.340 0.026 0.000 0.214 123 L C 2.392 178.943 176.870 -0.532 0.000 1.076 123 L CA 2.633 57.020 54.840 -0.755 0.000 0.758 123 L CB -0.748 40.855 42.059 -0.761 0.000 0.890 123 L HN 0.857 nan 8.230 nan 0.000 0.433 124 T N -4.779 109.544 114.554 -0.385 0.000 3.160 124 T HA -0.056 4.309 4.350 0.026 0.000 0.257 124 T C 0.875 175.594 174.700 0.032 0.000 1.147 124 T CA 0.638 62.691 62.100 -0.079 0.000 1.064 124 T CB -0.957 68.091 68.868 0.301 0.000 0.949 124 T HN 0.625 nan 8.240 nan 0.000 0.526 125 H N 0.514 119.434 119.070 -0.251 0.000 2.524 125 H HA 0.492 5.064 4.556 0.025 0.000 0.297 125 H C 1.393 176.079 175.328 -1.071 0.000 1.115 125 H CA -0.471 55.364 56.048 -0.355 0.000 1.027 125 H CB 0.074 29.797 29.762 -0.064 0.000 1.591 125 H HN 0.508 nan 8.280 nan 0.000 0.543 126 G N 0.975 108.940 108.800 -1.391 0.000 2.159 126 G HA2 -0.287 3.688 3.960 0.026 0.000 0.170 126 G HA3 -0.287 3.688 3.960 0.026 0.000 0.170 126 G C 0.246 174.791 174.900 -0.592 0.000 1.007 126 G CA 0.017 44.235 45.100 -1.470 0.000 0.672 126 G HN 0.408 nan 8.290 nan 0.000 0.507 127 S N 1.271 116.691 115.700 -0.467 0.000 2.552 127 S HA 0.404 4.889 4.470 0.026 0.000 0.289 127 S C 0.065 174.529 174.600 -0.226 0.000 1.304 127 S CA 0.010 58.032 58.200 -0.297 0.000 1.063 127 S CB 1.126 64.163 63.200 -0.272 0.000 0.848 127 S HN 0.191 nan 8.310 nan 0.000 0.499 128 P HA -0.010 nan 4.420 nan 0.000 0.230 128 P C 0.961 178.221 177.300 -0.066 0.000 1.158 128 P CA 0.697 63.742 63.100 -0.092 0.000 0.769 128 P CB -0.285 31.378 31.700 -0.061 0.000 0.807 129 V N -4.306 115.565 119.914 -0.072 0.000 3.483 129 V HA 0.289 4.425 4.120 0.026 0.000 0.301 129 V C 0.660 176.732 176.094 -0.035 0.000 1.389 129 V CA -0.474 61.804 62.300 -0.036 0.000 1.101 129 V CB -0.931 30.884 31.823 -0.014 0.000 0.971 129 V HN 0.010 nan 8.190 nan 0.000 0.434 130 N N 0.623 119.270 118.700 -0.089 0.000 2.430 130 N HA 0.246 5.001 4.740 0.026 0.000 0.298 130 N C 1.014 176.474 175.510 -0.083 0.000 1.130 130 N CA -0.141 52.858 53.050 -0.084 0.000 0.894 130 N CB 2.160 40.514 38.487 -0.222 0.000 1.209 130 N HN 0.202 nan 8.380 nan 0.000 0.503 131 F N 2.160 122.124 119.950 0.023 0.000 2.147 131 F HA -0.211 4.332 4.527 0.026 0.000 0.301 131 F C 2.325 178.167 175.800 0.070 0.000 1.084 131 F CA 1.547 59.575 58.000 0.047 0.000 1.268 131 F CB -1.086 37.967 39.000 0.088 0.000 1.009 131 F HN 0.458 nan 8.300 nan 0.000 0.486 132 S N 0.604 115.693 115.700 -1.018 0.000 2.353 132 S HA -0.102 4.383 4.470 0.026 0.000 0.222 132 S C 2.314 176.810 174.600 -0.174 0.000 1.035 132 S CA 1.136 58.992 58.200 -0.573 0.000 1.025 132 S CB -1.736 60.987 63.200 -0.794 0.000 0.902 132 S HN 0.575 nan 8.310 nan 0.000 0.440 133 G N 0.453 109.076 108.800 -0.295 0.000 2.511 133 G HA2 0.067 4.043 3.960 0.026 0.000 0.217 133 G HA3 0.067 4.043 3.960 0.026 0.000 0.217 133 G C 1.358 176.234 174.900 -0.040 0.000 1.133 133 G CA 0.677 45.704 45.100 -0.123 0.000 0.792 133 G HN 0.476 nan 8.290 nan 0.000 0.539 134 V N 0.172 120.052 119.914 -0.057 0.000 2.407 134 V HA -0.110 4.026 4.120 0.026 0.000 0.245 134 V C 2.635 178.702 176.094 -0.045 0.000 1.041 134 V CA 2.058 64.346 62.300 -0.021 0.000 1.040 134 V CB 0.058 31.891 31.823 0.016 0.000 0.671 134 V HN 0.425 nan 8.190 nan 0.000 0.455 135 Q N -0.944 118.774 119.800 -0.136 0.000 2.212 135 Q HA 0.026 4.381 4.340 0.026 0.000 0.199 135 Q C -0.043 175.565 176.000 -0.654 0.000 0.950 135 Q CA 1.095 56.676 55.803 -0.370 0.000 0.863 135 Q CB 0.169 28.555 28.738 -0.587 0.000 0.944 135 Q HN 0.655 nan 8.270 nan 0.000 0.465 136 Y N -0.893 119.413 120.300 0.009 0.000 2.602 136 Y HA 0.403 4.968 4.550 0.025 0.000 0.342 136 Y C -0.506 175.367 175.900 -0.045 0.000 1.029 136 Y CA -1.902 56.150 58.100 -0.080 0.000 1.080 136 Y CB 0.785 39.154 38.460 -0.151 0.000 1.284 136 Y HN -0.165 nan 8.280 nan 0.000 0.485 137 N N 1.285 119.997 118.700 0.020 0.000 2.719 137 N HA 0.216 4.972 4.740 0.026 0.000 0.243 137 N C -1.751 173.707 175.510 -0.087 0.000 1.104 137 N CA -0.109 52.923 53.050 -0.029 0.000 0.981 137 N CB -0.389 38.057 38.487 -0.069 0.000 1.290 137 N HN 0.407 nan 8.380 nan 0.000 0.513 138 F N 2.230 122.116 119.950 -0.106 0.000 2.427 138 F HA 0.251 4.794 4.527 0.026 0.000 0.352 138 F C 0.754 176.452 175.800 -0.170 0.000 1.100 138 F CA -0.419 57.500 58.000 -0.135 0.000 1.191 138 F CB 0.851 39.770 39.000 -0.136 0.000 1.128 138 F HN 0.122 nan 8.300 nan 0.000 0.533 139 V N 0.734 120.608 119.914 -0.067 0.000 2.919 139 V HA 0.980 5.115 4.120 0.026 0.000 0.316 139 V C -0.616 175.440 176.094 -0.064 0.000 1.077 139 V CA -1.151 61.046 62.300 -0.172 0.000 0.977 139 V CB 1.397 32.919 31.823 -0.501 0.000 1.039 139 V HN 0.890 nan 8.190 nan 0.000 0.441 140 A N 2.474 125.239 122.820 -0.091 0.000 2.365 140 A HA 0.905 5.240 4.320 0.026 0.000 0.318 140 A C -0.919 176.623 177.584 -0.069 0.000 1.091 140 A CA -0.723 51.225 52.037 -0.148 0.000 0.763 140 A CB 1.302 20.167 19.000 -0.225 0.000 1.248 140 A HN 1.519 nan 8.150 nan 0.000 0.442 141 Y N 0.282 120.570 120.300 -0.020 0.000 2.453 141 Y HA 0.826 5.391 4.550 0.025 0.000 0.326 141 Y C 0.488 176.345 175.900 -0.072 0.000 1.186 141 Y CA -0.842 57.245 58.100 -0.023 0.000 1.200 141 Y CB 0.915 39.374 38.460 -0.000 0.000 1.247 141 Y HN 0.765 nan 8.280 nan 0.000 0.482 142 G N 0.312 109.211 108.800 0.166 0.000 2.685 142 G HA2 0.573 4.548 3.960 0.026 0.000 0.298 142 G HA3 0.573 4.548 3.960 0.026 0.000 0.298 142 G C -1.056 174.043 174.900 0.331 0.000 1.277 142 G CA -0.733 44.469 45.100 0.171 0.000 0.986 142 G HN 1.097 nan 8.290 nan 0.000 0.487 143 V N -1.578 118.634 119.914 0.496 0.000 2.743 143 V HA 0.464 4.599 4.120 0.026 0.000 0.301 143 V C 0.318 176.626 176.094 0.357 0.000 1.057 143 V CA -1.115 61.384 62.300 0.332 0.000 1.006 143 V CB 1.684 33.694 31.823 0.312 0.000 1.024 143 V HN 0.702 nan 8.190 nan 0.000 0.473 144 D N 3.654 124.192 120.400 0.230 0.000 2.488 144 D HA 0.091 4.746 4.640 0.026 0.000 0.238 144 D C -1.727 174.646 176.300 0.121 0.000 1.138 144 D CA -0.874 53.212 54.000 0.143 0.000 0.873 144 D CB 1.926 42.765 40.800 0.065 0.000 1.183 144 D HN 0.465 nan 8.370 nan 0.000 0.458 145 P HA -0.054 nan 4.420 nan 0.000 0.226 145 P C 0.740 177.913 177.300 -0.212 0.000 1.153 145 P CA 0.828 63.747 63.100 -0.301 0.000 0.777 145 P CB 0.444 31.781 31.700 -0.605 0.000 0.794 146 E N -1.250 118.810 120.200 -0.234 0.000 2.152 146 E HA -0.017 4.348 4.350 0.026 0.000 0.195 146 E C 1.909 178.223 176.600 -0.476 0.000 0.934 146 E CA 1.663 57.887 56.400 -0.294 0.000 0.869 146 E CB -0.646 28.958 29.700 -0.160 0.000 0.842 146 E HN 0.277 nan 8.360 nan 0.000 0.472 147 T N -2.504 111.873 114.554 -0.295 0.000 3.067 147 T HA -0.062 4.304 4.350 0.026 0.000 0.261 147 T C 0.430 175.033 174.700 -0.162 0.000 1.110 147 T CA 0.920 62.898 62.100 -0.202 0.000 1.113 147 T CB -0.368 68.474 68.868 -0.043 0.000 0.917 147 T HN 0.328 nan 8.240 nan 0.000 0.499 148 H N -0.788 118.339 119.070 0.096 0.000 3.010 148 H HA -0.107 4.465 4.556 0.026 0.000 0.272 148 H C -0.378 175.088 175.328 0.230 0.000 1.151 148 H CA 0.173 56.303 56.048 0.138 0.000 1.159 148 H CB -2.439 27.377 29.762 0.090 0.000 1.295 148 H HN 0.353 nan 8.280 nan 0.000 0.344 149 V N 1.346 121.427 119.914 0.278 0.000 2.567 149 V HA 0.132 4.267 4.120 0.026 0.000 0.289 149 V C 1.337 177.596 176.094 0.275 0.000 1.049 149 V CA -0.504 62.009 62.300 0.354 0.000 0.969 149 V CB 1.373 33.343 31.823 0.246 0.000 0.995 149 V HN 0.202 nan 8.190 nan 0.000 0.471 150 I N 3.593 124.291 120.570 0.214 0.000 2.906 150 I HA -0.088 4.097 4.170 0.026 0.000 0.301 150 I C 0.726 176.710 176.117 -0.221 0.000 1.221 150 I CA 0.675 61.899 61.300 -0.126 0.000 1.435 150 I CB 0.028 37.746 38.000 -0.470 0.000 1.345 150 I HN 0.640 nan 8.210 nan 0.000 0.558 151 D N 6.930 127.257 120.400 -0.122 0.000 2.393 151 D HA 0.042 4.698 4.640 0.026 0.000 0.232 151 D C 0.569 176.733 176.300 -0.225 0.000 1.192 151 D CA -0.026 53.934 54.000 -0.068 0.000 0.882 151 D CB 0.474 41.300 40.800 0.044 0.000 1.038 151 D HN 0.342 nan 8.370 nan 0.000 0.499 152 Y N 1.665 121.894 120.300 -0.118 0.000 2.352 152 Y HA -0.115 4.450 4.550 0.025 0.000 0.292 152 Y C 2.012 177.803 175.900 -0.183 0.000 1.136 152 Y CA 0.670 58.623 58.100 -0.245 0.000 1.227 152 Y CB 0.221 38.525 38.460 -0.260 0.000 0.991 152 Y HN 0.398 nan 8.280 nan 0.000 0.545 153 D N -0.118 120.293 120.400 0.019 0.000 2.178 153 D HA -0.179 4.476 4.640 0.026 0.000 0.202 153 D C 1.540 177.832 176.300 -0.013 0.000 0.974 153 D CA 1.516 55.516 54.000 -0.001 0.000 0.841 153 D CB -0.240 40.569 40.800 0.014 0.000 0.953 153 D HN 0.411 nan 8.370 nan 0.000 0.478 154 D N 0.325 120.718 120.400 -0.011 0.000 2.117 154 D HA -0.112 4.544 4.640 0.026 0.000 0.198 154 D C 2.139 178.442 176.300 0.005 0.000 0.982 154 D CA 0.492 54.506 54.000 0.024 0.000 0.828 154 D CB 0.178 41.023 40.800 0.074 0.000 0.967 154 D HN -0.094 nan 8.370 nan 0.000 0.464 155 V N 0.565 120.400 119.914 -0.132 0.000 2.287 155 V HA -0.258 3.877 4.120 0.026 0.000 0.248 155 V C 2.625 178.649 176.094 -0.117 0.000 1.053 155 V CA 2.132 64.276 62.300 -0.260 0.000 1.027 155 V CB -0.645 30.742 31.823 -0.726 0.000 0.646 155 V HN 0.223 nan 8.190 nan 0.000 0.447 156 R N -0.068 120.369 120.500 -0.105 0.000 2.073 156 R HA -0.231 4.125 4.340 0.026 0.000 0.234 156 R C 2.447 178.740 176.300 -0.012 0.000 1.134 156 R CA 2.160 58.230 56.100 -0.051 0.000 0.952 156 R CB -0.298 29.974 30.300 -0.045 0.000 0.850 156 R HN 0.697 nan 8.270 nan 0.000 0.433 157 E N 0.125 120.324 120.200 -0.001 0.000 2.072 157 E HA -0.187 4.178 4.350 0.026 0.000 0.191 157 E C 1.589 178.204 176.600 0.025 0.000 0.985 157 E CA 1.020 57.424 56.400 0.007 0.000 0.801 157 E CB 0.188 29.896 29.700 0.013 0.000 0.750 157 E HN 0.168 nan 8.360 nan 0.000 0.452 158 K N 0.347 120.796 120.400 0.082 0.000 2.057 158 K HA -0.132 4.204 4.320 0.026 0.000 0.207 158 K C 2.113 178.822 176.600 0.181 0.000 1.049 158 K CA 1.107 57.509 56.287 0.192 0.000 0.931 