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 1sl1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIVSDIEANA LLESVTKFHC GVIYDYSTAE YVSYRPSDFG AYLDALEAEV DATA SEQUENCE ARGGLIVFHN GHKYDVPALT KLAKLQLNRE FHLPRENCID TLVLSRLIHS DATA SEQUENCE NLKDTDMGLL RSGKLPGXXX XXXALEAWGY RLGEMKGEYK DDFKRMLEEQ DATA SEQUENCE GEEYVDGMEW WNFNEEMMDY NVQDVVVTKA LLEKLLSDKH YFPPEIDFTD DATA SEQUENCE VGYTTFWSES LEAVDIEHRA AWLLAKQERN GFPFDTKAIE ELYVELAARR DATA SEQUENCE SELLRKLTET FGSWYQPKGG TEMFCHPRTG KPLPKYPRIK TPKVGGIFKK DATA SEQUENCE PXXXXXXXXX EPCELDTREY VAGAPYTPVE HVVFNPSSRD HIQKKLQEAG DATA SEQUENCE WVPTKYTDKG APVVDDEVLE GVRVDDPEKQ AAIDLIKEYL MIQKRIGQSA DATA SEQUENCE EGDKAWLRYV AEDGKIHGSV NPNGAVTGRA THAFPNLAQI PGVRSPYGEQ DATA SEQUENCE CRAAFGAEHH LDGITGKPWV QAGIDASGLE LRCLAHFMAR FDNGEYAHEI DATA SEQUENCE LNGDIHTKNQ IAAELPTRDN AKTFIYGFLY GAGDEKIGQI VGAGKERGKE DATA SEQUENCE LKKKFLENTP AIAALRESIQ QTLVEXXXXX XXXXXXKWKR RWIKGLDGRK DATA SEQUENCE VHVRSPHAAL NTLLQSAGAL ICKLWIIKTE EMLVEKGLKH GWDGDFAYMA DATA SEQUENCE WVHDEIQVGC RTEEIAQVVI ETAQEAMRWV GDHWNFRCLL DTEGKMGPNW DATA SEQUENCE AICH 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 0.000 176.384 176.300 0.139 0.000 1.140 1 M CA 0.000 55.330 55.300 0.049 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 I N 1.852 122.449 120.570 0.046 0.000 2.740 2 I HA 0.897 5.066 4.170 -0.002 0.000 0.303 2 I C -1.456 174.658 176.117 -0.005 0.000 1.044 2 I CA -1.017 60.285 61.300 0.003 0.000 1.064 2 I CB 2.308 40.265 38.000 -0.072 0.000 1.249 2 I HN 0.433 nan 8.210 nan 0.000 0.433 3 V N 3.321 123.239 119.914 0.007 0.000 2.555 3 V HA 0.674 4.792 4.120 -0.002 0.000 0.302 3 V C -0.036 176.033 176.094 -0.040 0.000 1.038 3 V CA -0.202 62.091 62.300 -0.012 0.000 0.887 3 V CB 1.441 33.292 31.823 0.046 0.000 0.991 3 V HN 0.914 nan 8.190 nan 0.000 0.434 4 S N 2.221 117.834 115.700 -0.146 0.000 2.671 4 S HA 0.779 5.248 4.470 -0.002 0.000 0.277 4 S C -2.034 172.702 174.600 0.226 0.000 1.165 4 S CA -0.492 57.703 58.200 -0.010 0.000 0.822 4 S CB 2.115 65.241 63.200 -0.123 0.000 1.150 4 S HN 1.002 nan 8.310 nan 0.000 0.479 5 D N -0.016 120.644 120.400 0.433 0.000 2.685 5 D HA 0.505 5.143 4.640 -0.002 0.000 0.236 5 D C -1.307 175.197 176.300 0.340 0.000 1.233 5 D CA -0.476 53.815 54.000 0.485 0.000 0.760 5 D CB 1.099 42.093 40.800 0.324 0.000 1.410 5 D HN 0.694 nan 8.370 nan 0.000 0.439 6 I N -1.262 119.460 120.570 0.254 0.000 2.934 6 I HA 0.779 4.947 4.170 -0.002 0.000 0.306 6 I C -1.196 174.920 176.117 -0.002 0.000 1.110 6 I CA -0.707 60.614 61.300 0.035 0.000 1.019 6 I CB 2.377 40.400 38.000 0.039 0.000 1.227 6 I HN 0.103 nan 8.210 nan 0.000 0.434 7 E N 3.258 123.364 120.200 -0.156 0.000 2.199 7 E HA 0.770 5.118 4.350 -0.002 0.000 0.265 7 E C -0.924 175.594 176.600 -0.135 0.000 0.882 7 E CA -0.670 55.707 56.400 -0.039 0.000 0.759 7 E CB 2.168 31.919 29.700 0.085 0.000 1.148 7 E HN 0.881 nan 8.360 nan 0.000 0.412 8 A N 2.360 125.140 122.820 -0.066 0.000 2.483 8 A HA 0.429 4.748 4.320 -0.002 0.000 0.286 8 A C 0.466 177.986 177.584 -0.107 0.000 1.207 8 A CA -0.665 51.241 52.037 -0.219 0.000 0.764 8 A CB 0.802 19.708 19.000 -0.158 0.000 1.341 8 A HN 0.571 nan 8.150 nan 0.000 0.428 9 N N -0.132 118.412 118.700 -0.260 0.000 2.461 9 N HA 0.391 5.130 4.740 -0.002 0.000 0.188 9 N C 0.024 175.569 175.510 0.058 0.000 1.134 9 N CA 1.005 54.089 53.050 0.057 0.000 0.878 9 N CB 0.214 38.717 38.487 0.027 0.000 0.972 9 N HN 1.303 nan 8.380 nan 0.000 0.456 10 A N -0.549 122.227 122.820 -0.075 0.000 2.456 10 A HA 0.454 4.773 4.320 -0.002 0.000 0.294 10 A C -1.264 176.263 177.584 -0.094 0.000 1.057 10 A CA -0.878 51.099 52.037 -0.100 0.000 0.623 10 A CB -0.066 18.921 19.000 -0.021 0.000 1.338 10 A HN 0.084 nan 8.150 nan 0.000 0.464 11 L N 0.990 122.152 121.223 -0.101 0.000 2.464 11 L HA 0.158 4.497 4.340 -0.002 0.000 0.264 11 L C 1.915 178.847 176.870 0.103 0.000 1.199 11 L CA -0.410 54.403 54.840 -0.045 0.000 0.818 11 L CB 0.290 42.291 42.059 -0.097 0.000 1.102 11 L HN 0.912 nan 8.230 nan 0.000 0.473 12 L N 2.582 123.945 121.223 0.233 0.000 2.030 12 L HA -0.322 4.016 4.340 -0.002 0.000 0.222 12 L C 2.758 179.609 176.870 -0.031 0.000 1.082 12 L CA 2.756 57.633 54.840 0.062 0.000 0.785 12 L CB -0.959 41.115 42.059 0.026 0.000 0.895 12 L HN 0.859 nan 8.230 nan 0.000 0.439 13 E N -1.169 119.006 120.200 -0.042 0.000 2.130 13 E HA -0.235 4.114 4.350 -0.002 0.000 0.196 13 E C 1.959 178.522 176.600 -0.062 0.000 0.998 13 E CA 1.895 58.249 56.400 -0.077 0.000 0.806 13 E CB -1.052 28.597 29.700 -0.085 0.000 0.738 13 E HN 0.831 nan 8.360 nan 0.000 0.459 14 S N -1.544 114.130 115.700 -0.044 0.000 2.819 14 S HA 0.408 4.877 4.470 -0.002 0.000 0.249 14 S C 0.499 175.075 174.600 -0.040 0.000 1.030 14 S CA 0.337 58.513 58.200 -0.040 0.000 1.052 14 S CB -0.086 63.095 63.200 -0.031 0.000 1.017 14 S HN 0.513 nan 8.310 nan 0.000 0.576 15 V N 3.592 123.480 119.914 -0.043 0.000 2.673 15 V HA 0.350 4.468 4.120 -0.002 0.000 0.303 15 V C 1.177 177.226 176.094 -0.074 0.000 1.046 15 V CA 1.577 63.842 62.300 -0.058 0.000 1.126 15 V CB 1.214 32.998 31.823 -0.065 0.000 0.934 15 V HN 0.752 nan 8.190 nan 0.000 0.487 16 T N 2.224 116.727 114.554 -0.086 0.000 3.080 16 T HA 0.320 4.669 4.350 -0.002 0.000 0.280 16 T C 0.167 174.803 174.700 -0.108 0.000 0.926 16 T CA -0.175 61.877 62.100 -0.079 0.000 0.883 16 T CB -0.019 68.815 68.868 -0.056 0.000 1.194 16 T HN 0.573 nan 8.240 nan 0.000 0.541 17 K N 0.685 120.981 120.400 -0.174 0.000 2.535 17 K HA 0.538 4.857 4.320 -0.002 0.000 0.250 17 K C -1.912 174.450 176.600 -0.396 0.000 0.948 17 K CA -1.021 55.120 56.287 -0.245 0.000 0.796 17 K CB 1.927 34.300 32.500 -0.211 0.000 1.216 17 K HN 0.150 nan 8.250 nan 0.000 0.432 18 F N 5.234 124.834 119.950 -0.584 0.000 2.444 18 F HA 0.228 4.753 4.527 -0.002 0.000 0.360 18 F C 0.729 176.277 175.800 -0.421 0.000 1.106 18 F CA 0.119 57.720 58.000 -0.665 0.000 1.170 18 F CB 0.561 38.783 39.000 -1.297 0.000 1.113 18 F HN 0.715 nan 8.300 nan 0.000 0.521 19 H N 5.054 123.747 119.070 -0.629 0.000 2.344 19 H HA 0.159 4.713 4.556 -0.002 0.000 0.307 19 H C 0.585 175.487 175.328 -0.710 0.000 1.057 19 H CA 1.255 57.073 56.048 -0.383 0.000 1.373 19 H CB 0.031 29.776 29.762 -0.027 0.000 1.421 19 H HN 0.663 nan 8.280 nan 0.000 0.532 20 C N -2.029 116.708 119.300 -0.938 0.000 3.259 20 C HA 0.828 5.287 4.460 -0.002 0.000 0.344 20 C C 0.191 174.730 174.990 -0.752 0.000 1.401 20 C CA -0.405 58.168 59.018 -0.741 0.000 1.219 20 C CB 1.527 29.189 27.740 -0.130 0.000 1.521 20 C HN 0.568 nan 8.230 nan 0.000 0.455 21 G N -0.391 108.289 108.800 -0.199 0.000 2.704 21 G HA2 0.745 4.704 3.960 -0.002 0.000 0.293 21 G HA3 0.745 4.704 3.960 -0.002 0.000 0.293 21 G C -2.018 173.012 174.900 0.216 0.000 1.421 21 G CA -0.548 44.456 45.100 -0.160 0.000 0.870 21 G HN 1.416 nan 8.290 nan 0.000 0.492 22 V N 0.882 120.975 119.914 0.299 0.000 2.789 22 V HA 0.615 4.734 4.120 -0.002 0.000 0.311 22 V C -0.585 175.771 176.094 0.437 0.000 1.073 22 V CA -0.609 61.939 62.300 0.413 0.000 0.921 22 V CB 1.905 33.920 31.823 0.320 0.000 1.009 22 V HN 0.673 nan 8.190 nan 0.000 0.426 23 I N 3.851 124.687 120.570 0.444 0.000 2.498 23 I HA 0.428 4.597 4.170 -0.002 0.000 0.290 23 I C -1.601 174.596 176.117 0.133 0.000 1.032 23 I CA -0.758 60.709 61.300 0.279 0.000 1.073 23 I CB 2.124 40.286 38.000 0.269 0.000 1.251 23 I HN 0.682 nan 8.210 nan 0.000 0.426 24 Y N 5.934 126.136 120.300 -0.164 0.000 2.328 24 Y HA 0.417 4.965 4.550 -0.002 0.000 0.337 24 Y C -0.798 174.890 175.900 -0.353 0.000 0.966 24 Y CA -0.559 57.252 58.100 -0.480 0.000 1.136 24 Y CB 1.140 39.102 38.460 -0.831 0.000 1.170 24 Y HN 0.446 nan 8.280 nan 0.000 0.470 25 D N 4.781 124.640 120.400 -0.902 0.000 2.303 25 D HA 0.085 4.724 4.640 -0.002 0.000 0.236 25 D C 0.109 175.886 176.300 -0.871 0.000 1.068 25 D CA -0.113 53.518 54.000 -0.615 0.000 0.830 25 D CB 0.874 41.474 40.800 -0.335 0.000 1.109 25 D HN 0.730 nan 8.370 nan 0.000 0.496 26 Y N 1.500 121.539 120.300 -0.434 0.000 2.333 26 Y HA -0.202 4.347 4.550 -0.002 0.000 0.290 26 Y C 2.590 178.371 175.900 -0.198 0.000 1.144 26 Y CA 1.451 59.402 58.100 -0.249 0.000 1.228 26 Y CB 0.005 38.437 38.460 -0.047 0.000 0.985 26 Y HN 0.434 nan 8.280 nan 0.000 0.542 27 S N -1.815 113.853 115.700 -0.053 0.000 2.481 27 S HA -0.102 4.367 4.470 -0.002 0.000 0.231 27 S C 1.604 176.151 174.600 -0.087 0.000 0.996 27 S CA 1.246 59.417 58.200 -0.047 0.000 0.942 27 S CB -0.653 62.521 63.200 -0.043 0.000 0.768 27 S HN 0.506 nan 8.310 nan 0.000 0.520 28 T N -3.772 110.677 114.554 -0.175 0.000 3.016 28 T HA 0.647 4.996 4.350 -0.002 0.000 0.271 28 T C 0.950 175.535 174.700 -0.192 0.000 0.968 28 T CA 0.504 62.512 62.100 -0.153 0.000 0.891 28 T CB -0.021 68.760 68.868 -0.145 0.000 1.149 28 T HN 1.270 nan 8.240 nan 0.000 0.524 29 A N 0.911 123.521 122.820 -0.350 0.000 2.799 29 A HA -0.162 4.156 4.320 -0.002 0.000 0.287 29 A C 0.034 177.498 177.584 -0.200 0.000 1.484 29 A CA 1.281 53.138 52.037 -0.300 0.000 0.813 29 A CB -2.351 16.650 19.000 0.002 0.000 1.009 29 A HN 0.769 nan 8.150 nan 0.000 0.545 30 E N -1.593 118.365 120.200 -0.403 0.000 2.288 30 E HA 0.590 4.939 4.350 -0.002 0.000 0.268 30 E C -1.186 175.329 176.600 -0.141 0.000 0.885 30 E CA -0.822 55.508 56.400 -0.117 0.000 0.767 30 E CB 1.217 30.885 29.700 -0.052 0.000 1.220 30 E HN 0.383 nan 8.360 nan 0.000 0.427 31 Y N 0.557 120.920 120.300 0.106 0.000 2.320 31 Y HA 0.338 4.887 4.550 -0.002 0.000 0.334 31 Y C -0.014 175.934 175.900 0.079 0.000 1.055 31 Y CA -0.569 57.616 58.100 0.142 0.000 1.143 31 Y CB 1.275 39.822 38.460 0.145 0.000 1.193 31 Y HN 0.161 nan 8.280 nan 0.000 0.477 32 V N 3.068 123.121 119.914 0.233 0.000 2.531 32 V HA 0.397 4.516 4.120 -0.002 0.000 0.301 32 V C -0.465 175.720 176.094 0.151 0.000 1.034 32 V CA -0.879 61.485 62.300 0.107 0.000 0.865 32 V CB 1.856 33.699 31.823 0.032 0.000 0.995 32 V HN 0.789 nan 8.190 nan 0.000 0.424 33 S N 3.730 119.446 115.700 0.027 0.000 2.541 33 S HA 0.746 5.215 4.470 -0.002 0.000 0.283 33 S C -1.238 173.325 174.600 -0.062 0.000 1.196 33 S CA -0.344 57.924 58.200 0.114 0.000 1.062 33 S CB 0.839 64.107 63.200 0.113 0.000 1.009 33 S HN 0.544 nan 8.310 nan 0.000 0.502 34 Y N 1.329 121.722 120.300 0.154 0.000 2.326 34 Y HA 0.450 4.999 4.550 -0.002 0.000 0.329 34 Y C 0.690 176.634 175.900 0.073 0.000 0.973 34 Y CA -0.813 57.385 58.100 0.164 0.000 1.162 34 Y CB 1.021 39.657 38.460 0.293 0.000 1.147 34 Y HN 0.485 nan 8.280 nan 0.000 0.456 35 R N 3.258 123.809 120.500 0.085 0.000 2.517 35 R HA 0.305 4.644 4.340 -0.002 0.000 0.250 35 R C -1.594 174.632 176.300 -0.124 0.000 1.213 35 R CA -1.737 54.211 56.100 -0.254 0.000 1.146 35 R CB -0.023 30.088 30.300 -0.314 0.000 1.279 35 R HN 0.304 nan 8.270 nan 0.000 0.597 36 P HA -0.232 nan 4.420 nan 0.000 0.218 36 P C 0.741 178.107 177.300 0.110 0.000 1.154 36 P CA 1.768 64.839 63.100 -0.049 0.000 0.872 36 P CB 0.091 31.723 31.700 -0.113 0.000 0.790 37 S N -2.524 113.213 115.700 0.061 0.000 2.603 37 S HA 0.015 4.484 4.470 -0.002 0.000 0.220 37 S C 0.992 175.666 174.600 0.124 0.000 0.967 37 S CA 0.396 58.651 58.200 0.092 0.000 0.920 37 S CB -0.644 62.591 63.200 0.059 0.000 0.773 37 S HN 0.120 nan 8.310 nan 0.000 0.529 38 D N 0.300 120.813 120.400 0.189 0.000 2.395 38 D HA 0.199 4.838 4.640 -0.002 0.000 0.213 38 D C 0.922 177.384 176.300 0.270 0.000 1.110 38 D CA -0.223 53.927 54.000 0.251 0.000 0.835 38 D CB -0.118 40.886 40.800 0.340 0.000 0.965 38 D HN 0.295 nan 8.370 nan 0.000 0.505 39 F N 2.913 122.833 119.950 -0.050 0.000 2.063 39 F HA -0.215 4.310 4.527 -0.002 0.000 0.298 39 F C 2.222 177.829 175.800 -0.321 0.000 1.105 39 F CA 1.998 59.715 58.000 -0.471 0.000 1.215 39 F CB -0.847 37.847 39.000 -0.510 0.000 0.972 39 F HN 0.033 nan 8.300 nan 0.000 0.483 40 G N -0.596 108.041 108.800 -0.271 0.000 2.476 40 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.218 40 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.218 40 G C 1.852 176.629 174.900 -0.205 0.000 1.164 40 G CA 1.366 46.261 45.100 -0.342 0.000 0.768 40 G HN 0.692 nan 8.290 nan 0.000 0.560 41 A N -0.246 122.561 122.820 -0.021 0.000 1.930 41 A HA 0.001 4.319 4.320 -0.002 0.000 0.217 41 A C 2.186 179.780 177.584 0.016 0.000 1.175 41 A CA 1.698 53.788 52.037 0.087 0.000 0.627 41 A CB -0.629 18.528 19.000 0.261 0.000 0.815 41 A HN 0.488 nan 8.150 nan 0.000 0.443 42 Y N 0.752 120.895 120.300 -0.262 0.000 2.097 42 Y HA -0.209 4.340 4.550 -0.002 0.000 0.282 42 Y C 1.954 177.593 175.900 -0.434 0.000 1.152 42 Y CA 1.940 59.613 58.100 -0.711 0.000 1.136 42 Y CB -0.445 37.662 38.460 -0.588 0.000 0.975 42 Y HN 0.221 nan 8.280 nan 0.000 0.498 43 L N -0.146 120.765 121.223 -0.520 0.000 2.042 43 L HA -0.266 4.073 4.340 -0.002 0.000 0.210 43 L C 2.175 178.898 176.870 -0.245 0.000 1.076 43 L CA 1.642 56.145 54.840 -0.561 0.000 0.749 43 L CB -0.735 40.876 42.059 -0.746 0.000 0.893 43 L HN 0.207 nan 8.230 nan 0.000 0.432 44 D N 0.247 120.527 120.400 -0.200 0.000 2.123 44 D HA -0.179 4.460 4.640 -0.002 0.000 0.196 44 D C 2.232 178.478 176.300 -0.089 0.000 0.992 44 D CA 1.587 55.530 54.000 -0.095 0.000 0.833 44 D CB -0.081 40.683 40.800 -0.060 0.000 0.954 44 D HN 0.338 nan 8.370 nan 0.000 0.455 45 A N 0.713 123.448 122.820 -0.143 0.000 1.902 45 A HA -0.124 4.195 4.320 -0.002 0.000 0.217 45 A C 2.419 179.914 177.584 -0.149 0.000 1.181 45 A CA 0.907 52.871 52.037 -0.122 0.000 0.623 45 A CB -0.732 18.193 19.000 -0.124 0.000 0.818 45 A HN 0.200 nan 8.150 nan 0.000 0.443 46 L N -0.746 120.339 121.223 -0.230 0.000 2.017 46 L HA -0.211 4.127 4.340 -0.002 0.000 0.208 46 L C 2.586 179.439 176.870 -0.027 0.000 1.073 46 L CA 1.819 56.590 54.840 -0.115 0.000 0.745 46 L CB -0.819 41.231 42.059 -0.014 0.000 0.894 46 L HN 0.482 nan 8.230 nan 0.000 0.432 47 E N 0.137 120.346 120.200 0.015 0.000 2.204 47 E HA -0.194 4.155 4.350 -0.002 0.000 0.195 47 E C 2.228 178.808 176.600 -0.033 0.000 0.990 47 E CA 1.011 57.402 56.400 -0.016 0.000 0.821 47 E CB -0.086 29.620 29.700 0.010 0.000 0.750 47 E HN 0.498 nan 8.360 nan 0.000 0.477 48 A N 1.320 124.120 122.820 -0.033 0.000 1.930 48 A HA -0.202 4.117 4.320 -0.002 0.000 0.217 48 A C 2.049 179.616 177.584 -0.028 0.000 1.175 48 A CA 1.473 53.493 52.037 -0.028 0.000 0.627 48 A CB -0.256 18.729 19.000 -0.026 0.000 0.815 48 A HN 0.114 nan 8.150 nan 0.000 0.443 49 E N 0.111 120.289 120.200 -0.037 0.000 2.110 49 E HA -0.113 4.236 4.350 -0.002 0.000 0.193 49 E C 1.752 178.340 176.600 -0.020 0.000 0.988 49 E CA 1.543 57.924 56.400 -0.032 0.000 0.804 49 E CB -0.392 29.281 29.700 -0.046 0.000 0.745 49 E HN 0.252 nan 8.360 nan 0.000 0.458 50 V N 0.777 120.671 119.914 -0.033 0.000 2.358 50 V HA -0.228 3.891 4.120 -0.002 0.000 0.246 50 V C 2.388 178.475 176.094 -0.012 0.000 1.047 50 V CA 1.718 63.994 62.300 -0.039 0.000 1.035 50 V CB -0.986 30.788 31.823 -0.083 0.000 0.658 50 V HN 0.451 nan 8.190 nan 0.000 0.452 51 A N -0.018 122.792 122.820 -0.016 0.000 1.978 51 A HA -0.229 4.090 4.320 -0.002 0.000 0.220 51 A C 2.272 179.863 177.584 0.012 0.000 1.170 51 A CA 1.659 53.693 52.037 -0.005 0.000 0.636 51 A CB -0.497 18.495 19.000 -0.012 0.000 0.810 51 A HN 0.531 nan 8.150 nan 0.000 0.448 52 R N -1.195 119.312 120.500 0.012 0.000 2.313 52 R HA 0.164 4.503 4.340 -0.002 0.000 0.199 52 R C 1.121 177.448 176.300 0.044 0.000 0.958 52 R CA 0.458 56.568 56.100 0.016 0.000 1.047 52 R CB -0.265 30.036 30.300 0.001 0.000 0.955 52 R HN 0.679 nan 8.270 nan 0.000 0.481 53 G N 0.697 109.554 108.800 0.095 0.000 2.221 53 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.265 53 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.265 53 G C 0.352 175.388 174.900 0.227 0.000 1.041 53 G CA 0.101 45.337 45.100 0.227 0.000 0.807 53 G HN 0.539 nan 8.290 nan 0.000 0.502 54 G N -1.356 107.514 108.800 0.117 0.000 2.543 54 G HA2 0.755 4.714 3.960 -0.002 0.000 0.267 54 G HA3 0.755 4.714 3.960 -0.002 0.000 0.267 54 G C -0.173 174.749 174.900 0.036 0.000 1.406 54 G CA -0.948 44.186 45.100 0.057 0.000 1.048 54 G HN 0.738 nan 8.290 nan 0.000 0.548 55 L N -0.546 120.652 121.223 -0.042 0.000 2.388 55 L HA 0.541 4.880 4.340 -0.002 0.000 0.264 55 L C -0.812 176.001 176.870 -0.095 0.000 0.998 55 L CA -0.587 54.188 54.840 -0.109 0.000 0.817 55 L CB 2.537 44.439 42.059 -0.262 0.000 1.338 55 L HN 0.289 nan 8.230 nan 0.000 0.414 56 I N 2.570 123.091 120.570 -0.082 0.000 2.418 56 I HA 0.415 4.584 4.170 -0.002 0.000 0.287 56 I C -0.759 175.287 176.117 -0.118 0.000 1.008 56 I CA -0.865 60.364 61.300 -0.119 0.000 1.104 56 I CB 2.092 40.046 38.000 -0.076 0.000 1.264 56 I HN 0.147 nan 8.210 nan 0.000 0.438 57 V N 6.799 126.601 119.914 -0.186 0.000 2.370 57 V HA 0.469 4.587 4.120 -0.002 0.000 0.283 57 V C -0.465 175.546 176.094 -0.138 0.000 1.023 57 V CA -0.325 61.936 62.300 -0.065 0.000 0.857 57 V CB 1.122 32.954 31.823 0.015 0.000 0.985 57 V HN 0.404 nan 8.190 nan 0.000 0.443 58 F N 1.927 122.013 119.950 0.227 0.000 2.611 58 F HA 0.542 5.067 4.527 -0.002 0.000 0.324 58 F C -0.045 175.914 175.800 0.264 0.000 1.061 58 F CA -0.958 57.191 58.000 0.249 0.000 0.954 58 F CB 1.675 40.833 39.000 0.264 0.000 1.301 58 F HN 0.506 nan 8.300 nan 0.000 0.482 59 H N 1.324 120.629 119.070 0.392 0.000 2.623 59 H HA 0.293 4.847 4.556 -0.002 0.000 0.299 59 H C 0.059 175.525 175.328 0.230 0.000 1.052 59 H CA -0.537 55.663 56.048 0.253 0.000 1.231 59 H CB 0.330 30.207 29.762 0.192 0.000 1.389 59 H HN 0.565 nan 8.280 nan 0.000 0.469 60 N N 2.345 120.995 118.700 -0.083 0.000 2.818 60 N HA -0.153 4.586 4.740 -0.002 0.000 0.250 60 N C 1.230 176.801 175.510 0.102 0.000 1.108 60 N CA 1.057 54.083 53.050 -0.039 0.000 0.745 60 N CB -1.162 37.275 38.487 -0.083 0.000 1.104 60 N HN 0.846 nan 8.380 nan 0.000 0.557 61 G N -1.289 107.627 108.800 0.194 0.000 2.448 61 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.218 61 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.218 61 G C 1.132 176.084 174.900 0.087 0.000 1.135 61 G CA 1.033 46.150 45.100 0.029 0.000 0.784 61 G HN 0.574 nan 8.290 nan 0.000 0.543 62 H N 0.438 119.538 119.070 0.051 0.000 2.387 62 H HA 0.075 4.630 4.556 -0.002 0.000 0.299 62 H C 2.448 177.677 175.328 -0.166 0.000 1.090 62 H CA 1.330 57.369 56.048 -0.014 0.000 1.332 62 H CB 0.145 29.975 29.762 0.114 0.000 1.386 62 H HN 0.328 nan 8.280 nan 0.000 0.516 63 K N -1.692 118.732 120.400 0.040 0.000 2.284 63 K HA -0.007 4.312 4.320 -0.002 0.000 0.198 63 K C 1.107 177.704 176.600 -0.005 0.000 1.048 63 K CA 0.473 56.751 56.287 -0.016 0.000 0.987 63 K CB 0.453 32.971 32.500 0.029 0.000 0.800 63 K HN 0.198 nan 8.250 nan 0.000 0.486 64 Y N 1.244 121.467 120.300 -0.128 0.000 2.972 64 Y HA 0.018 4.566 4.550 -0.002 0.000 0.211 64 Y C 1.030 176.813 175.900 -0.194 0.000 0.969 64 Y CA 0.739 58.750 58.100 -0.150 0.000 1.574 64 Y CB -0.114 38.269 38.460 -0.129 0.000 1.364 64 Y HN -0.098 nan 8.280 nan 0.000 0.467 65 D N 0.348 120.541 120.400 -0.344 0.000 2.126 65 D HA -0.241 4.397 4.640 -0.002 0.000 0.190 65 D C 2.221 178.215 176.300 -0.509 0.000 1.001 65 D CA 2.532 56.205 54.000 -0.545 0.000 0.841 65 D CB -0.580 39.722 40.800 -0.830 0.000 0.949 65 D HN 0.241 nan 8.370 nan 0.000 0.446 66 V N 1.253 120.891 119.914 -0.460 0.000 2.261 66 V HA -0.149 3.970 4.120 -0.002 0.000 0.246 66 V C -0.687 175.294 176.094 -0.189 0.000 1.047 66 V CA 1.940 64.104 62.300 -0.226 0.000 1.015 66 V CB -1.452 30.276 31.823 -0.158 0.000 0.642 66 V HN 0.269 nan 8.190 nan 0.000 0.446 67 P HA -0.085 nan 4.420 nan 0.000 0.221 67 P C 1.510 178.671 177.300 -0.233 0.000 1.150 67 P CA 1.905 64.854 63.100 -0.252 0.000 0.800 67 P CB 0.023 31.551 31.700 -0.288 0.000 0.787 68 A N 0.243 122.848 122.820 -0.360 0.000 1.930 68 A HA -0.083 4.236 4.320 -0.002 0.000 0.217 68 A C 2.398 179.861 177.584 -0.202 0.000 1.175 68 A CA 1.028 52.833 52.037 -0.386 0.000 0.627 68 A CB -1.522 17.003 19.000 -0.793 0.000 0.815 68 A HN 0.112 nan 8.150 nan 0.000 0.443 69 L N -0.790 120.358 121.223 -0.125 0.000 2.093 69 L HA -0.146 4.193 4.340 -0.002 0.000 0.208 69 L C 2.753 179.640 176.870 0.030 0.000 1.085 69 L CA 1.689 56.527 54.840 -0.004 0.000 0.755 69 L CB -0.744 41.344 42.059 0.049 0.000 0.904 69 L HN 0.337 nan 8.230 nan 0.000 0.435 70 T N -0.671 113.927 114.554 0.073 0.000 2.746 70 T HA -0.232 4.117 4.350 -0.002 0.000 0.267 70 T C 1.918 176.597 174.700 -0.035 0.000 1.039 70 T CA 1.426 63.535 62.100 0.015 0.000 1.142 70 T CB -0.051 68.776 68.868 -0.069 0.000 0.866 70 T HN 0.237 nan 8.240 nan 0.000 0.444 71 K N 0.691 121.061 120.400 -0.049 0.000 2.026 71 K HA 0.009 4.328 4.320 -0.002 0.000 0.208 71 K C 2.222 178.812 176.600 -0.017 0.000 1.048 71 K CA 1.095 57.354 56.287 -0.047 0.000 0.929 71 K CB -0.259 32.191 32.500 -0.082 0.000 0.713 71 K HN 0.268 nan 8.250 nan 0.000 0.439 72 L N 0.397 121.619 121.223 -0.001 0.000 2.093 72 L HA -0.106 4.233 4.340 -0.002 0.000 0.208 72 L C 2.611 179.625 176.870 0.240 0.000 1.085 72 L CA 1.015 55.892 54.840 0.062 0.000 0.755 72 L CB -0.500 41.528 42.059 -0.051 0.000 0.904 72 L HN 0.290 nan 8.230 nan 0.000 0.435 73 A N 0.330 123.251 122.820 0.168 0.000 1.902 73 A HA -0.249 4.070 4.320 -0.002 0.000 0.217 73 A C 2.312 179.883 177.584 -0.023 0.000 1.181 73 A CA 2.023 54.029 52.037 -0.052 0.000 0.623 73 A CB -0.352 18.509 19.000 -0.232 0.000 0.818 73 A HN 0.239 nan 8.150 nan 0.000 0.443 74 K N 0.201 120.599 120.400 -0.004 0.000 2.001 74 K HA 0.040 4.359 4.320 -0.002 0.000 0.208 74 K C 1.771 178.379 176.600 0.013 0.000 1.048 74 K CA 1.491 57.777 56.287 -0.002 0.000 0.932 74 K CB -0.693 31.808 32.500 0.001 0.000 0.715 74 K HN 0.427 nan 8.250 nan 0.000 0.437 75 L N 0.347 121.584 121.223 0.023 0.000 2.017 75 L HA -0.188 4.150 4.340 -0.002 0.000 0.208 75 L C 2.579 179.471 176.870 0.037 0.000 1.073 75 L CA 1.651 56.503 54.840 0.020 0.000 0.745 75 L CB -0.351 41.711 42.059 0.006 0.000 0.894 75 L HN 0.349 nan 8.230 nan 0.000 0.432 76 Q N -0.811 119.038 119.800 0.081 0.000 2.302 76 Q HA 0.033 4.372 4.340 -0.002 0.000 0.202 76 Q C 1.657 177.704 176.000 0.078 0.000 0.936 76 Q CA 0.776 56.641 55.803 0.104 0.000 0.886 76 Q CB 0.437 29.292 28.738 0.195 0.000 0.986 76 Q HN 0.500 nan 8.270 nan 0.000 0.487 77 L N -0.292 120.953 121.223 0.037 0.000 2.966 77 L HA 0.229 4.568 4.340 -0.002 0.000 0.262 77 L C 0.054 176.901 176.870 -0.038 0.000 1.165 77 L CA -0.341 54.480 54.840 -0.032 0.000 0.978 77 L CB 0.388 42.359 42.059 -0.147 0.000 1.337 77 L HN 0.146 nan 8.230 nan 0.000 0.563 78 N N 2.052 120.741 118.700 -0.017 0.000 2.721 78 N HA -0.245 4.494 4.740 -0.002 0.000 0.249 78 N C 0.023 175.518 175.510 -0.025 0.000 1.072 78 N CA 0.626 53.668 53.050 -0.013 0.000 0.710 78 N CB -0.543 37.939 38.487 -0.008 0.000 0.993 78 N HN 0.400 nan 8.380 nan 0.000 0.547 79 R N 0.330 120.803 120.500 -0.045 0.000 2.637 79 R HA 0.285 4.623 4.340 -0.002 0.000 0.291 79 R C -0.848 175.437 176.300 -0.026 0.000 0.963 79 R CA -0.592 55.478 56.100 -0.050 0.000 0.901 79 R CB 0.811 31.045 30.300 -0.110 0.000 1.160 79 R HN 0.069 nan 8.270 nan 0.000 0.457 80 E N 3.884 124.089 120.200 0.009 0.000 2.152 80 E HA 0.126 4.475 4.350 -0.002 0.000 0.285 80 E C -1.292 175.300 176.600 -0.014 0.000 1.043 80 E CA -0.052 56.368 56.400 0.033 0.000 0.839 80 E CB 0.813 30.599 29.700 0.143 0.000 1.069 80 E HN 0.352 nan 8.360 nan 0.000 0.399 81 F N 4.138 123.808 119.950 -0.467 0.000 2.536 81 F HA 0.280 4.806 4.527 -0.002 0.000 0.322 81 F C -0.788 174.595 175.800 -0.695 0.000 1.144 81 F CA -0.555 57.203 58.000 -0.404 0.000 0.924 81 F CB 1.009 39.836 39.000 -0.289 0.000 1.181 81 F HN 0.323 nan 8.300 nan 0.000 0.438 82 H N 7.980 126.758 119.070 -0.486 0.000 2.974 82 H HA 0.272 4.826 4.556 -0.002 0.000 0.285 82 H C -0.804 174.271 175.328 -0.421 0.000 1.227 82 H CA -0.573 55.276 56.048 -0.332 0.000 1.569 82 H CB 1.400 31.070 29.762 -0.152 0.000 1.648 82 H