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 3fh7_1_A DATA FIRST_RESID 4 DATA SEQUENCE VDTCSLASPA SVCRTKHLHL RCSVDFTRRT LTGTAALTVQ SQEDNLRSLV DATA SEQUENCE LDTKDLTIEK VVINGQEVKY ALGERQSYKG SPMEISLPIA LSKNQEIVIE DATA SEQUENCE ISFETSPKSS ALQWLTPEQT SGKEHPYLFS QCQAIHCRAI LPCQDTPSVK DATA SEQUENCE LTYTAEVSVP KELVALMSAI RDGETPDPED PSRKIYKFIQ KVPIPCYLIA DATA SEQUENCE LVVGALESRQ IGPRTLVWSE KEQVEKSAYE FSETESMLKI AEDLGGPYVW DATA SEQUENCE GQYDLLVLPP SFPYGGMENP CLTFVTPTLL AGDKSLSNVI AHEISHSWTG DATA SEQUENCE NLVTNKTWDH FWLNEGHTVY LERHICGRLF GEKFRHFNAL GGWGELQNSV DATA SEQUENCE KTFGETHPFT KLVVDLTDID PDVAYSSVPY EKGFALLFYL EQLLGGPEIF DATA SEQUENCE LGFLKAYVEK FSYKSITTDD WKDFLYSYFK DKVDVLNQVD WNAWLYSPGL DATA SEQUENCE PPIKPNYDMT LTNACIALSQ RWITAKEDDL NSFNATDLKD LSSHQLNEFL DATA SEQUENCE AQTLQRAPLP LGHIKRMQEV YNFNAINNSE IRFRWLRLCI QSKWEDAIPL DATA SEQUENCE ALKMATEQGR MKFTRPLFKD LAAFDKSHDQ AVRTYQEHKA SMHPVTAMLV DATA SEQUENCE GKDLKVD 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.126 176.094 0.053 0.000 1.182 4 V CA 0.000 62.326 62.300 0.043 0.000 1.235 4 V CB 0.000 31.850 31.823 0.045 0.000 1.184 5 D N 3.376 123.803 120.400 0.044 0.000 2.411 5 D HA 0.247 4.886 4.640 -0.001 0.000 0.225 5 D C 1.465 177.810 176.300 0.075 0.000 1.156 5 D CA 0.489 54.522 54.000 0.056 0.000 0.874 5 D CB 1.907 42.727 40.800 0.035 0.000 1.034 5 D HN 0.845 nan 8.370 nan 0.000 0.502 6 T N -0.109 114.499 114.554 0.090 0.000 3.098 6 T HA -0.101 4.248 4.350 -0.001 0.000 0.266 6 T C 1.762 176.528 174.700 0.110 0.000 1.145 6 T CA 0.349 62.503 62.100 0.090 0.000 1.092 6 T CB -0.391 68.530 68.868 0.089 0.000 0.908 6 T HN 0.427 nan 8.240 nan 0.000 0.526 7 C N 1.219 120.608 119.300 0.149 0.000 2.673 7 C HA 0.458 4.917 4.460 -0.001 0.000 0.264 7 C C 1.435 176.494 174.990 0.114 0.000 1.304 7 C CA -0.560 58.563 59.018 0.175 0.000 1.727 7 C CB -0.973 26.926 27.740 0.265 0.000 1.932 7 C HN 0.617 nan 8.230 nan 0.000 0.563 8 S N -0.105 115.649 115.700 0.089 0.000 2.501 8 S HA 0.620 5.090 4.470 -0.001 0.000 0.301 8 S C 0.235 174.848 174.600 0.023 0.000 1.096 8 S CA -0.545 57.688 58.200 0.055 0.000 1.063 8 S CB 0.650 63.888 63.200 0.062 0.000 1.042 8 S HN 0.418 nan 8.310 nan 0.000 0.494 9 L N 3.040 124.265 121.223 0.003 0.000 2.640 9 L HA 0.402 4.742 4.340 -0.001 0.000 0.230 9 L C 1.161 178.032 176.870 0.001 0.000 1.123 9 L CA -0.237 54.599 54.840 -0.006 0.000 0.900 9 L CB -0.413 41.632 42.059 -0.023 0.000 1.146 9 L HN 0.657 nan 8.230 nan 0.000 0.484 10 A N -0.108 122.716 122.820 0.006 0.000 2.272 10 A HA 0.459 4.778 4.320 -0.001 0.000 0.275 10 A C 0.578 178.167 177.584 0.009 0.000 1.096 10 A CA -0.273 51.767 52.037 0.006 0.000 0.822 10 A CB 0.323 19.325 19.000 0.004 0.000 1.088 10 A HN 0.170 nan 8.150 nan 0.000 0.495 11 S N 2.483 118.188 115.700 0.008 0.000 2.563 11 S HA 0.237 4.707 4.470 -0.001 0.000 0.294 11 S C -1.983 172.624 174.600 0.010 0.000 1.279 11 S CA -0.372 57.834 58.200 0.010 0.000 1.069 11 S CB -0.242 62.964 63.200 0.010 0.000 0.828 11 S HN 0.635 nan 8.310 nan 0.000 0.497 12 P HA 0.224 nan 4.420 nan 0.000 0.274 12 P C 0.433 177.738 177.300 0.008 0.000 1.256 12 P CA -0.460 62.646 63.100 0.011 0.000 0.795 12 P CB 0.602 32.310 31.700 0.012 0.000 1.038 13 A N 1.126 123.950 122.820 0.006 0.000 2.024 13 A HA -0.164 4.155 4.320 -0.001 0.000 0.220 13 A C 2.149 179.736 177.584 0.005 0.000 1.164 13 A CA 2.169 54.209 52.037 0.004 0.000 0.643 13 A CB -1.713 17.286 19.000 -0.001 0.000 0.806 13 A HN 0.660 nan 8.150 nan 0.000 0.451 14 S N -1.001 114.702 115.700 0.006 0.000 2.481 14 S HA -0.014 4.456 4.470 -0.001 0.000 0.231 14 S C 1.546 176.151 174.600 0.007 0.000 0.996 14 S CA 1.169 59.373 58.200 0.007 0.000 0.942 14 S CB -0.316 62.889 63.200 0.008 0.000 0.768 14 S HN 0.230 nan 8.310 nan 0.000 0.520 15 V N 1.087 121.006 119.914 0.008 0.000 2.403 15 V HA 0.200 4.320 4.120 -0.001 0.000 0.239 15 V C 1.289 177.388 176.094 0.009 0.000 1.041 15 V CA 0.839 63.144 62.300 0.009 0.000 1.051 15 V CB -0.125 31.704 31.823 0.010 0.000 0.704 15 V HN 0.918 nan 8.190 nan 0.000 0.472 16 C N -0.504 118.802 119.300 0.009 0.000 3.288 16 C HA 0.810 5.270 4.460 -0.001 0.000 0.318 16 C C -0.820 174.176 174.990 0.009 0.000 1.356 16 C CA -1.286 57.738 59.018 0.009 0.000 1.359 16 C CB 1.682 29.428 27.740 0.011 0.000 1.688 16 C HN 0.438 nan 8.230 nan 0.000 0.467 17 R N 0.766 121.273 120.500 0.011 0.000 2.532 17 R HA 0.595 4.935 4.340 -0.001 0.000 0.297 17 R C -0.842 175.468 176.300 0.017 0.000 0.984 17 R CA -0.273 55.834 56.100 0.012 0.000 0.884 17 R CB 2.215 32.521 30.300 0.010 0.000 1.182 17 R HN 0.858 nan 8.270 nan 0.000 0.442 18 T N 3.913 118.477 114.554 0.017 0.000 2.817 18 T HA 0.062 4.411 4.350 -0.001 0.000 0.295 18 T C 1.009 175.732 174.700 0.038 0.000 0.958 18 T CA -0.190 61.925 62.100 0.025 0.000 1.157 18 T CB 0.649 69.525 68.868 0.013 0.000 0.898 18 T HN 0.275 nan 8.240 nan 0.000 0.536 19 K N 1.711 122.147 120.400 0.060 0.000 2.308 19 K HA 0.143 4.462 4.320 -0.001 0.000 0.197 19 K C 0.523 177.213 176.600 0.150 0.000 1.049 19 K CA 0.612 56.947 56.287 0.079 0.000 0.991 19 K CB 0.193 32.734 32.500 0.067 0.000 0.836 19 K HN 0.756 nan 8.250 nan 0.000 0.500 20 H N -1.094 118.002 119.070 0.042 0.000 3.079 20 H HA 0.464 5.020 4.556 -0.001 0.000 0.356 20 H C -2.011 173.370 175.328 0.089 0.000 1.221 20 H CA -0.972 55.119 56.048 0.072 0.000 1.185 20 H CB 1.379 31.176 29.762 0.059 0.000 1.882 20 H HN -0.080 nan 8.280 nan 0.000 0.543 21 L N 4.343 125.356 121.223 -0.349 0.000 2.356 21 L HA 0.385 4.724 4.340 -0.001 0.000 0.277 21 L C -1.412 175.396 176.870 -0.103 0.000 0.996 21 L CA -0.340 54.416 54.840 -0.140 0.000 0.822 21 L CB 1.245 43.228 42.059 -0.126 0.000 1.256 21 L HN 0.824 nan 8.230 nan 0.000 0.413 22 H N 5.832 124.940 119.070 0.064 0.000 2.581 22 H HA 0.405 4.961 4.556 -0.001 0.000 0.308 22 H C -1.583 173.812 175.328 0.111 0.000 1.040 22 H CA -0.895 55.241 56.048 0.146 0.000 1.231 22 H CB 1.599 31.498 29.762 0.228 0.000 1.396 22 H HN 0.662 nan 8.280 nan 0.000 0.467 23 L N 6.311 127.454 121.223 -0.133 0.000 2.272 23 L HA 0.406 4.746 4.340 -0.001 0.000 0.289 23 L C -0.774 175.961 176.870 -0.226 0.000 1.032 23 L CA -0.343 54.419 54.840 -0.129 0.000 0.810 23 L CB 0.931 42.968 42.059 -0.038 0.000 1.205 23 L HN 0.617 nan 8.230 nan 0.000 0.422 24 R N 5.097 125.476 120.500 -0.201 0.000 2.439 24 R HA 0.716 5.056 4.340 -0.001 0.000 0.310 24 R C -1.147 175.114 176.300 -0.065 0.000 0.955 24 R CA -0.515 55.513 56.100 -0.121 0.000 0.853 24 R CB 1.271 31.489 30.300 -0.136 0.000 1.171 24 R HN 0.920 nan 8.270 nan 0.000 0.449 25 C N -0.733 118.551 119.300 -0.026 0.000 3.288 25 C HA 0.782 5.241 4.460 -0.001 0.000 0.318 25 C C -0.597 174.381 174.990 -0.019 0.000 1.356 25 C CA -0.978 58.005 59.018 -0.059 0.000 1.359 25 C CB 1.882 29.597 27.740 -0.042 0.000 1.688 25 C HN 0.689 nan 8.230 nan 0.000 0.467 26 S N 0.351 116.025 115.700 -0.043 0.000 2.532 26 S HA 0.719 5.189 4.470 -0.001 0.000 0.299 26 S C -1.016 173.581 174.600 -0.005 0.000 1.105 26 S CA -0.339 57.858 58.200 -0.004 0.000 1.018 26 S CB 1.300 64.494 63.200 -0.010 0.000 1.021 26 S HN 1.118 nan 8.310 nan 0.000 0.483 27 V N 4.809 124.733 119.914 0.018 0.000 2.368 27 V HA 0.322 4.442 4.120 -0.001 0.000 0.266 27 V C -0.085 176.000 176.094 -0.014 0.000 1.045 27 V CA -0.606 61.683 62.300 -0.018 0.000 0.899 27 V CB 0.991 32.740 31.823 -0.124 0.000 1.006 27 V HN 0.850 nan 8.190 nan 0.000 0.470 28 D N 4.027 124.414 120.400 -0.022 0.000 2.467 28 D HA 0.274 4.914 4.640 -0.001 0.000 0.220 28 D C 0.617 176.825 176.300 -0.154 0.000 1.103 28 D CA -0.397 53.577 54.000 -0.044 0.000 0.886 28 D CB 0.773 41.532 40.800 -0.069 0.000 1.025 28 D HN 0.343 nan 8.370 nan 0.000 0.514 29 F N 1.241 121.234 119.950 0.071 0.000 2.293 29 F HA -0.117 4.410 4.527 -0.001 0.000 0.300 29 F C 2.464 178.197 175.800 -0.112 0.000 1.086 29 F CA 0.895 58.926 58.000 0.051 0.000 1.375 29 F CB -0.194 38.916 39.000 0.183 0.000 1.045 29 F HN 0.315 nan 8.300 nan 0.000 0.516 30 T N -0.404 114.194 114.554 0.073 0.000 2.777 30 T HA -0.151 4.198 4.350 -0.001 0.000 0.266 30 T C 1.858 176.488 174.700 -0.117 0.000 1.040 30 T CA 1.306 63.402 62.100 -0.007 0.000 1.141 30 T CB -0.183 68.689 68.868 0.006 0.000 0.868 30 T HN 0.245 nan 8.240 nan 0.000 0.444 31 R N 0.081 120.465 120.500 -0.194 0.000 2.334 31 R HA 0.318 4.658 4.340 -0.001 0.000 0.212 31 R C 0.202 176.227 176.300 -0.458 0.000 0.897 31 R CA -0.205 55.746 56.100 -0.248 0.000 1.056 31 R CB 0.291 30.484 30.300 -0.178 0.000 1.046 31 R HN 0.187 nan 8.270 nan 0.000 0.513 32 R N 1.364 121.385 120.500 -0.798 0.000 3.333 32 R HA -0.138 4.202 4.340 -0.001 0.000 0.256 32 R C -0.685 174.907 176.300 -1.179 0.000 1.010 32 R CA 1.160 56.194 56.100 -1.776 0.000 0.680 32 R CB -2.194 27.206 30.300 -1.501 0.000 1.102 32 R HN 0.391 nan 8.270 nan 0.000 0.440 33 T N -2.531 111.657 114.554 -0.610 0.000 2.893 33 T HA 0.666 5.015 4.350 -0.001 0.000 0.291 33 T C -0.154 174.603 174.700 0.096 0.000 1.028 33 T CA -1.101 60.930 62.100 -0.115 0.000 0.995 33 T CB 2.553 71.350 68.868 -0.118 0.000 1.051 33 T HN 0.229 nan 8.240 nan 0.000 0.470 34 L N 1.958 123.278 121.223 0.162 0.000 2.296 34 L HA 0.710 5.050 4.340 -0.001 0.000 0.286 34 L C -0.826 175.997 176.870 -0.078 0.000 1.023 34 L CA -0.212 54.679 54.840 0.084 0.000 0.812 34 L CB 1.509 43.651 42.059 0.139 0.000 1.223 34 L HN 0.923 nan 8.230 nan 0.000 0.421 35 T N 3.783 118.223 114.554 -0.189 0.000 2.861 35 T HA 0.874 5.224 4.350 -0.001 0.000 0.287 35 T C -0.036 174.380 174.700 -0.472 0.000 1.003 35 T CA -0.109 61.772 62.100 -0.366 0.000 0.977 35 T CB 1.781 70.521 68.868 -0.215 0.000 0.996 35 T HN 0.983 nan 8.240 nan 0.000 0.448 36 G N 1.501 109.829 108.800 -0.787 0.000 2.452 36 G HA2 0.490 4.449 3.960 -0.001 0.000 0.224 36 G HA3 0.490 4.449 3.960 -0.001 0.000 0.224 36 G C -1.058 173.540 174.900 -0.504 0.000 1.208 36 G CA -0.134 44.656 45.100 -0.515 0.000 0.946 36 G HN 0.977 nan 8.290 nan 0.000 0.481 37 T N -1.992 112.470 114.554 -0.154 0.000 2.848 37 T HA 0.794 5.144 4.350 -0.001 0.000 0.285 37 T C -0.310 174.508 174.700 0.197 0.000 0.995 37 T CA 0.351 62.491 62.100 0.067 0.000 0.970 37 T CB 1.759 70.634 68.868 0.012 0.000 0.976 37 T HN 1.978 nan 8.240 nan 0.000 0.441 38 A N 2.508 125.500 122.820 0.287 0.000 2.256 38 A HA 0.799 5.119 4.320 -0.001 0.000 0.317 38 A C 0.373 177.992 177.584 0.059 0.000 1.318 38 A CA -0.867 51.236 52.037 0.111 0.000 0.894 38 A CB 0.054 19.032 19.000 -0.037 0.000 1.165 38 A HN 1.419 nan 8.150 nan 0.000 0.525 39 A N 3.820 126.680 122.820 0.066 0.000 2.294 39 A HA 0.619 4.939 4.320 -0.001 0.000 0.316 39 A C -0.367 177.280 177.584 0.105 0.000 1.359 39 A CA -0.301 51.795 52.037 0.098 0.000 0.956 39 A CB -0.168 18.929 19.000 0.162 0.000 1.155 39 A HN 0.801 nan 8.150 nan 0.000 0.544 40 L N 2.689 123.951 121.223 0.064 0.000 2.264 40 L HA 0.342 4.681 4.340 -0.001 0.000 0.289 40 L C 0.167 177.083 176.870 0.077 0.000 1.044 40 L CA -0.340 54.534 54.840 0.057 0.000 0.807 40 L CB 1.570 43.637 42.059 0.014 0.000 1.192 40 L HN 0.578 nan 8.230 nan 0.000 0.425 41 T N 3.178 117.798 114.554 0.110 0.000 2.729 41 T HA 0.364 4.714 4.350 -0.001 0.000 0.296 41 T C 0.038 174.777 174.700 0.064 0.000 0.928 41 T CA -0.281 61.874 62.100 0.092 0.000 1.045 41 T CB 0.921 69.860 68.868 0.118 0.000 0.902 41 T HN 0.196 nan 8.240 nan 0.000 0.500 42 V N 4.383 124.322 119.914 0.042 0.000 2.495 42 V HA 0.428 4.547 4.120 -0.001 0.000 0.298 42 V C -0.028 176.079 176.094 0.023 0.000 1.031 42 V CA -0.915 61.403 62.300 0.030 0.000 0.871 42 V CB 1.837 33.674 31.823 0.023 0.000 0.988 42 V HN 0.795 nan 8.190 nan 0.000 0.432 43 Q N 2.800 122.611 119.800 0.019 0.000 2.325 43 Q HA 0.439 4.778 4.340 -0.001 0.000 0.262 43 Q C -0.135 175.871 176.000 0.011 0.000 0.968 43 Q CA -0.225 55.586 55.803 0.013 0.000 0.877 43 Q CB 1.606 30.350 28.738 0.010 0.000 1.253 43 Q HN 0.795 nan 8.270 nan 0.000 0.448 44 S N 2.770 118.476 115.700 0.009 0.000 2.560 44 S HA 0.031 4.501 4.470 -0.001 0.000 0.284 44 S C 0.457 175.061 174.600 0.006 0.000 1.327 44 S CA 0.011 58.216 58.200 0.008 0.000 1.055 44 S CB 0.641 63.846 63.200 0.008 0.000 0.868 44 S HN 0.737 nan 8.310 nan 0.000 0.506 45 Q N 2.249 122.053 119.800 0.006 0.000 2.247 45 Q HA 0.343 4.682 4.340 -0.001 0.000 0.211 45 Q C -0.294 175.709 176.000 0.005 0.000 0.861 45 Q CA 0.317 56.123 55.803 0.005 0.000 0.949 45 Q CB 0.537 29.278 28.738 0.005 0.000 1.115 45 Q HN 0.717 nan 8.270 nan 0.000 0.507 46 E N 0.427 120.630 120.200 0.006 0.000 2.336 46 E HA 0.246 4.596 4.350 -0.001 0.000 0.267 46 E C -1.345 175.259 176.600 0.005 0.000 0.906 46 E CA -0.722 55.682 56.400 0.006 0.000 0.781 46 E CB 1.619 31.323 29.700 0.007 0.000 1.261 46 E HN -0.092 nan 8.360 nan 0.000 0.436 47 D N 0.704 121.107 120.400 0.005 0.000 2.399 47 D HA 0.005 4.645 4.640 -0.001 0.000 0.241 47 D C 0.017 176.320 176.300 0.006 0.000 1.133 47 D CA 0.506 54.509 54.000 0.005 0.000 0.890 47 D CB 0.385 41.188 40.800 0.004 0.000 1.201 47 D HN 0.452 nan 8.370 nan 0.000 0.432 48 N N 1.482 120.185 118.700 0.006 0.000 2.727 48 N HA -0.215 4.525 4.740 -0.001 0.000 0.249 48 N C -1.334 174.180 175.510 0.008 0.000 1.048 48 N CA 0.172 53.226 53.050 0.006 0.000 0.714 48 N CB -1.187 37.304 38.487 0.006 0.000 0.959 48 N HN 0.395 nan 8.380 nan 0.000 0.544 49 L N 0.570 121.798 121.223 0.009 0.000 2.319 49 L HA 0.333 4.673 4.340 -0.001 0.000 0.280 49 L C 1.303 178.180 176.870 0.012 0.000 1.099 49 L CA 0.425 55.271 54.840 0.010 0.000 0.828 49 L CB 0.655 42.720 42.059 0.010 0.000 1.150 49 L HN 0.253 nan 8.230 nan 0.000 0.442 50 R N 1.826 122.333 120.500 0.013 0.000 2.446 50 R HA 0.286 4.625 4.340 -0.001 0.000 0.254 50 R C -0.418 175.893 176.300 0.018 0.000 0.918 50 R CA 0.454 56.562 56.100 0.015 0.000 1.069 50 R CB 0.472 30.779 30.300 0.013 0.000 1.194 50 R HN 0.791 nan 8.270 nan 0.000 0.534 51 S N 0.074 115.785 115.700 0.018 0.000 2.596 51 S HA 0.663 5.133 4.470 -0.001 0.000 0.270 51 S C -1.160 173.452 174.600 0.021 0.000 1.155 51 S CA -1.112 57.101 58.200 0.023 0.000 0.827 51 S CB 1.740 64.954 63.200 0.023 0.000 1.130 51 S HN 0.124 nan 8.310 nan 0.000 0.467 52 L N -1.432 119.805 121.223 0.023 0.000 2.469 52 L HA 1.008 5.348 4.340 -0.001 0.000 0.256 52 L C -1.581 175.301 176.870 0.020 0.000 1.006 52 L CA -1.081 53.770 54.840 0.019 0.000 0.832 52 L CB 1.595 43.663 42.059 0.015 0.000 1.421 52 L HN 0.538 nan 8.230 nan 0.000 0.410 53 V N 2.120 122.042 119.914 0.014 0.000 2.555 53 V HA 0.593 4.713 4.120 -0.001 0.000 0.302 53 V C -0.117 175.979 176.094 0.003 0.000 1.038 53 V CA -0.399 61.909 62.300 0.013 0.000 0.887 53 V CB 1.619 33.449 31.823 0.012 0.000 0.991 53 V HN 0.659 nan 8.190 nan 0.000 0.434 54 L N 2.632 123.853 121.223 -0.003 0.000 2.330 54 L HA 0.600 4.940 4.340 -0.001 0.000 0.271 54 L C -0.295 176.562 176.870 -0.021 0.000 1.013 54 L CA -0.835 53.994 54.840 -0.019 0.000 0.816 54 L CB 1.960 43.995 42.059 -0.039 0.000 1.287 54 L HN 0.546 nan 8.230 nan 0.000 0.435 55 D N 1.267 121.651 120.400 -0.027 0.000 2.345 55 D HA 0.337 4.977 4.640 -0.001 0.000 0.247 55 D C -0.042 176.229 176.300 -0.048 0.000 1.108 55 D CA 0.374 54.356 54.000 -0.030 0.000 0.894 55 D CB 1.777 42.565 40.800 -0.021 0.000 1.203 55 D HN 0.624 nan 8.370 nan 0.000 0.430 56 T N -1.240 113.289 114.554 -0.041 0.000 2.864 56 T HA 0.588 4.938 4.350 -0.001 0.000 0.299 56 T C -0.808 173.876 174.700 -0.026 0.000 1.166 56 T CA -1.050 61.022 62.100 -0.047 0.000 1.007 56 T CB 2.654 71.498 68.868 -0.039 0.000 1.219 56 T HN 0.300 nan 8.240 nan 0.000 0.506 57 K N 0.954 121.345 120.400 -0.015 0.000 2.651 57 K HA 0.321 4.641 4.320 -0.001 0.000 0.259 57 K C -1.135 175.478 176.600 0.021 0.000 1.017 57 K CA -0.438 55.852 56.287 0.006 0.000 0.897 57 K CB 0.707 33.218 32.500 0.019 0.000 1.262 57 K HN 0.810 nan 8.250 nan 0.000 0.460 58 D N 2.377 122.791 120.400 0.023 0.000 2.772 58 D HA -0.205 4.434 4.640 -0.001 0.000 0.233 58 D C -0.426 175.899 176.300 0.042 0.000 1.143 58 D CA 1.024 55.043 54.000 0.031 0.000 0.700 58 D CB -0.738 40.083 40.800 0.035 0.000 1.076 58 D HN 0.445 nan 8.370 nan 0.000 0.430 59 L N 0.234 121.481 121.223 0.040 0.000 2.325 59 L HA 0.339 4.678 4.340 -0.001 0.000 0.279 59 L C 0.896 177.808 176.870 0.070 0.000 1.054 59 L CA -0.284 54.595 54.840 0.064 0.000 0.804 59 L CB 1.653 43.731 42.059 0.032 0.000 1.200 59 L HN -0.204 nan 8.230 nan 0.000 0.436 60 T N 3.910 118.519 114.554 