158 K CB -0.457 32.192 32.500 0.248 0.000 0.714 158 K HN 0.189 nan 8.250 nan 0.000 0.440 159 A N 1.660 124.545 122.820 0.108 0.000 1.902 159 A HA -0.177 4.158 4.320 0.026 0.000 0.217 159 A C 2.234 179.845 177.584 0.044 0.000 1.181 159 A CA 1.462 53.548 52.037 0.081 0.000 0.623 159 A CB -0.378 18.651 19.000 0.050 0.000 0.818 159 A HN 0.268 nan 8.150 nan 0.000 0.443 160 R N -1.392 119.116 120.500 0.013 0.000 2.115 160 R HA 0.008 4.363 4.340 0.026 0.000 0.226 160 R C 2.066 178.340 176.300 -0.044 0.000 1.100 160 R CA 1.081 57.173 56.100 -0.012 0.000 0.980 160 R CB -0.392 29.898 30.300 -0.017 0.000 0.875 160 R HN 0.478 nan 8.270 nan 0.000 0.445 161 L N 0.177 121.345 121.223 -0.092 0.000 2.023 161 L HA -0.128 4.227 4.340 0.026 0.000 0.205 161 L C 1.787 178.509 176.870 -0.247 0.000 1.073 161 L CA 1.941 56.646 54.840 -0.226 0.000 0.745 161 L CB -0.394 41.421 42.059 -0.407 0.000 0.900 161 L HN 0.200 nan 8.230 nan 0.000 0.435 162 H N -0.042 119.029 119.070 0.002 0.000 2.563 162 H HA 0.237 4.809 4.556 0.026 0.000 0.264 162 H C 0.017 175.337 175.328 -0.014 0.000 0.957 162 H CA 0.079 56.124 56.048 -0.006 0.000 1.173 162 H CB 0.288 30.047 29.762 -0.005 0.000 1.420 162 H HN 0.150 nan 8.280 nan 0.000 0.551 163 R N 0.528 121.076 120.500 0.081 0.000 3.146 163 R HA -0.104 4.251 4.340 0.026 0.000 0.250 163 R C -2.632 173.687 176.300 0.032 0.000 0.912 163 R CA -0.028 56.096 56.100 0.040 0.000 0.633 163 R CB -2.398 27.912 30.300 0.018 0.000 1.180 163 R HN 0.436 nan 8.270 nan 0.000 0.464 164 P HA 0.103 nan 4.420 nan 0.000 0.271 164 P C 0.632 177.925 177.300 -0.011 0.000 1.218 164 P CA -0.352 62.739 63.100 -0.015 0.000 0.780 164 P CB 0.797 32.485 31.700 -0.020 0.000 0.901 165 K N 0.646 121.026 120.400 -0.032 0.000 2.288 165 K HA 0.042 4.377 4.320 0.026 0.000 0.201 165 K C 0.655 177.305 176.600 0.082 0.000 1.048 165 K CA 0.722 57.020 56.287 0.018 0.000 0.956 165 K CB -0.377 32.126 32.500 0.005 0.000 0.746 165 K HN 0.391 nan 8.250 nan 0.000 0.461 166 L N 0.244 121.472 121.223 0.008 0.000 2.482 166 L HA 0.443 4.798 4.340 0.026 0.000 0.263 166 L C -1.468 175.418 176.870 0.027 0.000 0.957 166 L CA -0.504 54.369 54.840 0.055 0.000 0.836 166 L CB 1.732 43.771 42.059 -0.032 0.000 1.324 166 L HN -0.105 nan 8.230 nan 0.000 0.406 167 I N 5.016 125.660 120.570 0.123 0.000 2.404 167 I HA 0.525 4.711 4.170 0.026 0.000 0.293 167 I C -0.727 175.485 176.117 0.158 0.000 0.992 167 I CA -1.006 60.392 61.300 0.163 0.000 1.149 167 I CB 1.959 40.099 38.000 0.232 0.000 1.315 167 I HN 0.267 nan 8.210 nan 0.000 0.446 168 V N 5.521 125.525 119.914 0.149 0.000 2.398 168 V HA 0.716 4.851 4.120 0.026 0.000 0.286 168 V C 0.250 176.336 176.094 -0.014 0.000 1.026 168 V CA -0.416 61.907 62.300 0.039 0.000 0.868 168 V CB 1.387 33.197 31.823 -0.022 0.000 0.982 168 V HN 0.850 nan 8.190 nan 0.000 0.443 169 A N 4.044 126.732 122.820 -0.220 0.000 2.356 169 A HA 1.062 5.397 4.320 0.026 0.000 0.323 169 A C 0.017 177.506 177.584 -0.158 0.000 1.119 169 A CA -0.006 51.765 52.037 -0.443 0.000 0.790 169 A CB 1.608 19.884 19.000 -1.207 0.000 1.273 169 A HN 2.502 nan 8.150 nan 0.000 0.452 170 A N -1.031 121.768 122.820 -0.035 0.000 2.436 170 A HA 0.559 4.894 4.320 0.026 0.000 0.686 170 A C -0.254 177.451 177.584 0.201 0.000 0.140 170 A CA -0.015 52.098 52.037 0.126 0.000 0.026 170 A CB -1.538 17.547 19.000 0.141 0.000 3.974 170 A HN 2.985 nan 8.150 nan 0.000 0.548 171 A N -0.790 122.160 122.820 0.216 0.000 2.610 171 A HA 0.945 5.280 4.320 0.026 0.000 0.291 171 A C 0.644 178.272 177.584 0.073 0.000 1.086 171 A CA 0.743 52.882 52.037 0.170 0.000 0.677 171 A CB 0.529 19.619 19.000 0.149 0.000 1.278 171 A HN 2.474 nan 8.150 nan 0.000 0.414 172 S N -0.607 115.083 115.700 -0.016 0.000 2.517 172 S HA 0.475 4.960 4.470 0.026 0.000 0.214 172 S C 0.724 175.085 174.600 -0.399 0.000 0.991 172 S CA 0.788 58.849 58.200 -0.233 0.000 0.906 172 S CB 0.463 63.685 63.200 0.037 0.000 0.789 172 S HN 2.130 nan 8.310 nan 0.000 0.513 173 A N 0.487 123.217 122.820 -0.150 0.000 3.292 173 A HA 0.533 4.868 4.320 0.026 0.000 0.231 173 A C -0.962 176.648 177.584 0.043 0.000 0.952 173 A CA -0.429 51.544 52.037 -0.106 0.000 1.044 173 A CB -0.009 18.946 19.000 -0.075 0.000 1.236 173 A HN 0.420 nan 8.150 nan 0.000 0.525 174 Y N 1.944 122.197 120.300 -0.078 0.000 2.345 174 Y HA 0.529 5.094 4.550 0.025 0.000 0.331 174 Y C -2.187 173.716 175.900 0.006 0.000 0.959 174 Y CA -2.283 55.818 58.100 0.001 0.000 1.204 174 Y CB 2.181 40.683 38.460 0.069 0.000 1.135 174 Y HN 0.277 nan 8.280 nan 0.000 0.477 175 P HA 0.097 nan 4.420 nan 0.000 0.249 175 P C -0.215 176.884 177.300 -0.335 0.000 1.229 175 P CA 0.561 63.487 63.100 -0.290 0.000 0.788 175 P CB 0.523 32.095 31.700 -0.212 0.000 1.072 176 R N -0.127 119.970 120.500 -0.672 0.000 2.873 176 R HA 0.488 4.843 4.340 0.026 0.000 0.264 176 R C 0.419 176.682 176.300 -0.061 0.000 1.026 176 R CA -1.490 54.382 56.100 -0.379 0.000 1.002 176 R CB 0.677 30.739 30.300 -0.397 0.000 1.174 176 R HN 0.007 nan 8.270 nan 0.000 0.488 177 I N 2.085 122.679 120.570 0.041 0.000 2.710 177 I HA 0.005 4.190 4.170 0.026 0.000 0.286 177 I C 0.545 176.779 176.117 0.196 0.000 1.181 177 I CA 0.451 61.784 61.300 0.055 0.000 1.430 177 I CB 0.310 38.182 38.000 -0.213 0.000 1.367 177 I HN 0.239 nan 8.210 nan 0.000 0.577 178 I N 5.654 126.342 120.570 0.198 0.000 2.365 178 I HA 0.088 4.274 4.170 0.026 0.000 0.291 178 I C 0.247 176.112 176.117 -0.419 0.000 1.004 178 I CA -0.276 61.042 61.300 0.030 0.000 1.311 178 I CB 0.832 38.790 38.000 -0.070 0.000 1.401 178 I HN 0.487 nan 8.210 nan 0.000 0.491 179 D N 6.514 126.866 120.400 -0.080 0.000 2.453 179 D HA 0.129 4.784 4.640 0.026 0.000 0.223 179 D C 0.748 176.991 176.300 -0.095 0.000 1.183 179 D CA 0.005 53.851 54.000 -0.257 0.000 0.933 179 D CB 0.303 40.828 40.800 -0.457 0.000 1.038 179 D HN 0.352 nan 8.370 nan 0.000 0.513 180 F N 1.818 121.774 119.950 0.012 0.000 2.234 180 F HA -0.098 4.444 4.527 0.026 0.000 0.299 180 F C 2.517 178.121 175.800 -0.327 0.000 1.087 180 F CA 0.549 58.523 58.000 -0.042 0.000 1.340 180 F CB -0.059 38.913 39.000 -0.046 0.000 1.031 180 F HN 0.432 nan 8.300 nan 0.000 0.500 181 A N 0.535 122.988 122.820 -0.613 0.000 1.902 181 A HA -0.204 4.132 4.320 0.026 0.000 0.217 181 A C 2.202 179.687 177.584 -0.165 0.000 1.181 181 A CA 1.616 53.325 52.037 -0.546 0.000 0.623 181 A CB -0.541 18.180 19.000 -0.466 0.000 0.818 181 A HN 0.297 nan 8.150 nan 0.000 0.443 182 K N -1.575 118.707 120.400 -0.197 0.000 2.057 182 K HA -0.061 4.275 4.320 0.026 0.000 0.206 182 K C 1.677 178.222 176.600 -0.093 0.000 1.050 182 K CA 1.363 57.526 56.287 -0.208 0.000 0.935 182 K CB -0.330 31.869 32.500 -0.501 0.000 0.715 182 K HN 0.465 nan 8.250 nan 0.000 0.439 183 F N 1.241 121.217 119.950 0.043 0.000 2.126 183 F HA -0.215 4.328 4.527 0.027 0.000 0.299 183 F C 2.617 178.463 175.800 0.077 0.000 1.096 183 F CA 1.355 59.407 58.000 0.087 0.000 1.255 183 F CB -0.193 38.902 39.000 0.157 0.000 0.997 183 F HN -0.052 nan 8.300 nan 0.000 0.479 184 R N 0.853 121.505 120.500 0.253 0.000 2.092 184 R HA -0.144 4.211 4.340 0.026 0.000 0.231 184 R C 2.041 178.415 176.300 0.123 0.000 1.119 184 R CA 1.699 57.916 56.100 0.194 0.000 0.970 184 R CB -0.775 29.659 30.300 0.222 0.000 0.864 184 R HN 0.397 nan 8.270 nan 0.000 0.440 185 E N -0.211 120.033 120.200 0.073 0.000 2.085 185 E HA -0.186 4.179 4.350 0.026 0.000 0.194 185 E C 1.851 178.466 176.600 0.026 0.000 0.994 185 E CA 1.688 58.109 56.400 0.034 0.000 0.801 185 E CB -0.121 29.574 29.700 -0.008 0.000 0.743 185 E HN 0.419 nan 8.360 nan 0.000 0.453 186 I N 0.736 121.314 120.570 0.014 0.000 2.202 186 I HA -0.233 3.953 4.170 0.026 0.000 0.242 186 I C 2.603 178.747 176.117 0.046 0.000 1.091 186 I CA 0.905 62.208 61.300 0.004 0.000 1.368 186 I CB -0.351 37.619 38.000 -0.050 0.000 1.058 186 I HN 0.147 nan 8.210 nan 0.000 0.410 187 A N 0.728 123.606 122.820 0.096 0.000 1.892 187 A HA -0.293 4.042 4.320 0.026 0.000 0.218 187 A C 1.963 179.595 177.584 0.079 0.000 1.188 187 A CA 2.411 54.518 52.037 0.117 0.000 0.631 187 A CB -0.733 18.383 19.000 0.194 0.000 0.822 187 A HN 0.365 nan 8.150 nan 0.000 0.447 188 D N -0.921 119.526 120.400 0.080 0.000 2.117 188 D HA -0.146 4.510 4.640 0.026 0.000 0.197 188 D C 1.896 178.211 176.300 0.026 0.000 0.987 188 D CA 1.427 55.459 54.000 0.054 0.000 0.829 188 D CB -0.398 40.436 40.800 0.057 0.000 0.961 188 D HN 0.743 nan 8.370 nan 0.000 0.460 189 E N 0.358 120.571 120.200 0.022 0.000 2.118 189 E HA -0.150 4.215 4.350 0.026 0.000 0.195 189 E C 1.737 178.340 176.600 0.005 0.000 0.992 189 E CA 1.209 57.615 56.400 0.009 0.000 0.804 189 E CB 0.275 29.977 29.700 0.003 0.000 0.741 189 E HN 0.239 nan 8.360 nan 0.000 0.458 190 V N -3.450 116.469 119.914 0.009 0.000 3.621 190 V HA 0.424 4.559 4.120 0.026 0.000 0.285 190 V C 1.017 177.105 176.094 -0.009 0.000 1.346 190 V CA 0.382 62.684 62.300 0.003 0.000 1.104 190 V CB 0.064 31.895 31.823 0.014 0.000 0.913 190 V HN 0.259 nan 8.190 nan 0.000 0.432 191 G N 0.552 109.341 108.800 -0.018 0.000 2.273 191 G HA2 -0.018 3.957 3.960 0.026 0.000 0.280 191 G HA3 -0.018 3.957 3.960 0.026 0.000 0.280 191 G C 0.217 175.058 174.900 -0.099 0.000 1.047 191 G CA 0.432 45.496 45.100 -0.059 0.000 0.869 191 G HN 1.672 nan 8.290 nan 0.000 0.502 192 A N -0.578 122.210 122.820 -0.054 0.000 2.312 192 A HA 0.818 5.153 4.320 0.026 0.000 0.328 192 A C 0.110 177.650 177.584 -0.074 0.000 1.158 192 A CA -0.797 51.216 52.037 -0.040 0.000 0.821 192 A CB 0.802 19.832 19.000 0.050 0.000 1.170 192 A HN 0.547 nan 8.150 nan 0.000 0.490 193 Y N 0.108 120.386 120.300 -0.035 0.000 2.457 193 Y HA 0.321 4.887 4.550 0.026 0.000 0.341 193 Y C 0.334 176.349 175.900 0.191 0.000 1.240 193 Y CA 0.425 58.486 58.100 -0.066 0.000 1.437 193 Y CB 0.557 38.983 38.460 -0.056 0.000 1.328 193 Y HN 0.546 nan 8.280 nan 0.000 0.588 194 L N 4.881 126.462 121.223 0.598 0.000 2.305 194 L HA 0.488 