HN 0.524 nan 8.280 nan 0.000 0.521 83 L N 4.267 125.262 121.223 -0.379 0.000 2.455 83 L HA 0.161 4.500 4.340 -0.002 0.000 0.272 83 L C -1.888 174.971 176.870 -0.020 0.000 1.174 83 L CA -1.542 53.166 54.840 -0.220 0.000 0.869 83 L CB 0.118 42.155 42.059 -0.036 0.000 1.130 83 L HN 0.205 nan 8.230 nan 0.000 0.474 84 P HA 0.107 nan 4.420 nan 0.000 0.275 84 P C 0.278 177.260 177.300 -0.531 0.000 1.228 84 P CA -0.540 62.401 63.100 -0.266 0.000 0.786 84 P CB 0.675 32.200 31.700 -0.292 0.000 0.927 85 R N 2.241 122.116 120.500 -1.041 0.000 2.103 85 R HA -0.218 4.121 4.340 -0.002 0.000 0.242 85 R C 1.057 176.902 176.300 -0.760 0.000 1.142 85 R CA 1.996 57.063 56.100 -1.723 0.000 0.960 85 R CB -0.306 28.801 30.300 -1.988 0.000 0.858 85 R HN 0.479 nan 8.270 nan 0.000 0.439 86 E N 0.164 120.034 120.200 -0.549 0.000 2.267 86 E HA -0.151 4.198 4.350 -0.002 0.000 0.197 86 E C 1.061 177.624 176.600 -0.062 0.000 0.998 86 E CA 1.531 57.763 56.400 -0.280 0.000 0.830 86 E CB -0.201 29.205 29.700 -0.490 0.000 0.751 86 E HN 0.542 nan 8.360 nan 0.000 0.491 87 N N -0.903 117.657 118.700 -0.234 0.000 2.280 87 N HA 0.101 4.840 4.740 -0.002 0.000 0.192 87 N C -0.957 174.563 175.510 0.016 0.000 1.109 87 N CA 0.005 52.978 53.050 -0.128 0.000 0.855 87 N CB 0.562 38.942 38.487 -0.179 0.000 0.974 87 N HN 0.026 nan 8.380 nan 0.000 0.482 88 C N 0.763 120.141 119.300 0.130 0.000 2.411 88 C HA 0.580 5.039 4.460 -0.002 0.000 0.330 88 C C 0.133 175.380 174.990 0.428 0.000 1.224 88 C CA -1.134 58.074 59.018 0.316 0.000 1.770 88 C CB 0.291 28.322 27.740 0.485 0.000 2.297 88 C HN 0.246 nan 8.230 nan 0.000 0.507 89 I N 2.227 122.985 120.570 0.312 0.000 2.569 89 I HA 0.379 4.548 4.170 -0.002 0.000 0.296 89 I C -0.879 175.499 176.117 0.434 0.000 1.028 89 I CA 0.036 61.472 61.300 0.226 0.000 1.082 89 I CB 1.792 39.706 38.000 -0.143 0.000 1.264 89 I HN 0.577 nan 8.210 nan 0.000 0.429 90 D N 3.446 124.168 120.400 0.538 0.000 2.505 90 D HA 0.160 4.799 4.640 -0.002 0.000 0.250 90 D C 0.927 177.367 176.300 0.233 0.000 1.164 90 D CA -0.295 53.862 54.000 0.261 0.000 0.870 90 D CB 1.810 42.535 40.800 -0.124 0.000 1.160 90 D HN 0.691 nan 8.370 nan 0.000 0.549 91 T N 1.330 116.046 114.554 0.271 0.000 2.881 91 T HA -0.176 4.172 4.350 -0.002 0.000 0.270 91 T C 1.890 176.737 174.700 0.245 0.000 1.068 91 T CA 0.476 62.759 62.100 0.304 0.000 1.131 91 T CB 0.030 69.130 68.868 0.387 0.000 0.871 91 T HN 0.312 nan 8.240 nan 0.000 0.479 92 L N 1.425 122.654 121.223 0.009 0.000 2.027 92 L HA 0.114 4.453 4.340 -0.002 0.000 0.206 92 L C 2.580 179.435 176.870 -0.024 0.000 1.074 92 L CA 1.304 56.072 54.840 -0.120 0.000 0.745 92 L CB -0.795 41.008 42.059 -0.427 0.000 0.898 92 L HN 0.147 nan 8.230 nan 0.000 0.433 93 V N -0.271 119.590 119.914 -0.088 0.000 2.332 93 V HA -0.312 3.807 4.120 -0.002 0.000 0.248 93 V C 2.626 178.676 176.094 -0.073 0.000 1.055 93 V CA 2.025 64.235 62.300 -0.150 0.000 1.038 93 V CB -0.600 30.969 31.823 -0.424 0.000 0.651 93 V HN 0.441 nan 8.190 nan 0.000 0.450 94 L N -0.420 120.820 121.223 0.028 0.000 2.056 94 L HA -0.148 4.191 4.340 -0.002 0.000 0.207 94 L C 2.630 179.544 176.870 0.073 0.000 1.078 94 L CA 1.613 56.524 54.840 0.118 0.000 0.749 94 L CB -0.389 41.829 42.059 0.266 0.000 0.901 94 L HN 0.351 nan 8.230 nan 0.000 0.433 95 S N -0.446 115.338 115.700 0.139 0.000 2.368 95 S HA -0.164 4.305 4.470 -0.002 0.000 0.225 95 S C 1.938 176.620 174.600 0.137 0.000 1.030 95 S CA 1.107 59.433 58.200 0.210 0.000 0.999 95 S CB -0.184 63.176 63.200 0.266 0.000 0.844 95 S HN 0.369 nan 8.310 nan 0.000 0.459 96 R N 0.243 120.792 120.500 0.081 0.000 2.189 96 R HA 0.022 4.360 4.340 -0.002 0.000 0.223 96 R C 2.155 178.466 176.300 0.018 0.000 1.092 96 R CA 0.715 56.850 56.100 0.058 0.000 0.989 96 R CB -0.261 30.064 30.300 0.043 0.000 0.876 96 R HN 0.293 nan 8.270 nan 0.000 0.457 97 L N 0.349 121.554 121.223 -0.030 0.000 2.084 97 L HA 0.035 4.374 4.340 -0.002 0.000 0.202 97 L C 1.826 178.560 176.870 -0.227 0.000 1.074 97 L CA 1.537 56.327 54.840 -0.084 0.000 0.757 97 L CB -0.181 41.822 42.059 -0.094 0.000 0.918 97 L HN 0.021 nan 8.230 nan 0.000 0.444 98 I N -0.453 119.885 120.570 -0.386 0.000 2.315 98 I HA -0.190 3.979 4.170 -0.002 0.000 0.248 98 I C 0.878 176.685 176.117 -0.517 0.000 1.117 98 I CA 0.824 61.750 61.300 -0.623 0.000 1.404 98 I CB -0.342 37.247 38.000 -0.685 0.000 1.071 98 I HN 0.312 nan 8.210 nan 0.000 0.419 99 H N 0.391 119.418 119.070 -0.072 0.000 2.539 99 H HA 0.218 4.773 4.556 -0.002 0.000 0.293 99 H C 1.705 177.021 175.328 -0.020 0.000 1.156 99 H CA 0.205 56.232 56.048 -0.034 0.000 1.012 99 H CB 0.272 30.034 29.762 -0.000 0.000 1.600 99 H HN 0.262 nan 8.280 nan 0.000 0.538 100 S N 0.621 116.339 115.700 0.029 0.000 2.469 100 S HA -0.182 4.286 4.470 -0.002 0.000 0.238 100 S C 1.643 176.273 174.600 0.049 0.000 0.998 100 S CA 0.964 59.191 58.200 0.045 0.000 0.957 100 S CB -0.107 63.116 63.200 0.039 0.000 0.764 100 S HN 0.547 nan 8.310 nan 0.000 0.514 101 N N 1.502 120.218 118.700 0.026 0.000 2.467 101 N HA 0.089 4.828 4.740 -0.002 0.000 0.184 101 N C 0.313 175.815 175.510 -0.013 0.000 1.106 101 N CA 0.126 53.165 53.050 -0.018 0.000 0.892 101 N CB -0.298 38.095 38.487 -0.157 0.000 0.969 101 N HN 0.444 nan 8.380 nan 0.000 0.454 102 L N -0.011 121.229 121.223 0.029 0.000 2.322 102 L HA 0.458 4.797 4.340 -0.002 0.000 0.269 102 L C 0.378 177.276 176.870 0.047 0.000 1.012 102 L CA -1.041 53.815 54.840 0.027 0.000 0.815 102 L CB 1.409 43.485 42.059 0.028 0.000 1.295 102 L HN -0.190 nan 8.230 nan 0.000 0.438 103 K N 0.934 121.360 120.400 0.043 0.000 2.177 103 K HA 0.540 4.859 4.320 -0.002 0.000 0.238 103 K C -1.106 175.538 176.600 0.072 0.000 1.015 103 K CA -0.581 55.740 56.287 0.057 0.000 0.922 103 K CB 1.555 34.086 32.500 0.051 0.000 1.127 103 K HN 0.734 nan 8.250 nan 0.000 0.469 104 D N -3.314 117.137 120.400 0.086 0.000 2.596 104 D HA 0.116 4.755 4.640 -0.002 0.000 0.262 104 D C 0.199 176.564 176.300 0.109 0.000 1.210 104 D CA -0.693 53.372 54.000 0.108 0.000 0.873 104 D CB 0.565 41.434 40.800 0.115 0.000 1.408 104 D HN 0.376 nan 8.370 nan 0.000 0.441 105 T N -3.111 111.512 114.554 0.116 0.000 3.194 105 T HA 0.096 4.445 4.350 -0.002 0.000 0.251 105 T C 0.447 175.206 174.700 0.098 0.000 1.132 105 T CA 0.497 62.659 62.100 0.102 0.000 1.028 105 T CB -0.700 68.213 68.868 0.076 0.000 0.976 105 T HN 0.658 nan 8.240 nan 0.000 0.535 106 D N 1.205 121.665 120.400 0.100 0.000 2.697 106 D HA -0.229 4.410 4.640 -0.002 0.000 0.238 106 D C 0.262 176.600 176.300 0.065 0.000 1.152 106 D CA 0.518 54.577 54.000 0.098 0.000 0.666 106 D CB -1.668 39.223 40.800 0.153 0.000 1.037 106 D HN 0.407 nan 8.370 nan 0.000 0.423 107 M N -1.361 118.272 119.600 0.055 0.000 2.537 107 M HA -0.153 4.326 4.480 -0.002 0.000 0.205 107 M C 1.437 177.727 176.300 -0.016 0.000 0.450 107 M CA 1.637 56.952 55.300 0.024 0.000 0.553 107 M CB -2.238 30.357 32.600 -0.007 0.000 2.046 107 M HN 1.243 nan 8.290 nan 0.000 0.797 108 G N -0.935 107.861 108.800 -0.007 0.000 2.176 108 G HA2 -0.318 3.641 3.960 -0.002 0.000 0.253 108 G HA3 -0.318 3.641 3.960 -0.002 0.000 0.253 108 G C 0.717 175.608 174.900 -0.015 0.000 0.979 108 G CA 0.427 45.512 45.100 -0.025 0.000 0.641 108 G HN 0.540 nan 8.290 nan 0.000 0.530 109 L N -0.498 120.723 121.223 -0.004 0.000 2.217 109 L HA 0.289 4.628 4.340 -0.002 0.000 0.211 109 L C 1.365 178.276 176.870 0.069 0.000 1.107 109 L CA 0.747 55.567 54.840 -0.033 0.000 0.783 109 L CB -0.156 41.852 42.059 -0.086 0.000 0.919 109 L HN 0.237 nan 8.230 nan 0.000 0.442 110 L N -0.356 120.938 121.223 0.118 0.000 2.334 110 L HA 0.385 4.723 4.340 -0.002 0.000 0.276 110 L C 0.079 177.007 176.870 0.097 0.000 1.014 110 L CA -0.715 54.208 54.840 0.139 0.000 0.815 110 L CB 1.616 43.770 42.059 0.158 0.000 1.268 110 L HN -0.044 nan 8.230 nan 0.000 0.428 111 R N 0.990 121.544 120.500 0.090 0.000 2.343 111 R HA 0.044 4.382 4.340 -0.002 0.000 0.326 111 R C 1.307 177.664 176.300 0.094 0.000 1.055 111 R CA 0.048 56.196 56.100 0.081 0.000 0.961 111 R CB 0.710 31.050 30.300 0.067 0.000 0.978 111 R HN 0.845 nan 8.270 nan 0.000 0.443 112 S N 2.301 118.075 115.700 0.124 0.000 2.392 112 S HA -0.210 4.259 4.470 -0.002 0.000 0.232 112 S C 2.072 176.730 174.600 0.097 0.000 1.041 112 S CA 1.250 59.541 58.200 0.152 0.000 1.026 112 S CB -0.413 62.964 63.200 0.295 0.000 0.845 112 S HN 0.808 nan 8.310 nan 0.000 0.465 113 G N 1.724 110.573 108.800 0.081 0.000 2.450 113 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.220 113 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.220 113 G C 1.598 176.523 174.900 0.042 0.000 1.130 113 G CA 1.307 46.437 45.100 0.050 0.000 0.760 113 G HN 0.839 nan 8.290 nan 0.000 0.557 114 K N 0.090 120.520 120.400 0.050 0.000 2.418 114 K HA 0.497 4.815 4.320 -0.002 0.000 0.195 114 K C 1.063 177.688 176.600 0.042 0.000 1.035 114 K CA 0.155 56.468 56.287 0.043 0.000 1.003 114 K CB -0.330 32.199 32.500 0.048 0.000 0.793 114 K HN 0.378 nan 8.250 nan 0.000 0.494 115 L N 2.264 123.516 121.223 0.049 0.000 2.397 115 L HA 0.252 4.591 4.340 -0.002 0.000 0.271 115 L C -1.867 175.021 176.870 0.030 0.000 1.148 115 L CA -2.028 52.839 54.840 0.045 0.000 0.825 115 L CB 0.871 42.965 42.059 0.058 0.000 1.117 115 L HN 0.254 nan 8.230 nan 0.000 0.456 116 P HA 0.334 nan 4.420 nan 0.000 0.279 116 P C 0.078 177.384 177.300 0.010 0.000 1.252 116 P CA 0.107 63.217 63.100 0.018 0.000 0.811 116 P CB 1.346 33.059 31.700 0.022 0.000 1.035 125 L N 0.739 121.920 121.223 -0.070 0.000 2.381 125 L HA 0.520 4.858 4.340 -0.002 0.000 0.268 125 L C 0.100 176.926 176.870 -0.074 0.000 0.997 125 L CA -0.831 53.988 54.840 -0.035 0.000 0.818 125 L CB 1.918 43.992 42.059 0.025 0.000 1.310 125 L HN 0.856 nan 8.230 nan 0.000 0.416 126 E N 1.569 121.727 120.200 -0.070 0.000 2.417 126 E HA 0.062 4.411 4.350 -0.002 0.000 0.261 126 E C 0.624 177.186 176.600 -0.063 0.000 1.000 126 E CA 0.388 56.707 56.400 -0.136 0.000 0.919 126 E CB 1.724 31.299 29.700 -0.208 0.000 0.955 126 E HN 0.736 nan 8.360 nan 0.000 0.455 127 A N 5.600 128.314 122.820 -0.177 0.000 1.869 127 A HA -0.230 4.089 4.320 -0.002 0.000 0.218 127 A C 1.888 179.415 177.584 -0.095 0.000 1.203 127 A CA 1.857 53.752 52.037 -0.236 0.000 0.638 127 A CB -1.049 17.633 19.000 -0.530 0.000 0.831 127 A HN 0.896 nan 8.150 nan 0.000 0.450 128 W N -0.663 120.654 121.300 0.029 0.000 2.358 128 W HA -0.011 4.648 4.660 -0.002 0.000 0.303 128 W C 2.597 179.112 176.519 -0.007 0.000 1.208 128 W CA 0.531 57.883 57.345 0.012 0.000 1.274 128 W CB -0.630 28.827 29.460 -0.005 0.000 1.138 128 W HN 0.439 nan 8.180 nan 0.000 0.515 129 G N -0.345 108.597 108.800 0.237 0.000 2.418 129 G HA2 -0.377 3.581 3.960 -0.002 0.000 0.217 129 G HA3 -0.377 3.581 3.960 -0.002 0.000 0.217 129 G C 1.165 176.161 174.900 0.159 0.000 1.158 129 G CA 1.200 46.400 45.100 0.168 0.000 0.771 129 G HN 0.360 nan 8.290 nan 0.000 0.545 130 Y N 1.761 122.095 120.300 0.057 0.000 2.128 130 Y HA -0.139 4.409 4.550 -0.002 0.000 0.284 130 Y C 3.013 178.949 175.900 0.061 0.000 1.154 130 Y CA 2.009 60.135 58.100 0.044 0.000 1.149 130 Y CB -0.162 38.298 38.460 0.000 0.000 0.976 130 Y HN 0.048 nan 8.280 nan 0.000 0.505 131 R N 0.135 120.700 120.500 0.109 0.000 2.083 131 R HA -0.197 4.141 4.340 -0.002 0.000 0.237 131 R C 2.299 178.592 176.300 -0.012 0.000 1.137 131 R CA 1.961 58.092 56.100 0.052 0.000 0.951 131 R CB -0.925 29.498 30.300 0.206 0.000 0.851 131 R HN 0.422 nan 8.270 nan 0.000 0.434 132 L N -0.317 120.909 121.223 0.005 0.000 2.046 132 L HA -0.101 4.237 4.340 -0.002 0.000 0.208 132 L C 2.560 179.435 176.870 0.009 0.000 1.077 132 L CA 1.494 56.326 54.840 -0.012 0.000 0.747 132 L CB -0.777 41.163 42.059 -0.199 0.000 0.896 132 L HN 0.351 nan 8.230 nan 0.000 0.432 133 G N -1.010 107.778 108.800 -0.021 0.000 2.534 133 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.217 133 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.217 133 G C 1.383 176.205 174.900 -0.131 0.000 1.128 133 G CA 0.249 45.325 45.100 -0.041 0.000 0.784 133 G HN 0.258 nan 8.290 nan 0.000 0.542 134 E N -0.450 119.615 120.200 -0.226 0.000 2.476 134 E HA 0.169 4.517 4.350 -0.002 0.000 0.199 134 E C 2.075 178.633 176.600 -0.069 0.000 1.021 134 E CA -0.226 56.044 56.400 -0.215 0.000 0.907 134 E CB 0.127 29.581 29.700 -0.410 0.000 0.974 134 E HN 0.262 nan 8.360 nan 0.000 0.489 135 M N 1.532 121.123 119.600 -0.015 0.000 2.082 135 M HA -0.213 4.266 4.480 -0.002 0.000 0.258 135 M C 1.841 178.134 176.300 -0.011 0.000 1.071 135 M CA 1.837 57.164 55.300 0.045 0.000 1.103 135 M CB -0.228 32.429 32.600 0.095 0.000 1.307 135 M HN -0.098 nan 8.290 nan 0.000 0.409 136 K N -1.145 119.286 120.400 0.053 0.000 2.020 136 K HA -0.158 4.161 4.320 -0.002 0.000 0.212 136 K C 1.968 178.646 176.600 0.130 0.000 1.050 136 K CA 1.533 57.946 56.287 0.209 0.000 0.929 136 K CB -0.956 31.645 32.500 0.167 0.000 0.714 136 K HN 0.584 nan 8.250 nan 0.000 0.443 137 G N 1.109 109.934 108.800 0.042 0.000 2.432 137 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.219 137 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.219 137 G C 1.362 176.242 174.900 -0.033 0.000 1.135 137 G CA 0.820 45.921 45.100 0.003 0.000 0.767 137 G HN 0.421 nan 8.290 nan 0.000 0.550 138 E N -0.702 119.484 120.200 -0.023 0.000 2.047 138 E HA -0.179 4.170 4.350 -0.002 0.000 0.191 138 E C 2.073 178.635 176.600 -0.063 0.000 0.987 138 E CA 0.753 57.161 56.400 0.014 0.000 0.799 138 E CB -0.313 29.466 29.700 0.133 0.000 0.752 138 E HN 0.470 nan 8.360 nan 0.000 0.449 139 Y N 1.825 121.824 120.300 -0.500 0.000 2.181 139 Y HA -0.209 4.340 4.550 -0.002 0.000 0.288 139 Y C 2.131 177.811 175.900 -0.368 0.000 1.146 139 Y CA 2.112 59.748 58.100 -0.773 0.000 1.164 139 Y CB -0.235 37.562 38.460 -1.105 0.000 0.982 139 Y HN -0.100 nan 8.280 nan 0.000 0.515 140 K N -0.145 119.986 120.400 -0.448 0.000 2.147 140 K HA -0.187 4.132 4.320 -0.002 0.000 0.205 140 K C 1.303 177.699 176.600 -0.339 0.000 1.049 140 K CA 1.893 57.912 56.287 -0.446 0.000 0.936 140 K CB -0.207 32.172 32.500 -0.202 0.000 0.722 140 K HN 0.314 nan 8.250 nan 0.000 0.446 141 D N 0.851 121.114 120.400 -0.228 0.000 2.234 141 D HA -0.089 4.550 4.640 -0.002 0.000 0.205 141 D C 1.188 177.393 176.300 -0.159 0.000 0.962 141 D CA 0.950 54.842 54.000 -0.179 0.000 0.855 141 D CB -0.069 40.674 40.800 -0.096 0.000 0.951 141 D HN 0.265 nan 8.370 nan 0.000 0.500 142 D N -0.610 119.716 120.400 -0.125 0.000 2.162 142 D HA -0.058 4.581 4.640 -0.002 0.000 0.203 142 D C 1.596 177.810 176.300 -0.142 0.000 0.967 142 D CA 0.288 54.246 54.000 -0.070 0.000 0.840 142 D CB -0.228 40.624 40.800 0.087 0.000 0.972 142 D HN 0.120 nan 8.370 nan 0.000 0.482 143 F N 1.563 121.255 119.950 -0.430 0.000 2.084 143 F HA -0.045 4.481 4.527 -0.002 0.000 0.296 143 F C 2.110 177.702 175.800 -0.347 0.000 1.111 143 F CA 1.265 58.999 58.000 -0.443 0.000 1.224 143 F CB 0.062 38.651 39.000 -0.686 0.000 0.991 143 F HN -0.246 nan 8.300 nan 0.000 0.471 144 K N -0.165 120.068 120.400 -0.279 0.000 2.074 144 K HA -0.279 4.040 4.320 -0.002 0.000 0.209 144 K C 2.374 178.790 176.600 -0.308 0.000 1.048 144 K CA 1.842 57.855 56.287 -0.455 0.000 0.926 144 K CB -0.222 31.921 32.500 -0.596 0.000 0.713 144 K HN 0.213 nan 8.250 nan 0.000 0.444 145 R N 0.567 120.919 120.500 -0.246 0.000 2.062 145 R HA -0.057 4.282 4.340 -0.002 0.000 0.231 145 R C 2.278 178.461 176.300 -0.194 0.000 1.136 145 R CA 1.487 57.476 56.100 -0.186 0.000 0.948 145 R CB -0.128 30.089 30.300 -0.139 0.000 0.845 145 R HN 0.125 nan 8.270 nan 0.000 0.430 146 M N 0.684 120.144 119.600 -0.233 0.000 2.195 146 M HA -0.217 4.261 4.480 -0.002 0.000 0.260 146 M C 2.167 178.309 176.300 -0.264 0.000 1.066 146 M CA 1.562 56.716 55.300 -0.244 0.000 1.089 146 M CB -0.256 32.168 32.600 -0.293 0.000 1.377 146 M HN 0.289 nan 8.290 nan 0.000 0.411 147 L N -0.139 120.894 121.223 -0.316 0.000 2.068 147 L HA -0.094 4.245 4.340 -0.002 0.000 0.204 147 L C 3.012 179.791 176.870 -0.152 0.000 1.076 147 L CA 1.419 56.109 54.840 -0.250 0.000 0.753 147 L CB -1.212 40.702 42.059 -0.242 0.000 0.910 147 L HN 0.331 nan 8.230 nan 0.000 0.439 148 E N 0.651 120.765 120.200 -0.144 0.000 2.333 148 E HA -0.234 4.115 4.350 -0.002 0.000 0.198 148 E C 1.764 178.309 176.600 -0.092 0.000 1.007 148 E CA 1.460 57.798 56.400 -0.103 0.000 0.845 148 E CB -0.620 29.014 29.700 -0.111 0.000 0.766 148 E HN 0.663 nan 8.360 nan 0.000 0.507 149 E N -0.611 119.525 120.200 -0.107 0.000 2.340 149 E HA -0.002 4.346 4.350 -0.002 0.000 0.194 149 E C 1.239 177.790 176.600 -0.081 0.000 0.996 149 E CA 0.338 56.684 56.400 -0.088 0.000 0.869 149 E CB 0.444 30.088 29.700 -0.094 0.000 0.835 149 E HN 0.319 nan 8.360 nan 0.000 0.493 150 Q N -0.087 119.657 119.800 -0.093 0.000 2.201 150 Q HA 0.147 4.486 4.340 -0.002 0.000 0.217 150 Q C 0.502 176.463 176.000 -0.065 0.000 0.860 150 Q CA 0.095 55.849 55.803 -0.081 0.000 0.984 150 Q CB 0.913 29.592 28.738 -0.099 0.000 1.095 150 Q HN 0.338 nan 8.270 nan 0.000 0.477 151 G N 1.746 110.511 108.800 -0.058 0.000 2.356 151 G HA2 -0.308 3.650 3.960 -0.002 0.000 0.296 151 G HA3 -0.308 3.650 3.960 -0.002 0.000 0.296 151 G C -0.151 174.725 174.900 -0.039 0.000 1.022 151 G CA 0.806 45.880 45.100 -0.043 0.000 0.961 151 G HN 0.368 nan 8.290 nan 0.000 0.510 152 E N -0.069 120.102 120.200 -0.049 0.000 2.222 152 E HA 0.594 4.943 4.350 -0.002 0.000 0.267 152 E C 0.569 177.157 176.600 -0.020 0.000 0.884 152 E CA 0.026 56.402 56.400 -0.040 0.000 0.764 152 E CB 0.946 30.606 29.700 -0.066 0.000 1.169 152 E HN 0.538 nan 8.360 nan 0.000 0.413 153 E N 2.518 122.718 120.200 0.000 0.000 2.404 153 E HA 0.082 4.431 4.350 -0.002 0.000 0.261 153 E C -1.476 175.158 176.600 0.057 0.000 1.074 153 E CA 0.069 56.485 56.400 0.027 0.000 0.917 153 E CB 0.541 30.252 29.700 0.019 0.000 0.965 153 E HN 0.454 nan 8.360 nan 0.000 0.433 154 Y N 0.353 120.622 120.300 -0.052 0.000 2.429 154 Y HA 0.524 5.072 4.550 -0.002 0.000 0.342 154 Y C -0.753 175.116 175.900 -0.050 0.000 1.004 154 Y CA -1.006 57.056 58.100 -0.063 0.000 1.075 154 Y CB 1.788 40.204 38.460 -0.073 0.000 1.214 154 Y HN 0.401 nan 8.280 nan 0.000 0.455 155 V N 6.532 125.860 119.914 -0.976 0.000 2.448 155 V HA 0.144 4.263 4.120 -0.002 0.000 0.295 155 V C 0.641 176.133 176.094 -1.003 0.000 1.025 155 V CA -0.580 61.313 62.300 -0.678 0.000 0.859 155 V CB 1.385 33.023 31.823 -0.307 0.000 0.988 155 V HN 1.048 nan 8.190 nan 0.000 0.431 156 D N 4.745 124.897 120.400 -0.414 0.000 4.742 156 D HA -0.271 4.368 4.640 -0.002 0.000 0.284 156 D C 1.526 177.733 176.300 -0.155 0.000 1.470 156 D CA 2.789 56.707 54.000 -0.136 0.000 0.932 156 D CB -0.063 40.732 40.800 -0.008 0.000 0.901 156 D HN 0.841 nan 8.370 nan 0.000 0.689 157 G N -1.501 107.156 108.800 -0.239 0.000 4.379 157 G HA2 0.265 4.224 3.960 -0.002 0.000 0.290 157 G HA3 0.265 4.224 3.960 -0.002 0.000 0.290 157 G C 1.087 175.586 174.900 -0.668 0.000 1.065 157 G CA 0.370 45.355 45.100 -0.192 0.000 0.833 157 G HN 0.419 nan 8.290 nan 0.000 0.512 158 M N 0.070 118.882 119.600 -1.313 0.000 2.446 158 M HA -0.013 4.466 4.480 -0.002 0.000 0.263 158 M C 1.966 177.428 176.300 -1.397 0.000 1.066 158 M CA 1.630 55.564 55.300 -2.276 0.000 1.087 158 M CB -0.319 31.180 32.600 -1.835 0.000 1.406 158 M HN 0.192 nan 8.290 nan 0.000 0.459 159 E N 0.747 120.214 120.200 -1.222 0.000 2.265 159 E HA -0.213 4.136 4.350 -0.002 0.000 0.196 159 E C 0.830 176.771 176.600 -1.099 0.000 0.996 159 E CA 1.413 56.742 56.400 -1.787 0.000 0.832 159 E CB -0.815 27.812 29.700 -1.789 0.000 0.756 159 E HN 0.881 nan 8.360 nan 0.000 0.491 160 W N -0.708 120.377 121.300 -0.358 0.000 3.278 160 W HA 0.215 4.874 4.660 -0.002 0.000 0.308 160 W C 1.150 177.822 176.519 0.255 0.000 1.253 160 W CA -1.083 56.254 57.345 -0.013 0.000 1.759 160 W CB 0.071 29.566 29.460 0.058 0.000 1.093 160 W HN -0.019 nan 8.180 nan 0.000 0.648 161 W N 0.680 122.054 121.300 0.123 0.000 2.418 161 W HA 0.028 4.686 4.660 -0.002 0.000 0.292 161 W C 0.532 177.159 176.519 0.180 0.000 1.213 161 W CA 0.627 58.061 57.345 0.148 0.000 1.283 161 W CB -1.046 28.448 29.460 0.056 0.000 1.119 161 W HN -0.269 nan 8.180 nan 0.000 0.542 162 N N -1.026 117.800 118.700 0.211 0.000 2.321 162 N HA 0.137 4.876 4.740 -0.002 0.000 0.290 162 N C -1.296 174.029 175.510 -0.309 0.000 1.212 162 N CA -0.768 52.321 53.050 0.066 0.000 0.767 162 N CB 1.981 40.560 38.487 0.152 0.000 1.494 162 N HN -0.266 nan 8.380 nan 0.000 0.479 163 F N 2.223 121.936 119.950 -0.395 0.000 2.459 163 F HA 0.291 4.817 4.527 -0.002 0.000 0.346 163 F C 0.325 176.055 175.800 -0.117 0.000 1.128 163 F CA -0.096 57.702 58.000 -0.337 0.000 1.268 163 F CB 0.455 39.400 39.000 -0.092 0.000 1.161 163 F HN 0.515 nan 8.300 nan 0.000 0.583 164 N N 2.848 120.840 118.700 -1.180 0.000 2.961 164 N HA 0.074 4.813 4.740 -0.002 0.000 0.245 164 N C -0.394 174.562 175.510 -0.923 0.000 1.404 164 N CA -0.717 51.831 53.050 -0.838 0.000 0.880 164 N CB 1.117 39.449 38.487 -0.258 0.000 1.461 164 N HN 0.449 nan 8.380 nan 0.000 0.510 165 E N 0.334 120.233 120.200 -0.500 0.000 2.204 165 E HA -0.178 4.171 4.350 -0.002 0.000 0.195 165 E C 1.888 178.405 176.600 -0.139 0.000 0.990 165 E CA 2.047 58.284 56.400 -0.272 0.000 0.821 165 E CB -0.497 29.130 29.700 -0.121 0.000 0.750 165 E HN 0.843 nan 8.360 nan 0.000 0.477 166 E N 1.041 121.201 120.200 -0.066 0.000 2.106 166 E HA -0.065 4.283 4.350 -0.002 0.000 0.192 166 E C 1.798 178.487 176.600 0.147 0.000 0.984 166 E CA 1.292 57.747 56.400 0.092 0.000 0.806 166 E CB -0.516 29.320 29.700 0.225 0.000 0.750 166 E HN 0.276 nan 8.360 nan 0.000 0.458 167 M N -1.108 118.471 119.600 -0.035 0.000 2.132 167 M HA -0.060 4.418 4.480 -0.002 0.000 0.263 167 M C 2.532 178.793 176.300 -0.066 0.000 1.065 167 M CA 2.278 57.418 55.300 -0.267 0.000 1.122 167 M CB -0.081 32.274 32.600 -0.409 0.000 1.365 167 M HN 0.442 nan 8.290 nan 0.000 0.411 168 M N 1.020 120.593 119.600 -0.044 0.000 2.080 168 M HA -0.239 4.240 4.480 -0.002 0.000 0.260 168 M C 1.268 177.609 176.300 0.069 0.000 1.068 168 M CA 2.050 57.417 55.300 0.112 0.000 1.109 168 M CB -0.551 32.151 32.600 0.171 0.000 1.342 168 M HN 0.240 nan 8.290 nan 0.000 0.405 169 D N -1.078 119.331 120.400 0.014 0.000 2.123 169 D HA -0.189 4.450 4.640 -0.002 0.000 0.196 169 D C 1.903 178.169 176.300 -0.056 0.000 0.992 169 D CA 1.554 55.529 54.000 -0.042 0.000 0.833 169 D CB -0.517 40.219 40.800 -0.106 0.000 0.954 169 D HN 0.462 nan 8.370 nan 0.000 0.455 170 Y N 1.260 121.539 120.300 -0.034 0.000 2.242 170 Y HA -0.128 4.420 4.550 -0.002 0.000 0.291 170 Y C 2.254 178.154 175.900 -0.000 0.000 1.137 170 Y CA 1.139 59.225 58.100 -0.024 0.000 1.181 170 Y CB -0.461 37.950 38.460 -0.082 0.000 0.989 170 Y HN 0.032 nan 8.280 nan 0.000 0.527 171 N N -0.351 118.443 118.700 0.157 0.000 2.043 171 N HA -0.199 4.539 4.740 -0.002 0.000 0.193 171 N C 1.781 177.369 175.510 0.129 0.000 1.037 171 N CA 1.584 54.715 53.050 0.136 0.000 0.851 171 N CB -0.180 38.380 38.487 0.122 0.000 1.027 171 N HN 0.077 nan 8.380 nan 0.000 0.422 172 V N 1.191 121.161 119.914 0.093 0.000 2.332 172 V HA -0.245 3.873 4.120 -0.002 0.000 0.248 172 V C 2.472 178.568 176.094 0.004 0.000 1.055 172 V CA 1.754 64.088 62.300 0.057 0.000 1.038 172 V CB -0.725 31.087 31.823 -0.019 0.000 0.651 172 V HN 0.470 nan 8.190 nan 0.000 0.450 173 Q N -0.468 119.325 119.800 -0.011 0.000 2.124 173 Q HA -0.258 4.081 4.340 -0.002 0.000 0.202 173 Q C 1.944 177.964 176.000 0.035 0.000 0.977 173 Q CA 1.860 57.649 55.803 -0.023 0.000 0.850 173 Q CB -0.106 28.605 28.738 -0.044 0.000 0.901 173 Q HN 0.614 nan 8.270 nan 0.000 0.429 174 D N -0.334 120.121 120.400 0.091 0.000 2.104 174 D HA -0.144 4.494 4.640 -0.002 0.000 0.194 174 D C 1.900 178.253 176.300 0.089 0.000 0.994 174 D CA 1.277 55.340 54.000 0.106 0.000 0.830 174 D CB -0.079 40.810 