0.091 0.000 2.743 60 T HA 0.445 4.795 4.350 -0.001 0.000 0.292 60 T C -0.020 174.734 174.700 0.090 0.000 0.972 60 T CA -0.392 61.753 62.100 0.076 0.000 0.967 60 T CB 0.717 69.615 68.868 0.050 0.000 0.926 60 T HN 0.147 nan 8.240 nan 0.000 0.459 61 I N 3.366 123.982 120.570 0.077 0.000 2.315 61 I HA 0.274 4.444 4.170 -0.001 0.000 0.291 61 I C 1.338 177.490 176.117 0.058 0.000 1.006 61 I CA -0.398 60.916 61.300 0.024 0.000 1.265 61 I CB 1.244 39.172 38.000 -0.121 0.000 1.387 61 I HN 0.795 nan 8.210 nan 0.000 0.475 62 E N 6.220 126.436 120.200 0.027 0.000 2.075 62 E HA -0.004 4.346 4.350 -0.001 0.000 0.190 62 E C 0.030 176.677 176.600 0.079 0.000 0.969 62 E CA 0.815 57.246 56.400 0.053 0.000 0.815 62 E CB 0.728 30.437 29.700 0.016 0.000 0.776 62 E HN 0.728 nan 8.360 nan 0.000 0.457 63 K N -1.700 118.694 120.400 -0.009 0.000 2.642 63 K HA 0.414 4.733 4.320 -0.001 0.000 0.290 63 K C -1.607 174.929 176.600 -0.107 0.000 1.006 63 K CA -0.879 55.416 56.287 0.013 0.000 0.869 63 K CB 1.845 34.384 32.500 0.066 0.000 1.499 63 K HN -0.138 nan 8.250 nan 0.000 0.403 64 V N 1.435 121.319 119.914 -0.051 0.000 2.482 64 V HA 0.434 4.554 4.120 -0.001 0.000 0.295 64 V C -1.103 175.009 176.094 0.030 0.000 1.026 64 V CA -0.787 61.481 62.300 -0.052 0.000 0.856 64 V CB 1.660 33.428 31.823 -0.091 0.000 1.001 64 V HN 0.580 nan 8.190 nan 0.000 0.424 65 V N 6.534 126.462 119.914 0.023 0.000 2.448 65 V HA 0.594 4.713 4.120 -0.001 0.000 0.295 65 V C -0.358 175.756 176.094 0.034 0.000 1.025 65 V CA -0.372 61.949 62.300 0.035 0.000 0.859 65 V CB 1.879 33.721 31.823 0.033 0.000 0.988 65 V HN 0.719 nan 8.190 nan 0.000 0.431 66 I N 4.414 125.006 120.570 0.036 0.000 2.533 66 I HA 0.498 4.667 4.170 -0.001 0.000 0.290 66 I C 0.074 176.209 176.117 0.030 0.000 1.056 66 I CA -0.710 60.610 61.300 0.033 0.000 1.057 66 I CB 2.039 40.059 38.000 0.033 0.000 1.240 66 I HN 0.617 nan 8.210 nan 0.000 0.423 67 N N 4.442 123.158 118.700 0.027 0.000 2.725 67 N HA -0.195 4.544 4.740 -0.001 0.000 0.249 67 N C 0.893 176.416 175.510 0.023 0.000 1.103 67 N CA 1.367 54.431 53.050 0.023 0.000 0.707 67 N CB -1.064 37.435 38.487 0.020 0.000 1.043 67 N HN 1.210 nan 8.380 nan 0.000 0.553 68 G N -1.804 107.011 108.800 0.025 0.000 2.184 68 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.264 68 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.264 68 G C -0.208 174.707 174.900 0.025 0.000 0.975 68 G CA 0.738 45.852 45.100 0.024 0.000 0.642 68 G HN 0.457 nan 8.290 nan 0.000 0.536 69 Q N 0.194 120.011 119.800 0.028 0.000 2.377 69 Q HA 0.450 4.789 4.340 -0.001 0.000 0.271 69 Q C -0.100 175.924 176.000 0.040 0.000 1.077 69 Q CA -0.615 55.206 55.803 0.031 0.000 0.820 69 Q CB 1.532 30.286 28.738 0.027 0.000 1.347 69 Q HN 0.609 nan 8.270 nan 0.000 0.444 70 E N 0.968 121.196 120.200 0.045 0.000 2.360 70 E HA 0.265 4.614 4.350 -0.001 0.000 0.269 70 E C 0.014 176.658 176.600 0.073 0.000 1.022 70 E CA -0.232 56.207 56.400 0.065 0.000 0.887 70 E CB 0.927 30.670 29.700 0.071 0.000 0.990 70 E HN 0.371 nan 8.360 nan 0.000 0.426 71 V N -0.302 119.673 119.914 0.102 0.000 3.113 71 V HA 0.465 4.585 4.120 -0.001 0.000 0.316 71 V C -0.394 175.792 176.094 0.153 0.000 1.125 71 V CA -1.290 61.071 62.300 0.101 0.000 1.026 71 V CB 1.824 33.699 31.823 0.087 0.000 1.080 71 V HN 0.411 nan 8.190 nan 0.000 0.444 72 K N 2.083 122.541 120.400 0.096 0.000 2.298 72 K HA 0.425 4.745 4.320 -0.001 0.000 0.280 72 K C -0.905 175.778 176.600 0.139 0.000 1.032 72 K CA 0.162 56.478 56.287 0.048 0.000 0.958 72 K CB 0.791 33.289 32.500 -0.004 0.000 0.978 72 K HN 0.965 nan 8.250 nan 0.000 0.472 73 Y N -2.031 118.275 120.300 0.009 0.000 2.625 73 Y HA 0.718 5.268 4.550 -0.001 0.000 0.338 73 Y C -1.493 174.411 175.900 0.007 0.000 1.123 73 Y CA -1.452 56.653 58.100 0.008 0.000 1.046 73 Y CB 1.479 39.946 38.460 0.011 0.000 1.299 73 Y HN 0.545 nan 8.280 nan 0.000 0.464 74 A N 2.300 125.172 122.820 0.088 0.000 2.486 74 A HA 0.699 5.018 4.320 -0.001 0.000 0.300 74 A C -2.021 175.631 177.584 0.112 0.000 1.048 74 A CA -0.845 51.195 52.037 0.004 0.000 0.696 74 A CB 1.413 20.397 19.000 -0.027 0.000 1.278 74 A HN 0.835 nan 8.150 nan 0.000 0.405 75 L N 2.704 123.985 121.223 0.095 0.000 2.264 75 L HA 0.515 4.855 4.340 -0.001 0.000 0.289 75 L C 1.197 178.090 176.870 0.038 0.000 1.044 75 L CA -0.460 54.431 54.840 0.084 0.000 0.807 75 L CB 1.449 43.566 42.059 0.096 0.000 1.192 75 L HN 0.959 nan 8.230 nan 0.000 0.425 76 G N 2.220 111.036 108.800 0.027 0.000 2.653 76 G HA2 0.098 4.058 3.960 -0.001 0.000 0.265 76 G HA3 0.098 4.058 3.960 -0.001 0.000 0.265 76 G C -0.302 174.601 174.900 0.004 0.000 1.237 76 G CA -0.422 44.684 45.100 0.010 0.000 0.946 76 G HN 0.672 nan 8.290 nan 0.000 0.522 77 E N -0.777 119.422 120.200 -0.003 0.000 2.392 77 E HA 0.163 4.512 4.350 -0.001 0.000 0.264 77 E C 0.783 177.374 176.600 -0.015 0.000 1.024 77 E CA -0.419 55.977 56.400 -0.007 0.000 0.903 77 E CB 0.514 30.209 29.700 -0.009 0.000 0.963 77 E HN 0.410 nan 8.360 nan 0.000 0.432 78 R N 2.771 123.262 120.500 -0.015 0.000 2.570 78 R HA -0.043 4.296 4.340 -0.001 0.000 0.277 78 R C -0.345 175.928 176.300 -0.046 0.000 1.039 78 R CA 0.552 56.636 56.100 -0.027 0.000 1.065 78 R CB 0.432 30.722 30.300 -0.016 0.000 0.964 78 R HN 0.573 nan 8.270 nan 0.000 0.428 79 Q N 3.497 123.249 119.800 -0.081 0.000 2.842 79 Q HA 0.124 4.464 4.340 -0.001 0.000 0.323 79 Q C -0.081 175.796 176.000 -0.205 0.000 1.111 79 Q CA -0.238 55.490 55.803 -0.125 0.000 1.047 79 Q CB 1.085 29.739 28.738 -0.140 0.000 1.280 79 Q HN 0.978 nan 8.270 nan 0.000 0.475 80 S N 0.574 116.204 115.700 -0.118 0.000 3.949 80 S HA -0.358 4.111 4.470 -0.001 0.000 0.626 80 S C 0.954 175.491 174.600 -0.104 0.000 2.168 80 S CA 1.866 60.017 58.200 -0.080 0.000 4.124 80 S CB -1.127 62.040 63.200 -0.055 0.000 0.220 80 S HN 0.823 nan 8.310 nan 0.000 0.750 81 Y N 0.995 121.297 120.300 0.004 0.000 2.497 81 Y HA 0.280 4.830 4.550 -0.001 0.000 0.292 81 Y C 1.970 177.852 175.900 -0.031 0.000 1.137 81 Y CA 1.313 59.409 58.100 -0.008 0.000 1.285 81 Y CB -0.511 37.939 38.460 -0.016 0.000 0.991 81 Y HN 0.401 nan 8.280 nan 0.000 0.556 82 K N 0.961 121.024 120.400 -0.561 0.000 2.366 82 K HA 0.226 4.546 4.320 -0.001 0.000 0.198 82 K C 1.365 177.880 176.600 -0.142 0.000 1.044 82 K CA 0.513 56.612 56.287 -0.312 0.000 0.973 82 K CB -0.216 32.054 32.500 -0.384 0.000 0.767 82 K HN 0.616 nan 8.250 nan 0.000 0.475 83 G N 0.718 109.450 108.800 -0.114 0.000 2.553 83 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.242 83 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.242 83 G C -0.685 174.181 174.900 -0.056 0.000 1.277 83 G CA -0.394 44.673 45.100 -0.056 0.000 0.910 83 G HN 0.179 nan 8.290 nan 0.000 0.576 84 S N 2.904 118.585 115.700 -0.031 0.000 2.519 84 S HA 0.709 5.179 4.470 -0.001 0.000 0.309 84 S C -2.587 172.006 174.600 -0.012 0.000 1.100 84 S CA -0.623 57.566 58.200 -0.019 0.000 1.059 84 S CB 2.739 65.938 63.200 -0.001 0.000 1.008 84 S HN 0.740 nan 8.310 nan 0.000 0.478 85 P HA 0.166 nan 4.420 nan 0.000 0.275 85 P C -0.991 176.320 177.300 0.018 0.000 1.227 85 P CA -0.349 62.750 63.100 -0.002 0.000 0.781 85 P CB 0.518 32.217 31.700 -0.003 0.000 0.906 86 M N 2.614 122.226 119.600 0.020 0.000 2.043 86 M HA 0.241 4.720 4.480 -0.001 0.000 0.322 86 M C -0.161 176.171 176.300 0.053 0.000 0.962 86 M CA -0.507 54.822 55.300 0.048 0.000 0.927 86 M CB 0.818 33.431 32.600 0.022 0.000 1.466 86 M HN 0.311 nan 8.290 nan 0.000 0.412 87 E N 5.190 125.435 120.200 0.074 0.000 2.227 87 E HA 0.432 4.781 4.350 -0.001 0.000 0.282 87 E C -1.450 175.213 176.600 0.104 0.000 1.015 87 E CA -0.372 56.068 56.400 0.066 0.000 0.823 87 E CB 1.095 30.823 29.700 0.047 0.000 1.081 87 E HN 0.721 nan 8.360 nan 0.000 0.396 88 I N 2.904 123.523 120.570 0.081 0.000 2.433 88 I HA 0.169 4.339 4.170 -0.001 0.000 0.292 88 I C -0.358 175.801 176.117 0.071 0.000 1.001 88 I CA -0.670 60.690 61.300 0.100 0.000 1.119 88 I CB 2.104 40.144 38.000 0.067 0.000 1.289 88 I HN 0.348 nan 8.210 nan 0.000 0.438 89 S N 6.902 122.647 115.700 0.076 0.000 2.430 89 S HA 0.460 4.929 4.470 -0.001 0.000 0.289 89 S C -0.056 174.572 174.600 0.046 0.000 1.143 89 S CA -0.619 57.610 58.200 0.049 0.000 1.067 89 S CB 0.322 63.546 63.200 0.040 0.000 0.964 89 S HN 0.330 nan 8.310 nan 0.000 0.485 90 L N 5.662 126.906 121.223 0.035 0.000 2.416 90 L HA 0.213 4.553 4.340 -0.001 0.000 0.272 90 L C -0.851 176.035 176.870 0.027 0.000 1.161 90 L CA -1.514 53.344 54.840 0.031 0.000 0.845 90 L CB 0.395 42.469 42.059 0.024 0.000 1.119 90 L HN 0.445 nan 8.230 nan 0.000 0.464 91 P HA 0.004 nan 4.420 nan 0.000 0.221 91 P C 0.141 177.451 177.300 0.018 0.000 1.150 91 P CA 1.226 64.340 63.100 0.023 0.000 0.800 91 P CB 0.550 32.264 31.700 0.024 0.000 0.787 92 I N -0.917 119.663 120.570 0.017 0.000 2.619 92 I HA 0.416 4.586 4.170 -0.001 0.000 0.292 92 I C -0.166 175.959 176.117 0.013 0.000 1.100 92 I CA -1.579 59.729 61.300 0.013 0.000 1.043 92 I CB 2.243 40.250 38.000 0.012 0.000 1.239 92 I HN -0.215 nan 8.210 nan 0.000 0.420 93 A N 6.915 129.742 122.820 0.011 0.000 2.498 93 A HA 0.521 4.841 4.320 -0.001 0.000 0.239 93 A C -0.384 177.205 177.584 0.009 0.000 1.068 93 A CA 0.190 52.233 52.037 0.010 0.000 0.766 93 A CB 0.102 19.107 19.000 0.008 0.000 1.003 93 A HN 0.657 nan 8.150 nan 0.000 0.497 94 L N 2.449 123.677 121.223 0.009 0.000 2.322 94 L HA 0.442 4.781 4.340 -0.001 0.000 0.279 94 L C 0.879 177.753 176.870 0.007 0.000 1.036 94 L CA -0.561 54.284 54.840 0.008 0.000 0.807 94 L CB 1.802 43.867 42.059 0.010 0.000 1.226 94 L HN 0.896 nan 8.230 nan 0.000 0.433 95 S N 1.390 117.093 115.700 0.005 0.000 2.681 95 S HA 0.280 4.750 4.470 -0.001 0.000 0.270 95 S C -0.220 174.382 174.600 0.004 0.000 1.209 95 S CA -0.881 57.321 58.200 0.004 0.000 0.988 95 S CB 1.254 64.455 63.200 0.002 0.000 1.006 95 S HN 0.582 nan 8.310 nan 0.000 0.558 96 K N 0.684 121.085 120.400 0.003 0.000 2.451 96 K HA 0.001 4.321 4.320 -0.001 0.000 0.280 96 K C -0.159 176.442 176.600 0.001 0.000 1.020 96 K CA 0.374 56.662 56.287 0.002 0.000 1.008 96 K CB -0.199 32.302 32.500 0.002 0.000 0.917 96 K HN 0.720 nan 8.250 nan 0.000 0.478 97 N N 1.198 119.899 118.700 0.001 0.000 2.984 97 N HA -0.221 4.519 4.740 -0.001 0.000 0.227 97 N C -0.505 175.005 175.510 -0.000 0.000 0.903 97 N CA 0.914 53.963 53.050 -0.001 0.000 0.995 97 N CB -0.837 37.648 38.487 -0.004 0.000 1.065 97 N HN 0.785 nan 8.380 nan 0.000 0.585 98 Q N 1.335 121.136 119.800 0.002 0.000 2.332 98 Q HA 0.160 4.500 4.340 -0.001 0.000 0.263 98 Q C -0.501 175.502 176.000 0.005 0.000 0.979 98 Q CA 0.474 56.279 55.803 0.002 0.000 0.885 98 Q CB 0.574 29.314 28.738 0.004 0.000 1.218 98 Q HN 0.167 nan 8.270 nan 0.000 0.405 99 E N 3.911 124.113 120.200 0.005 0.000 2.202 99 E HA 0.547 4.897 4.350 -0.001 0.000 0.272 99 E C -0.555 176.052 176.600 0.012 0.000 0.951 99 E CA -0.630 55.776 56.400 0.009 0.000 0.813 99 E CB 1.518 31.222 29.700 0.007 0.000 1.151 99 E HN 0.588 nan 8.360 nan 0.000 0.398 100 I N -2.465 118.116 120.570 0.018 0.000 3.095 100 I HA 0.581 4.750 4.170 -0.001 0.000 0.310 100 I C -1.041 175.094 176.117 0.030 0.000 1.196 100 I CA -1.328 59.985 61.300 0.021 0.000 0.985 100 I CB 1.859 39.871 38.000 0.020 0.000 1.250 100 I HN 0.139 nan 8.210 nan 0.000 0.446 101 V N 4.034 123.968 119.914 0.034 0.000 2.370 101 V HA 0.493 4.613 4.120 -0.001 0.000 0.283 101 V C -0.082 176.038 176.094 0.043 0.000 1.023 101 V CA -0.319 62.010 62.300 0.047 0.000 0.857 101 V CB 1.310 33.166 31.823 0.055 0.000 0.985 101 V HN 0.468 nan 8.190 nan 0.000 0.443 102 I N 4.163 124.759 120.570 0.042 0.000 2.362 102 I HA 0.454 4.624 4.170 -0.001 0.000 0.289 102 I C 0.021 176.159 176.117 0.034 0.000 0.994 102 I CA -0.308 61.011 61.300 0.031 0.000 1.158 102 I CB 1.710 39.721 38.000 0.019 0.000 1.315 102 I HN 0.647 nan 8.210 nan 0.000 0.451 103 E N 7.744 127.964 120.200 0.033 0.000 2.113 103 E HA 0.508 4.857 4.350 -0.001 0.000 0.273 103 E C -1.228 175.386 176.600 0.022 0.000 0.924 103 E CA -0.601 55.823 56.400 0.040 0.000 0.764 103 E CB 1.206 30.936 29.700 0.051 0.000 1.104 103 E HN 0.524 nan 8.360 nan 0.000 0.406 104 I N 3.362 123.952 120.570 0.032 0.000 2.362 104 I HA 0.191 4.361 4.170 -0.001 0.000 0.289 104 I C -0.150 176.044 176.117 0.128 0.000 0.994 104 I CA -0.630 60.681 61.300 0.019 0.000 1.158 104 I CB 1.908 39.888 38.000 -0.034 0.000 1.315 104 I HN 0.356 nan 8.210 nan 0.000 0.451 105 S N 6.907 122.642 115.700 0.059 0.000 2.499 105 S HA 0.602 5.071 4.470 -0.001 0.000 0.275 105 S C -0.490 174.163 174.600 0.088 0.000 1.257 105 S CA -0.385 57.837 58.200 0.038 0.000 1.050 105 S CB 0.199 63.388 63.200 -0.019 0.000 0.937 105 S HN 0.473 nan 8.310 nan 0.000 0.490 106 F N 0.429 120.342 119.950 -0.061 0.000 2.685 106 F HA 0.816 5.343 4.527 -0.001 0.000 0.315 106 F C -0.841 174.937 175.800 -0.036 0.000 1.126 106 F CA -1.184 56.782 58.000 -0.056 0.000 0.950 106 F CB 1.386 40.348 39.000 -0.064 0.000 1.360 106 F HN 0.434 nan 8.300 nan 0.000 0.469 107 E N 0.881 121.136 120.200 0.092 0.000 2.321 107 E HA 0.402 4.752 4.350 -0.001 0.000 0.278 107 E C -1.200 175.509 176.600 0.182 0.000 0.902 107 E CA -0.881 55.526 56.400 0.012 0.000 0.758 107 E CB 2.231 31.907 29.700 -0.041 0.000 1.213 107 E HN 0.939 nan 8.360 nan 0.000 0.426 108 T N 0.466 115.131 114.554 0.185 0.000 2.828 108 T HA 0.281 4.631 4.350 -0.001 0.000 0.290 108 T C 0.481 175.231 174.700 0.083 0.000 1.019 108 T CA -0.698 61.502 62.100 0.166 0.000 1.031 108 T CB 1.540 70.526 68.868 0.197 0.000 1.001 108 T HN 0.243 nan 8.240 nan 0.000 0.531 109 S N 1.075 116.817 115.700 0.070 0.000 2.586 109 S HA 0.365 4.835 4.470 -0.001 0.000 0.274 109 S C -1.646 172.970 174.600 0.026 0.000 1.281 109 S CA -1.728 56.488 58.200 0.027 0.000 1.035 109 S CB 0.510 63.725 63.200 0.025 0.000 0.962 109 S HN 0.570 nan 8.310 nan 0.000 0.512 110 P HA -0.010 nan 4.420 nan 0.000 0.219 110 P C 0.549 177.853 177.300 0.006 0.000 1.146 110 P CA 0.995 64.020 63.100 -0.124 0.000 0.808 110 P CB 0.153 31.733 31.700 -0.199 0.000 0.779 111 K N -0.785 119.619 120.400 0.007 0.000 2.487 111 K HA 0.105 4.425 4.320 -0.001 0.000 0.192 111 K C 0.405 177.019 176.600 0.023 0.000 1.027 111 K CA -0.009 56.285 56.287 0.012 0.000 1.054 111 K CB -0.674 31.827 32.500 0.001 0.000 0.824 111 K HN -0.066 nan 8.250 nan 0.000 0.510 112 S N 0.815 116.549 115.700 0.055 0.000 2.931 112 S HA -0.107 4.362 4.470 -0.001 0.000 0.342 112 S C 1.179 175.767 174.600 -0.020 0.000 1.220 112 S CA 0.315 58.542 58.200 0.046 0.000 1.045 112 S CB 0.111 63.362 63.200 0.084 0.000 0.758 112 S HN 0.469 nan 8.310 nan 0.000 0.508 113 S N 4.298 119.993 115.700 -0.008 0.000 2.555 113 S HA 0.050 4.520 4.470 -0.001 0.000 0.230 113 S C 1.768 176.207 174.600 -0.269 0.000 0.978 113 S CA 0.384 58.522 58.200 -0.103 0.000 0.934 113 S CB -0.260 62.968 63.200 0.046 0.000 0.766 113 S HN 0.923 nan 8.310 nan 0.000 0.533 114 A N 1.003 123.760 122.820 -0.105 0.000 2.067 114 A HA 0.434 4.754 4.320 -0.001 0.000 0.217 114 A C 0.855 178.361 177.584 -0.130 0.000 1.156 114 A CA 0.363 52.353 52.037 -0.078 0.000 0.683 114 A CB -0.240 18.773 19.000 0.022 0.000 0.808 114 A HN 0.560 nan 8.150 nan 0.000 0.455 115 L N -0.773 120.320 121.223 -0.218 0.000 2.354 115 L HA 0.479 4.818 4.340 -0.001 0.000 0.269 115 L C -0.307 176.256 176.870 -0.512 0.000 1.005 115 L CA -0.518 54.111 54.840 -0.351 0.000 0.819 115 L CB 1.977 43.847 42.059 -0.316 0.000 1.311 115 L HN 0.252 nan 8.230 nan 0.000 0.423 116 Q N 1.550 120.905 119.800 -0.742 0.000 2.325 116 Q HA 0.335 4.675 4.340 -0.001 0.000 0.270 116 Q C -1.940 173.772 176.000 -0.480 0.000 1.020 116 Q CA -0.638 54.796 55.803 -0.615 0.000 0.785 116 Q CB 1.656 29.989 28.738 -0.674 0.000 1.259 116 Q HN 0.493 nan 8.270 nan 0.000 0.452 117 W N 5.036 126.256 121.300 -0.133 0.000 2.335 117 W HA 0.465 5.125 4.660 -0.001 0.000 0.307 117 W C -0.688 175.881 176.519 0.084 0.000 1.117 117 W CA -0.378 56.980 57.345 0.021 0.000 1.228 117 W CB 0.813 30.277 29.460 0.007 0.000 1.240 117 W HN 0.388 nan 8.180 nan 0.000 0.468 118 L N 3.940 125.393 121.223 0.383 0.000 2.341 118 L HA 0.504 4.843 4.340 -0.001 0.000 0.278 118 L C 0.769 177.802 176.870 0.272 0.000 1.005 118 L CA -1.016 53.992 54.840 0.281 0.000 0.818 118 L CB 1.624 43.835 42.059 0.254 0.000 1.259 118 L HN 0.417 nan 8.230 nan 0.000 0.418 119 T N -0.929 113.734 114.554 0.183 0.000 2.813 119 T HA 