4.843 4.340 0.026 0.000 0.284 194 L C -0.769 176.293 176.870 0.320 0.000 1.013 194 L CA -0.797 54.267 54.840 0.373 0.000 0.819 194 L CB 1.082 43.312 42.059 0.285 0.000 1.227 194 L HN 0.725 nan 8.230 nan 0.000 0.417 195 M N 5.819 125.556 119.600 0.229 0.000 2.205 195 M HA 0.586 5.081 4.480 0.026 0.000 0.344 195 M C -1.665 174.644 176.300 0.014 0.000 1.085 195 M CA -0.608 54.789 55.300 0.163 0.000 1.001 195 M CB 1.462 34.147 32.600 0.143 0.000 1.626 195 M HN 0.409 nan 8.290 nan 0.000 0.442 196 V N 4.398 124.280 119.914 -0.055 0.000 2.370 196 V HA 0.263 4.399 4.120 0.026 0.000 0.283 196 V C -0.583 175.439 176.094 -0.121 0.000 1.023 196 V CA -0.580 61.629 62.300 -0.152 0.000 0.857 196 V CB 1.486 33.086 31.823 -0.371 0.000 0.985 196 V HN 0.772 nan 8.190 nan 0.000 0.443 197 D N 5.746 126.103 120.400 -0.072 0.000 2.479 197 D HA 0.240 4.895 4.640 0.026 0.000 0.218 197 D C 0.798 177.097 176.300 -0.001 0.000 1.131 197 D CA -0.485 53.508 54.000 -0.013 0.000 0.916 197 D CB 1.110 41.984 40.800 0.124 0.000 1.022 197 D HN 0.606 nan 8.370 nan 0.000 0.515 198 M N 1.661 121.212 119.600 -0.081 0.000 2.530 198 M HA 0.358 4.853 4.480 0.026 0.000 0.231 198 M C 1.375 177.635 176.300 -0.067 0.000 1.180 198 M CA -0.366 54.889 55.300 -0.075 0.000 0.985 198 M CB 0.607 33.106 32.600 -0.167 0.000 1.623 198 M HN 0.135 nan 8.290 nan 0.000 0.475 199 A N 1.236 124.020 122.820 -0.060 0.000 1.896 199 A HA -0.243 4.092 4.320 0.026 0.000 0.220 199 A C 2.113 179.615 177.584 -0.136 0.000 1.206 199 A CA 2.151 54.112 52.037 -0.126 0.000 0.647 199 A CB -1.374 17.535 19.000 -0.151 0.000 0.828 199 A HN 0.758 nan 8.150 nan 0.000 0.455 200 H N -0.517 118.508 119.070 -0.075 0.000 2.389 200 H HA -0.034 4.539 4.556 0.028 0.000 0.299 200 H C 1.871 177.065 175.328 -0.223 0.000 1.081 200 H CA 1.772 57.785 56.048 -0.059 0.000 1.345 200 H CB -0.017 29.836 29.762 0.152 0.000 1.393 200 H HN 0.727 nan 8.280 nan 0.000 0.520 201 I N -2.641 117.915 120.570 -0.023 0.000 3.928 201 I HA 0.341 4.527 4.170 0.026 0.000 0.335 201 I C 2.182 178.284 176.117 -0.024 0.000 1.325 201 I CA 0.185 61.436 61.300 -0.082 0.000 1.107 201 I CB 0.207 38.126 38.000 -0.134 0.000 1.014 201 I HN -0.091 nan 8.210 nan 0.000 0.400 202 A N 2.181 124.993 122.820 -0.012 0.000 1.908 202 A HA -0.038 4.298 4.320 0.026 0.000 0.218 202 A C 2.348 180.111 177.584 0.297 0.000 1.181 202 A CA 1.939 54.035 52.037 0.099 0.000 0.627 202 A CB -1.397 17.606 19.000 0.004 0.000 0.818 202 A HN 0.530 nan 8.150 nan 0.000 0.445 203 G N -0.255 108.690 108.800 0.241 0.000 2.422 203 G HA2 -0.130 3.846 3.960 0.026 0.000 0.218 203 G HA3 -0.130 3.846 3.960 0.026 0.000 0.218 203 G C 1.525 176.625 174.900 0.333 0.000 1.146 203 G CA 1.002 46.349 45.100 0.413 0.000 0.769 203 G HN 0.447 nan 8.290 nan 0.000 0.547 204 L N 0.214 121.541 121.223 0.174 0.000 2.056 204 L HA -0.059 4.297 4.340 0.026 0.000 0.207 204 L C 2.961 179.967 176.870 0.226 0.000 1.078 204 L CA 0.398 55.330 54.840 0.153 0.000 0.749 204 L CB -0.704 41.435 42.059 0.134 0.000 0.901 204 L HN 0.065 nan 8.230 nan 0.000 0.433 205 V N 0.582 120.658 119.914 0.269 0.000 2.287 205 V HA -0.323 3.813 4.120 0.026 0.000 0.248 205 V C 2.853 179.103 176.094 0.260 0.000 1.053 205 V CA 1.950 64.446 62.300 0.325 0.000 1.027 205 V CB -0.943 31.100 31.823 0.367 0.000 0.646 205 V HN 0.493 nan 8.190 nan 0.000 0.447 206 A N -0.177 122.775 122.820 0.221 0.000 1.978 206 A HA -0.107 4.229 4.320 0.026 0.000 0.220 206 A C 2.173 179.786 177.584 0.048 0.000 1.170 206 A CA 2.055 54.031 52.037 -0.102 0.000 0.636 206 A CB -0.583 18.266 19.000 -0.252 0.000 0.810 206 A HN 0.648 nan 8.150 nan 0.000 0.448 207 A N -1.849 121.082 122.820 0.185 0.000 2.251 207 A HA 0.435 4.770 4.320 0.026 0.000 0.209 207 A C 1.683 179.332 177.584 0.107 0.000 1.187 207 A CA 1.059 53.194 52.037 0.163 0.000 0.823 207 A CB -0.973 18.116 19.000 0.149 0.000 0.846 207 A HN 1.896 nan 8.150 nan 0.000 0.486 208 G N -0.846 108.025 108.800 0.117 0.000 2.179 208 G HA2 -0.258 3.717 3.960 0.026 0.000 0.257 208 G HA3 -0.258 3.717 3.960 0.026 0.000 0.257 208 G C 0.578 175.544 174.900 0.110 0.000 1.010 208 G CA 0.632 45.798 45.100 0.111 0.000 0.736 208 G HN 0.524 nan 8.290 nan 0.000 0.513 209 L N -0.680 120.621 121.223 0.131 0.000 2.554 209 L HA 0.345 4.701 4.340 0.026 0.000 0.225 209 L C 1.058 178.030 176.870 0.170 0.000 1.104 209 L CA -0.069 54.840 54.840 0.115 0.000 0.866 209 L CB 0.227 42.335 42.059 0.082 0.000 1.047 209 L HN 0.413 nan 8.230 nan 0.000 0.468 210 H N 0.452 119.600 119.070 0.130 0.000 2.717 210 H HA 0.364 4.936 4.556 0.026 0.000 0.366 210 H C -2.631 172.823 175.328 0.209 0.000 1.132 210 H CA -2.015 54.131 56.048 0.164 0.000 1.180 210 H CB 2.622 32.504 29.762 0.201 0.000 1.678 210 H HN -0.252 nan 8.280 nan 0.000 0.537 211 P HA -0.059 nan 4.420 nan 0.000 0.265 211 P C -0.211 177.463 177.300 0.624 0.000 1.187 211 P CA 0.114 63.407 63.100 0.321 0.000 0.766 211 P CB 0.486 32.293 31.700 0.178 0.000 0.820 212 N N 4.129 123.103 118.700 0.455 0.000 2.430 212 N HA 0.091 4.847 4.740 0.026 0.000 0.265 212 N C -1.494 174.204 175.510 0.313 0.000 1.100 212 N CA -2.228 51.034 53.050 0.353 0.000 0.961 212 N CB 0.432 39.063 38.487 0.241 0.000 1.075 212 N HN 0.217 nan 8.380 nan 0.000 0.478 213 P HA -0.071 nan 4.420 nan 0.000 0.225 213 P C 1.364 178.596 177.300 -0.115 0.000 1.156 213 P CA 0.397 63.245 63.100 -0.419 0.000 0.787 213 P CB 0.490 31.522 31.700 -1.112 0.000 0.802 214 V N 2.119 121.984 119.914 -0.081 0.000 2.278 214 V HA -0.182 3.953 4.120 0.026 0.000 0.251 214 V C -0.230 175.799 176.094 -0.108 0.000 1.062 214 V CA 2.758 65.011 62.300 -0.078 0.000 1.038 214 V CB -2.620 29.188 31.823 -0.025 0.000 0.646 214 V HN 0.212 nan 8.190 nan 0.000 0.447 215 P HA -0.103 nan 4.420 nan 0.000 0.225 215 P C 0.846 177.879 177.300 -0.445 0.000 1.148 215 P CA 1.466 64.353 63.100 -0.354 0.000 0.779 215 P CB -0.079 31.300 31.700 -0.536 0.000 0.780 216 Y N -1.209 119.066 120.300 -0.042 0.000 2.535 216 Y HA 0.448 5.013 4.550 0.025 0.000 0.266 216 Y C 1.370 177.197 175.900 -0.122 0.000 1.088 216 Y CA -0.333 57.746 58.100 -0.034 0.000 1.285 216 Y CB -0.342 38.169 38.460 0.085 0.000 1.166 216 Y HN -0.203 nan 8.280 nan 0.000 0.525 217 A N -0.495 122.311 122.820 -0.023 0.000 2.312 217 A HA 0.389 4.724 4.320 0.026 0.000 0.326 217 A C -0.074 177.380 177.584 -0.216 0.000 1.172 217 A CA -0.409 51.570 52.037 -0.096 0.000 0.821 217 A CB 0.304 19.253 19.000 -0.085 0.000 1.166 217 A HN 0.461 nan 8.150 nan 0.000 0.493 218 H N 0.845 119.835 119.070 -0.134 0.000 2.389 218 H HA 0.103 4.674 4.556 0.025 0.000 0.299 218 H C -0.657 174.161 175.328 -0.851 0.000 1.081 218 H CA 2.076 57.844 56.048 -0.467 0.000 1.345 218 H CB -0.036 29.301 29.762 -0.708 0.000 1.393 218 H HN 0.578 nan 8.280 nan 0.000 0.520 219 F N -0.473 119.495 119.950 0.030 0.000 2.556 219 F HA 0.480 5.022 4.527 0.025 0.000 0.314 219 F C -0.863 174.888 175.800 -0.082 0.000 1.106 219 F CA -1.207 56.764 58.000 -0.048 0.000 0.911 219 F CB 1.923 40.850 39.000 -0.122 0.000 1.190 219 F HN -0.338 nan 8.300 nan 0.000 0.448 220 V N 1.764 121.710 119.914 0.052 0.000 2.444 220 V HA 0.598 4.733 4.120 0.026 0.000 0.294 220 V C -0.228 175.815 176.094 -0.085 0.000 1.022 220 V CA -0.684 61.569 62.300 -0.079 0.000 0.850 220 V CB 1.968 33.678 31.823 -0.187 0.000 0.992 220 V HN 0.895 nan 8.190 nan 0.000 0.426 221 T N 0.839 115.335 114.554 -0.097 0.000 2.945 221 T HA 0.834 5.200 4.350 0.026 0.000 0.286 221 T C -0.341 174.278 174.700 -0.136 0.000 1.025 221 T CA -0.667 61.373 62.100 -0.100 0.000 1.039 221 T CB 2.126 70.946 68.868 -0.079 0.000 1.068 221 T HN 0.723 nan 8.240 nan 0.000 0.497 222 T N 0.583 115.058 114.554 -0.130 0.000 2.830 222 T HA 0.585 4.950 4.350 0.026 0.000 0.322 222 T C -0.586 174.040 174.700 -0.124 0.000 1.501 222 T CA -0.403 61.607 62.100 -0.151 0.000 1.036 222 T CB 1.414 70.148 68.868 -0.223 0.000 1.379 222 T HN 1.192 nan 8.240 nan 0.000 0.493 223 T N 0.129 114.570 114.554 -0.189 0.000 2.899 223 T HA 0.434 4.799 4.350 0.026 0.000 0.284 223 T C 1.481 176.081 174.700 -0.168 0.000 1.004 223 T CA 0.191 62.142 62.100 -0.250 0.000 1.043 223 T CB 1.007 69.462 68.868 -0.690 0.000 1.013 223 T HN 0.754 nan 8.240 nan 0.000 0.518 224 T N -2.258 112.283 114.554 -0.022 0.000 3.065 224 T HA 0.071 4.437 4.350 0.026 0.000 0.252 224 T C 1.083 175.840 174.700 0.094 0.000 1.099 224 T CA 0.033 62.199 62.100 0.109 0.000 1.063 224 T CB -0.523 68.445 68.868 0.167 0.000 0.948 224 T HN 0.887 nan 8.240 nan 0.000 0.506 225 H N 1.225 120.295 119.070 0.000 0.000 2.423 225 H HA 0.563 5.135 4.556 0.028 0.000 0.309 225 H C 0.562 175.863 175.328 -0.046 0.000 1.584 225 H CA -0.461 55.572 56.048 -0.024 0.000 1.504 225 H CB 0.350 30.082 29.762 -0.049 0.000 1.740 225 H HN 0.114 nan 8.280 nan 0.000 0.744 226 K N -1.963 118.414 120.400 -0.038 0.000 2.768 226 K HA -0.232 4.104 4.320 0.026 0.000 0.347 226 K C 1.470 178.041 176.600 -0.048 0.000 1.714 226 K CA 1.332 57.530 56.287 -0.148 0.000 0.617 226 K CB -1.809 30.466 32.500 -0.376 0.000 0.986 226 K HN 0.835 nan 8.250 nan 0.000 0.668 227 T N -0.164 114.332 114.554 -0.096 0.000 2.962 227 T HA -0.065 4.300 4.350 0.026 0.000 0.270 227 T C 1.696 176.552 174.700 0.260 0.000 1.088 227 T CA 1.460 63.572 62.100 0.021 0.000 1.127 227 T CB -0.013 68.769 68.868 -0.145 0.000 0.883 227 T HN 0.333 nan 8.240 nan 0.000 0.493 228 L N 1.187 122.533 121.223 0.204 0.000 2.362 228 L HA 0.329 4.684 4.340 0.026 0.000 0.219 228 L C 1.612 178.641 176.870 0.266 0.000 1.134 228 L CA 0.987 55.991 54.840 0.274 0.000 0.807 228 L CB -1.179 41.001 42.059 0.201 0.000 0.927 228 L HN 0.453 nan 8.230 nan 0.000 0.447 229 R N -1.079 119.556 120.500 0.224 0.000 3.531 229 R HA -0.154 4.201 4.340 0.026 0.000 0.280 229 R C 0.419 176.782 176.300 0.105 0.000 1.130 229 R CA 0.434 56.639 56.100 0.175 0.000 0.757 229 R CB -1.696 28.753 30.300 0.248 0.000 1.218 229 R HN 0.551 nan 8.270 nan 0.000 0.454 230 G