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 1yvf_1_A DATA FIRST_RESID 0 DATA SEQUENCE MSMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNLVYS TTSRSASLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR SLSSRAVNHI RSVWKDLLED TDTPIQTTIM AKNEVFCVQP DATA SEQUENCE EKGGRKPARL IVFPDLGVRV CEKMALYDVV STLPQAVMGS SYGFQYSPKQ DATA SEQUENCE RVEFLVNTWK AKKCPMGFSY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIRSLTER LYVGGPMTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE AAACRAAKLQ DCTMLVNGDD LVVICESAGT QEDAASLRVF TEAMTRYSAP DATA SEQUENCE PGDPPQPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT VPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIERLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA KLLSQGGRAA ICGKYLFNWA VRTKLKLTPI PAASRLLLSG DATA SEQUENCE WFVAGYSGGD IYHS 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.294 176.300 -0.010 0.000 1.140 0 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 0 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 1 S N 0.209 115.898 115.700 -0.019 0.000 2.473 1 S HA 0.812 5.282 4.470 -0.001 0.000 0.307 1 S C 0.141 174.711 174.600 -0.050 0.000 1.094 1 S CA -0.799 57.379 58.200 -0.037 0.000 1.070 1 S CB 2.017 65.188 63.200 -0.050 0.000 1.019 1 S HN 0.357 nan 8.310 nan 0.000 0.480 2 M N 3.322 122.892 119.600 -0.051 0.000 2.252 2 M HA 0.130 4.610 4.480 -0.001 0.000 0.333 2 M C 1.725 177.926 176.300 -0.166 0.000 1.111 2 M CA -0.067 55.192 55.300 -0.069 0.000 1.140 2 M CB 0.557 33.137 32.600 -0.033 0.000 1.538 2 M HN 1.035 nan 8.290 nan 0.000 0.448 3 S N 1.507 117.040 115.700 -0.277 0.000 2.436 3 S HA 0.027 4.497 4.470 -0.001 0.000 0.228 3 S C 0.061 174.255 174.600 -0.677 0.000 1.014 3 S CA 0.513 58.414 58.200 -0.498 0.000 0.950 3 S CB -0.013 62.778 63.200 -0.681 0.000 0.784 3 S HN 0.651 nan 8.310 nan 0.000 0.504 4 Y N 0.599 120.769 120.300 -0.218 0.000 2.638 4 Y HA 0.539 5.089 4.550 -0.001 0.000 0.335 4 Y C -0.354 175.290 175.900 -0.427 0.000 1.155 4 Y CA -1.017 56.837 58.100 -0.410 0.000 1.046 4 Y CB 1.878 39.954 38.460 -0.639 0.000 1.303 4 Y HN 0.088 nan 8.280 nan 0.000 0.460 5 T N -2.509 111.797 114.554 -0.414 0.000 2.900 5 T HA 0.675 5.025 4.350 -0.001 0.000 0.295 5 T C -1.493 172.895 174.700 -0.519 0.000 1.044 5 T CA -0.873 61.062 62.100 -0.274 0.000 0.995 5 T CB 1.386 70.203 68.868 -0.085 0.000 1.072 5 T HN 0.527 nan 8.240 nan 0.000 0.473 6 W N 0.874 122.221 121.300 0.079 0.000 2.819 6 W HA 0.479 5.138 4.660 -0.001 0.000 0.337 6 W C 1.427 177.970 176.519 0.039 0.000 1.077 6 W CA -0.804 56.570 57.345 0.048 0.000 1.226 6 W CB 2.065 31.538 29.460 0.021 0.000 1.419 6 W HN 0.925 nan 8.180 nan 0.000 0.502 7 T N -1.967 112.747 114.554 0.268 0.000 3.043 7 T HA 0.276 4.626 4.350 -0.001 0.000 0.263 7 T C 1.450 176.234 174.700 0.140 0.000 1.094 7 T CA 1.060 63.256 62.100 0.159 0.000 1.127 7 T CB -0.059 68.880 68.868 0.118 0.000 0.905 7 T HN 1.235 nan 8.240 nan 0.000 0.490 8 G N 1.034 109.932 108.800 0.163 0.000 2.231 8 G HA2 0.065 4.025 3.960 -0.001 0.000 0.206 8 G HA3 0.065 4.025 3.960 -0.001 0.000 0.206 8 G C 0.291 175.227 174.900 0.059 0.000 0.996 8 G CA -0.164 44.990 45.100 0.090 0.000 0.645 8 G HN 1.082 nan 8.290 nan 0.000 0.498 9 A N 0.992 123.861 122.820 0.081 0.000 2.440 9 A HA 0.699 5.019 4.320 -0.001 0.000 0.251 9 A C 0.835 178.439 177.584 0.034 0.000 1.089 9 A CA -0.054 52.016 52.037 0.054 0.000 0.779 9 A CB 0.216 19.255 19.000 0.064 0.000 1.022 9 A HN 0.875 nan 8.150 nan 0.000 0.492 10 L N 1.958 123.185 121.223 0.007 0.000 2.464 10 L HA 0.223 4.562 4.340 -0.001 0.000 0.264 10 L C 0.174 177.040 176.870 -0.008 0.000 1.199 10 L CA -0.070 54.758 54.840 -0.020 0.000 0.818 10 L CB 0.300 42.349 42.059 -0.017 0.000 1.102 10 L HN 0.532 nan 8.230 nan 0.000 0.473 11 I N 1.430 121.981 120.570 -0.032 0.000 2.352 11 I HA 0.151 4.321 4.170 -0.001 0.000 0.290 11 I C 0.437 176.556 176.117 0.004 0.000 1.036 11 I CA -0.084 61.211 61.300 -0.008 0.000 1.336 11 I CB 1.130 39.108 38.000 -0.036 0.000 1.407 11 I HN 0.696 nan 8.210 nan 0.000 0.497 12 T N 4.944 119.510 114.554 0.021 0.000 2.940 12 T HA 0.661 5.011 4.350 -0.001 0.000 0.288 12 T C -2.618 172.105 174.700 0.038 0.000 1.033 12 T CA -1.949 60.166 62.100 0.025 0.000 1.033 12 T CB 2.148 71.029 68.868 0.022 0.000 1.079 12 T HN 0.291 nan 8.240 nan 0.000 0.496 13 P HA 0.390 nan 4.420 nan 0.000 0.286 13 P C 0.388 177.714 177.300 0.043 0.000 1.292 13 P CA -0.737 62.391 63.100 0.046 0.000 0.842 13 P CB 1.407 33.134 31.700 0.045 0.000 1.207 14 C N -1.571 117.757 119.300 0.046 0.000 2.370 14 C HA 0.661 5.120 4.460 -0.001 0.000 0.348 14 C C 1.579 176.591 174.990 0.037 0.000 1.477 14 C CA 0.544 59.585 59.018 0.039 0.000 2.302 14 C CB -0.820 26.945 27.740 0.043 0.000 2.220 14 C HN 0.616 nan 8.230 nan 0.000 0.625 15 A N 1.454 124.299 122.820 0.041 0.000 2.275 15 A HA 0.719 5.038 4.320 -0.001 0.000 0.282 15 A C 0.474 178.087 177.584 0.049 0.000 1.275 15 A CA 0.420 52.483 52.037 0.043 0.000 0.842 15 A CB -0.622 18.406 19.000 0.047 0.000 1.280 15 A HN 1.275 nan 8.150 nan 0.000 0.508 16 A N -0.554 122.298 122.820 0.054 0.000 2.327 16 A HA 0.550 4.870 4.320 -0.001 0.000 0.283 16 A C -0.244 177.387 177.584 0.078 0.000 1.127 16 A CA -0.338 51.736 52.037 0.060 0.000 0.810 16 A CB 0.024 19.059 19.000 0.057 0.000 1.066 16 A HN 0.698 nan 8.150 nan 0.000 0.492 17 E N 1.781 122.032 120.200 0.084 0.000 2.129 17 E HA 0.252 4.602 4.350 -0.001 0.000 0.268 17 E C -1.003 175.682 176.600 0.141 0.000 0.900 17 E CA -0.626 55.839 56.400 0.107 0.000 0.755 17 E CB 1.278 31.031 29.700 0.089 0.000 1.117 17 E HN 0.545 nan 8.360 nan 0.000 0.410 18 E N 1.866 122.189 120.200 0.205 0.000 2.180 18 E HA 0.018 4.368 4.350 -0.001 0.000 0.283 18 E C 0.402 177.226 176.600 0.372 0.000 1.061 18 E CA 0.014 56.579 56.400 0.275 0.000 0.861 18 E CB 1.741 31.647 29.700 0.344 0.000 1.056 18 E HN 0.429 nan 8.360 nan 0.000 0.407 19 S N 3.688 119.563 115.700 0.292 0.000 2.387 19 S HA 0.015 4.485 4.470 -0.001 0.000 0.221 19 S C 0.679 175.532 174.600 0.422 0.000 1.041 19 S CA 0.786 59.167 58.200 0.302 0.000 0.959 19 S CB 0.379 63.698 63.200 0.197 0.000 0.843 19 S HN 0.299 nan 8.310 nan 0.000 0.488 20 K N 0.198 120.800 120.400 0.337 0.000 2.177 20 K HA 0.440 4.759 4.320 -0.001 0.000 0.238 20 K C -1.055 175.657 176.600 0.186 0.000 1.015 20 K CA -0.890 55.586 56.287 0.315 0.000 0.922 20 K CB 0.506 33.115 32.500 0.182 0.000 1.127 20 K HN 0.156 nan 8.250 nan 0.000 0.469 21 L N 2.777 124.068 121.223 0.113 0.000 2.395 21 L HA 0.198 4.538 4.340 -0.001 0.000 0.269 21 L C -1.550 175.196 176.870 -0.207 0.000 1.133 21 L CA -1.442 53.289 54.840 -0.181 0.000 0.812 21 L CB 0.147 42.236 42.059 0.050 0.000 1.125 21 L HN 0.579 nan 8.230 nan 0.000 0.452 22 P HA -0.013 nan 4.420 nan 0.000 0.262 22 P C 0.193 177.383 177.300 -0.183 0.000 1.339 22 P CA 0.518 63.488 63.100 -0.216 0.000 0.706 22 P CB 0.662 32.222 31.700 -0.232 0.000 1.424 23 I N -2.055 118.422 120.570 -0.155 0.000 3.511 23 I HA 0.223 4.393 4.170 -0.001 0.000 0.321 23 I C -0.030 176.027 176.117 -0.100 0.000 1.459 23 I CA -0.475 60.741 61.300 -0.140 0.000 0.946 23 I CB -0.482 37.450 38.000 -0.113 0.000 1.655 23 I HN 0.049 nan 8.210 nan 0.000 0.645 24 N N 1.009 119.655 118.700 -0.090 0.000 2.381 24 N HA 0.131 4.870 4.740 -0.001 0.000 0.241 24 N C 1.012 176.500 175.510 -0.036 0.000 1.279 24 N CA 1.046 54.063 53.050 -0.055 0.000 0.896 24 N CB 1.519 39.979 38.487 -0.044 0.000 1.118 24 N HN 0.344 nan 8.380 nan 0.000 0.438 25 A N 2.957 125.764 122.820 -0.021 0.000 2.288 25 A HA 0.187 4.507 4.320 -0.001 0.000 0.216 25 A C 1.990 179.578 177.584 0.005 0.000 1.199 25 A CA -0.011 52.019 52.037 -0.012 0.000 0.891 25 A CB 0.132 19.122 19.000 -0.017 0.000 0.923 25 A HN 0.666 nan 8.150 nan 0.000 0.500 26 L N 0.061 121.294 121.223 0.017 0.000 2.298 26 L HA -0.048 4.292 4.340 -0.001 0.000 0.209 26 L C 2.825 179.756 176.870 0.101 0.000 1.084 26 L CA 1.188 56.059 54.840 0.052 0.000 0.816 26 L CB -0.097 41.979 42.059 0.027 0.000 0.967 26 L HN 0.533 nan 8.230 nan 0.000 0.460 27 S N -0.357 115.380 115.700 0.062 0.000 2.382 27 S HA -0.172 4.298 4.470 -0.001 0.000 0.228 27 S C 1.560 176.195 174.600 0.058 0.000 1.027 27 S CA 1.560 59.798 58.200 0.063 0.000 0.991 27 S CB -0.549 62.668 63.200 0.028 0.000 0.823 27 S HN 0.386 nan 8.310 nan 0.000 0.469 28 N N 1.823 120.550 118.700 0.045 0.000 2.457 28 N HA 0.043 4.782 4.740 -0.001 0.000 0.180 28 N C 1.780 177.312 175.510 0.036 0.000 1.050 28 N CA 0.937 54.014 53.050 0.045 0.000 0.906 28 N CB -0.249 38.255 38.487 0.028 0.000 0.968 28 N HN 0.705 nan 8.380 nan 0.000 0.445 29 S N -0.655 115.070 115.700 0.042 0.000 2.481 29 S HA 0.004 4.474 4.470 -0.001 0.000 0.231 29 S C 1.544 176.172 174.600 0.048 0.000 0.996 29 S CA 0.377 58.593 58.200 0.026 0.000 0.942 29 S CB -0.048 63.191 63.200 0.065 0.000 0.768 29 S HN 0.226 nan 8.310 nan 0.000 0.520 30 L N 0.058 121.311 121.223 0.049 0.000 2.379 30 L HA 0.594 4.934 4.340 -0.001 0.000 0.190 30 L C 0.240 177.182 176.870 0.120 0.000 1.111 30 L CA 0.643 55.514 54.840 0.052 0.000 0.820 30 L CB 0.063 41.963 42.059 -0.264 0.000 1.046 30 L HN 0.504 nan 8.230 nan 0.000 0.485 31 L N -0.593 120.685 121.223 0.092 0.000 2.365 31 L HA 0.414 4.753 4.340 -0.001 0.000 0.273 31 L C 0.661 177.609 176.870 0.129 0.000 1.000 31 L CA -0.424 54.495 54.840 0.132 0.000 0.819 31 L CB 1.644 43.786 42.059 0.138 0.000 1.284 31 L HN 0.196 nan 8.230 nan 0.000 0.418 32 R N 0.780 121.361 120.500 0.135 0.000 2.250 32 R HA 0.151 4.490 4.340 -0.001 0.000 0.194 32 R C -0.011 176.260 176.300 -0.049 0.000 0.927 32 R CA 0.026 56.149 56.100 0.039 0.000 1.052 32 R CB 0.243 30.512 30.300 -0.051 0.000 1.055 32 R HN 0.733 nan 8.270 nan 0.000 0.537 33 H N 1.727 120.807 119.070 0.015 0.000 2.768 33 H HA 0.062 4.618 4.556 -0.001 0.000 0.219 33 H C 0.886 176.166 175.328 -0.081 0.000 1.898 33 H CA 0.038 56.040 56.048 -0.077 0.000 1.313 33 H CB -0.156 29.584 29.762 -0.036 0.000 1.701 33 H HN 0.320 nan 8.280 nan 0.000 0.534 34 H N -0.199 118.946 119.070 0.125 0.000 2.492 34 H HA -0.134 4.421 4.556 -0.001 0.000 0.296 34 H C 0.472 175.890 175.328 0.151 0.000 1.095 34 H CA 0.989 57.112 56.048 0.125 0.000 1.281 34 H CB 0.204 30.010 29.762 0.073 0.000 1.374 34 H HN 0.417 nan 8.280 nan 0.000 0.545 35 N N 0.902 119.518 118.700 -0.140 0.000 2.515 35 N HA 0.018 4.757 4.740 -0.001 0.000 0.185 35 N C 1.655 177.235 175.510 0.117 0.000 1.109 35 N CA 0.325 53.400 53.050 0.041 0.000 0.903 35 N CB 0.303 38.754 38.487 -0.060 0.000 0.969 35 N HN 0.471 nan 8.380 nan 0.000 0.450 36 L N 0.359 121.664 121.223 0.136 0.000 2.585 36 L HA 0.181 4.520 4.340 -0.001 0.000 0.226 36 L C 0.305 177.337 176.870 0.269 0.000 1.113 36 L CA 0.107 55.046 54.840 0.165 0.000 0.876 36 L CB 0.263 42.388 42.059 0.109 0.000 1.072 36 L HN -0.168 nan 8.230 nan 0.000 0.468 37 V N 0.083 120.171 119.914 0.291 0.000 2.644 37 V HA 0.356 4.476 4.120 -0.001 0.000 0.295 37 V C -0.506 175.862 176.094 0.456 0.000 1.053 37 V CA -0.538 61.955 62.300 0.321 0.000 0.987 37 V CB 1.027 33.046 31.823 0.327 0.000 1.006 37 V HN 0.278 nan 8.190 nan 0.000 0.472 38 Y N 1.088 121.506 120.300 0.197 0.000 2.702 38 Y HA 0.717 5.266 4.550 -0.001 0.000 0.336 38 Y C -0.859 175.010 175.900 -0.052 0.000 1.203 38 Y CA -0.882 57.320 58.100 0.170 0.000 1.072 38 Y CB 1.365 39.917 38.460 0.154 0.000 1.327 38 Y HN 0.492 nan 8.280 nan 0.000 0.456 39 S N 0.879 116.561 115.700 -0.031 0.000 2.568 39 S HA 0.728 5.197 4.470 -0.001 0.000 0.302 39 S C -0.702 173.964 174.600 0.111 0.000 1.082 39 S CA -0.108 57.926 58.200 -0.276 0.000 1.009 39 S CB 1.194 64.075 63.200 -0.532 0.000 1.069 39 S HN 1.104 nan 8.310 nan 0.000 0.500 40 T N 0.900 115.503 114.554 0.081 0.000 2.913 40 T HA 0.670 5.020 4.350 -0.001 0.000 0.287 40 T C 0.154 174.915 174.700 0.102 0.000 1.008 40 T CA -0.457 61.750 62.100 0.178 0.000 1.067 40 T CB 1.054 70.044 68.868 0.203 0.000 0.996 40 T HN 0.781 nan 8.240 nan 0.000 0.513 41 T N -2.083 112.533 114.554 0.103 0.000 2.864 41 T HA 0.447 4.797 4.350 -0.001 0.000 0.299 41 T C 1.222 175.956 174.700 0.057 0.000 1.166 41 T CA -0.260 61.886 62.100 0.077 0.000 1.007 41 T CB 1.314 70.233 68.868 0.084 0.000 1.219 41 T HN 0.736 nan 8.240 nan 0.000 0.506 42 S N 0.301 116.028 115.700 0.045 0.000 2.520 42 S HA -0.129 4.340 4.470 -0.001 0.000 0.249 42 S C 1.744 176.351 174.600 0.013 0.000 0.983 42 S CA 0.520 58.735 58.200 0.026 0.000 0.958 42 S CB -0.647 62.569 63.200 0.026 0.000 0.750 42 S HN 0.739 nan 8.310 nan 0.000 0.527 43 R N 1.378 121.893 120.500 0.024 0.000 2.115 43 R HA -0.040 4.300 4.340 -0.001 0.000 0.230 43 R C 2.315 178.616 176.300 0.001 0.000 1.111 43 R CA 1.529 57.637 56.100 0.014 0.000 0.976 43 R CB -0.289 30.027 30.300 0.027 0.000 0.870 43 R HN 0.699 nan 8.270 nan 0.000 0.445 44 S N -0.866 114.840 115.700 0.009 0.000 2.556 44 S HA 0.181 4.650 4.470 -0.001 0.000 0.216 44 S C 1.830 176.415 174.600 -0.024 0.000 0.970 44 S CA 0.275 58.474 58.200 -0.003 0.000 0.912 44 S CB 0.786 63.998 63.200 0.019 0.000 0.790 44 S HN 0.283 nan 8.310 nan 0.000 0.504 45 A N 2.957 125.758 122.820 -0.032 0.000 1.927 45 A HA -0.156 4.163 4.320 -0.001 0.000 0.220 45 A C 2.514 180.017 177.584 -0.135 0.000 1.185 45 A CA 2.298 54.294 52.037 -0.068 0.000 0.639 45 A CB -1.510 17.449 19.000 -0.068 0.000 0.820 45 A HN 0.936 nan 8.150 nan 0.000 0.451 46 S N -0.098 115.517 115.700 -0.142 0.000 2.419 46 S HA -0.082 4.387 4.470 -0.001 0.000 0.233 46 S C 1.825 176.330 174.600 -0.159 0.000 1.016 46 S CA 1.408 59.489 58.200 -0.198 0.000 0.974 46 S CB -0.713 62.391 63.200 -0.160 0.000 0.786 46 S HN 0.490 nan 8.310 nan 0.000 0.492 47 L N 0.574 121.740 121.223 -0.094 0.000 2.093 47 L HA 0.021 4.361 4.340 -0.001 0.000 0.208 47 L C 3.053 179.894 176.870 -0.048 0.000 1.085 47 L CA 1.468 56.272 54.840 -0.060 0.000 0.755 47 L CB -0.514 41.524 42.059 -0.036 0.000 0.904 47 L HN 0.318 nan 8.230 nan 0.000 0.435 48 R N 0.628 121.097 120.500 -0.052 0.000 2.092 48 R HA -0.157 4.182 4.340 -0.001 0.000 0.231 48 R C 2.202 178.477 176.300 -0.041 0.000 1.119 48 R CA 1.490 57.578 56.100 -0.020 0.000 0.970 48 R CB -0.357 29.937 30.300 -0.010 0.000 0.864 48 R HN 0.370 nan 8.270 nan 0.000 0.440 49 Q N -0.042 119.654 119.800 -0.174 0.000 2.061 49 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 49 Q C 2.004 177.944 176.000 -0.100 0.000 0.984 49 Q CA 2.075 57.690 55.803 -0.312 0.000 0.846 49 Q CB -0.134 28.141 28.738 -0.772 0.000 0.902 49 Q HN 0.161 nan 8.270 nan 0.000 0.421 50 K N 0.995 121.349 120.400 -0.077 0.000 2.001 50 K HA -0.184 4.135 4.320 -0.001 0.000 0.214 50 K C 1.903 178.587 176.600 0.139 0.000 1.050 50 K CA 1.622 57.927 56.287 0.029 0.000 0.934 50 K CB -0.030 32.476 32.500 0.010 0.000 0.718 50 K HN 0.044 nan 8.250 nan 0.000 0.443 51 K N -0.035 120.441 120.400 0.127 0.000 2.034 51 K HA -0.169 4.151 4.320 -0.001 0.000 0.214 51 K C 1.846 178.670 176.600 0.373 0.000 1.051 51 K CA 1.914 58.323 56.287 0.204 0.000 0.931 51 K CB -0.451 32.134 32.500 0.142 0.000 0.715 51 K HN 0.233 nan 8.250 nan 0.000 0.446 52 V N -0.825 119.278 119.914 0.315 0.000 3.510 52 V HA -0.006 4.114 4.120 -0.001 0.000 0.270 52 V C 0.294 176.530 176.094 0.236 0.000 1.201 52 V CA 0.652 63.166 62.300 0.356 0.000 1.166 52 V CB -0.450 31.600 31.823 0.378 0.000 0.825 52 V HN 0.038 nan 8.190 nan 0.000 0.484 53 T N 4.214 118.959 114.554 0.319 0.000 2.853 53 T HA 0.711 5.061 4.350 -0.001 0.000 0.317 53 T C -0.756 174.096 174.700 0.253 0.000 1.059 53 T CA -0.089 62.169 62.100 0.263 0.000 0.954 53 T CB 0.085 69.233 68.868 0.467 0.000 0.994 53 T HN 0.613 nan 8.240 nan 0.000 0.479 54 F N -0.470 119.574 119.950 0.157 0.000 2.713 54 F HA 0.672 5.198 4.527 -0.001 0.000 0.311 54 F C -0.828 175.004 175.800 0.054 0.000 1.141 54 F CA -1.644 56.412 58.000 0.094 0.000 0.939 54 F CB 0.682 39.727 39.000 0.075 0.000 1.325 54 F HN 0.123 nan 8.300 nan 0.000 0.453 55 D N 0.765 121.335 120.400 0.283 0.000 2.341 55 D HA 0.396 5.036 4.640 -0.001 0.000 0.245 55 D C -0.862 175.574 176.300 0.226 0.000 1.106 55 D CA -0.016 54.079 54.000 0.157 0.000 0.905 55 D CB 1.004 41.869 40.800 0.108 0.000 1.202 55 D HN 0.580 nan 8.370 nan 0.000 0.426 56 R N 1.557 122.126 120.500 0.114 0.000 2.494 56 R HA 0.525 4.864 4.340 -0.001 0.000 0.305 56 R C -0.810 175.520 176.300 0.051 0.000 0.959 56 R CA -0.713 55.456 56.100 0.114 0.000 0.864 56 R CB 1.590 31.926 30.300 0.059 0.000 1.159 56 R HN 0.388 nan 8.270 nan 0.000 0.446 57 L N 1.989 123.238 121.223 0.043 0.000 2.313 57 L HA 0.542 4.882 4.340 -0.001 0.000 0.283 57 L C -1.119 175.750 176.870 -0.002 0.000 1.013 57 L CA -0.283 54.564 54.840 0.012 0.000 0.816 57 L CB 1.406 43.469 42.059 0.007 0.000 1.236 57 L HN 0.646 nan 8.230 nan 0.000 0.419 58 Q N 3.992 123.781 119.800 -0.018 0.000 2.285 58 Q HA 0.595 4.934 4.340 -0.001 0.000 0.269 58 Q C -2.065 173.909 176.000 -0.044 0.000 1.030 58 Q CA -0.730 55.055 55.803 -0.030 0.000 0.788 58 Q CB 2.520 31.228 28.738 -0.050 0.000 1.266 58 Q HN 0.599 nan 8.270 nan 0.000 0.438 59 V N 5.664 125.558 119.914 -0.033 0.000 2.419 59 V HA 0.355 4.475 4.120 -0.001 0.000 0.287 59 V C -0.097 175.992 176.094 -0.009 0.000 1.017 59 V CA -0.629 61.649 62.300 -0.036 0.000 0.844 59 V CB 1.191 32.995 31.823 -0.033 0.000 1.011 59 V HN 0.792 nan 8.190 nan 0.000 0.429 60 L N 4.277 125.445 121.223 -0.092 0.000 2.475 60 L HA 0.667 5.007 4.340 -0.001 0.000 0.253 60 L C 0.074 176.966 176.870 0.037 0.000 1.198 60 L CA -0.081 54.669 54.840 -0.151 0.000 0.814 60 L CB 0.954 42.798 42.059 -0.357 0.000 1.134 60 L HN 0.844 nan 8.230 nan 0.000 0.478 61 D N -2.574 117.912 120.400 0.144 0.000 2.692 61 D HA 0.108 4.748 4.640 -0.001 0.000 0.303 61 D C -0.084 176.308 176.300 0.153 0.000 1.278 61 D CA -0.598 53.488 54.000 0.144 0.000 0.852 61 D CB 0.460 41.357 40.800 0.161 0.000 1.375 61 D HN 0.306 nan 8.370 nan 0.000 0.453 62 D N -1.001 119.429 120.400 0.049 0.000 2.158 62 D HA -0.180 4.459 4.640 -0.001 0.000 0.197 62 D C 1.527 177.829 176.300 0.004 0.000 0.995 62 D CA 1.331 55.320 54.000 -0.017 0.000 0.846 62 D CB -0.158 40.567 40.800 -0.126 0.000 0.941 62 D HN 0.412 nan 8.370 nan 0.000 0.456 63 H N -0.690 118.457 119.070 0.128 0.000 2.387 63 H HA -0.132 4.423 4.556 -0.001 0.000 0.299 63 H C 1.991 177.377 175.328 0.098 0.000 1.090 63 H CA 0.867 56.985 56.048 0.117 0.000 1.332 63 H CB -0.464 29.394 29.762 0.159 0.000 1.386 63 H HN 0.311 nan 8.280 nan 0.000 0.516 64 Y N 2.097 122.464 120.300 0.112 0.000 2.070 64 Y HA -0.223 4.327 4.550 -0.000 0.000 0.279 64 Y C 2.682 178.542 175.900 -0.067 0.000 1.134 64 Y CA 1.643 59.677 58.100 -0.110 0.000 1.113 64 Y CB -0.118 38.194 38.460 -0.246 0.000 0.981 64 Y HN -0.051 nan 8.280 nan 0.000 0.487 65 R N 0.209 120.785 120.500 0.126 0.000 2.117 65 R HA -0.191 4.148 4.340 -0.001 0.000 0.243 65 R C 1.763 178.037 176.300 -0.044 0.000 1.143 65 R CA 1.553 57.667 56.100 0.024 0.000 0.968 65 R CB -0.468 29.876 30.300 0.074 0.000 0.863 65 R HN 0.457 nan 8.270 nan 0.000 0.444 66 D N 0.220 120.613 120.400 -0.011 0.000 2.097 66 D HA -0.102 4.537 4.640 -0.001 0.000 0.197 66 D C 2.064 178.346 176.300 -0.030 0.000 0.984 66 D CA 1.126 55.122 54.000 -0.007 0.000 0.826 66 D CB -0.203 40.615 40.800 0.030 0.000 0.973 66 D HN 0.012 nan 8.370 nan 0.000 0.460 67 V N 1.483 121.363 119.914 -0.056 0.000 2.343 67 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 67 V C 2.499 178.530 176.094 -0.106 0.000 1.051 67 V CA 1.025 63.282 62.300 -0.072 0.000 1.036 67 V CB -0.508 31.241 31.823 -0.125 0.000 0.654 67 V HN 0.125 nan 8.190 nan 0.000 0.451 68 L N 0.904 121.989 121.223 -0.229 0.000 1.971 68 L HA -0.231 4.108 4.340 -0.001 0.000 0.215 68 L C 2.459 179.263 176.870 -0.111 0.000 1.072 68 L CA 2.516 57.218 54.840 -0.230 0.000 0.758 68 L CB -1.006 40.847 42.059 -0.342 0.000 0.889 68 L HN 0.320 nan 8.230 nan 0.000 0.433 69 K N -0.570 119.780 120.400 -0.082 0.000 2.113 69 K HA -0.242 4.077 4.320 -0.001 0.000 0.208 69 K C 1.890 178.473 176.600 -0.028 0.000 1.047 69 K CA 2.047 58.308 