0.191 4.540 4.350 -0.001 0.000 0.297 119 T C -1.909 172.853 174.700 0.103 0.000 1.036 119 T CA -1.477 60.702 62.100 0.131 0.000 1.044 119 T CB 0.968 69.887 68.868 0.084 0.000 0.993 119 T HN 0.329 nan 8.240 nan 0.000 0.535 120 P HA -0.139 nan 4.420 nan 0.000 0.216 120 P C 1.601 178.923 177.300 0.036 0.000 1.154 120 P CA 1.028 64.150 63.100 0.037 0.000 0.865 120 P CB 0.046 31.739 31.700 -0.011 0.000 0.789 121 E N -0.509 119.710 120.200 0.033 0.000 2.204 121 E HA -0.171 4.178 4.350 -0.001 0.000 0.195 121 E C 1.782 178.406 176.600 0.041 0.000 0.990 121 E CA 1.050 57.468 56.400 0.030 0.000 0.821 121 E CB -0.351 29.364 29.700 0.024 0.000 0.750 121 E HN 0.503 nan 8.360 nan 0.000 0.477 122 Q N 0.332 120.166 119.800 0.056 0.000 2.444 122 Q HA 0.002 4.342 4.340 -0.001 0.000 0.206 122 Q C 0.829 176.850 176.000 0.034 0.000 0.948 122 Q CA 0.431 56.269 55.803 0.060 0.000 0.946 122 Q CB 0.320 29.109 28.738 0.086 0.000 1.027 122 Q HN 0.189 nan 8.270 nan 0.000 0.513 123 T N -4.001 110.573 114.554 0.034 0.000 2.897 123 T HA 0.293 4.642 4.350 -0.001 0.000 0.278 123 T C 1.127 175.838 174.700 0.018 0.000 0.981 123 T CA -0.621 61.485 62.100 0.010 0.000 0.973 123 T CB 1.634 70.547 68.868 0.074 0.000 1.092 123 T HN -0.166 nan 8.240 nan 0.000 0.543 124 S N 0.393 116.103 115.700 0.017 0.000 2.371 124 S HA 0.085 4.555 4.470 -0.001 0.000 0.224 124 S C 2.265 176.890 174.600 0.041 0.000 1.029 124 S CA 1.027 59.243 58.200 0.027 0.000 0.978 124 S CB -0.907 62.310 63.200 0.029 0.000 0.833 124 S HN 0.948 nan 8.310 nan 0.000 0.466 125 G N 0.719 109.557 108.800 0.064 0.000 2.464 125 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.217 125 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.217 125 G C 0.457 175.379 174.900 0.037 0.000 1.138 125 G CA 0.495 45.636 45.100 0.067 0.000 0.793 125 G HN 0.296 nan 8.290 nan 0.000 0.539 126 K N -0.786 119.632 120.400 0.030 0.000 3.500 126 K HA -0.196 4.123 4.320 -0.001 0.000 0.313 126 K C 0.903 177.474 176.600 -0.048 0.000 1.338 126 K CA 1.654 57.942 56.287 0.001 0.000 0.963 126 K CB -1.630 30.869 32.500 -0.001 0.000 1.267 126 K HN 0.606 nan 8.250 nan 0.000 0.448 127 E N -0.445 119.698 120.200 -0.095 0.000 2.465 127 E HA 0.095 4.444 4.350 -0.001 0.000 0.209 127 E C 0.173 176.441 176.600 -0.553 0.000 0.951 127 E CA 0.054 56.270 56.400 -0.308 0.000 0.997 127 E CB 0.467 29.947 29.700 -0.366 0.000 1.025 127 E HN 0.351 nan 8.360 nan 0.000 0.500 128 H N 0.090 119.156 119.070 -0.008 0.000 2.895 128 H HA 0.300 4.855 4.556 -0.001 0.000 0.373 128 H C -2.456 172.837 175.328 -0.060 0.000 1.174 128 H CA -2.073 53.941 56.048 -0.057 0.000 1.144 128 H CB 1.828 31.555 29.762 -0.059 0.000 1.793 128 H HN -0.056 nan 8.280 nan 0.000 0.551 129 P HA 0.185 nan 4.420 nan 0.000 0.289 129 P C -1.090 176.218 177.300 0.013 0.000 1.299 129 P CA -0.211 62.852 63.100 -0.061 0.000 0.766 129 P CB 1.518 33.067 31.700 -0.251 0.000 1.226 130 Y N -1.076 119.296 120.300 0.119 0.000 2.519 130 Y HA 0.544 5.094 4.550 -0.001 0.000 0.336 130 Y C -1.681 174.422 175.900 0.338 0.000 1.089 130 Y CA -1.042 57.190 58.100 0.219 0.000 1.025 130 Y CB 1.582 40.138 38.460 0.160 0.000 1.318 130 Y HN 0.281 nan 8.280 nan 0.000 0.452 131 L N 7.105 128.482 121.223 0.256 0.000 2.408 131 L HA 0.812 5.151 4.340 -0.001 0.000 0.268 131 L C -1.922 174.939 176.870 -0.015 0.000 0.986 131 L CA -0.800 53.966 54.840 -0.124 0.000 0.820 131 L CB 1.464 43.134 42.059 -0.648 0.000 1.303 131 L HN 0.478 nan 8.230 nan 0.000 0.411 132 F N 1.685 121.590 119.950 -0.074 0.000 2.613 132 F HA 0.904 5.430 4.527 -0.001 0.000 0.310 132 F C -0.567 175.242 175.800 0.015 0.000 1.085 132 F CA -0.555 57.441 58.000 -0.007 0.000 0.945 132 F CB 1.277 40.352 39.000 0.125 0.000 1.298 132 F HN 0.607 nan 8.300 nan 0.000 0.455 133 S N 1.464 117.347 115.700 0.305 0.000 2.681 133 S HA 0.746 5.216 4.470 -0.001 0.000 0.299 133 S C -0.955 173.882 174.600 0.394 0.000 1.113 133 S CA -0.557 57.747 58.200 0.174 0.000 1.013 133 S CB 1.855 65.083 63.200 0.047 0.000 1.076 133 S HN 0.939 nan 8.310 nan 0.000 0.534 134 Q N 0.650 120.603 119.800 0.255 0.000 2.709 134 Q HA 0.421 4.761 4.340 -0.001 0.000 0.232 134 Q C -0.677 175.410 176.000 0.145 0.000 0.856 134 Q CA -0.469 55.487 55.803 0.254 0.000 0.788 134 Q CB 0.332 29.302 28.738 0.387 0.000 1.386 134 Q HN 0.783 nan 8.270 nan 0.000 0.453 135 C N 1.990 121.357 119.300 0.111 0.000 2.485 135 C HA 0.144 4.604 4.460 -0.001 0.000 0.277 135 C C 1.062 176.142 174.990 0.150 0.000 1.376 135 C CA 0.123 59.225 59.018 0.142 0.000 1.759 135 C CB -0.219 27.572 27.740 0.085 0.000 1.970 135 C HN 0.768 nan 8.230 nan 0.000 0.509 136 Q N 0.358 120.212 119.800 0.090 0.000 2.337 136 Q HA 0.316 4.656 4.340 -0.001 0.000 0.270 136 Q C 0.901 176.747 176.000 -0.257 0.000 1.002 136 Q CA 0.222 55.952 55.803 -0.122 0.000 0.888 136 Q CB 0.918 29.568 28.738 -0.147 0.000 1.222 136 Q HN 0.506 nan 8.270 nan 0.000 0.400 137 A N 4.840 127.290 122.820 -0.617 0.000 1.878 137 A HA 0.020 4.340 4.320 -0.001 0.000 0.213 137 A C 1.224 178.461 177.584 -0.580 0.000 1.192 137 A CA 1.017 52.349 52.037 -1.175 0.000 0.619 137 A CB -0.018 17.762 19.000 -2.034 0.000 0.837 137 A HN 0.825 nan 8.150 nan 0.000 0.446 138 I N -5.232 115.010 120.570 -0.547 0.000 3.176 138 I HA 0.420 4.590 4.170 -0.001 0.000 0.339 138 I C 0.215 176.111 176.117 -0.368 0.000 1.505 138 I CA -0.335 60.780 61.300 -0.308 0.000 0.969 138 I CB 0.174 38.041 38.000 -0.223 0.000 1.636 138 I HN 0.100 nan 8.210 nan 0.000 0.523 139 H N -0.337 118.711 119.070 -0.035 0.000 2.622 139 H HA 0.161 4.716 4.556 -0.001 0.000 0.269 139 H C 1.918 177.236 175.328 -0.016 0.000 0.977 139 H CA 0.233 56.272 56.048 -0.016 0.000 1.179 139 H CB 0.598 30.355 29.762 -0.009 0.000 1.458 139 H HN 0.669 nan 8.280 nan 0.000 0.531 140 C N 2.357 121.702 119.300 0.074 0.000 2.413 140 C HA -0.153 4.307 4.460 -0.001 0.000 0.277 140 C C 2.988 177.957 174.990 -0.035 0.000 1.265 140 C CA 1.227 60.252 59.018 0.012 0.000 1.752 140 C CB -0.719 27.022 27.740 0.003 0.000 1.998 140 C HN 0.634 nan 8.230 nan 0.000 0.489 141 R N 0.950 121.435 120.500 -0.025 0.000 2.241 141 R HA -0.008 4.332 4.340 -0.001 0.000 0.224 141 R C 1.750 178.024 176.300 -0.044 0.000 1.101 141 R CA 1.654 57.723 56.100 -0.052 0.000 0.995 141 R CB -0.579 29.700 30.300 -0.035 0.000 0.870 141 R HN 0.507 nan 8.270 nan 0.000 0.463 142 A N 0.685 123.507 122.820 0.003 0.000 2.275 142 A HA 0.243 4.563 4.320 -0.001 0.000 0.212 142 A C 1.773 179.363 177.584 0.011 0.000 1.201 142 A CA 0.059 52.113 52.037 0.027 0.000 0.843 142 A CB -0.000 19.053 19.000 0.089 0.000 0.873 142 A HN 0.303 nan 8.150 nan 0.000 0.492 143 I N -0.992 119.557 120.570 -0.035 0.000 2.947 143 I HA 0.186 4.356 4.170 -0.001 0.000 0.263 143 I C 0.072 176.055 176.117 -0.223 0.000 1.130 143 I CA 0.425 61.696 61.300 -0.049 0.000 1.448 143 I CB 0.336 38.301 38.000 -0.057 0.000 1.222 143 I HN 0.357 nan 8.210 nan 0.000 0.453 144 L N -3.004 118.001 121.223 -0.364 0.000 2.518 144 L HA 0.662 5.002 4.340 -0.001 0.000 0.257 144 L C -3.137 173.462 176.870 -0.451 0.000 0.980 144 L CA -2.074 52.325 54.840 -0.735 0.000 0.837 144 L CB 0.657 42.261 42.059 -0.760 0.000 1.410 144 L HN -0.293 nan 8.230 nan 0.000 0.410 145 P HA 0.362 nan 4.420 nan 0.000 0.271 145 P C -0.872 176.314 177.300 -0.191 0.000 1.226 145 P CA -0.253 62.697 63.100 -0.249 0.000 0.765 145 P CB 0.505 32.077 31.700 -0.213 0.000 0.835 146 C N 0.905 120.131 119.300 -0.124 0.000 3.306 146 C HA 0.397 4.856 4.460 -0.001 0.000 0.335 146 C C -0.742 174.222 174.990 -0.044 0.000 1.382 146 C CA -0.971 57.996 59.018 -0.085 0.000 1.254 146 C CB 0.886 28.571 27.740 -0.093 0.000 1.555 146 C HN 0.439 nan 8.230 nan 0.000 0.463 147 Q N 1.149 120.935 119.800 -0.024 0.000 2.431 147 Q HA 0.187 4.527 4.340 -0.001 0.000 0.234 147 Q C -0.609 175.401 176.000 0.017 0.000 1.203 147 Q CA 0.326 56.128 55.803 -0.002 0.000 0.902 147 Q CB 0.278 29.018 28.738 0.003 0.000 1.455 147 Q HN 0.610 nan 8.270 nan 0.000 0.515 148 D N 2.501 122.918 120.400 0.029 0.000 2.608 148 D HA 0.042 4.682 4.640 -0.001 0.000 0.224 148 D C -0.956 175.424 176.300 0.134 0.000 1.123 148 D CA 0.278 54.320 54.000 0.071 0.000 1.030 148 D CB 0.142 40.971 40.800 0.048 0.000 1.093 148 D HN 0.307 nan 8.370 nan 0.000 0.497 149 T N 0.870 115.494 114.554 0.116 0.000 2.993 149 T HA 0.362 4.712 4.350 -0.001 0.000 0.312 149 T C -2.427 172.297 174.700 0.040 0.000 1.115 149 T CA -1.578 60.570 62.100 0.080 0.000 1.027 149 T CB 1.987 70.871 68.868 0.027 0.000 1.116 149 T HN -0.098 nan 8.240 nan 0.000 0.464 150 P HA 0.058 nan 4.420 nan 0.000 0.242 150 P C 1.200 178.453 177.300 -0.079 0.000 1.197 150 P CA 0.319 63.388 63.100 -0.053 0.000 0.765 150 P CB -0.067 31.445 31.700 -0.314 0.000 0.936 151 S N -1.645 114.005 115.700 -0.083 0.000 2.522 151 S HA 0.046 4.516 4.470 -0.001 0.000 0.227 151 S C 0.833 175.418 174.600 -0.025 0.000 0.986 151 S CA 0.059 58.223 58.200 -0.059 0.000 0.929 151 S CB -0.725 62.446 63.200 -0.050 0.000 0.769 151 S HN -0.063 nan 8.310 nan 0.000 0.529 152 V N 1.926 121.834 119.914 -0.009 0.000 2.459 152 V HA 0.489 4.609 4.120 -0.001 0.000 0.295 152 V C -0.389 175.712 176.094 0.011 0.000 1.029 152 V CA -0.776 61.527 62.300 0.004 0.000 0.874 152 V CB 1.788 33.616 31.823 0.008 0.000 0.985 152 V HN 0.250 nan 8.190 nan 0.000 0.438 153 K N 5.509 125.919 120.400 0.017 0.000 2.378 153 K HA 0.831 5.150 4.320 -0.001 0.000 0.252 153 K C -1.294 175.328 176.600 0.036 0.000 0.931 153 K CA -0.672 55.632 56.287 0.029 0.000 0.794 153 K CB 2.581 35.107 32.500 0.043 0.000 1.181 153 K HN 0.651 nan 8.250 nan 0.000 0.425 154 L N -1.400 119.850 121.223 0.046 0.000 2.424 154 L HA 0.633 4.973 4.340 -0.001 0.000 0.258 154 L C -0.063 176.857 176.870 0.083 0.000 0.995 154 L CA -0.967 53.907 54.840 0.057 0.000 0.821 154 L CB 1.831 43.912 42.059 0.036 0.000 1.383 154 L HN 0.607 nan 8.230 nan 0.000 0.410 155 T N -1.341 113.272 114.554 0.098 0.000 2.881 155 T HA 0.730 5.080 4.350 -0.001 0.000 0.278 155 T C -0.657 174.032 174.700 -0.019 0.000 0.982 155 T CA -0.360 61.801 62.100 0.102 0.000 0.989 155 T CB 1.331 70.311 68.868 0.187 0.000 1.058 155 T HN 0.916 nan 8.240 nan 0.000 0.529 156 Y N -1.601 118.600 120.300 -0.164 0.000 2.609 156 Y HA 0.705 5.255 4.550 -0.001 0.000 0.336 156 Y C -0.926 174.951 175.900 -0.039 0.000 1.129 156 Y CA -1.167 56.715 58.100 -0.362 0.000 1.040 156 Y CB 1.050 39.382 38.460 -0.213 0.000 1.310 156 Y HN 1.022 nan 8.280 nan 0.000 0.460 157 T N 0.222 114.946 114.554 0.284 0.000 2.906 157 T HA 0.975 5.325 4.350 -0.001 0.000 0.295 157 T C -0.861 174.176 174.700 0.561 0.000 1.061 157 T CA -0.361 61.975 62.100 0.395 0.000 1.000 157 T CB 1.701 70.798 68.868 0.382 0.000 1.103 157 T HN 1.627 nan 8.240 nan 0.000 0.486 158 A N 1.444 124.571 122.820 0.513 0.000 2.549 158 A HA 0.753 5.073 4.320 -0.001 0.000 0.297 158 A C -1.274 176.558 177.584 0.413 0.000 1.061 158 A CA -0.996 51.295 52.037 0.423 0.000 0.690 158 A CB 1.467 20.699 19.000 0.387 0.000 1.287 158 A HN 0.851 nan 8.150 nan 0.000 0.402 159 E N 0.697 121.062 120.200 0.275 0.000 2.191 159 E HA 0.540 4.890 4.350 -0.001 0.000 0.263 159 E C -1.378 175.341 176.600 0.199 0.000 0.881 159 E CA -0.692 55.845 56.400 0.229 0.000 0.757 159 E CB 2.415 32.216 29.700 0.170 0.000 1.147 159 E HN 0.340 nan 8.360 nan 0.000 0.414 160 V N 2.269 122.343 119.914 0.267 0.000 2.407 160 V HA 0.296 4.415 4.120 -0.001 0.000 0.291 160 V C -0.233 175.989 176.094 0.212 0.000 1.018 160 V CA -0.757 61.680 62.300 0.228 0.000 0.842 160 V CB 1.701 33.693 31.823 0.282 0.000 0.996 160 V HN 0.618 nan 8.190 nan 0.000 0.426 161 S N 4.676 120.456 115.700 0.133 0.000 2.475 161 S HA 0.757 5.227 4.470 -0.001 0.000 0.281 161 S C -0.489 174.201 174.600 0.150 0.000 1.198 161 S CA -0.388 57.886 58.200 0.123 0.000 1.063 161 S CB 0.975 64.217 63.200 0.069 0.000 0.972 161 S HN 1.125 nan 8.310 nan 0.000 0.486 162 V N 2.504 122.537 119.914 0.198 0.000 3.078 162 V HA 0.759 4.879 4.120 -0.001 0.000 0.311 162 V C -3.056 173.167 176.094 0.215 0.000 1.138 162 V CA -2.926 59.516 62.300 0.237 0.000 1.007 162 V CB 1.217 33.208 31.823 0.281 0.000 1.045 162 V HN 0.613 nan 8.190 nan 0.000 0.432 163 P HA 0.087 nan 4.420 nan 0.000 0.261 163 P C 0.564 177.944 177.300 0.133 0.000 1.173 163 P CA 0.245 63.443 63.100 0.164 0.000 0.760 163 P CB 0.333 32.129 31.700 0.159 0.000 0.783 164 K N 4.124 124.582 120.400 0.097 0.000 2.280 164 K HA -0.172 4.147 4.320 -0.001 0.000 0.202 164 K C 1.024 177.667 176.600 0.072 0.000 1.047 164 K CA 1.270 57.607 56.287 0.082 0.000 0.942 164 K CB -0.235 32.293 32.500 0.046 0.000 0.739 164 K HN 0.384 nan 8.250 nan 0.000 0.457 165 E N 1.452 121.670 120.200 0.031 0.000 2.481 165 E HA 0.007 4.357 4.350 -0.001 0.000 0.195 165 E C 0.633 177.163 176.600 -0.116 0.000 1.047 165 E CA 0.194 56.566 56.400 -0.046 0.000 0.867 165 E CB -0.186 29.464 29.700 -0.084 0.000 0.858 165 E HN 0.387 nan 8.360 nan 0.000 0.513 166 L N 0.600 121.804 121.223 -0.032 0.000 2.365 166 L HA 0.483 4.823 4.340 -0.001 0.000 0.267 166 L C -0.174 176.723 176.870 0.046 0.000 1.033 166 L CA -1.273 53.539 54.840 -0.047 0.000 0.802 166 L CB 1.816 43.855 42.059 -0.033 0.000 1.267 166 L HN -0.233 nan 8.230 nan 0.000 0.457 167 V N 0.477 120.320 119.914 -0.118 0.000 2.540 167 V HA 0.629 4.748 4.120 -0.001 0.000 0.302 167 V C -0.046 175.713 176.094 -0.557 0.000 1.035 167 V CA -0.653 61.397 62.300 -0.417 0.000 0.873 167 V CB 1.646 33.326 31.823 -0.239 0.000 0.992 167 V HN 0.841 nan 8.190 nan 0.000 0.428 168 A N 5.812 128.071 122.820 -0.935 0.000 2.301 168 A HA 0.928 5.248 4.320 -0.001 0.000 0.312 168 A C -0.816 176.559 177.584 -0.349 0.000 1.182 168 A CA -0.409 51.353 52.037 -0.458 0.000 0.826 168 A CB 0.637 19.571 19.000 -0.110 0.000 1.134 168 A HN 0.796 nan 8.150 nan 0.000 0.501 169 L N 1.890 122.890 121.223 -0.371 0.000 2.371 169 L HA 0.683 5.023 4.340 -0.001 0.000 0.262 169 L C -0.263 176.269 176.870 -0.563 0.000 1.006 169 L CA -0.371 54.231 54.840 -0.397 0.000 0.818 169 L CB 2.225 43.950 42.059 -0.558 0.000 1.354 169 L HN 0.740 nan 8.230 nan 0.000 0.415 170 M N 0.094 119.286 119.600 -0.680 0.000 2.667 170 M HA 0.290 4.770 4.480 -0.001 0.000 0.286 170 M C -0.093 176.093 176.300 -0.189 0.000 1.270 170 M CA -0.729 54.261 55.300 -0.516 0.000 0.826 170 M CB 2.425 34.516 32.600 -0.848 0.000 1.743 170 M HN 0.555 nan 8.290 nan 0.000 0.460 171 S N 0.428 116.080 115.700 -0.081 0.000 4.175 171 S HA 0.604 5.074 4.470 -0.001 0.000 0.193 171 S C -0.292 174.310 174.600 0.004 0.000 1.373 171 S CA -0.236 57.933 58.200 -0.052 0.000 0.908 171 S CB -1.071 62.069 63.200 -0.100 0.000 1.547 171 S HN 0.733 nan 8.310 nan 0.000 0.440 172 A N 2.015 124.834 122.820 -0.003 0.000 2.540 172 A HA 0.606 4.926 4.320 -0.001 0.000 0.291 172 A C -0.992 176.660 177.584 0.113 0.000 1.083 172 A CA -0.973 51.056 52.037 -0.014 0.000 0.650 172 A CB 0.477 19.410 19.000 -0.111 0.000 1.292 172 A HN 0.382 nan 8.150 nan 0.000 0.435 173 I N 1.423 122.057 120.570 0.107 0.000 2.441 173 I HA 0.227 4.397 4.170 -0.001 0.000 0.287 173 I C 0.817 177.037 176.117 0.171 0.000 1.049 173 I CA 0.013 61.394 61.300 0.135 0.000 1.381 173 I CB 0.491 38.543 38.000 0.087 0.000 1.409 173 I HN 0.629 nan 8.210 nan 0.000 0.523 174 R N 3.844 124.442 120.500 0.163 0.000 2.484 174 R HA -0.001 4.338 4.340 -0.001 0.000 0.293 174 R C -0.123 176.153 176.300 -0.039 0.000 1.023 174 R CA 0.088 56.213 56.100 0.042 0.000 1.037 174 R CB 0.377 30.729 30.300 0.087 0.000 0.951 174 R HN 0.456 nan 8.270 nan 0.000 0.418 175 D N 2.027 122.324 120.400 -0.171 0.000 2.772 175 D HA 0.214 4.854 4.640 -0.001 0.000 0.272 175 D C 0.173 176.400 176.300 -0.121 0.000 1.314 175 D CA 0.417 54.355 54.000 -0.104 0.000 0.835 175 D CB 0.310 41.068 40.800 -0.069 0.000 1.080 175 D HN 0.778 nan 8.370 nan 0.000 0.482 176 G N 0.959 109.690 108.800 -0.115 0.000 2.655 176 G HA2 0.007 3.966 3.960 -0.001 0.000 0.680 176 G HA3 0.007 3.966 3.960 -0.001 0.000 0.680 176 G C -0.814 173.997 174.900 -0.147 0.000 1.302 176 G CA -0.351 44.696 45.100 -0.089 0.000 0.872 176 G HN 0.406 nan 8.290 nan 0.000 0.540 177 E N -1.879 118.224 120.200 -0.163 0.000 2.366 177 E HA 0.788 5.138 4.350 -0.001 0.000 0.278 177 E C -0.443 176.022 176.600 -0.226 0.000 0.923 177 E CA -0.397 55.817 56.400 -0.310 0.000 0.761 177 E CB 2.278 31.690 29.700 -0.479 0.000 1.231 177 E HN 1.521 nan 8.360 nan 0.000 0.443 178 T N -1.094 113.316 114.554 -0.240 0.000 2.868 178 T HA 0.551 4.901 4.350 -0.001 0.000 0.306 178 T C -2.917 171.697 174.700 -0.143 0.000 1.224 178 T CA -2.137 59.875 62.100 -0.147 0.000 1.012 178 T CB 1.297 70.110 68.868 -0.092 0.000 1.221 178 T HN 0.263 nan 8.240 nan 0.000 0.499 179 P HA 0.191 nan 4.420 nan 0.000 0.268 179 P C -0.672 176.599 177.300 -0.048 0.000 1.208 179 P CA -0.072 62.990 63.100 -0.062 0.000 0.777 179 P CB 0.289 31.967 31.700 -0.037 0.000 0.875 180 D N 2.860 123.243 120.400 -0.029 0.000 2.325 180 D HA 0.100 4.740 4.640 -0.001 0.000 0.251 180 D C -1.565 174.732 176.300 -0.006 0.000 1.196 180 D CA -2.105 51.887 54.000 -0.013 0.000 0.866 180 D CB 0.562 41.365 40.800 0.004 0.000 1.101 180 D HN 0.097 nan 8.370 nan 0.000 0.476 181 P HA -0.098 nan 4.420 nan 0.000 0.221 181 P C 0.567 177.868 177.300 0.001 0.000 1.145 181 P CA 1.052 64.150 63.100 -0.003 0.000 0.795 181 P CB 0.365 32.064 31.700 -0.001 0.000 0.775 182 E N -1.534 118.668 120.200 0.004 0.000 2.340 182 E HA 0.007 4.357 4.350 -0.001 0.000 0.194 182 E C 0.214 176.819 176.600 0.007 0.000 0.996 182 E CA 0.438 56.841 56.400 0.005 0.000 0.869 182 E CB 0.175 29.878 29.700 0.005 0.000 0.835 182 E HN 0.143 nan 8.360 nan 0.000 0.493 183 D N -0.170 120.236 120.400 0.010 0.000 2.354 183 D HA 0.064 4.704 4.640 -0.001 0.000 0.230 183 D C -2.324 173.985 176.300 0.016 0.000 1.361 183 D CA -1.807 52.202 54.000 0.015 0.000 0.992 183 D CB 1.523 42.336 40.800 0.021 0.000 1.409 183 D HN -0.217 nan 8.370 nan 0.000 0.573 184 P HA -0.029 nan 4.420 nan 0.000 0.242 184 P C 0.882 178.193 177.300 0.018 0.000 1.197 184 P CA 0.314 63.421 63.100 0.011 0.000 0.765 184 P CB 0.075 31.780 31.700 0.008 0.000 0.936 185 S N -1.460 114.256 115.700 0.027 0.000 2.603 185 S HA 0.116 4.586 4.470 -0.001 0.000 0.220 185 S C 0.854 175.484 174.600 0.049 0.000 0.967 185 S CA -0.347 57.876 58.200 0.038 0.000 0.920 185 S CB -0.370 62.856 63.200 0.043 0.000 0.773 185 S HN 0.092 nan 8.310 nan 0.000 0.529 186 R N 0.097 120.622 120.500 0.041 0.000 2.854 186 R HA 0.617 4.957 4.340 -0.001 0.000 0.271 186 R C -1.084 175.229 176.300 0.022 0.000 0.994 186 R CA -0.792 55.340 56.100 0.053 0.000 0.945 186 R CB 1.603 31.939 30.300 0.060 0.000 1.194 186 R HN 0.100 nan 8.270 nan 0.000 0.476 187 K N 1.334 121.750 120.400 0.027 0.000 2.267 187 K HA 0.521 4.841 4.320 -0.001 0.000 0.246 187 K C -0.720 175.842 176.600 -0.064 0.000 0.954 187 K CA -0.638 55.599 56.287 -0.083 0.000 0.824 187 K CB 1.919 34.298 32.500 -0.202 0.000 1.167 187 K HN 0.377 nan 8.250 nan 0.000 0.431 188 I N 3.051 123.530 120.570 -0.152 0.000 2.339 188 I HA 0.249 4.419 4.170 -0.001 0.000 0.290 188 I C -0.989 175.002 176.117 -0.209 0.000 0.994 188 I CA -0.744 60.514 61.300 -0.071 0.000 1.191 188 I CB 0.665 38.647 38.000 -0.031 0.000 1.343 188 I HN 0.429 nan 8.210 nan 0.000 0.458 189 Y N 5.526 125.830 120.300 0.006 0.000 2.342 189 Y HA 0.445 4.995 4.550 -0.001 0.000 0.334 189 Y C 0.061 175.789 175.900 -0.286 0.000 1.067 189 Y CA -0.509 57.504 58.100 -0.144 0.000 1.128 189 Y CB 1.495 39.948 38.460 -0.012 0.000 1.200 189 Y HN 0.400 nan 8.280 nan 0.000 0.464 190 K N 3.215 123.360 120.400 -0.425 0.000 2.203 190 K HA 0.710 5.029 4.320 -0.001 0.000 0.251 190 K C -1.687 174.453 176.600 -0.766 0.000 0.944 190 K CA -0.662 55.414 56.287 -0.351 0.000 0.829 190 K CB 1.560 33.975 32.500 -0.143 0.000 1.125 190 K HN 0.406 nan 8.250 nan 0.000 0.430 191 F N 1.502 121.520 119.950 0.113 0.000 2.608 191 F HA 0.509 5.035 4.527 -0.001 0.000 0.309 191 F C -0.738 175.075 175.800 0.021 0.000 1.103 191 F CA -0.910 57.133 58.000 0.071 0.000 0.954 191 F CB 1.484 40.548 39.000 0.108 0.000 1.267 191 F HN 0.302 nan 8.300 nan 0.000 0.444 192 I N 2.444 123.082 120.570 0.113 0.000 2.534 192 I HA 0.505 4.675 4.170 -0.001 0.000 0.288 192 I C -1.604 174.421 176.117 -0.154 0.000 1.077 192 I CA -0.537 60.752 61.300 -0.018 0.000 1.051 192 I CB 1.661 39.669 38.000 0.013 0.000 1.234 192 I HN 0.635 nan 8.210 nan 0.000 0.425 193 Q N 6.992 126.573 119.800 -0.366 0.000 2.413 193 Q HA 0.304 4.644 4.340 -0.001 0.000 0.258 193 Q C -0.137 175.770 176.000 -0.155 0.000 1.037 193 Q CA -0.481 55.113 55.803 -0.349 0.000 0.764 193 Q CB 1.277 29.556 28.738 -0.765 0.000 1.217 193 Q HN 0.738 nan 8.270 nan 0.000 0.490 194 K N 1.632 121.988 120.400 -0.074 0.000 2.404 194 K HA 0.191 4.511 4.320 -0.001 0.000 0.194 194 K C -0.369 176.181 176.600 -0.084 0.000 1.023 194 K CA 0.027 56.281 56.287 -0.055 0.000 1.094 194 K CB 0.558 33.021 32.500 -0.062 0.000 0.841 194 K HN 0.291 nan 8.250 nan 0.000 0.523 195 V N 3.818 123.686 119.914 -0.078 0.000 2.407 195 V HA 0.246 4.366 4.120 -0.001 0.000 0.278 195 V C -2.372 173.735 176.094 0.023 0.000 1.037 195 V CA -2.384 59.840 62.300 -0.127 0.000 0.900 195 V CB 1.088 32.668 31.823 -0.405 0.000 0.983 195 V HN 0.140 nan 8.190 nan 0.000 0.459 196 P HA 0.237 nan 4.420 nan 0.000 0.264 196 P C -0.604 176.785 177.300 0.147 0.000 1.193 196 P CA 0.344 63.487 63.100 0.072 0.000 0.763 196 P CB 0.255 31.977 31.700 0.037 0.000 0.810 197 I N 0.651 121.294 120.570 0.122 0.000 2.865 197 I HA 0.693 4.863 4.170 -0.001 0.000 0.302 197 I C -2.824 173.291 176.117 -0.003 0.000 1.140 197 I CA -3.419 57.933 61.300 0.086 0.000 1.021 197 I CB 2.713 40.762 38.000 0.082 0.000 1.233 197 I HN 0.066 nan 8.210 nan 0.000 0.427 198 P HA 0.053 nan 4.420 nan 0.000 0.272 198 P C 0.839 178.052 177.300 -0.146 0.000 1.223 198 P CA -0.296 62.747 63.100 -0.094 0.000 0.784 198 P CB 1.194 32.838 31.700 -0.093 0.000 0.923 199 C N 0.947 120.233 119.300 -0.024 0.000 2.437 199 C HA -0.100 4.360 4.460 -0.001 0.000 0.283 199 C C 2.606 177.587 174.990 -0.016 0.000 1.424 199 C CA 0.300 59.294 59.018 -0.040 0.000 1.782 199 C CB -2.616 25.114 27.740 -0.017 0.000 1.833 199 C HN 0.639 nan 8.230 nan 0.000 0.532 200 Y N 1.033 121.370 120.300 0.061 0.000 2.483 200 Y HA 0.186 4.736 4.550 -0.001 0.000 0.291 200 Y C 1.798 177.694 175.900 -0.007 0.000 1.143 200 Y CA 0.725 58.867 58.100 0.070 0.000 1.289 200 Y CB -0.871 37.724 38.460 0.224 0.000 0.983 200 Y HN 0.277 nan 8.280 nan 0.000 0.556 201 L N 0.868 121.839 121.223 -0.420 0.000 2.592 201 L HA 0.209 4.549 4.340 -0.001 0.000 0.227 201 L C 0.335 177.079 176.870 -0.210 0.000 1.127 201 L CA -0.160 54.461 54.840 -0.365 0.000 0.884 201 L CB -0.110 41.661 42.059 -0.479 0.000 1.065 201 L HN 0.162 nan 8.230 nan 0.000 0.457 202 I N 1.091 121.549 120.570 -0.185 0.000 2.533 202 I HA 0.166 4.336 4.170 -0.001 0.000 0.284 202 I C 0.458 176.452 176.117 -0.205 0.000 1.109 202 I CA 0.211 61.366 61.300 -0.243 0.000 1.412 202 I CB 0.677 38.453 38.000 -0.373 0.000 1.396 202 I HN 0.040 nan 8.210 nan 0.000 0.543 203 A N 7.083 129.783 122.820 -0.201 0.000 2.515 203 A HA 0.878 5.198 4.320 -0.001 0.000 0.298 203 A C -1.579 175.937 177.584 -0.114 0.000 1.059 203 A CA -0.500 51.431 52.037 -0.176 0.000 0.698 203 A CB 1.849 20.611 19.000 -0.397 0.000 1.289 203 A HN 0.560 nan 8.150 nan 0.000 0.404 204 L N 1.621 122.836 121.223 -0.014 0.000 2.455 204 L HA 0.830 5.169 4.340 -0.001 0.000 0.264 204 L C -1.512 175.358 176.870 0.000 0.000 0.968 204 L CA -0.544 54.244 54.840 -0.087 0.000 0.827 204 L CB 1.991 43.958 42.059 -0.154 0.000 1.317 204 L HN 1.074 nan 8.230 nan 0.000 0.407 205 V N 5.629 125.465 119.914 -0.130 0.000 2.789 205 V HA 0.869 4.989 4.120 -0.001 0.000 0.311 205 V C -1.575 174.320 176.094 -0.331 0.000 1.073 205 V CA -0.330 61.830 62.300 -0.234 0.000 0.921 205 V CB 2.373 33.968 31.823 -0.380 0.000 1.009 205 V HN 0.608 nan 8.190 nan 0.000 0.426 206 V N 5.875 125.575 119.914 -0.357 0.000 2.577 206 V HA 1.028 5.148 4.120 -0.001 0.000 0.303 206 V C 0.392 176.251 176.094 -0.392 0.000 1.042 206 V CA 0.446 62.587 62.300 -0.264 0.000 0.872 206 V CB 1.067 32.891 31.823 0.002 0.000 0.998 206 V HN 1.369 nan 8.190 nan 0.000 0.423 207 G N 2.639 111.201 108.800 -0.397 0.000 2.430 207 G HA2 0.611 4.571 3.960 -0.001 0.000 0.300 207 G HA3 0.611 4.571 3.960 -0.001 0.000 0.300 207 G C -1.013 173.785 174.900 -0.171 0.000 1.330 207 G CA -0.097 44.785 45.100 -0.363 0.000 0.813 207 G HN 1.069 nan 8.290 nan 0.000 0.487 208 A N 0.473 123.269 122.820 -0.039 0.000 2.915 208 A HA 0.636 4.956 4.320 -0.001 0.000 0.292 208 A C 0.109 177.734 177.584 0.068 0.000 1.632 208 A CA -0.006 52.013 52.037 -0.031 0.000 1.337 208 A CB -0.966 18.030 19.000 -0.007 0.000 1.111 208 A HN 0.525 nan 8.150 nan 0.000 0.569 209 L N 1.280 122.543 121.223 0.068 0.000 2.322 209 L HA 0.560 4.900 4.340 -0.001 0.000 0.279 209 L C 0.344 177.361 176.870 0.245 0.000 1.036 209 L CA -0.368 54.583 54.840 0.184 0.000 0.807 209 L CB 1.729 43.904 42.059 0.193 0.000 1.226 209 L HN 0.614 nan 8.230 nan 0.000 0.433 210 E N 0.419 120.748 120.200 0.215 0.000 2.359 210 E HA 0.606 4.956 4.350 -0.001 0.000 0.266 210 E C -1.236 175.297 176.600 -0.110 0.000 0.920 210 E CA -0.611 55.836 56.400 0.080 0.000 0.788 210 E CB 2.486 32.204 29.700 0.030 0.000 1.279 210 E HN 0.628 nan 8.360 nan 0.000 0.438 211 S N 1.008 116.459 115.700 -0.415 0.000 2.548 211 S HA 0.703 5.173 4.470 -0.001 0.000 0.286 211 S C -0.882 173.458 174.600 -0.433 0.000 1.098 211 S CA -0.984 56.732 58.200 -0.806 0.000 0.930 211 S CB 2.023 64.171 63.200 -1.754 0.000 1.070 211 S HN 0.516 nan 8.310 nan 0.000 0.480 212 R N 1.092 121.378 120.500 -0.357 0.000 2.574 212 R HA 0.379 4.718 4.340 -0.001 0.000 0.288 212 R C -1.065 175.143 176.300 -0.155 0.000 1.004 212 R CA -0.450 55.537 56.100 -0.189 0.000 0.895 212 R CB 1.778 32.022 30.300 -0.094 0.000 1.191 212 R HN 0.876 nan 8.270 nan 0.000 0.444 213 Q N 4.170 123.908 119.800 -0.103 0.000 2.313 213 Q HA 0.177 4.517 4.340 -0.001 0.000 0.266 213 Q C 0.475 176.471 176.000 -0.006 0.000 0.989 213 Q CA 0.182 55.956 55.803 -0.048 0.000 0.890 213 Q CB 0.782 29.504 28.738 -0.026 0.000 1.200 213 Q HN 0.778 nan 8.270 nan 0.000 0.396 214 I N 0.095 120.679 120.570 0.023 0.000 4.338 214 I HA 0.604 4.774 4.170 -0.001 0.000 0.329 214 I C 0.381 176.530 176.117 0.054 0.000 1.378 214 I CA -0.285 61.042 61.300 0.046 0.000 1.170 214 I CB 1.012 39.057 38.000 0.075 0.000 1.206 214 I HN 0.529 nan 8.210 nan 0.000 0.432 215 G N 1.439 110.272 108.800 0.056 0.000 2.559 215 G HA2 0.406 4.366 3.960 -0.001 0.000 0.291 215 G HA3 0.406 4.366 3.960 -0.001 0.000 0.291 215 G C -2.783 172.152 174.900 0.059 0.000 1.424 215 G CA -0.434 44.700 45.100 0.058 0.000 0.786 215 G HN -0.240 nan 8.290 nan 0.000 0.485 216 P HA 0.022 nan 4.420 nan 0.000 0.230 216 P C 0.800 178.147 177.300 0.078 0.000 1.158 216 P CA 0.686 63.821 63.100 0.059 0.000 0.769 216 P CB 0.211 31.942 31.700 0.053 0.000 0.807 217 R N -2.177 118.379 120.500 0.093 0.000 2.592 217 R HA 0.367 4.706 4.340 -0.001 0.000 0.439 217 R C -0.707 175.685 176.300 0.154 0.000 0.995 217 R CA -0.322 55.854 56.100 0.127 0.000 1.141 217 R CB -0.225 30.158 30.300 0.140 0.000 1.495 217 R HN -0.217 nan 8.270 nan 0.000 0.579 218 T N 1.665 116.297 114.554 0.130 0.000 2.937 218 T HA 0.408 4.758 4.350 -0.001 0.000 0.297 218 T C -1.298 173.454 174.700 0.087 0.000 0.991 218 T CA -0.557 61.627 62.100 0.140 0.000 0.990 218 T CB 1.834 70.809 68.868 0.178 0.000 0.991 218 T HN -0.049 nan 8.240 nan 0.000 0.440 219 L N 2.992 124.260 121.223 0.075 0.000 2.325 219 L HA 0.660 5.000 4.340 -0.001 0.000 0.278 219 L C 0.027 176.872 176.870 -0.041 0.000 1.023 219 L CA -0.811 53.994 54.840 -0.059 0.000 0.811 219 L CB 1.691 43.635 42.059 -0.192 0.000 1.249 219 L HN 0.460 nan 8.230 nan 0.000 0.431 220 V N 2.984 122.840 119.914 -0.097 0.000 2.481 220 V HA 0.484 4.603 4.120 -0.001 0.000 0.286 220 V C -1.311 174.684 176.094 -0.165 0.000 1.042 220 V CA -0.364 61.935 62.300 -0.002 0.000 0.928 220 V CB 1.184 33.081 31.823 0.124 0.000 0.986 220 V HN 0.730 nan 8.190 nan 0.000 0.462 221 W N 4.974 126.284 121.300 0.017 0.000 2.702 221 W HA 0.782 5.442 4.660 -0.001 0.000 0.331 221 W C 0.071 176.587 176.519 -0.004 0.000 1.049 221 W CA 0.019 57.361 57.345 -0.004 0.000 1.230 221 W CB 2.140 31.572 29.460 -0.046 0.000 1.408 221 W HN 0.836 nan 8.180 nan 0.000 0.492 222 S N -0.198 115.648 115.700 0.243 0.000 2.669 222 S HA 0.374 4.844 4.470 -0.001 0.000 0.266 222 S C -0.963 173.740 174.600 0.171 0.000 1.149 222 S CA -1.317 56.988 58.200 0.174 0.000 0.842 222 S CB 1.230 64.503 63.200 0.122 0.000 1.160 222 S HN 0.472 nan 8.310 nan 0.000 0.487 223 E N 0.838 121.129 120.200 0.152 0.000 2.408 223 E HA 0.153 4.503 4.350 -0.001 0.000 0.259 223 E C 0.859 177.516 176.600 0.094 0.000 1.110 223 E CA -0.357 56.125 56.400 0.136 0.000 0.929 223 E CB 0.543 30.319 29.700 0.126 0.000 0.971 223 E HN 0.636 nan 8.360 nan 0.000 0.438 224 K N 1.872 122.322 120.400 0.083 0.000 2.113 224 K HA -0.212 4.108 4.320 -0.001 0.000 0.208 224 K C 1.430 178.057 176.600 0.045 0.000 1.047 224 K CA 1.692 58.014 56.287 0.058 0.000 0.928 224 K CB 0.096 32.629 32.500 0.055 0.000 0.716 224 K HN 0.441 nan 8.250 nan 0.000 0.446 225 E N 0.146 120.374 120.200 0.046 0.000 2.409 225 E HA -0.181 4.168 4.350 -0.001 0.000 0.198 225 E C 1.218 177.836 176.600 0.030 0.000 1.024 225 E CA 0.985 57.405 56.400 0.034 0.000 0.861 225 E CB -0.021 29.697 29.700 0.030 0.000 0.788 225 E HN 0.380 nan 8.360 nan 0.000 0.521 226 Q N 0.042 119.866 119.800 0.041 0.000 2.319 226 Q HA 0.166 4.505 4.340 -0.001 0.000 0.209 226 Q C 1.997 178.026 176.000 0.049 0.000 0.884 226 Q CA 0.056 55.885 55.803 0.044 0.000 0.938 226 Q CB 0.629 29.401 28.738 0.058 0.000 1.098 226 Q HN 0.076 nan 8.270 nan 0.000 0.517 227 V N 0.697 120.637 119.914 0.043 0.000 2.261 227 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 227 V C 2.169 178.280 176.094 0.029 0.000 1.047 227 V CA 2.257 64.578 62.300 0.035 0.000 1.015 227 V CB -0.341 31.489 31.823 0.012 0.000 0.642 227 V HN 0.470 nan 8.190 nan 0.000 0.446 228 E N 0.276 120.487 120.200 0.019 0.000 2.051 228 E HA -0.302 4.047 4.350 -0.001 0.000 0.192 228 E C 2.323 178.937 176.600 0.023 0.000 0.991 228 E CA 1.781 58.191 56.400 0.017 0.000 0.799 228 E CB -0.101 29.600 29.700 0.002 0.000 0.748 228 E HN 0.547 nan 8.360 nan 0.000 0.449 229 K N 0.027 120.430 120.400 0.005 0.000 2.032 229 K HA -0.125 4.195 4.320 -0.001 0.000 0.209 229 K C 2.243 178.820 176.600 -0.037 0.000 1.048 229 K CA 1.769 58.049 56.287 -0.013 0.000 0.927 229 K CB -0.036 32.450 32.500 -0.022 0.000 0.712 229 K HN -0.009 nan 8.250 nan 0.000 0.441 230 S N 0.436 116.122 115.700 -0.023 0.000 2.368 230 S HA -0.128 4.342 4.470 -0.001 0.000 0.225 230 S C 2.014 176.602 174.600 -0.021 0.000 1.030 230 S CA 1.063 59.231 58.200 -0.053 0.000 0.999 230 S CB -0.288 63.031 63.200 0.197 0.000 0.844 230 S HN 0.519 nan 8.310 nan 0.000 0.459 231 A N 0.597 123.451 122.820 0.057 0.000 1.908 231 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 231 A C 1.978 179.595 177.584 0.054 0.000 1.181 231 A CA 1.738 53.822 52.037 0.077 0.000 0.627 231 A CB -0.937 18.100 19.000 0.062 0.000 0.818 231 A HN 0.607 nan 8.150 nan 0.000 0.445 232 Y N 0.154 120.411 120.300 -0.072 0.000 2.184 232 Y HA -0.116 4.433 4.550 -0.001 0.000 0.290 232 Y C 2.368 178.186 175.900 -0.137 0.000 1.129 232 Y CA 2.160 60.215 58.100 -0.074 0.000 1.144 232 Y CB -0.239 38.179 38.460 -0.071 0.000 0.995 232 Y HN 0.387 nan 8.280 nan 0.000 0.513 233 E N -0.074 120.023 120.200 -0.172 0.000 2.118 233 E HA -0.176 4.174 4.350 -0.001 0.000 0.195 233 E C 0.721 177.031 176.600 -0.484 0.000 0.992 233 E CA 1.560 57.686 56.400 -0.457 0.000 0.804 233 E CB -0.345 28.817 29.700 -0.897 0.000 0.741 233 E HN 0.465 nan 8.360 nan 0.000 0.458 234 F N -0.188 119.790 119.950 0.046 0.000 2.750 234 F HA 0.249 4.776 4.527 -0.001 0.000 0.297 234 F C 1.608 177.425 175.800 0.028 0.000 1.138 234 F CA 0.095 58.131 58.000 0.061 0.000 1.346 234 F CB -0.254 38.806 39.000 0.101 0.000 0.965 234 F HN -0.023 nan 8.300 nan 0.000 0.514 235 S N -1.080 114.641 115.700 0.035 0.000 2.515 235 S HA -0.125 4.345 4.470 -0.001 0.000 0.231 235 S C 1.320 175.937 174.600 0.028 0.000 0.987 235 S CA 0.754 58.954 58.200 -0.001 0.000 0.936 235 S CB -0.412 62.708 63.200 -0.134 0.000 0.766 235 S HN 0.518 nan 8.310 nan 0.000 0.528 236 E N 0.904 121.144 120.200 0.066 0.000 2.502 236 E HA 0.041 4.391 4.350 -0.001 0.000 0.194 236 E C 1.442 178.093 176.600 0.086 0.000 1.062 236 E CA 0.521 56.962 56.400 0.068 0.000 0.867 236 E CB -0.220 29.541 29.700 0.101 0.000 0.888 236 E HN 0.520 nan 8.360 nan 0.000 0.510 237 T N 1.267 115.897 114.554 0.127 0.000 2.607 237 T HA -0.258 4.091 4.350 -0.001 0.000 0.267 