40.800 0.148 0.000 0.959 174 D HN 0.133 nan 8.370 nan 0.000 0.452 175 V N 1.012 121.002 119.914 0.127 0.000 2.515 175 V HA -0.181 3.937 4.120 -0.002 0.000 0.250 175 V C 2.664 178.817 176.094 0.098 0.000 1.058 175 V CA 1.476 63.867 62.300 0.152 0.000 1.064 175 V CB -0.476 31.509 31.823 0.269 0.000 0.675 175 V HN 0.175 nan 8.190 nan 0.000 0.461 176 V N -1.943 118.005 119.914 0.057 0.000 2.358 176 V HA -0.124 3.995 4.120 -0.002 0.000 0.246 176 V C 2.186 178.165 176.094 -0.191 0.000 1.047 176 V CA 1.915 64.183 62.300 -0.053 0.000 1.035 176 V CB -0.804 30.931 31.823 -0.147 0.000 0.658 176 V HN 0.284 nan 8.190 nan 0.000 0.452 177 V N 1.093 120.910 119.914 -0.163 0.000 2.515 177 V HA -0.186 3.933 4.120 -0.002 0.000 0.250 177 V C 2.785 178.696 176.094 -0.304 0.000 1.058 177 V CA 2.539 64.674 62.300 -0.276 0.000 1.064 177 V CB -1.158 30.648 31.823 -0.029 0.000 0.675 177 V HN 0.657 nan 8.190 nan 0.000 0.461 178 T N -0.494 113.973 114.554 -0.145 0.000 2.857 178 T HA -0.180 4.168 4.350 -0.002 0.000 0.266 178 T C 1.947 176.586 174.700 -0.102 0.000 1.048 178 T CA 1.532 63.583 62.100 -0.081 0.000 1.139 178 T CB -0.123 68.773 68.868 0.047 0.000 0.874 178 T HN 0.455 nan 8.240 nan 0.000 0.455 179 K N 1.182 121.496 120.400 -0.144 0.000 2.026 179 K HA -0.037 4.282 4.320 -0.002 0.000 0.208 179 K C 2.513 178.988 176.600 -0.207 0.000 1.048 179 K CA 1.253 57.447 56.287 -0.155 0.000 0.929 179 K CB -0.318 31.999 32.500 -0.306 0.000 0.713 179 K HN 0.262 nan 8.250 nan 0.000 0.439 180 A N 1.801 124.376 122.820 -0.408 0.000 1.902 180 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 180 A C 2.161 179.430 177.584 -0.525 0.000 1.181 180 A CA 1.314 52.990 52.037 -0.602 0.000 0.623 180 A CB -0.683 17.550 19.000 -1.278 0.000 0.818 180 A HN 0.437 nan 8.150 nan 0.000 0.443 181 L N -0.989 119.933 121.223 -0.502 0.000 2.017 181 L HA -0.174 4.165 4.340 -0.002 0.000 0.208 181 L C 2.557 179.438 176.870 0.017 0.000 1.073 181 L CA 1.960 56.720 54.840 -0.133 0.000 0.745 181 L CB -0.350 41.707 42.059 -0.003 0.000 0.894 181 L HN 0.499 nan 8.230 nan 0.000 0.432 182 L N 0.335 121.561 121.223 0.006 0.000 1.990 182 L HA -0.295 4.044 4.340 -0.002 0.000 0.213 182 L C 2.341 179.225 176.870 0.022 0.000 1.072 182 L CA 2.031 56.902 54.840 0.051 0.000 0.755 182 L CB -0.572 41.528 42.059 0.067 0.000 0.889 182 L HN 0.276 nan 8.230 nan 0.000 0.432 183 E N -0.687 119.519 120.200 0.010 0.000 2.153 183 E HA -0.273 4.076 4.350 -0.002 0.000 0.194 183 E C 2.130 178.757 176.600 0.046 0.000 0.988 183 E CA 1.245 57.654 56.400 0.015 0.000 0.811 183 E CB -0.160 29.558 29.700 0.030 0.000 0.746 183 E HN 0.518 nan 8.360 nan 0.000 0.466 184 K N 1.112 121.560 120.400 0.081 0.000 2.057 184 K HA -0.123 4.196 4.320 -0.002 0.000 0.206 184 K C 2.103 178.802 176.600 0.166 0.000 1.050 184 K CA 0.805 57.188 56.287 0.160 0.000 0.935 184 K CB 0.008 32.664 32.500 0.260 0.000 0.715 184 K HN 0.069 nan 8.250 nan 0.000 0.439 185 L N 0.998 122.315 121.223 0.156 0.000 2.046 185 L HA -0.165 4.173 4.340 -0.002 0.000 0.208 185 L C 2.279 179.226 176.870 0.129 0.000 1.077 185 L CA 0.985 55.922 54.840 0.163 0.000 0.747 185 L CB -0.311 41.854 42.059 0.176 0.000 0.896 185 L HN 0.227 nan 8.230 nan 0.000 0.432 186 L N -0.423 120.771 121.223 -0.049 0.000 2.465 186 L HA -0.101 4.238 4.340 -0.002 0.000 0.224 186 L C 2.519 179.386 176.870 -0.006 0.000 1.145 186 L CA 0.901 55.565 54.840 -0.293 0.000 0.834 186 L CB -0.465 41.358 42.059 -0.393 0.000 0.944 186 L HN 0.362 nan 8.230 nan 0.000 0.451 187 S N -2.320 113.428 115.700 0.082 0.000 2.603 187 S HA -0.077 4.392 4.470 -0.002 0.000 0.220 187 S C 0.789 175.487 174.600 0.163 0.000 0.967 187 S CA -0.210 58.061 58.200 0.117 0.000 0.920 187 S CB -0.318 62.949 63.200 0.112 0.000 0.773 187 S HN 0.288 nan 8.310 nan 0.000 0.529 188 D N 1.986 122.517 120.400 0.219 0.000 2.374 188 D HA 0.333 4.972 4.640 -0.002 0.000 0.240 188 D C 1.234 177.696 176.300 0.270 0.000 1.229 188 D CA 0.149 54.293 54.000 0.240 0.000 0.895 188 D CB 1.300 42.252 40.800 0.254 0.000 1.046 188 D HN 0.387 nan 8.370 nan 0.000 0.498 189 K N 3.066 123.581 120.400 0.192 0.000 2.211 189 K HA -0.225 4.094 4.320 -0.002 0.000 0.204 189 K C 1.774 178.417 176.600 0.072 0.000 1.047 189 K CA 1.890 58.263 56.287 0.144 0.000 0.935 189 K CB -0.982 31.589 32.500 0.118 0.000 0.728 189 K HN 0.706 nan 8.250 nan 0.000 0.452 190 H N -1.483 117.564 119.070 -0.039 0.000 2.387 190 H HA -0.056 4.499 4.556 -0.002 0.000 0.299 190 H C 1.427 176.472 175.328 -0.472 0.000 1.090 190 H CA 2.296 58.183 56.048 -0.268 0.000 1.332 190 H CB 0.022 29.520 29.762 -0.439 0.000 1.386 190 H HN 0.613 nan 8.280 nan 0.000 0.516 191 Y N -1.969 118.212 120.300 -0.198 0.000 2.507 191 Y HA 0.221 4.770 4.550 -0.002 0.000 0.263 191 Y C -0.337 174.989 175.900 -0.957 0.000 1.093 191 Y CA -0.229 57.535 58.100 -0.560 0.000 1.285 191 Y CB 0.653 38.739 38.460 -0.623 0.000 1.115 191 Y HN 0.003 nan 8.280 nan 0.000 0.533 192 F N 0.651 120.531 119.950 -0.117 0.000 2.659 192 F HA 0.449 4.974 4.527 -0.002 0.000 0.342 192 F C -2.662 173.126 175.800 -0.021 0.000 1.168 192 F CA -3.433 54.374 58.000 -0.322 0.000 1.003 192 F CB 1.206 39.858 39.000 -0.579 0.000 1.267 192 F HN -0.284 nan 8.300 nan 0.000 0.463 193 P HA 0.005 nan 4.420 nan 0.000 0.261 193 P C -2.016 175.445 177.300 0.267 0.000 1.173 193 P CA -0.594 62.635 63.100 0.214 0.000 0.760 193 P CB 0.485 32.303 31.700 0.197 0.000 0.783 194 P HA -0.176 nan 4.420 nan 0.000 0.220 194 P C 1.143 178.506 177.300 0.106 0.000 1.148 194 P CA 1.216 64.400 63.100 0.140 0.000 0.803 194 P CB -0.187 31.573 31.700 0.100 0.000 0.782 195 E N -0.274 119.976 120.200 0.083 0.000 2.516 195 E HA -0.050 4.298 4.350 -0.002 0.000 0.199 195 E C 0.407 177.002 176.600 -0.009 0.000 1.069 195 E CA 0.553 56.974 56.400 0.034 0.000 0.876 195 E CB -0.384 29.330 29.700 0.023 0.000 0.843 195 E HN 0.312 nan 8.360 nan 0.000 0.530 196 I N 1.762 122.328 120.570 -0.006 0.000 2.465 196 I HA 0.157 4.326 4.170 -0.002 0.000 0.291 196 I C -0.495 175.508 176.117 -0.190 0.000 1.014 196 I CA -1.094 60.083 61.300 -0.205 0.000 1.093 196 I CB 1.842 39.534 38.000 -0.514 0.000 1.267 196 I HN -0.233 nan 8.210 nan 0.000 0.431 197 D N 5.686 125.950 120.400 -0.225 0.000 2.411 197 D HA 0.168 4.807 4.640 -0.002 0.000 0.225 197 D C 0.438 176.594 176.300 -0.240 0.000 1.156 197 D CA -0.118 53.798 54.000 -0.141 0.000 0.874 197 D CB 0.458 41.190 40.800 -0.115 0.000 1.034 197 D HN 0.286 nan 8.370 nan 0.000 0.502 198 F N 1.179 121.045 119.950 -0.140 0.000 2.771 198 F HA -0.043 4.483 4.527 -0.002 0.000 0.299 198 F C 2.415 178.133 175.800 -0.137 0.000 1.177 198 F CA 0.770 58.692 58.000 -0.130 0.000 1.450 198 F CB -0.008 38.835 39.000 -0.261 0.000 1.114 198 F HN 0.370 nan 8.300 nan 0.000 0.587 199 T N -4.573 109.888 114.554 -0.155 0.000 3.122 199 T HA 0.067 4.415 4.350 -0.002 0.000 0.250 199 T C 0.585 175.085 174.700 -0.334 0.000 1.067 199 T CA 0.214 62.056 62.100 -0.430 0.000 0.966 199 T CB -0.102 68.220 68.868 -0.911 0.000 1.002 199 T HN 0.091 nan 8.240 nan 0.000 0.542 200 D N 1.155 121.440 120.400 -0.192 0.000 2.837 200 D HA 0.263 4.902 4.640 -0.002 0.000 0.340 200 D C -0.217 176.007 176.300 -0.127 0.000 1.451 200 D CA -0.396 53.521 54.000 -0.138 0.000 0.798 200 D CB 0.806 41.535 40.800 -0.118 0.000 1.169 200 D HN 0.390 nan 8.370 nan 0.000 0.449 201 V N -2.771 117.075 119.914 -0.114 0.000 3.102 201 V HA 1.003 5.122 4.120 -0.002 0.000 0.312 201 V C 0.787 176.841 176.094 -0.067 0.000 1.135 201 V CA -0.655 61.579 62.300 -0.111 0.000 1.022 201 V CB 1.332 33.053 31.823 -0.170 0.000 1.056 201 V HN 0.010 nan 8.190 nan 0.000 0.436 202 G N 0.339 109.090 108.800 -0.081 0.000 2.599 202 G HA2 0.326 4.284 3.960 -0.002 0.000 0.264 202 G HA3 0.326 4.284 3.960 -0.002 0.000 0.264 202 G C 0.161 175.018 174.900 -0.072 0.000 1.200 202 G CA 0.240 45.292 45.100 -0.080 0.000 0.896 202 G HN 1.377 nan 8.290 nan 0.000 0.536 203 Y N -0.981 119.283 120.300 -0.061 0.000 2.181 203 Y HA -0.118 4.431 4.550 -0.002 0.000 0.288 203 Y C 2.690 178.599 175.900 0.015 0.000 1.146 203 Y CA 1.975 60.012 58.100 -0.105 0.000 1.164 203 Y CB -1.018 37.437 38.460 -0.008 0.000 0.982 203 Y HN 0.449 nan 8.280 nan 0.000 0.515 204 T N -0.301 113.897 114.554 -0.594 0.000 2.746 204 T HA -0.181 4.168 4.350 -0.002 0.000 0.267 204 T C 1.763 176.471 174.700 0.015 0.000 1.039 204 T CA 2.390 64.362 62.100 -0.213 0.000 1.142 204 T CB -0.802 67.829 68.868 -0.396 0.000 0.866 204 T HN 0.623 nan 8.240 nan 0.000 0.444 205 T N 1.101 115.621 114.554 -0.057 0.000 2.821 205 T HA 0.023 4.372 4.350 -0.002 0.000 0.267 205 T C 1.369 176.120 174.700 0.086 0.000 1.046 205 T CA 1.175 63.270 62.100 -0.008 0.000 1.139 205 T CB -0.507 68.309 68.868 -0.087 0.000 0.871 205 T HN 0.477 nan 8.240 nan 0.000 0.454 206 F N 0.481 120.385 119.950 -0.078 0.000 2.095 206 F HA -0.103 4.423 4.527 -0.002 0.000 0.298 206 F C 1.792 177.629 175.800 0.061 0.000 1.104 206 F CA 1.234 59.228 58.000 -0.009 0.000 1.232 206 F CB -0.435 38.346 39.000 -0.364 0.000 0.987 206 F HN 0.254 nan 8.300 nan 0.000 0.475 207 W N 0.186 121.765 121.300 0.465 0.000 2.409 207 W HA -0.113 4.546 4.660 -0.002 0.000 0.299 207 W C 2.944 179.569 176.519 0.178 0.000 1.203 207 W CA 1.008 58.540 57.345 0.311 0.000 1.298 207 W CB -0.939 28.691 29.460 0.283 0.000 1.127 207 W HN 0.115 nan 8.180 nan 0.000 0.528 208 S N -0.039 115.876 115.700 0.359 0.000 2.406 208 S HA -0.125 4.343 4.470 -0.002 0.000 0.228 208 S C 1.445 176.149 174.600 0.173 0.000 1.020 208 S CA 1.129 59.465 58.200 0.227 0.000 0.965 208 S CB -0.337 62.958 63.200 0.158 0.000 0.798 208 S HN 0.193 nan 8.310 nan 0.000 0.488 209 E N 1.866 122.178 120.200 0.187 0.000 2.447 209 E HA 0.152 4.500 4.350 -0.002 0.000 0.195 209 E C 0.857 177.605 176.600 0.248 0.000 1.028 209 E CA 0.365 56.886 56.400 0.200 0.000 0.876 209 E CB 0.349 30.146 29.700 0.163 0.000 0.885 209 E HN 0.741 nan 8.360 nan 0.000 0.500 210 S N 0.519 116.303 115.700 0.140 0.000 2.672 210 S HA 0.339 4.807 4.470 -0.002 0.000 0.276 210 S C 0.258 174.783 174.600 -0.126 0.000 1.207 210 S CA -0.915 57.182 58.200 -0.172 0.000 1.002 210 S CB 1.455 64.380 63.200 -0.458 0.000 0.998 210 S HN 0.058 nan 8.310 nan 0.000 0.542 211 L N 1.641 122.703 121.223 -0.268 0.000 2.514 211 L HA 0.127 4.466 4.340 -0.002 0.000 0.280 211 L C 1.835 178.714 176.870 0.014 0.000 1.223 211 L CA 0.540 55.290 54.840 -0.151 0.000 0.864 211 L CB -0.135 41.770 42.059 -0.257 0.000 1.118 211 L HN 1.034 nan 8.230 nan 0.000 0.494 212 E N 3.480 123.736 120.200 0.093 0.000 2.147 212 E HA -0.301 4.047 4.350 -0.002 0.000 0.199 212 E C 1.678 178.415 176.600 0.229 0.000 1.005 212 E CA 1.556 58.075 56.400 0.199 0.000 0.810 212 E CB 0.042 29.909 29.700 0.278 0.000 0.736 212 E HN 0.907 nan 8.360 nan 0.000 0.460 213 A N 0.443 123.390 122.820 0.211 0.000 1.986 213 A HA -0.167 4.151 4.320 -0.002 0.000 0.220 213 A C 2.375 180.107 177.584 0.248 0.000 1.171 213 A CA 1.559 53.740 52.037 0.240 0.000 0.640 213 A CB -0.599 18.556 19.000 0.257 0.000 0.811 213 A HN 0.252 nan 8.150 nan 0.000 0.451 214 V N 0.276 120.338 119.914 0.247 0.000 2.343 214 V HA -0.243 3.875 4.120 -0.002 0.000 0.247 214 V C 2.367 178.789 176.094 0.547 0.000 1.051 214 V CA 2.435 64.959 62.300 0.373 0.000 1.036 214 V CB -0.714 31.270 31.823 0.268 0.000 0.654 214 V HN 0.702 nan 8.190 nan 0.000 0.451 215 D N 0.042 120.691 120.400 0.415 0.000 2.097 215 D HA -0.126 4.513 4.640 -0.002 0.000 0.197 215 D C 2.014 178.367 176.300 0.088 0.000 0.984 215 D CA 1.358 55.474 54.000 0.192 0.000 0.826 215 D CB -0.169 40.724 40.800 0.156 0.000 0.973 215 D HN 0.398 nan 8.370 nan 0.000 0.460 216 I N 0.570 121.229 120.570 0.149 0.000 2.163 216 I HA -0.214 3.954 4.170 -0.002 0.000 0.243 216 I C 2.262 178.448 176.117 0.114 0.000 1.085 216 I CA 1.044 62.416 61.300 0.119 0.000 1.347 216 I CB -0.237 37.881 38.000 0.197 0.000 1.044 216 I HN 0.066 nan 8.210 nan 0.000 0.408 217 E N 0.071 120.361 120.200 0.151 0.000 2.110 217 E HA -0.226 4.123 4.350 -0.002 0.000 0.193 217 E C 2.086 178.701 176.600 0.025 0.000 0.988 217 E CA 1.446 57.898 56.400 0.086 0.000 0.804 217 E CB -0.363 29.372 29.700 0.058 0.000 0.745 217 E HN 0.617 nan 8.360 nan 0.000 0.458 218 H N 0.113 119.247 119.070 0.106 0.000 2.363 218 H HA 0.065 4.620 4.556 -0.002 0.000 0.301 218 H C 2.267 177.681 175.328 0.144 0.000 1.074 218 H CA 1.409 57.534 56.048 0.129 0.000 1.354 218 H CB 0.143 29.978 29.762 0.121 0.000 1.397 218 H HN -0.017 nan 8.280 nan 0.000 0.516 219 R N 0.087 120.637 120.500 0.083 0.000 2.075 219 R HA -0.051 4.288 4.340 -0.002 0.000 0.232 219 R C 2.519 178.860 176.300 0.067 0.000 1.126 219 R CA 1.078 57.180 56.100 0.003 0.000 0.963 219 R CB -0.237 29.992 30.300 -0.117 0.000 0.858 219 R HN 0.287 nan 8.270 nan 0.000 0.435 220 A N 1.170 124.020 122.820 0.049 0.000 1.877 220 A HA -0.136 4.182 4.320 -0.002 0.000 0.216 220 A C 2.366 180.011 177.584 0.102 0.000 1.186 220 A CA 1.770 53.825 52.037 0.030 0.000 0.620 220 A CB -0.807 18.216 19.000 0.039 0.000 0.822 220 A HN 0.405 nan 8.150 nan 0.000 0.443 221 A N -1.548 121.364 122.820 0.153 0.000 1.933 221 A HA -0.177 4.142 4.320 -0.002 0.000 0.218 221 A C 2.097 179.855 177.584 0.290 0.000 1.175 221 A CA 1.358 53.509 52.037 0.191 0.000 0.628 221 A CB -0.800 18.274 19.000 0.123 0.000 0.814 221 A HN 0.850 nan 8.150 nan 0.000 0.444 222 W N 0.295 121.699 121.300 0.174 0.000 2.379 222 W HA -0.152 4.506 4.660 -0.002 0.000 0.307 222 W C 1.773 178.244 176.519 -0.081 0.000 1.200 222 W CA 1.776 59.129 57.345 0.013 0.000 1.297 222 W CB -0.413 28.995 29.460 -0.086 0.000 1.140 222 W HN 0.364 nan 8.180 nan 0.000 0.507 223 L N 1.283 122.601 121.223 0.158 0.000 2.046 223 L HA -0.156 4.182 4.340 -0.002 0.000 0.208 223 L C 2.364 179.192 176.870 -0.070 0.000 1.077 223 L CA 1.923 56.746 54.840 -0.027 0.000 0.747 223 L CB -1.173 40.817 42.059 -0.116 0.000 0.896 223 L HN -0.063 nan 8.230 nan 0.000 0.432 224 L N -0.675 120.554 121.223 0.010 0.000 2.217 224 L HA -0.089 4.249 4.340 -0.002 0.000 0.211 224 L C 2.638 179.512 176.870 0.006 0.000 1.107 224 L CA 0.876 55.751 54.840 0.058 0.000 0.783 224 L CB -0.850 41.291 42.059 0.137 0.000 0.919 224 L HN 0.369 nan 8.230 nan 0.000 0.442 225 A N 0.326 123.115 122.820 -0.052 0.000 1.902 225 A HA -0.243 4.075 4.320 -0.002 0.000 0.217 225 A C 2.310 179.788 177.584 -0.176 0.000 1.181 225 A CA 1.915 53.886 52.037 -0.111 0.000 0.623 225 A CB -0.358 18.525 19.000 -0.195 0.000 0.818 225 A HN 0.227 nan 8.150 nan 0.000 0.443 226 K N 0.214 120.453 120.400 -0.268 0.000 2.097 226 K HA -0.182 4.136 4.320 -0.002 0.000 0.206 226 K C 2.153 178.617 176.600 -0.227 0.000 1.049 226 K CA 2.067 58.151 56.287 -0.338 0.000 0.933 226 K CB -0.454 31.756 32.500 -0.484 0.000 0.717 226 K HN 0.607 nan 8.250 nan 0.000 0.442 227 Q N 0.337 120.074 119.800 -0.105 0.000 2.084 227 Q HA -0.179 4.159 4.340 -0.002 0.000 0.202 227 Q C 1.721 177.748 176.000 0.044 0.000 0.978 227 Q CA 1.781 57.592 55.803 0.013 0.000 0.844 227 Q CB -0.037 28.778 28.738 0.129 0.000 0.898 227 Q HN 0.478 nan 8.270 nan 0.000 0.426 228 E N 0.016 120.249 120.200 0.055 0.000 2.051 228 E HA -0.199 4.150 4.350 -0.002 0.000 0.192 228 E C 2.189 178.914 176.600 0.209 0.000 0.991 228 E CA 0.970 57.441 56.400 0.120 0.000 0.799 228 E CB -0.019 29.734 29.700 0.088 0.000 0.748 228 E HN 0.301 nan 8.360 nan 0.000 0.449 229 R N 0.575 121.132 120.500 0.095 0.000 2.096 229 R HA -0.096 4.242 4.340 -0.002 0.000 0.235 229 R C 2.097 178.549 176.300 0.252 0.000 1.127 229 R CA 1.071 57.239 56.100 0.113 0.000 0.968 229 R CB -0.077 30.190 30.300 -0.054 0.000 0.861 229 R HN 0.125 nan 8.270 nan 0.000 0.440 230 N N -0.195 118.574 118.700 0.116 0.000 2.058 230 N HA -0.074 4.665 4.740 -0.002 0.000 0.191 230 N C 0.976 176.711 175.510 0.375 0.000 1.037 230 N CA 1.511 54.658 53.050 0.162 0.000 0.848 230 N CB -0.398 37.989 38.487 -0.167 0.000 1.021 230 N HN 0.347 nan 8.380 nan 0.000 0.422 231 G N -0.138 108.732 108.800 0.116 0.000 2.795 231 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.664 231 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.664 231 G C -1.151 173.800 174.900 0.085 0.000 1.381 231 G CA -0.509 44.466 45.100 -0.209 0.000 0.853 231 G HN 0.206 nan 8.290 nan 0.000 0.545 232 F N 2.101 122.040 119.950 -0.018 0.000 2.375 232 F HA 0.609 5.135 4.527 -0.002 0.000 0.361 232 F C -1.878 173.988 175.800 0.110 0.000 1.117 232 F CA -2.797 55.286 58.000 0.137 0.000 1.037 232 F CB 1.792 40.938 39.000 0.242 0.000 1.192 232 F HN 0.235 nan 8.300 nan 0.000 0.452 233 P HA -0.051 nan 4.420 nan 0.000 0.261 233 P C -1.162 176.317 177.300 0.298 0.000 1.183 233 P CA 0.681 63.926 63.100 0.241 0.000 0.761 233 P CB 0.091 31.895 31.700 0.174 0.000 0.785 234 F N 3.112 122.995 119.950 -0.112 0.000 2.507 234 F HA 0.285 4.811 4.527 -0.002 0.000 0.325 234 F C 0.088 175.618 175.800 -0.450 0.000 1.116 234 F CA -0.998 56.758 58.000 -0.406 0.000 0.930 234 F CB 1.346 40.072 39.000 -0.457 0.000 1.146 234 F HN 0.114 nan 8.300 nan 0.000 0.447 235 D N 4.500 124.092 120.400 -1.347 0.000 2.551 235 D HA 0.086 4.725 4.640 -0.002 0.000 0.223 235 D C 1.129 176.820 176.300 -1.015 0.000 1.144 235 D CA 0.343 53.644 54.000 -1.166 0.000 1.025 235 D CB 0.610 40.617 40.800 -1.323 0.000 1.085 235 D HN 0.691 nan 8.370 nan 0.000 0.506 236 T N 0.499 114.697 114.554 -0.593 0.000 2.624 236 T HA -0.255 4.093 4.350 -0.002 0.000 0.268 236 T C 1.927 176.515 174.700 -0.187 0.000 1.041 236 T CA 1.711 63.670 62.100 -0.234 0.000 1.159 236 T CB -0.035 68.852 68.868 0.032 0.000 0.863 236 T HN 0.291 nan 8.240 nan 0.000 0.434 237 K N 1.086 121.389 120.400 -0.161 0.000 2.074 237 K HA -0.055 4.264 4.320 -0.002 0.000 0.209 237 K C 2.591 179.126 176.600 -0.107 0.000 1.048 237 K CA 1.469 57.697 56.287 -0.098 0.000 0.926 237 K CB -1.111 31.341 32.500 -0.079 0.000 0.713 237 K HN 0.497 nan 8.250 nan 0.000 0.444 238 A N 0.579 123.286 122.820 -0.189 0.000 1.933 238 A HA 0.008 4.327 4.320 -0.002 0.000 0.218 238 A C 2.183 179.707 177.584 -0.100 0.000 1.175 238 A CA 1.634 53.583 52.037 -0.145 0.000 0.628 238 A CB -0.392 18.489 19.000 -0.198 0.000 0.814 238 A HN 0.481 nan 8.150 nan 0.000 0.444 239 I N 0.241 120.716 120.570 -0.160 0.000 2.439 239 I HA -0.156 4.013 4.170 -0.002 0.000 0.251 239 I C 2.174 178.349 176.117 0.097 0.000 1.139 239 I CA 1.182 62.484 61.300 0.003 0.000 1.438 239 I CB -1.487 36.560 38.000 0.079 0.000 1.085 239 I HN 0.477 nan 8.210 nan 0.000 0.427 240 E N 0.699 120.942 120.200 0.072 0.000 2.106 240 E HA -0.206 4.143 4.350 -0.002 0.000 0.192 240 E C 1.911 178.580 176.600 0.115 0.000 0.984 240 E CA 1.004 57.487 56.400 0.138 0.000 0.806 240 E CB -0.025 29.729 29.700 0.091 0.000 0.750 240 E HN 0.570 nan 8.360 nan 0.000 0.458 241 E N 0.578 120.809 120.200 0.051 0.000 2.152 241 E HA -0.151 4.198 4.350 -0.002 0.000 0.192 241 E C 2.064 178.691 176.600 0.045 0.000 0.983 241 E CA 0.391 56.809 56.400 0.030 0.000 0.818 241 E CB 0.013 29.720 29.700 0.011 0.000 0.758 241 E HN 0.091 nan 8.360 nan 0.000 0.467 242 L N 0.457 121.722 121.223 0.069 0.000 2.093 242 L HA -0.165 4.174 4.340 -0.002 0.000 0.208 242 L C 2.221 179.141 176.870 0.083 0.000 1.085 242 L CA 1.505 56.389 54.840 0.074 0.000 0.755 242 L CB -0.496 41.619 42.059 0.094 0.000 0.904 242 L HN 0.100 nan 8.230 nan 0.000 0.435 243 Y N -0.421 119.858 120.300 -0.035 0.000 2.145 243 Y HA -0.191 4.357 4.550 -0.002 0.000 0.286 243 Y C 2.356 178.220 175.900 -0.059 0.000 1.145 243 Y CA 1.828 59.894 58.100 -0.057 0.000 1.148 243 Y CB -0.837 37.605 38.460 -0.029 0.000 0.981 243 Y HN 0.025 nan 8.280 nan 0.000 0.507 244 V N 0.926 120.755 119.914 -0.142 0.000 2.287 244 V HA -0.324 3.795 4.120 -0.002 0.000 0.248 244 V C 2.455 178.461 176.094 -0.145 0.000 1.053 244 V CA 2.329 64.493 62.300 -0.227 0.000 1.027 244 V CB -0.778 30.973 31.823 -0.120 0.000 0.646 244 V HN 0.504 nan 8.190 nan 0.000 0.447 245 E N 0.085 120.245 120.200 -0.066 0.000 2.051 245 E HA -0.227 4.122 4.350 -0.002 0.000 0.192 245 E C 2.232 178.794 176.600 -0.063 0.000 0.991 245 E CA 1.564 57.944 56.400 -0.033 0.000 0.799 245 E CB -0.172 29.542 29.700 0.023 0.000 0.748 245 E HN 0.585 nan 8.360 nan 0.000 0.449 246 L N 0.456 121.615 121.223 -0.107 0.000 2.046 246 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 246 L C 2.758 179.550 176.870 -0.130 0.000 1.077 246 L CA 1.067 55.808 54.840 -0.165 0.000 0.747 246 L CB -0.522 41.418 42.059 -0.198 0.000 0.896 246 L HN 0.237 nan 8.230 nan 0.000 0.432 247 A N 0.063 122.794 122.820 -0.150 0.000 1.933 247 A HA -0.158 4.160 4.320 -0.002 0.000 0.218 247 A C 2.538 180.055 177.584 -0.112 0.000 1.175 247 A CA 1.721 53.659 52.037 -0.166 0.000 0.628 247 A CB -0.652 18.151 19.000 -0.327 0.000 0.814 247 A HN 0.403 nan 8.150 nan 0.000 0.444 248 A N -0.195 122.565 122.820 -0.100 0.000 1.877 248 A HA -0.147 4.171 4.320 -0.002 0.000 0.216 248 A C 2.183 179.755 177.584 -0.020 0.000 1.186 248 A CA 2.093 54.098 52.037 -0.054 0.000 0.620 248 A CB -0.444 18.530 19.000 -0.044 0.000 0.822 248 A HN 0.432 nan 8.150 nan 0.000 0.443 249 R N 0.178 120.667 120.500 -0.017 0.000 2.120 249 R HA -0.083 4.256 4.340 -0.002 0.000 0.234 249 R C 2.198 178.509 176.300 0.018 0.000 1.123 249 R CA 1.840 57.949 56.100 0.015 0.000 0.975 249 R CB -0.600 29.720 30.300 0.033 0.000 0.866 249 R HN 0.606 nan 8.270 nan 0.000 0.446 250 R N -0.527 119.951 120.500 -0.037 0.000 2.066 250 R HA -0.037 4.302 4.340 -0.002 0.000 0.232 250 R C 1.929 178.293 176.300 0.105 0.000 1.131 250 R CA 1.896 57.965 56.100 -0.053 0.000 0.955 250 R CB -0.318 29.877 30.300 -0.176 0.000 0.851 250 R HN 0.202 nan 8.270 nan 0.000 0.432 251 S N 0.759 116.494 115.700 0.058 0.000 2.353 251 S HA -0.201 4.268 4.470 -0.002 0.000 0.222 251 S C 1.707 176.364 174.600 0.094 0.000 1.035 251 S CA 1.671 59.917 58.200 0.077 0.000 1.025 251 S CB -0.406 62.810 63.200 0.027 0.000 0.902 251 S HN 0.413 nan 8.310 nan 0.000 0.440 252 E N 1.474 121.716 120.200 0.070 0.000 2.097 252 E HA -0.116 4.233 4.350 -0.002 0.000 0.196 252 E C 1.845 178.504 176.600 0.099 0.000 1.000 252 E CA 1.199 57.639 56.400 0.068 0.000 0.804 252 E CB -0.504 29.227 29.700 0.050 0.000 0.740 252 E HN 0.500 nan 8.360 nan 0.000 0.454 253 L N -0.317 120.996 121.223 0.151 0.000 2.141 253 L HA -0.123 4.215 4.340 -0.002 0.000 0.209 253 L C 2.387 179.378 176.870 0.200 0.000 1.094 253 L CA 0.606 55.569 54.840 0.204 0.000 0.763 253 L CB -0.401 41.854 42.059 0.327 0.000 0.908 253 L HN 0.248 nan 8.230 nan 0.000 0.437 254 L N 0.055 121.416 121.223 0.228 0.000 2.027 254 L HA -0.177 4.162 4.340 -0.002 0.000 0.206 254 L C 2.725 179.659 176.870 0.108 0.000 1.074 254 L CA 1.620 56.549 54.840 0.149 0.000 0.745 254 L CB -0.605 41.567 42.059 0.188 0.000 0.898 254 L HN 0.106 nan 8.230 nan 0.000 0.433 255 R N -0.371 120.182 120.500 0.090 0.000 2.096 255 R HA -0.215 4.124 4.340 -0.002 0.000 0.240 255 R C 2.321 178.644 176.300 0.039 0.000 1.139 255 R CA 2.013 58.147 56.100 0.056 0.000 0.952 255 R CB -0.136 30.189 30.300 0.043 0.000 0.854 255 R HN 0.375 nan 8.270 nan 0.000 0.436 256 K N 0.231 120.654 120.400 0.039 0.000 2.002 256 K HA -0.130 4.189 4.320 -0.002 0.000 0.209 256 K C 2.202 178.785 176.600 -0.029 0.000 1.048 256 K CA 1.612 57.900 56.287 0.002 0.000 0.930 256 K CB -0.233 32.274 32.500 0.012 0.000 0.714 256 K HN 0.205 nan 8.250 nan 0.000 0.438 257 L N 1.036 122.279 121.223 0.034 0.000 2.131 257 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 257 L C 2.624 179.525 176.870 0.052 0.000 1.092 257 L CA 1.585 56.459 54.840 0.056 0.000 0.759 257 L CB -0.963 41.273 42.059 0.295 0.000 0.903 257 L HN 0.429 nan 8.230 nan 0.000 0.435 258 T N -4.270 110.361 114.554 0.128 0.000 2.995 258 T HA -0.126 4.223 4.350 -0.002 0.000 0.269 258 T C 1.743 176.458 174.700 0.025 0.000 1.091 258 T CA 0.576 62.760 62.100 0.140 0.000 1.128 258 T CB -0.037 68.907 68.868 0.127 0.000 0.891 258 