56.287 -0.044 0.000 0.928 69 K CB -0.166 32.317 32.500 -0.027 0.000 0.716 69 K HN 0.601 nan 8.250 nan 0.000 0.446 70 E N 0.105 120.294 120.200 -0.019 0.000 2.106 70 E HA -0.173 4.176 4.350 -0.001 0.000 0.192 70 E C 2.127 178.728 176.600 0.002 0.000 0.984 70 E CA 1.417 57.819 56.400 0.003 0.000 0.806 70 E CB -0.082 29.634 29.700 0.026 0.000 0.750 70 E HN 0.382 nan 8.360 nan 0.000 0.458 71 M N 0.811 120.409 119.600 -0.003 0.000 2.067 71 M HA -0.173 4.307 4.480 -0.001 0.000 0.260 71 M C 2.198 178.476 176.300 -0.038 0.000 1.069 71 M CA 1.543 56.833 55.300 -0.017 0.000 1.117 71 M CB -0.225 32.364 32.600 -0.017 0.000 1.334 71 M HN -0.063 nan 8.290 nan 0.000 0.407 72 K N 0.510 120.885 120.400 -0.041 0.000 2.044 72 K HA -0.175 4.145 4.320 -0.001 0.000 0.210 72 K C 2.135 178.721 176.600 -0.025 0.000 1.049 72 K CA 1.634 57.899 56.287 -0.036 0.000 0.927 72 K CB -0.481 31.998 32.500 -0.036 0.000 0.713 72 K HN 0.333 nan 8.250 nan 0.000 0.443 73 A N 2.067 124.875 122.820 -0.020 0.000 1.873 73 A HA -0.260 4.060 4.320 -0.001 0.000 0.218 73 A C 1.970 179.544 177.584 -0.016 0.000 1.193 73 A CA 1.932 53.961 52.037 -0.013 0.000 0.629 73 A CB -0.459 18.536 19.000 -0.007 0.000 0.826 73 A HN 0.247 nan 8.150 nan 0.000 0.447 74 K N -0.602 119.785 120.400 -0.022 0.000 2.147 74 K HA -0.039 4.280 4.320 -0.001 0.000 0.205 74 K C 2.200 178.777 176.600 -0.037 0.000 1.049 74 K CA 0.997 57.265 56.287 -0.031 0.000 0.936 74 K CB -0.279 32.194 32.500 -0.044 0.000 0.722 74 K HN 0.483 nan 8.250 nan 0.000 0.446 75 A N 1.341 124.139 122.820 -0.037 0.000 1.968 75 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 75 A C 2.063 179.638 177.584 -0.015 0.000 1.169 75 A CA 1.668 53.687 52.037 -0.030 0.000 0.638 75 A CB -0.487 18.500 19.000 -0.023 0.000 0.812 75 A HN 0.363 nan 8.150 nan 0.000 0.446 76 S N -0.018 115.675 115.700 -0.012 0.000 2.537 76 S HA -0.105 4.365 4.470 -0.001 0.000 0.240 76 S C 1.402 175.999 174.600 -0.005 0.000 0.981 76 S CA 1.595 59.792 58.200 -0.005 0.000 0.948 76 S CB -1.088 62.109 63.200 -0.004 0.000 0.759 76 S HN 0.778 nan 8.310 nan 0.000 0.531 77 T N -1.256 113.291 114.554 -0.011 0.000 3.145 77 T HA 0.450 4.800 4.350 -0.001 0.000 0.255 77 T C 0.092 174.784 174.700 -0.014 0.000 1.039 77 T CA -0.444 61.649 62.100 -0.011 0.000 0.928 77 T CB -0.064 68.796 68.868 -0.014 0.000 1.029 77 T HN 0.146 nan 8.240 nan 0.000 0.554 78 V N 1.501 121.406 119.914 -0.014 0.000 2.459 78 V HA 0.524 4.644 4.120 -0.001 0.000 0.295 78 V C -0.304 175.787 176.094 -0.005 0.000 1.029 78 V CA -1.052 61.239 62.300 -0.016 0.000 0.874 78 V CB 1.889 33.696 31.823 -0.028 0.000 0.985 78 V HN 0.339 nan 8.190 nan 0.000 0.438 79 K N 3.483 123.881 120.400 -0.004 0.000 2.358 79 K HA 0.804 5.123 4.320 -0.001 0.000 0.260 79 K C -0.650 175.954 176.600 0.006 0.000 0.956 79 K CA -0.355 55.935 56.287 0.005 0.000 0.834 79 K CB 1.575 34.080 32.500 0.007 0.000 1.102 79 K HN 0.837 nan 8.250 nan 0.000 0.431 80 A N 3.954 126.782 122.820 0.013 0.000 2.355 80 A HA 0.545 4.865 4.320 -0.001 0.000 0.324 80 A C -1.133 176.470 177.584 0.031 0.000 1.117 80 A CA -0.898 51.149 52.037 0.017 0.000 0.785 80 A CB 0.909 19.913 19.000 0.008 0.000 1.254 80 A HN 0.840 nan 8.150 nan 0.000 0.453 81 K N 1.575 121.998 120.400 0.038 0.000 2.185 81 K HA 0.799 5.119 4.320 -0.001 0.000 0.240 81 K C -1.005 175.627 176.600 0.053 0.000 0.983 81 K CA -0.722 55.590 56.287 0.041 0.000 0.873 81 K CB 1.151 33.670 32.500 0.031 0.000 1.118 81 K HN 0.509 nan 8.250 nan 0.000 0.441 82 L N 1.432 122.680 121.223 0.042 0.000 2.439 82 L HA 0.332 4.671 4.340 -0.001 0.000 0.261 82 L C -0.193 176.672 176.870 -0.009 0.000 1.153 82 L CA -0.994 53.866 54.840 0.034 0.000 0.808 82 L CB 0.697 42.767 42.059 0.018 0.000 1.126 82 L HN 0.476 nan 8.230 nan 0.000 0.460 83 L N 1.196 122.393 121.223 -0.043 0.000 2.307 83 L HA 0.304 4.644 4.340 -0.001 0.000 0.284 83 L C 0.284 177.061 176.870 -0.156 0.000 1.023 83 L CA -0.474 54.321 54.840 -0.076 0.000 0.810 83 L CB 1.958 43.978 42.059 -0.066 0.000 1.231 83 L HN 0.705 nan 8.230 nan 0.000 0.423 84 S N 1.881 117.498 115.700 -0.139 0.000 2.572 84 S HA 0.085 4.555 4.470 -0.001 0.000 0.279 84 S C 1.285 175.777 174.600 -0.180 0.000 1.341 84 S CA -0.863 57.238 58.200 -0.164 0.000 1.043 84 S CB 1.426 64.555 63.200 -0.118 0.000 0.887 84 S HN 0.373 nan 8.310 nan 0.000 0.516 85 V N 2.578 122.366 119.914 -0.211 0.000 2.313 85 V HA -0.263 3.857 4.120 -0.001 0.000 0.253 85 V C 2.714 178.730 176.094 -0.129 0.000 1.070 85 V CA 2.572 64.762 62.300 -0.183 0.000 1.057 85 V CB -1.383 30.337 31.823 -0.173 0.000 0.653 85 V HN 1.074 nan 8.190 nan 0.000 0.450 86 E N 0.137 120.268 120.200 -0.116 0.000 2.023 86 E HA -0.277 4.072 4.350 -0.001 0.000 0.196 86 E C 2.217 178.758 176.600 -0.099 0.000 1.003 86 E CA 1.813 58.157 56.400 -0.094 0.000 0.809 86 E CB -0.213 29.439 29.700 -0.081 0.000 0.755 86 E HN 0.713 nan 8.360 nan 0.000 0.449 87 E N 0.164 120.299 120.200 -0.108 0.000 2.065 87 E HA -0.290 4.060 4.350 -0.001 0.000 0.201 87 E C 2.073 178.579 176.600 -0.155 0.000 1.016 87 E CA 1.277 57.603 56.400 -0.123 0.000 0.818 87 E CB -0.272 29.355 29.700 -0.121 0.000 0.749 87 E HN 0.426 nan 8.360 nan 0.000 0.453 88 A N 0.743 123.471 122.820 -0.153 0.000 1.883 88 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 88 A C 2.473 179.985 177.584 -0.120 0.000 1.186 88 A CA 1.551 53.498 52.037 -0.151 0.000 0.624 88 A CB -1.082 17.852 19.000 -0.111 0.000 0.822 88 A HN 0.436 nan 8.150 nan 0.000 0.444 89 C N -0.514 118.730 119.300 -0.094 0.000 2.403 89 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 89 C C 2.711 177.650 174.990 -0.085 0.000 1.248 89 C CA 1.430 60.404 59.018 -0.072 0.000 1.762 89 C CB -1.025 26.677 27.740 -0.063 0.000 2.014 89 C HN 0.560 nan 8.230 nan 0.000 0.486 90 K N 0.205 120.550 120.400 -0.093 0.000 2.211 90 K HA 0.005 4.325 4.320 -0.001 0.000 0.203 90 K C 1.408 177.970 176.600 -0.064 0.000 1.050 90 K CA 0.907 57.148 56.287 -0.076 0.000 0.945 90 K CB -0.212 32.250 32.500 -0.062 0.000 0.732 90 K HN 0.541 nan 8.250 nan 0.000 0.451 91 L N 1.306 122.459 121.223 -0.117 0.000 2.650 91 L HA -0.005 4.334 4.340 -0.001 0.000 0.235 91 L C 0.312 177.121 176.870 -0.101 0.000 1.149 91 L CA 0.232 54.994 54.840 -0.131 0.000 0.887 91 L CB -0.247 41.633 42.059 -0.299 0.000 1.021 91 L HN -0.048 nan 8.230 nan 0.000 0.441 92 T N 0.853 115.343 114.554 -0.107 0.000 2.806 92 T HA 0.281 4.631 4.350 -0.001 0.000 0.290 92 T C -2.377 172.176 174.700 -0.245 0.000 0.966 92 T CA -1.287 60.730 62.100 -0.137 0.000 1.060 92 T CB 1.394 70.196 68.868 -0.110 0.000 0.927 92 T HN -0.187 nan 8.240 nan 0.000 0.485 93 P HA 0.214 nan 4.420 nan 0.000 0.276 93 P C -1.891 175.087 177.300 -0.537 0.000 1.243 93 P CA -1.473 61.338 63.100 -0.481 0.000 0.768 93 P CB 0.538 31.934 31.700 -0.506 0.000 0.856 94 P HA -0.254 nan 4.420 nan 0.000 0.219 94 P C 1.044 178.262 177.300 -0.136 0.000 1.153 94 P CA 1.759 64.697 63.100 -0.269 0.000 0.865 94 P CB -0.395 31.194 31.700 -0.185 0.000 0.788 95 H N -3.374 115.630 119.070 -0.110 0.000 2.539 95 H HA 0.256 4.811 4.556 -0.001 0.000 0.269 95 H C 0.599 175.883 175.328 -0.074 0.000 0.980 95 H CA 0.016 56.022 56.048 -0.070 0.000 1.152 95 H CB -0.612 29.122 29.762 -0.047 0.000 1.407 95 H HN -0.028 nan 8.280 nan 0.000 0.564 96 S N 1.169 116.670 115.700 -0.332 0.000 2.573 96 S HA 0.190 4.659 4.470 -0.001 0.000 0.297 96 S C 0.688 175.220 174.600 -0.114 0.000 1.280 96 S CA -0.060 58.005 58.200 -0.224 0.000 1.061 96 S CB -0.142 62.931 63.200 -0.212 0.000 0.812 96 S HN 0.685 nan 8.310 nan 0.000 0.500 97 A N 5.157 127.913 122.820 -0.106 0.000 2.584 97 A HA 0.144 4.463 4.320 -0.001 0.000 0.239 97 A C 0.591 178.137 177.584 -0.064 0.000 1.043 97 A CA 0.241 52.237 52.037 -0.069 0.000 0.756 97 A CB -0.269 18.688 19.000 -0.072 0.000 0.963 97 A HN 0.882 nan 8.150 nan 0.000 0.511 98 K N 2.707 123.064 120.400 -0.072 0.000 2.436 98 K HA 0.292 4.612 4.320 -0.001 0.000 0.275 98 K C 0.363 176.842 176.600 -0.202 0.000 0.999 98 K CA 0.240 56.449 56.287 -0.131 0.000 0.980 98 K CB 0.471 32.908 32.500 -0.106 0.000 0.919 98 K HN 0.474 nan 8.250 nan 0.000 0.484 99 S N 1.034 116.490 115.700 -0.406 0.000 2.568 99 S HA -0.040 4.429 4.470 -0.001 0.000 0.282 99 S C 0.811 175.164 174.600 -0.411 0.000 1.338 99 S CA -0.385 57.512 58.200 -0.505 0.000 1.045 99 S CB 0.670 63.145 63.200 -1.208 0.000 0.873 99 S HN 0.824 nan 8.310 nan 0.000 0.516 100 K N 2.848 122.997 120.400 -0.418 0.000 2.487 100 K HA 0.090 4.410 4.320 -0.001 0.000 0.192 100 K C -0.188 176.038 176.600 -0.623 0.000 1.027 100 K CA 0.541 56.531 56.287 -0.495 0.000 1.054 100 K CB -0.084 32.068 32.500 -0.581 0.000 0.824 100 K HN 0.742 nan 8.250 nan 0.000 0.510 101 F N 0.994 120.789 119.950 -0.259 0.000 2.916 101 F HA 0.273 4.799 4.527 -0.001 0.000 0.294 101 F C 0.636 176.409 175.800 -0.044 0.000 1.189 101 F CA -0.162 57.729 58.000 -0.181 0.000 1.369 101 F CB 0.773 39.537 39.000 -0.393 0.000 0.961 101 F HN 0.043 nan 8.300 nan 0.000 0.508 102 G N 1.872 110.676 108.800 0.007 0.000 2.487 102 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.243 102 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.243 102 G C -0.894 174.155 174.900 0.249 0.000 0.918 102 G CA 0.270 45.419 45.100 0.082 0.000 1.260 102 G HN 0.980 nan 8.290 nan 0.000 0.408 103 Y N -2.067 118.230 120.300 -0.004 0.000 2.691 103 Y HA 0.467 5.017 4.550 -0.001 0.000 0.377 103 Y C 0.187 176.085 175.900 -0.004 0.000 1.283 103 Y CA -0.565 57.535 58.100 -0.001 0.000 1.612 103 Y CB -0.329 38.135 38.460 0.007 0.000 1.410 103 Y HN 1.431 nan 8.280 nan 0.000 0.551 104 G N 0.824 109.684 108.800 0.100 0.000 3.251 104 G HA2 0.671 4.631 3.960 -0.001 0.000 0.248 104 G HA3 0.671 4.631 3.960 -0.001 0.000 0.248 104 G C 0.636 175.576 174.900 0.066 0.000 1.320 104 G CA -0.661 44.438 45.100 -0.003 0.000 0.982 104 G HN 1.533 nan 8.290 nan 0.000 0.575 105 A N -0.274 122.544 122.820 -0.004 0.000 1.903 105 A HA -0.150 4.170 4.320 -0.001 0.000 0.219 105 A C 2.169 179.740 177.584 -0.020 0.000 1.191 105 A CA 2.598 54.617 52.037 -0.029 0.000 0.638 105 A CB -0.637 18.312 19.000 -0.085 0.000 0.823 105 A HN 0.593 nan 8.150 nan 0.000 0.451 106 K N -0.806 119.587 120.400 -0.012 0.000 2.025 106 K HA -0.185 4.134 4.320 -0.001 0.000 0.207 106 K C 1.537 178.141 176.600 0.007 0.000 1.049 106 K CA 1.584 57.862 56.287 -0.016 0.000 0.933 106 K CB -0.218 32.276 32.500 -0.009 0.000 0.714 106 K HN 0.444 nan 8.250 nan 0.000 0.438 107 D N 0.307 120.737 120.400 0.049 0.000 2.116 107 D HA -0.179 4.461 4.640 -0.001 0.000 0.193 107 D C 1.950 178.273 176.300 0.038 0.000 0.998 107 D CA 1.265 55.300 54.000 0.058 0.000 0.836 107 D CB -0.414 40.470 40.800 0.141 0.000 0.951 107 D HN 0.053 nan 8.370 nan 0.000 0.449 108 V N 0.862 120.831 119.914 0.091 0.000 2.295 108 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 108 V C 2.479 178.568 176.094 -0.009 0.000 1.049 108 V CA 1.562 63.898 62.300 0.061 0.000 1.024 108 V CB -0.361 31.534 31.823 0.119 0.000 0.648 108 V HN 0.136 nan 8.190 nan 0.000 0.447 109 R N 0.679 121.160 120.500 -0.032 0.000 2.148 109 R HA -0.074 4.266 4.340 -0.001 0.000 0.227 109 R C 2.134 178.402 176.300 -0.052 0.000 1.103 109 R CA 1.476 57.537 56.100 -0.065 0.000 0.983 109 R CB -0.314 29.923 30.300 -0.105 0.000 0.874 109 R HN 0.659 nan 8.270 nan 0.000 0.451 110 S N 0.459 116.137 115.700 -0.038 0.000 2.660 110 S HA 0.137 4.606 4.470 -0.001 0.000 0.227 110 S C 0.847 175.424 174.600 -0.037 0.000 0.948 110 S CA -0.263 57.917 58.200 -0.034 0.000 0.948 110 S CB -0.252 62.933 63.200 -0.025 0.000 0.779 110 S HN 0.322 nan 8.310 nan 0.000 0.487 111 L N 1.423 122.619 121.223 -0.044 0.000 3.839 111 L HA -0.211 4.129 4.340 -0.001 0.000 0.416 111 L C 0.865 177.700 176.870 -0.059 0.000 1.195 111 L CA 0.362 55.169 54.840 -0.054 0.000 0.946 111 L CB -3.011 39.016 42.059 -0.052 0.000 1.891 111 L HN 0.750 nan 8.230 nan 0.000 0.963 112 S N -1.351 114.315 115.700 -0.058 0.000 2.560 112 S HA 0.095 4.565 4.470 -0.001 0.000 0.276 112 S C 1.424 175.971 174.600 -0.087 0.000 1.350 112 S CA 0.294 58.457 58.200 -0.062 0.000 1.024 112 S CB 1.547 64.714 63.200 -0.056 0.000 0.864 112 S HN 0.305 nan 8.310 nan 0.000 0.536 113 S N 2.245 117.901 115.700 -0.074 0.000 2.344 113 S HA -0.117 4.352 4.470 -0.001 0.000 0.217 113 S C 1.943 176.475 174.600 -0.113 0.000 1.033 113 S CA 1.224 59.378 58.200 -0.077 0.000 1.017 113 S CB -0.668 62.501 63.200 -0.053 0.000 0.941 113 S HN 0.792 nan 8.310 nan 0.000 0.430 114 R N 1.131 121.560 120.500 -0.119 0.000 2.136 114 R HA -0.229 4.111 4.340 -0.001 0.000 0.242 114 R C 2.407 178.501 176.300 -0.344 0.000 1.131 114 R CA 1.745 57.746 56.100 -0.164 0.000 0.937 114 R CB -0.680 29.549 30.300 -0.119 0.000 0.863 114 R HN 0.398 nan 8.270 nan 0.000 0.435 115 A N 0.361 122.862 122.820 -0.532 0.000 1.851 115 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 115 A C 2.276 179.635 177.584 -0.374 0.000 1.195 115 A CA 2.245 53.763 52.037 -0.865 0.000 0.622 115 A CB -1.176 17.482 19.000 -0.570 0.000 0.831 115 A HN 0.419 nan 8.150 nan 0.000 0.444 116 V N -1.435 118.354 119.914 -0.209 0.000 2.828 116 V HA -0.235 3.884 4.120 -0.001 0.000 0.260 116 V C 1.689 177.721 176.094 -0.103 0.000 1.101 116 V CA 2.268 64.494 62.300 -0.123 0.000 1.123 116 V CB -1.135 30.628 31.823 -0.100 0.000 0.704 116 V HN 0.488 nan 8.190 nan 0.000 0.493 117 N N 0.244 118.875 118.700 -0.114 0.000 2.132 117 N HA -0.122 4.618 4.740 -0.001 0.000 0.187 117 N C 1.937 177.411 175.510 -0.059 0.000 1.038 117 N CA 1.796 54.800 53.050 -0.075 0.000 0.846 117 N CB -0.752 37.698 38.487 -0.063 0.000 1.012 117 N HN 0.699 nan 8.380 nan 0.000 0.429 118 H N 1.474 120.456 119.070 -0.147 0.000 2.352 118 H HA -0.005 4.550 4.556 -0.001 0.000 0.299 118 H C 2.088 177.394 175.328 -0.038 0.000 1.097 118 H CA 1.168 57.157 56.048 -0.098 0.000 1.311 118 H CB -0.026 29.713 29.762 -0.039 0.000 1.377 118 H HN 0.138 nan 8.280 nan 0.000 0.504 119 I N 0.440 121.027 120.570 0.027 0.000 2.208 119 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 119 I C 2.846 178.965 176.117 0.003 0.000 1.097 119 I CA 1.226 62.552 61.300 0.044 0.000 1.363 119 I CB -0.243 37.785 38.000 0.047 0.000 1.051 119 I HN 0.196 nan 8.210 nan 0.000 0.413 120 R N 0.525 121.006 120.500 -0.032 0.000 2.115 120 R HA -0.129 4.210 4.340 -0.001 0.000 0.230 120 R C 2.600 178.913 176.300 0.022 0.000 1.111 120 R CA 1.689 57.789 56.100 -0.001 0.000 0.976 120 R CB -0.335 29.942 30.300 -0.037 0.000 0.870 120 R HN 0.493 nan 8.270 nan 0.000 0.445 121 S N 0.295 115.943 115.700 -0.086 0.000 2.355 121 S HA -0.090 4.380 4.470 -0.001 0.000 0.222 121 S C 2.152 176.667 174.600 -0.142 0.000 1.031 121 S CA 1.171 59.292 58.200 -0.131 0.000 0.993 121 S CB -0.603 62.461 63.200 -0.228 0.000 0.859 121 S HN 0.046 nan 8.310 nan 0.000 0.453 122 V N 1.223 121.001 119.914 -0.227 0.000 2.332 122 V HA -0.178 3.942 4.120 -0.001 0.000 0.248 122 V C 2.265 178.359 176.094 0.000 0.000 1.055 122 V CA 2.029 64.236 62.300 -0.155 0.000 1.038 122 V CB -1.164 30.587 31.823 -0.118 0.000 0.651 122 V HN 0.708 nan 8.190 nan 0.000 0.450 123 W N 1.423 122.659 121.300 -0.107 0.000 2.332 123 W HA -0.278 4.382 4.660 -0.000 0.000 0.321 123 W C 2.603 179.082 176.519 -0.067 0.000 1.219 123 W CA 2.399 59.704 57.345 -0.067 0.000 1.277 123 W CB -0.325 29.103 29.460 -0.053 0.000 1.161 123 W HN 0.232 nan 8.180 nan 0.000 0.476 124 K N 0.647 121.124 120.400 0.128 0.000 2.074 124 K HA -0.289 4.030 4.320 -0.001 0.000 0.209 124 K C 1.975 178.510 176.600 -0.109 0.000 1.048 124 K CA 2.272 58.563 56.287 0.007 0.000 0.926 124 K CB -0.831 31.693 32.500 0.040 0.000 0.713 124 K HN 0.055 nan 8.250 nan 0.000 0.444 125 D N 0.410 120.746 120.400 -0.108 0.000 2.178 125 D HA -0.161 4.479 4.640 -0.001 0.000 0.201 125 D C 1.899 178.103 176.300 -0.161 0.000 0.980 125 D CA 0.905 54.833 54.000 -0.120 0.000 0.842 125 D CB 0.118 40.851 40.800 -0.112 0.000 0.948 125 D HN 0.316 nan 8.370 nan 0.000 0.472 126 L N 0.212 121.291 121.223 -0.240 0.000 2.093 126 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 126 L C 2.699 179.386 176.870 -0.304 0.000 1.085 126 L CA 0.489 55.153 54.840 -0.294 0.000 0.755 126 L CB -0.248 41.553 42.059 -0.429 0.000 0.904 126 L HN 0.070 nan 8.230 nan 0.000 0.435 127 L N -0.694 120.314 121.223 -0.358 0.000 2.201 127 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 127 L C 2.295 179.072 176.870 -0.154 0.000 1.105 127 L CA 1.105 55.786 54.840 -0.265 0.000 0.775 127 L CB -0.369 41.544 42.059 -0.244 0.000 0.913 127 L HN 0.353 nan 8.230 nan 0.000 0.440 128 E N -1.070 119.051 120.200 -0.131 0.000 2.251 128 E HA -0.022 4.328 4.350 -0.001 0.000 0.194 128 E C 0.259 176.812 176.600 -0.078 0.000 0.964 128 E CA 0.113 56.461 56.400 -0.087 0.000 0.868 128 E CB 0.316 29.975 29.700 -0.068 0.000 0.828 128 E HN 0.200 nan 8.360 nan 0.000 0.481 129 D N 0.936 121.282 120.400 -0.089 0.000 2.308 129 D HA 0.062 4.702 4.640 -0.001 0.000 0.242 129 D C 0.174 176.423 176.300 -0.084 0.000 1.059 129 D CA -0.268 53.689 54.000 -0.073 0.000 0.830 129 D CB 1.609 42.372 40.800 -0.062 0.000 1.161 129 D HN -0.015 nan 8.370 nan 0.000 0.494 130 T N -0.071 114.442 114.554 -0.069 0.000 3.132 130 T HA 0.244 4.594 4.350 -0.001 0.000 0.274 130 T C 0.097 174.765 174.700 -0.052 0.000 1.011 130 T CA -0.254 61.804 62.100 -0.070 0.000 0.899 130 T CB 0.260 69.091 68.868 -0.061 0.000 1.089 130 T HN 0.288 nan 8.240 nan 0.000 0.543 131 D N 0.785 121.160 120.400 -0.042 0.000 2.399 131 D HA 0.090 4.730 4.640 -0.001 0.000 0.269 131 D C -0.062 176.228 176.300 -0.017 0.000 1.105 131 D CA 0.149 54.133 54.000 -0.027 0.000 0.844 131 D CB 0.429 41.217 40.800 -0.021 0.000 1.372 131 D HN 0.309 nan 8.370 nan 0.000 0.517 132 T N 4.019 118.561 114.554 -0.021 0.000 2.769 132 T HA 0.227 4.577 4.350 -0.001 0.000 0.293 132 T C -2.532 172.165 174.700 -0.006 0.000 0.931 132 T CA -0.940 61.156 62.100 -0.007 0.000 1.139 132 T CB 1.186 70.049 68.868 -0.008 0.000 0.881 132 T HN -0.138 nan 8.240 nan 0.000 0.532 133 P HA 0.125 nan 4.420 nan 0.000 0.263 133 P C -0.125 177.169 177.300 -0.010 0.000 1.195 133 P CA -0.023 63.085 63.100 0.012 0.000 0.762 133 P CB 0.215 31.962 31.700 0.078 0.000 0.799 134 I N 2.879 123.428 120.570 -0.036 0.000 2.474 134 I HA 0.093 4.262 4.170 -0.001 0.000 0.287 134 I C 1.105 177.197 176.117 -0.042 0.000 1.048 134 I CA -0.425 60.859 61.300 -0.027 0.000 1.383 134 I CB 0.729 38.706 38.000 -0.038 0.000 1.412 134 I HN 0.351 nan 8.210 nan 0.000 0.531 135 Q N 4.560 124.349 119.800 -0.019 0.000 2.421 135 Q HA 0.237 4.577 4.340 -0.001 0.000 0.255 135 Q C -0.364 175.583 176.000 -0.089 0.000 1.013 135 Q CA 0.159 55.931 55.803 -0.052 0.000 0.895 135 Q CB 0.906 29.630 28.738 -0.024 0.000 1.271 135 Q HN 0.768 nan 8.270 nan 0.000 0.460 136 T N -0.973 113.493 114.554 -0.147 0.000 2.864 136 T HA 0.688 5.038 4.350 -0.001 0.000 0.299 136 T C -0.755 173.752 174.700 -0.322 0.000 1.166 136 T CA -0.956 61.006 62.100 -0.231 0.000 1.007 136 T CB 1.689 70.442 68.868 -0.192 0.000 1.219 136 T HN 0.449 nan 8.240 nan 0.000 0.506 137 T N 1.886 116.071 114.554 -0.616 0.000 2.855 137 T HA 0.657 5.006 4.350 -0.001 0.000 0.281 137 T C -0.694 173.672 174.700 -0.557 0.000 1.007 137 T CA -0.704 61.030 62.100 -0.610 0.000 1.009 137 T CB 1.130 69.548 68.868 -0.750 0.000 0.983 137 T HN 0.785 nan 8.240 nan 0.000 0.455 138 I N 3.886 124.354 120.570 -0.170 0.000 2.389 138 I HA 0.493 4.663 4.170 -0.001 0.000 0.288 138 I C -1.126 175.062 176.117 0.117 0.000 0.999 138 I CA -0.868 60.446 61.300 0.023 0.000 1.129 138 I CB 0.753 38.792 38.000 0.064 0.000 1.288 138 I HN 0.416 nan 8.210 nan 0.000 0.444 139 M N 5.995 125.730 119.600 0.225 0.000 2.761 139 M HA 0.561 5.040 4.480 -0.001 0.000 0.305 139 M C -0.419 175.960 176.300 0.131 0.000 1.235 139 M CA -0.703 54.708 55.300 0.185 0.000 0.850 139 M CB 1.777 34.523 32.600 0.242 0.000 1.744 139 M HN 0.584 nan 8.290 nan 0.000 0.480 140 A N 1.660 124.533 122.820 0.088 0.000 2.260 140 A HA 0.511 4.830 4.320 -0.001 0.000 0.314 140 A C -0.082 177.542 177.584 0.066 0.000 1.257 140 A CA -0.639 51.437 52.037 0.066 0.000 0.871 140 A CB 0.281 19.306 19.000 0.042 0.000 1.166 140 A HN 0.746 nan 8.150 nan 0.000 0.522 141 K N 1.785 122.226 120.400 0.068 0.000 2.276 141 K HA 0.111 4.431 4.320 -0.001 0.000 0.259 141 K C -0.507 176.113 176.600 0.033 0.000 1.001 141 K CA 0.191 56.505 56.287 0.046 0.000 0.927 141 K CB 0.552 33.083 32.500 0.053 0.000 0.969 141 K HN 0.768 nan 8.250 nan 0.000 0.490 142 N N 2.261 120.955 118.700 -0.010 0.000 2.626 142 N HA 0.112 4.851 4.740 -0.001 0.000 0.249 142 N C -1.404 174.011 175.510 -0.158 0.000 1.021 142 N CA -0.341 52.679 53.050 -0.049 0.000 0.886 142 N CB 1.187 39.654 38.487 -0.034 0.000 1.149 142 N HN 0.446 nan 8.380 nan 0.000 0.517 143 E N 0.897 120.975 120.200 -0.204 0.000 2.256 143 E HA 0.440 4.790 4.350 -0.001 0.000 0.267 143 E C -0.743 175.407 176.600 -0.750 0.000 0.892 143 E CA -0.955 55.170 56.400 -0.458 0.000 0.775 143 E CB 2.603 32.043 29.700 -0.434 0.000 1.207 143 E HN 0.043 nan 8.360 nan 0.000 0.420 144 V N 2.747 122.091 119.914 -0.950 0.000 2.509 144 V HA 0.441 4.560 4.120 -0.001 0.000 0.284 144 V C -0.643 174.771 176.094 -1.133 0.000 1.047 144 V CA -0.109 61.608 62.300 -0.972 0.000 0.952 144 V CB 0.035 31.338 31.823 -0.867 0.000 0.988 144 V HN 0.536 nan 8.190 nan 0.000 0.469 145 F N 1.776 121.314 119.950 -0.686 0.000 2.726 145 F HA 0.616 5.143 4.527 -0.000 0.000 0.324 145 F C -0.037 175.522 175.800 -0.401 0.000 1.140 145 F CA -0.718 56.970 58.000 -0.520 0.000 0.964 145 F CB 1.418 40.108 39.000 -0.517 0.000 1.399 145 F HN 0.503 nan 8.300 nan 0.000 0.491 146 C N 1.923 121.303 119.300 0.133 0.000 2.351 146 C HA 0.803 5.263 4.460 -0.001 0.000 0.326 146 C C -0.312 174.890 174.990 0.353 0.000 1.272 146 C CA -0.547 58.593 59.018 0.203 0.000 1.650 146 C CB 0.212 28.014 27.740 0.103 0.000 2.257 146 C HN 0.523 nan 8.230 nan 0.000 0.505 147 V N 6.937 127.083 119.914 0.387 0.000 2.740 147 V HA 0.299 4.419 4.120 -0.001 0.000 0.303 147 V C 0.166 176.325 176.094 0.109 0.000 1.054 147 V CA 0.615 63.053 62.300 0.229 0.000 1.106 147 V CB 1.048 32.923 31.823 0.086 0.000 0.957 147 V HN 0.945 nan 8.190 nan 0.000 0.486 148 Q N 3.664 123.499 119.800 0.058 0.000 2.487 148 Q HA 0.326 4.665 4.340 -0.001 0.000 0.234 148 Q C -2.865 173.133 176.000 -0.002 0.000 0.828 148 Q CA -1.532 54.284 55.803 0.021 0.000 0.907 148 Q CB 1.616 30.367 28.738 0.022 0.000 1.462 148 Q HN 0.334 nan 8.270 nan 0.000 0.442 149 P HA -0.187 nan 4.420 nan 0.000 0.219 149 P C 0.303 177.592 177.300 -0.018 0.000 1.146 149 P CA 1.399 64.488 63.100 -0.019 0.000 0.808 149 P CB 0.337 32.027 31.700 -0.017 0.000 0.779 150 E N -0.094 120.096 120.200 -0.016 0.000 2.171 150 E HA -0.215 4.134 4.350 -0.001 0.000 0.197 150 E C 1.566 178.154 176.600 -0.019 0.000 0.997 150 E CA 1.381 57.771 56.400 -0.017 0.000 0.810 150 E CB -0.650 29.040 29.700 -0.017 0.000 0.738 150 E HN 0.203 nan 8.360 nan 0.000 0.467 151 K N -1.398 118.990 120.400 -0.021 0.000 2.356 151 K HA 0.259 4.579 4.320 -0.001 0.000 0.195 151 K C 0.866 177.449 176.600 -0.028 0.000 1.037 151 K CA 0.689 56.961 56.287 -0.025 0.000 1.014 151 K CB 0.868 33.351 32.500 -0.029 0.000 0.815 151 K HN 0.229 nan 8.250 nan 0.000 0.507 152 G N -0.943 107.840 108.800 -0.027 0.000 2.151 152 G HA2 0.069 4.028 3.960 -0.001 0.000 0.156 152 G HA3 0.069 4.028 3.960 -0.001 0.000 0.156 152 G C 0.529 175.404 174.900 -0.042 0.000 1.017 152 G CA 0.052 45.133 45.100 -0.031 0.000 0.686 152 G HN 0.642 nan 8.290 nan 0.000 0.503 153 G N -0.620 108.152 108.800 -0.046 0.000 2.637 153 G HA2 0.186 4.146 3.960 -0.001 0.000 0.211 153 G HA3 0.186 4.146 3.960 -0.001 0.000 0.211 153 G C -0.249 174.591 174.900 -0.099 0.000 1.213 153 G CA 0.225 45.280 45.100 -0.076 0.000 1.207 153 G HN 1.029 nan 8.290 nan 0.000 0.559 154 R N 0.838 121.253 120.500 -0.142 0.000 2.589 154 R HA 0.611 4.951 4.340 -0.001 0.000 0.293 154 R C -0.384 175.884 176.300 -0.054 0.000 0.963 154 R CA -0.745 55.261 56.100 -0.157 0.000 0.905 154 R CB 1.590 31.651 30.300 -0.398 0.000 1.144 154 R HN 0.494 nan 8.270 nan 0.000 0.459 155 K N 2.718 123.118 120.400 -0.000 0.000 2.276 155 K HA 0.266 4.586 4.320 -0.001 0.000 0.283 155 K C -2.275 174.315 176.600 -0.017 0.000 1.044 155 K CA -1.605 54.623 56.287 -0.099 0.000 0.944 155 K CB 0.457 32.731 32.500 -0.376 0.000 1.012 155 K HN 0.241 nan 8.250 nan 0.000 0.472 156 P HA -0.003 nan 4.420 nan 0.000 0.272 156 P C -0.764 176.563 177.300 0.045 0.000 1.240 156 P CA -0.304 62.807 63.100 0.018 0.000 0.791 156 P CB 0.607 32.306 31.700 -0.001 0.000 0.978 157 A N 2.319 125.180 122.820 0.069 0.000 2.466 157 A HA 0.152 4.471 4.320 -0.001 0.000 0.238 157 A C 0.487 178.119 177.584 0.080 0.000 1.074 157 A CA 0.051 52.144 52.037 0.094 0.000 0.774 157 A CB -0.055 18.991 19.000 0.077 0.000 1.015 157 A HN 0.433 nan 8.150 nan 0.000 0.498 158 R N 0.098 120.661 120.500 0.106 0.000 2.543 158 R HA 0.557 4.896 4.340 -0.001 0.000 0.268 158 R C -0.691 175.666 176.300 0.095 0.000 1.067 158 R CA -0.450 55.713 56.100 0.105 0.000 1.142 158 R CB 0.540 30.916 30.300 0.128 0.000 1.110 158 R HN 0.658 nan 8.270 nan 0.000 0.549 159 L N 1.627 122.914 121.223 0.108 0.000 2.330 159 L HA 0.558 4.898 4.340 -0.001 0.000 0.271 159 L C -0.581 176.379 176.870 0.151 0.000 1.013 159 L CA -1.118 53.791 54.840 0.114 0.000 0.816 159 L CB 1.618 43.735 42.059 0.097 0.000 1.287 159 L HN 0.437 nan 8.230 nan 0.000 0.435 160 I N 2.026 122.706 120.570 0.183 0.000 2.478 160 I HA 0.414 4.584 4.170 -0.001 0.000 0.287 160 I C -1.002 175.326 176.117 0.351 0.000 1.042 160 I CA -0.317 61.126 61.300 0.239 0.000 1.067 160 I CB 1.865 39.978 38.000 0.187 0.000 1.233 160 I HN 0.147 nan 8.210 nan 0.000 0.431 161 V N 9.114 129.215 119.914 0.312 0.000 2.384 161 V HA 0.606 4.726 4.120 -0.001 0.000 0.287 161 V C -0.517 175.744 176.094 0.279 0.000 1.020 161 V CA -0.432 61.998 62.300 0.217 0.000 0.850 161 V CB 0.883 32.800 31.823 0.156 0.000 0.987 161 V HN 0.589 nan 8.190 nan 0.000 0.436 162 F N 5.022 125.010 119.950 0.063 0.000 2.626 162 F HA 0.947 5.474 4.527 -0.000 0.000 0.311 162 F C -3.032 172.796 175.800 0.048 0.000 1.088 162 F CA -2.621 55.416 58.000 0.062 0.000 0.949 162 F CB 1.900 40.931 39.000 0.053 0.000 1.322 162 F HN 0.276 nan 8.300 nan 0.000 0.461 163 P HA 0.131 nan 4.420 nan 0.000 0.284 163 P C -1.103 176.280 177.300 0.138 0.000 1.287 163 P CA -0.252 62.877 63.100 0.049 0.000 0.824 163 P CB 1.478 33.230 31.700 0.088 0.000 1.180 164 D N 0.211 120.676 120.400 0.108 0.000 2.400 164 D HA -0.056 4.584 4.640 -0.001 0.000 0.238 164 D C 1.350 177.752 176.300 0.170 0.000 1.157 164 D CA -0.323 53.759 54.000 0.136 0.000 0.889 164 D CB 0.859 41.761 40.800 0.171 0.000 1.199 164 D HN 0.106 nan 8.370 nan 0.000 0.436 165 L N 4.672 125.964 121.223 0.115 0.000 2.051 165 L HA -0.148 4.192 4.340 -0.001 0.000 0.214 165 L C 2.222 179.208 176.870 0.193 0.000 1.076 165 L CA 2.710 57.610 54.840 0.100 0.000 0.758 165 L CB -1.077 40.968 42.059 -0.024 0.000 0.890 165 L HN 0.719 nan 8.230 nan 0.000 0.433 166 G N -1.181 107.797 108.800 0.295 0.000 2.514 166 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.217 166 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.217 166 G C 1.548 176.613 174.900 0.275 0.000 1.198 166 G CA 1.462 46.817 45.100 0.425 0.000 0.780 166 G HN 0.365 nan 8.290 nan 0.000 0.565 167 V N 1.045 121.102 119.914 0.238 0.000 2.255 167 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 167 V C 2.916 179.110 176.094 0.167 0.000 1.051 167 V CA 2.230 64.634 62.300 0.172 0.000 1.018 167 V CB -0.611 31.294 31.823 0.137 0.000 0.641 167 V HN 0.343 nan 8.190 nan 0.000 0.445 168 R N -0.217 120.383 120.500 0.166 0.000 2.133 168 R HA -0.174 4.165 4.340 -0.001 0.000 0.247 168 R C 2.165 178.547 176.300 0.136 0.000 1.151 168 R CA 1.735 57.925 56.100 0.150 0.000 0.971 168 R CB -0.744 29.633 30.300 0.128 0.000 0.866 168 R HN 0.477 nan 8.270 nan 0.000 0.447 169 V N 0.033 120.029 119.914 0.136 0.000 2.453 169 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 169 V C 2.508 178.678 176.094 0.127 0.000 1.048 169 V CA 1.385 63.747 62.300 0.103 0.000 1.049 169 V CB -0.433 31.447 31.823 0.096 0.000 0.672 169 V HN 0.427 nan 8.190 nan 0.000 0.457 170 C N -0.124 119.294 119.300 0.197 0.000 2.429 170 C HA -0.144 4.316 4.460 -0.001 0.000 0.277 170 C C 2.700 177.881 174.990 0.318 0.000 1.262 170 C CA 0.946 60.163 59.018 0.332 0.000 1.733 170 C CB -0.863 27.108 27.740 0.383 0.000 2.010 170 C HN 0.612 nan 8.230 nan 0.000 0.483 171 E N 0.796 121.133 120.200 0.229 0.000 2.049 171 E HA -0.261 4.089 4.350 -0.001 0.000 0.198 171 E C 2.177 178.907 176.600 0.218 0.000 1.007 171 E CA 1.470 58.005 56.400 0.226 0.000 0.809 171 E CB -0.173 29.663 29.700 0.227 0.000 0.749 171 E HN 0.615 nan 8.360 nan 0.000 0.450 172 K N 0.210 120.718 120.400 0.180 0.000 2.044 172 K HA -0.192 4.128 4.320 -0.001 0.000 0.210 172 K C 2.227 178.918 176.600 0.152 0.000 1.049 172 K CA 1.810 58.198 56.287 0.168 0.000 0.927 172 K CB -0.212 32.324 32.500 0.060 0.000 0.713 172 K HN 0.156 nan 8.250 nan 0.000 0.443 173 M N -0.002 119.654 119.600 0.094 0.000 2.108 173 M HA -0.172 4.307 4.480 -0.001 0.000 0.261 173 M C 2.307 178.687 176.300 0.133 0.000 1.066 173 M CA 1.765 57.072 55.300 0.012 0.000 1.107 173 M CB -0.251 32.213 32.600 -0.227 0.000 1.356 173 M HN 0.234 nan 8.290 nan 0.000 0.406 174 A N -1.011 121.989 122.820 0.300 0.000 2.147 174 A HA 0.203 4.523 4.320 -0.001 0.000 0.211 174 A C 1.689 179.375 177.584 0.169 0.000 1.160 174 A CA 0.657 52.883 52.037 0.317 0.000 0.781 174 A CB 0.040 19.268 19.000 0.380 0.000 0.842 174 A HN 0.490 nan 8.150 nan 0.000 0.475 175 L N -3.038 118.274 121.223 0.148 0.000 3.360 175 L HA 0.191 4.531 4.340 -0.001 0.000 0.303 175 L C 1.634 178.532 176.870 0.047 0.000 1.218 175 L CA 0.008 54.875 54.840 0.044 0.000 1.059 175 L CB 0.108 42.160 42.059 -0.011 0.000 1.468 175 L HN 0.429 nan 8.230 nan 0.000 0.614 176 Y N 1.413 121.734 120.300 0.037 0.000 2.165 176 Y HA -0.322 4.228 4.550 -0.001 0.000 0.286 176 Y C 2.167 178.104 175.900 0.060 0.000 1.155 176 Y CA 2.258 60.396 58.100 0.064 0.000 1.164 176 Y CB 0.191 38.682 38.460 0.052 0.000 0.978 176 Y HN 0.207 nan 8.280 nan 0.000 0.513 177 D N -0.877 119.576 120.400 0.089 0.000 2.183 177 D HA -0.137 4.502 4.640 -0.001 0.000 0.203 177 D C 2.183 178.430 176.300 -0.088 0.000 0.969 177 D CA 1.251 55.258 54.000 0.012 0.000 0.842 177 D CB -0.089 40.756 40.800 0.075 0.000 0.957 177 D HN 0.268 nan 8.370 nan 0.000 0.484 178 V N 0.658 120.512 119.914 -0.100 0.000 2.270 178 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 178 V C 2.646 178.613 176.094 -0.212 0.000 1.043 178 V CA 1.771 63.979 62.300 -0.152 0.000 1.014 178 V CB -0.854 30.838 31.823 -0.219 0.000 0.645 178 V HN 0.292 nan 8.190 nan 0.000 0.447 179 V N -2.078 117.684 119.914 -0.253 0.000 3.241 179 V HA -0.016 4.104 4.120 -0.001 0.000 0.269 179 V C 1.668 177.563 176.094 -0.331 0.000 1.151 179 V CA 1.883 64.011 62.300 -0.286 0.000 1.158 179 V CB -0.351 31.317 31.823 -0.258 0.000 0.764 179 V HN 0.460 nan 8.190 nan 0.000 0.508 180 S N -0.500 115.024 115.700 -0.293 0.000 2.539 180 S HA 0.189 4.659 4.470 -0.001 0.000 0.221 180 S C 1.466 175.974 174.600 -0.153 0.000 0.987 180 S CA 0.671 58.731 58.200 -0.234 0.000 0.929 180 S CB 0.571 63.622 63.200 -0.248 0.000 0.832 180 S HN 0.749 nan 8.310 nan 0.000 0.492 181 T N 0.930 115.382 114.554 -0.170 0.000 3.105 181 T HA 0.206 4.555 4.350 -0.001 0.000 0.257 181 T C 1.381 175.973 174.700 -0.179 0.000 0.949 181 T CA -0.215 61.803 62.100 -0.137 0.000 0.959 181 T CB -0.219 68.599 68.868 -0.083 0.000 1.205 181 T HN 0.121 nan 8.240 nan 0.000 0.496 182 L N 2.833 123.947 121.223 -0.182 0.000 2.013 182 L HA 0.030 4.369 4.340 -0.001 0.000 0.212 182 L C -1.166 175.535 176.870 -0.282 0.000 1.073 182 L CA 2.262 56.999 54.840 -0.171 0.000 0.753 182 L CB -1.229 40.772 42.059 -0.097 0.000 0.890 182 L HN 0.085 nan 8.230 nan 0.000 0.432 183 P HA -0.279 nan 4.420 nan 0.000 0.211 183 P C 1.493 178.323 177.300 -0.783 0.000 1.181 183 P CA 1.875 64.495 63.100 -0.802 0.000 0.929 183 P CB -0.154 30.684 31.700 -1.437 0.000 0.789 184 Q N -0.682 118.689 119.800 -0.715 0.000 2.234 184 Q HA -0.194 4.145 4.340 -0.001 0.000 0.206 184 Q C 1.931 177.799 176.000 -0.220 0.000 0.980 184 Q CA 1.727 57.340 55.803 -0.315 0.000 0.869 184 Q CB -0.655 28.017 28.738 -0.110 0.000 0.912 184 Q HN 0.097 nan 8.270 nan 0.000 0.436 185 A N -0.227 122.462 122.820 -0.218 0.000 1.877 185 A HA -0.140 4.180 4.320 -0.001 0.000 0.216 185 A C 2.125 179.619 177.584 -0.149 0.000 1.186 185 A CA 1.684 53.633 52.037 -0.146 0.000 0.620 185 A CB -0.567 18.359 19.000 -0.122 0.000 0.822 185 A HN 0.307 nan 8.150 nan 0.000 0.443 186 V N 0.140 119.929 119.914 -0.209 0.000 2.535 186 V HA -0.154 3.966 4.120 -0.001 0.000 0.246 186 V C 2.329 178.254 176.094 -0.282 0.000 1.045 186 V CA 1.889 64.061 62.300 -0.213 0.000 1.058 186 V CB -0.603 31.080 31.823 -0.234 0.000 0.689 186 V HN 0.758 nan 8.190 nan 0.000 0.461 187 M N -0.837 118.535 119.600 -0.380 0.000 2.333 187 M HA 0.502 4.981 4.480 -0.001 0.000 0.257 187 M C 1.367 177.583 176.300 -0.139 0.000 1.078 187 M CA 0.673 55.721 55.300 -0.420 0.000 1.005 187 M CB 0.075 32.201 32.600 -0.790 0.000 1.444 187 M HN 0.233 nan 8.290 nan 0.000 0.496 188 G N 2.699 111.438 108.800 -0.103 0.000 2.652 188 G HA2 -0.442 3.518 3.960 -0.001 0.000 0.318 188 G HA3 -0.442 3.518 3.960 -0.001 0.000 0.318 188 G C 0.919 175.805 174.900 -0.024 0.000 1.295 188 G CA 1.882 46.959 45.100 -0.038 0.000 0.999 188 G HN 0.690 nan 8.290 nan 0.000 0.548 189 S N -0.750 114.962 115.700 0.019 0.000 2.440 189 S HA -0.086 4.384 4.470 -0.001 0.000 0.240 189 S C 2.253 176.818 174.600 -0.058 0.000 1.014 189 S CA 2.226 60.415 58.200 -0.017 0.000 0.980 189 S CB -0.358 62.933 63.200 0.152 0.000 0.775 189 S HN 1.011 nan 8.310 nan 0.000 0.499 190 S N 0.103 115.851 115.700 0.081 0.000 2.481 190 S HA 0.070 4.540 4.470 -0.001 0.000 0.231 190 S C 0.321 174.968 174.600 0.078 0.000 0.996 190 S CA 0.100 58.387 58.200 0.144 0.000 0.942 190 S CB -0.408 62.961 63.200 0.281 0.000 0.768 190 S HN 0.685 nan 8.310 nan 0.000 0.520 191 Y N 3.196 123.405 120.300 -0.152 0.000 2.585 191 Y HA 0.466 5.016 4.550 -0.001 0.000 0.354 191 Y C 1.290 177.018 175.900 -0.287 0.000 1.024 191 Y CA -1.441 56.539 58.100 -0.200 0.000 1.321 191 Y CB -0.162 38.168 38.460 -0.218 0.000 1.151 191 Y HN 0.064 nan 8.280 nan 0.000 0.525 192 G N 4.658 113.092 108.800 -0.610 0.000 2.440 192 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.218 192 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.218 192 G C 1.250 175.665 174.900 -0.808 0.000 1.154 192 G CA 0.532 45.261 45.100 -0.619 0.000 0.767 192 G HN 0.710 nan 8.290 nan 0.000 0.552 193 F N 1.608 120.899 119.950 -1.099 0.000 2.664 193 F HA -0.032 4.495 4.527 -0.001 0.000 0.297 193 F C 2.849 178.464 175.800 -0.308 0.000 1.164 193 F CA 1.215 58.698 58.000 -0.862 0.000 1.472 193 F CB -0.039 38.344 39.000 -1.027 0.000 1.108 193 F HN 0.361 nan 8.300 nan 0.000 0.596 194 Q N -0.543 119.016 119.800 -0.403 0.000 2.451 194 Q HA -0.009 4.331 4.340 -0.001 0.000 0.206 194 Q C -0.505 175.348 176.000 -0.245 0.000 0.947 194 Q CA 0.484 56.129 55.803 -0.262 0.000 0.937 194 Q CB -0.258 28.215 28.738 -0.441 0.000 1.025 194 Q HN 0.420 nan 8.270 nan 0.000 0.511 195 Y N 1.250 121.593 120.300 0.072 0.000 2.420 195 Y HA 0.387 4.937 4.550 -0.001 0.000 0.334 195 Y C 0.456 176.370 175.900 0.024 0.000 1.094 195 Y CA -1.148 56.960 58.100 0.014 0.000 1.126 195 Y CB 1.660 40.068 38.460 -0.088 0.000 1.217 195 Y HN 0.062 nan 8.280 nan 0.000 0.462 196 S N 1.089 116.731 115.700 -0.096 0.000 2.713 196 S HA 0.391 4.860 4.470 -0.001 0.000 0.283 196 S C -2.259 172.093 174.600 -0.414 0.000 1.161 196 S CA -1.460 56.267 58.200 -0.788 0.000 0.999 196 S CB 1.834 64.468 63.200 -0.943 0.000 1.039 196 S HN 0.373 nan 8.310 nan 0.000 0.548 197 P HA -0.214 nan 4.420 nan 0.000 0.216 197 P C 1.431 178.663 177.300 -0.114 0.000 1.167 197 P CA 1.628 64.611 63.100 -0.194 0.000 0.914 197 P CB 0.008 31.622 31.700 -0.143 0.000 0.793 198 K N -0.448 119.854 120.400 -0.164 0.000 2.113 198 K HA -0.253 4.067 4.320 -0.001 0.000 0.208 198 K C 2.193 178.747 176.600 -0.076 0.000 1.047 198 K CA 1.715 57.951 56.287 -0.084 0.000 0.928 198 K CB -0.258 32.167 32.500 -0.126 0.000 0.716 198 K HN 0.163 nan 8.250 nan 0.000 0.446 199 Q N -0.465 119.275 119.800 -0.099 0.000 2.083 199 Q HA -0.097 4.243 4.340 -0.001 0.000 0.198 199 Q C 2.214 178.093 176.000 -0.201 0.000 0.969 199 Q CA 1.106 56.862 55.803 -0.078 0.000 0.838 199 Q CB -0.005 28.772 28.738 0.066 0.000 0.900 199 Q HN 0.244 nan 8.270 nan 0.000 0.436 200 R N 0.185 120.594 120.500 -0.151 0.000 2.073 200 R HA -0.140 4.200 4.340 -0.001 0.000 0.234 200 R C 2.163 178.394 176.300 -0.115 0.000 1.134 200 R CA 1.278 57.272 56.100 -0.177 0.000 0.952 200 R CB -0.232 30.040 30.300 -0.047 0.000 0.850 200 R HN 0.095 nan 8.270 nan 0.000 0.433 201 V N 1.421 121.289 119.914 -0.078 0.000 2.252 201 V HA -0.307 3.813 4.120 -0.001 0.000 0.249 201 V C 2.375 178.413 176.094 -0.094 0.000 1.056 201 V CA 2.389 64.645 62.300 -0.073 0.000 1.022 201 V CB -0.667 31.150 31.823 -0.011 0.000 0.641 201 V HN 0.529 nan 8.190 nan 0.000 0.445 202 E N -0.589 119.571 120.200 -0.067 0.000 2.118 202 E HA -0.299 4.050 4.350 -0.001 0.000 0.195 202 E C 2.101 178.653 176.600 -0.080 0.000 0.992 202 E CA 1.904 58.269 56.400 -0.059 0.000 0.804 202 E CB -0.271 29.412 29.700 -0.028 0.000 0.741 202 E HN 0.616 nan 8.360 nan 0.000 0.458 203 F N 0.770 120.549 119.950 -0.285 0.000 2.146 203 F HA -0.102 4.424 4.527 -0.001 0.000 0.298 203 F C 1.901 177.573 175.800 -0.214 0.000 1.096 203 F CA 1.095 58.906 58.000 -0.315 0.000 1.275 203 F CB 0.037 38.668 39.000 -0.615 0.000 1.008 203 F HN -0.005 nan 8.300 nan 0.000 0.480 204 L N -0.613 120.493 121.223 -0.196 0.000 1.976 204 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 204 L C 2.382 179.097 176.870 -0.259 0.000 1.071 204 L CA 1.196 55.894 54.840 -0.238 0.000 0.746 204 L CB -1.099 40.856 42.059 -0.173 0.000 0.890 204 L HN -0.031 nan 8.230 nan 0.000 0.432 205 V N 0.446 120.190 119.914 -0.283 0.000 2.250 205 V HA -0.381 3.739 4.120 -0.001 0.000 0.250 205 V C 2.105 178.089 176.094 -0.183 0.000 1.060 205 V CA 2.546 64.650 62.300 -0.327 0.000 1.030 205 V CB -0.971 30.578 31.823 -0.456 0.000 0.643 205 V HN 0.513 nan 8.190 nan 0.000 0.445 206 N N -0.415 118.172 118.700 -0.187 0.000 2.104 206 N HA -0.185 4.554 4.740 -0.001 0.000 0.190 206 N C 1.821 177.227 175.510 -0.174 0.000 1.024 206 N CA 1.787 54.747 53.050 -0.149 0.000 0.853 206 N CB -0.281 38.121 38.487 -0.143 0.000 1.008 206 N HN 0.489 nan 8.380 nan 0.000 0.424 207 T N 0.398 114.771 114.554 -0.302 0.000 2.746 207 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 207 T C 1.330 175.955 174.700 -0.125 0.000 1.039 207 T CA 0.784 62.705 62.100 -0.299 0.000 1.142 207 T CB -0.287 68.278 68.868 -0.505 0.000 0.866 207 T HN 0.455 nan 8.240 nan 0.000 0.444 208 W N 2.289 123.434 121.300 -0.259 0.000 2.355 208 W HA -0.057 4.602 4.660 -0.001 0.000 0.309 208 W C 1.666 178.099 176.519 -0.145 0.000 1.206 208 W CA 1.074 58.304 57.345 -0.191 0.000 1.284 208 W CB -0.194 29.143 29.460 -0.206 0.000 1.145 208 W HN 0.231 nan 8.180 nan 0.000 0.502 209 K N 0.090 120.534 120.400 0.074 0.000 2.365 209 K HA -0.027 4.292 4.320 -0.001 0.000 0.199 209 K C 1.995 178.552 176.600 -0.072 0.000 1.045 209 K CA 0.844 57.134 56.287 0.004 0.000 0.962 209 K CB -0.198 32.324 32.500 0.037 0.000 0.759 209 K HN 0.049 nan 8.250 nan 0.000 0.469 210 A N 1.130 123.892 122.820 -0.097 0.000 2.169 210 A HA -0.002 4.318 4.320 -0.001 0.000 0.212 210 A C 0.471 177.984 177.584 -0.117 0.000 1.153 210 A CA 0.627 52.607 52.037 -0.094 0.000 0.756 210 A CB 0.076 19.020 19.000 -0.094 0.000 0.813 210 A HN -0.014 nan 8.150 nan 0.000 0.471 211 K N 0.502 120.795 120.400 -0.178 0.000 2.174 211 K HA 0.382 