237 T C 1.813 176.543 174.700 0.051 0.000 1.049 237 T CA 1.840 64.016 62.100 0.127 0.000 1.162 237 T CB -0.198 68.798 68.868 0.213 0.000 0.863 237 T HN 0.189 nan 8.240 nan 0.000 0.424 238 E N 1.417 121.649 120.200 0.053 0.000 2.118 238 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 238 E C 2.318 178.917 176.600 -0.002 0.000 0.992 238 E CA 1.800 58.212 56.400 0.019 0.000 0.804 238 E CB -0.432 29.287 29.700 0.031 0.000 0.741 238 E HN 0.559 nan 8.360 nan 0.000 0.458 239 S N -0.771 114.930 115.700 0.002 0.000 2.428 239 S HA -0.110 4.360 4.470 -0.001 0.000 0.230 239 S C 2.065 176.652 174.600 -0.022 0.000 1.014 239 S CA 1.072 59.263 58.200 -0.014 0.000 0.957 239 S CB -0.305 62.880 63.200 -0.024 0.000 0.784 239 S HN 0.305 nan 8.310 nan 0.000 0.499 240 M N 0.769 120.362 119.600 -0.012 0.000 2.175 240 M HA 0.096 4.575 4.480 -0.001 0.000 0.264 240 M C 2.162 178.440 176.300 -0.037 0.000 1.063 240 M CA 1.219 56.511 55.300 -0.013 0.000 1.119 240 M CB -0.597 32.015 32.600 0.021 0.000 1.377 240 M HN 0.300 nan 8.290 nan 0.000 0.415 241 L N 0.111 121.292 121.223 -0.070 0.000 2.042 241 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 241 L C 2.482 179.350 176.870 -0.004 0.000 1.076 241 L CA 1.466 56.258 54.840 -0.079 0.000 0.749 241 L CB -0.559 41.386 42.059 -0.190 0.000 0.893 241 L HN 0.266 nan 8.230 nan 0.000 0.432 242 K N 0.043 120.436 120.400 -0.013 0.000 2.057 242 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 242 K C 2.056 178.643 176.600 -0.023 0.000 1.049 242 K CA 1.358 57.645 56.287 0.001 0.000 0.931 242 K CB -0.208 32.291 32.500 -0.001 0.000 0.714 242 K HN 0.251 nan 8.250 nan 0.000 0.440 243 I N 0.995 121.541 120.570 -0.041 0.000 2.179 243 I HA -0.271 3.899 4.170 -0.001 0.000 0.242 243 I C 2.519 178.561 176.117 -0.125 0.000 1.088 243 I CA 1.141 62.404 61.300 -0.062 0.000 1.357 243 I CB -0.407 37.565 38.000 -0.046 0.000 1.051 243 I HN 0.129 nan 8.210 nan 0.000 0.409 244 A N 0.441 123.171 122.820 -0.150 0.000 1.940 244 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 244 A C 2.227 179.416 177.584 -0.659 0.000 1.176 244 A CA 1.782 53.593 52.037 -0.377 0.000 0.631 244 A CB -0.608 18.251 19.000 -0.236 0.000 0.814 244 A HN 0.465 nan 8.150 nan 0.000 0.446 245 E N -0.738 119.318 120.200 -0.241 0.000 2.110 245 E HA -0.217 4.133 4.350 -0.001 0.000 0.193 245 E C 1.713 178.238 176.600 -0.126 0.000 0.988 245 E CA 1.183 57.554 56.400 -0.049 0.000 0.804 245 E CB -0.181 29.617 29.700 0.163 0.000 0.745 245 E HN 0.745 nan 8.360 nan 0.000 0.458 246 D N 0.527 120.855 120.400 -0.120 0.000 2.117 246 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 246 D C 1.859 178.069 176.300 -0.150 0.000 0.987 246 D CA 0.948 54.889 54.000 -0.097 0.000 0.829 246 D CB 0.074 40.834 40.800 -0.067 0.000 0.961 246 D HN 0.075 nan 8.370 nan 0.000 0.460 247 L N -1.099 119.985 121.223 -0.232 0.000 2.179 247 L HA 0.214 4.554 4.340 -0.001 0.000 0.208 247 L C 2.349 179.027 176.870 -0.321 0.000 1.096 247 L CA 1.096 55.792 54.840 -0.240 0.000 0.779 247 L CB -0.137 41.787 42.059 -0.224 0.000 0.922 247 L HN 0.156 nan 8.230 nan 0.000 0.443 248 G N -1.180 107.271 108.800 -0.582 0.000 2.850 248 G HA2 0.467 4.427 3.960 -0.001 0.000 0.211 248 G HA3 0.467 4.427 3.960 -0.001 0.000 0.211 248 G C 0.687 175.358 174.900 -0.381 0.000 1.124 248 G CA 0.496 45.136 45.100 -0.766 0.000 0.769 248 G HN 0.495 nan 8.290 nan 0.000 0.535 249 G N -0.238 108.456 108.800 -0.177 0.000 2.566 249 G HA2 0.007 3.967 3.960 -0.001 0.000 0.599 249 G HA3 0.007 3.967 3.960 -0.001 0.000 0.599 249 G C -3.055 172.085 174.900 0.399 0.000 1.292 249 G CA -0.717 44.449 45.100 0.109 0.000 0.922 249 G HN 0.180 nan 8.290 nan 0.000 0.514 250 P HA 0.237 nan 4.420 nan 0.000 0.264 250 P C -0.444 177.108 177.300 0.420 0.000 1.183 250 P CA 0.181 63.469 63.100 0.313 0.000 0.763 250 P CB 0.177 31.963 31.700 0.143 0.000 0.807 251 Y N 4.387 124.867 120.300 0.301 0.000 2.537 251 Y HA 0.161 4.711 4.550 -0.001 0.000 0.339 251 Y C 1.229 177.100 175.900 -0.048 0.000 1.066 251 Y CA 0.037 58.179 58.100 0.070 0.000 1.357 251 Y CB 0.401 38.961 38.460 0.167 0.000 1.175 251 Y HN 0.217 nan 8.280 nan 0.000 0.525 252 V N 2.746 122.237 119.914 -0.705 0.000 3.621 252 V HA 0.062 4.182 4.120 -0.001 0.000 0.285 252 V C 0.576 176.194 176.094 -0.793 0.000 1.346 252 V CA 0.067 61.957 62.300 -0.684 0.000 1.104 252 V CB -0.714 30.681 31.823 -0.713 0.000 0.913 252 V HN 0.838 nan 8.190 nan 0.000 0.432 253 W N 1.339 122.157 121.300 -0.802 0.000 3.290 253 W HA 0.656 5.315 4.660 -0.001 0.000 0.287 253 W C 1.859 178.289 176.519 -0.149 0.000 1.288 253 W CA 0.692 57.742 57.345 -0.493 0.000 1.725 253 W CB 0.123 29.231 29.460 -0.586 0.000 1.103 253 W HN 0.506 nan 8.180 nan 0.000 0.670 254 G N 0.604 109.485 108.800 0.134 0.000 4.163 254 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.300 254 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.300 254 G C 0.211 175.357 174.900 0.410 0.000 1.488 254 G CA 0.417 45.658 45.100 0.236 0.000 1.052 254 G HN 0.201 nan 8.290 nan 0.000 0.687 255 Q N 0.021 120.042 119.800 0.369 0.000 2.260 255 Q HA 0.687 5.027 4.340 -0.001 0.000 0.242 255 Q C -1.122 175.169 176.000 0.484 0.000 0.932 255 Q CA -0.577 55.435 55.803 0.348 0.000 0.891 255 Q CB 0.980 29.864 28.738 0.244 0.000 1.222 255 Q HN 0.699 nan 8.270 nan 0.000 0.453 256 Y N 2.681 123.111 120.300 0.216 0.000 2.749 256 Y HA 0.367 4.917 4.550 -0.001 0.000 0.343 256 Y C -1.369 174.609 175.900 0.129 0.000 1.015 256 Y CA -0.827 57.360 58.100 0.144 0.000 1.270 256 Y CB 0.588 38.996 38.460 -0.087 0.000 1.097 256 Y HN 0.642 nan 8.280 nan 0.000 0.571 257 D N 3.646 123.934 120.400 -0.185 0.000 2.340 257 D HA 0.515 5.155 4.640 -0.001 0.000 0.251 257 D C -0.823 175.343 176.300 -0.222 0.000 1.080 257 D CA -0.065 53.912 54.000 -0.039 0.000 0.971 257 D CB 1.776 42.705 40.800 0.215 0.000 1.137 257 D HN 0.510 nan 8.370 nan 0.000 0.475 258 L N 1.184 122.404 121.223 -0.005 0.000 2.365 258 L HA 0.492 4.831 4.340 -0.001 0.000 0.273 258 L C -1.081 175.845 176.870 0.093 0.000 1.000 258 L CA -1.055 53.758 54.840 -0.046 0.000 0.819 258 L CB 1.916 43.934 42.059 -0.070 0.000 1.284 258 L HN 0.104 nan 8.230 nan 0.000 0.418 259 L N 3.938 125.151 121.223 -0.016 0.000 2.349 259 L HA 0.558 4.897 4.340 -0.001 0.000 0.278 259 L C -0.913 175.849 176.870 -0.181 0.000 0.996 259 L CA -0.330 54.459 54.840 -0.085 0.000 0.825 259 L CB 1.880 43.728 42.059 -0.351 0.000 1.243 259 L HN 0.256 nan 8.230 nan 0.000 0.412 260 V N 6.555 126.431 119.914 -0.063 0.000 2.368 260 V HA 0.330 4.449 4.120 -0.001 0.000 0.266 260 V C 0.608 176.612 176.094 -0.150 0.000 1.045 260 V CA -0.425 61.843 62.300 -0.053 0.000 0.899 260 V CB 0.712 32.611 31.823 0.126 0.000 1.006 260 V HN 0.683 nan 8.190 nan 0.000 0.470 261 L N 6.841 127.871 121.223 -0.322 0.000 2.475 261 L HA 0.404 4.743 4.340 -0.001 0.000 0.253 261 L C -1.938 174.749 176.870 -0.305 0.000 1.198 261 L CA -1.590 52.981 54.840 -0.448 0.000 0.814 261 L CB 0.681 42.224 42.059 -0.858 0.000 1.134 261 L HN 0.415 nan 8.230 nan 0.000 0.478 262 P HA 0.108 nan 4.420 nan 0.000 0.273 262 P C -2.237 175.013 177.300 -0.083 0.000 1.250 262 P CA -1.088 61.861 63.100 -0.251 0.000 0.793 262 P CB -0.075 31.422 31.700 -0.338 0.000 1.011 263 P HA -0.126 nan 4.420 nan 0.000 0.225 263 P C 1.070 178.423 177.300 0.089 0.000 1.148 263 P CA 1.369 64.501 63.100 0.053 0.000 0.779 263 P CB -0.386 31.346 31.700 0.053 0.000 0.780 264 S N -1.881 113.897 115.700 0.131 0.000 2.607 264 S HA -0.030 4.440 4.470 -0.001 0.000 0.224 264 S C 0.555 175.302 174.600 0.246 0.000 0.969 264 S CA -0.469 57.848 58.200 0.195 0.000 0.927 264 S CB -1.340 62.020 63.200 0.266 0.000 0.772 264 S HN -0.023 nan 8.310 nan 0.000 0.533 265 F N 4.346 124.287 119.950 -0.015 0.000 2.593 265 F HA 0.273 4.800 4.527 -0.001 0.000 0.393 265 F C -2.066 173.661 175.800 -0.122 0.000 1.037 265 F CA -2.391 55.533 58.000 -0.126 0.000 1.195 265 F CB 0.669 39.477 39.000 -0.320 0.000 1.034 265 F HN 0.019 nan 8.300 nan 0.000 0.552 266 P HA -0.016 nan 4.420 nan 0.000 0.233 266 P C -1.141 175.438 177.300 -1.201 0.000 1.167 266 P CA 1.336 63.900 63.100 -0.893 0.000 0.770 266 P CB 0.038 31.115 31.700 -1.039 0.000 0.837 267 Y N -2.863 116.763 120.300 -1.124 0.000 2.665 267 Y HA 0.550 5.100 4.550 -0.001 0.000 0.336 267 Y C 2.010 177.625 175.900 -0.475 0.000 1.085 267 Y CA -0.831 56.828 58.100 -0.734 0.000 1.096 267 Y CB 0.207 38.300 38.460 -0.612 0.000 1.301 267 Y HN -0.362 nan 8.280 nan 0.000 0.493 268 G N -0.251 108.520 108.800 -0.047 0.000 2.402 268 G HA2 0.315 4.275 3.960 -0.001 0.000 0.216 268 G HA3 0.315 4.275 3.960 -0.001 0.000 0.216 268 G C 0.371 175.433 174.900 0.269 0.000 1.162 268 G CA 0.936 46.067 45.100 0.050 0.000 0.777 268 G HN 0.938 nan 8.290 nan 0.000 0.539 269 G N -1.792 107.203 108.800 0.327 0.000 2.660 269 G HA2 0.543 4.502 3.960 -0.001 0.000 0.290 269 G HA3 0.543 4.502 3.960 -0.001 0.000 0.290 269 G C -1.797 173.349 174.900 0.409 0.000 1.432 269 G CA -0.637 44.706 45.100 0.405 0.000 0.807 269 G HN 0.395 nan 8.290 nan 0.000 0.485 270 M N 1.245 121.051 119.600 0.344 0.000 2.255 270 M HA 0.352 4.832 4.480 -0.001 0.000 0.275 270 M C -0.266 176.066 176.300 0.054 0.000 1.050 270 M CA -0.823 54.590 55.300 0.188 0.000 0.978 270 M CB 1.959 34.676 32.600 0.197 0.000 1.761 270 M HN 0.542 nan 8.290 nan 0.000 0.479 271 E N 2.564 122.792 120.200 0.047 0.000 2.705 271 E HA 0.073 4.423 4.350 -0.001 0.000 0.272 271 E C -1.114 175.390 176.600 -0.160 0.000 1.528 271 E CA 0.023 56.437 56.400 0.023 0.000 1.750 271 E CB -1.079 28.670 29.700 0.081 0.000 1.439 271 E HN 0.836 nan 8.360 nan 0.000 0.449 272 N N 3.477 122.020 118.700 -0.263 0.000 2.447 272 N HA 0.051 4.791 4.740 -0.001 0.000 0.263 272 N C -2.353 172.961 175.510 -0.326 0.000 1.226 272 N CA -0.944 51.888 53.050 -0.362 0.000 0.906 272 N CB 0.464 38.604 38.487 -0.578 0.000 1.060 272 N HN 0.242 nan 8.380 nan 0.000 0.468 273 P HA -0.036 nan 4.420 nan 0.000 0.268 273 P C 0.136 177.300 177.300 -0.225 0.000 1.204 273 P CA -0.089 62.693 63.100 -0.530 0.000 0.768 273 P CB 0.570 31.795 31.700 -0.791 0.000 0.842 274 C N 0.694 119.930 119.300 -0.107 0.000 5.421 274 C HA -0.202 4.258 4.460 -0.001 0.000 0.284 274 C C 0.495 175.457 174.990 -0.048 0.000 1.996 274 C CA 0.654 59.696 59.018 0.040 0.000 1.808 274 C CB -2.524 25.266 27.740 0.083 0.000 2.619 274 C HN 0.658 nan 8.230 nan 0.000 0.505 275 L N 1.098 122.243 121.223 -0.130 0.000 2.490 275 L HA 0.454 4.793 4.340 -0.001 0.000 0.261 275 L C 0.034 176.854 176.870 -0.083 0.000 1.232 275 L CA 0.405 55.187 54.840 -0.097 0.000 0.892 275 L CB 0.684 42.742 42.059 -0.002 0.000 1.085 275 L HN 0.181 nan 8.230 nan 0.000 0.491 276 T N 3.685 118.110 114.554 -0.215 0.000 2.916 276 T HA 0.327 4.677 4.350 -0.001 0.000 0.303 276 T C -0.218 174.563 174.700 0.136 0.000 1.025 276 T CA 0.585 62.642 62.100 -0.072 0.000 1.142 276 T CB -0.012 68.812 68.868 -0.073 0.000 0.947 276 T HN 0.136 nan 8.240 nan 0.000 0.544 277 F N 3.274 123.107 119.950 -0.196 0.000 2.404 277 F HA 0.554 5.081 4.527 -0.001 0.000 0.339 277 F C 0.490 176.116 175.800 -0.291 0.000 1.105 277 F CA -1.609 56.169 58.000 -0.369 0.000 1.087 277 F CB 0.951 39.591 39.000 -0.601 0.000 1.143 277 F HN 0.272 nan 8.300 nan 0.000 0.491 278 V N -0.590 119.219 119.914 -0.175 0.000 2.962 278 V HA 0.639 4.759 4.120 -0.001 0.000 0.313 278 V C -0.235 175.881 176.094 0.036 0.000 1.099 278 V CA -0.881 61.415 62.300 -0.006 0.000 0.971 278 V CB 1.338 33.084 31.823 -0.128 0.000 1.028 278 V HN 0.744 nan 8.190 nan 0.000 0.430 279 T N 3.518 118.246 114.554 0.289 0.000 2.919 279 T HA 0.365 4.714 4.350 -0.001 0.000 0.302 279 T C -1.077 173.741 174.700 0.196 0.000 1.031 279 T CA -0.735 61.537 62.100 0.287 0.000 1.127 279 T CB 1.161 70.171 68.868 0.237 0.000 0.952 279 T HN 0.847 nan 8.240 nan 0.000 0.540 280 P HA -0.018 nan 4.420 nan 0.000 0.234 280 P C 1.276 178.677 177.300 0.167 0.000 1.167 280 P CA 0.751 63.941 63.100 0.150 0.000 0.763 280 P CB -0.377 31.373 31.700 0.084 0.000 0.835 281 T N -3.063 111.602 114.554 0.186 0.000 3.098 281 T HA -0.009 4.341 4.350 -0.001 0.000 0.266 281 T C 1.699 176.538 174.700 0.230 0.000 1.145 281 T CA 0.424 62.652 62.100 0.214 0.000 1.092 281 T CB -1.098 67.965 68.868 0.325 0.000 0.908 281 T HN 0.084 nan 8.240 nan 0.000 0.526 282 L N -0.041 121.338 121.223 0.260 0.000 2.478 282 L HA 0.272 4.611 4.340 -0.001 0.000 0.223 282 L C 1.052 178.049 176.870 0.212 0.000 1.140 282 L CA 0.372 55.392 54.840 0.299 0.000 0.842 282 L CB -0.400 41.942 42.059 0.471 0.000 0.953 282 L HN 0.311 nan 8.230 nan 0.000 0.452 283 L N 0.743 122.054 121.223 0.147 0.000 2.437 283 L HA 0.145 4.485 4.340 -0.001 0.000 0.243 283 L C 1.666 178.556 176.870 0.033 0.000 1.346 283 L CA -0.422 54.441 54.840 0.038 0.000 1.233 283 L CB 0.066 42.143 42.059 0.030 0.000 1.436 283 L HN 0.084 nan 8.230 nan 0.000 0.416 284 A N 0.741 123.587 122.820 0.044 0.000 2.119 284 A HA 0.200 4.520 4.320 -0.001 0.000 0.217 284 A C 1.954 179.548 177.584 0.017 0.000 1.153 284 A CA 0.978 53.035 52.037 0.034 0.000 0.692 284 A CB -0.186 18.839 19.000 0.042 0.000 0.799 284 A HN 0.781 nan 8.150 nan 0.000 0.458 285 G N -0.177 108.635 108.800 0.021 0.000 2.195 285 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.246 285 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.246 285 G C 0.248 175.209 174.900 0.102 0.000 0.984 285 G CA 0.969 46.080 45.100 0.018 0.000 0.633 285 G HN 0.980 nan 8.290 nan 0.000 0.525 286 D N -0.583 119.886 120.400 0.115 0.000 2.582 286 D HA 0.256 4.896 4.640 -0.001 0.000 0.246 286 D C 0.944 177.310 176.300 0.109 0.000 1.334 286 D CA 0.302 54.388 54.000 0.144 0.000 0.805 286 D CB -0.443 40.385 40.800 0.046 0.000 1.087 286 D HN 0.474 nan 8.370 nan 0.000 0.499 287 K N -0.193 120.262 120.400 0.091 0.000 3.349 287 K HA -0.248 4.072 4.320 -0.001 0.000 0.310 287 K C 1.239 177.912 176.600 0.121 0.000 1.267 287 K CA 1.107 57.437 56.287 0.072 0.000 0.920 287 K CB -2.252 30.264 32.500 0.026 0.000 1.240 287 K HN 0.342 nan 8.250 nan 0.000 0.453 288 S N 0.413 116.160 115.700 0.079 0.000 2.447 288 S HA -0.070 4.400 4.470 -0.001 0.000 0.233 288 S C 1.320 176.059 174.600 0.232 0.000 1.006 288 S CA 0.850 59.090 58.200 0.067 0.000 0.957 288 S CB -0.076 63.029 63.200 -0.158 0.000 0.773 288 S HN 0.422 nan 8.310 nan 0.000 0.507 289 L N 2.443 123.797 121.223 0.218 0.000 2.791 289 L HA 0.291 4.630 4.340 -0.001 0.000 0.239 289 L C 1.931 178.980 176.870 0.298 0.000 1.203 289 L CA 0.247 55.244 54.840 0.262 0.000 1.002 289 L CB -0.172 42.028 42.059 0.235 0.000 1.295 289 L HN 0.431 nan 8.230 nan 0.000 0.504 290 S N -0.688 115.200 115.700 0.314 0.000 2.555 290 S HA -0.127 4.342 4.470 -0.001 0.000 0.230 290 S C 1.712 176.489 174.600 0.295 0.000 0.978 290 S CA 0.597 58.998 58.200 0.336 0.000 0.934 290 S CB -0.449 62.951 63.200 0.333 0.000 0.766 290 S HN 0.655 nan 8.310 nan 0.000 0.533 291 N N 2.036 120.900 118.700 0.274 0.000 2.364 291 N HA -0.101 4.639 4.740 -0.001 0.000 0.183 291 N C 1.460 177.103 175.510 0.220 0.000 1.022 291 N CA 1.238 54.426 53.050 0.230 0.000 0.883 291 N CB -0.749 37.840 38.487 0.169 0.000 0.965 291 N HN 0.417 nan 8.380 nan 0.000 0.438 292 V N 1.645 121.686 119.914 0.211 0.000 2.358 292 V HA -0.166 3.954 4.120 -0.001 0.000 0.246 292 V C 2.573 178.807 176.094 0.234 0.000 1.047 292 V CA 0.959 63.377 62.300 0.196 0.000 1.035 292 V CB -0.374 31.545 31.823 0.160 0.000 0.658 292 V HN 0.196 nan 8.190 nan 0.000 0.452 293 I N 0.882 121.577 120.570 0.208 0.000 2.179 293 I HA -0.214 3.956 4.170 -0.001 0.000 0.242 293 I C 2.779 179.021 176.117 0.208 0.000 1.088 293 I CA 1.954 63.370 61.300 0.194 0.000 1.357 293 I CB -1.832 36.275 38.000 0.179 0.000 1.051 293 I HN 0.305 nan 8.210 nan 0.000 0.409 294 A N 0.241 123.182 122.820 0.201 0.000 1.917 294 A HA -0.309 4.011 4.320 -0.001 0.000 0.219 294 A C 2.333 180.022 177.584 0.175 0.000 1.182 294 A CA 2.346 54.482 52.037 0.166 0.000 0.633 294 A CB -1.226 17.877 19.000 0.172 0.000 0.819 294 A HN 0.603 nan 8.150 nan 0.000 0.448 295 H N -0.525 118.621 119.070 0.126 0.000 2.299 295 H HA -0.092 4.464 4.556 -0.001 0.000 0.302 295 H C 2.046 177.455 175.328 0.135 0.000 1.078 295 H CA 1.811 57.923 56.048 0.107 0.000 1.323 295 H CB 0.071 29.913 29.762 0.133 0.000 1.381 295 H HN 0.380 nan 8.280 nan 0.000 0.498 296 E N 0.684 121.119 120.200 0.391 0.000 2.077 296 