N 0.123 108.979 108.800 0.093 0.000 2.753 230 G HA2 0.693 4.668 3.960 0.026 0.000 0.285 230 G HA3 0.693 4.668 3.960 0.026 0.000 0.285 230 G C -2.582 172.341 174.900 0.039 0.000 1.344 230 G CA -0.998 44.124 45.100 0.036 0.000 1.050 230 G HN 0.126 nan 8.290 nan 0.000 0.532 231 P HA 0.158 nan 4.420 nan 0.000 0.272 231 P C -0.522 176.789 177.300 0.019 0.000 1.240 231 P CA -0.468 62.617 63.100 -0.026 0.000 0.791 231 P CB 0.959 32.612 31.700 -0.078 0.000 0.978 232 R N 0.371 120.825 120.500 -0.077 0.000 2.351 232 R HA 0.490 4.846 4.340 0.026 0.000 0.318 232 R C 0.349 176.641 176.300 -0.013 0.000 1.055 232 R CA 0.632 56.617 56.100 -0.193 0.000 0.968 232 R CB -0.606 29.473 30.300 -0.370 0.000 0.974 232 R HN 0.843 nan 8.270 nan 0.000 0.439 233 G N 1.371 110.283 108.800 0.186 0.000 2.320 233 G HA2 0.415 4.391 3.960 0.026 0.000 0.296 233 G HA3 0.415 4.391 3.960 0.026 0.000 0.296 233 G C -1.315 173.677 174.900 0.153 0.000 1.306 233 G CA -0.410 44.767 45.100 0.128 0.000 0.836 233 G HN 0.776 nan 8.290 nan 0.000 0.517 234 G N -1.364 107.490 108.800 0.089 0.000 2.685 234 G HA2 0.824 4.800 3.960 0.026 0.000 0.298 234 G HA3 0.824 4.800 3.960 0.026 0.000 0.298 234 G C -0.828 174.102 174.900 0.050 0.000 1.277 234 G CA -0.444 44.687 45.100 0.051 0.000 0.986 234 G HN 1.144 nan 8.290 nan 0.000 0.487 235 M N -0.203 119.409 119.600 0.020 0.000 2.471 235 M HA 0.611 5.106 4.480 0.026 0.000 0.284 235 M C -2.132 174.152 176.300 -0.027 0.000 1.203 235 M CA -0.648 54.665 55.300 0.022 0.000 0.915 235 M CB 2.231 34.866 32.600 0.059 0.000 1.734 235 M HN 0.405 nan 8.290 nan 0.000 0.485 236 I N 4.402 124.966 120.570 -0.011 0.000 2.498 236 I HA 0.503 4.688 4.170 0.026 0.000 0.290 236 I C -1.281 174.835 176.117 -0.003 0.000 1.032 236 I CA -0.697 60.601 61.300 -0.003 0.000 1.073 236 I CB 2.035 40.062 38.000 0.045 0.000 1.251 236 I HN 0.586 nan 8.210 nan 0.000 0.426 237 L N 6.007 127.220 121.223 -0.017 0.000 2.342 237 L HA 0.839 5.195 4.340 0.026 0.000 0.271 237 L C -0.571 176.353 176.870 0.090 0.000 1.008 237 L CA -0.659 54.179 54.840 -0.002 0.000 0.818 237 L CB 1.934 43.933 42.059 -0.101 0.000 1.296 237 L HN 0.810 nan 8.230 nan 0.000 0.427 238 C N -0.197 119.190 119.300 0.145 0.000 3.312 238 C HA 0.448 4.923 4.460 0.026 0.000 0.332 238 C C -0.796 174.293 174.990 0.165 0.000 1.340 238 C CA -1.030 58.093 59.018 0.175 0.000 1.265 238 C CB 1.802 29.739 27.740 0.328 0.000 1.563 238 C HN 0.887 nan 8.230 nan 0.000 0.471 239 Q N 1.009 120.898 119.800 0.149 0.000 2.417 239 Q HA 0.245 4.600 4.340 0.026 0.000 0.241 239 Q C 0.657 176.670 176.000 0.022 0.000 1.008 239 Q CA 0.062 55.903 55.803 0.063 0.000 0.901 239 Q CB 0.909 29.644 28.738 -0.004 0.000 1.259 239 Q HN 0.852 nan 8.270 nan 0.000 0.489 240 E N 1.162 121.342 120.200 -0.034 0.000 2.171 240 E HA -0.268 4.097 4.350 0.026 0.000 0.197 240 E C 2.023 178.524 176.600 -0.164 0.000 0.997 240 E CA 2.173 58.526 56.400 -0.080 0.000 0.810 240 E CB -0.044 29.619 29.700 -0.063 0.000 0.738 240 E HN 0.749 nan 8.360 nan 0.000 0.467 241 Q N -0.874 118.762 119.800 -0.273 0.000 2.291 241 Q HA -0.169 4.186 4.340 0.026 0.000 0.206 241 Q C 1.022 176.748 176.000 -0.457 0.000 0.976 241 Q CA 1.340 56.890 55.803 -0.422 0.000 0.875 241 Q CB -0.286 28.097 28.738 -0.591 0.000 0.927 241 Q HN 0.381 nan 8.270 nan 0.000 0.450 242 F N 0.094 120.039 119.950 -0.007 0.000 2.695 242 F HA 0.450 4.992 4.527 0.025 0.000 0.303 242 F C 2.185 177.980 175.800 -0.008 0.000 1.091 242 F CA -0.085 57.950 58.000 0.057 0.000 1.300 242 F CB -0.106 39.008 39.000 0.190 0.000 1.071 242 F HN 0.118 nan 8.300 nan 0.000 0.578 243 A N 0.842 123.627 122.820 -0.060 0.000 1.873 243 A HA -0.273 4.062 4.320 0.026 0.000 0.218 243 A C 2.360 179.754 177.584 -0.317 0.000 1.193 243 A CA 2.161 53.922 52.037 -0.460 0.000 0.629 243 A CB -0.644 17.845 19.000 -0.852 0.000 0.826 243 A HN 0.344 nan 8.150 nan 0.000 0.447 244 K N -0.656 119.638 120.400 -0.177 0.000 2.026 244 K HA -0.208 4.128 4.320 0.026 0.000 0.208 244 K C 2.269 178.860 176.600 -0.015 0.000 1.048 244 K CA 1.748 57.976 56.287 -0.098 0.000 0.929 244 K CB -0.221 32.246 32.500 -0.056 0.000 0.713 244 K HN 0.635 nan 8.250 nan 0.000 0.439 245 Q N 0.153 119.979 119.800 0.044 0.000 2.119 245 Q HA -0.114 4.241 4.340 0.026 0.000 0.201 245 Q C 2.086 178.142 176.000 0.094 0.000 0.972 245 Q CA 1.110 56.964 55.803 0.084 0.000 0.847 245 Q CB 0.033 28.850 28.738 0.132 0.000 0.903 245 Q HN 0.314 nan 8.270 nan 0.000 0.433 246 I N 1.248 121.886 120.570 0.113 0.000 2.252 246 I HA -0.228 3.957 4.170 0.026 0.000 0.245 246 I C 1.499 177.689 176.117 0.123 0.000 1.102 246 I CA 1.366 62.739 61.300 0.121 0.000 1.385 246 I CB -0.911 37.210 38.000 0.201 0.000 1.064 246 I HN 0.210 nan 8.210 nan 0.000 0.414 247 D N 0.966 121.402 120.400 0.060 0.000 2.117 247 D HA -0.172 4.484 4.640 0.026 0.000 0.197 247 D C 2.198 178.625 176.300 0.212 0.000 0.987 247 D CA 1.161 55.158 54.000 -0.005 0.000 0.829 247 D CB -0.106 40.409 40.800 -0.474 0.000 0.961 247 D HN 0.315 nan 8.370 nan 0.000 0.460 248 K N 0.450 120.940 120.400 0.149 0.000 2.148 248 K HA 0.011 4.347 4.320 0.026 0.000 0.204 248 K C 2.086 178.793 176.600 0.178 0.000 1.050 248 K CA 0.916 57.304 56.287 0.168 0.000 0.942 248 K CB 0.009 32.574 32.500 0.109 0.000 0.724 248 K HN 0.019 nan 8.250 nan 0.000 0.446 249 A N 1.599 124.539 122.820 0.200 0.000 1.877 249 A HA -0.161 4.174 4.320 0.026 0.000 0.216 249 A C 2.052 179.707 177.584 0.118 0.000 1.186 249 A CA 1.201 53.392 52.037 0.257 0.000 0.620 249 A CB -0.409 18.741 19.000 0.250 0.000 0.822 249 A HN 0.089 nan 8.150 nan 0.000 0.443 250 I N -2.584 118.082 120.570 0.160 0.000 2.179 250 I HA -0.018 4.168 4.170 0.026 0.000 0.242 250 I C 0.585 176.833 176.117 0.218 0.000 1.088 250 I CA 1.368 62.757 61.300 0.149 0.000 1.357 250 I CB -0.627 37.502 38.000 0.215 0.000 1.051 250 I HN 0.348 nan 8.210 nan 0.000 0.409 251 F N 2.415 122.465 119.950 0.167 0.000 2.588 251 F HA 0.408 4.952 4.527 0.029 0.000 0.318 251 F C -2.305 173.617 175.800 0.203 0.000 1.155 251 F CA -1.861 56.219 58.000 0.133 0.000 0.967 251 F CB 1.952 40.994 39.000 0.071 0.000 1.236 251 F HN -0.240 nan 8.300 nan 0.000 0.455 252 P HA 0.202 nan 4.420 nan 0.000 0.256 252 P C 0.871 177.953 177.300 -0.362 0.000 1.384 252 P CA 0.442 62.902 63.100 -1.067 0.000 0.879 252 P CB 0.488 31.583 31.700 -1.009 0.000 1.403 253 G N 2.115 110.817 108.800 -0.164 0.000 2.464 253 G HA2 -0.169 3.806 3.960 0.026 0.000 0.214 253 G HA3 -0.169 3.806 3.960 0.026 0.000 0.214 253 G C 1.289 175.932 174.900 -0.429 0.000 1.218 253 G CA 0.967 45.944 45.100 -0.204 0.000 0.794 253 G HN 0.429 nan 8.290 nan 0.000 0.542 254 I N -3.392 116.985 120.570 -0.322 0.000 4.323 254 I HA 0.431 4.616 4.170 0.026 0.000 0.328 254 I C 0.622 176.669 176.117 -0.116 0.000 1.310 254 I CA -0.197 60.919 61.300 -0.308 0.000 1.186 254 I CB 0.530 38.305 38.000 -0.375 0.000 1.130 254 I HN 0.053 nan 8.210 nan 0.000 0.411 255 Q N 0.914 120.709 119.800 -0.008 0.000 2.495 255 Q HA 0.653 5.008 4.340 0.026 0.000 0.283 255 Q C -0.002 176.169 176.000 0.284 0.000 1.097 255 Q CA -0.413 55.443 55.803 0.088 0.000 0.836 255 Q CB 2.251 30.944 28.738 -0.075 0.000 1.426 255 Q HN 0.262 nan 8.270 nan 0.000 0.459 256 G N -0.385 108.587 108.800 0.286 0.000 3.110 256 G HA2 0.422 4.398 3.960 0.026 0.000 0.207 256 G HA3 0.422 4.398 3.960 0.026 0.000 0.207 256 G C -0.188 174.784 174.900 0.120 0.000 1.841 256 G CA -0.095 45.206 45.100 0.334 0.000 0.751 256 G HN 0.586 nan 8.290 nan 0.000 0.771 257 G N 2.117 111.055 108.800 0.230 0.000 2.365 257 G HA2 0.485 4.461 3.960 0.026 0.000 0.249 257 G HA3 0.485 4.461 3.960 0.026 0.000 0.249 257 G C -2.106 172.820 174.900 0.043 0.000 1.288 257 G CA -0.326 44.845 45.100 0.118 0.000 0.887 257 G HN 0.360 nan 8.290 nan 0.000 0.524 258 P HA 0.182 nan 4.420 nan 0.000 0.276 258 P C -0.118 177.186 177.300 0.006 0.000 1.244 258 P CA -0.500 62.606 63.100 0.009 0.000 0.801 258 P CB 1.272 32.917 31.700 -0.091 0.000 1.006 259 L N 2.518 123.761 121.223 0.033 0.000 2.356 259 L HA 0.139 4.494 4.340 0.026 0.000 0.282 259 L C 1.827 178.628 176.870 -0.116 0.000 1.132 259 L CA -0.506 54.292 54.840 -0.070 0.000 0.923 259 L CB -0.131 41.791 42.059 -0.229 0.000 1.278 259 L HN 0.229 nan 8.230 nan 0.000 0.436 260 M N 1.413 121.031 119.600 0.029 0.000 2.159 260 M HA -0.161 4.334 4.480 0.026 0.000 0.263 260 M C 2.393 178.712 176.300 0.032 0.000 1.063 260 M CA 1.571 56.883 55.300 0.019 0.000 1.110 260 M CB -1.116 31.494 32.600 0.016 0.000 1.374 260 M HN 0.650 nan 8.290 nan 0.000 0.411 261 H N -0.671 118.355 119.070 -0.073 0.000 2.387 261 H HA 0.024 4.583 4.556 0.005 0.000 0.299 261 H C 2.090 177.378 175.328 -0.066 0.000 1.090 261 H CA 1.462 57.470 56.048 -0.067 0.000 1.332 261 H CB -1.471 28.249 29.762 -0.070 0.000 1.386 261 H HN 0.260 nan 8.280 nan 0.000 0.516 262 V N 1.552 121.139 119.914 -0.544 0.000 2.453 262 V HA -0.156 3.980 4.120 0.026 0.000 0.247 262 V C 2.959 178.928 176.094 -0.208 0.000 1.048 262 V CA 1.357 63.445 62.300 -0.352 0.000 1.049 262 V CB -0.539 31.061 31.823 -0.373 0.000 0.672 262 V HN 0.243 nan 8.190 nan 0.000 0.457 263 I N 0.660 121.129 120.570 -0.169 0.000 2.286 263 I HA -0.231 3.954 4.170 0.026 0.000 0.248 263 I C 2.684 178.723 176.117 -0.131 0.000 1.115 263 I CA 1.371 62.598 61.300 -0.121 0.000 1.392 263 I CB -0.545 37.416 38.000 -0.065 0.000 1.065 263 I HN 0.293 nan 8.210 nan 0.000 0.418 264 A N 0.893 123.655 122.820 -0.096 0.000 1.883 264 A HA -0.218 4.117 4.320 0.026 0.000 0.217 264 A C 2.568 180.077 177.584 -0.125 0.000 1.186 264 A CA 2.017 54.006 52.037 -0.080 0.000 0.624 264 A CB -0.915 18.066 19.000 -0.032 0.000 0.822 264 A HN 0.430 nan 8.150 nan 0.000 0.444 265 A N -0.293 122.447 122.820 -0.133 0.000 1.940 265 A HA -0.190 4.145 4.320 0.026 0.000 0.219 265 A C 2.103 179.532 177.584 -0.259 0.000 1.176 265 A CA 1.891 53.837 52.037 -0.151 0.000 0.631 265 A CB -0.466 18.462 19.000 -0.120 0.000 0.814 