4.702 4.320 -0.001 0.000 0.275 211 K C 0.798 177.288 176.600 -0.184 0.000 1.015 211 K CA -0.129 56.039 56.287 -0.199 0.000 0.933 211 K CB 1.088 33.407 32.500 -0.302 0.000 1.025 211 K HN 0.231 nan 8.250 nan 0.000 0.463 212 K N 0.468 120.787 120.400 -0.136 0.000 1.973 212 K HA -0.091 4.229 4.320 -0.001 0.000 0.212 212 K C 0.464 176.985 176.600 -0.132 0.000 1.047 212 K CA 1.207 57.430 56.287 -0.106 0.000 0.937 212 K CB -0.072 32.382 32.500 -0.076 0.000 0.721 212 K HN 0.436 nan 8.250 nan 0.000 0.440 213 C N 3.396 122.610 119.300 -0.144 0.000 2.492 213 C HA 0.378 4.838 4.460 -0.001 0.000 0.284 213 C C -2.590 172.265 174.990 -0.224 0.000 1.082 213 C CA -2.803 56.127 59.018 -0.146 0.000 1.555 213 C CB -0.025 27.669 27.740 -0.077 0.000 1.798 213 C HN 0.271 nan 8.230 nan 0.000 0.413 214 P HA 0.156 nan 4.420 nan 0.000 0.267 214 P C -0.702 176.228 177.300 -0.617 0.000 1.200 214 P CA 0.429 63.043 63.100 -0.810 0.000 0.772 214 P CB 0.821 31.402 31.700 -1.865 0.000 0.855 215 M N 2.166 121.473 119.600 -0.488 0.000 2.284 215 M HA 0.544 5.024 4.480 -0.001 0.000 0.281 215 M C -1.492 174.735 176.300 -0.121 0.000 1.083 215 M CA -0.148 54.966 55.300 -0.310 0.000 0.965 215 M CB 2.089 34.568 32.600 -0.203 0.000 1.717 215 M HN 0.584 nan 8.290 nan 0.000 0.479 216 G N 4.159 112.982 108.800 0.039 0.000 2.619 216 G HA2 0.867 4.827 3.960 -0.001 0.000 0.296 216 G HA3 0.867 4.827 3.960 -0.001 0.000 0.296 216 G C -1.963 173.006 174.900 0.116 0.000 1.334 216 G CA -0.626 44.525 45.100 0.085 0.000 0.934 216 G HN 0.815 nan 8.290 nan 0.000 0.476 217 F N -0.371 119.533 119.950 -0.076 0.000 2.654 217 F HA 0.793 5.320 4.527 -0.001 0.000 0.308 217 F C -0.259 175.514 175.800 -0.045 0.000 1.108 217 F CA -1.460 56.493 58.000 -0.078 0.000 0.957 217 F CB 1.566 40.497 39.000 -0.115 0.000 1.309 217 F HN 0.621 nan 8.300 nan 0.000 0.446 218 S N 1.420 117.190 115.700 0.117 0.000 2.525 218 S HA 0.606 5.075 4.470 -0.001 0.000 0.290 218 S C -1.569 173.198 174.600 0.278 0.000 1.152 218 S CA -0.570 57.676 58.200 0.076 0.000 1.072 218 S CB 1.490 64.715 63.200 0.043 0.000 1.027 218 S HN 0.826 nan 8.310 nan 0.000 0.500 219 Y N 1.827 122.226 120.300 0.165 0.000 2.334 219 Y HA 0.443 4.992 4.550 -0.001 0.000 0.336 219 Y C -0.732 175.293 175.900 0.209 0.000 0.960 219 Y CA -0.846 57.421 58.100 0.278 0.000 1.164 219 Y CB 1.169 39.893 38.460 0.441 0.000 1.155 219 Y HN 0.871 nan 8.280 nan 0.000 0.478 220 D N 4.256 124.499 120.400 -0.262 0.000 2.359 220 D HA 0.221 4.861 4.640 -0.001 0.000 0.230 220 D C -0.768 175.368 176.300 -0.273 0.000 1.118 220 D CA -0.076 53.832 54.000 -0.152 0.000 0.844 220 D CB 0.990 41.734 40.800 -0.093 0.000 1.059 220 D HN 0.458 nan 8.370 nan 0.000 0.493 221 T N 3.750 118.315 114.554 0.018 0.000 2.817 221 T HA 0.180 4.530 4.350 -0.001 0.000 0.293 221 T C 0.311 175.087 174.700 0.127 0.000 0.964 221 T CA -0.567 61.623 62.100 0.149 0.000 1.085 221 T CB 0.744 69.904 68.868 0.488 0.000 0.921 221 T HN 0.311 nan 8.240 nan 0.000 0.502 222 R N 2.438 122.978 120.500 0.067 0.000 2.404 222 R HA 0.097 4.437 4.340 -0.001 0.000 0.315 222 R C 0.271 176.671 176.300 0.167 0.000 1.032 222 R CA -0.264 55.870 56.100 0.055 0.000 0.992 222 R CB -0.556 29.711 30.300 -0.056 0.000 0.959 222 R HN 0.920 nan 8.270 nan 0.000 0.428 223 C N 7.147 126.576 119.300 0.215 0.000 2.656 223 C HA -0.199 4.261 4.460 -0.001 0.000 0.226 223 C C 1.323 176.522 174.990 0.348 0.000 1.302 223 C CA 0.205 59.403 59.018 0.300 0.000 2.531 223 C CB -2.325 25.633 27.740 0.365 0.000 1.576 223 C HN 1.056 nan 8.230 nan 0.000 0.379 224 F N 2.541 122.606 119.950 0.192 0.000 2.063 224 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 224 F C 1.919 177.819 175.800 0.167 0.000 1.109 224 F CA 2.582 60.693 58.000 0.185 0.000 1.212 224 F CB -0.188 38.912 39.000 0.166 0.000 0.973 224 F HN 0.624 nan 8.300 nan 0.000 0.480 225 D N -0.328 120.347 120.400 0.460 0.000 2.149 225 D HA -0.190 4.449 4.640 -0.001 0.000 0.194 225 D C 2.406 178.767 176.300 0.101 0.000 1.001 225 D CA 1.857 56.035 54.000 0.297 0.000 0.849 225 D CB -0.615 40.344 40.800 0.264 0.000 0.939 225 D HN 0.289 nan 8.370 nan 0.000 0.449 226 S N -0.399 115.362 115.700 0.101 0.000 2.453 226 S HA -0.099 4.371 4.470 -0.001 0.000 0.231 226 S C 2.053 176.584 174.600 -0.114 0.000 1.005 226 S CA 1.353 59.497 58.200 -0.093 0.000 0.949 226 S CB -0.145 62.967 63.200 -0.147 0.000 0.774 226 S HN 0.527 nan 8.310 nan 0.000 0.510 227 T N -0.453 114.104 114.554 0.005 0.000 3.067 227 T HA 0.131 4.481 4.350 -0.001 0.000 0.261 227 T C 0.632 175.240 174.700 -0.153 0.000 1.110 227 T CA -0.010 62.081 62.100 -0.015 0.000 1.113 227 T CB -0.436 68.397 68.868 -0.058 0.000 0.917 227 T HN 0.034 nan 8.240 nan 0.000 0.499 228 V N 4.076 123.870 119.914 -0.200 0.000 2.540 228 V HA 0.288 4.408 4.120 -0.001 0.000 0.297 228 V C 1.179 177.216 176.094 -0.094 0.000 1.024 228 V CA -0.036 62.179 62.300 -0.143 0.000 1.105 228 V CB 0.013 31.810 31.823 -0.044 0.000 0.938 228 V HN 0.732 nan 8.190 nan 0.000 0.482 229 T N 0.916 115.427 114.554 -0.070 0.000 2.927 229 T HA 0.351 4.701 4.350 -0.001 0.000 0.281 229 T C 0.925 175.603 174.700 -0.038 0.000 0.998 229 T CA -0.644 61.421 62.100 -0.059 0.000 1.019 229 T CB 1.394 70.231 68.868 -0.051 0.000 1.061 229 T HN 0.654 nan 8.240 nan 0.000 0.518 230 E N 0.405 120.583 120.200 -0.036 0.000 2.118 230 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 230 E C 2.044 178.640 176.600 -0.007 0.000 0.992 230 E CA 0.918 57.310 56.400 -0.014 0.000 0.804 230 E CB -0.082 29.610 29.700 -0.014 0.000 0.741 230 E HN 0.648 nan 8.360 nan 0.000 0.458 231 N N 0.908 119.598 118.700 -0.017 0.000 2.188 231 N HA -0.156 4.584 4.740 -0.001 0.000 0.184 231 N C 1.115 176.626 175.510 0.002 0.000 1.018 231 N CA 1.071 54.114 53.050 -0.011 0.000 0.858 231 N CB 0.097 38.568 38.487 -0.027 0.000 0.989 231 N HN 0.104 nan 8.380 nan 0.000 0.426 232 D N 1.032 121.433 120.400 0.001 0.000 2.097 232 D HA -0.094 4.546 4.640 -0.001 0.000 0.195 232 D C 2.065 178.369 176.300 0.005 0.000 0.989 232 D CA 0.719 54.732 54.000 0.021 0.000 0.827 232 D CB -0.257 40.552 40.800 0.015 0.000 0.966 232 D HN 0.396 nan 8.370 nan 0.000 0.456 233 I N 0.654 121.229 120.570 0.008 0.000 2.315 233 I HA -0.192 3.978 4.170 -0.001 0.000 0.248 233 I C 2.442 178.558 176.117 -0.001 0.000 1.117 233 I CA 0.832 62.142 61.300 0.016 0.000 1.404 233 I CB -0.132 37.905 38.000 0.062 0.000 1.071 233 I HN -0.085 nan 8.210 nan 0.000 0.419 234 R N 0.197 120.699 120.500 0.003 0.000 2.115 234 R HA -0.074 4.266 4.340 -0.001 0.000 0.230 234 R C 2.308 178.581 176.300 -0.045 0.000 1.111 234 R CA 0.972 57.069 56.100 -0.005 0.000 0.976 234 R CB -0.314 29.988 30.300 0.003 0.000 0.870 234 R HN 0.248 nan 8.270 nan 0.000 0.445 235 V N 1.350 121.237 119.914 -0.046 0.000 2.358 235 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 235 V C 1.926 177.913 176.094 -0.178 0.000 1.047 235 V CA 1.706 63.967 62.300 -0.066 0.000 1.035 235 V CB -0.344 31.479 31.823 -0.000 0.000 0.658 235 V HN 0.332 nan 8.190 nan 0.000 0.452 236 E N -0.264 119.795 120.200 -0.236 0.000 2.085 236 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 236 E C 2.325 178.360 176.600 -0.942 0.000 0.994 236 E CA 1.362 57.447 56.400 -0.525 0.000 0.801 236 E CB -0.176 29.280 29.700 -0.407 0.000 0.743 236 E HN 0.561 nan 8.360 nan 0.000 0.453 237 E N 0.746 120.645 120.200 -0.502 0.000 2.038 237 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 237 E C 2.242 178.738 176.600 -0.173 0.000 1.000 237 E CA 1.682 57.929 56.400 -0.254 0.000 0.803 237 E CB -0.065 29.643 29.700 0.012 0.000 0.750 237 E HN 0.241 nan 8.360 nan 0.000 0.448 238 S N 0.509 116.126 115.700 -0.138 0.000 2.383 238 S HA -0.161 4.308 4.470 -0.001 0.000 0.229 238 S C 2.204 176.753 174.600 -0.085 0.000 1.030 238 S CA 1.262 59.417 58.200 -0.074 0.000 1.002 238 S CB -0.664 62.501 63.200 -0.058 0.000 0.829 238 S HN 0.311 nan 8.310 nan 0.000 0.467 239 I N 0.206 120.670 120.570 -0.178 0.000 2.179 239 I HA -0.160 4.010 4.170 -0.001 0.000 0.242 239 I C 2.430 178.539 176.117 -0.013 0.000 1.088 239 I CA 1.549 62.770 61.300 -0.132 0.000 1.357 239 I CB -0.656 37.226 38.000 -0.197 0.000 1.051 239 I HN 0.246 nan 8.210 nan 0.000 0.409 240 Y N 1.244 121.534 120.300 -0.016 0.000 2.165 240 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 240 Y C 2.698 178.597 175.900 -0.002 0.000 1.155 240 Y CA 0.737 58.831 58.100 -0.011 0.000 1.164 240 Y CB -1.224 37.242 38.460 0.010 0.000 0.978 240 Y HN 0.259 nan 8.280 nan 0.000 0.513 241 Q N -1.189 118.707 119.800 0.161 0.000 2.439 241 Q HA -0.140 4.199 4.340 -0.001 0.000 0.211 241 Q C 2.259 178.292 176.000 0.055 0.000 0.978 241 Q CA 1.045 56.903 55.803 0.092 0.000 0.897 241 Q CB -0.809 27.965 28.738 0.061 0.000 0.956 241 Q HN 0.522 nan 8.270 nan 0.000 0.483 242 C N 0.115 119.441 119.300 0.044 0.000 2.456 242 C HA -0.002 4.458 4.460 -0.001 0.000 0.279 242 C C 1.614 176.619 174.990 0.025 0.000 1.427 242 C CA -0.751 58.280 59.018 0.022 0.000 1.778 242 C CB -0.775 26.967 27.740 0.004 0.000 1.842 242 C HN 0.425 nan 8.230 nan 0.000 0.531 243 C N 1.093 120.417 119.300 0.041 0.000 2.705 243 C HA 0.157 4.617 4.460 -0.001 0.000 0.365 243 C C 0.524 175.531 174.990 0.028 0.000 1.353 243 C CA -0.032 59.005 59.018 0.031 0.000 2.339 243 C CB -0.171 27.592 27.740 0.038 0.000 2.576 243 C HN 0.512 nan 8.230 nan 0.000 0.716 244 D N 1.068 121.481 120.400 0.021 0.000 2.411 244 D HA 0.518 5.157 4.640 -0.001 0.000 0.225 244 D C -0.518 175.798 176.300 0.027 0.000 1.156 244 D CA 0.147 54.159 54.000 0.021 0.000 0.874 244 D CB -0.047 40.761 40.800 0.015 0.000 1.034 244 D HN 0.346 nan 8.370 nan 0.000 0.502 245 L N 1.816 123.059 121.223 0.034 0.000 2.271 245 L HA 0.786 5.125 4.340 -0.001 0.000 0.265 245 L C 0.360 177.257 176.870 0.044 0.000 1.013 245 L CA -1.605 53.260 54.840 0.043 0.000 0.820 245 L CB 1.493 43.584 42.059 0.053 0.000 1.352 245 L HN 0.310 nan 8.230 nan 0.000 0.443 246 A N 0.329 123.182 122.820 0.056 0.000 2.340 246 A HA 0.470 4.790 4.320 -0.001 0.000 0.268 246 A C -1.977 175.644 177.584 0.062 0.000 1.100 246 A CA -1.232 50.840 52.037 0.059 0.000 0.803 246 A CB 0.269 19.312 19.000 0.073 0.000 1.043 246 A HN 0.568 nan 8.150 nan 0.000 0.488 247 P HA -0.172 nan 4.420 nan 0.000 0.217 247 P C 1.207 178.537 177.300 0.050 0.000 1.148 247 P CA 1.594 64.719 63.100 0.042 0.000 0.828 247 P CB 0.335 32.054 31.700 0.033 0.000 0.783 248 E N -0.620 119.632 120.200 0.087 0.000 2.072 248 E HA -0.125 4.225 4.350 -0.001 0.000 0.190 248 E C 1.996 178.678 176.600 0.138 0.000 0.982 248 E CA 0.976 57.455 56.400 0.130 0.000 0.803 248 E CB -0.457 29.386 29.700 0.239 0.000 0.755 248 E HN 0.056 nan 8.360 nan 0.000 0.453 249 A N 1.152 124.073 122.820 0.167 0.000 1.933 249 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 249 A C 2.097 179.728 177.584 0.078 0.000 1.175 249 A CA 1.292 53.430 52.037 0.168 0.000 0.628 249 A CB -0.410 18.679 19.000 0.149 0.000 0.814 249 A HN 0.144 nan 8.150 nan 0.000 0.444 250 R N -1.107 119.427 120.500 0.056 0.000 2.083 250 R HA -0.197 4.142 4.340 -0.001 0.000 0.237 250 R C 2.504 178.806 176.300 0.002 0.000 1.137 250 R CA 1.803 57.926 56.100 0.038 0.000 0.951 250 R CB -0.300 30.020 30.300 0.033 0.000 0.851 250 R HN 0.648 nan 8.270 nan 0.000 0.434 251 Q N 0.497 120.278 119.800 -0.031 0.000 2.167 251 Q HA -0.057 4.282 4.340 -0.001 0.000 0.202 251 Q C 1.824 177.732 176.000 -0.153 0.000 0.970 251 Q CA 1.770 57.525 55.803 -0.081 0.000 0.855 251 Q CB -0.072 28.610 28.738 -0.093 0.000 0.911 251 Q HN 0.349 nan 8.270 nan 0.000 0.438 252 A N -0.048 122.646 122.820 -0.211 0.000 1.929 252 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 252 A C 2.052 179.542 177.584 -0.156 0.000 1.176 252 A CA 1.145 52.975 52.037 -0.345 0.000 0.628 252 A CB -0.517 18.142 19.000 -0.567 0.000 0.816 252 A HN 0.466 nan 8.150 nan 0.000 0.444 253 I N -1.056 119.491 120.570 -0.038 0.000 2.286 253 I HA -0.192 3.978 4.170 -0.001 0.000 0.245 253 I C 2.661 178.809 176.117 0.052 0.000 1.104 253 I CA 1.456 62.788 61.300 0.054 0.000 1.397 253 I CB -0.186 37.881 38.000 0.112 0.000 1.072 253 I HN 0.270 nan 8.210 nan 0.000 0.417 254 R N 0.886 121.395 120.500 0.015 0.000 2.081 254 R HA -0.141 4.198 4.340 -0.001 0.000 0.235 254 R C 2.384 178.663 176.300 -0.036 0.000 1.131 254 R CA 2.104 58.209 56.100 0.009 0.000 0.960 254 R CB -0.889 29.408 30.300 -0.006 0.000 0.856 254 R HN 0.191 nan 8.270 nan 0.000 0.436 255 S N -0.398 115.249 115.700 -0.089 0.000 2.355 255 S HA -0.001 4.469 4.470 -0.001 0.000 0.222 255 S C 1.880 176.383 174.600 -0.162 0.000 1.031 255 S CA 1.140 59.265 58.200 -0.124 0.000 0.993 255 S CB -0.252 62.847 63.200 -0.168 0.000 0.859 255 S HN 0.400 nan 8.310 nan 0.000 0.453 256 L N 0.769 121.866 121.223 -0.211 0.000 2.131 256 L HA -0.093 4.247 4.340 -0.001 0.000 0.210 256 L C 2.681 179.242 176.870 -0.515 0.000 1.092 256 L CA 1.354 55.963 54.840 -0.385 0.000 0.759 256 L CB -0.787 41.028 42.059 -0.407 0.000 0.903 256 L HN 0.358 nan 8.230 nan 0.000 0.435 257 T N -1.134 113.310 114.554 -0.183 0.000 2.701 257 T HA -0.141 4.208 4.350 -0.001 0.000 0.263 257 T C 1.805 176.505 174.700 0.001 0.000 1.040 257 T CA 1.039 63.165 62.100 0.044 0.000 1.147 257 T CB -0.025 68.948 68.868 0.175 0.000 0.865 257 T HN 0.237 nan 8.240 nan 0.000 0.426 258 E N 0.868 121.052 120.200 -0.026 0.000 2.208 258 E HA 0.014 4.364 4.350 -0.001 0.000 0.193 258 E C 2.308 178.886 176.600 -0.037 0.000 0.988 258 E CA 0.787 57.176 56.400 -0.018 0.000 0.828 258 E CB -0.009 29.678 29.700 -0.020 0.000 0.763 258 E HN 0.425 nan 8.360 nan 0.000 0.478 259 R N -0.644 119.804 120.500 -0.086 0.000 2.237 259 R HA 0.096 4.436 4.340 -0.001 0.000 0.195 259 R C 1.810 178.046 176.300 -0.107 0.000 0.956 259 R CA 0.222 56.272 56.100 -0.084 0.000 1.029 259 R CB 0.308 30.551 30.300 -0.095 0.000 0.972 259 R HN 0.021 nan 8.270 nan 0.000 0.493 260 L N -1.859 119.255 121.223 -0.182 0.000 2.738 260 L HA 0.188 4.528 4.340 -0.001 0.000 0.175 260 L C 1.396 178.250 176.870 -0.027 0.000 1.125 260 L CA 0.853 55.588 54.840 -0.176 0.000 0.857 260 L CB -0.489 41.369 42.059 -0.335 0.000 1.300 260 L HN -0.132 nan 8.230 nan 0.000 0.499 261 Y N 0.911 121.228 120.300 0.028 0.000 2.081 261 Y HA -0.186 4.363 4.550 -0.001 0.000 0.280 261 Y C 2.746 178.655 175.900 0.016 0.000 1.163 261 Y CA 1.967 60.091 58.100 0.039 0.000 1.135 261 Y CB -1.722 36.783 38.460 0.075 0.000 0.970 261 Y HN 0.230 nan 8.280 nan 0.000 0.498 262 V N -2.479 117.533 119.914 0.163 0.000 2.594 262 V HA 0.244 4.364 4.120 -0.001 0.000 0.253 262 V C 1.075 177.191 176.094 0.036 0.000 1.069 262 V CA 1.339 63.689 62.300 0.082 0.000 1.082 262 V CB -1.116 30.742 31.823 0.058 0.000 0.680 262 V HN 0.491 nan 8.190 nan 0.000 0.469 263 G N -2.394 106.414 108.800 0.013 0.000 2.327 263 G HA2 0.611 4.571 3.960 -0.001 0.000 0.291 263 G HA3 0.611 4.571 3.960 -0.001 0.000 0.291 263 G C -0.452 174.343 174.900 -0.175 0.000 1.290 263 G CA -0.111 44.950 45.100 -0.064 0.000 0.857 263 G HN 1.720 nan 8.290 nan 0.000 0.520 264 G N -0.891 107.583 108.800 -0.544 0.000 2.345 264 G HA2 0.619 4.579 3.960 -0.001 0.000 0.310 264 G HA3 0.619 4.579 3.960 -0.001 0.000 0.310 264 G C -3.443 170.799 174.900 -1.096 0.000 1.476 264 G CA 0.154 44.809 45.100 -0.741 0.000 0.978 264 G HN 0.838 nan 8.290 nan 0.000 0.656 265 P HA 0.451 nan 4.420 nan 0.000 0.272 265 P C -0.493 176.659 177.300 -0.246 0.000 1.223 265 P CA 0.012 62.875 63.100 -0.396 0.000 0.784 265 P CB 0.897 32.554 31.700 -0.071 0.000 0.923 266 M N 1.223 120.725 119.600 -0.163 0.000 2.518 266 M HA 0.429 4.909 4.480 -0.001 0.000 0.300 266 M C 0.118 176.382 176.300 -0.060 0.000 1.175 266 M CA -0.421 54.807 55.300 -0.120 0.000 0.890 266 M CB 2.688 35.229 32.600 -0.099 0.000 1.710 266 M HN 0.303 nan 8.290 nan 0.000 0.453 267 T N -1.520 112.991 114.554 -0.073 0.000 2.924 267 T HA 0.647 4.997 4.350 -0.001 0.000 0.291 267 T C -0.434 174.247 174.700 -0.033 0.000 1.045 267 T CA -1.074 61.003 62.100 -0.038 0.000 1.015 267 T CB 1.215 70.053 68.868 -0.051 0.000 1.103 267 T HN 0.733 nan 8.240 nan 0.000 0.496 268 N N 0.278 118.979 118.700 0.001 0.000 2.374 268 N HA 0.220 4.960 4.740 -0.001 0.000 0.284 268 N C 1.521 177.032 175.510 0.003 0.000 1.280 268 N CA -0.230 52.828 53.050 0.014 0.000 0.963 268 N CB -0.179 38.325 38.487 0.029 0.000 1.141 268 N HN 0.685 nan 8.380 nan 0.000 0.565 269 S N -1.125 114.590 115.700 0.024 0.000 2.399 269 S HA -0.141 4.329 4.470 -0.001 0.000 0.231 269 S C 1.063 175.667 174.600 0.007 0.000 1.022 269 S CA 0.831 59.047 58.200 0.027 0.000 0.983 269 S CB -0.512 62.715 63.200 0.045 0.000 0.803 269 S HN 0.589 nan 8.310 nan 0.000 0.480 270 K N 1.057 121.461 120.400 0.007 0.000 2.522 270 K HA 0.245 4.565 4.320 -0.001 0.000 0.194 270 K C 1.157 177.752 176.600 -0.007 0.000 1.026 270 K CA 0.321 56.609 56.287 0.002 0.000 1.119 270 K CB -0.451 32.054 32.500 0.008 0.000 0.856 270 K HN 0.574 nan 8.250 nan 0.000 0.513 271 G N 1.732 110.523 108.800 -0.016 0.000 2.153 271 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.252 271 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.252 271 G C -0.173 174.719 174.900 -0.013 0.000 0.994 271 G CA 0.187 45.271 45.100 -0.026 0.000 0.698 271 G HN 0.400 nan 8.290 nan 0.000 0.521 272 Q N -0.331 119.469 119.800 0.000 0.000 2.260 272 Q HA 0.259 4.598 4.340 -0.001 0.000 0.238 272 Q C 0.510 176.521 176.000 0.019 0.000 0.948 272 Q CA -0.538 55.273 55.803 0.013 0.000 0.895 272 Q CB 0.830 29.581 28.738 0.022 0.000 1.218 272 Q HN 0.420 nan 8.270 nan 0.000 0.470 273 N N 0.907 119.623 118.700 0.028 0.000 2.406 273 N HA -0.025 4.714 4.740 -0.001 0.000 0.265 273 N C 0.164 175.713 175.510 0.064 0.000 1.203 273 N CA -0.416 52.656 53.050 0.037 0.000 0.945 273 N CB 0.427 38.939 38.487 0.042 0.000 1.165 273 N HN 0.557 nan 8.380 nan 0.000 0.485 274 C N 3.067 122.411 119.300 0.073 0.000 2.524 274 C HA 0.452 4.912 4.460 -0.001 0.000 0.284 274 C C 1.107 176.216 174.990 0.199 0.000 1.346 274 C CA 0.957 60.067 59.018 0.153 0.000 1.739 274 C CB -0.940 26.904 27.740 0.173 0.000 2.119 274 C HN 0.902 nan 8.230 nan 0.000 0.501 275 G N -2.208 106.619 108.800 0.045 0.000 2.340 275 G HA2 0.390 4.350 3.960 -0.001 0.000 0.299 275 G HA3 0.390 4.350 3.960 -0.001 0.000 0.299 275 G C -2.311 172.517 174.900 -0.119 0.000 1.291 275 G CA -0.366 44.675 45.100 -0.098 0.000 0.841 275 G HN 0.129 nan 8.290 nan 0.000 0.500 276 Y N 0.720 120.855 120.300 -0.276 0.000 2.376 276 Y HA 0.714 5.264 4.550 0.000 0.000 0.340 276 Y C 0.441 176.235 175.900 -0.176 0.000 0.965 276 Y CA -0.850 57.143 58.100 -0.178 0.000 1.078 276 Y CB 1.743 40.121 38.460 -0.137 0.000 1.193 276 Y HN 0.607 nan 8.280 nan 0.000 0.452 277 R N 5.282 125.575 120.500 -0.346 0.000 2.312 277 R HA 0.469 4.809 4.340 -0.001 0.000 0.311 277 R C -0.540 175.640 176.300 -0.199 0.000 1.004 277 R CA -0.424 55.538 56.100 -0.230 0.000 0.902 277 R CB 0.650 30.872 30.300 -0.130 0.000 1.073 277 R HN 0.872 nan 8.270 nan 0.000 0.457 278 R N 3.699 124.042 120.500 -0.261 0.000 2.668 278 R HA 0.203 4.543 4.340 -0.001 0.000 0.435 278 R C -0.580 175.591 176.300 -0.214 0.000 1.059 278 R CA -0.295 55.717 56.100 -0.147 0.000 1.073 278 R CB 0.446 30.697 30.300 -0.083 0.000 1.401 278 R HN 0.790 nan 8.270 nan 0.000 0.590 279 C N -1.898 117.234 119.300 -0.280 0.000 3.321 279 C HA 0.613 5.072 4.460 -0.001 0.000 0.363 279 C C -0.214 174.714 174.990 -0.104 0.000 1.705 279 C CA -1.478 57.405 59.018 -0.225 0.000 1.298 279 C CB 1.159 28.680 27.740 -0.364 0.000 2.086 279 C HN 0.345 nan 8.230 nan 0.000 0.438 280 R N 1.279 121.761 120.500 -0.031 0.000 2.538 280 R HA 0.470 4.810 4.340 -0.001 0.000 0.282 280 R C 0.061 176.415 176.300 0.090 0.000 1.009 280 R CA 0.976 57.111 56.100 0.059 0.000 1.063 280 R CB -0.190 30.186 30.300 0.127 0.000 0.945 280 R HN 1.210 nan 8.270 nan 0.000 0.414 281 A N 3.522 126.411 122.820 0.116 0.000 2.366 281 A HA 0.260 4.580 4.320 -0.001 0.000 0.272 281 A C 0.885 178.565 177.584 0.160 0.000 1.135 281 A CA 0.024 