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 296 E C 2.560 179.355 176.600 0.325 0.000 0.989 296 E CA 1.112 57.760 56.400 0.414 0.000 0.800 296 E CB -0.387 29.547 29.700 0.390 0.000 0.746 296 E HN 0.608 nan 8.360 nan 0.000 0.452 297 I N 1.255 121.958 120.570 0.222 0.000 2.145 297 I HA -0.330 3.839 4.170 -0.001 0.000 0.244 297 I C 2.323 178.608 176.117 0.280 0.000 1.075 297 I CA 1.362 62.697 61.300 0.059 0.000 1.332 297 I CB -0.319 37.618 38.000 -0.105 0.000 1.033 297 I HN -0.015 nan 8.210 nan 0.000 0.410 298 S N -0.696 115.129 115.700 0.209 0.000 2.383 298 S HA -0.213 4.256 4.470 -0.001 0.000 0.229 298 S C 1.888 176.664 174.600 0.294 0.000 1.030 298 S CA 1.007 59.354 58.200 0.246 0.000 1.002 298 S CB -0.513 62.691 63.200 0.007 0.000 0.829 298 S HN 0.435 nan 8.310 nan 0.000 0.467 299 H N 1.555 120.724 119.070 0.166 0.000 2.489 299 H HA 0.032 4.587 4.556 -0.001 0.000 0.295 299 H C 2.141 177.521 175.328 0.087 0.000 1.082 299 H CA 1.059 57.179 56.048 0.120 0.000 1.295 299 H CB -0.423 29.388 29.762 0.082 0.000 1.380 299 H HN 0.322 nan 8.280 nan 0.000 0.548 300 S N -0.488 115.322 115.700 0.184 0.000 2.465 300 S HA -0.140 4.330 4.470 -0.001 0.000 0.241 300 S C 1.571 176.067 174.600 -0.173 0.000 1.000 300 S CA 0.663 58.771 58.200 -0.153 0.000 0.964 300 S CB 0.007 63.026 63.200 -0.302 0.000 0.763 300 S HN 0.552 nan 8.310 nan 0.000 0.512 301 W N 1.040 122.459 121.300 0.198 0.000 3.330 301 W HA 0.146 4.806 4.660 -0.001 0.000 0.243 301 W C 0.565 177.130 176.519 0.076 0.000 0.954 301 W CA 0.263 57.680 57.345 0.120 0.000 2.074 301 W CB -0.975 28.536 29.460 0.084 0.000 1.096 301 W HN 0.146 nan 8.180 nan 0.000 0.643 302 T N -0.362 114.414 114.554 0.370 0.000 2.875 302 T HA 0.584 4.934 4.350 -0.001 0.000 0.307 302 T C 0.631 175.515 174.700 0.306 0.000 1.013 302 T CA 0.567 62.822 62.100 0.259 0.000 0.970 302 T CB 0.786 69.815 68.868 0.269 0.000 0.986 302 T HN 0.392 nan 8.240 nan 0.000 0.536 303 G N 4.291 113.221 108.800 0.217 0.000 3.435 303 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.197 303 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.197 303 G C 0.957 175.937 174.900 0.133 0.000 1.497 303 G CA -0.146 45.090 45.100 0.226 0.000 1.043 303 G HN 0.527 nan 8.290 nan 0.000 0.466 304 N N 0.596 119.351 118.700 0.093 0.000 2.376 304 N HA 0.287 5.027 4.740 -0.001 0.000 0.177 304 N C 2.113 177.741 175.510 0.197 0.000 1.024 304 N CA 0.951 54.015 53.050 0.025 0.000 0.893 304 N CB 0.091 38.423 38.487 -0.259 0.000 0.980 304 N HN 0.477 nan 8.380 nan 0.000 0.439 305 L N -0.195 121.100 121.223 0.121 0.000 2.265 305 L HA 0.210 4.550 4.340 -0.001 0.000 0.195 305 L C 0.004 176.792 176.870 -0.137 0.000 1.083 305 L CA 0.388 55.181 54.840 -0.078 0.000 0.798 305 L CB 0.264 42.194 42.059 -0.215 0.000 0.989 305 L HN -0.162 nan 8.230 nan 0.000 0.472 306 V N 0.793 120.643 119.914 -0.106 0.000 2.364 306 V HA 0.256 4.376 4.120 -0.001 0.000 0.272 306 V C -0.264 175.788 176.094 -0.071 0.000 1.036 306 V CA -0.209 61.999 62.300 -0.153 0.000 0.880 306 V CB 1.027 32.657 31.823 -0.322 0.000 0.991 306 V HN 0.217 nan 8.190 nan 0.000 0.460 307 T N 4.227 118.739 114.554 -0.071 0.000 2.856 307 T HA 0.355 4.705 4.350 -0.001 0.000 0.283 307 T C -0.092 174.553 174.700 -0.091 0.000 1.008 307 T CA -0.779 61.307 62.100 -0.024 0.000 0.997 307 T CB 1.263 70.140 68.868 0.015 0.000 0.992 307 T HN 0.811 nan 8.240 nan 0.000 0.454 308 N N 1.856 120.499 118.700 -0.095 0.000 2.454 308 N HA 0.027 4.767 4.740 -0.001 0.000 0.260 308 N C 0.727 176.107 175.510 -0.216 0.000 1.218 308 N CA -0.234 52.725 53.050 -0.151 0.000 0.904 308 N CB 0.854 39.279 38.487 -0.103 0.000 1.065 308 N HN 0.627 nan 8.380 nan 0.000 0.462 309 K N 0.398 120.693 120.400 -0.175 0.000 2.103 309 K HA -0.076 4.243 4.320 -0.001 0.000 0.204 309 K C 0.208 176.698 176.600 -0.183 0.000 1.052 309 K CA 1.238 57.428 56.287 -0.161 0.000 0.945 309 K CB 0.037 32.454 32.500 -0.138 0.000 0.722 309 K HN 0.891 nan 8.250 nan 0.000 0.443 310 T N -5.011 109.468 114.554 -0.126 0.000 2.838 310 T HA 0.211 4.561 4.350 -0.001 0.000 0.292 310 T C 0.102 174.653 174.700 -0.248 0.000 1.113 310 T CA -0.919 61.054 62.100 -0.211 0.000 1.008 310 T CB 0.271 69.156 68.868 0.029 0.000 1.259 310 T HN 0.279 nan 8.240 nan 0.000 0.520 311 W N 0.207 121.533 121.300 0.044 0.000 2.699 311 W HA 0.120 4.779 4.660 -0.001 0.000 0.249 311 W C 1.376 177.910 176.519 0.025 0.000 1.280 311 W CA 0.010 57.352 57.345 -0.006 0.000 1.345 311 W CB -0.135 29.252 29.460 -0.123 0.000 1.128 311 W HN 0.694 nan 8.180 nan 0.000 0.642 312 D N -1.197 119.282 120.400 0.132 0.000 2.218 312 D HA -0.138 4.502 4.640 -0.001 0.000 0.204 312 D C 1.342 177.568 176.300 -0.124 0.000 0.976 312 D CA 1.273 55.252 54.000 -0.036 0.000 0.853 312 D CB -0.378 40.301 40.800 -0.202 0.000 0.939 312 D HN 0.350 nan 8.370 nan 0.000 0.481 313 H N -0.829 118.365 119.070 0.207 0.000 2.507 313 H HA 0.057 4.613 4.556 -0.001 0.000 0.294 313 H C 1.177 176.567 175.328 0.103 0.000 1.064 313 H CA -0.380 55.767 56.048 0.166 0.000 1.138 313 H CB -0.196 29.587 29.762 0.035 0.000 1.515 313 H HN 0.068 nan 8.280 nan 0.000 0.547 314 F N 2.424 122.458 119.950 0.140 0.000 2.154 314 F HA -0.275 4.251 4.527 -0.001 0.000 0.301 314 F C 2.405 178.248 175.800 0.072 0.000 1.087 314 F CA 1.324 59.407 58.000 0.139 0.000 1.274 314 F CB -0.338 38.804 39.000 0.235 0.000 1.009 314 F HN 0.384 nan 8.300 nan 0.000 0.485 315 W N 1.004 122.282 121.300 -0.037 0.000 2.331 315 W HA -0.248 4.412 4.660 -0.001 0.000 0.291 315 W C 1.611 178.036 176.519 -0.157 0.000 1.214 315 W CA 1.285 58.522 57.345 -0.180 0.000 1.228 315 W CB -1.527 27.880 29.460 -0.088 0.000 1.135 315 W HN 0.155 nan 8.180 nan 0.000 0.537 316 L N 1.474 122.045 121.223 -1.088 0.000 2.012 316 L HA -0.300 4.040 4.340 -0.001 0.000 0.210 316 L C 2.569 179.277 176.870 -0.270 0.000 1.073 316 L CA 2.071 56.347 54.840 -0.940 0.000 0.748 316 L CB -1.225 40.431 42.059 -0.670 0.000 0.891 316 L HN -0.010 nan 8.230 nan 0.000 0.431 317 N N -0.380 118.184 118.700 -0.227 0.000 2.058 317 N HA -0.169 4.571 4.740 -0.001 0.000 0.191 317 N C 1.855 177.321 175.510 -0.072 0.000 1.037 317 N CA 1.259 54.271 53.050 -0.064 0.000 0.848 317 N CB -0.122 38.338 38.487 -0.045 0.000 1.021 317 N HN 0.284 nan 8.380 nan 0.000 0.422 318 E N -0.372 119.609 120.200 -0.365 0.000 2.086 318 E HA 0.075 4.425 4.350 -0.001 0.000 0.190 318 E C 2.093 178.640 176.600 -0.089 0.000 0.975 318 E CA 0.742 56.911 56.400 -0.385 0.000 0.813 318 E CB -0.717 28.303 29.700 -1.133 0.000 0.768 318 E HN 0.383 nan 8.360 nan 0.000 0.457 319 G N 0.965 109.759 108.800 -0.010 0.000 2.446 319 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 319 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 319 G C 1.284 176.261 174.900 0.129 0.000 1.168 319 G CA 1.218 46.406 45.100 0.147 0.000 0.771 319 G HN 0.327 nan 8.290 nan 0.000 0.551 320 H N -0.303 118.828 119.070 0.103 0.000 2.387 320 H HA 0.026 4.581 4.556 -0.001 0.000 0.299 320 H C 2.894 178.347 175.328 0.208 0.000 1.090 320 H CA 1.700 57.857 56.048 0.181 0.000 1.332 320 H CB -0.017 29.811 29.762 0.111 0.000 1.386 320 H HN 0.297 nan 8.280 nan 0.000 0.516 321 T N -0.363 114.271 114.554 0.134 0.000 2.812 321 T HA -0.095 4.255 4.350 -0.001 0.000 0.264 321 T C 2.268 176.937 174.700 -0.051 0.000 1.042 321 T CA 1.100 63.117 62.100 -0.138 0.000 1.140 321 T CB -0.280 68.150 68.868 -0.729 0.000 0.870 321 T HN 0.088 nan 8.240 nan 0.000 0.445 322 V N 0.627 120.632 119.914 0.151 0.000 2.407 322 V HA -0.170 3.950 4.120 -0.001 0.000 0.248 322 V C 1.999 178.287 176.094 0.323 0.000 1.055 322 V CA 1.538 64.000 62.300 0.270 0.000 1.049 322 V CB -0.728 31.282 31.823 0.313 0.000 0.662 322 V HN 0.497 nan 8.190 nan 0.000 0.455 323 Y N 0.390 120.940 120.300 0.416 0.000 2.097 323 Y HA -0.237 4.312 4.550 -0.001 0.000 0.282 323 Y C 2.263 178.385 175.900 0.369 0.000 1.152 323 Y CA 1.775 60.174 58.100 0.498 0.000 1.136 323 Y CB -0.219 38.462 38.460 0.369 0.000 0.975 323 Y HN 0.117 nan 8.280 nan 0.000 0.498 324 L N 0.121 121.552 121.223 0.346 0.000 2.017 324 L HA -0.233 4.107 4.340 -0.001 0.000 0.208 324 L C 2.590 179.526 176.870 0.110 0.000 1.073 324 L CA 1.867 56.834 54.840 0.212 0.000 0.745 324 L CB -0.724 41.435 42.059 0.167 0.000 0.894 324 L HN 0.349 nan 8.230 nan 0.000 0.432 325 E N 0.629 120.878 120.200 0.082 0.000 2.086 325 E HA -0.315 4.035 4.350 -0.001 0.000 0.205 325 E C 2.282 178.907 176.600 0.041 0.000 1.027 325 E CA 1.842 58.288 56.400 0.076 0.000 0.830 325 E CB -0.027 29.746 29.700 0.121 0.000 0.751 325 E HN 0.398 nan 8.360 nan 0.000 0.456 326 R N -0.961 119.514 120.500 -0.042 0.000 2.148 326 R HA -0.067 4.273 4.340 -0.001 0.000 0.223 326 R C 2.521 178.740 176.300 -0.135 0.000 1.088 326 R CA 0.971 56.982 56.100 -0.149 0.000 0.985 326 R CB -0.224 29.889 30.300 -0.312 0.000 0.880 326 R HN 0.369 nan 8.270 nan 0.000 0.451 327 H N 0.563 119.586 119.070 -0.078 0.000 2.389 327 H HA -0.024 4.532 4.556 -0.001 0.000 0.299 327 H C 2.118 177.448 175.328 0.004 0.000 1.081 327 H CA 1.260 57.278 56.048 -0.050 0.000 1.345 327 H CB 0.053 29.761 29.762 -0.090 0.000 1.393 327 H HN 0.163 nan 8.280 nan 0.000 0.520 328 I N -0.253 120.395 120.570 0.129 0.000 2.179 328 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 328 I C 2.575 178.757 176.117 0.109 0.000 1.088 328 I CA 0.972 62.324 61.300 0.087 0.000 1.357 328 I CB -0.223 37.819 38.000 0.070 0.000 1.051 328 I HN 0.209 nan 8.210 nan 0.000 0.409 329 C N 0.763 120.166 119.300 0.171 0.000 2.450 329 C HA -0.024 4.436 4.460 -0.001 0.000 0.279 329 C C 2.937 178.156 174.990 0.382 0.000 1.335 329 C CA 0.788 60.015 59.018 0.347 0.000 1.749 329 C CB -1.668 26.308 27.740 0.392 0.000 1.963 329 C HN 0.667 nan 8.230 nan 0.000 0.501 330 G N 0.422 109.363 108.800 0.235 0.000 2.422 330 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.218 330 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.218 330 G C 1.842 176.846 174.900 0.175 0.000 1.146 330 G CA 0.388 45.627 45.100 0.231 0.000 0.769 330 G HN 0.446 nan 8.290 nan 0.000 0.547 331 R N -0.041 120.528 120.500 0.115 0.000 2.075 331 R HA 0.113 4.453 4.340 -0.001 0.000 0.232 331 R C 2.661 178.925 176.300 -0.060 0.000 1.126 331 R CA 0.554 56.678 56.100 0.040 0.000 0.963 331 R CB -0.882 29.430 30.300 0.019 0.000 0.858 331 R HN 0.377 nan 8.270 nan 0.000 0.435 332 L N -0.615 120.504 121.223 -0.174 0.000 2.046 332 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 332 L C 1.318 177.789 176.870 -0.665 0.000 1.077 332 L CA 1.480 55.983 54.840 -0.561 0.000 0.747 332 L CB -0.150 41.326 42.059 -0.971 0.000 0.896 332 L HN 0.096 nan 8.230 nan 0.000 0.432 333 F N -1.180 118.812 119.950 0.070 0.000 2.746 333 F HA 0.478 5.005 4.527 -0.001 0.000 0.320 333 F C 0.843 176.677 175.800 0.058 0.000 1.097 333 F CA -0.004 57.988 58.000 -0.013 0.000 1.195 333 F CB 0.507 39.360 39.000 -0.245 0.000 1.056 333 F HN -0.002 nan 8.300 nan 0.000 0.562 334 G N 0.979 109.928 108.800 0.249 0.000 2.576 334 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.686 334 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.686 334 G C 0.067 175.124 174.900 0.262 0.000 1.242 334 G CA -0.372 44.857 45.100 0.215 0.000 0.819 334 G HN 0.067 nan 8.290 nan 0.000 0.655 335 E N 0.422 120.745 120.200 0.205 0.000 2.110 335 E HA -0.067 4.283 4.350 -0.001 0.000 0.193 335 E C 2.283 179.038 176.600 0.259 0.000 0.988 335 E CA 2.175 58.713 56.400 0.230 0.000 0.804 335 E CB -0.102 29.705 29.700 0.178 0.000 0.745 335 E HN 0.605 nan 8.360 nan 0.000 0.458 336 K N -0.862 119.659 120.400 0.200 0.000 2.147 336 K HA -0.139 4.180 4.320 -0.001 0.000 0.205 336 K C 1.918 178.716 176.600 0.329 0.000 1.049 336 K CA 1.223 57.635 56.287 0.208 0.000 0.936 336 K CB -0.293 32.298 32.500 0.152 0.000 0.722 336 K HN 0.171 nan 8.250 nan 0.000 0.446 337 F N 1.863 121.906 119.950 0.156 0.000 2.163 337 F HA -0.070 4.456 4.527 -0.001 0.000 0.297 337 F C 2.393 178.308 175.800 0.191 0.000 1.094 337 F CA 1.105 59.189 58.000 0.141 0.000 1.290 337 F CB -0.140 38.916 39.000 0.093 0.000 1.017 337 F HN -0.153 nan 8.300 nan 0.000 0.483 338 R N -0.682 119.905 120.500 0.145 0.000 2.103 338 R HA -0.209 4.131 4.340 -0.001 0.000 0.242 338 R C 2.423 178.713 176.300 -0.015 0.000 1.142 338 R CA 2.070 58.162 56.100 -0.013 0.000 0.960 338 R CB -0.642 29.683 30.300 0.042 0.000 0.858 338 R HN 0.432 nan 8.270 nan 0.000 0.439 339 H N -1.219 117.898 119.070 0.078 0.000 2.357 339 H HA -0.160 4.395 4.556 -0.001 0.000 0.301 339 H C 1.977 177.393 175.328 0.146 0.000 1.082 339 H CA 1.650 57.800 56.048 0.170 0.000 1.342 339 H CB -0.235 29.686 29.762 0.265 0.000 1.389 339 H HN 0.249 nan 8.280 nan 0.000 0.511 340 F N 2.268 122.271 119.950 0.088 0.000 2.091 340 F HA -0.257 4.270 4.527 -0.001 0.000 0.299 340 F C 1.953 177.651 175.800 -0.170 0.000 1.103 340 F CA 1.910 59.898 58.000 -0.020 0.000 1.228 340 F CB -0.406 38.596 39.000 0.004 0.000 0.984 340 F HN 0.061 nan 8.300 nan 0.000 0.477 341 N N 0.025 118.591 118.700 -0.223 0.000 2.188 341 N HA -0.134 4.605 4.740 -0.001 0.000 0.184 341 N C 1.984 177.250 175.510 -0.407 0.000 1.018 341 N CA 0.968 53.781 53.050 -0.394 0.000 0.858 341 N CB -0.369 37.831 38.487 -0.479 0.000 0.989 341 N HN 0.409 nan 8.380 nan 0.000 0.426 342 A N 0.984 123.588 122.820 -0.360 0.000 1.902 342 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 342 A C 2.106 179.607 177.584 -0.139 0.000 1.181 342 A CA 0.998 52.851 52.037 -0.308 0.000 0.623 342 A CB -0.672 18.155 19.000 -0.287 0.000 0.818 342 A HN 0.245 nan 8.150 nan 0.000 0.443 343 L N 0.197 121.266 121.223 -0.255 0.000 2.056 343 L HA 0.019 4.359 4.340 -0.001 0.000 0.207 343 L C 2.425 179.073 176.870 -0.370 0.000 1.078 343 L CA 2.262 56.750 54.840 -0.587 0.000 0.749 343 L CB -1.249 40.546 42.059 -0.440 0.000 0.901 343 L HN 0.318 nan 8.230 nan 0.000 0.433 344 G N -0.737 107.811 108.800 -0.420 0.000 2.556 344 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.220 344 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.220 344 G C 1.532 176.306 174.900 -0.209 0.000 1.156 344 G CA 0.840 45.725 45.100 -0.357 0.000 0.766 344 G HN 0.614 nan 8.290 nan 0.000 0.583 345 G N -0.363 108.315 108.800 -0.204 0.000 2.418 345 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.217 345 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.217 345 G C 1.605 176.498 174.900 -0.012 0.000 1.158 345 G CA 0.917 45.940 45.100 -0.128 0.000 0.771 345 G HN 0.455 nan 8.290 nan 0.000 0.545 346 W N 2.040 123.256 121.300 -0.140 0.000 2.338 346 W HA -0.107 4.553 4.660 -0.001 0.000 0.304 346 W C 2.254 178.711 176.519 -0.104 0.000 1.212 346 W CA 1.728 59.019 57.345 -0.089 0.000 1.264 346 W CB -0.578 28.765 29.460 -0.195 0.000 1.142 346 W HN 0.222 nan 8.180 nan 0.000 0.512 347 G N 0.540 109.350 108.800 0.017 0.000 2.418 347 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.217 347 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.217 347 G C 1.366 176.196 174.900 -0.116 0.000 1.158 347 G CA 1.005 46.077 45.100 -0.046 0.000 0.771 347 G HN 0.202 nan 8.290 nan 0.000 0.545 348 E N 0.017 120.149 120.200 -0.113 0.000 2.110 348 E HA -0.077 4.273 4.350 -0.001 0.000 0.193 348 E C 2.470 178.988 176.600 -0.137 0.000 0.988 348 E CA 0.481 56.816 56.400 -0.107 0.000 0.804 348 E CB -0.364 29.280 29.700 -0.093 0.000 0.745 348 E HN 0.396 nan 8.360 nan 0.000 0.458 349 L N 1.487 122.591 121.223 -0.198 0.000 2.056 349 L HA -0.185 4.154 4.340 -0.001 0.000 0.207 349 L C 2.154 178.836 176.870 -0.315 0.000 1.078 349 L CA 1.708 56.388 54.840 -0.267 0.000 0.749 349 L CB -0.456 41.359 42.059 -0.408 0.000 0.901 349 L HN 0.049 nan 8.230 nan 0.000 0.433 350 Q N -0.639 118.934 119.800 -0.378 0.000 2.061 350 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 350 Q C 1.979 177.886 176.000 -0.156 0.000 0.984 350 Q CA 1.789 57.432 55.803 -0.266 0.000 0.846 350 Q CB -0.337 28.293 28.738 -0.181 0.000 0.902 350 Q HN 0.549 nan 8.270 nan 0.000 0.421 351 N N 0.250 118.870 118.700 -0.134 0.000 2.069 351 N HA -0.132 4.608 4.740 -0.001 0.000 0.191 351 N C 1.881 177.324 175.510 -0.112 0.000 1.031 351 N CA 1.548 54.533 53.050 -0.108 0.000 0.852 351 N CB -0.510 37.920 38.487 -0.095 0.000 1.018 351 N HN 0.066 nan 8.380 nan 0.000 0.423 352 S N 0.224 115.864 115.700 -0.101 0.000 2.356 352 S HA -0.058 4.412 4.470 -0.001 0.000 0.223 352 S C 2.232 176.846 174.600 0.024 0.000 1.032 352 S CA 0.849 59.010 58.200 -0.065 0.000 1.005 352 S CB -0.334 62.880 63.200 0.023 0.000 0.867 352 S HN 0.097 nan 8.310 nan 0.000 0.449 353 V N 1.883 121.801 119.914 0.008 0.000 2.343 353 V HA -0.168 3.951 4.120 -0.001 0.000 0.247 353 V C 2.427 178.530 176.094 0.016 0.000 1.051 353 V CA 1.631 63.952 62.300 0.035 0.000 1.036 353 V CB -0.485 31.301 31.823 -0.061 0.000 0.654 353 V HN 0.412 nan 8.190 nan 0.000 0.451 354 K N -0.349 120.026 120.400 -0.042 0.000 2.057 354 K HA -0.174 4.146 4.320 -0.001 0.000 0.207 354 K C 2.226 178.789 176.600 -0.060 0.000 1.049 354 K CA 1.893 58.151 56.287 -0.047 0.000 0.931 354 K CB -0.258 32.205 32.500 -0.062 0.000 0.714 354 K HN 0.498 nan 8.250 nan 0.000 0.440 355 T N 0.610 115.094 114.554 -0.117 0.000 2.708 355 T HA -0.124 4.226 4.350 -0.001 0.000 0.266 355 T C 1.511 176.087 174.700 -0.206 0.000 1.037 355 T CA 1.420 63.398 62.100 -0.204 0.000 1.146 355 T CB -0.256 68.407 68.868 -0.342 0.000 0.865 355 T HN 0.125 nan 8.240 nan 0.000 0.435 356 F N 1.200 121.069 119.950 -0.135 0.000 2.293 356 F HA 0.342 4.868 4.527 -0.001 0.000 0.297 356 F C 1.756 177.477 175.800 -0.132 0.000 1.089 356 F CA 0.582 58.432 58.000 -0.249 0.000 1.377 356 F CB -0.518 38.293 39.000 -0.315 0.000 1.051 356 F HN 0.369 nan 8.300 nan 0.000 0.511 357 G N 0.424 109.300 108.800 0.127 0.000 2.784 357 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.686 357 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.686 357 G C 0.474 175.429 174.900 0.093 0.000 1.156 357 G CA -0.185 44.970 45.100 0.091 0.000 0.757 357 G HN 0.396 nan 8.290 nan 0.000 0.642 358 E N -0.549 119.675 120.200 0.040 0.000 2.478 358 E HA -0.045 4.304 4.350 -0.001 0.000 0.198 358 E C 1.629 178.233 176.600 0.007 0.000 1.046 358 E CA 1.480 57.888 56.400 0.013 0.000 0.870 358 E CB -0.047 29.645 29.700 -0.013 0.000 0.818 358 E HN 0.920 nan 8.360 nan 0.000 0.527 359 T N -2.685 111.880 114.554 0.019 0.000 3.092 359 T HA 0.063 4.413 4.350 -0.001 0.000 0.258 359 T C 0.179 174.868 174.700 -0.019 0.000 1.031 359 T CA -0.478 61.617 62.100 -0.007 0.000 0.925 359 T CB -0.432 68.423 68.868 -0.022 0.000 1.036 359 T HN 0.247 nan 8.240 nan 0.000 0.544 360 H N 3.262 122.280 119.070 -0.086 0.000 2.848 360 H HA 0.219 4.774 4.556 -0.001 0.000 0.341 360 H C -1.320 173.883 175.328 -0.207 0.000 1.060 360 H CA -1.322 54.624 56.048 -0.171 0.000 1.444 360 H CB 1.274 30.939 29.762 -0.163 0.000 1.446 360 H HN -0.069 nan 8.280 nan 0.000 0.583 361 P HA -0.169 nan 4.420 nan 0.000 0.222 361 P C 0.515 177.863 177.300 0.080 0.000 1.147 361 P CA 0.983 63.975 63.100 -0.180 0.000 0.790 361 P CB 0.177 31.720 31.700 -0.262 0.000 0.780 362 F N 0.566 120.504 119.950 -0.019 0.000 2.811 362 F HA 0.058 4.585 4.527 -0.001 0.000 0.301 362 F C 1.945 177.551 175.800 -0.322 0.000 1.151 362 F CA 0.615 58.462 58.000 -0.254 0.000 1.412 362 F CB -1.763 36.826 39.000 -0.685 0.000 1.113 362 F HN 0.050 nan 8.300 nan 0.000 0.579 363 T N -3.296 111.244 114.554 -0.025 0.000 3.069 363 T HA 0.133 4.483 4.350 -0.001 0.000 0.252 363 T C 0.657 175.347 174.700 -0.018 0.000 1.053 363 T CA -0.284 61.802 62.100 -0.024 0.000 0.964 363 T CB -0.150 68.719 68.868 0.002 0.000 1.005 363 T HN -0.024 nan 8.240 nan 0.000 0.532 364 K N 0.720 121.124 120.400 0.007 0.000 2.295 364 K HA 0.316 4.636 4.320 -0.001 0.000 0.270 364 K C 0.760 177.348 176.600 -0.020 0.000 1.011 364 K CA -0.568 55.719 56.287 -0.001 0.000 0.953 364 K CB 1.196 33.726 32.500 0.051 0.000 0.956 364 K HN -0.051 nan 8.250 nan 0.000 0.477 365 L N 3.083 124.243 121.223 -0.106 0.000 1.988 365 L HA -0.065 4.275 4.340 -0.001 0.000 0.207 365 L C 0.311 177.113 176.870 -0.113 0.000 1.071 365 L CA 1.601 56.317 54.840 -0.208 0.000 0.744 365 L CB 0.277 42.038 42.059 -0.497 0.000 0.893 365 L HN 0.335 nan 8.230 nan 0.000 0.433 366 V N 1.811 121.664 119.914 -0.101 0.000 2.385 366 V HA 0.315 4.435 4.120 -0.001 0.000 0.269 366 V C 0.116 176.281 176.094 0.118 0.000 1.043 366 V CA -0.394 61.956 62.300 0.084 0.000 0.906 366 V CB 0.758 32.669 31.823 0.146 0.000 0.995 366 V HN 0.157 nan 8.190 nan 0.000 0.467 367 V N 1.504 121.479 119.914 0.101 0.000 3.093 367 V HA 0.730 4.850 4.120 -0.001 0.000 0.320 367 V C -0.504 175.641 176.094 0.085 0.000 1.093 367 V CA -0.796 61.567 62.300 0.106 0.000 1.016 367 V CB 2.128 34.011 31.823 0.100 0.000 1.096 367 V HN 0.732 nan 8.190 nan 0.000 0.452 368 D N 1.263 121.724 120.400 0.101 0.000 2.441 368 D HA 0.389 5.029 4.640 -0.001 0.000 0.231 368 D C 0.198 176.557 176.300 0.098 0.000 1.073 368 D CA -0.264 53.789 54.000 0.087 0.000 0.850 368 D CB 1.151 41.999 40.800 0.081 0.000 1.062 368 D HN 0.609 nan 8.370 nan 0.000 0.524 369 L N 2.706 123.982 121.223 0.087 0.000 2.629 369 L HA 0.146 4.486 4.340 -0.001 0.000 0.230 369 L C 0.559 177.497 176.870 0.113 0.000 1.151 369 L CA -0.027 54.862 54.840 0.082 0.000 0.924 369 L CB -0.120 41.976 42.059 0.061 0.000 1.137 369 L HN 0.298 nan 8.230 nan 0.000 0.457 370 T N 1.038 115.658 114.554 0.111 0.000 2.831 370 T HA -0.066 4.284 4.350 -0.001 0.000 0.291 370 T C 0.509 175.294 174.700 0.141 0.000 0.981 370 T CA 0.170 62.339 62.100 0.116 0.000 1.174 370 T CB 0.094 69.013 68.868 0.085 0.000 0.929 370 T HN 0.328 nan 8.240 nan 0.000 0.532 371 D N 0.329 120.846 120.400 0.195 0.000 3.059 371 D HA -0.150 4.490 4.640 -0.001 0.000 0.220 371 D C -0.160 176.295 176.300 0.257 0.000 1.169 371 D CA 0.731 54.885 54.000 0.256 0.000 0.902 371 D CB -0.706 40.187 40.800 0.156 0.000 1.116 371 D HN 0.423 nan 8.370 nan 0.000 0.417 372 I N 1.116 121.785 120.570 0.165 0.000 2.378 372 I HA 0.153 4.322 4.170 -0.001 0.000 0.291 372 I C 0.652 176.517 176.117 -0.419 0.000 0.992 372 I CA -0.729 60.552 61.300 -0.031 0.000 1.154 372 I CB 1.668 39.692 38.000 0.041 0.000 1.315 372 I HN -0.218 nan 8.210 nan 0.000 0.448 373 D N 9.008 128.901 120.400 -0.846 0.000 2.382 373 D HA 0.103 4.743 4.640 -0.001 0.000 0.259 373 D C -1.683 174.306 176.300 -0.519 0.000 1.224 373 D CA -1.653 51.692 54.000 -1.092 0.000 0.894 373 D CB 1.565 41.850 40.800 -0.858 0.000 1.127 373 D HN 0.201 nan 8.370 nan 0.000 0.487 374 P HA -0.125 nan 4.420 nan 0.000 0.217 374 P C 0.669 177.775 177.300 -0.324 0.000 1.148 374 P CA 0.823 63.681 63.100 -0.403 0.000 0.828 374 P CB 0.318 31.698 31.700 -0.534 0.000 0.783 375 D N -1.218 119.023 120.400 -0.265 0.000 2.218 375 D HA -0.089 4.550 4.640 -0.001 0.000 0.204 375 D C 1.877 178.139 176.300 -0.063 0.000 0.976 375 D CA 0.904 54.827 54.000 -0.127 0.000 0.853 375 D CB -0.482 40.289 40.800 -0.049 0.000 0.939 375 D HN 0.048 nan 8.370 nan 0.000 0.481 376 V N 0.812 120.655 119.914 -0.119 0.000 2.591 376 V HA -0.062 4.057 4.120 -0.001 0.000 0.249 376 V C 2.352 178.401 176.094 -0.076 0.000 1.053 376 V CA 1.414 63.693 62.300 -0.035 0.000 1.068 376 V CB -0.332 31.482 31.823 -0.015 0.000 0.689 376 V HN 0.158 nan 8.190 nan 0.000 0.462 377 A N -1.257 121.334 122.820 -0.381 0.000 2.016 377 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 377 A C 1.173 178.577 177.584 -0.299 0.000 1.162 377 A CA 0.142 51.663 52.037 -0.861 0.000 0.662 377 A CB -0.507 17.851 19.000 -1.071 0.000 0.812 377 A HN 0.536 nan 8.150 nan 0.000 0.450 378 Y N 2.133 122.318 120.300 -0.192 0.000 2.810 378 Y HA 0.226 4.776 4.550 -0.001 0.000 0.332 378 Y C 0.721 176.709 175.900 0.147 0.000 1.243 378 Y CA 0.687 58.778 58.100 -0.016 0.000 1.537 378 Y CB 0.262 38.713 38.460 -0.014 0.000 1.265 378 Y HN 0.415 nan 8.280 nan 0.000 0.572 379 S N 1.431 116.892 115.700 -0.397 0.000 2.703 379 S HA 0.278 4.748 4.470 -0.001 0.000 0.273 379 S C 0.055 174.530 174.600 -0.209 0.000 1.178 379 S CA -0.377 57.730 58.200 -0.156 0.000 0.838 379 S CB 0.897 64.289 63.200 0.319 0.000 1.178 379 S HN 0.459 nan 8.310 nan 0.000 0.494 380 S N 0.324 115.976 115.700 -0.080 0.000 2.555 380 S HA 0.023 4.493 4.470 -0.001 0.000 0.230 380 S C 1.750 176.441 174.600 0.152 0.000 0.978 380 S CA 0.745 58.932 58.200 -0.021 0.000 0.934 380 S CB -0.537 62.615 63.200 -0.079 0.000 0.766 380 S HN 0.547 nan 8.310 nan 0.000 0.533 381 V N 3.288 123.291 119.914 0.148 0.000 2.255 381 V HA -0.134 3.986 4.120 -0.001 0.000 0.247 381 V C -0.374 175.813 176.094 0.154 0.000 1.051 381 V CA 1.781 64.156 62.300 0.126 0.000 1.018 381 V CB -1.637 30.247 31.823 0.102 0.000 0.641 381 V HN 0.363 nan 8.190 nan 0.000 0.445 382 P HA -0.155 nan 4.420 nan 0.000 0.220 382 P C 1.238 178.596 177.300 0.097 0.000 1.148 382 P CA 1.621 64.812 63.100 0.151 0.000 0.803 382 P CB -0.094 31.693 31.700 0.145 0.000 0.782 383 Y N 0.877 121.223 120.300 0.076 0.000 2.109 383 Y HA -0.121 4.429 4.550 -0.001 0.000 0.285 383 Y C 2.691 178.691 175.900 0.166 0.000 1.131 383 Y CA 1.446 59.609 58.100 0.106 0.000 1.121 383 Y CB -0.828 37.667 38.460 0.058 0.000 0.987 383 Y HN -0.065 nan 8.280 nan 0.000 0.495 384 E N -0.301 120.077 120.200 0.296 0.000 2.216 384 E HA -0.057 4.292 4.350 -0.001 0.000 0.192 384 E C 1.956 178.715 176.600 0.264 0.000 0.973 384 E CA 0.350 56.902 56.400 0.254 0.000 0.851 384 E CB -0.102 29.664 29.700 0.110 0.000 0.804 384 E HN 0.369 nan 8.360 nan 0.000 0.477 385 K N 0.780 121.280 120.400 0.166 0.000 2.103 385 K HA -0.060 4.260 4.320 -0.001 0.000 0.204 385 K C 2.050 178.769 176.600 0.197 0.000 1.052 385 K CA 1.180 57.558 56.287 0.151 0.000 0.945 385 K CB -0.160 32.357 32.500 0.028 0.000 0.722 385 K HN 0.101 nan 8.250 nan 0.000 0.443 386 G N 0.791 109.701 108.800 0.182 0.000 2.421 386 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.216 386 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.216 386 G C 1.320 176.366 174.900 0.243 0.000 1.171 386 G CA 0.636 45.872 45.100 0.227 0.000 0.775 386 G HN 0.378 nan 8.290 nan 0.000 0.543 387 F N 2.506 122.571 119.950 0.191 0.000 2.069 387 F HA -0.036 4.490 4.527 -0.001 0.000 0.298 387 F C 2.854 178.812 175.800 0.264 0.000 1.113 387 F CA 1.654 59.784 58.000 0.217 0.000 1.214 387 F CB -0.392 38.726 39.000 0.198 0.000 0.978 387 F HN 0.239 nan 8.300 nan 0.000 0.474 388 A N 0.525 123.608 122.820 0.438 0.000 1.892 388 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 388 A C 2.135 179.846 177.584 0.211 0.000 1.188 388 A CA 2.012 54.355 52.037 0.509 0.000 0.631 388 A CB -1.431 18.042 19.000 0.788 0.000 0.822 388 A HN 0.550 nan 8.150 nan 0.000 0.447 389 L N -0.229 121.001 121.223 0.013 0.000 2.012 389 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 389 L C 2.296 178.896 176.870 -0.450 0.000 1.073 389 L CA 1.852 56.321 54.840 -0.619 0.000 0.748 389 L CB -0.565 41.189 42.059 -0.509 0.000 0.891 389 L HN 0.430 nan 8.230 nan 0.000 0.431 390 L N -2.034 118.996 121.223 -0.322 0.000 2.056 390 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 390 L C 2.444 178.904 176.870 -0.684 0.000 1.078 390 L CA 1.119 55.667 54.840 -0.487 0.000 0.749 390 L CB -0.750 41.047 42.059 -0.436 0.000 0.901 390 L HN 0.256 nan 8.230 nan 0.000 0.433 391 F N 0.083 119.625 119.950 -0.680 0.000 2.146 391 F HA -0.272 4.254 4.527 -0.001 0.000 0.298 391 F C 2.608 178.147 175.800 -0.434 0.000 1.096 391 F CA 1.253 58.921 58.000 -0.553 0.000 1.275 391 F CB -0.603 37.999 39.000 -0.662 0.000 1.008 391 F HN 0.047 nan 8.300 nan 0.000 0.480 392 Y N 0.569 120.580 120.300 -0.481 0.000 2.128 392 Y HA -0.223 4.327 4.550 -0.001 0.000 0.284 392 Y C 2.065 177.600 175.900 -0.609 0.000 1.154 392 Y CA 1.946 59.729 58.100 -0.528 0.000 1.149 392 Y CB -0.845 37.357 38.460 -0.430 0.000 0.976 392 Y HN 0.104 nan 8.280 nan 0.000 0.505 393 L N 0.470 121.129 121.223 -0.940 0.000 2.042 393 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 393 L C 2.666 178.942 176.870 -0.990 0.000 1.076 393 L CA 2.001 56.233 54.840 -1.014 0.000 0.749 393 L CB -0.809 40.770 42.059 -0.799 0.000 0.893 393 L HN 0.357 nan 8.230 nan 0.000 0.432 394 E N 0.301 119.816 120.200 -1.143 0.000 2.070 394 E HA -0.314 4.035 4.350 -0.001 0.000 0.197 394 E C 2.124 178.462 176.600 -0.438 0.000 1.004 394 E CA 1.823 57.795 56.400 -0.714 0.000 0.805 394 E CB -0.065 29.408 29.700 -0.378 0.000 0.744 394 E HN 0.573 nan 8.360 nan 0.000 0.451 395 Q N -0.171 119.306 119.800 -0.539 0.000 2.167 395 Q HA -0.128 4.212 4.340 -0.001 0.000 0.202 395 Q C 2.319 178.086 176.000 -0.389 0.000 0.970 395 Q CA 0.920 56.463 55.803 -0.433 0.000 0.855 395 Q CB -0.021 28.411 28.738 -0.509 0.000 0.911 395 Q HN 0.271 nan 8.270 nan 0.000 0.438 396 L N 0.104 121.007 121.223 -0.532 0.000 2.109 396 L HA -0.094 4.246 4.340 -0.001 0.000 0.207 396 L C 1.622 178.252 176.870 -0.400 0.000 1.086 396 L CA 1.542 56.078 54.840 -0.506 0.000 0.760 396 L CB 0.050 41.648 42.059 -0.768 0.000 0.910 396 L HN 0.158 nan 8.230 nan 0.000 0.437 397 L N -1.345 119.621 121.223 -0.429 0.000 2.607 397 L HA 0.332 4.671 4.340 -0.001 0.000 0.228 397 L C 1.148 177.915 176.870 -0.171 0.000 1.123 397 L CA 0.560 55.169 54.840 -0.386 0.000 0.890 397 L CB -0.033 41.617 42.059 -0.681 0.000 1.103 397 L HN 0.447 nan 8.230 nan 0.000 0.468 398 G N -0.949 107.772 108.800 -0.132 0.000 2.183 398 G HA2 0.090 4.050 3.960 -0.001 0.000 0.168 398 G HA3 0.090 4.050 3.960 -0.001 0.000 0.168 398 G C 0.413 175.321 174.900 0.013 0.000 1.008 398 G CA -0.369 44.706 45.100 -0.042 0.000 0.677 398 G HN 0.724 nan 8.290 nan 0.000 0.498 399 G N -0.907 107.900 108.800 0.012 0.000 2.440 399 G HA2 0.426 4.386 3.960 -0.001 0.000 0.684 399 G HA3 0.426 4.386 3.960 -0.001 0.000 0.684 399 G C -1.150 173.871 174.900 0.202 0.000 1.309 399 G CA 0.223 45.370 45.100 0.078 0.000 0.931 399 G HN 0.507 nan 8.290 nan 0.000 0.612 400 P HA -0.116 nan 4.420 nan 0.000 0.215 400 P C 1.537 179.024 177.300 0.312 0.000 1.153 400 P CA 2.182 65.522 63.100 0.399 0.000 0.853 400 P CB -0.057 31.909 31.700 0.443 0.000 0.788 401 E N 0.026 120.354 120.200 0.214 0.000 2.150 401 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 401 E C 2.167 178.886 176.600 0.198 0.000 0.985 401 E CA 0.687 57.184 56.400 0.161 0.000 0.814 401 E CB -0.977 28.789 29.700 0.110 0.000 0.752 401 E HN 0.185 nan 8.360 nan 0.000 0.466 402 I N 0.195 120.911 120.570 0.243 0.000 2.179 402 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 402 I C 2.251 178.635 176.117 0.445 0.000 1.088 402 I CA 1.152 62.642 61.300 0.318 0.000 1.357 402 I CB -0.216 37.973 38.000 0.315 0.000 1.051 402 I HN 0.094 nan 8.210 nan 0.000 0.409 403 F N 0.855 120.993 119.950 0.314 0.000 2.325 403 F HA -0.095 4.431 4.527 -0.000 0.000 0.299 403 F C 2.115 178.138 175.800 0.371 0.000 1.090 403 F CA 1.266 59.495 58.000 0.382 0.000 1.392 403 F CB -0.074 39.081 39.000 0.257 0.000 1.053 403 F HN -0.092 nan 8.300 nan 0.000 0.521 404 L N -0.834 120.590 121.223 0.334 0.000 2.201 404 L HA -0.085 4.255 4.340 -0.001 0.000 0.212 404 L C 2.676 179.561 176.870 0.026 0.000 1.105 404 L CA 1.019 55.949 54.840 0.150 0.000 0.775 404 L CB -1.209 40.861 42.059 0.018 0.000 0.913 404 L HN 0.247 nan 8.230 nan 0.000 0.440 405 G N -0.097 108.745 108.800 0.070 0.000 2.418 405 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.217 405 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.217 405 G C 1.460 176.242 174.900 -0.197 0.000 1.158 405 G CA 0.633 45.757 45.100 0.041 0.000 0.771 405 G HN 0.366 nan 8.290 nan 0.000 0.545 406 F N 0.913 120.533 119.950 -0.550 0.000 2.146 406 F HA 0.147 4.673 4.527 -0.001 0.000 0.298 406 F C 2.244 177.723 175.800 -0.535 0.000 1.096 406 F CA 1.036 58.359 58.000 -1.129 0.000 1.275 406 F CB -0.331 38.039 39.000 -1.049 0.000 1.008 406 F HN 0.090 nan 8.300 nan 0.000 0.480 407 L N 0.786 121.650 121.223 -0.600 0.000 2.012 407 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 407 L C 2.677 179.398 176.870 -0.248 0.000 1.073 407 L CA 2.025 56.633 54.840 -0.388 0.000 0.748 407 L CB -0.637 41.430 42.059 0.014 0.000 0.891 407 L HN 0.204 nan 8.230 nan 0.000 0.431 408 K N -0.595 119.680 120.400 -0.208 0.000 2.097 408 K HA -0.180 4.140 4.320 -0.001 0.000 0.205 408 K C 1.949 178.443 176.600 -0.177 0.000 1.050 408 K CA 1.238 57.431 56.287 -0.157 0.000 0.938 408 K CB -0.144 32.286 32.500 -0.116 0.000 0.718 408 K HN 0.433 nan 8.250 nan 0.000 0.442 409 A N 0.388 123.072 122.820 -0.227 0.000 1.930 409 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 409 A C 2.012 179.452 177.584 -0.240 0.000 1.175 409 A CA 1.288 53.244 52.037 -0.136 0.000 0.627 409 A CB -0.824 18.170 19.000 -0.010 0.000 0.815 409 A HN 0.586 nan 8.150 nan 0.000 0.443 410 Y N 0.828 120.839 120.300 -0.482 0.000 2.097 410 Y HA -0.217 4.333 4.550 -0.001 0.000 0.282 410 Y C 2.283 177.941 175.900 -0.404 0.000 1.152 