T HN 0.179 nan 8.240 nan 0.000 0.492 259 E N 1.382 121.563 120.200 -0.033 0.000 2.051 259 E HA -0.059 4.290 4.350 -0.002 0.000 0.189 259 E C 2.335 178.846 176.600 -0.148 0.000 0.979 259 E CA 1.273 57.635 56.400 -0.063 0.000 0.803 259 E CB -0.567 29.098 29.700 -0.059 0.000 0.761 259 E HN 0.518 nan 8.360 nan 0.000 0.451 260 T N 0.578 114.959 114.554 -0.287 0.000 2.708 260 T HA -0.115 4.233 4.350 -0.002 0.000 0.266 260 T C 0.356 174.673 174.700 -0.639 0.000 1.037 260 T CA 1.008 62.779 62.100 -0.548 0.000 1.146 260 T CB -0.192 68.148 68.868 -0.880 0.000 0.865 260 T HN -0.035 nan 8.240 nan 0.000 0.435 261 F N 1.363 121.149 119.950 -0.273 0.000 2.347 261 F HA 0.608 5.134 4.527 -0.002 0.000 0.366 261 F C 0.869 176.606 175.800 -0.106 0.000 1.107 261 F CA -1.724 56.082 58.000 -0.324 0.000 1.058 261 F CB 0.659 39.129 39.000 -0.884 0.000 1.236 261 F HN 0.010 nan 8.300 nan 0.000 0.456 262 G N 1.105 110.000 108.800 0.160 0.000 2.562 262 G HA2 0.443 4.402 3.960 -0.002 0.000 0.275 262 G HA3 0.443 4.402 3.960 -0.002 0.000 0.275 262 G C -0.071 175.003 174.900 0.290 0.000 1.196 262 G CA -0.608 44.596 45.100 0.173 0.000 0.908 262 G HN 0.678 nan 8.290 nan 0.000 0.524 263 S N -1.051 114.733 115.700 0.141 0.000 2.606 263 S HA 0.607 5.076 4.470 -0.002 0.000 0.257 263 S C -0.395 174.343 174.600 0.230 0.000 1.327 263 S CA 0.211 58.379 58.200 -0.054 0.000 0.984 263 S CB 0.527 63.437 63.200 -0.483 0.000 0.941 263 S HN 1.211 nan 8.310 nan 0.000 0.576 264 W N -1.944 119.313 121.300 -0.072 0.000 2.923 264 W HA 0.722 5.381 4.660 -0.002 0.000 0.373 264 W C -2.356 174.133 176.519 -0.050 0.000 1.205 264 W CA -1.474 55.885 57.345 0.023 0.000 1.180 264 W CB 0.296 29.773 29.460 0.028 0.000 1.477 264 W HN 0.557 nan 8.180 nan 0.000 0.581 265 Y N 1.569 122.094 120.300 0.375 0.000 2.487 265 Y HA 0.591 5.140 4.550 -0.002 0.000 0.337 265 Y C 0.273 176.352 175.900 0.298 0.000 1.076 265 Y CA -0.810 57.425 58.100 0.225 0.000 1.115 265 Y CB 2.227 40.782 38.460 0.157 0.000 1.235 265 Y HN 0.347 nan 8.280 nan 0.000 0.468 266 Q N 3.406 123.405 119.800 0.331 0.000 2.345 266 Q HA 0.350 4.689 4.340 -0.002 0.000 0.275 266 Q C -2.821 173.296 176.000 0.194 0.000 1.063 266 Q CA -2.455 53.509 55.803 0.269 0.000 0.819 266 Q CB 2.922 31.806 28.738 0.243 0.000 1.356 266 Q HN 0.316 nan 8.270 nan 0.000 0.418 267 P HA -0.003 nan 4.420 nan 0.000 0.268 267 P C -0.854 176.500 177.300 0.091 0.000 1.205 267 P CA 0.053 63.215 63.100 0.104 0.000 0.771 267 P CB 0.856 32.600 31.700 0.074 0.000 0.858 268 K N 1.652 122.097 120.400 0.075 0.000 2.582 268 K HA 0.511 4.830 4.320 -0.002 0.000 0.259 268 K C 0.169 176.796 176.600 0.046 0.000 0.973 268 K CA 0.155 56.479 56.287 0.062 0.000 0.880 268 K CB 0.296 32.840 32.500 0.073 0.000 1.310 268 K HN 0.925 nan 8.250 nan 0.000 0.443 269 G N 1.588 110.405 108.800 0.028 0.000 2.176 269 G HA2 -0.120 3.839 3.960 -0.002 0.000 0.232 269 G HA3 -0.120 3.839 3.960 -0.002 0.000 0.232 269 G C 0.626 175.515 174.900 -0.019 0.000 0.986 269 G CA 0.215 45.322 45.100 0.013 0.000 0.643 269 G HN 1.524 nan 8.290 nan 0.000 0.522 270 G N 0.061 108.847 108.800 -0.024 0.000 2.398 270 G HA2 0.546 4.504 3.960 -0.002 0.000 0.246 270 G HA3 0.546 4.504 3.960 -0.002 0.000 0.246 270 G C 0.916 175.798 174.900 -0.029 0.000 1.289 270 G CA 1.130 46.200 45.100 -0.051 0.000 0.869 270 G HN 1.298 nan 8.290 nan 0.000 0.543 271 T N -1.159 113.369 114.554 -0.043 0.000 3.170 271 T HA 0.349 4.698 4.350 -0.002 0.000 0.288 271 T C 0.165 174.855 174.700 -0.017 0.000 0.992 271 T CA -0.268 61.818 62.100 -0.023 0.000 0.909 271 T CB 0.196 69.049 68.868 -0.026 0.000 1.133 271 T HN 0.524 nan 8.240 nan 0.000 0.530 272 E N 1.313 121.504 120.200 -0.015 0.000 2.256 272 E HA 0.507 4.856 4.350 -0.002 0.000 0.268 272 E C -1.116 175.507 176.600 0.038 0.000 0.877 272 E CA -1.073 55.328 56.400 0.002 0.000 0.757 272 E CB 2.104 31.796 29.700 -0.013 0.000 1.183 272 E HN 0.150 nan 8.360 nan 0.000 0.418 273 M N 3.135 122.759 119.600 0.040 0.000 2.248 273 M HA 0.137 4.616 4.480 -0.002 0.000 0.345 273 M C -1.054 175.304 176.300 0.097 0.000 1.243 273 M CA -0.044 55.297 55.300 0.070 0.000 1.090 273 M CB 0.111 32.733 32.600 0.037 0.000 1.683 273 M HN 0.493 nan 8.290 nan 0.000 0.450 274 F N 5.844 125.793 119.950 -0.000 0.000 2.420 274 F HA 0.468 4.993 4.527 -0.002 0.000 0.352 274 F C -0.897 174.881 175.800 -0.037 0.000 1.108 274 F CA -0.704 57.274 58.000 -0.037 0.000 1.162 274 F CB 0.308 39.272 39.000 -0.060 0.000 1.118 274 F HN 0.588 nan 8.300 nan 0.000 0.510 275 C N 5.759 124.605 119.300 -0.756 0.000 2.417 275 C HA 0.258 4.717 4.460 -0.002 0.000 0.324 275 C C -0.053 174.509 174.990 -0.714 0.000 1.240 275 C CA -0.951 57.744 59.018 -0.537 0.000 1.632 275 C CB 0.637 28.219 27.740 -0.264 0.000 2.241 275 C HN 0.879 nan 8.230 nan 0.000 0.499 276 H N 3.386 122.148 119.070 -0.513 0.000 3.184 276 H HA 0.022 4.576 4.556 -0.002 0.000 0.274 276 H C -1.517 173.646 175.328 -0.275 0.000 0.962 276 H CA -0.853 54.975 56.048 -0.367 0.000 1.441 276 H CB 0.757 30.418 29.762 -0.168 0.000 1.518 276 H HN 0.439 nan 8.280 nan 0.000 0.539 277 P HA -0.235 nan 4.420 nan 0.000 0.217 277 P C 1.474 178.744 177.300 -0.049 0.000 1.148 277 P CA 1.276 64.363 63.100 -0.022 0.000 0.834 277 P CB 0.101 31.816 31.700 0.025 0.000 0.783 278 R N -0.376 120.067 120.500 -0.094 0.000 2.070 278 R HA -0.111 4.228 4.340 -0.002 0.000 0.227 278 R C 2.168 178.285 176.300 -0.305 0.000 1.147 278 R CA 2.749 58.681 56.100 -0.280 0.000 0.924 278 R CB -1.006 28.973 30.300 -0.536 0.000 0.827 278 R HN 0.230 nan 8.270 nan 0.000 0.431 279 T N -3.832 110.444 114.554 -0.462 0.000 2.814 279 T HA 0.200 4.548 4.350 -0.002 0.000 0.254 279 T C 1.473 176.076 174.700 -0.163 0.000 1.037 279 T CA 0.936 62.878 62.100 -0.263 0.000 1.143 279 T CB 0.205 68.923 68.868 -0.249 0.000 0.866 279 T HN 0.533 nan 8.240 nan 0.000 0.431 280 G N 1.186 109.897 108.800 -0.149 0.000 2.205 280 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.180 280 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.180 280 G C -0.026 174.824 174.900 -0.084 0.000 1.004 280 G CA -0.013 45.021 45.100 -0.110 0.000 0.670 280 G HN 0.792 nan 8.290 nan 0.000 0.496 281 K N 1.559 121.923 120.400 -0.061 0.000 2.453 281 K HA 0.297 4.616 4.320 -0.002 0.000 0.280 281 K C -2.196 174.392 176.600 -0.019 0.000 1.045 281 K CA -0.916 55.361 56.287 -0.018 0.000 1.059 281 K CB 0.418 32.934 32.500 0.028 0.000 0.901 281 K HN 0.072 nan 8.250 nan 0.000 0.475 282 P HA -0.004 nan 4.420 nan 0.000 0.268 282 P C -0.973 176.356 177.300 0.049 0.000 1.205 282 P CA 0.182 63.280 63.100 -0.003 0.000 0.771 282 P CB 0.491 32.196 31.700 0.008 0.000 0.858 283 L N 5.565 126.841 121.223 0.089 0.000 2.495 283 L HA 0.282 4.621 4.340 -0.002 0.000 0.248 283 L C -1.780 175.234 176.870 0.240 0.000 1.229 283 L CA -1.585 53.384 54.840 0.216 0.000 0.942 283 L CB 1.610 43.882 42.059 0.355 0.000 1.242 283 L HN 0.229 nan 8.230 nan 0.000 0.484 284 P HA -0.169 nan 4.420 nan 0.000 0.220 284 P C 1.706 179.076 177.300 0.116 0.000 1.148 284 P CA 1.203 64.373 63.100 0.116 0.000 0.803 284 P CB 0.292 32.036 31.700 0.073 0.000 0.782 285 K N -0.985 119.487 120.400 0.119 0.000 2.103 285 K HA -0.113 4.206 4.320 -0.002 0.000 0.204 285 K C 0.859 177.475 176.600 0.026 0.000 1.052 285 K CA 1.001 57.315 56.287 0.045 0.000 0.945 285 K CB -1.830 30.666 32.500 -0.006 0.000 0.722 285 K HN 0.144 nan 8.250 nan 0.000 0.443 286 Y N 1.611 121.950 120.300 0.065 0.000 2.597 286 Y HA 0.149 4.698 4.550 -0.002 0.000 0.336 286 Y C -1.595 174.316 175.900 0.019 0.000 1.216 286 Y CA -2.313 55.805 58.100 0.030 0.000 1.463 286 Y CB 0.628 39.133 38.460 0.075 0.000 1.303 286 Y HN 0.216 nan 8.280 nan 0.000 0.576 287 P HA 0.034 nan 4.420 nan 0.000 0.269 287 P C -0.628 176.717 177.300 0.075 0.000 1.215 287 P CA -0.297 62.845 63.100 0.071 0.000 0.780 287 P CB 0.710 32.433 31.700 0.038 0.000 0.898 288 R N 1.159 121.691 120.500 0.053 0.000 2.643 288 R HA 0.274 4.613 4.340 -0.002 0.000 0.270 288 R C 0.581 176.871 176.300 -0.017 0.000 1.061 288 R CA 0.058 56.181 56.100 0.038 0.000 1.107 288 R CB -0.663 29.650 30.300 0.021 0.000 0.999 288 R HN 0.531 nan 8.270 nan 0.000 0.460 289 I N -2.977 117.578 120.570 -0.024 0.000 3.237 289 I HA 0.858 5.026 4.170 -0.002 0.000 0.308 289 I C -0.482 175.515 176.117 -0.200 0.000 1.093 289 I CA -1.291 59.935 61.300 -0.124 0.000 1.001 289 I CB 1.960 39.943 38.000 -0.028 0.000 1.245 289 I HN 0.383 nan 8.210 nan 0.000 0.485 290 K N 0.949 121.113 120.400 -0.395 0.000 2.468 290 K HA 0.678 4.996 4.320 -0.002 0.000 0.252 290 K C -0.612 175.818 176.600 -0.284 0.000 0.932 290 K CA -0.332 55.728 56.287 -0.379 0.000 0.794 290 K CB 1.311 33.475 32.500 -0.561 0.000 1.241 290 K HN 0.858 nan 8.250 nan 0.000 0.428 291 T N 1.005 115.491 114.554 -0.113 0.000 2.842 291 T HA 0.576 4.924 4.350 -0.002 0.000 0.308 291 T C -2.139 172.556 174.700 -0.008 0.000 1.041 291 T CA -1.906 60.184 62.100 -0.017 0.000 0.964 291 T CB 0.884 69.752 68.868 -0.000 0.000 0.972 291 T HN 0.499 nan 8.240 nan 0.000 0.460 292 P HA 0.227 nan 4.420 nan 0.000 0.265 292 P C 0.699 178.007 177.300 0.013 0.000 1.193 292 P CA -0.164 62.922 63.100 -0.024 0.000 0.765 292 P CB 0.803 32.479 31.700 -0.041 0.000 0.823 293 K N 2.382 122.787 120.400 0.008 0.000 2.262 293 K HA 0.178 4.497 4.320 -0.002 0.000 0.200 293 K C 1.163 177.781 176.600 0.030 0.000 1.049 293 K CA 1.317 57.614 56.287 0.017 0.000 0.979 293 K CB -0.495 32.011 32.500 0.010 0.000 0.773 293 K HN 0.574 nan 8.250 nan 0.000 0.474 294 V N -4.419 115.521 119.914 0.042 0.000 3.103 294 V HA 0.943 5.062 4.120 -0.002 0.000 0.318 294 V C 0.310 176.452 176.094 0.080 0.000 1.114 294 V CA -0.375 61.957 62.300 0.053 0.000 1.020 294 V CB 0.996 32.850 31.823 0.051 0.000 1.085 294 V HN 1.324 nan 8.190 nan 0.000 0.446 295 G N -0.489 108.352 108.800 0.068 0.000 2.640 295 G HA2 0.530 4.489 3.960 -0.002 0.000 0.686 295 G HA3 0.530 4.489 3.960 -0.002 0.000 0.686 295 G C -0.335 174.596 174.900 0.052 0.000 1.229 295 G CA -0.025 45.118 45.100 0.072 0.000 0.796 295 G HN 2.330 nan 8.290 nan 0.000 0.654 296 G N -1.297 107.523 108.800 0.034 0.000 2.649 296 G HA2 0.721 4.680 3.960 -0.002 0.000 0.290 296 G HA3 0.721 4.680 3.960 -0.002 0.000 0.290 296 G C 0.865 175.772 174.900 0.012 0.000 1.426 296 G CA 0.494 45.608 45.100 0.024 0.000 0.794 296 G HN 1.472 nan 8.290 nan 0.000 0.483 297 I N -0.428 120.147 120.570 0.008 0.000 2.142 297 I HA 0.183 4.352 4.170 -0.002 0.000 0.240 297 I C 1.485 177.600 176.117 -0.003 0.000 1.078 297 I CA 2.144 63.444 61.300 0.000 0.000 1.343 297 I CB -1.568 36.433 38.000 0.001 0.000 1.046 297 I HN 0.780 nan 8.210 nan 0.000 0.405 298 F N 2.969 122.919 119.950 0.001 0.000 2.434 298 F HA 0.664 5.190 4.527 -0.002 0.000 0.355 298 F C 0.440 176.241 175.800 0.003 0.000 1.115 298 F CA -1.911 56.089 58.000 -0.000 0.000 1.010 298 F CB -0.094 38.906 39.000 -0.000 0.000 1.234 298 F HN 0.356 nan 8.300 nan 0.000 0.439 299 K N 1.788 122.189 120.400 0.002 0.000 2.552 299 K HA 0.385 4.704 4.320 -0.002 0.000 0.276 299 K C 0.403 177.006 176.600 0.005 0.000 0.960 299 K CA 0.310 56.599 56.287 0.005 0.000 0.961 299 K CB -0.010 32.492 32.500 0.003 0.000 0.902 299 K HN 1.140 nan 8.250 nan 0.000 0.515 300 K N 2.999 123.404 120.400 0.007 0.000 2.530 300 K HA 0.049 4.368 4.320 -0.002 0.000 0.280 300 K C -1.433 175.170 176.600 0.005 0.000 1.004 300 K CA -0.346 55.945 56.287 0.007 0.000 1.071 300 K CB -1.280 31.225 32.500 0.008 0.000 0.876 300 K HN 0.727 nan 8.250 nan 0.000 0.487 312 P HA 0.359 nan 4.420 nan 0.000 0.267 312 P C 0.421 177.720 177.300 -0.001 0.000 1.209 312 P CA -0.263 62.837 63.100 -0.001 0.000 0.763 312 P CB 0.169 31.869 31.700 -0.001 0.000 0.816 313 C N 1.552 120.852 119.300 -0.001 0.000 2.877 313 C HA 0.341 4.800 4.460 -0.002 0.000 0.302 313 C C 1.280 176.269 174.990 -0.002 0.000 1.416 313 C CA 0.135 59.153 59.018 -0.001 0.000 2.113 313 C CB -0.855 26.886 27.740 0.000 0.000 2.271 313 C HN 0.801 nan 8.230 nan 0.000 0.729 314 E N -0.763 119.436 120.200 -0.002 0.000 2.197 314 E HA 0.576 4.925 4.350 -0.002 0.000 0.281 314 E C -0.143 176.455 176.600 -0.005 0.000 0.995 314 E CA -0.085 56.313 56.400 -0.004 0.000 0.808 314 E CB 0.446 30.144 29.700 -0.003 0.000 1.093 314 E HN 1.318 nan 8.360 nan 0.000 0.394 315 L N 1.615 122.833 121.223 -0.007 0.000 2.525 315 L HA 0.434 4.773 4.340 -0.002 0.000 0.278 315 L C 0.580 177.443 176.870 -0.011 0.000 1.218 315 L CA 0.079 54.913 54.840 -0.010 0.000 0.878 315 L CB 0.404 42.456 42.059 -0.013 0.000 1.127 315 L HN 0.829 nan 8.230 nan 0.000 0.492 316 D N 1.854 122.246 120.400 -0.012 0.000 2.336 316 D HA 0.166 4.805 4.640 -0.002 0.000 0.249 316 D C 1.296 177.580 176.300 -0.026 0.000 1.213 316 D CA 0.623 54.615 54.000 -0.013 0.000 0.870 316 D CB 1.529 42.325 40.800 -0.007 0.000 1.076 316 D HN 0.713 nan 8.370 nan 0.000 0.483 317 T N 2.405 116.942 114.554 -0.028 0.000 3.163 317 T HA 0.024 4.373 4.350 -0.002 0.000 0.260 317 T C 1.014 175.676 174.700 -0.063 0.000 1.156 317 T CA 0.687 62.762 62.100 -0.042 0.000 1.072 317 T CB -0.367 68.481 68.868 -0.034 0.000 0.937 317 T HN 0.497 nan 8.240 nan 0.000 0.528 318 R N 0.758 121.222 120.500 -0.060 0.000 2.582 318 R HA 0.373 4.712 4.340 -0.002 0.000 0.271 318 R C 1.003 177.202 176.300 -0.168 0.000 1.078 318 R CA 0.086 56.132 56.100 -0.091 0.000 1.127 318 R CB -0.336 29.944 30.300 -0.034 0.000 1.038 318 R HN 0.638 nan 8.270 nan 0.000 0.500 319 E N -0.154 119.846 120.200 -0.333 0.000 2.358 319 E HA 0.019 4.367 4.350 -0.002 0.000 0.195 319 E C -0.409 175.849 176.600 -0.570 0.000 1.010 319 E CA 0.642 56.732 56.400 -0.517 0.000 0.856 319 E CB 0.084 29.324 29.700 -0.767 0.000 0.795 319 E HN 0.682 nan 8.360 nan 0.000 0.504 320 Y N -0.805 119.441 120.300 -0.090 0.000 2.568 320 Y HA 0.456 5.004 4.550 -0.002 0.000 0.327 320 Y C -0.090 175.789 175.900 -0.035 0.000 1.163 320 Y CA -1.382 56.667 58.100 -0.084 0.000 1.219 320 Y CB 1.278 39.699 38.460 -0.065 0.000 1.308 320 Y HN -0.344 nan 8.280 nan 0.000 0.503 321 V N 1.300 121.325 119.914 0.185 0.000 2.567 321 V HA 0.753 4.872 4.120 -0.002 0.000 0.298 321 V C -0.591 175.562 176.094 0.100 0.000 1.047 321 V CA -1.085 61.278 62.300 0.104 0.000 0.880 321 V CB 0.675 32.538 31.823 0.066 0.000 1.009 321 V HN 1.013 nan 8.190 nan 0.000 0.429 322 A N 4.858 127.725 122.820 0.078 0.000 2.600 322 A HA 0.428 4.747 4.320 -0.002 0.000 0.244 322 A C 1.728 179.344 177.584 0.054 0.000 1.016 322 A CA 1.323 53.395 52.037 0.059 0.000 0.778 322 A CB -0.662 18.364 19.000 0.043 0.000 0.920 322 A HN 2.709 nan 8.150 nan 0.000 0.513 323 G N 1.234 110.066 108.800 0.052 0.000 2.253 323 G HA2 0.112 4.071 3.960 -0.002 0.000 0.251 323 G HA3 0.112 4.071 3.960 -0.002 0.000 0.251 323 G C 0.615 175.555 174.900 0.067 0.000 0.998 323 G CA 0.564 45.693 45.100 0.048 0.000 0.621 323 G HN 2.385 nan 8.290 nan 0.000 0.524 324 A N 2.495 125.369 122.820 0.091 0.000 2.343 324 A HA 0.687 5.005 4.320 -0.002 0.000 0.305 324 A C -1.181 176.507 177.584 0.174 0.000 1.308 324 A CA -0.681 51.425 52.037 0.115 0.000 0.949 324 A CB 0.540 19.605 19.000 0.109 0.000 1.148 324 A HN 0.330 nan 8.150 nan 0.000 0.545 325 P HA 0.464 nan 4.420 nan 0.000 0.276 325 P C -1.251 176.207 177.300 0.264 0.000 1.244 325 P CA 0.157 63.362 63.100 0.176 0.000 0.801 325 P CB 0.745 32.523 31.700 0.129 0.000 1.006 326 Y N -3.205 117.112 120.300 0.028 0.000 2.609 326 Y HA 0.559 5.108 4.550 -0.002 0.000 0.336 326 Y C -1.133 174.770 175.900 0.005 0.000 1.129 326 Y CA -1.155 56.958 58.100 0.021 0.000 1.040 326 Y CB 0.171 38.666 38.460 0.058 0.000 1.310 326 Y HN 0.134 nan 8.280 nan 0.000 0.460 327 T N 5.018 119.577 114.554 0.007 0.000 2.753 327 T HA 0.397 4.745 4.350 -0.002 0.000 0.297 327 T C -2.713 172.006 174.700 0.032 0.000 0.981 327 T CA -1.261 60.794 62.100 -0.076 0.000 0.956 327 T CB 0.754 69.603 68.868 -0.032 0.000 0.936 327 T HN 0.449 nan 8.240 nan 0.000 0.463 328 P HA 0.318 nan 4.420 nan 0.000 0.271 328 P C -0.630 176.737 177.300 0.111 0.000 1.216 328 P CA -0.322 62.842 63.100 0.107 0.000 0.771 328 P CB 0.897 32.613 31.700 0.026 0.000 0.864 329 V N 0.073 120.082 119.914 0.158 0.000 3.078 329 V HA 0.750 4.868 4.120 -0.002 0.000 0.311 329 V C -0.691 175.544 176.094 0.235 0.000 1.138 329 V CA -1.199 61.213 62.300 0.187 0.000 1.007 329 V CB 2.232 34.181 31.823 0.210 0.000 1.045 329 V HN 0.697 nan 8.190 nan 0.000 0.432 330 E N 0.902 121.245 120.200 0.238 0.000 2.288 330 E HA 0.481 4.829 4.350 -0.002 0.000 0.268 330 E C -1.069 175.605 176.600 0.124 0.000 0.885 330 E CA -0.805 55.708 56.400 0.188 0.000 0.767 330 E CB 2.155 31.908 29.700 0.089 0.000 1.220 330 E HN 0.933 nan 8.360 nan 0.000 0.427 331 H N 1.693 120.673 119.070 -0.150 0.000 2.646 331 H HA 0.332 4.886 4.556 -0.002 0.000 0.325 331 H C -1.118 173.934 175.328 -0.460 0.000 1.075 331 H CA -0.740 54.971 56.048 -0.563 0.000 1.421 331 H CB 1.549 31.009 29.762 -0.503 0.000 1.461 331 H HN 0.317 nan 8.280 nan 0.000 0.525 332 V N 6.624 126.066 119.914 -0.786 0.000 2.588 332 V HA 0.326 4.445 4.120 -0.002 0.000 0.304 332 V C -1.055 174.378 176.094 -1.101 0.000 1.042 332 V CA -0.561 61.212 62.300 -0.877 0.000 0.877 332 V CB 1.660 32.906 31.823 -0.961 0.000 0.996 332 V HN 0.511 nan 8.190 nan 0.000 0.425 333 V N 6.941 126.442 119.914 -0.689 0.000 2.539 333 V HA 0.380 4.499 4.120 -0.002 0.000 0.292 333 V C 0.103 176.053 176.094 -0.240 0.000 1.045 333 V CA -0.637 61.393 62.300 -0.450 0.000 0.945 333 V CB 1.467 33.135 31.823 -0.260 0.000 0.993 333 V HN 0.848 nan 8.190 nan 0.000 0.464 334 F N 4.818 124.677 119.950 -0.151 0.000 2.623 334 F HA 0.116 4.641 4.527 -0.002 0.000 0.383 334 F C 0.491 176.380 175.800 0.147 0.000 1.077 334 F CA 0.463 58.552 58.000 0.147 0.000 1.268 334 F CB 0.133 39.280 39.000 0.246 0.000 1.053 334 F HN 0.588 nan 8.300 nan 0.000 0.571 335 N N 8.000 126.462 118.700 -0.396 0.000 2.518 335 N HA 0.363 5.102 4.740 -0.002 0.000 0.254 335 N C -2.283 172.681 175.510 -0.909 0.000 0.979 335 N CA -2.442 50.294 53.050 -0.523 0.000 0.930 335 N CB 1.820 40.077 38.487 -0.383 0.000 1.152 335 N HN 0.208 nan 8.380 nan 0.000 0.505 336 P HA -0.012 nan 4.420 nan 0.000 0.223 336 P C 0.589 177.669 177.300 -0.367 0.000 1.144 336 P CA 0.983 63.616 63.100 -0.778 0.000 0.783 336 P CB 0.470 31.415 31.700 -1.258 0.000 0.771 337 S N -1.771 113.793 115.700 -0.227 0.000 2.528 337 S HA 0.033 4.502 4.470 -0.002 0.000 0.219 337 S C 1.014 175.525 174.600 -0.148 0.000 0.985 337 S CA 0.083 58.254 58.200 -0.048 0.000 0.914 337 S CB -0.372 62.856 63.200 0.047 0.000 0.776 337 S HN 0.097 nan 8.310 nan 0.000 0.526 338 S N 2.055 117.581 115.700 -0.290 0.000 2.439 338 S HA 0.221 4.690 4.470 -0.002 0.000 0.282 338 S C 1.241 175.738 174.600 -0.173 0.000 1.170 338 S CA -0.778 57.239 58.200 -0.305 0.000 1.054 338 S CB 0.269 63.065 63.200 -0.672 0.000 0.956 338 S HN 0.192 nan 8.310 nan 0.000 0.490 339 R N 3.432 123.878 120.500 -0.091 0.000 2.148 339 R HA -0.074 4.265 4.340 -0.002 0.000 0.227 339 R C 1.374 177.683 176.300 0.015 0.000 1.103 339 R CA 1.334 57.415 56.100 -0.032 0.000 0.983 339 R CB -0.743 29.548 30.300 -0.015 0.000 0.874 339 R HN 0.735 nan 8.270 nan 0.000 0.451 340 D N 0.054 120.469 120.400 0.025 0.000 2.117 340 D HA -0.120 4.518 4.640 -0.002 0.000 0.198 340 D C 1.765 178.188 176.300 0.205 0.000 0.982 340 D CA 1.222 55.287 54.000 0.109 0.000 0.828 340 D CB 0.023 40.902 40.800 0.132 0.000 0.967 340 D HN 0.405 nan 8.370 nan 0.000 0.464 341 H N -0.476 118.616 119.070 0.037 0.000 2.353 341 H HA -0.032 4.523 4.556 -0.002 0.000 0.300 341 H C 2.271 177.640 175.328 0.068 0.000 1.090 341 H CA 0.926 57.032 56.048 0.097 0.000 1.327 341 H CB 0.187 29.978 29.762 0.048 0.000 1.383 341 H HN 0.214 nan 8.280 nan 0.000 0.508 342 I N 0.911 121.566 120.570 0.141 0.000 2.179 342 I HA -0.295 3.874 4.170 -0.002 0.000 0.242 342 I C 2.863 178.985 176.117 0.007 0.000 1.088 342 I CA 1.125 62.462 61.300 0.062 0.000 1.357 342 I CB -0.334 37.661 38.000 -0.008 0.000 1.051 342 I HN 0.306 nan 8.210 nan 0.000 0.409 343 Q N 2.128 121.970 119.800 0.069 0.000 2.096 343 Q HA -0.283 4.056 4.340 -0.002 0.000 0.204 343 Q C 2.098 178.166 176.000 0.114 0.000 0.982 343 Q CA 1.968 57.878 55.803 0.179 0.000 0.850 343 Q CB -0.232 28.610 28.738 0.172 0.000 0.901 343 Q HN 0.482 nan 8.270 nan 0.000 0.422 344 K N -0.094 120.314 120.400 0.012 0.000 2.026 344 K HA -0.139 4.179 4.320 -0.002 0.000 0.208 344 K C 2.107 178.606 176.600 -0.169 0.000 1.048 344 K CA 1.287 57.509 56.287 -0.109 0.000 0.929 344 K CB 0.066 32.425 32.500 -0.236 0.000 0.713 344 K HN -0.007 nan 8.250 nan 0.000 0.439 345 K N 0.749 121.016 120.400 -0.221 0.000 2.148 345 K HA -0.068 4.251 4.320 -0.002 0.000 0.204 345 K C 2.126 178.621 176.600 -0.176 0.000 1.050 345 K CA 0.959 57.057 56.287 -0.316 0.000 0.942 345 K CB -0.141 31.928 32.500 -0.718 0.000 0.724 345 K HN 0.282 nan 8.250 nan 0.000 0.446 346 L N 0.628 121.803 121.223 -0.081 0.000 2.131 346 L HA -0.110 4.229 4.340 -0.002 0.000 0.206 346 L C 2.500 179.517 176.870 0.244 0.000 1.087 346 L CA 0.966 55.846 54.840 0.066 0.000 0.767 346 L CB -0.382 41.670 42.059 -0.011 0.000 0.917 346 L HN 0.215 nan 8.230 nan 0.000 0.441 347 Q N 0.280 120.236 119.800 0.260 0.000 2.119 347 Q HA -0.192 4.147 4.340 -0.002 0.000 0.201 347 Q C 1.581 177.615 176.000 0.058 0.000 0.972 347 Q CA 1.192 57.083 55.803 0.146 0.000 0.847 347 Q CB 0.020 28.767 28.738 0.014 0.000 0.903 347 Q HN 0.537 nan 8.270 nan 0.000 0.433 348 E N -0.371 119.840 120.200 0.017 0.000 2.516 348 E HA -0.054 4.295 4.350 -0.002 0.000 0.199 348 E C 0.948 177.564 176.600 0.025 0.000 1.069 348 E CA 0.372 56.767 56.400 -0.009 0.000 0.876 348 E CB 0.204 29.868 29.700 -0.059 0.000 0.843 348 E HN 0.263 nan 8.360 nan 0.000 0.530 349 A N -0.175 122.684 122.820 0.065 0.000 2.382 349 A HA 0.435 4.754 4.320 -0.002 0.000 0.228 349 A C 1.472 179.109 177.584 0.087 0.000 1.217 349 A CA 0.442 52.527 52.037 0.079 0.000 0.923 349 A CB 0.588 19.650 19.000 0.104 0.000 0.979 349 A HN 0.253 nan 8.150 nan 0.000 0.515 350 G N -2.047 106.812 108.800 0.099 0.000 2.148 350 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.157 350 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.157 350 G C -0.319 174.672 174.900 0.152 0.000 1.012 350 G CA -0.110 45.045 45.100 0.091 0.000 0.677 350 G HN 0.833 nan 8.290 nan 0.000 0.506 351 W N 1.151 122.443 121.300 -0.014 0.000 2.322 351 W HA 0.669 5.328 4.660 -0.002 0.000 0.307 351 W C -0.001 176.509 176.519 -0.015 0.000 1.220 351 W CA -0.777 56.558 57.345 -0.016 0.000 1.210 351 W CB 0.818 30.262 29.460 -0.027 0.000 1.223 351 W HN 0.753 nan 8.180 nan 0.000 0.511 352 V N 8.326 127.992 119.914 -0.412 0.000 2.304 352 V HA 0.372 4.490 4.120 -0.002 0.000 0.269 352 V C -2.082 173.533 176.094 -0.798 0.000 1.036 352 V CA -2.339 59.659 62.300 -0.502 0.000 0.840 352 V CB 0.249 31.964 31.823 -0.179 0.000 1.036 352 V HN 0.414 nan 8.190 nan 0.000 0.466 353 P HA 0.160 nan 4.420 nan 0.000 0.260 353 P C 0.857 177.985 177.300 -0.286 0.000 1.185 353 P CA 0.471 62.987 63.100 -0.974 0.000 0.763 353 P CB 0.793 31.827 31.700 -1.110 0.000 0.776 354 T N 2.180 116.671 114.554 -0.104 0.000 3.033 354 T HA 0.020 4.369 4.350 -0.002 0.000 0.248 354 T C 0.550 175.322 174.700 0.120 0.000 1.040 354 T CA 0.698 62.827 62.100 0.050 0.000 1.133 354 T CB 0.062 68.977 68.868 0.078 0.000 0.895 354 T HN 0.444 nan 8.240 nan 0.000 0.465 355 K N 0.574 121.012 120.400 0.063 0.000 2.345 355 K HA 0.583 4.902 4.320 -0.002 0.000 0.255 355 K C -1.765 174.851 176.600 0.027 0.000 0.934 355 K CA -0.836 55.522 56.287 0.117 0.000 0.801 355 K CB 1.678 34.230 32.500 0.087 0.000 1.137 355 K HN 0.001 nan 8.250 nan 0.000 0.424 356 Y N 0.354 120.665 120.300 0.017 0.000 2.631 356 Y HA 0.342 4.890 4.550 -0.002 0.000 0.328 356 Y C 0.968 176.883 175.900 0.024 0.000 1.118 356 Y CA -0.733 57.377 58.100 0.016 0.000 1.206 356 Y CB 