265 A HN 0.573 nan 8.150 nan 0.000 0.446 266 K N -0.341 119.847 120.400 -0.353 0.000 2.032 266 K HA -0.131 4.204 4.320 0.026 0.000 0.209 266 K C 2.355 178.324 176.600 -1.053 0.000 1.048 266 K CA 1.251 57.098 56.287 -0.732 0.000 0.927 266 K CB -0.401 31.724 32.500 -0.626 0.000 0.712 266 K HN 0.448 nan 8.250 nan 0.000 0.441 267 A N 1.162 123.658 122.820 -0.539 0.000 1.908 267 A HA -0.156 4.179 4.320 0.026 0.000 0.218 267 A C 2.420 179.882 177.584 -0.204 0.000 1.181 267 A CA 1.711 53.577 52.037 -0.284 0.000 0.627 267 A CB -0.783 18.156 19.000 -0.101 0.000 0.818 267 A HN 0.090 nan 8.150 nan 0.000 0.445 268 V N -0.202 119.597 119.914 -0.192 0.000 2.295 268 V HA -0.255 3.880 4.120 0.026 0.000 0.246 268 V C 3.063 179.087 176.094 -0.117 0.000 1.049 268 V CA 2.022 64.253 62.300 -0.115 0.000 1.024 268 V CB -1.345 30.424 31.823 -0.091 0.000 0.648 268 V HN 0.628 nan 8.190 nan 0.000 0.447 269 A N -0.472 122.232 122.820 -0.193 0.000 1.933 269 A HA -0.176 4.160 4.320 0.026 0.000 0.218 269 A C 2.142 179.714 177.584 -0.021 0.000 1.175 269 A CA 1.820 53.781 52.037 -0.127 0.000 0.628 269 A CB -0.752 18.162 19.000 -0.144 0.000 0.814 269 A HN 0.550 nan 8.150 nan 0.000 0.444 270 F N -0.043 119.844 119.950 -0.105 0.000 2.146 270 F HA -0.096 4.454 4.527 0.038 0.000 0.298 270 F C 2.729 178.439 175.800 -0.150 0.000 1.096 270 F CA 0.247 58.165 58.000 -0.137 0.000 1.275 270 F CB -0.558 38.397 39.000 -0.075 0.000 1.008 270 F HN 0.370 nan 8.300 nan 0.000 0.480 271 G N 0.307 109.148 108.800 0.068 0.000 2.440 271 G HA2 -0.245 3.730 3.960 0.026 0.000 0.218 271 G HA3 -0.245 3.730 3.960 0.026 0.000 0.218 271 G C 1.375 176.262 174.900 -0.020 0.000 1.154 271 G CA 0.908 46.016 45.100 0.013 0.000 0.767 271 G HN 0.342 nan 8.290 nan 0.000 0.552 272 E N 0.502 120.679 120.200 -0.038 0.000 2.077 272 E HA -0.048 4.317 4.350 0.026 0.000 0.193 272 E C 2.903 179.434 176.600 -0.115 0.000 0.989 272 E CA 0.818 57.197 56.400 -0.034 0.000 0.800 272 E CB -0.204 29.487 29.700 -0.016 0.000 0.746 272 E HN 0.418 nan 8.360 nan 0.000 0.452 273 A N 0.948 123.548 122.820 -0.366 0.000 2.015 273 A HA -0.108 4.227 4.320 0.026 0.000 0.219 273 A C 2.098 179.494 177.584 -0.313 0.000 1.163 273 A CA 0.824 52.361 52.037 -0.832 0.000 0.646 273 A CB -0.444 17.974 19.000 -0.970 0.000 0.806 273 A HN 0.140 nan 8.150 nan 0.000 0.448 274 L N -0.517 120.609 121.223 -0.161 0.000 2.376 274 L HA -0.091 4.264 4.340 0.026 0.000 0.219 274 L C 0.978 177.848 176.870 -0.000 0.000 1.133 274 L CA 0.269 55.062 54.840 -0.078 0.000 0.816 274 L CB -0.306 41.717 42.059 -0.060 0.000 0.933 274 L HN 0.496 nan 8.230 nan 0.000 0.449 275 Q N -0.143 119.679 119.800 0.038 0.000 2.354 275 Q HA -0.019 4.336 4.340 0.026 0.000 0.244 275 Q C 0.455 176.530 176.000 0.125 0.000 0.969 275 Q CA -0.589 55.260 55.803 0.077 0.000 0.885 275 Q CB 0.946 29.735 28.738 0.086 0.000 1.241 275 Q HN 0.036 nan 8.270 nan 0.000 0.461 276 D N 1.629 122.086 120.400 0.094 0.000 2.123 276 D HA -0.193 4.463 4.640 0.026 0.000 0.196 276 D C 1.288 177.661 176.300 0.121 0.000 0.992 276 D CA 1.681 55.738 54.000 0.096 0.000 0.833 276 D CB -0.125 40.714 40.800 0.065 0.000 0.954 276 D HN 0.660 nan 8.370 nan 0.000 0.455 277 D N -0.071 120.404 120.400 0.125 0.000 2.219 277 D HA -0.186 4.470 4.640 0.026 0.000 0.205 277 D C 1.976 178.386 176.300 0.184 0.000 0.970 277 D CA 0.324 54.400 54.000 0.128 0.000 0.851 277 D CB -1.041 39.820 40.800 0.102 0.000 0.943 277 D HN 0.277 nan 8.370 nan 0.000 0.488 278 F N 1.174 121.185 119.950 0.102 0.000 2.186 278 F HA -0.049 4.492 4.527 0.024 0.000 0.299 278 F C 1.981 177.887 175.800 0.177 0.000 1.090 278 F CA 1.159 59.259 58.000 0.167 0.000 1.307 278 F CB 0.064 39.136 39.000 0.120 0.000 1.019 278 F HN -0.238 nan 8.300 nan 0.000 0.489 279 K N 0.642 121.179 120.400 0.228 0.000 2.057 279 K HA -0.094 4.241 4.320 0.026 0.000 0.207 279 K C 2.269 178.865 176.600 -0.005 0.000 1.049 279 K CA 1.411 57.759 56.287 0.101 0.000 0.931 279 K CB -0.946 31.622 32.500 0.114 0.000 0.714 279 K HN 0.327 nan 8.250 nan 0.000 0.440 280 A N -0.057 122.781 122.820 0.029 0.000 1.898 280 A HA -0.197 4.139 4.320 0.026 0.000 0.216 280 A C 2.138 179.713 177.584 -0.015 0.000 1.181 280 A CA 1.543 53.590 52.037 0.015 0.000 0.620 280 A CB -0.900 18.129 19.000 0.048 0.000 0.819 280 A HN 0.439 nan 8.150 nan 0.000 0.442 281 Y N 0.946 121.161 120.300 -0.141 0.000 2.081 281 Y HA -0.208 4.360 4.550 0.030 0.000 0.280 281 Y C 2.576 178.327 175.900 -0.248 0.000 1.163 281 Y CA 1.639 59.619 58.100 -0.200 0.000 1.135 281 Y CB -0.836 37.456 38.460 -0.279 0.000 0.970 281 Y HN 0.283 nan 8.280 nan 0.000 0.498 282 A N 0.419 122.802 122.820 -0.729 0.000 1.933 282 A HA -0.219 4.116 4.320 0.026 0.000 0.218 282 A C 2.358 179.724 177.584 -0.363 0.000 1.175 282 A CA 1.933 53.550 52.037 -0.701 0.000 0.628 282 A CB -0.842 17.877 19.000 -0.468 0.000 0.814 282 A HN 0.591 nan 8.150 nan 0.000 0.444 283 K N -0.413 119.856 120.400 -0.217 0.000 2.057 283 K HA -0.125 4.211 4.320 0.026 0.000 0.207 283 K C 2.246 178.779 176.600 -0.112 0.000 1.049 283 K CA 1.229 57.448 56.287 -0.114 0.000 0.931 283 K CB -0.176 32.291 32.500 -0.055 0.000 0.714 283 K HN 0.430 nan 8.250 nan 0.000 0.440 284 R N 0.224 120.644 120.500 -0.133 0.000 2.096 284 R HA -0.101 4.255 4.340 0.026 0.000 0.235 284 R C 2.268 178.498 176.300 -0.116 0.000 1.127 284 R CA 1.322 57.371 56.100 -0.086 0.000 0.968 284 R CB -0.365 29.917 30.300 -0.030 0.000 0.861 284 R HN 0.072 nan 8.270 nan 0.000 0.440 285 V N 0.551 120.308 119.914 -0.262 0.000 2.255 285 V HA -0.251 3.885 4.120 0.026 0.000 0.247 285 V C 2.368 178.414 176.094 -0.080 0.000 1.051 285 V CA 1.838 64.009 62.300 -0.214 0.000 1.018 285 V CB -0.378 31.218 31.823 -0.379 0.000 0.641 285 V HN 0.126 nan 8.190 nan 0.000 0.445 286 V N 0.009 119.877 119.914 -0.076 0.000 2.307 286 V HA -0.228 3.907 4.120 0.026 0.000 0.245 286 V C 2.289 178.377 176.094 -0.010 0.000 1.045 286 V CA 2.105 64.397 62.300 -0.015 0.000 1.024 286 V CB -0.741 31.081 31.823 -0.002 0.000 0.651 286 V HN 0.548 nan 8.190 nan 0.000 0.449 287 D N 0.409 120.797 120.400 -0.020 0.000 2.104 287 D HA -0.162 4.493 4.640 0.026 0.000 0.194 287 D C 2.068 178.371 176.300 0.005 0.000 0.994 287 D CA 1.341 55.338 54.000 -0.006 0.000 0.830 287 D CB -0.458 40.338 40.800 -0.006 0.000 0.959 287 D HN 0.348 nan 8.370 nan 0.000 0.452 288 N N 0.537 119.241 118.700 0.008 0.000 2.120 288 N HA -0.102 4.653 4.740 0.026 0.000 0.188 288 N C 1.703 177.228 175.510 0.026 0.000 1.024 288 N CA 1.294 54.361 53.050 0.029 0.000 0.852 288 N CB -0.395 38.121 38.487 0.049 0.000 1.003 288 N HN 0.148 nan 8.380 nan 0.000 0.424 289 A N 1.141 123.970 122.820 0.015 0.000 1.902 289 A HA -0.123 4.212 4.320 0.026 0.000 0.217 289 A C 2.169 179.753 177.584 0.001 0.000 1.181 289 A CA 1.399 53.440 52.037 0.006 0.000 0.623 289 A CB -0.362 18.639 19.000 0.002 0.000 0.818 289 A HN 0.236 nan 8.150 nan 0.000 0.443 290 K N -0.941 119.461 120.400 0.004 0.000 2.057 290 K HA -0.162 4.173 4.320 0.026 0.000 0.207 290 K C 2.357 178.964 176.600 0.010 0.000 1.049 290 K CA 1.600 57.889 56.287 0.004 0.000 0.931 290 K CB -0.139 32.364 32.500 0.004 0.000 0.714 290 K HN 0.324 nan 8.250 nan 0.000 0.440 291 R N 1.237 121.745 120.500 0.015 0.000 2.073 291 R HA -0.112 4.243 4.340 0.026 0.000 0.234 291 R C 2.045 178.360 176.300 0.025 0.000 1.134 291 R CA 1.181 57.293 56.100 0.020 0.000 0.952 291 R CB -0.778 29.536 30.300 0.024 0.000 0.850 291 R HN 0.119 nan 8.270 nan 0.000 0.433 292 L N 0.313 121.552 121.223 0.025 0.000 2.046 292 L HA -0.004 4.351 4.340 0.026 0.000 0.208 292 L C 2.105 178.987 176.870 0.019 0.000 1.077 292 L CA 2.222 57.077 54.840 0.025 0.000 0.747 292 L CB -1.106 40.965 42.059 0.021 0.000 0.896 292 L HN 0.296 nan 8.230 nan 0.000 0.432 293 A N -1.594 121.232 122.820 0.010 0.000 1.865 293 A HA -0.273 4.063 4.320 0.026 0.000 0.217 293 A C 2.541 180.144 177.584 0.032 0.000 1.191 293 A CA 2.219 54.263 52.037 0.012 0.000 0.623 293 A CB -1.330 17.670 19.000 0.000 0.000 0.826 293 A HN 0.530 nan 8.150 nan 0.000 0.444 294 S N -0.497 115.220 115.700 0.028 0.000 2.359 294 S HA -0.095 4.390 4.470 0.026 0.000 0.224 294 S C 2.185 176.813 174.600 0.046 0.000 1.035 294 S CA 1.796 60.015 58.200 0.033 0.000 1.018 294 S CB -0.544 62.670 63.200 0.023 0.000 0.876 294 S HN 0.882 nan 8.310 nan 0.000 0.448 295 A N 1.164 124.013 122.820 0.047 0.000 1.902 295 A HA 0.048 4.383 4.320 0.026 0.000 0.217 295 A C 2.233 179.877 177.584 0.101 0.000 1.181 295 A CA 1.454 53.527 52.037 0.060 0.000 0.623 295 A CB -0.785 18.245 19.000 0.051 0.000 0.818 295 A HN 0.579 nan 8.150 nan 0.000 0.443 296 L N -0.896 120.396 121.223 0.115 0.000 2.083 296 L HA -0.252 4.104 4.340 0.026 0.000 0.209 296 L C 2.883 179.921 176.870 0.280 0.000 1.083 296 L CA 1.552 56.527 54.840 0.225 0.000 0.752 296 L CB -0.510 41.609 42.059 0.101 0.000 0.899 296 L HN 0.482 nan 8.230 nan 0.000 0.433 297 Q N -0.517 119.375 119.800 0.153 0.000 2.124 297 Q HA -0.225 4.130 4.340 0.026 0.000 0.202 297 Q C 2.016 178.056 176.000 0.066 0.000 0.977 297 Q CA 1.489 57.357 55.803 0.108 0.000 0.850 297 Q CB -0.314 28.465 28.738 0.069 0.000 0.901 297 Q HN 0.511 nan 8.270 nan 0.000 0.429 298 N N 0.517 119.254 118.700 0.062 0.000 2.205 298 N HA -0.180 4.575 4.740 0.026 0.000 0.186 298 N C 1.096 176.617 175.510 0.018 0.000 1.015 298 N CA 0.811 53.882 53.050 0.034 0.000 0.862 298 N CB 0.237 38.745 38.487 0.035 0.000 0.986 298 N HN 0.199 nan 8.380 nan 0.000 0.429 299 E N -0.288 119.942 120.200 0.050 0.000 2.482 299 E HA 0.009 4.374 4.350 0.026 0.000 0.196 299 E C 1.091 177.548 176.600 -0.238 0.000 1.047 299 E CA 0.615 57.002 56.400 -0.022 0.000 0.869 299 E CB -0.038 29.748 29.700 0.145 0.000 0.836 299 E HN 0.592 nan 8.360 nan 0.000 0.520 300 G N 0.806 109.504 108.800 -0.171 0.000 2.159 300 G HA2 -0.238 3.737 3.960 0.026 0.000 0.227 300 G HA3 -0.238 3.737 3.960 0.026 0.000 0.227 300 G C -0.032 174.709 174.900 -0.265 0.000 