52.150 52.037 0.149 0.000 0.804 281 A CB 0.512 19.614 19.000 0.171 0.000 1.064 281 A HN 0.999 nan 8.150 nan 0.000 0.499 282 S N 1.970 117.781 115.700 0.185 0.000 2.461 282 S HA 0.088 4.558 4.470 -0.001 0.000 0.228 282 S C 1.076 175.774 174.600 0.163 0.000 1.005 282 S CA 0.702 59.006 58.200 0.174 0.000 0.942 282 S CB 0.116 63.429 63.200 0.189 0.000 0.776 282 S HN 1.249 nan 8.310 nan 0.000 0.514 283 G N 2.033 110.953 108.800 0.200 0.000 4.644 283 G HA2 0.532 4.492 3.960 -0.001 0.000 0.307 283 G HA3 0.532 4.492 3.960 -0.001 0.000 0.307 283 G C -0.087 174.940 174.900 0.212 0.000 1.331 283 G CA -0.230 44.993 45.100 0.206 0.000 1.059 283 G HN 0.459 nan 8.290 nan 0.000 0.590 284 V N -2.389 117.631 119.914 0.178 0.000 3.166 284 V HA 0.592 4.711 4.120 -0.001 0.000 0.317 284 V C 1.391 177.565 176.094 0.133 0.000 1.136 284 V CA -0.929 61.494 62.300 0.205 0.000 1.035 284 V CB 1.532 33.538 31.823 0.305 0.000 1.110 284 V HN 0.056 nan 8.190 nan 0.000 0.450 285 L N 1.654 122.970 121.223 0.154 0.000 2.141 285 L HA -0.003 4.337 4.340 -0.001 0.000 0.209 285 L C 2.304 179.173 176.870 -0.001 0.000 1.094 285 L CA 2.938 57.842 54.840 0.107 0.000 0.763 285 L CB -0.821 41.333 42.059 0.157 0.000 0.908 285 L HN 1.074 nan 8.230 nan 0.000 0.437 286 T N -5.583 108.897 114.554 -0.123 0.000 3.148 286 T HA -0.006 4.343 4.350 -0.001 0.000 0.253 286 T C 1.586 176.201 174.700 -0.141 0.000 1.134 286 T CA 0.736 62.703 62.100 -0.221 0.000 1.051 286 T CB -0.752 67.829 68.868 -0.479 0.000 0.959 286 T HN 0.256 nan 8.240 nan 0.000 0.525 287 T N 2.298 116.806 114.554 -0.078 0.000 2.580 287 T HA -0.205 4.145 4.350 -0.001 0.000 0.265 287 T C 2.204 176.889 174.700 -0.025 0.000 1.063 287 T CA 1.960 64.050 62.100 -0.017 0.000 1.170 287 T CB -0.873 68.014 68.868 0.031 0.000 0.863 287 T HN 0.556 nan 8.240 nan 0.000 0.418 288 S N -0.155 115.501 115.700 -0.073 0.000 2.359 288 S HA -0.193 4.277 4.470 -0.001 0.000 0.224 288 S C 2.453 177.002 174.600 -0.085 0.000 1.035 288 S CA 1.722 59.848 58.200 -0.124 0.000 1.018 288 S CB -1.033 61.975 63.200 -0.321 0.000 0.876 288 S HN 0.668 nan 8.310 nan 0.000 0.448 289 C N 1.161 120.390 119.300 -0.118 0.000 2.432 289 C HA 0.100 4.559 4.460 -0.001 0.000 0.277 289 C C 2.857 177.859 174.990 0.020 0.000 1.249 289 C CA 1.124 60.097 59.018 -0.074 0.000 1.725 289 C CB -1.854 25.812 27.740 -0.122 0.000 2.028 289 C HN 0.724 nan 8.230 nan 0.000 0.477 290 G N 0.547 109.369 108.800 0.038 0.000 2.421 290 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 290 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 290 G C 1.511 176.482 174.900 0.118 0.000 1.171 290 G CA 1.086 46.234 45.100 0.081 0.000 0.775 290 G HN 0.599 nan 8.290 nan 0.000 0.543 291 N N 0.484 119.248 118.700 0.108 0.000 2.120 291 N HA -0.086 4.654 4.740 -0.001 0.000 0.188 291 N C 2.385 177.917 175.510 0.037 0.000 1.024 291 N CA 1.636 54.747 53.050 0.101 0.000 0.852 291 N CB -0.814 37.606 38.487 -0.111 0.000 1.003 291 N HN 0.243 nan 8.380 nan 0.000 0.424 292 T N 1.717 116.306 114.554 0.059 0.000 2.746 292 T HA -0.019 4.330 4.350 -0.001 0.000 0.267 292 T C 2.132 176.920 174.700 0.148 0.000 1.039 292 T CA 0.674 62.848 62.100 0.123 0.000 1.142 292 T CB -0.212 68.794 68.868 0.230 0.000 0.866 292 T HN 0.141 nan 8.240 nan 0.000 0.444 293 L N 0.464 121.750 121.223 0.104 0.000 2.056 293 L HA -0.080 4.260 4.340 -0.001 0.000 0.207 293 L C 2.902 179.873 176.870 0.169 0.000 1.078 293 L CA 1.163 56.055 54.840 0.087 0.000 0.749 293 L CB -0.739 41.331 42.059 0.018 0.000 0.901 293 L HN 0.266 nan 8.230 nan 0.000 0.433 294 T N -1.576 113.096 114.554 0.197 0.000 2.904 294 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 294 T C 1.971 176.876 174.700 0.342 0.000 1.059 294 T CA 1.193 63.441 62.100 0.247 0.000 1.137 294 T CB -0.338 68.697 68.868 0.278 0.000 0.879 294 T HN 0.453 nan 8.240 nan 0.000 0.467 295 C N 0.776 120.325 119.300 0.414 0.000 2.453 295 C HA -0.072 4.388 4.460 -0.001 0.000 0.277 295 C C 2.390 177.545 174.990 0.275 0.000 1.262 295 C CA 0.513 59.773 59.018 0.403 0.000 1.718 295 C CB -1.384 26.468 27.740 0.186 0.000 2.031 295 C HN 0.665 nan 8.230 nan 0.000 0.480 296 Y N 1.108 121.483 120.300 0.125 0.000 2.165 296 Y HA -0.140 4.409 4.550 -0.001 0.000 0.286 296 Y C 2.156 178.088 175.900 0.052 0.000 1.155 296 Y CA 2.134 60.285 58.100 0.086 0.000 1.164 296 Y CB -0.578 37.918 38.460 0.060 0.000 0.978 296 Y HN 0.344 nan 8.280 nan 0.000 0.513 297 L N 1.095 122.391 121.223 0.122 0.000 1.994 297 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 297 L C 2.138 178.912 176.870 -0.159 0.000 1.071 297 L CA 2.040 56.834 54.840 -0.075 0.000 0.745 297 L CB -0.895 41.108 42.059 -0.093 0.000 0.892 297 L HN 0.170 nan 8.230 nan 0.000 0.431 298 K N -0.467 119.914 120.400 -0.031 0.000 2.026 298 K HA -0.069 4.250 4.320 -0.001 0.000 0.208 298 K C 2.102 178.732 176.600 0.051 0.000 1.048 298 K CA 1.351 57.647 56.287 0.014 0.000 0.929 298 K CB -0.485 32.106 32.500 0.152 0.000 0.713 298 K HN 0.471 nan 8.250 nan 0.000 0.439 299 A N 1.586 124.414 122.820 0.014 0.000 1.933 299 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 299 A C 2.370 179.979 177.584 0.041 0.000 1.175 299 A CA 1.918 53.986 52.037 0.052 0.000 0.628 299 A CB -0.693 18.406 19.000 0.165 0.000 0.814 299 A HN 0.346 nan 8.150 nan 0.000 0.444 300 A N -0.483 122.235 122.820 -0.171 0.000 1.968 300 A HA 0.276 4.595 4.320 -0.001 0.000 0.217 300 A C 2.415 179.947 177.584 -0.086 0.000 1.169 300 A CA 1.742 53.648 52.037 -0.219 0.000 0.638 300 A CB -0.749 17.923 19.000 -0.546 0.000 0.812 300 A HN 0.965 nan 8.150 nan 0.000 0.446 301 A N -0.221 122.577 122.820 -0.037 0.000 1.929 301 A HA 0.305 4.624 4.320 -0.001 0.000 0.216 301 A C 2.440 180.075 177.584 0.086 0.000 1.176 301 A CA 1.600 53.687 52.037 0.084 0.000 0.628 301 A CB -0.824 18.280 19.000 0.174 0.000 0.816 301 A HN 0.904 nan 8.150 nan 0.000 0.444 302 A N -0.729 122.141 122.820 0.084 0.000 1.902 302 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 302 A C 2.273 179.859 177.584 0.003 0.000 1.181 302 A CA 1.618 53.563 52.037 -0.152 0.000 0.623 302 A CB -1.366 17.203 19.000 -0.718 0.000 0.818 302 A HN 0.573 nan 8.150 nan 0.000 0.443 303 C N -0.771 118.641 119.300 0.187 0.000 2.391 303 C HA -0.170 4.290 4.460 -0.001 0.000 0.276 303 C C 2.915 177.917 174.990 0.020 0.000 1.217 303 C CA 1.374 60.525 59.018 0.221 0.000 1.766 303 C CB -1.396 26.431 27.740 0.145 0.000 2.046 303 C HN 0.604 nan 8.230 nan 0.000 0.475 304 R N 0.813 121.232 120.500 -0.135 0.000 2.073 304 R HA -0.097 4.243 4.340 -0.001 0.000 0.234 304 R C 2.418 178.460 176.300 -0.430 0.000 1.134 304 R CA 1.622 57.518 56.100 -0.340 0.000 0.952 304 R CB -0.571 29.364 30.300 -0.609 0.000 0.850 304 R HN 0.554 nan 8.270 nan 0.000 0.433 305 A N 1.210 123.762 122.820 -0.448 0.000 1.972 305 A HA -0.065 4.255 4.320 -0.001 0.000 0.219 305 A C 2.246 179.787 177.584 -0.072 0.000 1.169 305 A CA 1.633 53.549 52.037 -0.200 0.000 0.635 305 A CB -0.417 18.511 19.000 -0.121 0.000 0.810 305 A HN 0.398 nan 8.150 nan 0.000 0.446 306 A N -1.670 121.129 122.820 -0.035 0.000 2.169 306 A HA 0.202 4.522 4.320 -0.001 0.000 0.212 306 A C 0.943 178.537 177.584 0.017 0.000 1.153 306 A CA 0.847 52.899 52.037 0.026 0.000 0.756 306 A CB -0.115 18.960 19.000 0.125 0.000 0.813 306 A HN 0.297 nan 8.150 nan 0.000 0.471 307 K N -0.784 119.615 120.400 -0.001 0.000 3.096 307 K HA -0.162 4.158 4.320 -0.001 0.000 0.266 307 K C -0.394 176.216 176.600 0.017 0.000 1.043 307 K CA 0.516 56.807 56.287 0.006 0.000 0.758 307 K CB -2.450 30.056 32.500 0.011 0.000 1.260 307 K HN 0.585 nan 8.250 nan 0.000 0.481 308 L N 0.887 122.129 121.223 0.031 0.000 2.467 308 L HA 0.024 4.364 4.340 -0.001 0.000 0.270 308 L C 1.206 178.087 176.870 0.018 0.000 1.205 308 L CA 0.293 55.154 54.840 0.034 0.000 0.828 308 L CB 0.292 42.391 42.059 0.067 0.000 1.101 308 L HN 0.139 nan 8.230 nan 0.000 0.479 309 Q N 1.181 120.986 119.800 0.007 0.000 2.271 309 Q HA 0.130 4.470 4.340 -0.001 0.000 0.258 309 Q C -0.351 175.640 176.000 -0.016 0.000 0.936 309 Q CA -0.611 55.190 55.803 -0.004 0.000 0.909 309 Q CB 1.243 29.975 28.738 -0.010 0.000 1.253 309 Q HN 0.534 nan 8.270 nan 0.000 0.440 310 D N 1.048 121.441 120.400 -0.012 0.000 2.692 310 D HA -0.192 4.448 4.640 -0.001 0.000 0.233 310 D C -0.714 175.569 176.300 -0.027 0.000 1.172 310 D CA 0.304 54.293 54.000 -0.019 0.000 0.636 310 D CB -0.864 39.916 40.800 -0.034 0.000 1.028 310 D HN 0.641 nan 8.370 nan 0.000 0.419 311 C N -0.476 118.817 119.300 -0.012 0.000 2.593 311 C HA 0.751 5.210 4.460 -0.001 0.000 0.409 311 C C 0.658 175.642 174.990 -0.010 0.000 1.304 311 C CA -0.593 58.413 59.018 -0.020 0.000 2.007 311 C CB 1.066 28.805 27.740 -0.003 0.000 2.614 311 C HN 0.419 nan 8.230 nan 0.000 0.585 312 T N 5.414 119.951 114.554 -0.028 0.000 2.812 312 T HA 0.539 4.889 4.350 -0.001 0.000 0.282 312 T C -0.278 174.432 174.700 0.018 0.000 0.990 312 T CA -0.146 61.965 62.100 0.018 0.000 0.960 312 T CB 1.147 70.003 68.868 -0.020 0.000 0.948 312 T HN 0.768 nan 8.240 nan 0.000 0.438 313 M N 3.033 122.689 119.600 0.092 0.000 2.472 313 M HA 0.615 5.094 4.480 -0.001 0.000 0.331 313 M C -1.187 175.220 176.300 0.178 0.000 1.170 313 M CA -1.025 54.325 55.300 0.082 0.000 1.009 313 M CB 1.782 34.437 32.600 0.092 0.000 1.672 313 M HN 0.305 nan 8.290 nan 0.000 0.453 314 L N 3.440 124.734 121.223 0.118 0.000 2.415 314 L HA 0.595 4.935 4.340 -0.001 0.000 0.268 314 L C -1.448 175.443 176.870 0.034 0.000 0.984 314 L CA -0.459 54.453 54.840 0.119 0.000 0.853 314 L CB 1.551 43.692 42.059 0.137 0.000 1.215 314 L HN 0.460 nan 8.230 nan 0.000 0.419 315 V N 3.953 123.885 119.914 0.030 0.000 2.459 315 V HA 0.600 4.720 4.120 -0.001 0.000 0.295 315 V C -0.476 175.515 176.094 -0.172 0.000 1.029 315 V CA -0.616 61.685 62.300 0.003 0.000 0.874 315 V CB 1.799 33.712 31.823 0.150 0.000 0.985 315 V HN 0.779 nan 8.190 nan 0.000 0.438 316 N N 3.310 121.873 118.700 -0.227 0.000 2.648 316 N HA 0.591 5.331 4.740 -0.001 0.000 0.261 316 N C 0.522 175.986 175.510 -0.077 0.000 1.138 316 N CA 0.591 53.360 53.050 -0.468 0.000 0.804 316 N CB 1.689 39.722 38.487 -0.758 0.000 1.237 316 N HN 1.113 nan 8.380 nan 0.000 0.532 317 G N 2.337 111.216 108.800 0.133 0.000 2.574 317 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.301 317 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.301 317 G C 0.499 175.260 174.900 -0.232 0.000 1.166 317 G CA 0.799 45.907 45.100 0.013 0.000 0.971 317 G HN 0.596 nan 8.290 nan 0.000 0.542 318 D N 1.251 121.441 120.400 -0.351 0.000 2.360 318 D HA 0.200 4.839 4.640 -0.001 0.000 0.210 318 D C 0.526 176.742 176.300 -0.139 0.000 1.047 318 D CA 0.717 54.376 54.000 -0.567 0.000 0.854 318 D CB -0.091 40.320 40.800 -0.648 0.000 0.936 318 D HN 0.442 nan 8.370 nan 0.000 0.514 319 D N 0.262 120.617 120.400 -0.075 0.000 2.339 319 D HA 0.305 4.944 4.640 -0.001 0.000 0.256 319 D C -1.069 175.234 176.300 0.005 0.000 1.214 319 D CA -0.327 53.666 54.000 -0.012 0.000 0.877 319 D CB 0.531 41.310 40.800 -0.034 0.000 1.111 319 D HN 0.020 nan 8.370 nan 0.000 0.478 320 L N 5.063 126.330 121.223 0.074 0.000 2.385 320 L HA 0.669 5.009 4.340 -0.001 0.000 0.273 320 L C -1.786 175.093 176.870 0.016 0.000 0.990 320 L CA -0.860 54.029 54.840 0.081 0.000 0.821 320 L CB 1.877 44.055 42.059 0.199 0.000 1.279 320 L HN 0.221 nan 8.230 nan 0.000 0.412 321 V N 6.020 125.892 119.914 -0.070 0.000 2.638 321 V HA 0.742 4.862 4.120 -0.001 0.000 0.306 321 V C -1.357 174.560 176.094 -0.296 0.000 1.052 321 V CA -0.371 61.819 62.300 -0.183 0.000 0.885 321 V CB 2.357 34.115 31.823 -0.109 0.000 0.999 321 V HN 0.582 nan 8.190 nan 0.000 0.424 322 V N 7.831 127.367 119.914 -0.630 0.000 2.540 322 V HA 0.594 4.714 4.120 -0.001 0.000 0.302 322 V C -0.311 175.501 176.094 -0.469 0.000 1.035 322 V CA -0.458 61.447 62.300 -0.658 0.000 0.873 322 V CB 1.825 32.930 31.823 -1.196 0.000 0.992 322 V HN 0.733 nan 8.190 nan 0.000 0.428 323 I N 4.911 125.348 120.570 -0.222 0.000 2.465 323 I HA 0.732 4.901 4.170 -0.001 0.000 0.291 323 I C -0.142 175.908 176.117 -0.111 0.000 1.014 323 I CA -0.368 60.864 61.300 -0.114 0.000 1.093 323 I CB 1.843 39.821 38.000 -0.037 0.000 1.267 323 I HN 0.887 nan 8.210 nan 0.000 0.431 324 C N 2.198 121.431 119.300 -0.111 0.000 3.316 324 C HA 0.645 5.105 4.460 -0.001 0.000 0.360 324 C C -0.485 174.427 174.990 -0.129 0.000 1.560 324 C CA -0.885 58.077 59.018 -0.094 0.000 1.229 324 C CB 1.380 29.101 27.740 -0.031 0.000 1.823 324 C HN 0.733 nan 8.230 nan 0.000 0.440 325 E N 1.345 121.490 120.200 -0.092 0.000 2.229 325 E HA 0.486 4.835 4.350 -0.001 0.000 0.283 325 E C 0.132 176.703 176.600 -0.049 0.000 1.030 325 E CA 0.440 56.784 56.400 -0.093 0.000 0.836 325 E CB 1.192 30.851 29.700 -0.069 0.000 1.068 325 E HN 0.822 nan 8.360 nan 0.000 0.401 326 S N 2.875 118.555 115.700 -0.034 0.000 2.576 326 S HA 0.455 4.925 4.470 -0.001 0.000 0.276 326 S C 0.189 174.801 174.600 0.019 0.000 1.339 326 S CA 0.134 58.356 58.200 0.037 0.000 1.039 326 S CB 0.781 64.069 63.200 0.145 0.000 0.902 326 S HN 0.581 nan 8.310 nan 0.000 0.516 327 A N 2.862 125.701 122.820 0.031 0.000 2.594 327 A HA 0.666 4.986 4.320 -0.001 0.000 0.287 327 A C 0.758 178.350 177.584 0.014 0.000 1.227 327 A CA 0.140 52.184 52.037 0.013 0.000 0.952 327 A CB -0.803 18.202 19.000 0.009 0.000 1.161 327 A HN 1.913 nan 8.150 nan 0.000 0.524 328 G N -1.042 107.770 108.800 0.021 0.000 2.674 328 G HA2 0.093 4.053 3.960 -0.001 0.000 0.686 328 G HA3 0.093 4.053 3.960 -0.001 0.000 0.686 328 G C 0.581 175.502 174.900 0.034 0.000 1.195 328 G CA 0.178 45.279 45.100 0.002 0.000 0.776 328 G HN 1.222 nan 8.290 nan 0.000 0.654 329 T N -1.589 112.965 114.554 -0.000 0.000 2.720 329 T HA -0.173 4.176 4.350 -0.001 0.000 0.268 329 T C 2.015 176.750 174.700 0.059 0.000 1.037 329 T CA 2.363 64.495 62.100 0.054 0.000 1.144 329 T CB -0.269 68.585 68.868 -0.025 0.000 0.864 329 T HN 0.695 nan 8.240 nan 0.000 0.444 330 Q N 0.533 120.346 119.800 0.022 0.000 2.123 330 Q HA -0.065 4.275 4.340 -0.001 0.000 0.199 330 Q C 2.491 178.500 176.000 0.015 0.000 0.966 330 Q CA 1.541 57.354 55.803 0.016 0.000 0.845 330 Q CB -0.147 28.594 28.738 0.004 0.000 0.907 330 Q HN 0.603 nan 8.270 nan 0.000 0.439 331 E N 0.776 120.985 120.200 0.016 0.000 2.106 331 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 331 E C 1.476 178.083 176.600 0.011 0.000 0.984 331 E CA 1.113 57.519 56.400 0.011 0.000 0.806 331 E CB 0.024 29.730 29.700 0.009 0.000 0.750 331 E HN 0.258 nan 8.360 nan 0.000 0.458 332 D N -0.016 120.404 120.400 0.033 0.000 2.117 332 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 332 D C 1.819 178.106 176.300 -0.022 0.000 0.987 332 D CA 1.499 55.514 54.000 0.024 0.000 0.829 332 D CB -0.378 40.485 40.800 0.106 0.000 0.961 332 D HN 0.213 nan 8.370 nan 0.000 0.460 333 A N 0.907 123.728 122.820 0.002 0.000 1.877 333 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 333 A C 2.305 179.867 177.584 -0.037 0.000 1.186 333 A CA 2.348 54.372 52.037 -0.022 0.000 0.620 333 A CB -0.818 18.184 19.000 0.005 0.000 0.822 333 A HN 0.237 nan 8.150 nan 0.000 0.443 334 A N 0.398 123.206 122.820 -0.020 0.000 1.902 334 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 334 A C 2.505 180.073 177.584 -0.026 0.000 1.181 334 A CA 2.405 54.431 52.037 -0.019 0.000 0.623 334 A CB -1.058 17.937 19.000 -0.009 0.000 0.818 334 A HN 0.995 nan 8.150 nan 0.000 0.443 335 S N -0.442 115.238 115.700 -0.033 0.000 2.382 335 S HA -0.131 4.339 4.470 -0.001 0.000 0.228 335 S C 1.717 176.279 174.600 -0.062 0.000 1.027 335 S CA 1.538 59.718 58.200 -0.034 0.000 0.991 335 S CB -0.519 62.661 63.200 -0.032 0.000 0.823 335 S HN 0.245 nan 8.310 nan 0.000 0.469 336 L N 1.762 122.899 121.223 -0.143 0.000 2.109 336 L HA 0.148 4.488 4.340 -0.001 0.000 0.207 336 L C 2.780 179.616 176.870 -0.055 0.000 1.086 336 L CA 1.440 56.135 54.840 -0.243 0.000 0.760 336 L CB -0.572 41.271 42.059 -0.360 0.000 0.910 336 L HN 0.257 nan 8.230 nan 0.000 0.437 337 R N -1.628 118.852 120.500 -0.034 0.000 2.148 337 R HA -0.071 4.269 4.340 -0.001 0.000 0.227 337 R C 2.052 178.357 176.300 0.009 0.000 1.103 337 R CA 1.042 57.142 56.100 0.000 0.000 0.983 337 R CB -0.332 29.961 30.300 -0.011 0.000 0.874 337 R HN 0.229 nan 8.270 nan 0.000 0.451 338 V N 0.421 120.340 119.914 0.007 0.000 2.446 338 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 338 V C 1.839 177.926 176.094 -0.011 0.000 1.039 338 V CA 1.302 63.596 62.300 -0.010 0.000 1.045 338 V CB -0.511 31.306 31.823 -0.009 0.000 0.681 338 V HN 0.183 nan 8.190 nan 0.000 0.459 339 F N 1.790 121.670 119.950 -0.116 0.000 2.091 339 F HA -0.276 4.251 4.527 -0.000 0.000 0.299 339 F C 2.402 178.127 175.800 -0.126 0.000 1.103 339 F CA 2.467 60.391 58.000 -0.127 0.000 1.228 339 F CB -0.602 38.310 39.000 -0.148 0.000 0.984 339 F HN 0.122 nan 8.300 nan 0.000 0.477 340 T N -0.169 114.468 114.554 0.139 0.000 2.833 340 T HA -0.203 4.146 4.350 -0.001 0.000 0.269 340 T C 1.715 176.390 174.700 -0.041 0.000 1.054 340 T CA 1.746 63.930 62.100 0.139 0.000 1.135 340 T CB -0.329 68.680 68.868 0.235 0.000 0.869 340 T HN 0.416 nan 8.240 nan 0.000 0.466 341 E N 0.580 120.729 120.200 -0.084 0.000 2.107 341 E HA 0.014 4.364 4.350 -0.001 0.000 0.191 341 E C 2.478 178.935 176.600 -0.238 0.000 0.982 341 E CA 0.844 57.171 56.400 -0.121 0.000 0.809 341 E CB -0.134 29.511 29.700 -0.092 0.000 0.756 341 E HN 0.474 nan 8.360 nan 0.000 0.459 342 A N 0.816 123.427 122.820 -0.349 0.000 1.897 342 A HA -0.157 4.163 4.320 -0.001 0.000 0.215 342 A C 2.090 179.232 177.584 -0.737 0.000 1.181 342 A CA 1.036 52.716 52.037 -0.594 0.000 0.620 342 A CB -0.249 18.414 19.000 -0.562 0.000 0.821 342 A HN 0.121 nan 8.150 nan 0.000 0.443 343 M N -0.138 119.119 119.600 -0.571 0.000 2.080 343 M HA -0.121 4.359 4.480 -0.001 0.000 0.260 343 M C 2.195 178.401 176.300 -0.157 0.000 1.068 343 M CA 2.121 57.201 55.300 -0.367 0.000 1.109 343 M CB -2.065 30.226 32.600 -0.514 0.000 1.342 343 M HN 0.429 nan 8.290 nan 0.000 0.405 344 T N 0.120 114.596 114.554 -0.130 0.000 2.759 344 T HA -0.145 4.204 4.350 -0.001 0.000 0.269 344 T C 2.012 176.656 174.700 -0.093 0.000 1.042 344 T CA 1.208 63.272 62.100 -0.060 0.000 1.140 344 T CB -0.187 68.653 68.868 -0.048 0.000 0.864 344 T HN 0.369 nan 8.240 nan 0.000 0.455 345 R N -0.150 120.233 120.500 -0.196 0.000 2.092 345 R HA 0.013 4.353 4.340 -0.001 0.000 0.231 345 R C 1.618 177.868 176.300 -0.082 0.000 1.119 345 R CA 1.032 57.021 56.100 -0.185 0.000 0.970 345 R CB -0.243 29.877 30.300 -0.301 0.000 0.864 345 R HN 0.551 nan 8.270 nan 0.000 0.440 346 Y N 0.279 120.516 120.300 -0.106 0.000 2.465 346 Y HA -0.010 4.539 4.550 -0.001 0.000 0.311 346 Y C 0.723 176.564 175.900 -0.099 0.000 1.204 346 Y CA -0.339 57.687 58.100 -0.123 0.000 1.272 346 Y CB 0.299 38.709 38.460 -0.084 0.000 1.083 346 Y HN 0.024 nan 8.280 nan 0.000 0.508 347 S N 0.800 116.533 115.700 0.056 0.000 3.886 347 S HA -0.156 4.314 4.470 -0.001 0.000 0.398 347 S C -0.224 174.386 174.600 0.015 0.000 0.931 347 S CA 0.337 58.553 58.200 0.026 0.000 1.217 347 S CB -1.326 61.876 63.200 0.003 0.000 0.874 347 S HN 0.693 nan 8.310 nan 0.000 0.521 348 A N 1.779 124.624 122.820 0.042 0.000 3.426 348 A HA 0.538 4.858 4.320 -0.001 0.000 0.222 348 A C -2.211 175.479 177.584 0.177 0.000 1.090 348 A CA -0.327 51.757 52.037 0.079 0.000 1.026 348 A CB 0.802 19.857 19.000 0.092 0.000 1.342 348 A HN 0.473 nan 8.150 nan 0.000 0.695 349 P HA 0.362 nan 4.420 nan 0.000 0.273 349 P C -2.896 174.462 177.300 0.096 0.000 1.250 349 P CA -0.804 62.353 63.100 0.095 0.000 0.793 349 P CB 0.677 32.367 31.700 -0.016 0.000 1.011 350 P HA 0.223 nan 4.420 nan 0.000 0.285 350 P C 0.293 177.529 177.300 -0.106 0.000 1.285 350 P CA -0.260 62.746 63.100 -0.157 0.000 0.854 350 P CB 1.568 33.083 31.700 -0.309 0.000 1.180 351 G N 0.217 108.950 108.800 -0.112 0.000 2.682 351 G HA2 0.062 4.022 3.960 -0.001 0.000 0.221 351 G HA3 0.062 4.022 3.960 -0.001 0.000 0.221 