1.698 40.153 38.460 -0.008 0.000 1.337 356 Y HN 0.803 nan 8.280 nan 0.000 0.515 357 T N -3.884 110.785 114.554 0.192 0.000 2.884 357 T HA 0.395 4.744 4.350 -0.002 0.000 0.277 357 T C 0.838 175.599 174.700 0.101 0.000 0.976 357 T CA 0.072 62.240 62.100 0.114 0.000 0.956 357 T CB 0.549 69.466 68.868 0.082 0.000 1.113 357 T HN 0.705 nan 8.240 nan 0.000 0.554 358 D N -0.470 119.970 120.400 0.067 0.000 2.123 358 D HA -0.025 4.614 4.640 -0.002 0.000 0.200 358 D C 1.720 178.046 176.300 0.044 0.000 0.976 358 D CA 1.084 55.113 54.000 0.049 0.000 0.831 358 D CB -0.512 40.311 40.800 0.039 0.000 0.974 358 D HN 0.703 nan 8.370 nan 0.000 0.469 359 K N -0.051 120.377 120.400 0.047 0.000 2.611 359 K HA 0.252 4.571 4.320 -0.002 0.000 0.193 359 K C 0.627 177.257 176.600 0.051 0.000 1.026 359 K CA 0.560 56.872 56.287 0.042 0.000 1.063 359 K CB -0.831 31.692 32.500 0.039 0.000 0.839 359 K HN 0.473 nan 8.250 nan 0.000 0.505 360 G N 0.380 109.220 108.800 0.066 0.000 2.686 360 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.211 360 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.211 360 G C -0.477 174.499 174.900 0.127 0.000 0.829 360 G CA 0.010 45.159 45.100 0.082 0.000 0.993 360 G HN 0.593 nan 8.290 nan 0.000 0.330 361 A N 4.054 127.006 122.820 0.221 0.000 2.594 361 A HA 0.749 5.068 4.320 -0.002 0.000 0.301 361 A C -3.054 174.604 177.584 0.123 0.000 1.022 361 A CA -0.636 51.511 52.037 0.184 0.000 0.738 361 A CB 1.055 20.113 19.000 0.097 0.000 1.263 361 A HN 0.605 nan 8.150 nan 0.000 0.409 362 P HA 0.255 nan 4.420 nan 0.000 0.264 362 P C -0.256 176.994 177.300 -0.084 0.000 1.193 362 P CA 0.102 63.000 63.100 -0.337 0.000 0.763 362 P CB 0.616 32.180 31.700 -0.226 0.000 0.810 363 V N 5.242 125.104 119.914 -0.086 0.000 2.455 363 V HA 0.093 4.211 4.120 -0.002 0.000 0.273 363 V C 1.067 177.208 176.094 0.079 0.000 1.045 363 V CA 0.145 62.457 62.300 0.020 0.000 0.976 363 V CB 0.885 32.724 31.823 0.026 0.000 0.993 363 V HN 0.445 nan 8.190 nan 0.000 0.475 364 V N 1.073 121.013 119.914 0.044 0.000 2.727 364 V HA 0.387 4.505 4.120 -0.002 0.000 0.336 364 V C 0.055 176.133 176.094 -0.027 0.000 1.228 364 V CA -0.821 61.478 62.300 -0.002 0.000 1.270 364 V CB -0.027 31.788 31.823 -0.012 0.000 1.486 364 V HN 0.814 nan 8.190 nan 0.000 0.638 365 D N -0.680 119.714 120.400 -0.011 0.000 2.414 365 D HA 0.109 4.748 4.640 -0.002 0.000 0.251 365 D C 1.005 177.289 176.300 -0.027 0.000 1.252 365 D CA -0.043 53.950 54.000 -0.012 0.000 0.999 365 D CB 0.718 41.519 40.800 0.001 0.000 1.093 365 D HN 0.189 nan 8.370 nan 0.000 0.515 366 D N -1.130 119.259 120.400 -0.018 0.000 2.182 366 D HA -0.181 4.458 4.640 -0.002 0.000 0.201 366 D C 1.486 177.772 176.300 -0.023 0.000 0.986 366 D CA 1.283 55.270 54.000 -0.020 0.000 0.847 366 D CB 0.156 40.952 40.800 -0.007 0.000 0.942 366 D HN 0.499 nan 8.370 nan 0.000 0.467 367 E N -0.278 119.915 120.200 -0.012 0.000 2.023 367 E HA -0.203 4.146 4.350 -0.002 0.000 0.196 367 E C 2.471 179.063 176.600 -0.013 0.000 1.003 367 E CA 1.853 58.251 56.400 -0.004 0.000 0.809 367 E CB -0.271 29.436 29.700 0.011 0.000 0.755 367 E HN 0.395 nan 8.360 nan 0.000 0.449 368 V N -0.042 119.863 119.914 -0.015 0.000 2.343 368 V HA -0.236 3.883 4.120 -0.002 0.000 0.247 368 V C 2.291 178.312 176.094 -0.123 0.000 1.051 368 V CA 1.533 63.819 62.300 -0.023 0.000 1.036 368 V CB -0.934 30.901 31.823 0.021 0.000 0.654 368 V HN 0.196 nan 8.190 nan 0.000 0.451 369 L N 0.232 121.361 121.223 -0.158 0.000 2.261 369 L HA -0.158 4.180 4.340 -0.002 0.000 0.216 369 L C 2.755 179.541 176.870 -0.141 0.000 1.114 369 L CA 2.024 56.738 54.840 -0.209 0.000 0.777 369 L CB -0.630 41.342 42.059 -0.147 0.000 0.910 369 L HN 0.473 nan 8.230 nan 0.000 0.440 370 E N 0.553 120.704 120.200 -0.081 0.000 2.216 370 E HA -0.087 4.262 4.350 -0.002 0.000 0.192 370 E C 2.009 178.585 176.600 -0.040 0.000 0.988 370 E CA 1.184 57.555 56.400 -0.047 0.000 0.834 370 E CB -0.095 29.591 29.700 -0.022 0.000 0.772 370 E HN 0.265 nan 8.360 nan 0.000 0.479 371 G N -0.143 108.635 108.800 -0.037 0.000 2.838 371 G HA2 0.053 4.011 3.960 -0.002 0.000 0.210 371 G HA3 0.053 4.011 3.960 -0.002 0.000 0.210 371 G C 0.220 175.114 174.900 -0.011 0.000 1.153 371 G CA 0.066 45.164 45.100 -0.004 0.000 0.778 371 G HN 0.105 nan 8.290 nan 0.000 0.539 372 V N 1.956 121.806 119.914 -0.106 0.000 2.599 372 V HA 0.269 4.388 4.120 -0.002 0.000 0.300 372 V C -0.015 176.037 176.094 -0.070 0.000 1.034 372 V CA 0.104 62.296 62.300 -0.181 0.000 1.115 372 V CB 0.758 32.253 31.823 -0.547 0.000 0.934 372 V HN 0.207 nan 8.190 nan 0.000 0.485 373 R N 3.573 124.085 120.500 0.021 0.000 2.532 373 R HA 0.680 5.019 4.340 -0.002 0.000 0.297 373 R C -1.065 175.278 176.300 0.072 0.000 0.984 373 R CA -0.499 55.623 56.100 0.038 0.000 0.884 373 R CB 1.930 32.260 30.300 0.051 0.000 1.182 373 R HN 0.616 nan 8.270 nan 0.000 0.442 374 V N -1.249 118.695 119.914 0.050 0.000 2.962 374 V HA 0.465 4.583 4.120 -0.002 0.000 0.313 374 V C 0.537 176.656 176.094 0.043 0.000 1.099 374 V CA -0.836 61.502 62.300 0.064 0.000 0.971 374 V CB 2.503 34.367 31.823 0.069 0.000 1.028 374 V HN 0.491 nan 8.190 nan 0.000 0.430 375 D N 0.528 120.953 120.400 0.042 0.000 2.084 375 D HA -0.107 4.531 4.640 -0.002 0.000 0.194 375 D C 0.821 177.132 176.300 0.018 0.000 0.990 375 D CA 1.810 55.827 54.000 0.027 0.000 0.826 375 D CB -0.052 40.763 40.800 0.025 0.000 0.971 375 D HN 0.890 nan 8.370 nan 0.000 0.453 376 D N 1.582 121.994 120.400 0.019 0.000 2.451 376 D HA -0.056 4.583 4.640 -0.002 0.000 0.254 376 D C -1.343 174.957 176.300 -0.001 0.000 1.204 376 D CA -1.098 52.905 54.000 0.005 0.000 0.896 376 D CB 1.652 42.455 40.800 0.005 0.000 1.136 376 D HN 0.029 nan 8.370 nan 0.000 0.499 377 P HA -0.169 nan 4.420 nan 0.000 0.217 377 P C 1.201 178.486 177.300 -0.026 0.000 1.150 377 P CA 1.014 64.106 63.100 -0.013 0.000 0.832 377 P CB 0.325 32.017 31.700 -0.013 0.000 0.787 378 E N 0.811 120.984 120.200 -0.046 0.000 2.106 378 E HA -0.168 4.181 4.350 -0.002 0.000 0.192 378 E C 1.964 178.506 176.600 -0.097 0.000 0.984 378 E CA 1.124 57.477 56.400 -0.078 0.000 0.806 378 E CB -0.169 29.466 29.700 -0.108 0.000 0.750 378 E HN 0.159 nan 8.360 nan 0.000 0.458 379 K N -0.038 120.319 120.400 -0.072 0.000 2.217 379 K HA -0.156 4.162 4.320 -0.002 0.000 0.202 379 K C 2.226 178.853 176.600 0.045 0.000 1.051 379 K CA 1.105 57.385 56.287 -0.012 0.000 0.952 379 K CB -0.013 32.533 32.500 0.077 0.000 0.736 379 K HN 0.035 nan 8.250 nan 0.000 0.453 380 Q N 1.035 120.843 119.800 0.014 0.000 2.123 380 Q HA -0.037 4.302 4.340 -0.002 0.000 0.199 380 Q C 1.779 177.782 176.000 0.005 0.000 0.966 380 Q CA 1.691 57.500 55.803 0.010 0.000 0.845 380 Q CB -0.112 28.628 28.738 0.004 0.000 0.907 380 Q HN 0.274 nan 8.270 nan 0.000 0.439 381 A N -0.095 122.722 122.820 -0.005 0.000 2.016 381 A HA 0.178 4.497 4.320 -0.002 0.000 0.217 381 A C 2.186 179.774 177.584 0.007 0.000 1.162 381 A CA 1.190 53.225 52.037 -0.005 0.000 0.662 381 A CB -0.789 18.201 19.000 -0.016 0.000 0.812 381 A HN 0.464 nan 8.150 nan 0.000 0.450 382 A N 0.145 122.969 122.820 0.006 0.000 2.070 382 A HA -0.034 4.285 4.320 -0.002 0.000 0.220 382 A C 1.971 179.624 177.584 0.115 0.000 1.159 382 A CA 1.243 53.305 52.037 0.041 0.000 0.656 382 A CB -0.599 18.390 19.000 -0.017 0.000 0.800 382 A HN 0.513 nan 8.150 nan 0.000 0.453 383 I N -0.110 120.509 120.570 0.083 0.000 2.286 383 I HA -0.239 3.930 4.170 -0.002 0.000 0.248 383 I C 1.641 177.785 176.117 0.044 0.000 1.115 383 I CA 1.422 62.751 61.300 0.048 0.000 1.392 383 I CB -0.419 37.569 38.000 -0.019 0.000 1.065 383 I HN 0.249 nan 8.210 nan 0.000 0.418 384 D N 0.780 121.203 120.400 0.038 0.000 2.178 384 D HA -0.088 4.551 4.640 -0.002 0.000 0.202 384 D C 2.362 178.704 176.300 0.070 0.000 0.974 384 D CA 1.074 55.099 54.000 0.040 0.000 0.841 384 D CB -0.065 40.752 40.800 0.028 0.000 0.953 384 D HN 0.338 nan 8.370 nan 0.000 0.478 385 L N 0.281 121.556 121.223 0.086 0.000 2.093 385 L HA -0.062 4.276 4.340 -0.002 0.000 0.208 385 L C 2.454 179.425 176.870 0.169 0.000 1.085 385 L CA 0.568 55.480 54.840 0.119 0.000 0.755 385 L CB -0.233 41.891 42.059 0.108 0.000 0.904 385 L HN -0.009 nan 8.230 nan 0.000 0.435 386 I N -0.121 120.545 120.570 0.159 0.000 2.252 386 I HA -0.258 3.911 4.170 -0.002 0.000 0.245 386 I C 2.552 178.759 176.117 0.150 0.000 1.102 386 I CA 1.274 62.674 61.300 0.167 0.000 1.385 386 I CB -0.206 37.882 38.000 0.147 0.000 1.064 386 I HN 0.172 nan 8.210 nan 0.000 0.414 387 K N 0.544 121.002 120.400 0.098 0.000 2.032 387 K HA -0.268 4.051 4.320 -0.002 0.000 0.209 387 K C 2.078 178.737 176.600 0.099 0.000 1.048 387 K CA 1.824 58.155 56.287 0.073 0.000 0.927 387 K CB -0.227 32.297 32.500 0.040 0.000 0.712 387 K HN 0.334 nan 8.250 nan 0.000 0.441 388 E N 0.082 120.351 120.200 0.115 0.000 2.150 388 E HA -0.228 4.121 4.350 -0.002 0.000 0.193 388 E C 1.895 178.579 176.600 0.140 0.000 0.985 388 E CA 0.917 57.389 56.400 0.120 0.000 0.814 388 E CB -0.095 29.676 29.700 0.118 0.000 0.752 388 E HN 0.338 nan 8.360 nan 0.000 0.466 389 Y N 0.979 121.311 120.300 0.052 0.000 2.200 389 Y HA -0.144 4.405 4.550 -0.002 0.000 0.290 389 Y C 1.895 177.804 175.900 0.014 0.000 1.137 389 Y CA 1.545 59.669 58.100 0.039 0.000 1.163 389 Y CB -0.060 38.433 38.460 0.055 0.000 0.988 389 Y HN 0.028 nan 8.280 nan 0.000 0.518 390 L N -0.484 120.869 121.223 0.218 0.000 2.093 390 L HA -0.246 4.093 4.340 -0.002 0.000 0.208 390 L C 2.658 179.534 176.870 0.010 0.000 1.085 390 L CA 1.340 56.245 54.840 0.108 0.000 0.755 390 L CB -0.555 41.558 42.059 0.090 0.000 0.904 390 L HN 0.355 nan 8.230 nan 0.000 0.435 391 M N 0.224 119.837 119.600 0.021 0.000 2.099 391 M HA -0.179 4.300 4.480 -0.002 0.000 0.262 391 M C 2.278 178.558 176.300 -0.034 0.000 1.067 391 M CA 1.956 57.262 55.300 0.011 0.000 1.124 391 M CB -0.387 32.246 32.600 0.055 0.000 1.353 391 M HN 0.169 nan 8.290 nan 0.000 0.410 392 I N 0.372 120.902 120.570 -0.067 0.000 2.286 392 I HA -0.304 3.865 4.170 -0.002 0.000 0.248 392 I C 2.439 178.418 176.117 -0.230 0.000 1.115 392 I CA 1.210 62.410 61.300 -0.167 0.000 1.392 392 I CB -0.379 37.508 38.000 -0.188 0.000 1.065 392 I HN 0.388 nan 8.210 nan 0.000 0.418 393 Q N 1.263 120.908 119.800 -0.257 0.000 2.119 393 Q HA -0.242 4.096 4.340 -0.002 0.000 0.201 393 Q C 2.023 177.925 176.000 -0.164 0.000 0.972 393 Q CA 1.687 57.344 55.803 -0.242 0.000 0.847 393 Q CB -0.049 28.562 28.738 -0.211 0.000 0.903 393 Q HN 0.127 nan 8.270 nan 0.000 0.433 394 K N -0.302 120.021 120.400 -0.128 0.000 2.026 394 K HA -0.070 4.249 4.320 -0.002 0.000 0.208 394 K C 1.918 178.421 176.600 -0.160 0.000 1.048 394 K CA 1.289 57.507 56.287 -0.116 0.000 0.929 394 K CB 0.013 32.469 32.500 -0.074 0.000 0.713 394 K HN 0.073 nan 8.250 nan 0.000 0.439 395 R N 0.187 120.589 120.500 -0.164 0.000 2.092 395 R HA -0.017 4.322 4.340 -0.002 0.000 0.231 395 R C 2.353 178.490 176.300 -0.270 0.000 1.119 395 R CA 1.276 57.252 56.100 -0.206 0.000 0.970 395 R CB -0.573 29.606 30.300 -0.201 0.000 0.864 395 R HN 0.344 nan 8.270 nan 0.000 0.440 396 I N -0.206 120.227 120.570 -0.229 0.000 2.286 396 I HA -0.130 4.039 4.170 -0.002 0.000 0.245 396 I C 2.454 178.408 176.117 -0.271 0.000 1.104 396 I CA 1.366 62.541 61.300 -0.209 0.000 1.397 396 I CB -0.671 37.264 38.000 -0.109 0.000 1.072 396 I HN 0.214 nan 8.210 nan 0.000 0.417 397 G N 0.105 108.766 108.800 -0.232 0.000 2.418 397 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.217 397 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.217 397 G C 1.562 176.280 174.900 -0.303 0.000 1.158 397 G CA 0.775 45.742 45.100 -0.222 0.000 0.771 397 G HN 0.405 nan 8.290 nan 0.000 0.545 398 Q N 0.744 120.311 119.800 -0.388 0.000 2.079 398 Q HA -0.107 4.232 4.340 -0.002 0.000 0.200 398 Q C 2.631 177.997 176.000 -1.057 0.000 0.974 398 Q CA 2.148 57.592 55.803 -0.600 0.000 0.840 398 Q CB -0.143 28.255 28.738 -0.568 0.000 0.898 398 Q HN 0.578 nan 8.270 nan 0.000 0.430 399 S N -1.668 113.463 115.700 -0.948 0.000 2.470 399 S HA 0.291 4.760 4.470 -0.002 0.000 0.222 399 S C 1.423 175.805 174.600 -0.363 0.000 1.024 399 S CA 0.288 58.001 58.200 -0.811 0.000 0.931 399 S CB 0.788 63.732 63.200 -0.427 0.000 0.791 399 S HN 0.427 nan 8.310 nan 0.000 0.513 400 A N 1.030 123.578 122.820 -0.453 0.000 1.817 400 A HA 0.433 4.752 4.320 -0.002 0.000 0.204 400 A C 1.658 178.978 177.584 -0.440 0.000 1.741 400 A CA 0.182 51.896 52.037 -0.538 0.000 1.196 400 A CB 0.058 18.334 19.000 -1.206 0.000 1.211 400 A HN 0.352 nan 8.150 nan 0.000 0.450 401 E N 0.511 120.490 120.200 -0.369 0.000 2.364 401 E HA 0.178 4.527 4.350 -0.002 0.000 0.196 401 E C 1.200 177.709 176.600 -0.151 0.000 0.990 401 E CA 0.154 56.424 56.400 -0.216 0.000 0.886 401 E CB 0.148 29.762 29.700 -0.143 0.000 0.866 401 E HN 0.482 nan 8.360 nan 0.000 0.493 402 G N 1.368 110.070 108.800 -0.164 0.000 2.690 402 G HA2 -0.122 3.837 3.960 -0.002 0.000 0.239 402 G HA3 -0.122 3.837 3.960 -0.002 0.000 0.239 402 G C 0.099 174.952 174.900 -0.078 0.000 1.233 402 G CA -0.282 44.752 45.100 -0.110 0.000 0.847 402 G HN -0.073 nan 8.290 nan 0.000 0.588 403 D N -0.230 120.148 120.400 -0.036 0.000 2.218 403 D HA -0.043 4.595 4.640 -0.002 0.000 0.204 403 D C 1.705 178.010 176.300 0.009 0.000 0.976 403 D CA 1.008 54.996 54.000 -0.020 0.000 0.853 403 D CB 0.268 41.077 40.800 0.014 0.000 0.939 403 D HN 0.265 nan 8.370 nan 0.000 0.481 404 K N 0.413 120.866 120.400 0.089 0.000 2.576 404 K HA 0.377 4.696 4.320 -0.002 0.000 0.209 404 K C 0.079 176.823 176.600 0.241 0.000 1.049 404 K CA -0.302 56.169 56.287 0.307 0.000 1.140 404 K CB 0.778 33.472 32.500 0.324 0.000 0.871 404 K HN -0.047 nan 8.250 nan 0.000 0.479 405 A N 0.670 123.507 122.820 0.028 0.000 2.520 405 A HA 0.011 4.330 4.320 -0.002 0.000 0.235 405 A C 0.768 178.418 177.584 0.110 0.000 1.065 405 A CA -0.164 51.823 52.037 -0.084 0.000 0.764 405 A CB 0.054 18.950 19.000 -0.172 0.000 1.002 405 A HN 0.321 nan 8.150 nan 0.000 0.502 406 W N 1.201 122.520 121.300 0.031 0.000 2.338 406 W HA -0.140 4.518 4.660 -0.002 0.000 0.304 406 W C 1.736 178.151 176.519 -0.172 0.000 1.212 406 W CA 0.868 58.155 57.345 -0.097 0.000 1.264 406 W CB -1.248 28.124 29.460 -0.147 0.000 1.142 406 W HN 0.635 nan 8.180 nan 0.000 0.512 407 L N 0.059 121.378 121.223 0.161 0.000 2.450 407 L HA -0.121 4.217 4.340 -0.002 0.000 0.224 407 L C 2.376 179.257 176.870 0.020 0.000 1.149 407 L CA 1.043 55.947 54.840 0.107 0.000 0.816 407 L CB -0.549 41.547 42.059 0.062 0.000 0.932 407 L HN -0.046 nan 8.230 nan 0.000 0.449 408 R N -2.026 118.459 120.500 -0.026 0.000 2.254 408 R HA -0.007 4.332 4.340 -0.002 0.000 0.195 408 R C 1.406 177.590 176.300 -0.194 0.000 0.957 408 R CA 0.473 56.493 56.100 -0.133 0.000 1.024 408 R CB 0.191 30.357 30.300 -0.223 0.000 0.952 408 R HN 0.240 nan 8.270 nan 0.000 0.484 409 Y N 0.306 120.610 120.300 0.006 0.000 2.478 409 Y HA 0.102 4.651 4.550 -0.002 0.000 0.261 409 Y C 0.563 176.461 175.900 -0.005 0.000 1.127 409 Y CA -0.488 57.624 58.100 0.020 0.000 1.288 409 Y CB 0.670 39.166 38.460 0.061 0.000 1.084 409 Y HN -0.293 nan 8.280 nan 0.000 0.530 410 V N 1.631 121.583 119.914 0.064 0.000 2.509 410 V HA 0.149 4.268 4.120 -0.002 0.000 0.297 410 V C 0.769 176.927 176.094 0.107 0.000 1.014 410 V CA -0.463 61.863 62.300 0.044 0.000 1.127 410 V CB -0.741 31.130 31.823 0.081 0.000 0.925 410 V HN 0.247 nan 8.190 nan 0.000 0.480 411 A N 3.738 126.654 122.820 0.160 0.000 2.250 411 A HA 0.357 4.675 4.320 -0.002 0.000 0.283 411 A C 1.303 178.943 177.584 0.093 0.000 1.206 411 A CA -0.137 51.985 52.037 0.142 0.000 0.840 411 A CB 0.164 19.289 19.000 0.207 0.000 1.220 411 A HN 0.881 nan 8.150 nan 0.000 0.505 412 E N -0.599 119.636 120.200 0.058 0.000 2.153 412 E HA -0.203 4.146 4.350 -0.002 0.000 0.194 412 E C 0.475 177.093 176.600 0.029 0.000 0.988 412 E CA 1.367 57.786 56.400 0.032 0.000 0.811 412 E CB -0.078 29.628 29.700 0.010 0.000 0.746 412 E HN 0.748 nan 8.360 nan 0.000 0.466 413 D N -1.178 119.254 120.400 0.052 0.000 2.324 413 D HA 0.028 4.666 4.640 -0.002 0.000 0.235 413 D C 1.043 177.344 176.300 0.002 0.000 1.095 413 D CA 0.701 54.715 54.000 0.023 0.000 0.871 413 D CB -0.094 40.733 40.800 0.044 0.000 0.906 413 D HN 0.209 nan 8.370 nan 0.000 0.522 414 G N -0.138 108.683 108.800 0.034 0.000 2.160 414 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.251 414 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.251 414 G C -0.007 174.921 174.900 0.048 0.000 1.008 414 G CA 0.422 45.542 45.100 0.033 0.000 0.724 414 G HN 0.526 nan 8.290 nan 0.000 0.514 415 K N -0.977 119.454 120.400 0.052 0.000 2.443 415 K HA 0.758 5.077 4.320 -0.002 0.000 0.251 415 K C -0.223 176.350 176.600 -0.046 0.000 0.972 415 K CA -1.045 55.232 56.287 -0.015 0.000 0.833 415 K CB 2.102 34.504 32.500 -0.163 0.000 1.317 415 K HN 0.101 nan 8.250 nan 0.000 0.441 416 I N 2.522 123.042 120.570 -0.084 0.000 2.336 416 I HA 0.180 4.349 4.170 -0.002 0.000 0.292 416 I C -0.188 175.871 176.117 -0.097 0.000 0.991 416 I CA -0.588 60.690 61.300 -0.038 0.000 1.227 416 I CB 0.843 38.795 38.000 -0.080 0.000 1.366 416 I HN 0.462 nan 8.210 nan 0.000 0.466 417 H N 5.920 125.059 119.070 0.115 0.000 2.482 417 H HA 0.227 4.782 4.556 -0.002 0.000 0.231 417 H C 0.534 175.901 175.328 0.066 0.000 1.612 417 H CA -0.372 55.742 56.048 0.110 0.000 1.279 417 H CB 0.595 30.414 29.762 0.094 0.000 1.562 417 H HN 0.767 nan 8.280 nan 0.000 0.553 418 G N 1.134 110.009 108.800 0.125 0.000 2.491 418 G HA2 0.068 4.026 3.960 -0.002 0.000 0.242 418 G HA3 0.068 4.026 3.960 -0.002 0.000 0.242 418 G C 0.306 175.276 174.900 0.116 0.000 1.266 418 G CA -0.310 44.834 45.100 0.074 0.000 0.844 418 G HN 0.421 nan 8.290 nan 0.000 0.571 419 S N -0.429 115.340 115.700 0.115 0.000 2.610 419 S HA 0.548 5.016 4.470 -0.002 0.000 0.273 419 S C -0.231 174.396 174.600 0.045 0.000 1.274 419 S CA -0.560 57.717 58.200 0.128 0.000 1.023 419 S CB 1.054 64.410 63.200 0.259 0.000 0.962 419 S HN 0.517 nan 8.310 nan 0.000 0.523 420 V N 4.836 124.757 119.914 0.012 0.000 2.623 420 V HA 0.399 4.517 4.120 -0.002 0.000 0.304 420 V C -0.520 175.543 176.094 -0.051 0.000 1.054 420 V CA -1.045 61.188 62.300 -0.111 0.000 0.882 420 V CB 1.911 33.672 31.823 -0.105 0.000 1.002 420 V HN 0.912 nan 8.190 nan 0.000 0.424 421 N N 6.460 125.111 118.700 -0.081 0.000 2.500 421 N HA 0.342 5.081 4.740 -0.002 0.000 0.236 421 N C -1.882 173.626 175.510 -0.004 0.000 1.022 421 N CA -2.087 50.955 53.050 -0.013 0.000 0.935 421 N CB 2.140 40.627 38.487 -0.001 0.000 1.147 421 N HN 0.223 nan 8.380 nan 0.000 0.512 422 P HA -0.084 nan 4.420 nan 0.000 0.218 422 P C -0.153 177.241 177.300 0.157 0.000 1.146 422 P CA 1.310 64.506 63.100 0.160 0.000 0.813 422 P CB 0.295 32.089 31.700 0.157 0.000 0.778 423 N N -1.856 116.901 118.700 0.095 0.000 2.642 423 N HA 0.234 4.973 4.740 -0.002 0.000 0.308 423 N C 1.050 176.601 175.510 0.068 0.000 1.914 423 N CA -0.135 52.972 53.050 0.094 0.000 0.893 423 N CB -0.410 38.128 38.487 0.085 0.000 1.322 423 N HN -0.169 nan 8.380 nan 0.000 0.490 424 G N -0.861 107.970 108.800 0.052 0.000 2.650 424 G HA2 0.259 4.218 3.960 -0.002 0.000 0.214 424 G HA3 0.259 4.218 3.960 -0.002 0.000 0.214 424 G C 0.394 175.327 174.900 0.055 0.000 1.136 424 G CA 0.396 45.522 45.100 0.044 0.000 0.789 424 G HN 0.458 nan 8.290 nan 0.000 0.536 425 A N -0.790 122.069 122.820 0.066 0.000 2.355 425 A HA 0.623 4.942 4.320 -0.002 0.000 0.324 425 A C 1.020 178.652 177.584 0.081 0.000 1.117 425 A CA -0.407 51.675 52.037 0.074 0.000 0.785 425 A CB 1.834 20.884 19.000 0.083 0.000 1.254 425 A HN 0.313 nan 8.150 nan 0.000 0.453 426 V N 2.030 121.995 119.914 0.084 0.000 2.688 426 V HA -0.171 3.948 4.120 -0.002 0.000 0.256 426 V C 2.276 178.428 176.094 0.096 0.000 1.084 426 V CA 3.141 65.496 62.300 0.092 0.000 1.103 426 V CB -0.769 31.122 31.823 0.114 0.000 0.688 426 V HN 1.121 nan 8.190 nan 0.000 0.480 427 T N -2.872 111.737 114.554 0.092 0.000 3.085 427 T HA 0.226 4.575 4.350 -0.002 0.000 0.263 427 T C 1.553 176.317 174.700 0.105 0.000 1.127 427 T CA 1.004 63.160 62.100 0.093 0.000 1.103 427 T CB 0.294 69.213 68.868 0.085 0.000 0.921 427 T HN 1.230 nan 8.240 nan 0.000 0.510 428 G N 0.793 109.658 108.800 0.110 0.000 2.184 428 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.206 428 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.206 428 G C 0.121 175.113 174.900 0.152 0.000 0.995 428 G CA -0.332 44.850 45.100 0.138 0.000 0.651 428 G HN 0.670 nan 8.290 nan 0.000 0.511 429 R N 1.070 121.628 120.500 0.098 0.000 2.594 429 R HA 0.698 5.037 4.340 -0.002 0.000 0.272 429 R C 0.871 177.195 176.300 0.040 0.000 1.074 429 R CA 0.950 57.071 56.100 0.036 0.000 1.105 429 R CB 0.616 30.921 30.300 0.009 0.000 1.008 429 R HN 0.671 nan 8.270 nan 0.000 0.472 430 A N 1.404 124.186 122.820 -0.064 0.000 2.264 430 A HA 0.572 4.891 4.320 -0.002 0.000 0.304 430 A C -0.487 177.061 177.584 -0.059 0.000 1.100 430 A CA -0.294 51.687 52.037 -0.092 0.000 0.839 430 A CB 0.735 19.574 19.000 -0.268 0.000 1.121 430 A HN 0.796 nan 8.150 nan 0.000 0.496 431 T N -1.393 113.103 114.554 -0.098 0.000 2.924 431 T HA 0.730 5.079 4.350 -0.002 0.000 0.291 431 T C -0.888 173.713 174.700 -0.165 0.000 1.045 431 T CA -0.613 61.485 62.100 -0.004 0.000 1.015 431 T CB 1.180 70.048 68.868 -0.001 0.000 1.103 431 T HN 0.653 nan 8.240 nan 0.000 0.496 432 H N -0.396 118.629 119.070 -0.074 0.000 2.637 432 H HA 0.870 5.425 4.556 -0.002 0.000 0.363 432 H C -0.232 174.999 175.328 -0.163 0.000 1.131 432 H CA -0.332 55.667 56.048 -0.080 0.000 1.183 432 H CB 1.907 31.637 29.762 -0.053 0.000 1.637 432 H HN 1.156 nan 8.280 nan 0.000 0.531 433 A N 0.963 123.711 122.820 -0.120 0.000 2.601 433 A HA 0.547 4.865 4.320 -0.002 0.000 0.291 433 A C -1.520 175.851 177.584 -0.355 0.000 1.075 433 A CA -0.925 50.855 52.037 -0.427 0.000 0.671 433 A CB 0.429 18.881 19.000 -0.913 0.000 1.277 433 A HN 0.617 nan 8.150 nan 0.000 0.417 434 F N -2.019 117.875 119.950 -0.094 0.000 2.985 434 F HA -0.130 4.395 4.527 -0.002 0.000 0.303 434 F C -2.184 173.102 175.800 -0.858 0.000 0.976 434 F CA 0.689 58.486 58.000 -0.338 0.000 1.013 434 F CB -2.294 36.617 39.000 -0.148 0.000 1.060 434 F HN 0.432 nan 8.300 nan 0.000 0.780 435 P HA 0.187 nan 4.420 nan 0.000 0.284 435 P C -0.182 177.093 177.300 -0.042 0.000 1.287 435 P CA -0.528 62.498 63.100 -0.124 0.000 0.824 435 P CB 1.029 32.802 31.700 0.122 0.000 1.180 436 N N 0.997 119.692 118.700 -0.008 0.000 2.448 436 N HA 0.067 4.806 4.740 -0.002 0.000 0.250 436 N C 0.790 176.309 175.510 0.015 0.000 1.136 436 N CA 0.036 53.084 53.050 -0.004 0.000 0.953 436 N CB -0.765 37.698 38.487 -0.040 0.000 1.251 436 N HN 0.296 nan 8.380 nan 0.000 0.502 437 L N 1.690 122.927 121.223 0.024 0.000 2.650 437 L HA 0.069 4.407 4.340 -0.002 0.000 0.235 437 L C 1.485 178.282 176.870 -0.122 0.000 1.149 437 L CA 0.226 55.043 54.840 -0.038 0.000 0.887 437 L CB -0.194 41.916 42.059 0.085 0.000 1.021 437 L HN 0.483 nan 8.230 nan 0.000 0.441 438 A N -0.017 122.654 122.820 -0.248 0.000 2.387 438 A HA 0.071 4.390 4.320 -0.002 0.000 0.234 438 A C 1.408 178.836 177.584 -0.260 0.000 1.253 438 A CA -0.177 51.644 52.037 -0.361 0.000 0.894 438 A CB 0.009 18.622 19.000 -0.645 0.000 0.963 438 A HN 0.553 nan 8.150 nan 0.000 0.508 439 Q N -0.269 119.418 119.800 -0.189 0.000 2.110 439 Q HA 0.418 4.757 4.340 -0.002 0.000 0.232 439 Q C -0.538 175.398 176.000 -0.106 0.000 0.810 439 Q CA -0.310 55.408 55.803 -0.142 0.000 1.083 439 Q CB -0.150 28.537 28.738 -0.085 0.000 1.193 439 Q HN 0.471 nan 8.270 nan 0.000 0.471 440 I N 3.195 123.647 120.570 -0.196 0.000 2.648 440 I HA 0.145 4.314 4.170 -0.002 0.000 0.284 440 I C -1.920 174.092 176.117 -0.175 0.000 1.153 440 I CA -1.976 59.244 61.300 -0.133 0.000 1.426 440 I CB 0.419 38.103 38.000 -0.526 0.000 1.381 440 I HN 0.014 nan 