0.986 300 G CA -0.299 44.663 45.100 -0.231 0.000 0.651 300 G HN 0.139 nan 8.290 nan 0.000 0.523 301 F N 1.730 121.684 119.950 0.007 0.000 2.389 301 F HA 0.574 5.117 4.527 0.027 0.000 0.337 301 F C 1.169 176.974 175.800 0.008 0.000 1.112 301 F CA 0.043 58.047 58.000 0.007 0.000 1.192 301 F CB 1.271 40.274 39.000 0.005 0.000 1.185 301 F HN -0.080 nan 8.300 nan 0.000 0.552 302 T N 4.685 119.368 114.554 0.217 0.000 2.799 302 T HA 0.552 4.918 4.350 0.026 0.000 0.286 302 T C -0.197 174.572 174.700 0.114 0.000 0.973 302 T CA -0.522 61.657 62.100 0.132 0.000 1.035 302 T CB 0.373 69.301 68.868 0.100 0.000 0.932 302 T HN 0.274 nan 8.240 nan 0.000 0.469 303 L N 2.980 124.254 121.223 0.085 0.000 2.317 303 L HA 0.500 4.855 4.340 0.026 0.000 0.281 303 L C 0.128 177.032 176.870 0.057 0.000 1.024 303 L CA -1.354 53.514 54.840 0.046 0.000 0.810 303 L CB 1.551 43.628 42.059 0.031 0.000 1.240 303 L HN 0.319 nan 8.230 nan 0.000 0.427 304 V N 2.879 122.792 119.914 -0.003 0.000 2.557 304 V HA -0.082 4.053 4.120 0.026 0.000 0.301 304 V C 1.167 177.326 176.094 0.110 0.000 1.026 304 V CA 1.312 63.591 62.300 -0.035 0.000 1.137 304 V CB 0.742 32.446 31.823 -0.199 0.000 0.917 304 V HN 1.180 nan 8.190 nan 0.000 0.484 305 S N 2.479 118.422 115.700 0.404 0.000 2.929 305 S HA -0.210 4.276 4.470 0.026 0.000 0.271 305 S C 1.340 175.994 174.600 0.090 0.000 1.295 305 S CA 1.138 59.465 58.200 0.211 0.000 1.277 305 S CB -1.936 61.308 63.200 0.073 0.000 1.557 305 S HN 2.823 nan 8.310 nan 0.000 0.666 306 G N -0.348 108.509 108.800 0.095 0.000 2.148 306 G HA2 0.318 4.294 3.960 0.026 0.000 0.254 306 G HA3 0.318 4.294 3.960 0.026 0.000 0.254 306 G C 0.960 175.875 174.900 0.026 0.000 0.981 306 G CA 0.621 45.751 45.100 0.050 0.000 0.670 306 G HN 2.646 nan 8.290 nan 0.000 0.528 307 G N -2.642 106.165 108.800 0.012 0.000 2.439 307 G HA2 0.632 4.607 3.960 0.026 0.000 0.186 307 G HA3 0.632 4.607 3.960 0.026 0.000 0.186 307 G C -0.511 174.367 174.900 -0.037 0.000 1.260 307 G CA 0.932 46.028 45.100 -0.008 0.000 1.020 307 G HN 1.897 nan 8.290 nan 0.000 0.470 308 T N -0.862 113.668 114.554 -0.040 0.000 2.942 308 T HA 0.557 4.922 4.350 0.026 0.000 0.327 308 T C -1.179 173.498 174.700 -0.038 0.000 1.360 308 T CA 0.144 62.208 62.100 -0.060 0.000 1.055 308 T CB 1.829 70.659 68.868 -0.064 0.000 1.261 308 T HN 0.313 nan 8.240 nan 0.000 0.485 309 D N 1.986 122.364 120.400 -0.037 0.000 2.407 309 D HA 0.188 4.844 4.640 0.026 0.000 0.208 309 D C 0.733 177.066 176.300 0.055 0.000 1.083 309 D CA 0.290 54.290 54.000 -0.000 0.000 0.844 309 D CB 0.525 41.319 40.800 -0.010 0.000 0.967 309 D HN 0.666 nan 8.370 nan 0.000 0.506 310 N N -0.738 117.999 118.700 0.061 0.000 3.567 310 N HA -0.026 4.730 4.740 0.026 0.000 0.347 310 N C 0.961 176.549 175.510 0.129 0.000 1.553 310 N CA -0.319 52.828 53.050 0.161 0.000 0.636 310 N CB -0.232 38.433 38.487 0.297 0.000 2.483 310 N HN -0.144 nan 8.380 nan 0.000 0.608 311 H N -0.937 118.155 119.070 0.036 0.000 2.548 311 H HA 0.327 4.899 4.556 0.026 0.000 0.265 311 H C 0.022 175.363 175.328 0.022 0.000 0.969 311 H CA -0.103 55.956 56.048 0.018 0.000 1.155 311 H CB -0.352 29.428 29.762 0.031 0.000 1.394 311 H HN 0.510 nan 8.280 nan 0.000 0.570 312 L N 0.062 120.990 121.223 -0.491 0.000 2.371 312 L HA 0.673 5.028 4.340 0.026 0.000 0.262 312 L C -1.255 175.479 176.870 -0.227 0.000 1.006 312 L CA -1.582 53.008 54.840 -0.417 0.000 0.818 312 L CB 2.336 44.020 42.059 -0.624 0.000 1.354 312 L HN 0.031 nan 8.230 nan 0.000 0.415 313 L N 0.376 121.502 121.223 -0.162 0.000 2.415 313 L HA 0.824 5.179 4.340 0.026 0.000 0.256 313 L C -1.577 175.227 176.870 -0.110 0.000 1.010 313 L CA -0.815 53.954 54.840 -0.119 0.000 0.826 313 L CB 2.042 44.050 42.059 -0.085 0.000 1.405 313 L HN 0.667 nan 8.230 nan 0.000 0.410 314 L N 2.102 123.267 121.223 -0.096 0.000 2.349 314 L HA 0.646 5.002 4.340 0.026 0.000 0.278 314 L C -0.823 176.000 176.870 -0.079 0.000 0.996 314 L CA -0.915 53.870 54.840 -0.092 0.000 0.825 314 L CB 2.190 44.191 42.059 -0.097 0.000 1.243 314 L HN 0.508 nan 8.230 nan 0.000 0.412 315 V N 1.942 121.803 119.914 -0.087 0.000 2.432 315 V HA 0.100 4.235 4.120 0.026 0.000 0.271 315 V C -0.045 176.027 176.094 -0.037 0.000 1.046 315 V CA -0.388 61.869 62.300 -0.071 0.000 0.945 315 V CB 1.350 33.076 31.823 -0.161 0.000 0.992 315 V HN 0.609 nan 8.190 nan 0.000 0.471 316 D N 4.719 125.119 120.400 0.001 0.000 2.365 316 D HA 0.217 4.873 4.640 0.026 0.000 0.237 316 D C 0.620 176.957 176.300 0.062 0.000 1.190 316 D CA -0.076 53.932 54.000 0.012 0.000 0.867 316 D CB 1.091 41.898 40.800 0.012 0.000 1.050 316 D HN 0.450 nan 8.370 nan 0.000 0.491 317 L N 3.556 124.811 121.223 0.054 0.000 2.591 317 L HA 0.184 4.540 4.340 0.026 0.000 0.228 317 L C 2.339 179.255 176.870 0.075 0.000 1.133 317 L CA -0.150 54.744 54.840 0.090 0.000 0.880 317 L CB -0.033 42.067 42.059 0.069 0.000 1.033 317 L HN 0.284 nan 8.230 nan 0.000 0.450 318 R N 0.725 121.258 120.500 0.056 0.000 2.103 318 R HA -0.181 4.174 4.340 0.026 0.000 0.242 318 R C -0.367 175.960 176.300 0.045 0.000 1.142 318 R CA 1.656 57.784 56.100 0.046 0.000 0.960 318 R CB -1.534 28.792 30.300 0.042 0.000 0.858 318 R HN 0.316 nan 8.270 nan 0.000 0.439 319 P HA -0.136 nan 4.420 nan 0.000 0.219 319 P C 0.561 177.875 177.300 0.024 0.000 1.146 319 P CA 1.269 64.389 63.100 0.032 0.000 0.808 319 P CB 0.123 31.841 31.700 0.031 0.000 0.779 320 Q N -1.169 118.658 119.800 0.045 0.000 2.360 320 Q HA 0.100 4.456 4.340 0.026 0.000 0.202 320 Q C 0.294 176.318 176.000 0.040 0.000 0.915 320 Q CA 0.145 55.973 55.803 0.041 0.000 0.943 320 Q CB -0.458 28.332 28.738 0.088 0.000 1.064 320 Q HN 0.120 nan 8.270 nan 0.000 0.511 321 Q N -0.364 119.459 119.800 0.038 0.000 2.453 321 Q HA -0.218 4.137 4.340 0.026 0.000 0.294 321 Q C -0.927 175.095 176.000 0.037 0.000 1.295 321 Q CA 0.778 56.601 55.803 0.033 0.000 0.853 321 Q CB -2.006 26.747 28.738 0.024 0.000 1.193 321 Q HN 0.397 nan 8.270 nan 0.000 0.461 322 L N -0.013 121.238 121.223 0.047 0.000 2.354 322 L HA 0.512 4.867 4.340 0.026 0.000 0.269 322 L C 0.947 177.841 176.870 0.040 0.000 1.005 322 L CA -0.675 54.193 54.840 0.047 0.000 0.819 322 L CB 1.906 44.002 42.059 0.062 0.000 1.311 322 L HN 0.103 nan 8.230 nan 0.000 0.423 323 T N -1.751 112.822 114.554 0.033 0.000 2.899 323 T HA 0.263 4.628 4.350 0.026 0.000 0.284 323 T C 1.255 175.967 174.700 0.021 0.000 1.004 323 T CA -0.086 62.030 62.100 0.027 0.000 1.043 323 T CB 1.642 70.527 68.868 0.028 0.000 1.013 323 T HN 0.703 nan 8.240 nan 0.000 0.518 324 G N 0.401 109.208 108.800 0.011 0.000 2.442 324 G HA2 -0.227 3.748 3.960 0.026 0.000 0.219 324 G HA3 -0.227 3.748 3.960 0.026 0.000 0.219 324 G C 1.368 176.271 174.900 0.005 0.000 1.141 324 G CA 0.947 46.046 45.100 -0.001 0.000 0.763 324 G HN 0.851 nan 8.290 nan 0.000 0.554 325 K N -0.220 120.189 120.400 0.016 0.000 2.026 325 K HA -0.104 4.231 4.320 0.026 0.000 0.208 325 K C 2.582 179.195 176.600 0.021 0.000 1.048 325 K CA 1.748 58.049 56.287 0.023 0.000 0.929 325 K CB -0.314 32.208 32.500 0.036 0.000 0.713 325 K HN 0.278 nan 8.250 nan 0.000 0.439 326 T N 0.734 115.301 114.554 0.023 0.000 2.708 326 T HA -0.110 4.255 4.350 0.026 0.000 0.266 326 T C 1.851 176.564 174.700 0.022 0.000 1.037 326 T CA 1.300 63.415 62.100 0.024 0.000 1.146 326 T CB -0.292 68.593 68.868 0.028 0.000 0.865 326 T HN 0.418 nan 8.240 nan 0.000 0.435 327 A N 1.442 124.273 122.820 0.019 0.000 1.877 327 A HA -0.163 4.172 4.320 0.026 0.000 0.216 327 A C 2.219 179.804 177.584 0.002 0.000 1.186 327 A CA 2.010 54.054 52.037 0.012 0.000 0.620 327 A CB -0.744 18.257 19.000 0.000 0.000 0.822 327 A HN 0.619 nan 8.150 nan 0.000 0.443 328 E N -0.132 120.068 120.200 -0.001 0.000 2.070 328 E HA -0.291 4.075 4.350 0.026 0.000 0.197 328 E C 2.117 178.721 176.600 0.007 0.000 1.004 328 E CA 1.787 58.186 56.400 -0.001 0.000 0.805 328 E CB -0.167 29.533 29.700 0.000 0.000 0.744 328 E HN 0.628 nan 8.360 nan 0.000 0.451 329 K N 0.202 120.610 120.400 0.013 0.000 2.026 329 K HA -0.129 4.207 4.320 0.026 0.000 0.208 329 K C 2.167 178.777 176.600 0.016 0.000 1.048 329 K CA 1.380 57.676 56.287 0.015 0.000 0.929 329 K CB -0.209 32.301 32.500 0.018 0.000 0.713 329 K HN 0.146 nan 8.250 nan 0.000 0.439 330 V N 1.378 121.302 119.914 0.018 0.000 2.453 330 V HA -0.157 3.978 4.120 0.026 0.000 0.247 330 V C 2.061 178.166 176.094 0.019 0.000 1.048 330 V CA 1.306 63.618 62.300 0.020 0.000 1.049 330 V CB -0.151 31.688 31.823 0.026 0.000 0.672 330 V HN 0.330 nan 8.190 nan 0.000 0.457 331 L N 0.075 121.306 121.223 0.014 0.000 2.093 331 L HA -0.158 4.197 4.340 0.026 0.000 0.208 331 L C 2.338 179.216 176.870 0.013 0.000 1.085 331 L CA 2.132 56.978 54.840 0.011 0.000 0.755 331 L CB -0.667 41.391 42.059 -0.001 0.000 0.904 331 L HN 0.449 nan 8.230 nan 0.000 0.435 332 D N 0.273 120.680 120.400 0.012 0.000 2.158 332 D HA -0.247 4.408 4.640 0.026 0.000 0.197 332 D C 1.970 178.279 176.300 0.016 0.000 0.995 332 D CA 1.356 55.364 54.000 0.014 0.000 0.846 332 D CB 0.113 40.921 40.800 0.014 0.000 0.941 332 D HN 0.318 nan 8.370 nan 0.000 0.456 333 E N -0.592 119.618 120.200 0.017 0.000 2.204 333 E HA -0.133 4.232 4.350 0.026 0.000 0.195 333 E C 1.984 178.595 176.600 0.019 0.000 0.990 333 E CA 1.193 57.603 56.400 0.017 0.000 0.821 333 E CB 0.121 29.831 29.700 0.018 0.000 0.750 333 E HN 0.468 nan 8.360 nan 0.000 0.477 334 V N -3.727 116.199 119.914 0.020 0.000 3.578 334 V HA 0.457 4.592 4.120 0.026 0.000 0.290 334 V C 1.062 177.171 176.094 0.024 0.000 1.376 334 V CA 0.422 62.736 62.300 0.022 0.000 1.083 334 V CB 0.314 32.152 31.823 0.025 0.000 0.911 334 V HN 0.226 nan 8.190 nan 0.000 0.433 335 G N 0.991 109.804 108.800 0.022 0.000 2.131 335 G HA2 -0.187 3.788 3.960 0.026 0.000 0.223 335 G HA3 -0.187 3.788 3.960 0.026 0.000 0.223 335 G C -0.230 174.685 174.900 0.026 0.000 0.990 335 G CA 0.178 45.292 45.100 0.023 0.000 0.671 335 G HN 0.605 nan 8.290 nan 