351 G C -0.255 174.601 174.900 -0.074 0.000 1.386 351 G CA 0.172 45.229 45.100 -0.071 0.000 0.909 351 G HN 0.436 nan 8.290 nan 0.000 0.558 352 D N 2.039 122.393 120.400 -0.077 0.000 2.304 352 D HA 0.399 5.039 4.640 -0.001 0.000 0.250 352 D C -2.333 173.917 176.300 -0.083 0.000 1.107 352 D CA -1.150 52.812 54.000 -0.062 0.000 0.885 352 D CB 1.396 42.168 40.800 -0.046 0.000 1.192 352 D HN 0.004 nan 8.370 nan 0.000 0.436 353 P HA 0.178 nan 4.420 nan 0.000 0.276 353 P C -2.315 174.972 177.300 -0.021 0.000 1.230 353 P CA -1.073 62.004 63.100 -0.037 0.000 0.776 353 P CB -0.019 31.671 31.700 -0.016 0.000 0.888 354 P HA 0.032 nan 4.420 nan 0.000 0.267 354 P C -0.849 176.441 177.300 -0.017 0.000 1.200 354 P CA 0.277 63.402 63.100 0.041 0.000 0.772 354 P CB 0.722 32.500 31.700 0.130 0.000 0.855 355 Q N 1.980 121.783 119.800 0.005 0.000 2.323 355 Q HA 0.382 4.722 4.340 -0.001 0.000 0.271 355 Q C -2.362 173.631 176.000 -0.012 0.000 1.048 355 Q CA -1.935 53.860 55.803 -0.014 0.000 0.792 355 Q CB 2.399 31.142 28.738 0.008 0.000 1.280 355 Q HN 0.424 nan 8.270 nan 0.000 0.441 356 P HA 0.159 nan 4.420 nan 0.000 0.269 356 P C -0.575 176.617 177.300 -0.179 0.000 1.209 356 P CA -0.021 62.996 63.100 -0.138 0.000 0.776 356 P CB 1.028 32.639 31.700 -0.149 0.000 0.876 357 E N 1.220 121.245 120.200 -0.291 0.000 2.272 357 E HA 0.352 4.701 4.350 -0.001 0.000 0.269 357 E C -1.083 175.352 176.600 -0.274 0.000 0.877 357 E CA -0.552 55.752 56.400 -0.161 0.000 0.755 357 E CB 1.051 30.743 29.700 -0.013 0.000 1.192 357 E HN 0.321 nan 8.360 nan 0.000 0.422 358 Y N 0.655 121.095 120.300 0.234 0.000 2.557 358 Y HA 0.381 4.930 4.550 -0.001 0.000 0.247 358 Y C -0.471 175.720 175.900 0.485 0.000 1.164 358 Y CA -0.472 57.826 58.100 0.330 0.000 1.218 358 Y CB 1.027 39.577 38.460 0.150 0.000 1.210 358 Y HN 0.359 nan 8.280 nan 0.000 0.529 359 D N 0.119 120.728 120.400 0.349 0.000 2.481 359 D HA 0.182 4.822 4.640 -0.001 0.000 0.246 359 D C 0.598 176.670 176.300 -0.380 0.000 1.109 359 D CA -0.322 53.722 54.000 0.074 0.000 0.845 359 D CB 2.021 42.847 40.800 0.042 0.000 1.160 359 D HN -0.071 nan 8.370 nan 0.000 0.534 360 L N 2.845 123.435 121.223 -1.054 0.000 2.079 360 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 360 L C 1.427 177.936 176.870 -0.602 0.000 1.081 360 L CA 1.918 55.981 54.840 -1.294 0.000 0.752 360 L CB -0.215 40.800 42.059 -1.739 0.000 0.896 360 L HN 0.466 nan 8.230 nan 0.000 0.433 361 E N -0.646 119.308 120.200 -0.410 0.000 2.478 361 E HA -0.105 4.244 4.350 -0.001 0.000 0.198 361 E C 1.630 178.127 176.600 -0.173 0.000 1.046 361 E CA 0.505 56.756 56.400 -0.248 0.000 0.870 361 E CB -0.122 29.480 29.700 -0.164 0.000 0.818 361 E HN 0.545 nan 8.360 nan 0.000 0.527 362 L N 0.909 122.034 121.223 -0.165 0.000 2.667 362 L HA 0.268 4.608 4.340 -0.001 0.000 0.232 362 L C 0.529 177.343 176.870 -0.093 0.000 1.138 362 L CA -0.152 54.631 54.840 -0.094 0.000 0.921 362 L CB 0.284 42.315 42.059 -0.046 0.000 1.180 362 L HN 0.033 nan 8.230 nan 0.000 0.487 363 I N -0.049 120.436 120.570 -0.142 0.000 2.353 363 I HA 0.191 4.360 4.170 -0.001 0.000 0.293 363 I C -0.094 175.969 176.117 -0.089 0.000 0.992 363 I CA 0.019 61.253 61.300 -0.110 0.000 1.268 363 I CB 1.830 39.741 38.000 -0.148 0.000 1.387 363 I HN -0.090 nan 8.210 nan 0.000 0.478 364 T N 4.500 119.024 114.554 -0.051 0.000 2.791 364 T HA 0.413 4.763 4.350 -0.001 0.000 0.288 364 T C -0.368 174.321 174.700 -0.019 0.000 0.999 364 T CA -0.642 61.438 62.100 -0.033 0.000 0.952 364 T CB 0.941 69.798 68.868 -0.018 0.000 0.938 364 T HN 0.702 nan 8.240 nan 0.000 0.444 365 S N 0.899 116.587 115.700 -0.019 0.000 2.547 365 S HA 0.474 4.944 4.470 -0.001 0.000 0.281 365 S C 0.140 174.743 174.600 0.004 0.000 1.118 365 S CA -0.745 57.447 58.200 -0.013 0.000 0.947 365 S CB 0.724 63.902 63.200 -0.036 0.000 1.053 365 S HN 0.899 nan 8.310 nan 0.000 0.482 366 C N 2.232 121.540 119.300 0.012 0.000 4.424 366 C HA -0.155 4.305 4.460 -0.001 0.000 0.304 366 C C 1.302 176.343 174.990 0.086 0.000 1.344 366 C CA 0.635 59.673 59.018 0.034 0.000 2.033 366 C CB -3.252 24.492 27.740 0.006 0.000 1.264 366 C HN 1.608 nan 8.230 nan 0.000 0.750 367 S N -1.104 114.640 115.700 0.073 0.000 3.402 367 S HA -0.202 4.268 4.470 -0.001 0.000 0.329 367 S C 0.324 174.984 174.600 0.099 0.000 1.194 367 S CA 1.323 59.572 58.200 0.082 0.000 0.951 367 S CB -0.696 62.569 63.200 0.109 0.000 0.975 367 S HN 1.116 nan 8.310 nan 0.000 0.574 368 S N 1.111 116.865 115.700 0.090 0.000 2.651 368 S HA 0.736 5.206 4.470 -0.001 0.000 0.279 368 S C -0.617 173.996 174.600 0.023 0.000 1.148 368 S CA -1.026 57.238 58.200 0.107 0.000 0.837 368 S CB 1.851 65.189 63.200 0.231 0.000 1.138 368 S HN 0.564 nan 8.310 nan 0.000 0.478 369 N N -0.710 117.987 118.700 -0.005 0.000 2.284 369 N HA 0.498 5.238 4.740 -0.001 0.000 0.289 369 N C -1.419 174.008 175.510 -0.139 0.000 1.179 369 N CA -0.607 52.393 53.050 -0.083 0.000 0.774 369 N CB 1.315 39.745 38.487 -0.093 0.000 1.548 369 N HN 0.351 nan 8.380 nan 0.000 0.473 370 V N 0.545 120.338 119.914 -0.201 0.000 2.686 370 V HA 0.393 4.513 4.120 -0.001 0.000 0.295 370 V C 0.563 176.490 176.094 -0.280 0.000 1.055 370 V CA 0.032 62.177 62.300 -0.257 0.000 1.050 370 V CB 0.938 32.585 31.823 -0.292 0.000 0.984 370 V HN 0.866 nan 8.190 nan 0.000 0.482 371 S N 2.683 118.139 115.700 -0.407 0.000 2.705 371 S HA 0.850 5.320 4.470 -0.001 0.000 0.280 371 S C -1.146 173.342 174.600 -0.188 0.000 1.174 371 S CA -0.485 57.512 58.200 -0.337 0.000 0.823 371 S CB 2.063 65.004 63.200 -0.432 0.000 1.162 371 S HN 0.445 nan 8.310 nan 0.000 0.487 372 V N 0.697 120.625 119.914 0.023 0.000 3.074 372 V HA 1.050 5.170 4.120 -0.001 0.000 0.314 372 V C 0.225 176.301 176.094 -0.030 0.000 1.117 372 V CA -0.087 62.204 62.300 -0.015 0.000 1.014 372 V CB 1.293 33.004 31.823 -0.188 0.000 1.057 372 V HN 1.276 nan 8.190 nan 0.000 0.438 373 A N 1.001 123.587 122.820 -0.389 0.000 2.506 373 A HA 0.906 5.226 4.320 -0.001 0.000 0.305 373 A C -1.771 175.300 177.584 -0.855 0.000 1.166 373 A CA -0.485 51.165 52.037 -0.646 0.000 0.638 373 A CB 1.574 19.878 19.000 -1.161 0.000 1.336 373 A HN 0.969 nan 8.150 nan 0.000 0.493 374 H N -0.186 118.483 119.070 -0.668 0.000 2.895 374 H HA 0.551 5.106 4.556 -0.001 0.000 0.373 374 H C -0.893 174.086 175.328 -0.582 0.000 1.174 374 H CA -0.112 55.570 56.048 -0.609 0.000 1.144 374 H CB 1.419 30.796 29.762 -0.642 0.000 1.793 374 H HN 0.852 nan 8.280 nan 0.000 0.551 375 D N 0.330 120.632 120.400 -0.164 0.000 2.511 375 D HA 0.410 5.049 4.640 -0.001 0.000 0.276 375 D C 1.383 177.790 176.300 0.178 0.000 1.220 375 D CA -0.241 53.748 54.000 -0.017 0.000 1.077 375 D CB 0.344 41.127 40.800 -0.029 0.000 1.126 375 D HN 0.525 nan 8.370 nan 0.000 0.583 376 A N 0.268 123.175 122.820 0.146 0.000 1.870 376 A HA -0.213 4.107 4.320 -0.001 0.000 0.219 376 A C 1.906 179.561 177.584 0.119 0.000 1.224 376 A CA 3.159 55.273 52.037 0.128 0.000 0.650 376 A CB -1.648 17.393 19.000 0.069 0.000 0.836 376 A HN 0.839 nan 8.150 nan 0.000 0.454 377 S N -0.447 115.302 115.700 0.081 0.000 2.942 377 S HA 0.372 4.842 4.470 -0.001 0.000 0.244 377 S C 1.168 175.817 174.600 0.081 0.000 1.011 377 S CA 0.893 59.130 58.200 0.062 0.000 1.102 377 S CB -1.228 61.994 63.200 0.038 0.000 0.812 377 S HN 2.098 nan 8.310 nan 0.000 0.486 378 G N 1.136 110.027 108.800 0.152 0.000 2.296 378 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.282 378 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.282 378 G C -0.073 174.904 174.900 0.128 0.000 1.014 378 G CA 0.697 45.893 45.100 0.159 0.000 0.812 378 G HN 0.795 nan 8.290 nan 0.000 0.508 379 K N -0.088 120.350 120.400 0.065 0.000 2.218 379 K HA 0.394 4.714 4.320 -0.001 0.000 0.276 379 K C 0.955 177.490 176.600 -0.109 0.000 1.022 379 K CA -0.946 55.344 56.287 0.005 0.000 0.946 379 K CB 0.416 32.902 32.500 -0.024 0.000 1.000 379 K HN 0.218 nan 8.250 nan 0.000 0.468 380 R N 3.210 123.596 120.500 -0.190 0.000 2.404 380 R HA 0.084 4.424 4.340 -0.001 0.000 0.315 380 R C -1.220 174.759 176.300 -0.536 0.000 1.032 380 R CA -0.136 55.660 56.100 -0.508 0.000 0.992 380 R CB 0.254 30.311 30.300 -0.404 0.000 0.959 380 R HN 0.307 nan 8.270 nan 0.000 0.428 381 V N 6.857 126.403 119.914 -0.613 0.000 2.409 381 V HA 0.258 4.378 4.120 -0.001 0.000 0.291 381 V C -0.761 175.115 176.094 -0.364 0.000 1.020 381 V CA -0.745 61.301 62.300 -0.422 0.000 0.848 381 V CB 1.283 32.928 31.823 -0.296 0.000 0.990 381 V HN 0.641 nan 8.190 nan 0.000 0.430 382 Y N 5.467 125.725 120.300 -0.070 0.000 2.299 382 Y HA 0.601 5.151 4.550 -0.000 0.000 0.326 382 Y C 0.090 176.032 175.900 0.071 0.000 1.164 382 Y CA -0.166 57.914 58.100 -0.034 0.000 1.234 382 Y CB 1.164 39.570 38.460 -0.091 0.000 1.219 382 Y HN 0.749 nan 8.280 nan 0.000 0.497 383 Y N -0.358 119.975 120.300 0.055 0.000 2.670 383 Y HA 0.738 5.287 4.550 -0.000 0.000 0.334 383 Y C -2.179 173.744 175.900 0.040 0.000 1.185 383 Y CA -2.106 55.998 58.100 0.007 0.000 1.053 383 Y CB 0.784 39.208 38.460 -0.059 0.000 1.298 383 Y HN 0.425 nan 8.280 nan 0.000 0.459 384 L N 1.861 123.092 121.223 0.014 0.000 2.322 384 L HA 0.793 5.133 4.340 -0.001 0.000 0.279 384 L C 0.098 177.097 176.870 0.214 0.000 1.036 384 L CA -0.427 54.412 54.840 -0.002 0.000 0.807 384 L CB 2.035 44.134 42.059 0.067 0.000 1.226 384 L HN 1.018 nan 8.230 nan 0.000 0.433 385 T N 1.957 116.631 114.554 0.202 0.000 2.671 385 T HA 0.763 5.113 4.350 -0.001 0.000 0.300 385 T C -1.596 173.220 174.700 0.193 0.000 1.238 385 T CA -0.634 61.682 62.100 0.361 0.000 1.020 385 T CB 1.654 70.707 68.868 0.307 0.000 1.503 385 T HN 0.813 nan 8.240 nan 0.000 0.497 386 R N 0.475 121.001 120.500 0.042 0.000 2.752 386 R HA 0.515 4.854 4.340 -0.001 0.000 0.277 386 R C -1.801 174.317 176.300 -0.302 0.000 1.024 386 R CA -0.962 55.065 56.100 -0.122 0.000 0.866 386 R CB 0.182 30.384 30.300 -0.164 0.000 1.278 386 R HN 0.521 nan 8.270 nan 0.000 0.473 387 D N 1.935 122.166 120.400 -0.281 0.000 2.417 387 D HA 0.085 4.725 4.640 -0.001 0.000 0.250 387 D C -1.316 174.638 176.300 -0.577 0.000 1.166 387 D CA -1.933 51.859 54.000 -0.346 0.000 0.881 387 D CB 1.271 41.945 40.800 -0.211 0.000 1.164 387 D HN 0.373 nan 8.370 nan 0.000 0.467 388 P HA -0.066 nan 4.420 nan 0.000 0.237 388 P C 1.150 178.125 177.300 -0.541 0.000 1.178 388 P CA 0.295 62.735 63.100 -1.100 0.000 0.766 388 P CB 0.283 31.203 31.700 -1.300 0.000 0.876 389 T N 1.083 115.430 114.554 -0.344 0.000 2.505 389 T HA -0.172 4.178 4.350 -0.001 0.000 0.259 389 T C 1.947 176.566 174.700 -0.135 0.000 1.158 389 T CA 2.356 64.345 62.100 -0.185 0.000 1.190 389 T CB -1.142 67.653 68.868 -0.122 0.000 0.864 389 T HN -0.108 nan 8.240 nan 0.000 0.413 390 V N 2.681 122.525 119.914 -0.117 0.000 2.252 390 V HA -0.170 3.949 4.120 -0.001 0.000 0.249 390 V C -0.411 175.633 176.094 -0.084 0.000 1.056 390 V CA 2.154 64.406 62.300 -0.080 0.000 1.022 390 V CB -1.744 30.052 31.823 -0.045 0.000 0.641 390 V HN 0.414 nan 8.190 nan 0.000 0.445 391 P HA -0.162 nan 4.420 nan 0.000 0.216 391 P C 1.871 179.209 177.300 0.065 0.000 1.150 391 P CA 1.542 64.636 63.100 -0.010 0.000 0.843 391 P CB -0.058 31.595 31.700 -0.079 0.000 0.787 392 L N -1.658 119.559 121.223 -0.011 0.000 2.131 392 L HA -0.051 4.288 4.340 -0.001 0.000 0.206 392 L C 2.449 179.366 176.870 0.079 0.000 1.087 392 L CA 1.234 56.100 54.840 0.044 0.000 0.767 392 L CB -1.055 40.990 42.059 -0.023 0.000 0.917 392 L HN -0.061 nan 8.230 nan 0.000 0.441 393 A N 0.233 123.081 122.820 0.048 0.000 1.930 393 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 393 A C 2.379 180.041 177.584 0.130 0.000 1.175 393 A CA 1.348 53.437 52.037 0.086 0.000 0.627 393 A CB -0.377 18.646 19.000 0.038 0.000 0.815 393 A HN 0.304 nan 8.150 nan 0.000 0.443 394 R N -0.729 119.816 120.500 0.074 0.000 2.090 394 R HA 0.047 4.387 4.340 -0.001 0.000 0.228 394 R C 2.428 178.888 176.300 0.267 0.000 1.110 394 R CA 0.970 57.128 56.100 0.097 0.000 0.973 394 R CB -0.364 29.929 30.300 -0.012 0.000 0.869 394 R HN 0.488 nan 8.270 nan 0.000 0.440 395 A N 1.160 124.157 122.820 0.294 0.000 1.972 395 A HA -0.088 4.231 4.320 -0.001 0.000 0.219 395 A C 2.244 180.081 177.584 0.423 0.000 1.169 395 A CA 1.651 53.973 52.037 0.475 0.000 0.635 395 A CB -0.422 18.866 19.000 0.480 0.000 0.810 395 A HN 0.391 nan 8.150 nan 0.000 0.446 396 A N -1.064 121.919 122.820 0.272 0.000 1.832 396 A HA -0.106 4.214 4.320 -0.001 0.000 0.214 396 A C 2.058 179.811 177.584 0.282 0.000 1.204 396 A CA 1.238 53.401 52.037 0.210 0.000 0.606 396 A CB -1.134 17.968 19.000 0.169 0.000 0.849 396 A HN 0.799 nan 8.150 nan 0.000 0.445 397 W N 1.503 122.873 121.300 0.116 0.000 2.292 397 W HA -0.236 4.424 4.660 -0.000 0.000 0.304 397 W C 1.394 177.990 176.519 0.128 0.000 1.228 397 W CA 2.311 59.716 57.345 0.100 0.000 1.241 397 W CB -0.347 29.147 29.460 0.057 0.000 1.142 397 W HN 0.582 nan 8.180 nan 0.000 0.520 398 E N -1.178 119.319 120.200 0.495 0.000 2.511 398 E HA -0.085 4.265 4.350 -0.001 0.000 0.196 398 E C 1.815 178.616 176.600 0.335 0.000 1.066 398 E CA 1.071 57.727 56.400 0.427 0.000 0.871 398 E CB -0.053 29.937 29.700 0.484 0.000 0.863 398 E HN 0.093 nan 8.360 nan 0.000 0.520 399 T N -0.165 114.556 114.554 0.277 0.000 3.044 399 T HA 0.116 4.466 4.350 -0.001 0.000 0.255 399 T C 1.555 176.309 174.700 0.090 0.000 1.073 399 T CA 0.724 62.944 62.100 0.200 0.000 1.125 399 T CB 0.348 69.350 68.868 0.224 0.000 0.908 399 T HN 0.160 nan 8.240 nan 0.000 0.480 400 A N 0.856 123.687 122.820 0.019 0.000 2.390 400 A HA 0.443 4.763 4.320 -0.001 0.000 0.232 400 A C 0.702 178.199 177.584 -0.145 0.000 1.233 400 A CA -0.155 51.834 52.037 -0.079 0.000 0.907 400 A CB 0.371 19.287 19.000 -0.141 0.000 0.967 400 A HN 0.219 nan 8.150 nan 0.000 0.512 401 R N -0.138 120.301 120.500 -0.101 0.000 2.561 401 R HA 0.203 4.542 4.340 -0.001 0.000 0.266 401 R C -1.341 175.027 176.300 0.115 0.000 1.091 401 R CA -0.670 55.391 56.100 -0.066 0.000 0.927 401 R CB 1.088 31.216 30.300 -0.286 0.000 1.240 401 R HN 0.546 nan 8.270 nan 0.000 0.449 402 H N 2.272 121.379 119.070 0.062 0.000 2.803 402 H HA 0.113 4.669 4.556 -0.001 0.000 0.330 402 H C -0.820 174.584 175.328 0.126 0.000 1.057 402 H CA 0.831 56.937 56.048 0.097 0.000 1.458 402 H CB 0.984 30.785 29.762 0.064 0.000 1.470 402 H HN 0.638 nan 8.280 nan 0.000 0.560 403 T N 3.037 117.298 114.554 -0.488 0.000 2.881 403 T HA 0.233 4.582 4.350 -0.001 0.000 0.291 403 T C -2.199 172.178 174.700 -0.538 0.000 0.990 403 T CA -1.841 60.056 62.100 -0.337 0.000 0.976 403 T CB 1.916 70.755 68.868 -0.048 0.000 0.970 403 T HN 0.367 nan 8.240 nan 0.000 0.438 404 P HA 0.038 nan 4.420 nan 0.000 0.218 404 P C -0.089 177.054 177.300 -0.262 0.000 1.148 404 P CA 0.508 63.429 63.100 -0.299 0.000 0.822 404 P CB 0.229 31.778 31.700 -0.252 0.000 0.784 405 V N 0.454 120.222 119.914 -0.244 0.000 2.380 405 V HA 0.192 4.311 4.120 -0.001 0.000 0.286 405 V C 0.127 176.127 176.094 -0.157 0.000 1.015 405 V CA -1.024 61.157 62.300 -0.197 0.000 0.834 405 V CB 1.082 32.793 31.823 -0.187 0.000 1.009 405 V HN 0.092 nan 8.190 nan 0.000 0.428 406 N N 3.266 121.857 118.700 -0.182 0.000 2.322 406 N HA 0.347 5.086 4.740 -0.001 0.000 0.270 406 N C 0.871 176.240 175.510 -0.236 0.000 1.286 406 N CA 0.112 53.052 53.050 -0.182 0.000 0.948 406 N CB 0.909 39.162 38.487 -0.390 0.000 1.164 406 N HN 0.489 nan 8.380 nan 0.000 0.551 407 S N -3.149 112.431 115.700 -0.200 0.000 2.691 407 S HA 0.023 4.493 4.470 -0.001 0.000 0.258 407 S C 1.494 176.027 174.600 -0.112 0.000 1.078 407 S CA -0.432 57.690 58.200 -0.130 0.000 1.000 407 S CB -0.787 62.401 63.200 -0.020 0.000 0.942 407 S HN 0.772 nan 8.310 nan 0.000 0.521 408 W N 2.435 123.669 121.300 -0.109 0.000 2.338 408 W HA -0.064 4.595 4.660 -0.001 0.000 0.304 408 W C 1.564 177.981 176.519 -0.170 0.000 1.212 408 W CA 0.868 58.101 57.345 -0.187 0.000 1.264 408 W CB -1.110 27.931 29.460 -0.697 0.000 1.142 408 W HN 0.401 nan 8.180 nan 0.000 0.512 409 L N 3.032 123.620 121.223 -1.058 0.000 2.093 409 L HA 0.151 4.490 4.340 -0.001 0.000 0.208 409 L C 2.504 179.179 176.870 -0.325 0.000 1.085 409 L CA 2.743 57.058 54.840 -0.874 0.000 0.755 409 L CB -1.355 39.831 42.059 -1.455 0.000 0.904 409 L HN 0.033 nan 8.230 nan 0.000 0.435 410 G N -0.565 108.049 108.800 -0.311 0.000 2.402 410 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.216 410 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.216 410 G C 1.452 176.355 174.900 0.004 0.000 1.162 410 G CA 0.666 45.674 45.100 -0.154 0.000 0.777 410 G HN 0.455 nan 8.290 nan 0.000 0.539 411 N N 0.633 119.393 118.700 0.101 0.000 2.223 411 N HA -0.028 4.712 4.740 -0.001 0.000 0.185 411 N C 2.234 177.881 175.510 0.229 0.000 1.016 411 N CA 0.666 53.898 53.050 0.302 0.000 0.863 411 N CB -0.137 38.587 38.487 0.395 0.000 0.983 411 N HN 0.344 nan 8.380 nan 0.000 0.429 412 I N 0.755 121.418 120.570 0.154 0.000 2.315 412 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 412 I C 1.990 178.177 176.117 0.116 0.000 1.117 412 I CA 0.832 62.209 61.300 0.129 0.000 1.404 412 I CB -0.086 38.055 38.000 0.236 0.000 1.071 412 I HN 0.047 nan 8.210 nan 0.000 0.419 413 I N -0.198 120.441 120.570 0.115 0.000 2.286 413 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 413 I C 2.464 178.686 176.117 0.176 0.000 1.104 413 I CA 1.017 62.412 61.300 0.158 0.000 1.397 413 I CB -0.144 37.933 38.000 0.127 0.000 1.072 413 I HN 0.203 nan 8.210 nan 0.000 0.417 414 M N -0.665 118.968 119.600 0.054 0.000 2.288 414 M HA -0.096 4.384 4.480 -0.001 0.000 0.266 414 M C 0.868 176.962 176.300 -0.343 0.000 1.072 414 M CA 1.705 56.920 55.300 -0.142 0.000 1.132 414 M CB -0.430 31.992 32.600 -0.296 0.000 1.386 414 M HN 0.209 nan 8.290 nan 0.000 0.432 415 Y N -1.047 119.255 120.300 0.004 0.000 2.713 415 Y HA 0.434 4.983 4.550 -0.001 0.000 0.269 415 Y C 1.703 177.348 175.900 -0.424 0.000 1.106 415 Y CA -0.275 57.704 58.100 -0.201 0.000 1.174 415 Y CB -0.537 37.756 38.460 -0.278 0.000 1.186 415 Y HN 0.134 nan 8.280 nan 0.000 0.555 416 A N 1.661 124.318 122.820 -0.271 0.000 1.958 416 A HA -0.177 4.143 4.320 -0.001 0.000 0.221 416 A C -0.280 177.040 177.584 -0.440 0.000 1.178 416 A CA 1.759 53.612 52.037 -0.305 0.000 0.642 416 A CB -1.392 17.523 19.000 -0.143 0.000 0.816 416 A HN 0.283 nan 8.150 nan 0.000 0.453 417 P HA 0.011 nan 4.420 nan 0.000 0.241 417 P C 0.524 177.547 177.300 -0.460 0.000 1.191 417 P CA 1.167 63.969 63.100 -0.496 0.000 0.771 417 P CB -0.685 30.707 31.700 -0.513 0.000 0.929 418 T N -2.509 111.808 114.554 -0.395 0.000 2.898 418 T HA 0.162 4.511 4.350 -0.001 0.000 0.301 418 T C 1.333 175.675 174.700 -0.596 0.000 1.049 418 T CA -0.656 61.223 62.100 -0.369 0.000 1.095 418 T CB 0.928 69.474 68.868 -0.537 0.000 0.976 418 T HN -0.137 nan 8.240 nan 0.000 0.539 419 L N 1.616 122.510 121.223 -0.548 0.000 2.046 419 L HA -0.025 4.315 4.340 -0.001 0.000 0.208 419 L C 2.603 179.189 176.870 -0.473 0.000 1.077 419 L CA 1.558 55.979 54.840 -0.697 0.000 0.747 419 L CB -0.341 41.291 42.059 -0.711 0.000 0.896 419 L HN 0.913 nan 8.230 nan 0.000 0.432 420 W N -0.568 120.536 121.300 -0.327 0.000 2.381 420 W HA -0.060 4.600 4.660 -0.000 0.000 0.301 420 W C 2.163 178.527 176.519 -0.258 0.000 1.205 420 W CA 0.751 57.919 57.345 -0.294 0.000 1.285 420 W CB -1.489 27.838 29.460 -0.220 0.000 1.133 420 W HN 0.206 nan 8.180 nan 0.000 0.521 421 A N 2.124 124.406 122.820 -0.896 0.000 1.858 421 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 421 A C 2.270 179.634 177.584 -0.367 0.000 1.190 421 A CA 2.307 53.941 52.037 -0.672 0.000 0.617 421 A CB -0.961 17.502 19.000 -0.894 0.000 0.827 421 A HN 0.305 nan 8.150 nan 0.000 0.443 422 R N -1.104 119.114 120.500 -0.471 0.000 2.073 422 R HA -0.044 4.296 4.340 -0.001 0.000 0.234 422 R C 2.280 178.326 176.300 -0.424 0.000 1.134 422 R CA 1.856 57.688 56.100 -0.447 0.000 0.952 422 R CB -0.372 29.536 30.300 -0.653 0.000 0.850 422 R HN 0.527 nan 8.270 nan 0.000 0.433 423 M N -0.395 118.852 