8.210 nan 0.000 0.571 441 P HA -0.031 nan 4.420 nan 0.000 0.261 441 P C 0.142 177.357 177.300 -0.141 0.000 1.173 441 P CA 0.119 63.197 63.100 -0.036 0.000 0.760 441 P CB 0.371 32.120 31.700 0.083 0.000 0.783 442 G N 1.693 110.399 108.800 -0.157 0.000 2.606 442 G HA2 0.229 4.188 3.960 -0.002 0.000 0.252 442 G HA3 0.229 4.188 3.960 -0.002 0.000 0.252 442 G C 1.325 176.168 174.900 -0.096 0.000 1.206 442 G CA -0.422 44.564 45.100 -0.190 0.000 0.861 442 G HN 0.427 nan 8.290 nan 0.000 0.561 443 V N -0.708 119.161 119.914 -0.075 0.000 2.568 443 V HA -0.095 4.024 4.120 -0.002 0.000 0.253 443 V C 2.274 178.364 176.094 -0.007 0.000 1.072 443 V CA 1.275 63.564 62.300 -0.017 0.000 1.084 443 V CB -0.535 31.301 31.823 0.021 0.000 0.676 443 V HN 0.497 nan 8.190 nan 0.000 0.469 444 R N 0.893 121.388 120.500 -0.009 0.000 2.307 444 R HA 0.272 4.611 4.340 -0.002 0.000 0.199 444 R C 0.913 177.204 176.300 -0.016 0.000 1.000 444 R CA 0.361 56.456 56.100 -0.009 0.000 1.023 444 R CB -0.398 29.900 30.300 -0.004 0.000 0.908 444 R HN 0.623 nan 8.270 nan 0.000 0.473 445 S N 1.155 116.846 115.700 -0.015 0.000 2.654 445 S HA 0.385 4.854 4.470 -0.002 0.000 0.283 445 S C -2.484 172.115 174.600 -0.002 0.000 1.180 445 S CA -1.220 56.977 58.200 -0.005 0.000 1.021 445 S CB 1.731 64.933 63.200 0.004 0.000 1.018 445 S HN -0.077 nan 8.310 nan 0.000 0.532 446 P HA 0.128 nan 4.420 nan 0.000 0.263 446 P C -0.561 176.787 177.300 0.081 0.000 1.195 446 P CA 0.533 63.593 63.100 -0.068 0.000 0.762 446 P CB -0.139 31.562 31.700 0.001 0.000 0.799 447 Y N 0.980 121.293 120.300 0.022 0.000 4.929 447 Y HA -0.269 4.279 4.550 -0.002 0.000 0.253 447 Y C 1.977 177.908 175.900 0.053 0.000 0.946 447 Y CA 1.274 59.398 58.100 0.040 0.000 1.905 447 Y CB -2.524 35.962 38.460 0.044 0.000 1.400 447 Y HN 0.517 nan 8.280 nan 0.000 0.531 448 G N 0.017 108.892 108.800 0.126 0.000 2.440 448 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.218 448 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.218 448 G C 1.340 176.276 174.900 0.060 0.000 1.154 448 G CA 1.174 46.319 45.100 0.076 0.000 0.767 448 G HN 0.598 nan 8.290 nan 0.000 0.552 449 E N -0.020 120.212 120.200 0.052 0.000 2.077 449 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 449 E C 2.534 179.185 176.600 0.084 0.000 0.989 449 E CA 1.136 57.568 56.400 0.054 0.000 0.800 449 E CB -0.091 29.633 29.700 0.040 0.000 0.746 449 E HN 0.579 nan 8.360 nan 0.000 0.452 450 Q N -0.562 119.306 119.800 0.113 0.000 2.123 450 Q HA -0.123 4.216 4.340 -0.002 0.000 0.199 450 Q C 2.392 178.472 176.000 0.133 0.000 0.966 450 Q CA 1.350 57.227 55.803 0.123 0.000 0.845 450 Q CB 0.031 28.865 28.738 0.161 0.000 0.907 450 Q HN 0.397 nan 8.270 nan 0.000 0.439 451 C N 0.354 119.766 119.300 0.187 0.000 2.436 451 C HA -0.073 4.385 4.460 -0.002 0.000 0.277 451 C C 2.485 177.560 174.990 0.142 0.000 1.241 451 C CA 0.442 59.604 59.018 0.240 0.000 1.721 451 C CB -0.697 27.264 27.740 0.369 0.000 2.043 451 C HN 0.461 nan 8.230 nan 0.000 0.472 452 R N 1.369 121.913 120.500 0.074 0.000 2.092 452 R HA -0.017 4.322 4.340 -0.002 0.000 0.231 452 R C 2.228 178.652 176.300 0.206 0.000 1.119 452 R CA 1.530 57.663 56.100 0.056 0.000 0.970 452 R CB -1.268 28.985 30.300 -0.078 0.000 0.864 452 R HN 0.560 nan 8.270 nan 0.000 0.440 453 A N 1.081 123.997 122.820 0.160 0.000 2.121 453 A HA 0.053 4.372 4.320 -0.002 0.000 0.218 453 A C 2.213 179.930 177.584 0.221 0.000 1.154 453 A CA 1.356 53.507 52.037 0.190 0.000 0.679 453 A CB -0.303 18.778 19.000 0.136 0.000 0.795 453 A HN 0.310 nan 8.150 nan 0.000 0.458 454 A N -1.262 121.583 122.820 0.041 0.000 2.066 454 A HA 0.284 4.603 4.320 -0.002 0.000 0.218 454 A C 0.332 177.673 177.584 -0.405 0.000 1.157 454 A CA 0.274 52.103 52.037 -0.346 0.000 0.670 454 A CB -0.325 18.320 19.000 -0.591 0.000 0.804 454 A HN 0.356 nan 8.150 nan 0.000 0.453 455 F N 0.094 120.002 119.950 -0.071 0.000 2.313 455 F HA 0.577 5.103 4.527 -0.002 0.000 0.369 455 F C 0.736 176.642 175.800 0.176 0.000 1.109 455 F CA -0.006 57.888 58.000 -0.176 0.000 1.132 455 F CB 1.404 39.973 39.000 -0.719 0.000 1.291 455 F HN 0.140 nan 8.300 nan 0.000 0.496 456 G N 0.713 109.878 108.800 0.609 0.000 2.703 456 G HA2 0.479 4.438 3.960 -0.002 0.000 0.294 456 G HA3 0.479 4.438 3.960 -0.002 0.000 0.294 456 G C 0.055 175.154 174.900 0.331 0.000 1.451 456 G CA -0.283 45.097 45.100 0.467 0.000 0.869 456 G HN 0.632 nan 8.290 nan 0.000 0.516 457 A N 0.231 123.222 122.820 0.284 0.000 2.070 457 A HA -0.013 4.305 4.320 -0.002 0.000 0.220 457 A C 1.953 179.656 177.584 0.199 0.000 1.159 457 A CA 2.123 54.335 52.037 0.291 0.000 0.656 457 A CB -0.458 18.748 19.000 0.344 0.000 0.800 457 A HN 0.931 nan 8.150 nan 0.000 0.453 458 E N -0.834 119.369 120.200 0.005 0.000 2.268 458 E HA -0.228 4.120 4.350 -0.002 0.000 0.195 458 E C 1.088 177.596 176.600 -0.153 0.000 0.995 458 E CA 1.216 57.558 56.400 -0.097 0.000 0.836 458 E CB -0.547 29.018 29.700 -0.226 0.000 0.763 458 E HN 0.734 nan 8.360 nan 0.000 0.491 459 H N -0.430 118.684 119.070 0.074 0.000 2.547 459 H HA 0.076 4.631 4.556 -0.002 0.000 0.266 459 H C -0.208 175.090 175.328 -0.050 0.000 0.988 459 H CA 0.689 56.734 56.048 -0.005 0.000 1.147 459 H CB -0.371 29.371 29.762 -0.033 0.000 1.365 459 H HN 0.341 nan 8.280 nan 0.000 0.589 460 H N 0.565 119.578 119.070 -0.095 0.000 2.511 460 H HA 0.369 4.924 4.556 -0.002 0.000 0.328 460 H C -0.748 174.455 175.328 -0.208 0.000 1.044 460 H CA -0.557 55.299 56.048 -0.321 0.000 1.212 460 H CB 0.321 29.641 29.762 -0.736 0.000 1.428 460 H HN -0.027 nan 8.280 nan 0.000 0.483 461 L N 4.419 125.230 121.223 -0.687 0.000 2.275 461 L HA 0.205 4.543 4.340 -0.002 0.000 0.288 461 L C 0.257 176.804 176.870 -0.539 0.000 1.046 461 L CA -0.878 53.729 54.840 -0.387 0.000 0.805 461 L CB 1.052 42.981 42.059 -0.217 0.000 1.193 461 L HN 0.750 nan 8.230 nan 0.000 0.426 462 D N 2.176 122.548 120.400 -0.047 0.000 2.583 462 D HA -0.019 4.619 4.640 -0.002 0.000 0.232 462 D C 1.388 177.721 176.300 0.057 0.000 1.128 462 D CA 0.812 54.943 54.000 0.219 0.000 0.859 462 D CB 1.397 42.481 40.800 0.474 0.000 1.169 462 D HN 0.673 nan 8.370 nan 0.000 0.481 463 G N 3.165 112.026 108.800 0.102 0.000 2.462 463 G HA2 -0.211 3.747 3.960 -0.002 0.000 0.220 463 G HA3 -0.211 3.747 3.960 -0.002 0.000 0.220 463 G C 1.360 176.301 174.900 0.069 0.000 1.121 463 G CA 0.688 45.823 45.100 0.059 0.000 0.758 463 G HN 0.635 nan 8.290 nan 0.000 0.559 464 I N 0.200 120.836 120.570 0.110 0.000 2.685 464 I HA 0.010 4.178 4.170 -0.002 0.000 0.251 464 I C 2.840 178.996 176.117 0.064 0.000 1.102 464 I CA 1.494 62.843 61.300 0.082 0.000 1.442 464 I CB 0.068 38.124 38.000 0.094 0.000 1.194 464 I HN 0.242 nan 8.210 nan 0.000 0.448 465 T N -2.349 112.254 114.554 0.082 0.000 3.044 465 T HA 0.244 4.593 4.350 -0.002 0.000 0.250 465 T C 1.609 176.337 174.700 0.046 0.000 1.081 465 T CA 0.572 62.708 62.100 0.060 0.000 1.040 465 T CB 0.593 69.500 68.868 0.065 0.000 0.962 465 T HN 0.493 nan 8.240 nan 0.000 0.506 466 G N 1.805 110.630 108.800 0.042 0.000 2.184 466 G HA2 -0.247 3.711 3.960 -0.002 0.000 0.264 466 G HA3 -0.247 3.711 3.960 -0.002 0.000 0.264 466 G C 0.079 174.996 174.900 0.027 0.000 0.975 466 G CA 0.185 45.290 45.100 0.008 0.000 0.642 466 G HN 0.606 nan 8.290 nan 0.000 0.536 467 K N 1.020 121.465 120.400 0.076 0.000 2.218 467 K HA 0.378 4.697 4.320 -0.002 0.000 0.276 467 K C -2.430 174.268 176.600 0.164 0.000 1.022 467 K CA -1.796 54.547 56.287 0.093 0.000 0.946 467 K CB 0.966 33.516 32.500 0.084 0.000 1.000 467 K HN 0.068 nan 8.250 nan 0.000 0.468 468 P HA 0.002 nan 4.420 nan 0.000 0.268 468 P C -0.594 176.907 177.300 0.336 0.000 1.205 468 P CA -0.044 63.161 63.100 0.175 0.000 0.771 468 P CB 0.354 32.106 31.700 0.086 0.000 0.858 469 W N 2.102 123.465 121.300 0.105 0.000 2.141 469 W HA 0.365 5.024 4.660 -0.002 0.000 0.354 469 W C -0.225 176.353 176.519 0.099 0.000 1.297 469 W CA -0.012 57.426 57.345 0.155 0.000 1.380 469 W CB 0.221 29.862 29.460 0.300 0.000 1.168 469 W HN 0.037 nan 8.180 nan 0.000 0.639 470 V N 0.942 121.007 119.914 0.252 0.000 2.881 470 V HA 0.358 4.476 4.120 -0.002 0.000 0.316 470 V C -0.432 175.757 176.094 0.157 0.000 1.070 470 V CA -1.156 61.230 62.300 0.144 0.000 0.976 470 V CB 1.588 33.441 31.823 0.050 0.000 1.038 470 V HN 0.420 nan 8.190 nan 0.000 0.446 471 Q N 1.395 121.264 119.800 0.115 0.000 2.309 471 Q HA 0.752 5.091 4.340 -0.002 0.000 0.264 471 Q C -0.851 175.175 176.000 0.045 0.000 1.008 471 Q CA -0.660 55.198 55.803 0.091 0.000 0.853 471 Q CB 1.889 30.694 28.738 0.113 0.000 1.314 471 Q HN 0.933 nan 8.270 nan 0.000 0.448 472 A N 2.465 125.285 122.820 0.001 0.000 2.310 472 A HA 0.715 5.033 4.320 -0.002 0.000 0.304 472 A C -0.332 177.233 177.584 -0.031 0.000 1.231 472 A CA -0.314 51.712 52.037 -0.017 0.000 0.799 472 A CB 1.087 20.054 19.000 -0.054 0.000 1.162 472 A HN 0.726 nan 8.150 nan 0.000 0.486 473 G N 1.623 110.439 108.800 0.026 0.000 2.335 473 G HA2 0.570 4.529 3.960 -0.002 0.000 0.314 473 G HA3 0.570 4.529 3.960 -0.002 0.000 0.314 473 G C -0.871 174.085 174.900 0.093 0.000 1.129 473 G CA -0.244 44.893 45.100 0.062 0.000 0.912 473 G HN 0.521 nan 8.290 nan 0.000 0.443 474 I N 1.782 122.425 120.570 0.123 0.000 2.545 474 I HA 0.407 4.576 4.170 -0.002 0.000 0.292 474 I C -0.703 175.611 176.117 0.329 0.000 1.040 474 I CA -0.711 60.715 61.300 0.209 0.000 1.068 474 I CB 2.489 40.645 38.000 0.261 0.000 1.251 474 I HN 0.285 nan 8.210 nan 0.000 0.424 475 D N 3.695 124.233 120.400 0.230 0.000 2.619 475 D HA 0.650 5.289 4.640 -0.002 0.000 0.241 475 D C -0.846 175.450 176.300 -0.005 0.000 1.087 475 D CA -0.461 53.647 54.000 0.181 0.000 0.851 475 D CB 2.788 43.658 40.800 0.116 0.000 1.474 475 D HN 0.622 nan 8.370 nan 0.000 0.478 476 A N 1.831 124.579 122.820 -0.120 0.000 2.401 476 A HA 0.415 4.734 4.320 -0.002 0.000 0.259 476 A C 0.074 177.606 177.584 -0.088 0.000 1.103 476 A CA -0.207 51.658 52.037 -0.287 0.000 0.789 476 A CB 0.342 19.141 19.000 -0.335 0.000 1.035 476 A HN 0.407 nan 8.150 nan 0.000 0.491 477 S N 1.417 117.071 115.700 -0.077 0.000 2.439 477 S HA 0.455 4.924 4.470 -0.002 0.000 0.282 477 S C 1.152 175.782 174.600 0.049 0.000 1.170 477 S CA 0.339 58.538 58.200 -0.002 0.000 1.054 477 S CB 0.745 63.944 63.200 -0.002 0.000 0.956 477 S HN 2.028 nan 8.310 nan 0.000 0.490 478 G N 2.520 111.379 108.800 0.099 0.000 2.422 478 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.301 478 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.301 478 G C 0.699 175.707 174.900 0.181 0.000 0.981 478 G CA 0.418 45.628 45.100 0.183 0.000 0.994 478 G HN 0.672 nan 8.290 nan 0.000 0.514 479 L N -0.093 121.213 121.223 0.138 0.000 1.997 479 L HA -0.082 4.257 4.340 -0.002 0.000 0.216 479 L C 2.609 179.608 176.870 0.215 0.000 1.074 479 L CA 3.116 58.040 54.840 0.141 0.000 0.763 479 L CB -0.540 41.577 42.059 0.097 0.000 0.890 479 L HN 0.414 nan 8.230 nan 0.000 0.434 480 E N -0.459 119.884 120.200 0.238 0.000 2.058 480 E HA -0.235 4.113 4.350 -0.002 0.000 0.194 480 E C 2.290 179.060 176.600 0.283 0.000 0.997 480 E CA 1.583 58.143 56.400 0.266 0.000 0.801 480 E CB -0.544 29.319 29.700 0.272 0.000 0.746 480 E HN 0.495 nan 8.360 nan 0.000 0.450 481 L N 0.274 121.670 121.223 0.289 0.000 2.046 481 L HA -0.181 4.157 4.340 -0.002 0.000 0.208 481 L C 2.349 179.385 176.870 0.276 0.000 1.077 481 L CA 1.263 56.265 54.840 0.269 0.000 0.747 481 L CB -0.084 42.109 42.059 0.223 0.000 0.896 481 L HN 0.109 nan 8.230 nan 0.000 0.432 482 R N -1.443 119.209 120.500 0.254 0.000 2.115 482 R HA -0.146 4.193 4.340 -0.002 0.000 0.230 482 R C 2.298 178.777 176.300 0.300 0.000 1.111 482 R CA 1.473 57.726 56.100 0.255 0.000 0.976 482 R CB -0.675 29.769 30.300 0.240 0.000 0.870 482 R HN 0.440 nan 8.270 nan 0.000 0.445 483 C N 0.738 120.255 119.300 0.362 0.000 2.440 483 C HA -0.060 4.399 4.460 -0.002 0.000 0.278 483 C C 2.570 177.770 174.990 0.351 0.000 1.295 483 C CA 0.191 59.453 59.018 0.406 0.000 1.738 483 C CB -0.860 27.173 27.740 0.488 0.000 1.987 483 C HN 0.434 nan 8.230 nan 0.000 0.492 484 L N 2.115 123.538 121.223 0.334 0.000 2.017 484 L HA -0.020 4.319 4.340 -0.002 0.000 0.208 484 L C 2.571 179.556 176.870 0.191 0.000 1.073 484 L CA 2.412 57.424 54.840 0.287 0.000 0.745 484 L CB -1.025 41.167 42.059 0.221 0.000 0.894 484 L HN 0.247 nan 8.230 nan 0.000 0.432 485 A N -1.086 121.863 122.820 0.216 0.000 1.908 485 A HA -0.331 3.987 4.320 -0.002 0.000 0.218 485 A C 2.290 179.891 177.584 0.028 0.000 1.181 485 A CA 1.939 54.103 52.037 0.212 0.000 0.627 485 A CB -1.185 17.982 19.000 0.279 0.000 0.818 485 A HN 0.778 nan 8.150 nan 0.000 0.445 486 H N -1.247 117.688 119.070 -0.225 0.000 2.290 486 H HA -0.173 4.382 4.556 -0.002 0.000 0.298 486 H C 1.547 176.601 175.328 -0.456 0.000 1.087 486 H CA 2.396 58.085 56.048 -0.598 0.000 1.291 486 H CB -0.493 28.388 29.762 -1.469 0.000 1.369 486 H HN 0.415 nan 8.280 nan 0.000 0.492 487 F N -0.231 119.557 119.950 -0.270 0.000 2.365 487 F HA -0.072 4.454 4.527 -0.002 0.000 0.300 487 F C 2.507 178.265 175.800 -0.071 0.000 1.090 487 F CA 0.954 58.831 58.000 -0.206 0.000 1.408 487 F CB -0.377 38.625 39.000 0.003 0.000 1.060 487 F HN 0.249 nan 8.300 nan 0.000 0.534 488 M N -0.747 118.924 119.600 0.117 0.000 2.349 488 M HA -0.052 4.427 4.480 -0.002 0.000 0.266 488 M C 2.461 178.816 176.300 0.091 0.000 1.076 488 M CA 1.066 56.473 55.300 0.177 0.000 1.126 488 M CB -0.472 32.153 32.600 0.042 0.000 1.392 488 M HN 0.130 nan 8.290 nan 0.000 0.440 489 A N 0.738 123.512 122.820 -0.076 0.000 2.032 489 A HA -0.230 4.089 4.320 -0.002 0.000 0.221 489 A C 2.180 179.638 177.584 -0.210 0.000 1.165 489 A CA 1.804 53.763 52.037 -0.129 0.000 0.645 489 A CB -0.896 17.986 19.000 -0.197 0.000 0.807 489 A HN 0.512 nan 8.150 nan 0.000 0.453 490 R N -1.618 118.659 120.500 -0.372 0.000 2.189 490 R HA -0.106 4.233 4.340 -0.002 0.000 0.223 490 R C 1.103 177.003 176.300 -0.668 0.000 1.092 490 R CA 1.696 57.445 56.100 -0.586 0.000 0.989 490 R CB -0.210 29.574 30.300 -0.860 0.000 0.876 490 R HN 0.544 nan 8.270 nan 0.000 0.457 491 F N -0.017 119.900 119.950 -0.054 0.000 2.500 491 F HA 0.092 4.618 4.527 -0.003 0.000 0.285 491 F C 1.659 177.436 175.800 -0.038 0.000 1.088 491 F CA 0.283 58.256 58.000 -0.044 0.000 1.432 491 F CB -0.011 38.962 39.000 -0.046 0.000 1.131 491 F HN 0.093 nan 8.300 nan 0.000 0.582 492 D N -1.130 119.342 120.400 0.121 0.000 2.398 492 D HA 0.034 4.673 4.640 -0.002 0.000 0.210 492 D C -0.265 176.051 176.300 0.027 0.000 1.094 492 D CA 0.007 54.052 54.000 0.075 0.000 0.839 492 D CB -1.103 39.754 40.800 0.094 0.000 0.963 492 D HN 0.272 nan 8.370 nan 0.000 0.506 493 N N -0.205 118.487 118.700 -0.014 0.000 2.747 493 N HA -0.156 4.583 4.740 -0.002 0.000 0.249 493 N C 0.984 176.480 175.510 -0.023 0.000 1.107 493 N CA 0.701 53.729 53.050 -0.037 0.000 0.707 493 N CB -1.356 37.111 38.487 -0.033 0.000 1.054 493 N HN 0.503 nan 8.380 nan 0.000 0.555 494 G N -2.768 106.030 108.800 -0.002 0.000 2.175 494 G HA2 -0.317 3.641 3.960 -0.002 0.000 0.244 494 G HA3 -0.317 3.641 3.960 -0.002 0.000 0.244 494 G C 0.826 175.774 174.900 0.081 0.000 0.982 494 G CA 1.232 46.348 45.100 0.028 0.000 0.641 494 G HN 0.795 nan 8.290 nan 0.000 0.527 495 E N -0.455 119.795 120.200 0.084 0.000 2.038 495 E HA -0.143 4.206 4.350 -0.002 0.000 0.195 495 E C 1.969 178.664 176.600 0.158 0.000 1.000 495 E CA 1.799 58.264 56.400 0.109 0.000 0.803 495 E CB -0.667 29.085 29.700 0.088 0.000 0.750 495 E HN 0.924 nan 8.360 nan 0.000 0.448 496 Y N 0.745 121.071 120.300 0.044 0.000 2.165 496 Y HA -0.006 4.542 4.550 -0.003 0.000 0.286 496 Y C 2.872 178.798 175.900 0.044 0.000 1.155 496 Y CA 1.729 59.853 58.100 0.039 0.000 1.164 496 Y CB -0.503 37.979 38.460 0.037 0.000 0.978 496 Y HN 0.318 nan 8.280 nan 0.000 0.513 497 A N -1.203 121.728 122.820 0.184 0.000 1.933 497 A HA -0.264 4.055 4.320 -0.002 0.000 0.218 497 A C 1.971 179.594 177.584 0.065 0.000 1.175 497 A CA 1.979 54.082 52.037 0.111 0.000 0.628 497 A CB -1.132 17.929 19.000 0.102 0.000 0.814 497 A HN 0.686 nan 8.150 nan 0.000 0.444 498 H N -0.407 118.660 119.070 -0.005 0.000 2.357 498 H HA -0.104 4.451 4.556 -0.002 0.000 0.301 498 H C 1.976 177.273 175.328 -0.053 0.000 1.082 498 H CA 1.959 57.995 56.048 -0.020 0.000 1.342 498 H CB -0.052 29.702 29.762 -0.013 0.000 1.389 498 H HN 0.495 nan 8.280 nan 0.000 0.511 499 E N 0.343 120.491 120.200 -0.088 0.000 2.110 499 E HA -0.107 4.242 4.350 -0.002 0.000 0.193 499 E C 2.156 178.616 176.600 -0.234 0.000 0.988 499 E CA 1.452 57.739 56.400 -0.188 0.000 0.804 499 E CB -0.344 29.227 29.700 -0.214 0.000 0.745 499 E HN 0.655 nan 8.360 nan 0.000 0.458 500 I N -0.278 120.158 120.570 -0.223 0.000 2.142 500 I HA -0.247 3.922 4.170 -0.002 0.000 0.240 500 I C 1.736 177.775 176.117 -0.131 0.000 1.078 500 I CA 0.715 61.906 61.300 -0.181 0.000 1.343 500 I CB -0.232 37.706 38.000 -0.105 0.000 1.046 500 I HN 0.178 nan 8.210 nan 0.000 0.405 501 L N 0.224 121.372 121.223 -0.126 0.000 2.156 501 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 501 L C 1.464 178.240 176.870 -0.157 0.000 1.095 501 L CA 1.641 56.415 54.840 -0.110 0.000 0.770 501 L CB -0.640 41.373 42.059 -0.077 0.000 0.914 501 L HN 0.303 nan 8.230 nan 0.000 0.439 502 N N -1.416 117.122 118.700 -0.271 0.000 2.194 502 N HA 0.256 4.995 4.740 -0.002 0.000 0.231 502 N C 0.629 176.017 175.510 -0.203 0.000 1.247 502 N CA 0.666 53.558 53.050 -0.264 0.000 0.884 502 N CB 1.800 40.031 38.487 -0.426 0.000 1.146 502 N HN 0.305 nan 8.380 nan 0.000 0.516 503 G N -0.278 108.416 108.800 -0.177 0.000 3.253 503 G HA2 0.175 4.134 3.960 -0.002 0.000 0.175 503 G HA3 0.175 4.134 3.960 -0.002 0.000 0.175 503 G C -1.532 173.312 174.900 -0.093 0.000 1.098 503 G CA 0.022 45.051 45.100 -0.119 0.000 0.790 503 G HN 0.002 nan 8.290 nan 0.000 0.648 504 D N 0.075 120.421 120.400 -0.090 0.000 2.378 504 D HA 0.228 4.867 4.640 -0.002 0.000 0.265 504 D C 0.664 176.891 176.300 -0.121 0.000 1.229 504 D CA -0.592 53.367 54.000 -0.068 0.000 0.914 504 D CB 1.557 42.349 40.800 -0.014 0.000 1.140 504 D HN 0.088 nan 8.370 nan 0.000 0.516 505 I N 3.232 123.655 120.570 -0.245 0.000 2.361 505 I HA -0.223 3.946 4.170 -0.002 0.000 0.251 505 I C 1.867 177.838 176.117 -0.244 0.000 1.133 505 I CA 1.559 62.649 61.300 -0.350 0.000 1.413 505 I CB -0.053 37.643 38.000 -0.507 0.000 1.073 505 I HN 0.424 nan 8.210 nan 0.000 0.424 506 H N -0.328 118.727 119.070 -0.026 0.000 2.326 506 H HA -0.073 4.481 4.556 -0.002 0.000 0.301 506 H C 2.337 177.678 175.328 0.022 0.000 1.081 506 H CA 2.128 58.179 56.048 0.007 0.000 1.334 506 H CB -1.119 28.653 29.762 0.017 0.000 1.385 506 H HN 0.437 nan 8.280 nan 0.000 0.504 507 T N -0.745 113.884 114.554 0.124 0.000 2.867 507 T HA -0.105 4.243 4.350 -0.002 0.000 0.268 507 T C 1.982 176.717 174.700 0.057 0.000 1.057 507 T CA 1.296 63.441 62.100 0.076 0.000 1.136 507 T CB 0.106 69.003 68.868 0.049 0.000 0.874 507 T HN 0.246 nan 8.240 nan 0.000 0.466 508 K N 1.123 121.544 120.400 0.034 0.000 2.057 508 K HA -0.092 4.227 4.320 -0.002 0.000 0.207 508 K C 1.989 178.652 176.600 0.105 0.000 1.049 508 K CA 1.368 57.674 56.287 0.031 0.000 0.931 508 K CB -0.159 32.320 32.500 -0.035 0.000 0.714 508 K HN 0.238 nan 8.250 nan 0.000 0.440 509 N N 0.873 119.669 118.700 0.161 0.000 2.409 509 N HA -0.142 4.597 4.740 -0.002 0.000 0.179 509 N C 1.640 177.274 175.510 0.207 0.000 1.032 509 N CA 0.727 53.970 53.050 0.322 0.000 0.898 509 N CB 0.051 38.752 38.487 0.355 0.000 0.971 509 N HN 0.408 nan 8.380 nan 0.000 0.441 510 Q N 0.856 120.724 119.800 0.114 0.000 2.016 510 Q HA 0.003 4.342 4.340 -0.002 0.000 0.200 510 Q C 2.027 178.044 176.000 0.028 0.000 0.978 510 Q CA 0.904 56.733 55.803 0.044 0.000 0.833 510 Q CB -0.018 28.745 28.738 0.042 0.000 0.895 510 Q HN 0.266 nan 8.270 nan 0.000 0.427 511 I N 1.436 122.031 120.570 0.042 0.000 2.194 511 I HA -0.233 3.935 4.170 -0.002 0.000 0.246 511 I C 1.150 177.283 176.117 0.027 0.000 1.093 511 I CA 0.600 61.915 61.300 0.025 0.000 1.355 511 I CB -0.444 37.571 38.000 0.025 0.000 1.046 511 I HN 0.204 nan 8.210 nan 0.000 0.413 512 A N 0.052 122.913 122.820 0.067 0.000 2.371 512 A HA 0.513 4.831 4.320 -0.002 0.000 0.257 512 A C 1.265 178.905 177.584 0.092 0.000 1.089 512 A CA 0.342 52.424 52.037 0.076 0.000 0.794 512 A CB 0.507 19.561 19.000 0.090 0.000 1.029 512 A HN 0.672 nan 8.150 nan 0.000 0.488 513 A N 0.888 123.736 122.820 0.046 0.000 3.413 513 A HA -0.146 4.173 4.320 -0.002 0.000 0.268 513 A C 0.502 178.012 177.584 -0.123 0.000 1.128 513 A CA 1.237 53.232 52.037 -0.070 0.000 1.062 513 A CB -2.295 16.533 19.000 -0.288 0.000 1.121 513 A HN 1.662 nan 8.150 nan 0.000 0.895 514 E N -1.407 118.755 120.200 -0.063 0.000 2.497 514 E HA -0.197 4.152 4.350 -0.002 0.000 0.223 514 E C -0.217 176.334 176.600 -0.082 0.000 1.892 514 E CA 1.660 58.027 56.400 -0.055 0.000 0.805 514 E CB -1.165 28.511 29.700 -0.039 0.000 0.957 514 E HN 0.844 nan 8.360 nan 0.000 0.326 515 L N 3.832 125.009 121.223 -0.077 0.000 2.319 515 L HA 0.383 4.722 4.340 -0.002 0.000 0.267 515 L C -0.730 176.118 176.870 -0.036 0.000 1.011 515 L CA -1.993 52.801 54.840 -0.077 0.000 0.818 515 L CB 1.551 43.546 42.059 -0.106 0.000 1.316 515 L HN 0.172 nan 8.230 nan 0.000 0.432 516 P HA -0.057 nan 4.420 nan 0.000 0.212 516 P C 0.389 177.686 177.300 -0.004 0.000 1.180 516 P CA 1.023 64.116 63.100 -0.012 0.000 0.902 516 P CB -0.100 31.595 31.700 -0.008 0.000 0.778 517 T N -2.542 112.012 114.554 -0.000 0.000 2.867 517 T HA 0.434 4.782 4.350 -0.002 0.000 0.282 517 T C 1.071 175.777 174.700 0.010 0.000 1.000 517 T CA -0.772 61.332 62.100 0.006 0.000 1.042 517 T CB 1.973 70.846 68.868 0.008 0.000 0.973 517 T HN 0.074 nan 8.240 nan 0.000 0.465 518 R N 1.139 121.649 120.500 0.016 0.000 2.189 518 R HA 0.003 4.342 4.340 -0.002 0.000 0.223 518 R C 0.849 177.154 176.300 0.010 0.000 1.092 518 R CA 1.200 57.316 56.100 0.028 0.000 0.989 518 R CB -0.665 29.659 30.300 0.040 0.000 0.876 518 R HN 0.527 nan 8.270 nan 0.000 0.457 519 D N 0.468 120.867 120.400 -0.000 0.000 2.224 519 D HA -0.079 4.559 4.640 -0.002 0.000 0.205 519 D C 0.961 177.270 176.300 0.015 0.000 0.965 519 D CA 0.912 54.905 54.000 -0.012 0.000 0.852 519 D CB -0.229 40.570 40.800 -0.001 0.000 0.947 519 D HN 0.304 nan 8.370 nan 0.000 0.494 520 N N -0.008 118.708 118.700 0.026 0.000 2.396 520 N HA 0.019 4.758 4.740 -0.002 0.000 0.180 520 N C 1.530 177.088 175.510 0.079 0.000 1.028 520 N CA 0.835 53.913 53.050 0.047 0.000 0.893 520 N CB -0.028 38.473 38.487 0.024 0.000 0.967 520 N HN 0.089 nan 8.380 nan 0.000 0.440 521 A N 1.041 123.899 122.820 0.062 0.000 1.873 521 A HA -0.115 4.204 4.320 -0.002 0.000 0.215 521 A C 2.366 180.030 177.584 0.133 0.000 1.186 521 A CA 2.305 54.408 52.037 0.111 0.000 0.616 521 A CB -1.080 17.987 19.000 0.112 0.000 0.823 521 A HN 0.346 nan 8.150 nan 0.000 0.442 522 K N -0.882 119.537 120.400 0.031 0.000 2.009 522 K HA -0.169 4.150 4.320 -0.002 0.000 0.210 522 K C 2.103 178.770 176.600 0.111 0.000 1.049 522 K CA 2.509 58.773 56.287 -0.038 0.000 0.929 522 K CB -2.047 30.376 32.500 -0.128 0.000 0.714 522 K HN 0.520 nan 8.250 nan 0.000 0.440 523 T N 0.225 114.862 114.554 0.140 0.000 2.699 523 T HA -0.138 4.210 4.350 -0.002 0.000 0.268 523 T C 1.707 176.499 174.700 0.152 0.000 1.036 523 T CA 1.571 63.767 62.100 0.160 0.000 1.147 523 T CB -0.450 68.491 68.868 0.121 0.000 0.862 523 T HN 0.504 nan 8.240 nan 0.000 0.446 524 F N 1.312 121.255 119.950 -0.012 0.000 2.102 524 F HA -0.014 4.511 4.527 -0.002 0.000 0.298 524 F C 2.008 177.757 175.800 -0.085 0.000 1.105 524 F CA 0.628 58.590 58.000 -0.063 0.000 1.239 524 F CB -0.571 38.336 39.000 -0.154 0.000 0.991 524 F HN 0.041 nan 8.300 nan 0.000 0.474 525 I N -0.367 119.986 120.570 -0.362 0.000 2.202 525 I HA -0.261 3.907 4.170 -0.002 0.000 0.242 525 