0.000 0.521 336 I N 1.904 122.488 120.570 0.024 0.000 2.339 336 I HA 0.350 4.535 4.170 0.026 0.000 0.290 336 I C 0.151 176.276 176.117 0.013 0.000 0.994 336 I CA -0.577 60.736 61.300 0.022 0.000 1.191 336 I CB 1.786 39.798 38.000 0.020 0.000 1.343 336 I HN 0.020 nan 8.210 nan 0.000 0.458 337 T N 6.595 121.157 114.554 0.012 0.000 2.762 337 T HA 0.460 4.825 4.350 0.026 0.000 0.303 337 T C 0.031 174.731 174.700 -0.001 0.000 0.977 337 T CA -0.517 61.588 62.100 0.008 0.000 0.961 337 T CB 0.677 69.554 68.868 0.014 0.000 0.944 337 T HN 0.433 nan 8.240 nan 0.000 0.481 338 V N 1.212 121.122 119.914 -0.007 0.000 3.155 338 V HA 0.782 4.917 4.120 0.026 0.000 0.313 338 V C -0.900 175.187 176.094 -0.011 0.000 1.162 338 V CA -1.407 60.883 62.300 -0.016 0.000 1.048 338 V CB 2.411 34.214 31.823 -0.033 0.000 1.092 338 V HN 0.846 nan 8.190 nan 0.000 0.447 339 N N 0.369 119.060 118.700 -0.015 0.000 2.269 339 N HA 0.350 5.105 4.740 0.026 0.000 0.304 339 N C -0.702 174.793 175.510 -0.026 0.000 1.072 339 N CA -0.802 52.239 53.050 -0.014 0.000 0.802 339 N CB 2.542 41.025 38.487 -0.007 0.000 1.348 339 N HN 0.991 nan 8.380 nan 0.000 0.484 340 K N 1.277 121.663 120.400 -0.023 0.000 2.518 340 K HA 0.033 4.369 4.320 0.026 0.000 0.276 340 K C -0.936 175.638 176.600 -0.044 0.000 0.974 340 K CA 0.040 56.310 56.287 -0.029 0.000 0.986 340 K CB 0.257 32.746 32.500 -0.018 0.000 0.901 340 K HN 0.719 nan 8.250 nan 0.000 0.497 341 N N 0.620 119.289 118.700 -0.051 0.000 2.452 341 N HA 0.074 4.829 4.740 0.026 0.000 0.277 341 N C -1.683 173.788 175.510 -0.065 0.000 1.078 341 N CA -0.557 52.455 53.050 -0.063 0.000 0.947 341 N CB 1.752 40.203 38.487 -0.061 0.000 1.655 341 N HN 0.791 nan 8.380 nan 0.000 0.490 342 T N 0.801 115.310 114.554 -0.074 0.000 2.932 342 T HA 0.310 4.676 4.350 0.026 0.000 0.312 342 T C 0.756 175.412 174.700 -0.073 0.000 1.071 342 T CA -0.388 61.672 62.100 -0.067 0.000 1.128 342 T CB -0.031 68.795 68.868 -0.071 0.000 0.984 342 T HN 0.433 nan 8.240 nan 0.000 0.549 343 I N -0.781 119.742 120.570 -0.078 0.000 2.793 343 I HA 0.648 4.834 4.170 0.026 0.000 0.313 343 I C -2.867 173.159 176.117 -0.152 0.000 0.998 343 I CA -3.737 57.490 61.300 -0.122 0.000 1.140 343 I CB 1.205 39.129 38.000 -0.127 0.000 1.327 343 I HN 0.317 nan 8.210 nan 0.000 0.491 344 P HA 0.025 nan 4.420 nan 0.000 0.262 344 P C -1.235 175.956 177.300 -0.182 0.000 1.182 344 P CA 0.741 63.563 63.100 -0.463 0.000 0.761 344 P CB -0.219 31.261 31.700 -0.368 0.000 0.795 345 Y N -0.553 119.661 120.300 -0.144 0.000 4.177 345 Y HA -0.265 4.300 4.550 0.026 0.000 0.227 345 Y C 0.827 176.729 175.900 0.003 0.000 1.154 345 Y CA 0.336 58.433 58.100 -0.005 0.000 1.887 345 Y CB -2.447 36.015 38.460 0.003 0.000 1.594 345 Y HN 0.393 nan 8.280 nan 0.000 0.668 346 D N 2.213 122.636 120.400 0.038 0.000 2.487 346 D HA 0.009 4.665 4.640 0.026 0.000 0.243 346 D C -0.773 175.558 176.300 0.052 0.000 1.154 346 D CA -0.754 53.265 54.000 0.031 0.000 0.876 346 D CB 1.059 41.856 40.800 -0.006 0.000 1.161 346 D HN 0.185 nan 8.370 nan 0.000 0.478 347 P HA 0.008 nan 4.420 nan 0.000 0.236 347 P C -0.015 177.311 177.300 0.044 0.000 1.177 347 P CA 0.462 63.594 63.100 0.054 0.000 0.773 347 P CB 0.642 32.372 31.700 0.051 0.000 0.878 348 E N 0.493 120.715 120.200 0.037 0.000 2.250 348 E HA 0.244 4.610 4.350 0.026 0.000 0.269 348 E C 0.420 177.045 176.600 0.041 0.000 1.018 348 E CA -0.462 55.962 56.400 0.039 0.000 0.873 348 E CB 1.316 31.037 29.700 0.034 0.000 1.134 348 E HN 0.054 nan 8.360 nan 0.000 0.403 349 S N 1.112 116.852 115.700 0.066 0.000 2.584 349 S HA 0.102 4.587 4.470 0.026 0.000 0.270 349 S C -1.628 173.003 174.600 0.051 0.000 1.346 349 S CA -0.911 57.346 58.200 0.095 0.000 1.018 349 S CB 0.673 63.984 63.200 0.186 0.000 0.899 349 S HN 0.246 nan 8.310 nan 0.000 0.542 350 P HA -0.012 nan 4.420 nan 0.000 0.228 350 P C 0.621 177.741 177.300 -0.299 0.000 1.151 350 P CA 1.006 63.983 63.100 -0.204 0.000 0.770 350 P CB -0.223 31.273 31.700 -0.339 0.000 0.786 351 F N -1.496 118.443 119.950 -0.017 0.000 2.743 351 F HA 0.017 4.559 4.527 0.025 0.000 0.297 351 F C 2.132 177.927 175.800 -0.009 0.000 1.131 351 F CA 0.437 58.429 58.000 -0.013 0.000 1.426 351 F CB -0.299 38.694 39.000 -0.012 0.000 1.116 351 F HN -0.254 nan 8.300 nan 0.000 0.583 352 V N -1.883 118.112 119.914 0.135 0.000 3.001 352 V HA 0.162 4.297 4.120 0.026 0.000 0.228 352 V C 0.621 176.736 176.094 0.035 0.000 1.204 352 V CA 0.888 63.237 62.300 0.081 0.000 1.247 352 V CB -0.088 31.781 31.823 0.076 0.000 1.093 352 V HN 0.371 nan 8.190 nan 0.000 0.504 353 T N -0.811 113.756 114.554 0.022 0.000 0.541 353 T HA -0.223 4.143 4.350 0.026 0.000 0.774 353 T C 0.135 174.838 174.700 0.005 0.000 0.992 353 T CA 0.352 62.451 62.100 -0.002 0.000 4.077 353 T CB -1.462 67.391 68.868 -0.026 0.000 2.303 353 T HN 0.363 nan 8.240 nan 0.000 0.398 354 S N 1.003 116.701 115.700 -0.003 0.000 2.602 354 S HA 0.588 5.073 4.470 0.026 0.000 0.240 354 S C 0.730 175.326 174.600 -0.006 0.000 0.992 354 S CA -0.049 58.154 58.200 0.004 0.000 0.971 354 S CB 0.638 63.844 63.200 0.010 0.000 0.855 354 S HN 1.229 nan 8.310 nan 0.000 0.481 355 G N 1.557 110.344 108.800 -0.022 0.000 2.672 355 G HA2 0.730 4.706 3.960 0.026 0.000 0.292 355 G HA3 0.730 4.706 3.960 0.026 0.000 0.292 355 G C -1.215 173.659 174.900 -0.044 0.000 1.375 355 G CA -0.896 44.182 45.100 -0.037 0.000 0.890 355 G HN 0.310 nan 8.290 nan 0.000 0.476 356 I N -1.873 118.660 120.570 -0.061 0.000 2.608 356 I HA 0.742 4.927 4.170 0.026 0.000 0.295 356 I C -0.340 175.731 176.117 -0.076 0.000 1.049 356 I CA -1.214 60.046 61.300 -0.066 0.000 1.063 356 I CB 2.487 40.441 38.000 -0.076 0.000 1.248 356 I HN 0.436 nan 8.210 nan 0.000 0.424 357 R N 5.566 126.027 120.500 -0.064 0.000 2.368 357 R HA 0.774 5.129 4.340 0.026 0.000 0.302 357 R C -1.517 174.748 176.300 -0.058 0.000 1.002 357 R CA -0.536 55.524 56.100 -0.067 0.000 0.929 357 R CB 1.283 31.549 30.300 -0.056 0.000 1.073 357 R HN 0.812 nan 8.270 nan 0.000 0.464 358 I N 2.479 123.007 120.570 -0.070 0.000 2.619 358 I HA 0.450 4.635 4.170 0.026 0.000 0.292 358 I C -0.057 176.026 176.117 -0.057 0.000 1.100 358 I CA -0.743 60.524 61.300 -0.056 0.000 1.043 358 I CB 2.497 40.455 38.000 -0.069 0.000 1.239 358 I HN 0.776 nan 8.210 nan 0.000 0.420 359 G N 1.337 110.126 108.800 -0.019 0.000 2.574 359 G HA2 0.516 4.491 3.960 0.026 0.000 0.299 359 G HA3 0.516 4.491 3.960 0.026 0.000 0.299 359 G C 0.118 175.038 174.900 0.034 0.000 1.298 359 G CA -0.246 44.857 45.100 0.005 0.000 0.952 359 G HN 0.580 nan 8.290 nan 0.000 0.477 360 T N -2.360 112.229 114.554 0.058 0.000 3.054 360 T HA 0.365 4.730 4.350 0.026 0.000 0.255 360 T C 2.186 176.923 174.700 0.062 0.000 1.035 360 T CA 1.229 63.360 62.100 0.051 0.000 0.941 360 T CB 0.612 69.507 68.868 0.045 0.000 1.026 360 T HN 0.742 nan 8.240 nan 0.000 0.533 361 A N 2.016 124.888 122.820 0.088 0.000 1.892 361 A HA 0.200 4.535 4.320 0.026 0.000 0.218 361 A C 2.707 180.379 177.584 0.147 0.000 1.188 361 A CA 1.976 54.081 52.037 0.114 0.000 0.631 361 A CB -1.377 17.689 19.000 0.110 0.000 0.822 361 A HN 0.737 nan 8.150 nan 0.000 0.447 362 A N -0.230 122.601 122.820 0.019 0.000 1.872 362 A HA 0.041 4.376 4.320 0.026 0.000 0.214 362 A C 2.340 179.983 177.584 0.098 0.000 1.187 362 A CA 2.196 54.195 52.037 -0.064 0.000 0.614 362 A CB -1.300 17.504 19.000 -0.327 0.000 0.826 362 A HN 1.151 nan 8.150 nan 0.000 0.442 363 V N -2.308 117.585 119.914 -0.035 0.000 2.490 363 V HA -0.184 3.952 4.120 0.026 0.000 0.250 363 V C 2.162 178.208 176.094 -0.080 0.000 1.061 363 V CA 2.674 64.803 62.300 -0.285 0.000 1.064 363 V CB -1.942 29.633 31.823 -0.414 0.000 0.670 363 V HN 0.423 nan 8.190 nan 0.000 0.461 364 T N 0.533 115.153 114.554 0.110 0.000 2.746 364 T HA -0.169 4.196 4.350 0.026 0.000 0.267 364 T C 1.956 176.840 174.700 0.307 0.000 1.039 364 T CA 2.300 64.535 62.100 0.225 0.000 1.142 364 T CB -0.677 68.297 68.868 0.177 0.000 0.866 364 T HN 0.647 nan 8.240 nan 0.000 0.444 365 T N 1.850 116.597 114.554 0.321 0.000 2.720 365 T HA -0.086 4.279 4.350 0.026 0.000 0.268 365 T C 1.955 176.722 174.700 0.111 0.000 1.037 365 T CA 1.000 63.184 62.100 0.139 0.000 1.144 365 T CB -0.201 68.741 68.868 0.122 0.000 0.864 365 T HN 0.367 nan 8.240 nan 0.000 0.444 366 R N 0.278 120.841 120.500 0.104 0.000 2.339 366 R HA 0.144 4.499 4.340 0.026 0.000 0.199 366 R C 1.697 178.090 176.300 0.154 0.000 1.018 366 R CA 0.575 56.694 56.100 0.032 0.000 1.036 366 R CB -0.027 30.188 30.300 -0.143 0.000 0.899 366 R HN 0.511 nan 8.270 nan 0.000 0.473 367 G N 0.192 109.114 108.800 0.203 0.000 2.144 367 G HA2 -0.263 3.713 3.960 0.026 0.000 0.218 367 G HA3 -0.263 3.713 3.960 0.026 0.000 0.218 367 G C 0.142 175.250 174.900 0.347 0.000 0.988 367 G CA -0.636 44.605 45.100 0.235 0.000 0.659 367 G HN 0.264 nan 8.290 nan 0.000 0.522 368 F N 0.894 120.886 119.950 0.070 0.000 2.518 368 F HA 0.448 4.991 4.527 0.028 0.000 0.359 368 F C 1.481 177.310 175.800 0.049 0.000 1.118 368 F CA 0.262 58.294 58.000 0.053 0.000 1.287 368 F CB 1.047 40.080 39.000 0.055 0.000 1.132 368 F HN 0.226 nan 8.300 nan 0.000 0.587 369 G N 2.053 110.946 108.800 0.155 0.000 3.262 369 G HA2 0.410 4.386 3.960 0.026 0.000 0.229 369 G HA3 0.410 4.386 3.960 0.026 0.000 0.229 369 G C 0.462 175.397 174.900 0.058 0.000 1.280 369 G CA -0.817 44.338 45.100 0.091 0.000 0.951 369 G HN 0.563 nan 8.290 nan 0.000 0.589 370 L N -0.055 121.189 121.223 0.034 0.000 2.046 370 L HA -0.042 4.313 4.340 0.026 0.000 0.208 370 L C 2.793 179.668 176.870 0.008 0.000 1.077 370 L CA 1.089 55.944 54.840 0.024 0.000 0.747 370 L CB -0.315 41.755 42.059 0.017 0.000 0.896 370 L HN 0.366 nan 8.230 nan 0.000 0.432 371 E N 0.479 120.672 120.200 -0.012 0.000 2.077 371 E HA -0.219 4.146 4.350 0.026 0.000 0.193 371 E C 2.113 178.679 176.600 -0.057 0.000 0.989 371 E CA 1.256 57.637 56.400 -0.032 0.000 0.800 371 E CB -0.182 29.490 29.700 -0.046 