119.600 -0.587 0.000 2.334 423 M HA 0.011 4.490 4.480 -0.001 0.000 0.266 423 M C 1.878 178.066 176.300 -0.186 0.000 1.082 423 M CA 1.292 56.342 55.300 -0.416 0.000 1.141 423 M CB 0.216 32.458 32.600 -0.596 0.000 1.380 423 M HN 0.126 nan 8.290 nan 0.000 0.440 424 I N -0.781 119.548 120.570 -0.402 0.000 3.325 424 I HA -0.095 4.075 4.170 -0.001 0.000 0.237 424 I C 2.062 178.018 176.117 -0.268 0.000 1.068 424 I CA 0.238 61.072 61.300 -0.776 0.000 1.511 424 I CB -0.436 37.007 38.000 -0.927 0.000 1.409 424 I HN 0.117 nan 8.210 nan 0.000 0.464 425 L N 0.636 121.855 121.223 -0.006 0.000 1.963 425 L HA -0.311 4.028 4.340 -0.001 0.000 0.220 425 L C 2.815 179.987 176.870 0.504 0.000 1.076 425 L CA 1.861 56.922 54.840 0.368 0.000 0.772 425 L CB -0.650 41.643 42.059 0.390 0.000 0.892 425 L HN 0.323 nan 8.230 nan 0.000 0.435 426 M N -0.952 118.855 119.600 0.345 0.000 2.088 426 M HA -0.242 4.238 4.480 -0.001 0.000 0.256 426 M C 2.319 178.988 176.300 0.614 0.000 1.071 426 M CA 2.398 57.948 55.300 0.418 0.000 1.097 426 M CB -0.992 31.645 32.600 0.062 0.000 1.315 426 M HN 0.375 nan 8.290 nan 0.000 0.406 427 T N -1.261 113.629 114.554 0.560 0.000 2.595 427 T HA -0.239 4.110 4.350 -0.001 0.000 0.264 427 T C 1.649 176.671 174.700 0.536 0.000 1.058 427 T CA 2.053 64.581 62.100 0.712 0.000 1.166 427 T CB -0.704 68.618 68.868 0.757 0.000 0.863 427 T HN 0.489 nan 8.240 nan 0.000 0.415 428 H N 0.490 119.751 119.070 0.318 0.000 2.321 428 H HA -0.103 4.453 4.556 -0.001 0.000 0.295 428 H C 1.811 177.030 175.328 -0.182 0.000 1.102 428 H CA 1.820 57.926 56.048 0.097 0.000 1.266 428 H CB -0.597 29.077 29.762 -0.146 0.000 1.363 428 H HN 0.424 nan 8.280 nan 0.000 0.492 429 F N -1.386 118.570 119.950 0.010 0.000 2.234 429 F HA -0.004 4.523 4.527 -0.001 0.000 0.296 429 F C 1.897 177.630 175.800 -0.111 0.000 1.089 429 F CA 0.434 58.251 58.000 -0.305 0.000 1.343 429 F CB -0.335 38.247 39.000 -0.696 0.000 1.040 429 F HN 0.125 nan 8.300 nan 0.000 0.498 430 F N -0.186 119.862 119.950 0.163 0.000 2.365 430 F HA -0.158 4.368 4.527 -0.001 0.000 0.300 430 F C 2.657 178.470 175.800 0.022 0.000 1.090 430 F CA 1.129 59.211 58.000 0.137 0.000 1.408 430 F CB -1.019 38.111 39.000 0.216 0.000 1.060 430 F HN -0.051 nan 8.300 nan 0.000 0.534 431 S N 0.699 116.487 115.700 0.145 0.000 2.344 431 S HA -0.193 4.277 4.470 -0.001 0.000 0.217 431 S C 2.206 176.769 174.600 -0.062 0.000 1.033 431 S CA 1.573 59.789 58.200 0.026 0.000 1.017 431 S CB -0.584 62.629 63.200 0.022 0.000 0.941 431 S HN 0.320 nan 8.310 nan 0.000 0.430 432 I N 1.523 121.982 120.570 -0.184 0.000 2.264 432 I HA -0.201 3.969 4.170 -0.001 0.000 0.248 432 I C 2.396 178.453 176.117 -0.100 0.000 1.111 432 I CA 1.130 62.319 61.300 -0.184 0.000 1.382 432 I CB -0.451 37.359 38.000 -0.317 0.000 1.060 432 I HN 0.366 nan 8.210 nan 0.000 0.418 433 L N 0.194 121.362 121.223 -0.092 0.000 1.955 433 L HA -0.276 4.064 4.340 -0.001 0.000 0.213 433 L C 2.621 179.471 176.870 -0.035 0.000 1.072 433 L CA 1.644 56.447 54.840 -0.062 0.000 0.755 433 L CB -0.756 41.229 42.059 -0.123 0.000 0.888 433 L HN 0.249 nan 8.230 nan 0.000 0.432 434 L N -0.053 121.159 121.223 -0.019 0.000 2.064 434 L HA -0.275 4.065 4.340 -0.001 0.000 0.216 434 L C 2.468 179.331 176.870 -0.011 0.000 1.077 434 L CA 1.403 56.242 54.840 -0.002 0.000 0.766 434 L CB -0.698 41.369 42.059 0.013 0.000 0.890 434 L HN 0.339 nan 8.230 nan 0.000 0.435 435 A N -1.270 121.536 122.820 -0.023 0.000 2.258 435 A HA -0.085 4.234 4.320 -0.001 0.000 0.206 435 A C 1.522 179.094 177.584 -0.020 0.000 1.222 435 A CA 0.897 52.920 52.037 -0.024 0.000 0.822 435 A CB -0.231 18.748 19.000 -0.035 0.000 0.804 435 A HN 0.658 nan 8.150 nan 0.000 0.483 436 Q N -1.095 118.696 119.800 -0.015 0.000 1.988 436 Q HA 0.076 4.416 4.340 -0.001 0.000 0.202 436 Q C -1.140 174.860 176.000 -0.001 0.000 0.760 436 Q CA -0.162 55.637 55.803 -0.007 0.000 0.940 436 Q CB 0.446 29.181 28.738 -0.005 0.000 1.214 436 Q HN 0.767 nan 8.270 nan 0.000 0.432 437 E N 1.433 121.632 120.200 -0.001 0.000 2.708 437 E HA -0.260 4.089 4.350 -0.001 0.000 0.150 437 E C -0.399 176.206 176.600 0.009 0.000 1.853 437 E CA 0.571 56.974 56.400 0.005 0.000 0.643 437 E CB -0.973 28.730 29.700 0.006 0.000 1.078 437 E HN 0.434 nan 8.360 nan 0.000 0.345 438 Q N 0.687 120.492 119.800 0.007 0.000 1.950 438 Q HA 0.140 4.479 4.340 -0.001 0.000 0.207 438 Q C 1.249 177.254 176.000 0.008 0.000 0.813 438 Q CA -0.195 55.619 55.803 0.017 0.000 0.989 438 Q CB 0.484 29.240 28.738 0.030 0.000 1.241 438 Q HN 0.455 nan 8.270 nan 0.000 0.418 439 L N 0.077 121.297 121.223 -0.005 0.000 2.265 439 L HA -0.173 4.167 4.340 -0.001 0.000 0.215 439 L C 1.175 178.056 176.870 0.019 0.000 1.117 439 L CA 1.330 56.158 54.840 -0.020 0.000 0.782 439 L CB -0.224 41.844 42.059 0.014 0.000 0.914 439 L HN 0.218 nan 8.230 nan 0.000 0.441 440 E N -0.114 120.105 120.200 0.032 0.000 2.276 440 E HA -0.009 4.340 4.350 -0.001 0.000 0.193 440 E C 0.778 177.407 176.600 0.048 0.000 0.983 440 E CA 0.100 56.526 56.400 0.043 0.000 0.861 440 E CB 0.031 29.754 29.700 0.038 0.000 0.817 440 E HN 0.217 nan 8.360 nan 0.000 0.485 441 K N 1.667 122.095 120.400 0.047 0.000 2.416 441 K HA 0.271 4.591 4.320 -0.001 0.000 0.283 441 K C -0.413 176.228 176.600 0.068 0.000 1.037 441 K CA -0.173 56.149 56.287 0.057 0.000 0.995 441 K CB 0.466 33.002 32.500 0.060 0.000 0.938 441 K HN 0.072 nan 8.250 nan 0.000 0.475 442 A N 4.572 127.434 122.820 0.069 0.000 2.340 442 A HA 0.488 4.808 4.320 -0.001 0.000 0.268 442 A C -0.917 176.708 177.584 0.068 0.000 1.100 442 A CA -0.571 51.509 52.037 0.071 0.000 0.803 442 A CB 0.276 19.323 19.000 0.079 0.000 1.043 442 A HN 0.640 nan 8.150 nan 0.000 0.488 443 L N 1.360 122.608 121.223 0.041 0.000 2.371 443 L HA 0.431 4.771 4.340 -0.001 0.000 0.262 443 L C -0.651 176.201 176.870 -0.029 0.000 1.006 443 L CA -0.577 54.272 54.840 0.014 0.000 0.818 443 L CB 2.052 44.110 42.059 -0.002 0.000 1.354 443 L HN 0.580 nan 8.230 nan 0.000 0.415 444 D N 0.752 121.134 120.400 -0.031 0.000 2.225 444 D HA 0.592 5.232 4.640 -0.001 0.000 0.249 444 D C -0.547 175.676 176.300 -0.128 0.000 1.052 444 D CA -0.071 53.909 54.000 -0.034 0.000 0.909 444 D CB 1.879 42.702 40.800 0.038 0.000 1.186 444 D HN 0.689 nan 8.370 nan 0.000 0.431 445 C N -0.177 119.046 119.300 -0.128 0.000 3.239 445 C HA 0.596 5.055 4.460 -0.001 0.000 0.317 445 C C -0.919 173.994 174.990 -0.128 0.000 1.310 445 C CA -0.870 58.037 59.018 -0.185 0.000 1.371 445 C CB 1.231 28.799 27.740 -0.288 0.000 1.714 445 C HN 0.549 nan 8.230 nan 0.000 0.473 446 Q N 0.719 120.445 119.800 -0.124 0.000 2.266 446 Q HA 0.795 5.134 4.340 -0.001 0.000 0.261 446 Q C -1.088 174.817 176.000 -0.158 0.000 0.985 446 Q CA -0.411 55.342 55.803 -0.084 0.000 0.873 446 Q CB 2.196 30.911 28.738 -0.039 0.000 1.306 446 Q HN 0.730 nan 8.270 nan 0.000 0.447 447 I N 2.220 122.679 120.570 -0.184 0.000 2.500 447 I HA 0.159 4.328 4.170 -0.001 0.000 0.286 447 I C -0.766 175.287 176.117 -0.107 0.000 1.063 447 I CA -0.486 60.595 61.300 -0.364 0.000 1.062 447 I CB 1.115 38.525 38.000 -0.983 0.000 1.223 447 I HN 0.834 nan 8.210 nan 0.000 0.435 448 Y N 5.006 125.266 120.300 -0.067 0.000 3.825 448 Y HA -0.334 4.216 4.550 -0.000 0.000 0.221 448 Y C 1.573 177.455 175.900 -0.030 0.000 1.195 448 Y CA 0.338 58.439 58.100 0.002 0.000 1.699 448 Y CB -1.101 37.351 38.460 -0.014 0.000 1.531 448 Y HN 1.020 nan 8.280 nan 0.000 0.640 449 G N -1.288 107.593 108.800 0.134 0.000 2.284 449 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.247 449 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.247 449 G C 0.252 175.168 174.900 0.027 0.000 1.012 449 G CA 0.036 45.179 45.100 0.071 0.000 0.618 449 G HN 1.366 nan 8.290 nan 0.000 0.521 450 A N -0.329 122.509 122.820 0.031 0.000 2.340 450 A HA 0.626 4.946 4.320 -0.001 0.000 0.268 450 A C 0.781 178.226 177.584 -0.232 0.000 1.100 450 A CA 0.548 52.443 52.037 -0.236 0.000 0.803 450 A CB 0.766 19.485 19.000 -0.469 0.000 1.043 450 A HN 1.561 nan 8.150 nan 0.000 0.488 451 C N 1.889 120.928 119.300 -0.436 0.000 2.401 451 C HA 0.807 5.267 4.460 -0.001 0.000 0.365 451 C C -1.159 173.397 174.990 -0.724 0.000 1.250 451 C CA -0.360 58.477 59.018 -0.302 0.000 2.131 451 C CB -0.802 26.919 27.740 -0.031 0.000 2.445 451 C HN 0.652 nan 8.230 nan 0.000 0.550 452 Y N 2.241 122.306 120.300 -0.392 0.000 2.504 452 Y HA 0.416 4.966 4.550 -0.001 0.000 0.344 452 Y C 0.144 175.913 175.900 -0.218 0.000 1.023 452 Y CA -0.495 57.364 58.100 -0.401 0.000 1.020 452 Y CB 1.758 39.973 38.460 -0.408 0.000 1.282 452 Y HN 0.579 nan 8.280 nan 0.000 0.454 453 S N 4.032 119.728 115.700 -0.006 0.000 2.410 453 S HA 0.736 5.206 4.470 -0.001 0.000 0.304 453 S C -0.833 173.835 174.600 0.113 0.000 1.095 453 S CA -0.285 57.964 58.200 0.082 0.000 1.089 453 S CB -0.534 62.751 63.200 0.143 0.000 0.968 453 S HN 0.522 nan 8.310 nan 0.000 0.480 454 I N 3.541 124.164 120.570 0.089 0.000 2.740 454 I HA 0.459 4.629 4.170 -0.001 0.000 0.303 454 I C -0.136 176.032 176.117 0.086 0.000 1.044 454 I CA -0.833 60.538 61.300 0.118 0.000 1.064 454 I CB 2.239 40.320 38.000 0.135 0.000 1.249 454 I HN 0.499 nan 8.210 nan 0.000 0.433 455 E N 5.231 125.493 120.200 0.102 0.000 2.133 455 E HA 0.241 4.591 4.350 -0.001 0.000 0.274 455 E C -1.901 174.766 176.600 0.113 0.000 0.930 455 E CA -1.608 54.847 56.400 0.091 0.000 0.770 455 E CB 1.792 31.542 29.700 0.083 0.000 1.104 455 E HN 0.298 nan 8.360 nan 0.000 0.403 456 P HA -0.246 nan 4.420 nan 0.000 0.217 456 P C 1.037 178.482 177.300 0.241 0.000 1.158 456 P CA 1.335 64.535 63.100 0.166 0.000 0.887 456 P CB 0.155 31.858 31.700 0.004 0.000 0.792 457 L N -1.325 120.003 121.223 0.175 0.000 2.456 457 L HA -0.217 4.122 4.340 -0.001 0.000 0.225 457 L C 1.044 178.001 176.870 0.145 0.000 1.142 457 L CA 1.410 56.356 54.840 0.177 0.000 0.796 457 L CB -0.996 41.130 42.059 0.112 0.000 0.920 457 L HN 0.039 nan 8.230 nan 0.000 0.446 458 D N -0.922 119.560 120.400 0.137 0.000 2.360 458 D HA 0.062 4.702 4.640 -0.001 0.000 0.210 458 D C 2.196 178.564 176.300 0.113 0.000 1.047 458 D CA 0.073 54.128 54.000 0.091 0.000 0.854 458 D CB 0.200 41.038 40.800 0.062 0.000 0.936 458 D HN 0.159 nan 8.370 nan 0.000 0.514 459 L N 1.023 122.364 121.223 0.197 0.000 1.997 459 L HA -0.180 4.160 4.340 -0.001 0.000 0.216 459 L C -0.453 176.547 176.870 0.217 0.000 1.074 459 L CA 1.696 56.675 54.840 0.232 0.000 0.763 459 L CB -1.573 40.689 42.059 0.337 0.000 0.890 459 L HN 0.066 nan 8.230 nan 0.000 0.434 460 P HA -0.224 nan 4.420 nan 0.000 0.217 460 P C 1.331 178.715 177.300 0.141 0.000 1.151 460 P CA 1.494 64.651 63.100 0.095 0.000 0.849 460 P CB 0.065 31.652 31.700 -0.188 0.000 0.787 461 Q N -1.291 118.532 119.800 0.038 0.000 2.061 461 Q HA 0.000 4.340 4.340 -0.001 0.000 0.195 461 Q C 2.235 178.238 176.000 0.005 0.000 0.967 461 Q CA 0.987 56.791 55.803 0.002 0.000 0.829 461 Q CB -0.899 27.808 28.738 -0.051 0.000 0.900 461 Q HN 0.192 nan 8.270 nan 0.000 0.450 462 I N 0.627 121.189 120.570 -0.014 0.000 2.087 462 I HA -0.360 3.809 4.170 -0.001 0.000 0.240 462 I C 2.146 178.247 176.117 -0.027 0.000 1.054 462 I CA 1.505 62.756 61.300 -0.081 0.000 1.311 462 I CB -0.460 37.537 38.000 -0.005 0.000 1.024 462 I HN 0.209 nan 8.210 nan 0.000 0.402 463 I N 0.437 121.066 120.570 0.098 0.000 2.118 463 I HA -0.348 3.821 4.170 -0.001 0.000 0.241 463 I C 2.706 178.812 176.117 -0.018 0.000 1.070 463 I CA 1.825 63.189 61.300 0.107 0.000 1.327 463 I CB -0.510 37.613 38.000 0.204 0.000 1.034 463 I HN 0.338 nan 8.210 nan 0.000 0.405 464 E N 0.966 121.211 120.200 0.075 0.000 2.160 464 E HA -0.249 4.100 4.350 -0.001 0.000 0.195 464 E C 2.379 178.952 176.600 -0.045 0.000 0.991 464 E CA 1.038 57.457 56.400 0.033 0.000 0.810 464 E CB 0.088 29.937 29.700 0.249 0.000 0.742 464 E HN 0.331 nan 8.360 nan 0.000 0.466 465 R N 0.028 120.482 120.500 -0.078 0.000 2.062 465 R HA -0.053 4.287 4.340 -0.001 0.000 0.229 465 R C 2.541 178.710 176.300 -0.218 0.000 1.128 465 R CA 0.973 56.992 56.100 -0.135 0.000 0.960 465 R CB -0.311 29.888 30.300 -0.168 0.000 0.855 465 R HN 0.325 nan 8.270 nan 0.000 0.432 466 L N -0.627 120.402 121.223 -0.322 0.000 2.179 466 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 466 L C 1.789 178.255 176.870 -0.674 0.000 1.096 466 L CA 1.011 55.505 54.840 -0.576 0.000 0.779 466 L CB -0.297 41.315 42.059 -0.745 0.000 0.922 466 L HN 0.263 nan 8.230 nan 0.000 0.443 467 H N -0.926 118.041 119.070 -0.171 0.000 3.058 467 H HA 0.360 4.916 4.556 -0.001 0.000 0.258 467 H C 0.907 176.137 175.328 -0.162 0.000 1.015 467 H CA 0.752 56.697 56.048 -0.171 0.000 1.210 467 H CB 1.087 30.727 29.762 -0.204 0.000 1.481 467 H HN 0.252 nan 8.280 nan 0.000 0.492 468 G N 0.946 109.703 108.800 -0.073 0.000 2.663 468 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.686 468 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.686 468 G C 0.489 175.335 174.900 -0.089 0.000 1.246 468 G CA -0.129 44.936 45.100 -0.058 0.000 0.795 468 G HN 0.252 nan 8.290 nan 0.000 0.627 469 L N 1.086 122.314 121.223 0.008 0.000 2.079 469 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 469 L C 3.239 180.130 176.870 0.035 0.000 1.081 469 L CA 2.853 57.763 54.840 0.117 0.000 0.752 469 L CB -0.419 41.760 42.059 0.200 0.000 0.896 469 L HN 1.106 nan 8.230 nan 0.000 0.433 470 S N -0.075 115.613 115.700 -0.022 0.000 2.392 470 S HA -0.279 4.191 4.470 -0.001 0.000 0.232 470 S C 2.071 176.594 174.600 -0.127 0.000 1.041 470 S CA 1.045 59.218 58.200 -0.045 0.000 1.026 470 S CB -0.799 62.360 63.200 -0.069 0.000 0.845 470 S HN 0.489 nan 8.310 nan 0.000 0.465 471 A N 0.668 123.324 122.820 -0.273 0.000 2.148 471 A HA 0.021 4.341 4.320 -0.001 0.000 0.222 471 A C 1.741 179.115 177.584 -0.349 0.000 1.161 471 A CA 1.370 53.172 52.037 -0.391 0.000 0.662 471 A CB -1.061 17.637 19.000 -0.504 0.000 0.799 471 A HN 0.693 nan 8.150 nan 0.000 0.466 472 F N -1.165 118.805 119.950 0.034 0.000 2.754 472 F HA 0.077 4.604 4.527 -0.000 0.000 0.297 472 F C 1.699 177.543 175.800 0.072 0.000 1.122 472 F CA 0.658 58.698 58.000 0.066 0.000 1.400 472 F CB 0.458 39.520 39.000 0.103 0.000 1.117 472 F HN 0.088 nan 8.300 nan 0.000 0.587 473 S N 0.135 115.947 115.700 0.187 0.000 2.730 473 S HA 0.296 4.765 4.470 -0.001 0.000 0.244 473 S C 0.385 175.078 174.600 0.155 0.000 1.022 473 S CA -0.345 57.958 58.200 0.173 0.000 1.014 473 S CB 0.039 63.326 63.200 0.145 0.000 0.963 473 S HN 0.026 nan 8.310 nan 0.000 0.540 474 L N 3.451 124.692 121.223 0.029 0.000 2.514 474 L HA 0.225 4.564 4.340 -0.001 0.000 0.280 474 L C 0.517 177.405 176.870 0.029 0.000 1.223 474 L CA 0.439 55.197 54.840 -0.136 0.000 0.864 474 L CB -0.067 41.774 42.059 -0.363 0.000 1.118 474 L HN 0.533 nan 8.230 nan 0.000 0.494 475 H N -1.349 117.642 119.070 -0.132 0.000 2.948 475 H HA 0.405 4.960 4.556 -0.000 0.000 0.315 475 H C -0.363 174.955 175.328 -0.017 0.000 1.360 475 H CA -0.897 55.177 56.048 0.043 0.000 1.125 475 H CB 1.162 30.973 29.762 0.080 0.000 1.844 475 H HN 0.382 nan 8.280 nan 0.000 0.529 476 S N -0.368 115.458 115.700 0.210 0.000 3.791 476 S HA -0.211 4.259 4.470 -0.001 0.000 0.393 476 S C -0.853 173.808 174.600 0.102 0.000 0.936 476 S CA 0.296 58.579 58.200 0.139 0.000 1.234 476 S CB -2.309 60.883 63.200 -0.015 0.000 0.891 476 S HN 0.537 nan 8.310 nan 0.000 0.519 477 Y N 1.925 122.258 120.300 0.055 0.000 2.336 477 Y HA 0.342 4.892 4.550 -0.001 0.000 0.331 477 Y C 1.317 177.266 175.900 0.081 0.000 1.211 477 Y CA -0.047 58.088 58.100 0.058 0.000 1.346 477 Y CB 0.511 38.988 38.460 0.029 0.000 1.271 477 Y HN 0.514 nan 8.280 nan 0.000 0.538 478 S N 3.023 118.859 115.700 0.227 0.000 2.537 478 S HA 0.062 4.532 4.470 -0.001 0.000 0.286 478 S C -1.977 172.708 174.600 0.141 0.000 1.299 478 S CA -1.066 57.224 58.200 0.150 0.000 1.067 478 S CB 1.018 64.285 63.200 0.111 0.000 0.864 478 S HN 0.476 nan 8.310 nan 0.000 0.494 479 P HA -0.106 nan 4.420 nan 0.000 0.216 479 P C 1.777 179.114 177.300 0.062 0.000 1.157 479 P CA 1.885 65.030 63.100 0.075 0.000 0.880 479 P CB -0.420 31.314 31.700 0.058 0.000 0.791 480 G N -0.451 108.382 108.800 0.054 0.000 2.440 480 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 480 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 480 G C 1.665 176.589 174.900 0.041 0.000 1.154 480 G CA 0.985 46.108 45.100 0.037 0.000 0.767 480 G HN 0.266 nan 8.290 nan 0.000 0.552 481 E N 0.796 121.041 120.200 0.075 0.000 2.047 481 E HA -0.029 4.321 4.350 -0.001 0.000 0.191 481 E C 2.485 179.131 176.600 0.077 0.000 0.987 481 E CA 0.715 57.173 56.400 0.098 0.000 0.799 481 E CB -0.433 29.386 29.700 0.198 0.000 0.752 481 E HN 0.490 nan 8.360 nan 0.000 0.449 482 I N 0.799 121.418 120.570 0.081 0.000 2.286 482 I HA -0.252 3.918 4.170 -0.001 0.000 0.248 482 I C 2.226 178.355 176.117 0.020 0.000 1.115 482 I CA 1.370 62.692 61.300 0.037 0.000 1.392 482 I CB -0.465 37.564 38.000 0.049 0.000 1.065 482 I HN 0.206 nan 8.210 nan 0.000 0.418 483 N N 1.363 120.078 118.700 0.024 0.000 2.106 483 N HA -0.213 4.527 4.740 -0.001 0.000 0.188 483 N C 2.003 177.509 175.510 -0.007 0.000 1.029 483 N CA 1.317 54.374 53.050 0.010 0.000 0.848 483 N CB -0.158 38.336 38.487 0.013 0.000 1.007 483 N HN 0.106 nan 8.380 nan 0.000 0.423 484 R N -0.012 120.481 120.500 -0.012 0.000 2.096 484 R HA -0.127 4.213 4.340 -0.001 0.000 0.240 484 R C 1.788 178.049 176.300 -0.065 0.000 1.139 484 R CA 1.727 57.803 56.100 -0.040 0.000 0.952 484 R CB -0.499 29.773 30.300 -0.046 0.000 0.854 484 R HN 0.121 nan 8.270 nan 0.000 0.436 485 V N 0.928 120.808 119.914 -0.055 0.000 2.214 485 V HA -0.264 3.856 4.120 -0.001 0.000 0.245 485 V C 2.470 178.534 176.094 -0.050 0.000 1.047 485 V CA 2.095 64.350 62.300 -0.074 0.000 0.998 485 V CB -0.990 30.813 31.823 -0.033 0.000 0.633 485 V HN 0.616 nan 8.190 nan 0.000 0.446 486 A N -0.278 122.530 122.820 -0.021 0.000 2.032 486 A HA -0.251 4.068 4.320 -0.001 0.000 0.221 486 A C 2.407 179.985 177.584 -0.009 0.000 1.165 486 A CA 2.425 54.462 52.037 -0.001 0.000 0.645 486 A CB -0.689 18.317 19.000 0.010 0.000 0.807 486 A HN 0.571 nan 8.150 nan 0.000 0.453 487 S N -1.359 114.325 115.700 -0.025 0.000 2.368 487 S HA -0.185 4.284 4.470 -0.001 0.000 0.224 487 S C 2.035 176.606 174.600 -0.049 0.000 1.029 487 S CA 1.072 59.253 58.200 -0.032 0.000 0.988 487 S CB -0.929 62.249 63.200 -0.037 0.000 0.838 487 S HN 0.809 nan 8.310 nan 0.000 0.462 488 C N 2.443 121.703 119.300 -0.067 0.000 2.432 488 C HA 0.009 4.469 4.460 -0.001 0.000 0.277 488 C C 2.481 177.435 174.990 -0.060 0.000 1.249 488 C CA 0.563 59.529 59.018 -0.086 0.000 1.725 488 C CB -1.656 26.003 27.740 -0.135 0.000 2.028 488 C HN 0.570 nan 8.230 nan 0.000 0.477 489 L N 0.527 121.733 121.223 -0.029 0.000 2.012 489 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 489 L C 2.956 179.840 176.870 0.024 0.000 1.073 489 L CA 1.962 56.817 54.840 0.025 0.000 0.748 489 L CB -0.988 41.115 42.059 0.073 0.000 0.891 489 L HN 0.365 nan 8.230 nan 0.000 0.431 490 R N 0.254 120.757 120.500 0.005 0.000 2.193 490 R HA -0.169 4.171 4.340 -0.001 0.000 0.229 490 R C 2.277 178.524 176.300 -0.088 0.000 1.110 490 R CA 1.041 57.140 56.100 -0.003 0.000 0.988 490 R CB -0.225 30.075 30.300 -0.001 0.000 0.871 490 R HN 0.383 nan 8.270 nan 0.000 0.458 491 K N 1.033 121.359 120.400 -0.123 0.000 2.167 491 K HA -0.036 4.284 4.320 -0.001 0.000 0.203 491 K C 1.688 178.057 176.600 -0.384 0.000 1.052 491 K CA 0.840 56.998 56.287 -0.215 0.000 0.956 491 K CB 0.243 32.664 32.500 -0.132 0.000 0.735 491 K HN 0.131 nan 8.250 nan 0.000 0.451 492 L N -1.131 119.963 121.223 -0.214 0.000 2.408 492 L HA 0.258 4.597 4.340 -0.001 0.000 0.215 492 L C 0.890 177.913 176.870 0.254 0.000 1.081 492 L CA 0.446 55.230 54.840 -0.093 0.000 0.840 492 L CB 0.637 42.705 42.059 0.016 0.000 1.002 492 L HN 0.479 nan 8.230 nan 0.000 0.468 493 G N 0.786 109.745 108.800 0.265 0.000 2.181 493 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.152 493 