I C 1.960 177.927 176.117 -0.250 0.000 1.091 525 I CA 1.610 62.626 61.300 -0.473 0.000 1.368 525 I CB -0.904 36.900 38.000 -0.326 0.000 1.058 525 I HN 0.152 nan 8.210 nan 0.000 0.410 526 Y N 0.483 120.790 120.300 0.010 0.000 2.403 526 Y HA -0.007 4.542 4.550 -0.002 0.000 0.291 526 Y C 2.489 178.393 175.900 0.006 0.000 1.143 526 Y CA 1.042 59.166 58.100 0.041 0.000 1.257 526 Y CB -1.183 37.310 38.460 0.055 0.000 0.984 526 Y HN 0.228 nan 8.280 nan 0.000 0.550 527 G N -2.003 106.842 108.800 0.075 0.000 2.539 527 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.215 527 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.215 527 G C 1.477 176.349 174.900 -0.045 0.000 1.141 527 G CA 0.054 45.171 45.100 0.027 0.000 0.806 527 G HN 0.375 nan 8.290 nan 0.000 0.533 528 F N 1.385 121.140 119.950 -0.326 0.000 2.146 528 F HA 0.141 4.667 4.527 -0.001 0.000 0.298 528 F C 2.349 178.051 175.800 -0.163 0.000 1.096 528 F CA 0.968 58.747 58.000 -0.369 0.000 1.275 528 F CB -0.000 38.574 39.000 -0.710 0.000 1.008 528 F HN 0.003 nan 8.300 nan 0.000 0.480 529 L N -0.878 120.351 121.223 0.011 0.000 2.093 529 L HA -0.175 4.164 4.340 -0.002 0.000 0.208 529 L C 1.789 178.639 176.870 -0.032 0.000 1.085 529 L CA 1.284 56.139 54.840 0.025 0.000 0.755 529 L CB -1.493 40.659 42.059 0.154 0.000 0.904 529 L HN 0.269 nan 8.230 nan 0.000 0.435 530 Y N 0.547 120.838 120.300 -0.015 0.000 2.827 530 Y HA 0.550 5.098 4.550 -0.002 0.000 0.373 530 Y C 1.329 177.186 175.900 -0.071 0.000 1.198 530 Y CA -0.690 57.402 58.100 -0.013 0.000 1.589 530 Y CB -0.955 37.529 38.460 0.040 0.000 1.682 530 Y HN 0.220 nan 8.280 nan 0.000 0.506 531 G N 1.487 110.187 108.800 -0.166 0.000 1.969 531 G HA2 0.149 4.108 3.960 -0.002 0.000 0.238 531 G HA3 0.149 4.108 3.960 -0.002 0.000 0.238 531 G C 0.578 175.427 174.900 -0.084 0.000 0.690 531 G CA 0.564 45.540 45.100 -0.207 0.000 0.979 531 G HN 2.016 nan 8.290 nan 0.000 0.375 532 A N 1.150 123.938 122.820 -0.053 0.000 2.327 532 A HA 0.807 5.125 4.320 -0.002 0.000 0.283 532 A C 1.195 178.809 177.584 0.051 0.000 1.127 532 A CA 0.253 52.297 52.037 0.011 0.000 0.810 532 A CB 0.805 19.817 19.000 0.021 0.000 1.066 532 A HN 1.510 nan 8.150 nan 0.000 0.492 533 G N -0.138 108.702 108.800 0.067 0.000 2.690 533 G HA2 0.340 4.299 3.960 -0.002 0.000 0.239 533 G HA3 0.340 4.299 3.960 -0.002 0.000 0.239 533 G C 0.851 175.801 174.900 0.085 0.000 1.233 533 G CA 0.485 45.633 45.100 0.081 0.000 0.847 533 G HN 1.005 nan 8.290 nan 0.000 0.588 534 D N -0.249 120.200 120.400 0.082 0.000 2.182 534 D HA 0.003 4.642 4.640 -0.002 0.000 0.201 534 D C 2.354 178.704 176.300 0.082 0.000 0.986 534 D CA 2.564 56.619 54.000 0.092 0.000 0.847 534 D CB -0.741 40.102 40.800 0.070 0.000 0.942 534 D HN 0.818 nan 8.370 nan 0.000 0.467 535 E N 0.111 120.351 120.200 0.065 0.000 2.023 535 E HA -0.116 4.233 4.350 -0.002 0.000 0.196 535 E C 2.545 179.184 176.600 0.065 0.000 1.003 535 E CA 2.710 59.145 56.400 0.058 0.000 0.809 535 E CB -1.465 28.264 29.700 0.049 0.000 0.755 535 E HN 0.903 nan 8.360 nan 0.000 0.449 536 K N -0.087 120.353 120.400 0.066 0.000 2.160 536 K HA 0.092 4.411 4.320 -0.002 0.000 0.206 536 K C 2.570 179.223 176.600 0.088 0.000 1.047 536 K CA 2.687 59.015 56.287 0.068 0.000 0.930 536 K CB -1.710 30.827 32.500 0.062 0.000 0.720 536 K HN 1.186 nan 8.250 nan 0.000 0.450 537 I N 0.575 121.211 120.570 0.110 0.000 2.252 537 I HA 0.164 4.333 4.170 -0.002 0.000 0.245 537 I C 2.878 179.067 176.117 0.119 0.000 1.102 537 I CA 2.074 63.466 61.300 0.155 0.000 1.385 537 I CB -1.680 36.443 38.000 0.205 0.000 1.064 537 I HN 0.478 nan 8.210 nan 0.000 0.414 538 G N -0.430 108.424 108.800 0.089 0.000 2.421 538 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.216 538 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.216 538 G C 1.722 176.656 174.900 0.057 0.000 1.171 538 G CA 1.826 46.965 45.100 0.065 0.000 0.775 538 G HN 1.085 nan 8.290 nan 0.000 0.543 539 Q N -0.259 119.576 119.800 0.057 0.000 2.443 539 Q HA 0.201 4.540 4.340 -0.002 0.000 0.213 539 Q C 2.634 178.665 176.000 0.051 0.000 0.982 539 Q CA 1.958 57.790 55.803 0.049 0.000 0.894 539 Q CB -1.157 27.609 28.738 0.048 0.000 0.947 539 Q HN 1.058 nan 8.270 nan 0.000 0.480 540 I N -1.520 119.088 120.570 0.063 0.000 2.761 540 I HA 0.488 4.657 4.170 -0.002 0.000 0.261 540 I C 2.486 178.631 176.117 0.047 0.000 1.198 540 I CA 1.746 63.086 61.300 0.065 0.000 1.482 540 I CB -0.763 37.296 38.000 0.098 0.000 1.100 540 I HN 0.617 nan 8.210 nan 0.000 0.445 541 V N -0.749 119.188 119.914 0.040 0.000 3.212 541 V HA 0.581 4.700 4.120 -0.002 0.000 0.244 541 V C 1.845 177.952 176.094 0.023 0.000 1.151 541 V CA 1.211 63.525 62.300 0.024 0.000 1.119 541 V CB -0.024 31.807 31.823 0.013 0.000 0.838 541 V HN 1.716 nan 8.190 nan 0.000 0.470 542 G N -0.721 108.096 108.800 0.028 0.000 2.245 542 G HA2 0.383 4.342 3.960 -0.002 0.000 0.130 542 G HA3 0.383 4.342 3.960 -0.002 0.000 0.130 542 G C 0.195 175.110 174.900 0.025 0.000 1.040 542 G CA 0.263 45.379 45.100 0.026 0.000 0.713 542 G HN 1.908 nan 8.290 nan 0.000 0.488 543 A N -0.188 122.649 122.820 0.029 0.000 2.569 543 A HA 0.747 5.066 4.320 -0.002 0.000 0.284 543 A C 1.422 179.026 177.584 0.033 0.000 0.948 543 A CA 0.959 53.012 52.037 0.027 0.000 1.007 543 A CB -0.057 18.956 19.000 0.023 0.000 1.232 543 A HN 2.180 nan 8.150 nan 0.000 0.530 544 G N -0.038 108.785 108.800 0.038 0.000 2.945 544 G HA2 0.275 4.234 3.960 -0.002 0.000 0.315 544 G HA3 0.275 4.234 3.960 -0.002 0.000 0.315 544 G C 1.142 176.066 174.900 0.041 0.000 0.237 544 G CA 1.083 46.208 45.100 0.042 0.000 1.217 544 G HN 2.026 nan 8.290 nan 0.000 0.242 545 K N -1.009 119.419 120.400 0.047 0.000 3.377 545 K HA -0.267 4.051 4.320 -0.002 0.000 0.314 545 K C 1.913 178.536 176.600 0.039 0.000 1.246 545 K CA 3.374 59.688 56.287 0.044 0.000 0.961 545 K CB -2.349 30.174 32.500 0.038 0.000 1.233 545 K HN 2.196 nan 8.250 nan 0.000 0.428 546 E N -1.457 118.765 120.200 0.036 0.000 2.052 546 E HA 0.432 4.780 4.350 -0.002 0.000 0.192 546 E C 2.469 179.089 176.600 0.033 0.000 0.958 546 E CA 2.095 58.513 56.400 0.030 0.000 0.835 546 E CB -0.952 28.763 29.700 0.025 0.000 0.811 546 E HN 1.545 nan 8.360 nan 0.000 0.462 547 R N 1.058 121.578 120.500 0.033 0.000 2.307 547 R HA 0.280 4.619 4.340 -0.002 0.000 0.199 547 R C 2.584 178.914 176.300 0.050 0.000 1.000 547 R CA 1.303 57.421 56.100 0.031 0.000 1.023 547 R CB -1.431 28.880 30.300 0.019 0.000 0.908 547 R HN 0.585 nan 8.270 nan 0.000 0.473 548 G N 0.343 109.182 108.800 0.064 0.000 2.462 548 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.220 548 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.220 548 G C 1.893 176.858 174.900 0.109 0.000 1.121 548 G CA 1.409 46.566 45.100 0.096 0.000 0.758 548 G HN 0.722 nan 8.290 nan 0.000 0.559 549 K N -0.179 120.267 120.400 0.078 0.000 2.211 549 K HA 0.397 4.715 4.320 -0.002 0.000 0.201 549 K C 2.377 179.025 176.600 0.080 0.000 1.052 549 K CA 1.562 57.895 56.287 0.077 0.000 0.973 549 K CB -0.979 31.549 32.500 0.046 0.000 0.766 549 K HN 0.522 nan 8.250 nan 0.000 0.466 550 E N 1.369 121.604 120.200 0.059 0.000 2.047 550 E HA 0.021 4.370 4.350 -0.002 0.000 0.191 550 E C 2.167 178.795 176.600 0.047 0.000 0.987 550 E CA 1.181 57.608 56.400 0.044 0.000 0.799 550 E CB -0.696 29.018 29.700 0.022 0.000 0.752 550 E HN 0.504 nan 8.360 nan 0.000 0.449 551 L N 0.031 121.278 121.223 0.039 0.000 1.956 551 L HA -0.271 4.068 4.340 -0.002 0.000 0.216 551 L C 2.937 179.856 176.870 0.081 0.000 1.073 551 L CA 2.303 57.130 54.840 -0.022 0.000 0.762 551 L CB -0.507 41.519 42.059 -0.055 0.000 0.889 551 L HN 0.276 nan 8.230 nan 0.000 0.433 552 K N 0.381 120.948 120.400 0.278 0.000 2.034 552 K HA -0.291 4.028 4.320 -0.002 0.000 0.214 552 K C 2.514 179.320 176.600 0.343 0.000 1.051 552 K CA 2.526 59.090 56.287 0.462 0.000 0.931 552 K CB -0.515 32.253 32.500 0.447 0.000 0.715 552 K HN 0.333 nan 8.250 nan 0.000 0.446 553 K N 1.325 121.850 120.400 0.209 0.000 2.044 553 K HA -0.232 4.086 4.320 -0.002 0.000 0.210 553 K C 2.325 178.987 176.600 0.102 0.000 1.049 553 K CA 2.494 58.864 56.287 0.137 0.000 0.927 553 K CB -1.493 31.057 32.500 0.084 0.000 0.713 553 K HN 0.411 nan 8.250 nan 0.000 0.443 554 K N -0.002 120.447 120.400 0.081 0.000 2.211 554 K HA 0.091 4.410 4.320 -0.002 0.000 0.203 554 K C 2.022 178.659 176.600 0.062 0.000 1.050 554 K CA 1.519 57.831 56.287 0.041 0.000 0.945 554 K CB -0.838 31.665 32.500 0.006 0.000 0.732 554 K HN 0.556 nan 8.250 nan 0.000 0.451 555 F N 1.080 120.995 119.950 -0.058 0.000 2.084 555 F HA -0.013 4.513 4.527 -0.001 0.000 0.296 555 F C 1.828 177.606 175.800 -0.036 0.000 1.111 555 F CA 1.097 59.059 58.000 -0.063 0.000 1.224 555 F CB -0.311 38.690 39.000 0.002 0.000 0.991 555 F HN 0.044 nan 8.300 nan 0.000 0.471 556 L N 1.462 122.651 121.223 -0.056 0.000 2.042 556 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 556 L C 2.895 179.667 176.870 -0.162 0.000 1.076 556 L CA 2.429 57.174 54.840 -0.158 0.000 0.749 556 L CB -2.080 40.002 42.059 0.039 0.000 0.893 556 L HN 0.365 nan 8.230 nan 0.000 0.432 557 E N -0.322 119.829 120.200 -0.081 0.000 2.097 557 E HA -0.222 4.126 4.350 -0.002 0.000 0.196 557 E C 1.810 178.349 176.600 -0.101 0.000 1.000 557 E CA 1.776 58.134 56.400 -0.071 0.000 0.804 557 E CB -0.878 28.801 29.700 -0.034 0.000 0.740 557 E HN 0.611 nan 8.360 nan 0.000 0.454 558 N N -0.110 118.511 118.700 -0.131 0.000 2.322 558 N HA 0.022 4.761 4.740 -0.002 0.000 0.194 558 N C -0.377 175.017 175.510 -0.193 0.000 1.126 558 N CA 0.657 53.631 53.050 -0.127 0.000 0.845 558 N CB 1.106 39.543 38.487 -0.084 0.000 0.976 558 N HN 0.330 nan 8.380 nan 0.000 0.475 559 T N 1.024 115.403 114.554 -0.291 0.000 3.583 559 T HA 0.148 4.497 4.350 -0.002 0.000 0.266 559 T C -1.885 172.655 174.700 -0.266 0.000 1.296 559 T CA -0.833 61.068 62.100 -0.333 0.000 1.668 559 T CB 2.098 70.561 68.868 -0.674 0.000 0.832 559 T HN 0.008 nan 8.240 nan 0.000 0.649 560 P HA -0.181 nan 4.420 nan 0.000 0.217 560 P C 1.611 178.810 177.300 -0.169 0.000 1.148 560 P CA 1.035 64.048 63.100 -0.144 0.000 0.828 560 P CB 0.200 31.844 31.700 -0.093 0.000 0.783 561 A N 0.093 122.829 122.820 -0.140 0.000 1.940 561 A HA -0.156 4.163 4.320 -0.002 0.000 0.219 561 A C 2.388 179.834 177.584 -0.230 0.000 1.176 561 A CA 1.413 53.376 52.037 -0.122 0.000 0.631 561 A CB -1.429 17.562 19.000 -0.014 0.000 0.814 561 A HN 0.163 nan 8.150 nan 0.000 0.446 562 I N -0.542 119.890 120.570 -0.230 0.000 2.252 562 I HA -0.224 3.945 4.170 -0.002 0.000 0.245 562 I C 2.942 178.958 176.117 -0.167 0.000 1.102 562 I CA 0.989 62.182 61.300 -0.179 0.000 1.385 562 I CB -0.430 37.471 38.000 -0.164 0.000 1.064 562 I HN 0.357 nan 8.210 nan 0.000 0.414 563 A N 0.926 123.638 122.820 -0.181 0.000 1.930 563 A HA -0.111 4.208 4.320 -0.002 0.000 0.217 563 A C 2.556 179.987 177.584 -0.256 0.000 1.175 563 A CA 1.709 53.655 52.037 -0.151 0.000 0.627 563 A CB -0.672 18.255 19.000 -0.123 0.000 0.815 563 A HN 0.422 nan 8.150 nan 0.000 0.443 564 A N -0.330 122.242 122.820 -0.413 0.000 1.902 564 A HA -0.030 4.289 4.320 -0.002 0.000 0.217 564 A C 2.126 179.168 177.584 -0.903 0.000 1.181 564 A CA 1.740 53.360 52.037 -0.694 0.000 0.623 564 A CB -0.642 17.762 19.000 -0.993 0.000 0.818 564 A HN 0.707 nan 8.150 nan 0.000 0.443 565 L N 0.030 120.744 121.223 -0.848 0.000 1.989 565 L HA -0.157 4.181 4.340 -0.002 0.000 0.211 565 L C 2.427 179.182 176.870 -0.191 0.000 1.071 565 L CA 2.094 56.693 54.840 -0.401 0.000 0.749 565 L CB -0.733 41.267 42.059 -0.098 0.000 0.890 565 L HN 0.358 nan 8.230 nan 0.000 0.431 566 R N -0.348 120.058 120.500 -0.157 0.000 2.103 566 R HA -0.202 4.137 4.340 -0.002 0.000 0.242 566 R C 2.161 178.399 176.300 -0.102 0.000 1.142 566 R CA 1.991 58.034 56.100 -0.096 0.000 0.960 566 R CB -0.449 29.821 30.300 -0.050 0.000 0.858 566 R HN 0.590 nan 8.270 nan 0.000 0.439 567 E N 0.145 120.263 120.200 -0.137 0.000 2.047 567 E HA -0.146 4.202 4.350 -0.002 0.000 0.191 567 E C 2.143 178.694 176.600 -0.082 0.000 0.987 567 E CA 1.617 57.950 56.400 -0.111 0.000 0.799 567 E CB -0.027 29.597 29.700 -0.127 0.000 0.752 567 E HN 0.362 nan 8.360 nan 0.000 0.449 568 S N 0.809 116.465 115.700 -0.073 0.000 2.402 568 S HA -0.105 4.364 4.470 -0.002 0.000 0.229 568 S C 2.061 176.659 174.600 -0.004 0.000 1.021 568 S CA 0.552 58.763 58.200 0.018 0.000 0.974 568 S CB -0.372 62.939 63.200 0.185 0.000 0.800 568 S HN 0.153 nan 8.310 nan 0.000 0.484 569 I N 1.663 122.213 120.570 -0.033 0.000 2.179 569 I HA -0.194 3.975 4.170 -0.002 0.000 0.242 569 I C 3.021 179.102 176.117 -0.061 0.000 1.088 569 I CA 1.520 62.788 61.300 -0.054 0.000 1.357 569 I CB -0.376 37.575 38.000 -0.081 0.000 1.051 569 I HN 0.384 nan 8.210 nan 0.000 0.409 570 Q N 0.086 119.844 119.800 -0.070 0.000 2.224 570 Q HA -0.234 4.105 4.340 -0.002 0.000 0.203 570 Q C 2.460 178.405 176.000 -0.092 0.000 0.970 570 Q CA 1.689 57.439 55.803 -0.089 0.000 0.865 570 Q CB -0.198 28.481 28.738 -0.098 0.000 0.922 570 Q HN 0.670 nan 8.270 nan 0.000 0.445 571 Q N 0.349 120.107 119.800 -0.070 0.000 2.167 571 Q HA -0.122 4.217 4.340 -0.002 0.000 0.202 571 Q C 1.949 177.912 176.000 -0.062 0.000 0.970 571 Q CA 1.785 57.550 55.803 -0.062 0.000 0.855 571 Q CB -1.040 27.674 28.738 -0.040 0.000 0.911 571 Q HN 0.361 nan 8.270 nan 0.000 0.438 572 T N 0.634 115.151 114.554 -0.062 0.000 2.867 572 T HA 0.057 4.406 4.350 -0.002 0.000 0.268 572 T C 1.878 176.524 174.700 -0.091 0.000 1.057 572 T CA 1.304 63.357 62.100 -0.078 0.000 1.136 572 T CB -0.097 68.722 68.868 -0.081 0.000 0.874 572 T HN 0.512 nan 8.240 nan 0.000 0.466 573 L N 0.000 121.187 121.223 -0.060 0.000 2.262 573 L HA 0.235 4.574 4.340 -0.002 0.000 0.197 573 L C 0.518 177.369 176.870 -0.031 0.000 1.073 573 L CA 0.190 55.043 54.840 0.021 0.000 0.800 573 L CB -0.039 42.098 42.059 0.131 0.000 0.987 573 L HN -0.015 nan 8.230 nan 0.000 0.470 574 V N 1.130 120.936 119.914 -0.181 0.000 2.432 574 V HA 0.225 4.344 4.120 -0.002 0.000 0.275 574 V C 0.169 176.171 176.094 -0.154 0.000 1.043 574 V CA -0.347 61.791 62.300 -0.270 0.000 0.925 574 V CB 1.389 33.000 31.823 -0.354 0.000 0.985 574 V HN 0.145 nan 8.190 nan 0.000 0.466 588 W N 1.823 123.113 121.300 -0.016 0.000 2.702 588 W HA 0.501 5.160 4.660 -0.002 0.000 0.331 588 W C 1.068 177.562 176.519 -0.042 0.000 1.049 588 W CA -0.350 56.975 57.345 -0.033 0.000 1.230 588 W CB 2.187 31.634 29.460 -0.021 0.000 1.408 588 W HN 0.261 nan 8.180 nan 0.000 0.492 589 K N 0.974 121.475 120.400 0.168 0.000 2.354 589 K HA 0.352 4.670 4.320 -0.002 0.000 0.194 589 K C 0.386 176.997 176.600 0.018 0.000 1.045 589 K CA 0.019 56.344 56.287 0.064 0.000 1.026 589 K CB 1.203 33.704 32.500 0.001 0.000 0.866 589 K HN 0.410 nan 8.250 nan 0.000 0.530 590 R N 0.555 121.074 120.500 0.032 0.000 2.647 590 R HA 0.218 4.557 4.340 -0.002 0.000 0.260 590 R C -0.875 175.345 176.300 -0.135 0.000 1.154 590 R CA -0.452 55.521 56.100 -0.211 0.000 1.029 590 R CB 1.289 31.284 30.300 -0.508 0.000 1.262 590 R HN 0.000 nan 8.270 nan 0.000 0.437 591 R N 3.721 124.084 120.500 -0.229 0.000 2.449 591 R HA 0.185 4.523 4.340 -0.002 0.000 0.262 591 R C -0.653 175.575 176.300 -0.120 0.000 1.006 591 R CA 0.276 56.170 56.100 -0.343 0.000 1.104 591 R CB 0.421 30.488 30.300 -0.389 0.000 1.206 591 R HN 0.460 nan 8.270 nan 0.000 0.538 592 W N -0.886 120.366 121.300 -0.079 0.000 3.074 592 W HA 0.450 5.109 4.660 -0.002 0.000 0.332 592 W C -1.638 174.866 176.519 -0.024 0.000 1.253 592 W CA -1.475 55.830 57.345 -0.066 0.000 1.180 592 W CB 0.120 29.553 29.460 -0.045 0.000 1.445 592 W HN -0.308 nan 8.180 nan 0.000 0.573 593 I N 1.881 122.629 120.570 0.295 0.000 2.750 593 I HA 0.468 4.637 4.170 -0.002 0.000 0.308 593 I C -0.445 175.894 176.117 0.370 0.000 1.016 593 I CA -1.784 59.628 61.300 0.186 0.000 1.098 593 I CB 1.859 39.892 38.000 0.055 0.000 1.279 593 I HN 0.446 nan 8.210 nan 0.000 0.454 594 K N 4.097 124.670 120.400 0.288 0.000 2.285 594 K HA 0.537 4.856 4.320 -0.002 0.000 0.286 594 K C 0.096 176.786 176.600 0.150 0.000 1.072 594 K CA -0.357 56.103 56.287 0.288 0.000 0.913 594 K CB 0.349 33.014 32.500 0.273 0.000 1.067 594 K HN 0.906 nan 8.250 nan 0.000 0.479 595 G N 2.761 111.631 108.800 0.117 0.000 2.651 595 G HA2 0.040 3.999 3.960 -0.002 0.000 0.260 595 G HA3 0.040 3.999 3.960 -0.002 0.000 0.260 595 G C 0.950 175.826 174.900 -0.041 0.000 1.216 595 G CA -0.574 44.559 45.100 0.054 0.000 0.913 595 G HN 0.718 nan 8.290 nan 0.000 0.535 596 L N -0.179 120.927 121.223 -0.195 0.000 2.187 596 L HA -0.059 4.280 4.340 -0.002 0.000 0.213 596 L C 1.888 178.354 176.870 -0.673 0.000 1.100 596 L CA 1.532 56.007 54.840 -0.608 0.000 0.765 596 L CB -0.235 41.117 42.059 -1.178 0.000 0.904 596 L HN 0.686 nan 8.230 nan 0.000 0.437 597 D N -1.452 118.790 120.400 -0.262 0.000 2.388 597 D HA 0.148 4.787 4.640 -0.002 0.000 0.221 597 D C 1.337 177.682 176.300 0.074 0.000 1.133 597 D CA 0.534 54.585 54.000 0.085 0.000 0.831 597 D CB 0.456 41.452 40.800 0.327 0.000 0.962 597 D HN 0.206 nan 8.370 nan 0.000 0.502 598 G N 1.112 109.919 108.800 0.011 0.000 2.241 598 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.244 598 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.244 598 G C 0.473 175.403 174.900 0.051 0.000 0.998 598 G CA 0.034 45.137 45.100 0.005 0.000 0.621 598 G HN 0.685 nan 8.290 nan 0.000 0.519 599 R N 1.010 121.558 120.500 0.080 0.000 2.784 599 R HA 0.451 4.790 4.340 -0.002 0.000 0.266 599 R C -0.139 176.162 176.300 0.002 0.000 1.044 599 R CA 0.037 56.201 56.100 0.106 0.000 1.151 599 R CB 0.560 31.001 30.300 0.235 0.000 1.037 599 R HN 0.284 nan 8.270 nan 0.000 0.478 600 K N 1.091 121.343 120.400 -0.247 0.000 2.218 600 K HA 0.290 4.608 4.320 -0.002 0.000 0.276 600 K C -0.782 175.787 176.600 -0.052 0.000 1.022 600 K CA -0.638 55.387 56.287 -0.438 0.000 0.946 600 K CB 1.630 33.439 32.500 -1.152 0.000 1.000 600 K HN 0.315 nan 8.250 nan 0.000 0.468 601 V N 3.008 122.996 119.914 0.124 0.000 2.380 601 V HA 0.046 4.165 4.120 -0.002 0.000 0.286 601 V C -0.453 175.759 176.094 0.197 0.000 1.015 601 V CA -0.919 61.466 62.300 0.141 0.000 0.834 601 V CB 0.659 32.557 31.823 0.124 0.000 1.009 601 V HN 0.758 nan 8.190 nan 0.000 0.428 602 H N 3.925 123.047 119.070 0.087 0.000 3.064 602 H HA 0.287 4.842 4.556 -0.002 0.000 0.329 602 H C -0.576 174.784 175.328 0.053 0.000 1.020 602 H CA 0.708 56.801 56.048 0.075 0.000 1.402 602 H CB 0.865 30.638 29.762 0.019 0.000 1.379 602 H HN 0.394 nan 8.280 nan 0.000 0.594 603 V N 5.850 125.354 119.914 -0.682 0.000 2.448 603 V HA 0.409 4.527 4.120 -0.002 0.000 0.295 603 V C 1.342 177.054 176.094 -0.636 0.000 1.025 603 V CA 0.099 62.146 62.300 -0.421 0.000 0.859 603 V CB 0.889 32.638 31.823 -0.124 0.000 0.988 603 V HN 0.992 nan 8.190 nan 0.000 0.431 604 R N 3.473 123.828 120.500 -0.243 0.000 2.057 604 R HA 0.142 4.481 4.340 -0.002 0.000 0.229 604 R C 1.075 177.466 176.300 0.152 0.000 1.136 604 R CA 1.581 57.652 56.100 -0.048 0.000 0.952 604 R CB -0.485 29.856 30.300 0.069 0.000 0.848 604 R HN 0.933 nan 8.270 nan 0.000 0.430 605 S N -2.210 113.627 115.700 0.227 0.000 2.595 605 S HA 0.537 5.006 4.470 -0.002 0.000 0.281 605 S C -2.488 172.266 174.600 0.257 0.000 1.117 605 S CA -1.095 57.310 58.200 0.341 0.000 0.873 605 S CB 2.599 65.925 63.200 0.210 0.000 1.108 605 S HN 0.015 nan 8.310 nan 0.000 0.477 606 P HA -0.150 nan 4.420 nan 0.000 0.216 606 P C 1.208 178.523 177.300 0.025 0.000 1.150 606 P CA 1.521 64.599 63.100 -0.037 0.000 0.843 606 P CB -0.152 31.416 31.700 -0.220 0.000 0.787 607 H N -0.037 119.013 119.070 -0.034 0.000 2.456 607 H HA -0.001 4.554 4.556 -0.002 0.000 0.296 607 H C 1.602 176.905 175.328 -0.041 0.000 1.079 607 H CA 1.659 57.684 56.048 -0.039 0.000 1.322 607 H CB -0.575 29.171 29.762 -0.028 0.000 1.388 607 H HN 0.003 nan 8.280 nan 0.000 0.538 608 A N 0.180 122.915 122.820 -0.142 0.000 2.178 608 A HA 0.348 4.667 4.320 -0.002 0.000 0.211 608 A C 2.509 180.012 177.584 -0.135 0.000 1.157 608 A CA 0.758 52.678 52.037 -0.195 0.000 0.780 608 A CB -0.811 18.148 19.000 -0.070 0.000 0.828 608 A HN 0.566 nan 8.150 nan 0.000 0.476 609 A N 0.672 123.446 122.820 -0.078 0.000 1.873 609 A HA -0.255 4.064 4.320 -0.002 0.000 0.219 609 A C 2.094 179.614 177.584 -0.107 0.000 1.269 609 A CA 2.146 54.147 52.037 -0.061 0.000 0.671 609 A CB -1.013 17.962 19.000 -0.042 0.000 0.842 609 A HN 0.910 nan 8.150 nan 0.000 0.460 610 L N 1.041 122.182 121.223 -0.137 0.000 1.990 610 L HA -0.258 4.081 4.340 -0.002 0.000 0.213 610 L C 2.260 179.046 176.870 -0.141 0.000 1.072 610 L CA 2.887 57.638 54.840 -0.148 0.000 0.755 610 L CB -0.984 40.987 42.059 -0.146 0.000 0.889 610 L HN 0.675 nan 8.230 nan 0.000 0.432 611 N N -1.482 117.117 118.700 -0.170 0.000 2.104 611 N HA -0.222 4.517 4.740 -0.002 0.000 0.190 611 N C 1.573 177.047 175.510 -0.061 0.000 1.024 611 N CA 2.234 55.207 53.050 -0.129 0.000 0.853 611 N CB -0.133 38.248 38.487 -0.176 0.000 1.008 611 N HN 0.508 nan 8.380 nan 0.000 0.424 612 T N 1.958 116.474 114.554 -0.063 0.000 2.684 612 T HA -0.147 4.202 4.350 -0.002 0.000 0.267 612 T C 1.964 176.654 174.700 -0.016 0.000 1.036 612 T CA 1.127 63.215 62.100 -0.021 0.000 1.148 612 T CB -0.396 68.460 68.868 -0.021 0.000 0.863 612 T HN 0.197 nan 8.240 nan 0.000 0.436 613 L N 1.017 122.196 121.223 -0.073 0.000 1.989 613 L HA -0.062 4.277 4.340 -0.002 0.000 0.211 613 L C 2.198 179.042 176.870 -0.044 0.000 1.071 613 L CA 1.725 56.480 54.840 -0.142 0.000 0.749 613 L CB -0.686 41.169 42.059 -0.341 0.000 0.890 613 L HN 0.260 nan 8.230 nan 0.000 0.431 614 L N -0.973 120.256 121.223 0.009 0.000 2.017 614 L HA -0.230 4.108 4.340 -0.002 0.000 0.208 614 L C 2.696 179.673 176.870 0.178 0.000 1.073 614 L CA 1.853 56.792 54.840 0.166 0.000 0.745 614 L CB -0.876 41.273 42.059 0.149 0.000 0.894 614 L HN 0.490 nan 8.230 nan 0.000 0.432 615 Q N -0.284 119.584 119.800 0.114 0.000 2.124 615 Q HA -0.237 4.102 4.340 -0.002 0.000 0.202 615 Q C 2.363 178.434 176.000 0.118 0.000 0.977 615 Q CA 2.015 57.887 55.803 0.115 0.000 0.850 615 Q CB -0.006 28.785 28.738 0.088 0.000 0.901 615 Q HN 0.364 nan 8.270 nan 0.000 0.429 616 S N -0.662 115.105 115.700 0.111 0.000 2.387 616 S HA -0.070 4.399 4.470 -0.002 0.000 0.226 616 S C 1.885 176.573 174.600 0.147 0.000 1.026 616 S CA 0.974 59.243 58.200 0.115 0.000 0.972 616 S CB -0.261 62.995 63.200 0.094 0.000 0.814 616 S HN 0.549 nan 8.310 nan 0.000 0.477 617 A N 0.961 123.907 122.820 0.210 0.000 1.877 617 A HA 0.128 4.447 4.320 -0.002 0.000 0.216 617 A C 2.342 180.050 177.584 0.207 0.000 1.186 617 A CA 1.801 53.997 52.037 0.266 0.000 0.620 617 A CB -1.675 17.649 19.000 0.540 0.000 0.822 617 A HN 0.611 nan 8.150 nan 0.000 0.443 618 G N -0.488 108.439 108.800 0.211 0.000 2.421 618 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.216 618 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.216 618 G C 1.783 176.790 174.900 0.178 0.000 1.171 618 G CA 1.599 46.806 45.100 0.178 0.000 0.775 618 G HN 0.814 nan 8.290 nan 0.000 0.543 619 A N 0.639 123.552 122.820 0.155 0.000 1.883 619 A HA 0.033 4.352 4.320 -0.002 0.000 0.217 619 A C 2.449 180.197 177.584 0.274 0.000 1.186 619 A CA 1.475 53.624 52.037 0.187 0.000 0.624 619 A CB -0.450 18.628 19.000 0.129 0.000 0.822 619 A HN 0.359 nan 8.150 nan 0.000 0.444 620 L N -0.961 120.403 121.223 0.235 0.000 2.156 620 L HA -0.091 4.247 4.340 -0.002 0.000 0.208 620 L C 2.465 179.589 176.870 0.425 0.000 1.095 620 L CA 0.862 55.878 54.840 0.295 0.000 0.770 620 L CB -0.497 41.667 42.059 0.174 0.000 0.914 620 L HN 0.361 nan 8.230 nan 0.000 0.439 621 I N -0.666 120.112 120.570 0.347 0.000 2.252 621 I HA -0.313 3.855 4.170 -0.002 0.000 0.245 621 I C 2.578 178.872 176.117 0.296 0.000 1.102 621 I CA 1.076 62.570 61.300 0.323 0.000 1.385 621 I CB -0.182 37.860 38.000 0.069 