0.000 0.746 371 E HN 0.481 nan 8.360 nan 0.000 0.452 372 E N 0.177 120.319 120.200 -0.098 0.000 2.110 372 E HA -0.126 4.239 4.350 0.026 0.000 0.193 372 E C 1.972 178.567 176.600 -0.009 0.000 0.988 372 E CA 0.823 57.125 56.400 -0.163 0.000 0.804 372 E CB -0.178 29.274 29.700 -0.413 0.000 0.745 372 E HN 0.147 nan 8.360 nan 0.000 0.458 373 M N 0.803 120.430 119.600 0.045 0.000 2.065 373 M HA -0.155 4.340 4.480 0.026 0.000 0.259 373 M C 1.442 177.768 176.300 0.043 0.000 1.069 373 M CA 1.487 56.827 55.300 0.067 0.000 1.110 373 M CB -1.052 31.585 32.600 0.061 0.000 1.328 373 M HN 0.041 nan 8.290 nan 0.000 0.405 374 D N 0.094 120.510 120.400 0.025 0.000 2.133 374 D HA -0.195 4.460 4.640 0.026 0.000 0.195 374 D C 2.010 178.324 176.300 0.024 0.000 0.997 374 D CA 1.457 55.471 54.000 0.024 0.000 0.840 374 D CB -0.248 40.559 40.800 0.012 0.000 0.947 374 D HN 0.407 nan 8.370 nan 0.000 0.452 375 E N 0.465 120.670 120.200 0.007 0.000 2.072 375 E HA -0.059 4.306 4.350 0.026 0.000 0.190 375 E C 2.117 178.734 176.600 0.029 0.000 0.982 375 E CA 0.575 56.977 56.400 0.005 0.000 0.803 375 E CB -0.342 29.338 29.700 -0.032 0.000 0.755 375 E HN 0.277 nan 8.360 nan 0.000 0.453 376 I N 0.525 121.123 120.570 0.046 0.000 2.226 376 I HA -0.283 3.902 4.170 0.026 0.000 0.245 376 I C 2.371 178.519 176.117 0.051 0.000 1.100 376 I CA 1.145 62.485 61.300 0.067 0.000 1.374 376 I CB -0.406 37.656 38.000 0.104 0.000 1.057 376 I HN 0.218 nan 8.210 nan 0.000 0.413 377 A N 0.686 123.538 122.820 0.052 0.000 1.902 377 A HA -0.190 4.145 4.320 0.026 0.000 0.217 377 A C 2.548 180.197 177.584 0.107 0.000 1.181 377 A CA 1.923 54.001 52.037 0.069 0.000 0.623 377 A CB -0.906 18.140 19.000 0.077 0.000 0.818 377 A HN 0.436 nan 8.150 nan 0.000 0.443 378 A N -0.108 122.761 122.820 0.081 0.000 1.908 378 A HA -0.108 4.228 4.320 0.026 0.000 0.218 378 A C 2.117 179.749 177.584 0.080 0.000 1.181 378 A CA 1.628 53.712 52.037 0.077 0.000 0.627 378 A CB -0.637 18.390 19.000 0.046 0.000 0.818 378 A HN 0.507 nan 8.150 nan 0.000 0.445 379 I N -0.363 120.245 120.570 0.064 0.000 2.226 379 I HA -0.246 3.939 4.170 0.026 0.000 0.245 379 I C 2.273 178.434 176.117 0.074 0.000 1.100 379 I CA 1.231 62.567 61.300 0.059 0.000 1.374 379 I CB -0.312 37.716 38.000 0.047 0.000 1.057 379 I HN 0.298 nan 8.210 nan 0.000 0.413 380 I N 0.680 121.293 120.570 0.071 0.000 2.208 380 I HA -0.235 3.950 4.170 0.026 0.000 0.245 380 I C 2.694 178.938 176.117 0.211 0.000 1.097 380 I CA 1.656 62.992 61.300 0.059 0.000 1.363 380 I CB -0.978 36.976 38.000 -0.078 0.000 1.051 380 I HN 0.288 nan 8.210 nan 0.000 0.413 381 G N 1.188 110.186 108.800 0.331 0.000 2.446 381 G HA2 -0.293 3.682 3.960 0.026 0.000 0.217 381 G HA3 -0.293 3.682 3.960 0.026 0.000 0.217 381 G C 1.659 176.663 174.900 0.173 0.000 1.168 381 G CA 0.891 46.208 45.100 0.361 0.000 0.771 381 G HN 0.287 nan 8.290 nan 0.000 0.551 382 L N 0.676 121.968 121.223 0.115 0.000 2.012 382 L HA -0.069 4.286 4.340 0.026 0.000 0.210 382 L C 2.894 179.808 176.870 0.073 0.000 1.073 382 L CA 1.671 56.553 54.840 0.071 0.000 0.748 382 L CB -0.545 41.546 42.059 0.054 0.000 0.891 382 L HN 0.097 nan 8.230 nan 0.000 0.431 383 V N -0.443 119.522 119.914 0.086 0.000 2.270 383 V HA -0.265 3.871 4.120 0.026 0.000 0.245 383 V C 2.468 178.616 176.094 0.089 0.000 1.043 383 V CA 2.000 64.343 62.300 0.073 0.000 1.014 383 V CB -0.488 31.371 31.823 0.059 0.000 0.645 383 V HN 0.435 nan 8.190 nan 0.000 0.447 384 L N -0.607 120.703 121.223 0.144 0.000 2.291 384 L HA -0.085 4.270 4.340 0.026 0.000 0.214 384 L C 2.221 179.169 176.870 0.130 0.000 1.120 384 L CA 1.232 56.175 54.840 0.171 0.000 0.799 384 L CB -0.455 41.785 42.059 0.302 0.000 0.925 384 L HN 0.305 nan 8.230 nan 0.000 0.446 385 K N -0.093 120.365 120.400 0.097 0.000 2.426 385 K HA 0.081 4.417 4.320 0.026 0.000 0.193 385 K C 0.245 176.861 176.600 0.027 0.000 1.028 385 K CA 0.278 56.584 56.287 0.032 0.000 1.047 385 K CB 0.265 32.760 32.500 -0.009 0.000 0.821 385 K HN 0.260 nan 8.250 nan 0.000 0.513 386 N N 0.520 119.244 118.700 0.039 0.000 2.628 386 N HA 0.037 4.792 4.740 0.026 0.000 0.299 386 N C 0.352 175.881 175.510 0.032 0.000 1.834 386 N CA 0.069 53.136 53.050 0.029 0.000 0.871 386 N CB 1.536 40.039 38.487 0.026 0.000 1.377 386 N HN -0.165 nan 8.380 nan 0.000 0.493 387 V N -0.247 119.688 119.914 0.035 0.000 2.594 387 V HA -0.099 4.036 4.120 0.026 0.000 0.253 387 V C 2.090 178.199 176.094 0.025 0.000 1.069 387 V CA 2.168 64.488 62.300 0.033 0.000 1.082 387 V CB -0.219 31.626 31.823 0.036 0.000 0.680 387 V HN 0.489 nan 8.190 nan 0.000 0.469 388 G N -1.200 107.613 108.800 0.021 0.000 3.189 388 G HA2 0.069 4.044 3.960 0.026 0.000 0.225 388 G HA3 0.069 4.044 3.960 0.026 0.000 0.225 388 G C 0.575 175.484 174.900 0.016 0.000 1.159 388 G CA 0.587 45.698 45.100 0.017 0.000 0.763 388 G HN 0.424 nan 8.290 nan 0.000 0.549 389 S N 0.397 116.107 115.700 0.017 0.000 2.461 389 S HA 0.315 4.801 4.470 0.026 0.000 0.322 389 S C 1.049 175.658 174.600 0.016 0.000 1.063 389 S CA -0.561 57.648 58.200 0.015 0.000 1.120 389 S CB 0.899 64.108 63.200 0.015 0.000 0.968 389 S HN 0.156 nan 8.310 nan 0.000 0.467 390 E N 3.571 123.779 120.200 0.014 0.000 2.204 390 E HA -0.136 4.229 4.350 0.026 0.000 0.195 390 E C 1.670 178.278 176.600 0.014 0.000 0.990 390 E CA 1.135 57.543 56.400 0.014 0.000 0.821 390 E CB 0.002 29.709 29.700 0.012 0.000 0.750 390 E HN 0.788 nan 8.360 nan 0.000 0.477 391 Q N 0.084 119.892 119.800 0.013 0.000 2.084 391 Q HA -0.090 4.265 4.340 0.026 0.000 0.202 391 Q C 2.168 178.176 176.000 0.014 0.000 0.978 391 Q CA 1.451 57.261 55.803 0.012 0.000 0.844 391 Q CB -0.142 28.602 28.738 0.010 0.000 0.898 391 Q HN 0.234 nan 8.270 nan 0.000 0.426 392 A N 0.856 123.686 122.820 0.016 0.000 1.902 392 A HA -0.150 4.185 4.320 0.026 0.000 0.217 392 A C 2.056 179.653 177.584 0.022 0.000 1.181 392 A CA 1.064 53.112 52.037 0.020 0.000 0.623 392 A CB -0.656 18.358 19.000 0.022 0.000 0.818 392 A HN 0.284 nan 8.150 nan 0.000 0.443 393 L N -0.896 120.340 121.223 0.022 0.000 2.083 393 L HA -0.176 4.179 4.340 0.026 0.000 0.209 393 L C 2.622 179.504 176.870 0.021 0.000 1.083 393 L CA 1.666 56.520 54.840 0.023 0.000 0.752 393 L CB -0.513 41.560 42.059 0.022 0.000 0.899 393 L HN 0.448 nan 8.230 nan 0.000 0.433 394 E N 0.801 121.012 120.200 0.018 0.000 2.072 394 E HA -0.262 4.103 4.350 0.026 0.000 0.191 394 E C 2.021 178.631 176.600 0.016 0.000 0.985 394 E CA 1.452 57.862 56.400 0.016 0.000 0.801 394 E CB -0.025 29.684 29.700 0.014 0.000 0.750 394 E HN 0.422 nan 8.360 nan 0.000 0.452 395 E N -0.316 119.894 120.200 0.016 0.000 2.058 395 E HA -0.238 4.127 4.350 0.026 0.000 0.194 395 E C 1.953 178.564 176.600 0.019 0.000 0.997 395 E CA 1.193 57.603 56.400 0.016 0.000 0.801 395 E CB -0.281 29.429 29.700 0.016 0.000 0.746 395 E HN 0.318 nan 8.360 nan 0.000 0.450 396 A N 1.503 124.336 122.820 0.023 0.000 1.883 396 A HA -0.245 4.090 4.320 0.026 0.000 0.217 396 A C 2.241 179.840 177.584 0.025 0.000 1.186 396 A CA 1.814 53.867 52.037 0.027 0.000 0.624 396 A CB -0.696 18.323 19.000 0.031 0.000 0.822 396 A HN 0.256 nan 8.150 nan 0.000 0.444 397 R N -0.668 119.846 120.500 0.023 0.000 2.103 397 R HA -0.210 4.145 4.340 0.026 0.000 0.242 397 R C 2.476 178.789 176.300 0.021 0.000 1.142 397 R CA 2.065 58.178 56.100 0.022 0.000 0.960 397 R CB -0.279 30.032 30.300 0.020 0.000 0.858 397 R HN 0.739 nan 8.270 nan 0.000 0.439 398 Q N -0.672 119.139 119.800 0.018 0.000 2.119 398 Q HA -0.133 4.223 4.340 0.026 0.000 0.201 398 Q C 2.166 178.174 176.000 0.014 0.000 0.972 398 Q CA 1.380 57.193 55.803 0.015 0.000 0.847 398 Q CB 0.031 28.776 28.738 0.013 0.000 0.903 398 Q HN 0.308 nan 8.270 nan 0.000 0.433 399 R N -0.192 120.317 120.500 0.015 0.000 2.115 399 R HA -0.088 4.268 4.340 0.026 0.000 0.230 399 R C 2.272 178.582 176.300 0.017 0.000 1.111 399 R CA 1.015 57.122 56.100 0.012 0.000 0.976 399 R CB -0.210 30.098 30.300 0.014 0.000 0.870 399 R HN 0.079 nan 8.270 nan 0.000 0.445 400 V N 0.954 120.885 119.914 0.028 0.000 2.307 400 V HA -0.234 3.901 4.120 0.026 0.000 0.245 400 V C 2.438 178.553 176.094 0.036 0.000 1.045 400 V CA 1.983 64.308 62.300 0.042 0.000 1.024 400 V CB -0.724 31.124 31.823 0.042 0.000 0.651 400 V HN 0.404 nan 8.190 nan 0.000 0.449 401 A N 0.101 122.936 122.820 0.025 0.000 1.917 401 A HA -0.203 4.132 4.320 0.026 0.000 0.219 401 A C 2.418 180.013 177.584 0.018 0.000 1.182 401 A CA 2.312 54.362 52.037 0.022 0.000 0.633 401 A CB -0.844 18.169 19.000 0.023 0.000 0.819 401 A HN 0.605 nan 8.150 nan 0.000 0.448 402 A N -0.548 122.278 122.820 0.010 0.000 1.933 402 A HA -0.044 4.291 4.320 0.026 0.000 0.218 402 A C 2.170 179.742 177.584 -0.021 0.000 1.175 402 A CA 1.523 53.558 52.037 -0.003 0.000 0.628 402 A CB -0.521 18.472 19.000 -0.011 0.000 0.814 402 A HN 0.489 nan 8.150 nan 0.000 0.444 403 L N -0.429 120.781 121.223 -0.021 0.000 2.109 403 L HA -0.115 4.240 4.340 0.026 0.000 0.207 403 L C 2.803 179.699 176.870 0.044 0.000 1.086 403 L CA 1.757 56.560 54.840 -0.062 0.000 0.760 403 L CB -0.432 41.610 42.059 -0.028 0.000 0.910 403 L HN 0.647 nan 8.230 nan 0.000 0.437 404 T N -5.125 109.469 114.554 0.068 0.000 3.065 404 T HA 0.117 4.482 4.350 0.026 0.000 0.252 404 T C -0.220 174.448 174.700 -0.053 0.000 1.099 404 T CA -0.264 61.828 62.100 -0.012 0.000 1.063 404 T CB 0.170 68.953 68.868 -0.141 0.000 0.948 404 T HN 0.203 nan 8.240 nan 0.000 0.506 405 D N -0.796 119.622 120.400 0.030 0.000 10.625 405 D HA 0.315 4.970 4.640 0.026 0.000 0.295 405 D C -0.164 176.189 176.300 0.088 0.000 3.067 405 D CA 1.009 55.057 54.000 0.081 0.000 2.855 405 D CB -0.872 40.017 40.800 0.149 0.000 1.161 405 D HN 0.762 nan 8.370 nan 0.000 0.906 406 G N 0.000 108.837 108.800 0.062 0.000 5.446 406 G HA2 0.000 3.975 3.960 0.026 0.000 0.244 406 G HA3 0.000 3.975 3.960 0.026 0.000 0.244 406 G CA 0.000 nan 45.100 nan 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925