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.152 493 G C -0.292 174.737 174.900 0.214 0.000 1.026 493 G CA -0.416 44.927 45.100 0.404 0.000 0.699 493 G HN 0.006 nan 8.290 nan 0.000 0.497 494 V N 1.080 121.108 119.914 0.190 0.000 2.370 494 V HA 0.440 4.560 4.120 -0.001 0.000 0.279 494 V C -1.479 174.773 176.094 0.264 0.000 1.029 494 V CA -1.795 60.655 62.300 0.251 0.000 0.870 494 V CB 1.577 33.559 31.823 0.265 0.000 0.984 494 V HN 0.156 nan 8.190 nan 0.000 0.451 495 P HA 0.009 nan 4.420 nan 0.000 0.263 495 P C -2.320 175.102 177.300 0.203 0.000 1.168 495 P CA -0.386 62.725 63.100 0.018 0.000 0.759 495 P CB -0.177 31.289 31.700 -0.390 0.000 0.782 496 P HA -0.034 nan 4.420 nan 0.000 0.269 496 P C 1.021 178.465 177.300 0.240 0.000 1.217 496 P CA 0.157 63.347 63.100 0.149 0.000 0.783 496 P CB 0.679 32.417 31.700 0.062 0.000 0.898 497 L N 0.735 122.086 121.223 0.214 0.000 2.211 497 L HA -0.267 4.073 4.340 -0.001 0.000 0.216 497 L C 2.897 179.872 176.870 0.175 0.000 1.092 497 L CA 2.142 57.113 54.840 0.217 0.000 0.767 497 L CB -0.991 41.109 42.059 0.069 0.000 0.894 497 L HN 0.516 nan 8.230 nan 0.000 0.437 498 R N 0.015 120.539 120.500 0.041 0.000 2.062 498 R HA -0.091 4.249 4.340 -0.001 0.000 0.231 498 R C 2.036 178.022 176.300 -0.525 0.000 1.136 498 R CA 1.472 57.500 56.100 -0.120 0.000 0.948 498 R CB -1.179 29.072 30.300 -0.081 0.000 0.845 498 R HN 0.093 nan 8.270 nan 0.000 0.430 499 V N 0.391 120.024 119.914 -0.469 0.000 2.453 499 V HA -0.220 3.900 4.120 -0.001 0.000 0.252 499 V C 1.807 177.636 176.094 -0.441 0.000 1.068 499 V CA 1.904 63.843 62.300 -0.603 0.000 1.070 499 V CB -0.750 30.815 31.823 -0.431 0.000 0.664 499 V HN 0.420 nan 8.190 nan 0.000 0.461 500 W N -0.242 121.016 121.300 -0.070 0.000 2.494 500 W HA 0.061 4.721 4.660 -0.001 0.000 0.286 500 W C 2.656 179.314 176.519 0.232 0.000 1.218 500 W CA 0.710 58.121 57.345 0.109 0.000 1.313 500 W CB -0.243 29.299 29.460 0.137 0.000 1.105 500 W HN -0.007 nan 8.180 nan 0.000 0.561 501 R N -0.073 120.667 120.500 0.399 0.000 2.193 501 R HA -0.151 4.188 4.340 -0.001 0.000 0.229 501 R C 1.523 178.022 176.300 0.333 0.000 1.110 501 R CA 1.656 58.031 56.100 0.459 0.000 0.988 501 R CB -0.418 30.108 30.300 0.377 0.000 0.871 501 R HN 0.384 nan 8.270 nan 0.000 0.458 502 H N -0.490 118.677 119.070 0.162 0.000 2.265 502 H HA 0.001 4.557 4.556 -0.000 0.000 0.305 502 H C 2.247 177.609 175.328 0.057 0.000 1.054 502 H CA 1.123 57.211 56.048 0.066 0.000 1.296 502 H CB -0.025 29.746 29.762 0.015 0.000 1.395 502 H HN 0.128 nan 8.280 nan 0.000 0.502 503 R N 0.925 121.554 120.500 0.216 0.000 2.134 503 R HA -0.218 4.121 4.340 -0.001 0.000 0.248 503 R C 2.602 178.989 176.300 0.146 0.000 1.143 503 R CA 1.118 57.305 56.100 0.145 0.000 0.957 503 R CB -0.587 29.797 30.300 0.141 0.000 0.867 503 R HN 0.315 nan 8.270 nan 0.000 0.441 504 A N 1.485 124.457 122.820 0.254 0.000 1.927 504 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 504 A C 2.174 179.697 177.584 -0.102 0.000 1.185 504 A CA 1.673 53.819 52.037 0.182 0.000 0.639 504 A CB -0.450 18.672 19.000 0.204 0.000 0.820 504 A HN 0.298 nan 8.150 nan 0.000 0.451 505 R N -1.123 119.339 120.500 -0.063 0.000 2.062 505 R HA -0.054 4.286 4.340 -0.001 0.000 0.229 505 R C 2.601 178.836 176.300 -0.108 0.000 1.128 505 R CA 1.303 57.338 56.100 -0.108 0.000 0.960 505 R CB -0.614 29.652 30.300 -0.057 0.000 0.855 505 R HN 0.545 nan 8.270 nan 0.000 0.432 506 S N 0.393 116.058 115.700 -0.057 0.000 2.440 506 S HA -0.094 4.375 4.470 -0.001 0.000 0.240 506 S C 1.758 176.308 174.600 -0.083 0.000 1.014 506 S CA 1.072 59.240 58.200 -0.054 0.000 0.980 506 S CB 0.035 63.223 63.200 -0.019 0.000 0.775 506 S HN 0.118 nan 8.310 nan 0.000 0.499 507 V N 0.987 120.819 119.914 -0.137 0.000 2.690 507 V HA 0.191 4.311 4.120 -0.001 0.000 0.240 507 V C 2.388 178.286 176.094 -0.326 0.000 1.078 507 V CA 1.104 63.285 62.300 -0.198 0.000 1.102 507 V CB -0.537 31.163 31.823 -0.204 0.000 0.800 507 V HN 0.454 nan 8.190 nan 0.000 0.479 508 R N 0.969 121.178 120.500 -0.485 0.000 2.241 508 R HA -0.103 4.237 4.340 -0.001 0.000 0.224 508 R C 1.975 178.141 176.300 -0.224 0.000 1.101 508 R CA 1.471 57.288 56.100 -0.471 0.000 0.995 508 R CB -0.225 29.818 30.300 -0.428 0.000 0.870 508 R HN 0.479 nan 8.270 nan 0.000 0.463 509 A N 1.579 124.297 122.820 -0.169 0.000 1.840 509 A HA -0.100 4.220 4.320 -0.001 0.000 0.214 509 A C 1.852 179.389 177.584 -0.079 0.000 1.198 509 A CA 1.356 53.331 52.037 -0.103 0.000 0.608 509 A CB -0.292 18.658 19.000 -0.083 0.000 0.839 509 A HN 0.360 nan 8.150 nan 0.000 0.443 510 K N -0.075 120.280 120.400 -0.075 0.000 2.211 510 K HA -0.055 4.265 4.320 -0.001 0.000 0.204 510 K C 1.724 178.303 176.600 -0.035 0.000 1.047 510 K CA 1.199 57.458 56.287 -0.047 0.000 0.935 510 K CB -0.404 32.072 32.500 -0.041 0.000 0.728 510 K HN 0.448 nan 8.250 nan 0.000 0.452 511 L N 0.476 121.666 121.223 -0.056 0.000 2.109 511 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 511 L C 2.204 179.068 176.870 -0.009 0.000 1.086 511 L CA 0.830 55.657 54.840 -0.020 0.000 0.760 511 L CB -0.271 41.758 42.059 -0.051 0.000 0.910 511 L HN 0.131 nan 8.230 nan 0.000 0.437 512 L N -0.569 120.635 121.223 -0.032 0.000 2.072 512 L HA -0.087 4.252 4.340 -0.001 0.000 0.205 512 L C 1.979 178.843 176.870 -0.010 0.000 1.079 512 L CA 0.860 55.690 54.840 -0.018 0.000 0.752 512 L CB -0.429 41.611 42.059 -0.032 0.000 0.906 512 L HN 0.264 nan 8.230 nan 0.000 0.436 513 S N -0.462 115.227 115.700 -0.018 0.000 3.593 513 S HA -0.034 4.436 4.470 -0.001 0.000 0.224 513 S C 0.729 175.327 174.600 -0.004 0.000 1.333 513 S CA 0.092 58.285 58.200 -0.012 0.000 1.164 513 S CB -0.013 63.176 63.200 -0.018 0.000 1.281 513 S HN 0.553 nan 8.310 nan 0.000 0.457 514 Q N -0.045 119.757 119.800 0.004 0.000 1.719 514 Q HA 0.255 4.595 4.340 -0.001 0.000 0.171 514 Q C 0.916 176.927 176.000 0.018 0.000 0.727 514 Q CA 0.369 56.179 55.803 0.012 0.000 0.786 514 Q CB -0.107 28.643 28.738 0.019 0.000 1.209 514 Q HN 0.722 nan 8.270 nan 0.000 0.383 515 G N 0.499 109.309 108.800 0.016 0.000 2.531 515 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.477 515 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.477 515 G C 0.838 175.754 174.900 0.027 0.000 1.342 515 G CA 0.870 45.982 45.100 0.020 0.000 0.911 515 G HN 1.329 nan 8.290 nan 0.000 0.532 516 G N -1.569 107.245 108.800 0.024 0.000 2.720 516 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.293 516 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.293 516 G C 1.136 176.054 174.900 0.029 0.000 1.256 516 G CA 1.573 46.689 45.100 0.025 0.000 0.974 516 G HN 1.436 nan 8.290 nan 0.000 0.551 517 R N 0.394 120.919 120.500 0.041 0.000 2.225 517 R HA 0.554 4.893 4.340 -0.001 0.000 0.194 517 R C 2.924 179.271 176.300 0.078 0.000 0.949 517 R CA 0.962 57.091 56.100 0.048 0.000 1.088 517 R CB -0.229 30.103 30.300 0.053 0.000 1.106 517 R HN 0.674 nan 8.270 nan 0.000 0.566 518 A N 1.658 124.532 122.820 0.090 0.000 2.076 518 A HA -0.085 4.235 4.320 -0.001 0.000 0.220 518 A C 2.201 179.845 177.584 0.101 0.000 1.160 518 A CA 1.791 53.904 52.037 0.126 0.000 0.653 518 A CB -0.397 18.664 19.000 0.102 0.000 0.801 518 A HN 0.382 nan 8.150 nan 0.000 0.455 519 A N 0.232 123.092 122.820 0.067 0.000 1.878 519 A HA 0.083 4.403 4.320 -0.001 0.000 0.213 519 A C 1.974 179.599 177.584 0.068 0.000 1.192 519 A CA 1.061 53.129 52.037 0.052 0.000 0.619 519 A CB -0.556 18.466 19.000 0.036 0.000 0.837 519 A HN 0.491 nan 8.150 nan 0.000 0.446 520 I N -0.213 120.392 120.570 0.058 0.000 2.315 520 I HA -0.348 3.822 4.170 -0.001 0.000 0.251 520 I C 2.385 178.540 176.117 0.064 0.000 1.125 520 I CA 0.981 62.308 61.300 0.045 0.000 1.392 520 I CB -0.885 37.086 38.000 -0.048 0.000 1.065 520 I HN 0.350 nan 8.210 nan 0.000 0.424 521 C N 1.163 120.510 119.300 0.078 0.000 2.675 521 C HA 0.026 4.486 4.460 -0.001 0.000 0.285 521 C C 3.099 178.168 174.990 0.131 0.000 1.282 521 C CA 0.948 60.026 59.018 0.099 0.000 1.708 521 C CB -1.668 26.186 27.740 0.189 0.000 2.134 521 C HN 0.625 nan 8.230 nan 0.000 0.494 522 G N 0.509 109.377 108.800 0.114 0.000 2.581 522 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.223 522 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.223 522 G C 1.596 176.559 174.900 0.106 0.000 1.094 522 G CA 1.662 46.808 45.100 0.078 0.000 0.736 522 G HN 0.714 nan 8.290 nan 0.000 0.588 523 K N -1.156 119.298 120.400 0.089 0.000 2.078 523 K HA 0.041 4.360 4.320 -0.001 0.000 0.203 523 K C 2.115 178.690 176.600 -0.042 0.000 1.043 523 K CA 0.438 56.742 56.287 0.027 0.000 0.960 523 K CB -0.207 32.326 32.500 0.055 0.000 0.761 523 K HN 0.289 nan 8.250 nan 0.000 0.448 524 Y N 1.257 121.438 120.300 -0.198 0.000 2.286 524 Y HA 0.014 4.564 4.550 -0.001 0.000 0.293 524 Y C 1.930 177.620 175.900 -0.349 0.000 1.124 524 Y CA 0.902 58.724 58.100 -0.462 0.000 1.178 524 Y CB 0.106 38.029 38.460 -0.894 0.000 1.010 524 Y HN 0.007 nan 8.280 nan 0.000 0.536 525 L N -2.224 118.999 121.223 0.000 0.000 2.446 525 L HA -0.017 4.323 4.340 -0.001 0.000 0.219 525 L C 0.415 177.102 176.870 -0.305 0.000 1.116 525 L CA 0.748 55.565 54.840 -0.038 0.000 0.844 525 L CB -0.104 41.862 42.059 -0.155 0.000 0.970 525 L HN 0.143 nan 8.230 nan 0.000 0.457 526 F N -1.918 117.964 119.950 -0.112 0.000 2.775 526 F HA 0.187 4.713 4.527 -0.001 0.000 0.313 526 F C 1.562 177.036 175.800 -0.543 0.000 1.121 526 F CA -0.421 57.282 58.000 -0.496 0.000 1.206 526 F CB -0.333 38.406 39.000 -0.435 0.000 1.052 526 F HN -0.096 nan 8.300 nan 0.000 0.524 527 N N 1.084 119.711 118.700 -0.122 0.000 2.348 527 N HA -0.203 4.536 4.740 -0.001 0.000 0.185 527 N C 1.934 177.418 175.510 -0.043 0.000 1.019 527 N CA 1.762 54.761 53.050 -0.085 0.000 0.880 527 N CB -0.160 38.293 38.487 -0.056 0.000 0.965 527 N HN 0.552 nan 8.380 nan 0.000 0.437 528 W N -1.046 120.283 121.300 0.047 0.000 2.584 528 W HA 0.272 4.931 4.660 -0.000 0.000 0.264 528 W C 0.643 177.206 176.519 0.072 0.000 1.264 528 W CA 0.389 57.765 57.345 0.051 0.000 1.306 528 W CB -0.525 28.954 29.460 0.032 0.000 1.110 528 W HN 0.046 nan 8.180 nan 0.000 0.606 529 A N 1.892 124.287 122.820 -0.708 0.000 2.476 529 A HA 0.409 4.729 4.320 -0.001 0.000 0.263 529 A C 0.043 177.504 177.584 -0.205 0.000 1.342 529 A CA 0.442 52.121 52.037 -0.596 0.000 0.926 529 A CB -1.023 17.277 19.000 -1.167 0.000 1.019 529 A HN 0.273 nan 8.150 nan 0.000 0.515 530 V N -4.397 115.460 119.914 -0.094 0.000 2.655 530 V HA 0.448 4.568 4.120 -0.001 0.000 0.301 530 V C 0.654 176.742 176.094 -0.010 0.000 1.082 530 V CA -0.893 61.375 62.300 -0.052 0.000 0.899 530 V CB 1.124 32.899 31.823 -0.080 0.000 1.014 530 V HN 0.336 nan 8.190 nan 0.000 0.429 531 R N 1.653 122.154 120.500 0.003 0.000 2.096 531 R HA -0.047 4.293 4.340 -0.001 0.000 0.240 531 R C 0.866 177.160 176.300 -0.009 0.000 1.139 531 R CA 1.921 58.025 56.100 0.006 0.000 0.952 531 R CB -0.225 30.079 30.300 0.006 0.000 0.854 531 R HN 0.869 nan 8.270 nan 0.000 0.436 532 T N 2.319 116.862 114.554 -0.018 0.000 2.751 532 T HA 0.104 4.454 4.350 -0.001 0.000 0.290 532 T C -0.232 174.449 174.700 -0.032 0.000 0.919 532 T CA 0.379 62.464 62.100 -0.025 0.000 1.136 532 T CB 0.483 69.334 68.868 -0.028 0.000 0.875 532 T HN 0.080 nan 8.240 nan 0.000 0.532 533 K N 4.353 124.734 120.400 -0.031 0.000 2.449 533 K HA 0.375 4.695 4.320 -0.001 0.000 0.257 533 K C 0.062 176.634 176.600 -0.046 0.000 0.989 533 K CA -0.641 55.624 56.287 -0.037 0.000 0.916 533 K CB 1.229 33.714 32.500 -0.026 0.000 1.136 533 K HN 0.562 nan 8.250 nan 0.000 0.439 534 L N 0.194 121.380 121.223 -0.062 0.000 2.397 534 L HA 0.376 4.716 4.340 -0.001 0.000 0.271 534 L C -0.115 176.700 176.870 -0.093 0.000 1.148 534 L CA -0.862 53.936 54.840 -0.069 0.000 0.825 534 L CB 0.124 42.139 42.059 -0.074 0.000 1.117 534 L HN 0.285 nan 8.230 nan 0.000 0.456 535 K N 3.943 124.298 120.400 -0.074 0.000 2.451 535 K HA 0.338 4.658 4.320 -0.001 0.000 0.280 535 K C -0.798 175.722 176.600 -0.135 0.000 1.020 535 K CA 0.048 56.290 56.287 -0.076 0.000 1.008 535 K CB 0.480 32.956 32.500 -0.039 0.000 0.917 535 K HN 0.509 nan 8.250 nan 0.000 0.478 536 L N 2.939 124.062 121.223 -0.167 0.000 2.307 536 L HA 0.404 4.744 4.340 -0.001 0.000 0.284 536 L C 0.274 177.114 176.870 -0.051 0.000 1.023 536 L CA -0.682 53.973 54.840 -0.307 0.000 0.810 536 L CB 1.566 43.336 42.059 -0.482 0.000 1.231 536 L HN 0.784 nan 8.230 nan 0.000 0.423 537 T N -0.199 114.403 114.554 0.080 0.000 2.901 537 T HA 0.520 4.870 4.350 -0.001 0.000 0.293 537 T C -2.842 172.009 174.700 0.251 0.000 1.084 537 T CA -2.429 59.761 62.100 0.151 0.000 1.008 537 T CB 1.614 70.539 68.868 0.094 0.000 1.170 537 T HN 0.182 nan 8.240 nan 0.000 0.509 538 P HA 0.043 nan 4.420 nan 0.000 0.255 538 P C -0.260 177.095 177.300 0.092 0.000 1.151 538 P CA 0.354 63.532 63.100 0.130 0.000 0.767 538 P CB -0.188 31.559 31.700 0.078 0.000 0.736 539 I N 6.453 127.037 120.570 0.024 0.000 2.648 539 I HA -0.013 4.157 4.170 -0.001 0.000 0.284 539 I C -0.981 175.103 176.117 -0.054 0.000 1.153 539 I CA -1.551 59.683 61.300 -0.109 0.000 1.426 539 I CB 0.522 38.340 38.000 -0.304 0.000 1.381 539 I HN 0.338 nan 8.210 nan 0.000 0.571 540 P HA -0.172 nan 4.420 nan 0.000 0.210 540 P C 0.725 178.004 177.300 -0.035 0.000 1.189 540 P CA 1.078 64.162 63.100 -0.027 0.000 0.920 540 P CB 0.166 31.853 31.700 -0.021 0.000 0.782 541 A N -0.993 121.799 122.820 -0.047 0.000 2.426 541 A HA 0.373 4.693 4.320 -0.001 0.000 0.247 541 A C 1.695 179.245 177.584 -0.057 0.000 1.389 541 A CA 0.657 52.668 52.037 -0.044 0.000 1.129 541 A CB -1.419 17.558 19.000 -0.038 0.000 0.928 541 A HN 0.183 nan 8.150 nan 0.000 0.557 542 A N -0.163 122.623 122.820 -0.057 0.000 2.030 542 A HA 0.086 4.406 4.320 -0.001 0.000 0.215 542 A C 2.304 179.854 177.584 -0.057 0.000 1.164 542 A CA 1.512 53.515 52.037 -0.056 0.000 0.697 542 A CB -0.278 18.700 19.000 -0.037 0.000 0.827 542 A HN 0.835 nan 8.150 nan 0.000 0.457 543 S N -0.645 115.028 115.700 -0.046 0.000 2.468 543 S HA 0.119 4.589 4.470 -0.001 0.000 0.226 543 S C 1.085 175.656 174.600 -0.049 0.000 1.051 543 S CA -0.313 57.860 58.200 -0.045 0.000 0.943 543 S CB -0.306 62.876 63.200 -0.029 0.000 0.810 543 S HN 0.427 nan 8.310 nan 0.000 0.509 544 R N 1.663 122.138 120.500 -0.042 0.000 3.097 544 R HA 0.394 4.734 4.340 -0.001 0.000 0.212 544 R C -1.395 174.877 176.300 -0.047 0.000 1.651 544 R CA 0.069 56.147 56.100 -0.037 0.000 1.134 544 R CB -0.724 29.560 30.300 -0.027 0.000 1.241 544 R HN 0.315 nan 8.270 nan 0.000 0.640 545 L N 2.038 123.226 121.223 -0.058 0.000 3.976 545 L HA 0.069 4.408 4.340 -0.001 0.000 0.253 545 L C -1.856 174.955 176.870 -0.098 0.000 1.011 545 L CA -0.599 54.196 54.840 -0.075 0.000 1.069 545 L CB 1.009 43.008 42.059 -0.100 0.000 1.791 545 L HN 0.252 nan 8.230 nan 0.000 0.481 546 L N 5.541 126.716 121.223 -0.079 0.000 2.319 546 L HA 0.528 4.867 4.340 -0.001 0.000 0.280 546 L C -0.444 176.336 176.870 -0.150 0.000 1.099 546 L CA 0.625 55.419 54.840 -0.077 0.000 0.828 546 L CB 0.447 42.490 42.059 -0.027 0.000 1.150 546 L HN 0.687 nan 8.230 nan 0.000 0.442 547 L N 4.030 125.147 121.223 -0.176 0.000 3.429 547 L HA 0.172 4.512 4.340 -0.001 0.000 0.311 547 L C 1.551 178.390 176.870 -0.051 0.000 1.274 547 L CA 0.116 54.755 54.840 -0.335 0.000 1.037 547 L CB 0.583 42.333 42.059 -0.515 0.000 1.433 547 L HN 0.869 nan 8.230 nan 0.000 0.614 548 S N 1.092 116.814 115.700 0.037 0.000 2.380 548 S HA -0.164 4.306 4.470 -0.001 0.000 0.217 548 S C 2.149 176.878 174.600 0.215 0.000 1.036 548 S CA 2.137 60.405 58.200 0.113 0.000 1.050 548 S CB -0.392 62.852 63.200 0.073 0.000 1.016 548 S HN 0.544 nan 8.310 nan 0.000 0.419 549 G N 0.279 109.191 108.800 0.186 0.000 2.745 549 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.225 549 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.225 549 G C 1.075 176.199 174.900 0.373 0.000 1.108 549 G CA 1.563 46.780 45.100 0.194 0.000 0.749 549 G HN 0.632 nan 8.290 nan 0.000 0.625 550 W N 0.216 121.544 121.300 0.047 0.000 2.301 550 W HA 0.039 4.699 4.660 -0.000 0.000 0.325 550 W C 0.900 177.060 176.519 -0.598 0.000 1.250 550 W CA 0.807 57.962 57.345 -0.316 0.000 1.261 550 W CB -0.787 28.480 29.460 -0.322 0.000 1.157 550 W HN 0.109 nan 8.180 nan 0.000 0.473 551 F N -0.786 119.325 119.950 0.268 0.000 2.449 551 F HA 0.351 4.877 4.527 -0.001 0.000 0.344 551 F C 0.390 176.349 175.800 0.265 0.000 1.180 551 F CA -0.451 57.690 58.000 0.234 0.000 1.209 551 F CB 0.288 39.364 39.000 0.127 0.000 1.440 551 F HN -0.387 nan 8.300 nan 0.000 0.526 552 V N 0.138 120.283 119.914 0.384 0.000 3.251 552 V HA 0.640 4.759 4.120 -0.001 0.000 0.239 552 V C 0.671 176.913 176.094 0.246 0.000 1.332 552 V CA 0.450 62.914 62.300 0.274 0.000 1.224 552 V CB 0.584 32.542 31.823 0.225 0.000 1.004 552 V HN 0.502 nan 8.190 nan 0.000 0.464 553 A N -0.472 122.453 122.820 0.176 0.000 2.599 553 A HA 0.781 5.101 4.320 -0.001 0.000 0.290 553 A C -0.369 176.821 177.584 -0.658 0.000 1.101 553 A CA 0.086 52.046 52.037 -0.129 0.000 0.674 553 A CB 0.912 19.718 19.000 -0.323 0.000 1.277 553 A HN 0.445 nan 8.150 nan 0.000 0.419 554 G N -1.266 106.794 108.800 -1.234 0.000 2.367 554 G HA2 0.543 4.503 3.960 -0.001 0.000 0.314 554 G HA3 0.543 4.503 3.960 -0.001 0.000 0.314 554 G C -0.802 173.440 174.900 -1.096 0.000 1.130 554 G CA -0.067 44.038 45.100 -1.658 0.000 0.864 554 G HN 0.619 nan 8.290 nan 0.000 0.486 555 Y N 1.041 121.120 120.300 -0.368 0.000 2.779 555 Y HA 0.291 4.841 4.550 -0.001 0.000 0.251 555 Y C 1.438 177.253 175.900 -0.142 0.000 1.145 555 Y CA -0.618 57.362 58.100 -0.201 0.000 1.201 555 Y CB 0.700 39.077 38.460 -0.138 0.000 1.281 555 Y HN 0.518 nan 8.280 nan 0.000 0.563 556 S N 0.704 116.374 115.700 -0.050 0.000 2.563 556 S HA 0.287 4.757 4.470 -0.001 0.000 0.294 556 S C 1.463 176.075 174.600 0.020 0.000 1.279 556 S CA 1.453 59.654 58.200 0.000 0.000 1.069 556 S CB 0.105 63.305 63.200 0.000 0.000 0.828 556 S HN 1.007 nan 8.310 nan 0.000 0.497 557 G N 3.461 112.281 108.800 0.033 0.000 2.189 557 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.267 557 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.267 557 G C 0.788 175.721 174.900 0.055 0.000 0.975 557 G CA 0.459 45.586 45.100 0.045 0.000 0.644 557 G HN 1.364 nan 8.290 nan 0.000 0.537 558 G N -0.121 108.713 108.800 0.057 0.000 3.141 558 G HA2 0.393 4.353 3.960 -0.001 0.000 0.218 558 G HA3 0.393 4.353 3.960 -0.001 0.000 0.218 558 G C 0.449 175.377 174.900 0.047 0.000 1.170 558 G CA 1.095 46.244 45.100 0.081 0.000 0.769 558 G HN 1.230 nan 8.290 nan 0.000 0.546 559 D N -0.309 120.089 120.400 -0.003 0.000 2.697 559 D HA -0.173 4.467 4.640 -0.001 0.000 0.238 559 D C 0.006 176.253 176.300 -0.087 0.000 1.152 559 D CA 0.371 54.340 54.000 -0.052 0.000 0.666 559 D CB -1.111 39.671 40.800 -0.030 0.000 1.037 559 D HN 0.096 nan 8.370 nan 0.000 0.423 560 I N 1.086 121.569 120.570 -0.144 0.000 2.562 560 I HA 0.469 4.639 4.170 -0.001 0.000 0.301 560 I C -0.049 175.855 176.117 -0.355 0.000 1.003 560 I CA -0.823 60.308 61.300 -0.282 0.000 1.127 560 I CB 1.392 39.097 38.000 -0.490 0.000 1.304 560 I HN 0.157 nan 8.210 nan 0.000 0.446 561 Y N 4.713 124.696 120.300 -0.528 0.000 2.421 561 Y HA 0.498 5.048 4.550 -0.001 0.000 0.339 561 Y C -1.070 174.538 175.900 -0.487 0.000 0.996 561 Y CA -0.487 57.313 58.100 -0.500 0.000 1.046 561 Y CB 1.535 39.815 38.460 -0.300 0.000 1.226 561 Y HN 0.620 nan 8.280 nan 0.000 0.445 562 H N 2.617 121.017 119.070 -1.117 0.000 2.622 562 H HA 0.638 5.193 4.556 -0.000 0.000 0.363 562 H C -0.674 174.204 175.328 -0.749 0.000 1.151 562 H CA -1.101 54.461 56.048 -0.811 0.000 1.184 562 H CB 2.233 31.459 29.762 -0.893 0.000 1.643 562 H HN 0.618 nan 8.280 nan 0.000 0.531 563 S N 0.000 115.610 115.700 -0.150 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 563 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 563 S CB 0.000 63.252 63.200 0.086 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517