0.000 1.064 621 I HN 0.359 nan 8.210 nan 0.000 0.414 622 C N 0.400 119.896 119.300 0.328 0.000 2.435 622 C HA -0.150 4.308 4.460 -0.002 0.000 0.279 622 C C 2.788 177.954 174.990 0.294 0.000 1.321 622 C CA 0.834 60.140 59.018 0.480 0.000 1.752 622 C CB -0.859 27.249 27.740 0.612 0.000 1.959 622 C HN 0.435 nan 8.230 nan 0.000 0.500 623 K N 0.525 121.058 120.400 0.221 0.000 2.001 623 K HA -0.154 4.165 4.320 -0.002 0.000 0.208 623 K C 1.961 178.536 176.600 -0.042 0.000 1.048 623 K CA 1.290 57.557 56.287 -0.033 0.000 0.932 623 K CB -0.395 32.200 32.500 0.158 0.000 0.715 623 K HN 0.277 nan 8.250 nan 0.000 0.437 624 L N 0.696 121.982 121.223 0.105 0.000 2.131 624 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 624 L C 1.958 178.838 176.870 0.016 0.000 1.092 624 L CA 1.701 56.553 54.840 0.019 0.000 0.759 624 L CB -0.748 41.278 42.059 -0.056 0.000 0.903 624 L HN 0.476 nan 8.230 nan 0.000 0.435 625 W N 1.229 122.473 121.300 -0.094 0.000 2.354 625 W HA -0.225 4.434 4.660 -0.001 0.000 0.315 625 W C 2.420 178.854 176.519 -0.141 0.000 1.206 625 W CA 2.760 60.047 57.345 -0.096 0.000 1.290 625 W CB -0.645 28.786 29.460 -0.049 0.000 1.152 625 W HN 0.399 nan 8.180 nan 0.000 0.489 626 I N -1.333 118.926 120.570 -0.518 0.000 2.361 626 I HA -0.208 3.961 4.170 -0.002 0.000 0.251 626 I C 2.214 178.097 176.117 -0.390 0.000 1.133 626 I CA 1.743 62.625 61.300 -0.696 0.000 1.413 626 I CB -0.896 36.674 38.000 -0.717 0.000 1.073 626 I HN 0.053 nan 8.210 nan 0.000 0.424 627 I N 1.307 121.684 120.570 -0.322 0.000 2.202 627 I HA -0.231 3.938 4.170 -0.002 0.000 0.242 627 I C 2.646 178.583 176.117 -0.301 0.000 1.091 627 I CA 1.439 62.574 61.300 -0.274 0.000 1.368 627 I CB -0.314 37.558 38.000 -0.213 0.000 1.058 627 I HN 0.187 nan 8.210 nan 0.000 0.410 628 K N 0.872 121.084 120.400 -0.314 0.000 2.097 628 K HA -0.126 4.193 4.320 -0.002 0.000 0.205 628 K C 1.982 178.370 176.600 -0.354 0.000 1.050 628 K CA 1.786 57.830 56.287 -0.404 0.000 0.938 628 K CB -0.549 31.685 32.500 -0.443 0.000 0.718 628 K HN 0.159 nan 8.250 nan 0.000 0.442 629 T N 0.982 115.339 114.554 -0.329 0.000 2.652 629 T HA -0.161 4.188 4.350 -0.002 0.000 0.267 629 T C 1.566 176.085 174.700 -0.301 0.000 1.039 629 T CA 1.591 63.500 62.100 -0.318 0.000 1.153 629 T CB -0.267 68.328 68.868 -0.455 0.000 0.863 629 T HN 0.370 nan 8.240 nan 0.000 0.428 630 E N 0.734 120.775 120.200 -0.265 0.000 2.110 630 E HA -0.178 4.171 4.350 -0.002 0.000 0.193 630 E C 2.237 178.702 176.600 -0.224 0.000 0.988 630 E CA 1.120 57.359 56.400 -0.269 0.000 0.804 630 E CB -0.084 29.391 29.700 -0.374 0.000 0.745 630 E HN 0.618 nan 8.360 nan 0.000 0.458 631 E N -0.134 119.915 120.200 -0.251 0.000 2.106 631 E HA -0.171 4.178 4.350 -0.002 0.000 0.192 631 E C 2.202 178.661 176.600 -0.235 0.000 0.984 631 E CA 1.017 57.276 56.400 -0.236 0.000 0.806 631 E CB 0.008 29.531 29.700 -0.295 0.000 0.750 631 E HN 0.264 nan 8.360 nan 0.000 0.458 632 M N 0.203 119.637 119.600 -0.277 0.000 2.175 632 M HA -0.130 4.349 4.480 -0.002 0.000 0.264 632 M C 2.271 178.442 176.300 -0.215 0.000 1.063 632 M CA 1.074 56.225 55.300 -0.248 0.000 1.119 632 M CB -0.086 32.360 32.600 -0.256 0.000 1.377 632 M HN 0.203 nan 8.290 nan 0.000 0.415 633 L N -0.730 120.331 121.223 -0.270 0.000 2.017 633 L HA -0.193 4.145 4.340 -0.002 0.000 0.208 633 L C 2.420 179.205 176.870 -0.141 0.000 1.073 633 L CA 0.957 55.610 54.840 -0.312 0.000 0.745 633 L CB -0.733 40.904 42.059 -0.702 0.000 0.894 633 L HN 0.123 nan 8.230 nan 0.000 0.432 634 V N -0.170 119.701 119.914 -0.071 0.000 2.407 634 V HA -0.269 3.850 4.120 -0.002 0.000 0.248 634 V C 2.361 178.425 176.094 -0.049 0.000 1.055 634 V CA 1.718 64.019 62.300 0.002 0.000 1.049 634 V CB -0.467 31.356 31.823 -0.000 0.000 0.662 634 V HN 0.455 nan 8.190 nan 0.000 0.455 635 E N -0.077 120.067 120.200 -0.093 0.000 2.110 635 E HA -0.235 4.114 4.350 -0.002 0.000 0.193 635 E C 2.107 178.662 176.600 -0.076 0.000 0.988 635 E CA 1.062 57.406 56.400 -0.092 0.000 0.804 635 E CB -0.141 29.486 29.700 -0.120 0.000 0.745 635 E HN 0.549 nan 8.360 nan 0.000 0.458 636 K N -0.781 119.568 120.400 -0.084 0.000 2.555 636 K HA -0.028 4.290 4.320 -0.002 0.000 0.193 636 K C 1.050 177.620 176.600 -0.049 0.000 1.032 636 K CA 0.521 56.765 56.287 -0.072 0.000 1.004 636 K CB 0.350 32.794 32.500 -0.092 0.000 0.804 636 K HN 0.288 nan 8.250 nan 0.000 0.496 637 G N 0.470 109.249 108.800 -0.034 0.000 2.179 637 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.220 637 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.220 637 G C -0.279 174.628 174.900 0.012 0.000 0.990 637 G CA -0.519 44.571 45.100 -0.017 0.000 0.646 637 G HN 0.024 nan 8.290 nan 0.000 0.517 638 L N 1.170 122.418 121.223 0.041 0.000 2.380 638 L HA 0.526 4.865 4.340 -0.002 0.000 0.273 638 L C 0.747 177.742 176.870 0.208 0.000 1.138 638 L CA -0.058 54.861 54.840 0.132 0.000 0.832 638 L CB 1.293 43.447 42.059 0.159 0.000 1.124 638 L HN 0.253 nan 8.230 nan 0.000 0.454 639 K N 2.413 122.882 120.400 0.114 0.000 2.183 639 K HA 0.205 4.523 4.320 -0.002 0.000 0.274 639 K C -0.635 175.795 176.600 -0.283 0.000 1.009 639 K CA -0.542 55.736 56.287 -0.015 0.000 0.888 639 K CB 0.456 32.938 32.500 -0.030 0.000 1.078 639 K HN 0.686 nan 8.250 nan 0.000 0.459 640 H N 2.537 121.265 119.070 -0.570 0.000 2.846 640 H HA 0.369 4.924 4.556 -0.002 0.000 0.278 640 H C -0.246 174.705 175.328 -0.629 0.000 1.117 640 H CA 0.001 55.418 56.048 -1.051 0.000 1.406 640 H CB 0.604 29.903 29.762 -0.772 0.000 1.445 640 H HN 0.905 nan 8.280 nan 0.000 0.469 641 G N 3.212 111.780 108.800 -0.386 0.000 2.350 641 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.304 641 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.304 641 G C -0.425 174.311 174.900 -0.274 0.000 1.421 641 G CA -0.833 44.030 45.100 -0.394 0.000 0.934 641 G HN 0.672 nan 8.290 nan 0.000 0.632 642 W N 0.024 121.225 121.300 -0.165 0.000 2.465 642 W HA 0.092 4.750 4.660 -0.002 0.000 0.268 642 W C 2.061 178.606 176.519 0.044 0.000 1.242 642 W CA 0.919 58.078 57.345 -0.312 0.000 1.248 642 W CB 0.347 29.515 29.460 -0.487 0.000 1.118 642 W HN 0.638 nan 8.180 nan 0.000 0.587 643 D N -1.091 119.444 120.400 0.224 0.000 2.325 643 D HA 0.132 4.771 4.640 -0.002 0.000 0.225 643 D C 1.101 177.504 176.300 0.172 0.000 1.096 643 D CA 0.466 54.584 54.000 0.197 0.000 0.844 643 D CB -0.448 40.416 40.800 0.108 0.000 0.925 643 D HN 0.127 nan 8.370 nan 0.000 0.513 644 G N 0.028 108.955 108.800 0.211 0.000 3.392 644 G HA2 0.179 4.138 3.960 -0.002 0.000 0.185 644 G HA3 0.179 4.138 3.960 -0.002 0.000 0.185 644 G C 0.200 175.195 174.900 0.157 0.000 1.206 644 G CA -0.192 44.981 45.100 0.123 0.000 0.776 644 G HN 0.003 nan 8.290 nan 0.000 0.697 645 D N -0.909 119.521 120.400 0.050 0.000 2.470 645 D HA 0.200 4.839 4.640 -0.002 0.000 0.238 645 D C 0.103 176.395 176.300 -0.013 0.000 1.054 645 D CA 0.563 54.550 54.000 -0.022 0.000 0.896 645 D CB 1.088 41.932 40.800 0.073 0.000 1.118 645 D HN 0.280 nan 8.370 nan 0.000 0.497 646 F N 0.034 119.984 119.950 0.000 0.000 2.662 646 F HA 0.764 5.290 4.527 -0.002 0.000 0.312 646 F C -1.858 173.947 175.800 0.009 0.000 1.113 646 F CA -1.719 56.291 58.000 0.016 0.000 0.951 646 F CB 1.644 40.566 39.000 -0.131 0.000 1.344 646 F HN -0.166 nan 8.300 nan 0.000 0.462 647 A N 1.472 124.261 122.820 -0.051 0.000 2.456 647 A HA 0.589 4.908 4.320 -0.002 0.000 0.288 647 A C -2.209 175.341 177.584 -0.056 0.000 1.042 647 A CA -0.567 51.276 52.037 -0.322 0.000 0.738 647 A CB 0.206 18.422 19.000 -1.306 0.000 1.266 647 A HN 0.691 nan 8.150 nan 0.000 0.407 648 Y N 2.277 122.552 120.300 -0.041 0.000 2.620 648 Y HA 0.203 4.752 4.550 -0.002 0.000 0.330 648 Y C 1.467 177.253 175.900 -0.189 0.000 1.186 648 Y CA 0.418 58.466 58.100 -0.086 0.000 1.467 648 Y CB 0.739 39.209 38.460 0.018 0.000 1.262 648 Y HN 0.740 nan 8.280 nan 0.000 0.550 649 M N 1.953 121.405 119.600 -0.247 0.000 2.638 649 M HA 0.404 4.883 4.480 -0.002 0.000 0.256 649 M C 0.151 176.209 176.300 -0.404 0.000 1.282 649 M CA 0.429 55.444 55.300 -0.476 0.000 1.155 649 M CB 0.758 32.708 32.600 -1.083 0.000 1.345 649 M HN 0.554 nan 8.290 nan 0.000 0.523 650 A N -0.194 122.440 122.820 -0.311 0.000 2.577 650 A HA 0.536 4.854 4.320 -0.002 0.000 0.297 650 A C -2.603 175.056 177.584 0.124 0.000 1.060 650 A CA -0.411 51.602 52.037 -0.040 0.000 0.697 650 A CB 0.822 19.770 19.000 -0.088 0.000 1.281 650 A HN 0.376 nan 8.150 nan 0.000 0.402 651 W N 2.961 124.332 121.300 0.119 0.000 2.463 651 W HA 0.612 5.271 4.660 -0.002 0.000 0.316 651 W C -2.050 174.665 176.519 0.326 0.000 1.004 651 W CA -0.974 56.471 57.345 0.168 0.000 1.309 651 W CB 1.429 30.988 29.460 0.166 0.000 1.288 651 W HN 0.497 nan 8.180 nan 0.000 0.423 652 V N 8.612 128.602 119.914 0.126 0.000 2.304 652 V HA 0.239 4.357 4.120 -0.002 0.000 0.278 652 V C 1.088 177.219 176.094 0.061 0.000 1.018 652 V CA -0.091 62.190 62.300 -0.033 0.000 0.814 652 V CB 0.381 32.272 31.823 0.113 0.000 1.021 652 V HN 0.880 nan 8.190 nan 0.000 0.440 653 H N 2.803 121.682 119.070 -0.318 0.000 1.453 653 H HA -0.268 4.287 4.556 -0.002 0.000 0.090 653 H C 0.515 175.996 175.328 0.255 0.000 0.593 653 H CA 2.338 58.336 56.048 -0.084 0.000 1.901 653 H CB -0.347 29.417 29.762 0.003 0.000 2.257 653 H HN 0.690 nan 8.280 nan 0.000 0.961 654 D N 1.905 122.556 120.400 0.418 0.000 2.402 654 D HA 0.124 4.762 4.640 -0.002 0.000 0.216 654 D C 0.236 176.842 176.300 0.509 0.000 1.128 654 D CA 0.596 54.857 54.000 0.435 0.000 0.833 654 D CB 0.332 41.291 40.800 0.266 0.000 0.971 654 D HN 0.499 nan 8.370 nan 0.000 0.503 655 E N 0.588 121.115 120.200 0.546 0.000 2.343 655 E HA 0.579 4.928 4.350 -0.002 0.000 0.270 655 E C -0.647 176.242 176.600 0.482 0.000 0.895 655 E CA -1.066 55.641 56.400 0.511 0.000 0.767 655 E CB 2.289 32.245 29.700 0.426 0.000 1.248 655 E HN 0.022 nan 8.360 nan 0.000 0.440 656 I N -1.252 119.481 120.570 0.271 0.000 2.689 656 I HA 0.477 4.646 4.170 -0.002 0.000 0.299 656 I C -1.031 175.015 176.117 -0.119 0.000 1.059 656 I CA -1.156 60.153 61.300 0.014 0.000 1.055 656 I CB 2.266 40.059 38.000 -0.346 0.000 1.243 656 I HN 0.306 nan 8.210 nan 0.000 0.425 657 Q N 4.482 124.117 119.800 -0.274 0.000 2.341 657 Q HA 0.573 4.911 4.340 -0.002 0.000 0.268 657 Q C -1.083 174.665 176.000 -0.420 0.000 1.013 657 Q CA -0.658 54.928 55.803 -0.363 0.000 0.798 657 Q CB 2.853 31.223 28.738 -0.613 0.000 1.253 657 Q HN 0.638 nan 8.270 nan 0.000 0.457 658 V N 1.022 120.747 119.914 -0.314 0.000 2.495 658 V HA 0.665 4.784 4.120 -0.002 0.000 0.298 658 V C 0.486 176.535 176.094 -0.075 0.000 1.031 658 V CA -0.941 61.204 62.300 -0.259 0.000 0.871 658 V CB 1.969 33.612 31.823 -0.299 0.000 0.988 658 V HN 0.803 nan 8.190 nan 0.000 0.432 659 G N 2.556 111.368 108.800 0.020 0.000 2.353 659 G HA2 0.477 4.436 3.960 -0.002 0.000 0.284 659 G HA3 0.477 4.436 3.960 -0.002 0.000 0.284 659 G C -0.486 174.673 174.900 0.432 0.000 1.172 659 G CA -0.153 45.123 45.100 0.293 0.000 0.854 659 G HN 0.806 nan 8.290 nan 0.000 0.485 660 C N 2.244 121.749 119.300 0.342 0.000 2.498 660 C HA 0.456 4.915 4.460 -0.002 0.000 0.316 660 C C 1.644 176.276 174.990 -0.596 0.000 1.209 660 C CA -0.802 58.181 59.018 -0.059 0.000 1.518 660 C CB 1.774 29.473 27.740 -0.069 0.000 2.147 660 C HN 1.048 nan 8.230 nan 0.000 0.483 661 R N 1.102 120.751 120.500 -1.419 0.000 2.152 661 R HA -0.063 4.275 4.340 -0.002 0.000 0.232 661 R C 0.821 176.701 176.300 -0.699 0.000 1.117 661 R CA 1.883 56.947 56.100 -1.726 0.000 0.981 661 R CB 0.129 29.714 30.300 -1.193 0.000 0.870 661 R HN 0.944 nan 8.270 nan 0.000 0.451 662 T N -4.844 109.467 114.554 -0.405 0.000 2.843 662 T HA 0.188 4.537 4.350 -0.002 0.000 0.302 662 T C 0.377 174.996 174.700 -0.134 0.000 1.232 662 T CA -0.941 61.035 62.100 -0.207 0.000 1.009 662 T CB 1.748 70.523 68.868 -0.155 0.000 1.254 662 T HN 0.070 nan 8.240 nan 0.000 0.504 663 E N 0.178 120.329 120.200 -0.081 0.000 2.085 663 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 663 E C 1.778 178.343 176.600 -0.058 0.000 0.994 663 E CA 1.453 57.822 56.400 -0.052 0.000 0.801 663 E CB 0.023 29.704 29.700 -0.032 0.000 0.743 663 E HN 0.830 nan 8.360 nan 0.000 0.453 664 E N 0.455 120.617 120.200 -0.064 0.000 2.085 664 E HA -0.220 4.128 4.350 -0.002 0.000 0.194 664 E C 2.069 178.625 176.600 -0.074 0.000 0.994 664 E CA 1.086 57.450 56.400 -0.061 0.000 0.801 664 E CB -0.060 29.605 29.700 -0.058 0.000 0.743 664 E HN 0.276 nan 8.360 nan 0.000 0.453 665 I N 0.726 121.239 120.570 -0.095 0.000 2.226 665 I HA -0.248 3.921 4.170 -0.002 0.000 0.245 665 I C 2.548 178.602 176.117 -0.105 0.000 1.100 665 I CA 0.929 62.165 61.300 -0.106 0.000 1.374 665 I CB -0.293 37.627 38.000 -0.132 0.000 1.057 665 I HN 0.180 nan 8.210 nan 0.000 0.413 666 A N 0.186 122.952 122.820 -0.089 0.000 1.933 666 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 666 A C 2.238 179.782 177.584 -0.067 0.000 1.175 666 A CA 1.528 53.522 52.037 -0.072 0.000 0.628 666 A CB -0.561 18.413 19.000 -0.043 0.000 0.814 666 A HN 0.470 nan 8.150 nan 0.000 0.444 667 Q N -0.564 119.202 119.800 -0.058 0.000 2.119 667 Q HA -0.098 4.240 4.340 -0.002 0.000 0.201 667 Q C 2.102 178.065 176.000 -0.061 0.000 0.972 667 Q CA 1.538 57.313 55.803 -0.047 0.000 0.847 667 Q CB -0.315 28.400 28.738 -0.038 0.000 0.903 667 Q HN 0.504 nan 8.270 nan 0.000 0.433 668 V N 0.086 119.952 119.914 -0.081 0.000 2.358 668 V HA -0.213 3.905 4.120 -0.002 0.000 0.246 668 V C 2.191 178.207 176.094 -0.130 0.000 1.047 668 V CA 1.288 63.529 62.300 -0.098 0.000 1.035 668 V CB -0.380 31.378 31.823 -0.109 0.000 0.658 668 V HN 0.184 nan 8.190 nan 0.000 0.452 669 V N -0.154 119.663 119.914 -0.162 0.000 2.343 669 V HA -0.269 3.849 4.120 -0.002 0.000 0.247 669 V C 2.189 178.202 176.094 -0.136 0.000 1.051 669 V CA 2.203 64.375 62.300 -0.213 0.000 1.036 669 V CB -0.428 31.252 31.823 -0.239 0.000 0.654 669 V HN 0.438 nan 8.190 nan 0.000 0.451 670 I N 0.474 120.995 120.570 -0.082 0.000 2.179 670 I HA -0.268 3.901 4.170 -0.002 0.000 0.242 670 I C 2.630 178.742 176.117 -0.008 0.000 1.088 670 I CA 2.068 63.351 61.300 -0.028 0.000 1.357 670 I CB -0.442 37.550 38.000 -0.014 0.000 1.051 670 I HN 0.510 nan 8.210 nan 0.000 0.409 671 E N -0.021 120.163 120.200 -0.027 0.000 2.152 671 E HA -0.140 4.209 4.350 -0.002 0.000 0.192 671 E C 1.906 178.496 176.600 -0.017 0.000 0.983 671 E CA 1.503 57.894 56.400 -0.015 0.000 0.818 671 E CB -0.483 29.203 29.700 -0.023 0.000 0.758 671 E HN 0.393 nan 8.360 nan 0.000 0.467 672 T N 1.281 115.802 114.554 -0.055 0.000 2.821 672 T HA -0.056 4.293 4.350 -0.002 0.000 0.267 672 T C 2.090 176.777 174.700 -0.021 0.000 1.046 672 T CA 1.182 63.238 62.100 -0.074 0.000 1.139 672 T CB -0.191 68.584 68.868 -0.156 0.000 0.871 672 T HN 0.352 nan 8.240 nan 0.000 0.454 673 A N 1.309 124.138 122.820 0.016 0.000 1.933 673 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 673 A C 2.265 180.051 177.584 0.338 0.000 1.175 673 A CA 1.894 54.052 52.037 0.202 0.000 0.628 673 A CB -0.639 18.498 19.000 0.228 0.000 0.814 673 A HN 0.440 nan 8.150 nan 0.000 0.444 674 Q N 0.228 120.123 119.800 0.158 0.000 2.046 674 Q HA -0.153 4.186 4.340 -0.002 0.000 0.200 674 Q C 1.782 177.834 176.000 0.087 0.000 0.975 674 Q CA 2.227 58.085 55.803 0.092 0.000 0.836 674 Q CB -0.408 28.357 28.738 0.045 0.000 0.896 674 Q HN 0.732 nan 8.270 nan 0.000 0.428 675 E N -0.160 120.084 120.200 0.073 0.000 2.058 675 E HA -0.218 4.131 4.350 -0.002 0.000 0.194 675 E C 1.916 178.590 176.600 0.123 0.000 0.997 675 E CA 1.179 57.621 56.400 0.071 0.000 0.801 675 E CB -0.314 29.401 29.700 0.024 0.000 0.746 675 E HN 0.513 nan 8.360 nan 0.000 0.450 676 A N 0.910 123.808 122.820 0.129 0.000 1.940 676 A HA -0.231 4.088 4.320 -0.002 0.000 0.219 676 A C 2.114 179.888 177.584 0.316 0.000 1.176 676 A CA 1.716 53.859 52.037 0.178 0.000 0.631 676 A CB -0.441 18.633 19.000 0.124 0.000 0.814 676 A HN 0.216 nan 8.150 nan 0.000 0.446 677 M N -0.542 119.216 119.600 0.263 0.000 2.086 677 M HA -0.088 4.390 4.480 -0.002 0.000 0.261 677 M C 1.948 178.268 176.300 0.034 0.000 1.067 677 M CA 1.501 56.807 55.300 0.011 0.000 1.116 677 M CB -0.432 31.994 32.600 -0.290 0.000 1.348 677 M HN 0.245 nan 8.290 nan 0.000 0.407 678 R N -1.245 119.296 120.500 0.068 0.000 2.096 678 R HA -0.186 4.153 4.340 -0.002 0.000 0.235 678 R C 2.077 178.432 176.300 0.092 0.000 1.127 678 R CA 1.706 57.842 56.100 0.060 0.000 0.968 678 R CB -1.636 28.703 30.300 0.064 0.000 0.861 678 R HN 0.691 nan 8.270 nan 0.000 0.440 679 W N 0.985 122.266 121.300 -0.031 0.000 2.338 679 W HA -0.198 4.461 4.660 -0.002 0.000 0.304 679 W C 1.938 178.414 176.519 -0.072 0.000 1.212 679 W CA 1.298 58.615 57.345 -0.046 0.000 1.264 679 W CB -0.158 29.263 29.460 -0.065 0.000 1.142 679 W HN -0.199 nan 8.180 nan 0.000 0.512 680 V N 0.898 120.922 119.914 0.183 0.000 2.343 680 V HA -0.225 3.893 4.120 -0.002 0.000 0.247 680 V C 2.449 178.448 176.094 -0.158 0.000 1.051 680 V CA 2.106 64.377 62.300 -0.049 0.000 1.036 680 V CB -1.625 30.211 31.823 0.021 0.000 0.654 680 V HN 0.416 nan 8.190 nan 0.000 0.451 681 G N -0.403 108.336 108.800 -0.102 0.000 2.422 681 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.218 681 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.218 681 G C 1.310 176.203 174.900 -0.011 0.000 1.146 681 G CA 1.234 46.297 45.100 -0.062 0.000 0.769 681 G HN 0.614 nan 8.290 nan 0.000 0.547 682 D N -0.703 119.637 120.400 -0.101 0.000 2.123 682 D HA -0.136 4.503 4.640 -0.002 0.000 0.200 682 D C 2.077 178.235 176.300 -0.236 0.000 0.976 682 D CA 1.042 54.957 54.000 -0.142 0.000 0.831 682 D CB -0.243 40.443 40.800 -0.189 0.000 0.974 682 D HN 0.414 nan 8.370 nan 0.000 0.469 683 H N -1.171 117.557 119.070 -0.570 0.000 2.352 683 H HA -0.123 4.432 4.556 -0.002 0.000 0.299 683 H C 0.699 175.828 175.328 -0.333 0.000 1.097 683 H CA 1.741 57.355 56.048 -0.724 0.000 1.311 683 H CB -0.098 28.904 29.762 -1.267 0.000 1.377 683 H HN 0.263 nan 8.280 nan 0.000 0.504 684 W N 1.391 122.569 121.300 -0.204 0.000 3.194 684 W HA 0.284 4.942 4.660 -0.002 0.000 0.408 684 W C -0.056 176.455 176.519 -0.013 0.000 1.072 684 W CA -0.294 56.968 57.345 -0.138 0.000 1.953 684 W CB -0.636 28.798 29.460 -0.044 0.000 1.091 684 W HN 0.269 nan 8.180 nan 0.000 0.699 685 N N 0.441 119.227 118.700 0.143 0.000 2.714 685 N HA -0.271 4.467 4.740 -0.002 0.000 0.252 685 N C -0.440 175.210 175.510 0.233 0.000 1.014 685 N CA 0.942 54.071 53.050 0.132 0.000 0.735 685 N CB -1.929 36.613 38.487 0.091 0.000 0.924 685 N HN -0.014 nan 8.380 nan 0.000 0.540 686 F N 1.204 121.154 119.950 -0.001 0.000 2.538 686 F HA 0.066 4.592 4.527 -0.001 0.000 0.371 686 F C 2.034 177.910 175.800 0.127 0.000 1.087 686 F CA -0.358 57.606 58.000 -0.060 0.000 1.250 686 F CB 0.685 39.589 39.000 -0.159 0.000 1.110 686 F HN -0.039 nan 8.300 nan 0.000 0.570 687 R N 2.416 123.023 120.500 0.178 0.000 2.313 687 R HA 0.045 4.384 4.340 -0.002 0.000 0.199 687 R C -0.118 176.201 176.300 0.031 0.000 0.958 687 R CA 0.244 56.365 56.100 0.034 0.000 1.047 687 R CB -0.822 29.394 30.300 -0.140 0.000 0.955 687 R HN 0.408 nan 8.270 nan 0.000 0.481 688 C N 1.208 120.548 119.300 0.067 0.000 2.498 688 C HA 0.457 4.916 4.460 -0.002 0.000 0.316 688 C C -0.176 174.937 174.990 0.204 0.000 1.209 688 C CA -1.386 57.706 59.018 0.123 0.000 1.518 688 C CB 0.468 28.283 27.740 0.126 0.000 2.147 688 C HN 0.316 nan 8.230 nan 0.000 0.483 689 L N 5.626 126.928 121.223 0.133 0.000 2.456 689 L HA 0.443 4.782 4.340 -0.002 0.000 0.272 689 L C -0.472 176.459 176.870 0.102 0.000 1.189 689 L CA 0.775 55.678 54.840 0.106 0.000 0.846 689 L CB 0.403 42.500 42.059 0.063 0.000 1.111 689 L HN 0.597 nan 8.230 nan 0.000 0.475 690 L N 4.479 125.739 121.223 0.061 0.000 2.334 690 L HA 0.585 4.923 4.340 -0.002 0.000 0.276 690 L C -0.638 176.204 176.870 -0.045 0.000 1.014 690 L CA -0.726 54.115 54.840 0.001 0.000 0.815 690 L CB 1.718 43.736 42.059 -0.068 0.000 1.268 690 L HN 0.603 nan 8.230 nan 0.000 0.428 691 D N 0.110 120.465 120.400 -0.074 0.000 2.592 691 D HA 0.604 5.243 4.640 -0.002 0.000 0.263 691 D C -0.762 175.447 176.300 -0.153 0.000 1.132 691 D CA -0.180 53.769 54.000 -0.085 0.000 0.996 691 D CB 2.718 43.497 40.800 -0.035 0.000 1.442 691 D HN 0.575 nan 8.370 nan 0.000 0.486 692 T N -3.010 111.472 114.554 -0.119 0.000 2.883 692 T HA 0.637 4.986 4.350 -0.002 0.000 0.296 692 T C -0.906 173.779 174.700 -0.025 0.000 1.117 692 T CA -0.857 61.170 62.100 -0.121 0.000 1.006 692 T CB 2.754 71.561 68.868 -0.101 0.000 1.191 692 T HN 0.379 nan 8.240 nan 0.000 0.508 693 E N -0.034 120.171 120.200 0.008 0.000 2.256 693 E HA 0.578 4.927 4.350 -0.002 0.000 0.268 693 E C -0.756 175.877 176.600 0.055 0.000 0.877 693 E CA -0.975 55.441 56.400 0.026 0.000 0.757 693 E CB 1.597 31.307 29.700 0.017 0.000 1.183 693 E HN 1.044 nan 8.360 nan 0.000 0.418 694 G N 3.086 111.915 108.800 0.050 0.000 2.448 694 G HA2 0.481 4.440 3.960 -0.002 0.000 0.324 694 G HA3 0.481 4.440 3.960 -0.002 0.000 0.324 694 G C -1.113 173.814 174.900 0.045 0.000 1.203 694 G CA -0.440 44.693 45.100 0.056 0.000 0.954 694 G HN 0.252 nan 8.290 nan 0.000 0.480 695 K N 1.230 121.662 120.400 0.053 0.000 2.468 695 K HA 0.472 4.791 4.320 -0.002 0.000 0.252 695 K C -1.095 175.537 176.600 0.054 0.000 0.932 695 K CA -0.701 55.619 56.287 0.055 0.000 0.794 695 K CB 2.197 34.740 32.500 0.072 0.000 1.241 695 K HN 0.617 nan 8.250 nan 0.000 0.428 696 M N 1.838 121.465 119.600 0.045 0.000 2.472 696 M HA 0.662 5.140 4.480 -0.002 0.000 0.331 696 M C -0.207 176.127 176.300 0.057 0.000 1.170 696 M CA -0.051 55.274 55.300 0.042 0.000 1.009 696 M CB 1.751 34.365 32.600 0.023 0.000 1.672 696 M HN 0.759 nan 8.290 nan 0.000 0.453 697 G N 2.784 111.623 108.800 0.065 0.000 2.322 697 G HA2 0.320 4.278 3.960 -0.002 0.000 0.295 697 G HA3 0.320 4.278 3.960 -0.002 0.000 0.295 697 G C -3.173 171.776 174.900 0.082 0.000 1.369 697 G CA -0.683 44.462 45.100 0.075 0.000 0.821 697 G HN 0.415 nan 8.290 nan 0.000 0.536 698 P HA 0.074 nan 4.420 nan 0.000 0.224 698 P C 0.229 177.570 177.300 0.068 0.000 1.157 698 P CA 1.086 64.218 63.100 0.053 0.000 0.799 698 P CB 0.187 31.898 31.700 0.019 0.000 0.809 699 N N -3.497 115.283 118.700 0.133 0.000 3.243 699 N HA 0.037 4.775 4.740 -0.002 0.000 0.280 699 N C -0.072 175.639 175.510 0.335 0.000 1.545 699 N CA -0.861 52.324 53.050 0.225 0.000 0.854 699 N CB -0.534 38.075 38.487 0.205 0.000 1.612 699 N HN -0.308 nan 8.380 nan 0.000 0.577 700 W N 0.263 121.689 121.300 0.209 0.000 2.465 700 W HA 0.275 4.934 4.660 -0.002 0.000 0.268 700 W C 1.751 178.347 176.519 0.127 0.000 1.242 700 W CA 1.443 58.895 57.345 0.177 0.000 1.248 700 W CB -1.106 28.419 29.460 0.109 0.000 1.118 700 W HN 0.778 nan 8.180 nan 0.000 0.587 701 A N -0.152 122.861 122.820 0.321 0.000 1.929 701 A HA -0.117 4.201 4.320 -0.002 0.000 0.216 701 A C 2.043 179.745 177.584 0.197 0.000 1.176 701 A CA 1.635 53.783 52.037 0.186 0.000 0.628 701 A CB -0.710 18.372 19.000 0.136 0.000 0.816 701 A HN 0.217 nan 8.150 nan 0.000 0.444 702 I N -1.010 119.681 120.570 0.202 0.000 2.716 702 I HA -0.124 4.045 4.170 -0.002 0.000 0.259 702 I C 0.800 177.030 176.117 0.189 0.000 1.172 702 I CA 0.366 61.763 61.300 0.163 0.000 1.478 702 I CB 0.006 38.082 38.000 0.126 0.000 1.104 702 I HN 0.234 nan 8.210 nan 0.000 0.439 703 C N 0.597 120.056 119.300 0.266 0.000 2.353 703 C HA 0.245 4.704 4.460 -0.002 0.000 0.338 703 C C 0.710 175.932 174.990 0.386 0.000 1.343 703 C CA -0.261 58.920 59.018 0.270 0.000 1.760 703 C CB -2.271 25.608 27.740 0.233 0.000 2.111 703 C HN 0.380 nan 8.230 nan 0.000 0.576 704 H N 0.000 119.210 119.070 0.234 0.000 2.539 704 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 704 H CA 0.000 56.172 56.048 0.206 0.000 1.023 704 H CB 0.000 29.862 29.762 0.167 0.000 1.292 704 H HN 0.000 nan 8.280 nan 0.000 0.496