410 Y CA 2.072 59.833 58.100 -0.565 0.000 1.136 410 Y CB -0.589 37.466 38.460 -0.675 0.000 0.975 410 Y HN 0.054 nan 8.280 nan 0.000 0.498 411 V N 0.921 120.610 119.914 -0.374 0.000 2.287 411 V HA -0.332 3.788 4.120 -0.001 0.000 0.248 411 V C 2.261 178.160 176.094 -0.326 0.000 1.053 411 V CA 2.385 64.489 62.300 -0.326 0.000 1.027 411 V CB -0.727 31.061 31.823 -0.058 0.000 0.646 411 V HN 0.453 nan 8.190 nan 0.000 0.447 412 E N -0.064 119.969 120.200 -0.279 0.000 2.038 412 E HA -0.312 4.038 4.350 -0.001 0.000 0.195 412 E C 2.228 178.600 176.600 -0.380 0.000 1.000 412 E CA 1.698 57.946 56.400 -0.253 0.000 0.803 412 E CB -0.214 29.379 29.700 -0.178 0.000 0.750 412 E HN 0.433 nan 8.360 nan 0.000 0.448 413 K N 0.458 120.485 120.400 -0.621 0.000 2.032 413 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 413 K C 1.062 177.106 176.600 -0.927 0.000 1.048 413 K CA 1.475 57.187 56.287 -0.958 0.000 0.927 413 K CB -0.158 31.275 32.500 -1.779 0.000 0.712 413 K HN 0.050 nan 8.250 nan 0.000 0.441 414 F N 0.675 120.315 119.950 -0.517 0.000 2.647 414 F HA 0.372 4.899 4.527 -0.001 0.000 0.300 414 F C 0.159 175.742 175.800 -0.362 0.000 1.106 414 F CA -0.516 57.230 58.000 -0.423 0.000 1.313 414 F CB -0.068 38.626 39.000 -0.511 0.000 1.007 414 F HN -0.260 nan 8.300 nan 0.000 0.536 415 S N 0.272 115.815 115.700 -0.261 0.000 2.546 415 S HA -0.021 4.448 4.470 -0.001 0.000 0.290 415 S C 0.050 174.457 174.600 -0.321 0.000 1.290 415 S CA 0.259 58.200 58.200 -0.432 0.000 1.069 415 S CB -0.427 62.438 63.200 -0.557 0.000 0.846 415 S HN 0.537 nan 8.310 nan 0.000 0.495 416 Y N -0.606 119.644 120.300 -0.083 0.000 4.798 416 Y HA -0.246 4.303 4.550 -0.001 0.000 0.237 416 Y C 0.545 176.417 175.900 -0.046 0.000 1.017 416 Y CA 0.495 58.552 58.100 -0.072 0.000 2.010 416 Y CB -1.644 36.755 38.460 -0.101 0.000 1.582 416 Y HN 0.411 nan 8.280 nan 0.000 0.621 417 K N 0.249 120.666 120.400 0.029 0.000 2.313 417 K HA 0.811 5.130 4.320 -0.001 0.000 0.235 417 K C -0.148 176.430 176.600 -0.036 0.000 1.035 417 K CA -0.885 55.414 56.287 0.021 0.000 0.868 417 K CB 1.984 34.520 32.500 0.060 0.000 1.232 417 K HN -0.081 nan 8.250 nan 0.000 0.459 418 S N 1.026 116.691 115.700 -0.059 0.000 2.519 418 S HA 0.641 5.111 4.470 -0.001 0.000 0.309 418 S C -0.046 174.456 174.600 -0.164 0.000 1.100 418 S CA -0.848 57.289 58.200 -0.105 0.000 1.059 418 S CB 0.565 63.715 63.200 -0.083 0.000 1.008 418 S HN 0.560 nan 8.310 nan 0.000 0.478 419 I N -0.098 120.329 120.570 -0.238 0.000 3.042 419 I HA 0.828 4.998 4.170 -0.001 0.000 0.310 419 I C -0.056 175.866 176.117 -0.324 0.000 1.117 419 I CA -0.877 60.221 61.300 -0.337 0.000 1.003 419 I CB 2.238 39.870 38.000 -0.615 0.000 1.228 419 I HN 0.569 nan 8.210 nan 0.000 0.443 420 T N -1.022 113.317 114.554 -0.360 0.000 2.937 420 T HA 0.348 4.698 4.350 -0.001 0.000 0.283 420 T C 0.870 175.407 174.700 -0.271 0.000 1.012 420 T CA -0.166 61.583 62.100 -0.586 0.000 0.997 420 T CB 1.383 69.918 68.868 -0.556 0.000 1.136 420 T HN 0.687 nan 8.240 nan 0.000 0.551 421 T N 0.864 115.330 114.554 -0.147 0.000 2.759 421 T HA -0.110 4.240 4.350 -0.001 0.000 0.269 421 T C 1.455 176.391 174.700 0.392 0.000 1.042 421 T CA 1.541 63.867 62.100 0.376 0.000 1.140 421 T CB -0.557 68.742 68.868 0.718 0.000 0.864 421 T HN 0.633 nan 8.240 nan 0.000 0.455 422 D N 1.212 121.743 120.400 0.217 0.000 2.117 422 D HA -0.096 4.543 4.640 -0.001 0.000 0.197 422 D C 1.971 178.352 176.300 0.134 0.000 0.987 422 D CA 0.920 55.021 54.000 0.167 0.000 0.829 422 D CB -0.337 40.528 40.800 0.109 0.000 0.961 422 D HN 0.355 nan 8.370 nan 0.000 0.460 423 D N -0.100 120.336 120.400 0.060 0.000 2.104 423 D HA -0.173 4.467 4.640 -0.001 0.000 0.194 423 D C 1.915 178.324 176.300 0.182 0.000 0.994 423 D CA 0.710 54.720 54.000 0.017 0.000 0.830 423 D CB -0.472 40.149 40.800 -0.299 0.000 0.959 423 D HN 0.370 nan 8.370 nan 0.000 0.452 424 W N 2.252 123.579 121.300 0.046 0.000 2.355 424 W HA -0.141 4.519 4.660 -0.001 0.000 0.309 424 W C 2.363 179.095 176.519 0.353 0.000 1.206 424 W CA 1.547 59.053 57.345 0.268 0.000 1.284 424 W CB -0.143 29.428 29.460 0.184 0.000 1.145 424 W HN -0.169 nan 8.180 nan 0.000 0.502 425 K N 0.287 120.819 120.400 0.220 0.000 2.057 425 K HA -0.252 4.068 4.320 -0.001 0.000 0.207 425 K C 2.028 178.569 176.600 -0.098 0.000 1.049 425 K CA 1.915 58.082 56.287 -0.199 0.000 0.931 425 K CB -0.779 31.670 32.500 -0.085 0.000 0.714 425 K HN 0.175 nan 8.250 nan 0.000 0.440 426 D N -0.148 120.281 120.400 0.048 0.000 2.097 426 D HA -0.201 4.439 4.640 -0.001 0.000 0.195 426 D C 1.815 178.241 176.300 0.209 0.000 0.989 426 D CA 1.069 55.129 54.000 0.099 0.000 0.827 426 D CB -0.058 40.826 40.800 0.140 0.000 0.966 426 D HN 0.208 nan 8.370 nan 0.000 0.456 427 F N 1.225 121.286 119.950 0.186 0.000 2.234 427 F HA -0.115 4.411 4.527 -0.001 0.000 0.299 427 F C 2.122 178.056 175.800 0.223 0.000 1.087 427 F CA 0.632 58.782 58.000 0.250 0.000 1.340 427 F CB -0.446 38.820 39.000 0.443 0.000 1.031 427 F HN -0.015 nan 8.300 nan 0.000 0.500 428 L N -0.520 120.682 121.223 -0.034 0.000 2.017 428 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 428 L C 2.071 178.856 176.870 -0.141 0.000 1.073 428 L CA 1.939 56.597 54.840 -0.302 0.000 0.745 428 L CB -1.197 40.425 42.059 -0.729 0.000 0.894 428 L HN 0.162 nan 8.230 nan 0.000 0.432 429 Y N -0.686 119.508 120.300 -0.177 0.000 2.181 429 Y HA -0.257 4.293 4.550 -0.001 0.000 0.288 429 Y C 3.086 178.934 175.900 -0.086 0.000 1.146 429 Y CA 2.004 60.049 58.100 -0.091 0.000 1.164 429 Y CB -0.770 37.628 38.460 -0.102 0.000 0.982 429 Y HN 0.395 nan 8.280 nan 0.000 0.515 430 S N -0.802 114.918 115.700 0.033 0.000 2.353 430 S HA -0.318 4.151 4.470 -0.001 0.000 0.222 430 S C 2.046 176.522 174.600 -0.207 0.000 1.035 430 S CA 1.635 59.798 58.200 -0.062 0.000 1.025 430 S CB -0.846 62.342 63.200 -0.019 0.000 0.902 430 S HN 0.560 nan 8.310 nan 0.000 0.440 431 Y N 0.553 120.518 120.300 -0.558 0.000 2.224 431 Y HA 0.083 4.632 4.550 -0.001 0.000 0.289 431 Y C 0.808 176.346 175.900 -0.603 0.000 1.146 431 Y CA 1.493 59.186 58.100 -0.679 0.000 1.182 431 Y CB -0.189 37.721 38.460 -0.916 0.000 0.983 431 Y HN 0.339 nan 8.280 nan 0.000 0.524 432 F N 1.884 121.723 119.950 -0.186 0.000 2.916 432 F HA 0.202 4.729 4.527 -0.001 0.000 0.294 432 F C 1.639 177.314 175.800 -0.208 0.000 1.189 432 F CA -0.600 57.270 58.000 -0.215 0.000 1.369 432 F CB -0.393 38.481 39.000 -0.211 0.000 0.961 432 F HN 0.037 nan 8.300 nan 0.000 0.508 433 K N -0.836 119.518 120.400 -0.077 0.000 2.089 433 K HA -0.233 4.086 4.320 -0.001 0.000 0.210 433 K C 0.545 177.128 176.600 -0.028 0.000 1.048 433 K CA 2.156 58.417 56.287 -0.043 0.000 0.926 433 K CB -0.332 32.127 32.500 -0.067 0.000 0.714 433 K HN 0.130 nan 8.250 nan 0.000 0.448 434 D N 0.924 121.299 120.400 -0.043 0.000 2.378 434 D HA 0.002 4.642 4.640 -0.001 0.000 0.227 434 D C 0.483 176.773 176.300 -0.016 0.000 1.012 434 D CA 0.825 54.807 54.000 -0.029 0.000 0.905 434 D CB 0.284 41.059 40.800 -0.042 0.000 0.895 434 D HN 0.369 nan 8.370 nan 0.000 0.532 435 K N -0.049 120.344 120.400 -0.012 0.000 2.619 435 K HA 0.107 4.426 4.320 -0.001 0.000 0.201 435 K C 1.155 177.693 176.600 -0.103 0.000 1.090 435 K CA -0.059 56.198 56.287 -0.051 0.000 1.063 435 K CB 1.543 34.012 32.500 -0.052 0.000 0.810 435 K HN -0.158 nan 8.250 nan 0.000 0.506 436 V N 1.175 121.047 119.914 -0.069 0.000 2.407 436 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 436 V C 1.259 177.342 176.094 -0.018 0.000 1.055 436 V CA 2.130 64.385 62.300 -0.073 0.000 1.049 436 V CB 0.018 31.873 31.823 0.055 0.000 0.662 436 V HN 0.332 nan 8.190 nan 0.000 0.455 437 D N -0.231 120.166 120.400 -0.005 0.000 2.117 437 D HA -0.134 4.506 4.640 -0.001 0.000 0.197 437 D C 2.192 178.483 176.300 -0.014 0.000 0.987 437 D CA 1.639 55.647 54.000 0.012 0.000 0.829 437 D CB -0.337 40.465 40.800 0.004 0.000 0.961 437 D HN 0.436 nan 8.370 nan 0.000 0.460 438 V N 1.176 121.047 119.914 -0.071 0.000 2.295 438 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 438 V C 2.674 178.684 176.094 -0.140 0.000 1.049 438 V CA 1.052 63.280 62.300 -0.120 0.000 1.024 438 V CB -0.441 31.275 31.823 -0.179 0.000 0.648 438 V HN 0.200 nan 8.190 nan 0.000 0.447 439 L N 0.076 121.195 121.223 -0.174 0.000 2.079 439 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 439 L C 2.101 179.084 176.870 0.187 0.000 1.081 439 L CA 2.019 56.774 54.840 -0.140 0.000 0.752 439 L CB -0.746 40.970 42.059 -0.571 0.000 0.896 439 L HN 0.470 nan 8.230 nan 0.000 0.433 440 N N -0.850 117.969 118.700 0.199 0.000 2.512 440 N HA -0.152 4.588 4.740 -0.001 0.000 0.183 440 N C 1.626 177.242 175.510 0.177 0.000 1.073 440 N CA 0.290 53.519 53.050 0.298 0.000 0.911 440 N CB 0.078 38.708 38.487 0.238 0.000 0.964 440 N HN 0.443 nan 8.380 nan 0.000 0.447 441 Q N 0.233 120.075 119.800 0.071 0.000 2.311 441 Q HA 0.043 4.383 4.340 -0.001 0.000 0.203 441 Q C 0.135 176.137 176.000 0.004 0.000 0.954 441 Q CA 0.326 56.148 55.803 0.031 0.000 0.885 441 Q CB 0.378 29.113 28.738 -0.006 0.000 0.963 441 Q HN 0.133 nan 8.270 nan 0.000 0.471 442 V N 2.662 122.513 119.914 -0.105 0.000 2.599 442 V HA -0.077 4.042 4.120 -0.001 0.000 0.300 442 V C 0.215 176.153 176.094 -0.260 0.000 1.034 442 V CA 0.116 62.228 62.300 -0.314 0.000 1.115 442 V CB 0.632 31.804 31.823 -1.084 0.000 0.934 442 V HN 0.161 nan 8.190 nan 0.000 0.485 443 D N 4.025 124.403 120.400 -0.036 0.000 2.483 443 D HA 0.095 4.734 4.640 -0.001 0.000 0.220 443 D C 0.618 177.018 176.300 0.165 0.000 1.173 443 D CA -0.134 53.913 54.000 0.078 0.000 0.964 443 D CB 0.130 40.971 40.800 0.069 0.000 1.046 443 D HN 0.562 nan 8.370 nan 0.000 0.517 444 W N 2.312 123.782 121.300 0.283 0.000 2.358 444 W HA -0.143 4.517 4.660 -0.000 0.000 0.303 444 W C 2.246 178.913 176.519 0.246 0.000 1.208 444 W CA 0.641 58.154 57.345 0.279 0.000 1.274 444 W CB -0.296 29.320 29.460 0.259 0.000 1.138 444 W HN 0.376 nan 8.180 nan 0.000 0.515 445 N N 0.420 119.397 118.700 0.462 0.000 2.166 445 N HA -0.161 4.578 4.740 -0.001 0.000 0.186 445 N C 1.676 177.349 175.510 0.271 0.000 1.019 445 N CA 2.041 55.346 53.050 0.425 0.000 0.856 445 N CB -0.425 38.252 38.487 0.317 0.000 0.993 445 N HN 0.042 nan 8.380 nan 0.000 0.426 446 A N -0.378 122.534 122.820 0.154 0.000 1.854 446 A HA -0.054 4.266 4.320 -0.001 0.000 0.214 446 A C 2.024 179.571 177.584 -0.062 0.000 1.192 446 A CA 1.138 53.174 52.037 -0.001 0.000 0.611 446 A CB -1.351 17.582 19.000 -0.112 0.000 0.832 446 A HN 0.550 nan 8.150 nan 0.000 0.442 447 W N 0.145 121.400 121.300 -0.075 0.000 2.335 447 W HA -0.146 4.514 4.660 -0.001 0.000 0.311 447 W C 2.133 178.514 176.519 -0.231 0.000 1.213 447 W CA 1.610 58.865 57.345 -0.150 0.000 1.274 447 W CB -0.312 29.052 29.460 -0.161 0.000 1.148 447 W HN 0.234 nan 8.180 nan 0.000 0.498 448 L N -2.412 118.797 121.223 -0.022 0.000 2.209 448 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 448 L C 1.264 177.777 176.870 -0.595 0.000 1.094 448 L CA 0.925 55.471 54.840 -0.490 0.000 0.790 448 L CB -0.492 41.069 42.059 -0.830 0.000 0.932 448 L HN 0.040 nan 8.230 nan 0.000 0.447 449 Y N -1.768 118.580 120.300 0.079 0.000 2.432 449 Y HA 0.262 4.811 4.550 -0.001 0.000 0.252 449 Y C 1.014 176.924 175.900 0.016 0.000 1.097 449 Y CA -0.701 57.432 58.100 0.054 0.000 1.250 449 Y CB 0.284 38.793 38.460 0.082 0.000 1.245 449 Y HN -0.136 nan 8.280 nan 0.000 0.522 450 S N 3.799 119.553 115.700 0.089 0.000 2.554 450 S HA 0.359 4.828 4.470 -0.001 0.000 0.278 450 S C -2.456 172.126 174.600 -0.030 0.000 1.242 450 S CA -1.281 56.933 58.200 0.024 0.000 1.051 450 S CB 1.134 64.327 63.200 -0.013 0.000 0.986 450 S HN -0.037 nan 8.310 nan 0.000 0.502 451 P HA 0.447 nan 4.420 nan 0.000 0.274 451 P C 0.490 177.748 177.300 -0.070 0.000 1.256 451 P CA 0.196 63.273 63.100 -0.039 0.000 0.795 451 P CB 0.167 31.851 31.700 -0.026 0.000 1.038 452 G N -0.704 108.055 108.800 -0.068 0.000 2.660 452 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.247 452 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.247 452 G C -0.761 174.044 174.900 -0.158 0.000 1.328 452 G CA -0.685 44.360 45.100 -0.092 0.000 0.884 452 G HN 0.554 nan 8.290 nan 0.000 0.531 453 L N 1.531 122.647 121.223 -0.178 0.000 2.483 453 L HA 0.260 4.600 4.340 -0.001 0.000 0.276 453 L C -1.300 175.391 176.870 -0.298 0.000 1.213 453 L CA -1.162 53.523 54.840 -0.258 0.000 0.843 453 L CB 0.103 42.049 42.059 -0.188 0.000 1.107 453 L HN 0.422 nan 8.230 nan 0.000 0.487 454 P HA 0.008 nan 4.420 nan 0.000 0.269 454 P C -1.932 175.002 177.300 -0.610 0.000 1.217 454 P CA -0.894 61.724 63.100 -0.804 0.000 0.783 454 P CB -0.074 30.975 31.700 -1.085 0.000 0.898 455 P HA 0.017 nan 4.420 nan 0.000 0.223 455 P C 0.197 177.310 177.300 -0.310 0.000 1.151 455 P CA 1.548 64.382 63.100 -0.443 0.000 0.787 455 P CB 0.543 31.990 31.700 -0.422 0.000 0.788 456 I N -0.220 120.126 120.570 -0.374 0.000 2.533 456 I HA 0.269 4.438 4.170 -0.001 0.000 0.290 456 I C 0.078 176.134 176.117 -0.102 0.000 1.056 456 I CA -1.114 60.057 61.300 -0.215 0.000 1.057 456 I CB 3.123 40.926 38.000 -0.328 0.000 1.240 456 I HN -0.236 nan 8.210 nan 0.000 0.423 457 K N 7.591 127.902 120.400 -0.148 0.000 2.201 457 K HA 0.498 4.818 4.320 -0.001 0.000 0.278 457 K C -2.445 174.012 176.600 -0.239 0.000 1.027 457 K CA -1.279 54.771 56.287 -0.396 0.000 0.909 457 K CB 1.327 33.413 32.500 -0.689 0.000 1.062 457 K HN 0.190 nan 8.250 nan 0.000 0.465 458 P HA 0.024 nan 4.420 nan 0.000 0.272 458 P C -1.128 175.919 177.300 -0.421 0.000 1.254 458 P CA -0.335 62.572 63.100 -0.322 0.000 0.795 458 P CB 0.421 31.853 31.700 -0.448 0.000 1.022 459 N N 0.594 119.023 118.700 -0.452 0.000 2.422 459 N HA 0.195 4.934 4.740 -0.001 0.000 0.264 459 N C -0.931 174.442 175.510 -0.228 0.000 1.063 459 N CA 0.071 52.977 53.050 -0.241 0.000 0.959 459 N CB 0.060 38.455 38.487 -0.153 0.000 1.087 459 N HN 0.339 nan 8.380 nan 0.000 0.483 460 Y N -0.182 120.216 120.300 0.164 0.000 2.328 460 Y HA 0.154 4.703 4.550 -0.001 0.000 0.336 460 Y C 0.720 176.800 175.900 0.300 0.000 0.960 460 Y CA -0.991 57.319 58.100 0.350 0.000 1.134 460 Y CB 1.103 39.692 38.460 0.214 0.000 1.166 460 Y HN 0.410 nan 8.280 nan 0.000 0.464 461 D N 3.964 124.672 120.400 0.514 0.000 2.533 461 D HA -0.056 4.584 4.640 -0.001 0.000 0.236 461 D C 0.443 176.900 176.300 0.263 0.000 1.137 461 D CA 0.570 54.688 54.000 0.198 0.000 0.867 461 D CB 0.891 41.638 40.800 -0.089 0.000 1.170 461 D HN 0.598 nan 8.370 nan 0.000 0.474 462 M N 2.863 122.572 119.600 0.183 0.000 2.371 462 M HA -0.025 4.455 4.480 -0.001 0.000 0.246 462 M C 1.823 178.227 176.300 0.174 0.000 1.103 462 M CA 0.079 55.485 55.300 0.176 0.000 1.010 462 M CB -0.380 32.299 32.600 0.132 0.000 1.457 462 M HN 0.328 nan 8.290 nan 0.000 0.486 463 T N 2.098 116.743 114.554 0.152 0.000 2.624 463 T HA -0.173 4.177 4.350 -0.001 0.000 0.268 463 T C 1.859 176.647 174.700 0.148 0.000 1.041 463 T CA 1.545 63.721 62.100 0.126 0.000 1.159 463 T CB -0.319 68.608 68.868 0.097 0.000 0.863 463 T HN 0.372 nan 8.240 nan 0.000 0.434 464 L N 0.366 121.710 121.223 0.201 0.000 2.492 464 L HA 0.062 4.401 4.340 -0.001 0.000 0.223 464 L C 2.561 179.635 176.870 0.339 0.000 1.132 464 L CA 0.699 55.645 54.840 0.176 0.000 0.850 464 L CB -0.408 41.673 42.059 0.038 0.000 0.966 464 L HN 0.272 nan 8.230 nan 0.000 0.454 465 T N -1.206 113.593 114.554 0.408 0.000 3.035 465 T HA -0.034 4.316 4.350 -0.001 0.000 0.259 465 T C 1.558 176.399 174.700 0.237 0.000 1.078 465 T CA 0.720 63.044 62.100 0.373 0.000 1.132 465 T CB -0.168 68.831 68.868 0.218 0.000 0.900 465 T HN 0.366 nan 8.240 nan 0.000 0.480 466 N N 1.699 120.509 118.700 0.184 0.000 2.061 466 N HA -0.142 4.598 4.740 -0.001 0.000 0.193 466 N C 2.162 177.758 175.510 0.143 0.000 1.030 466 N CA 1.200 54.335 53.050 0.141 0.000 0.856 466 N CB -0.192 38.362 38.487 0.112 0.000 1.023 466 N HN 0.351 nan 8.380 nan 0.000 0.424 467 A N 0.502 123.405 122.820 0.139 0.000 1.972 467 A HA -0.144 4.175 4.320 -0.001 0.000 0.219 467 A C 2.403 180.086 177.584 0.164 0.000 1.169 467 A CA 1.088 53.199 52.037 0.123 0.000 0.635 467 A CB -0.831 18.220 19.000 0.085 0.000 0.810 467 A HN 0.504 nan 8.150 nan 0.000 0.446 468 C N -0.720 118.711 119.300 0.218 0.000 2.453 468 C HA -0.020 4.439 4.460 -0.001 0.000 0.277 468 C C 2.506 177.688 174.990 0.319 0.000 1.262 468 C CA 0.766 59.964 59.018 0.300 0.000 1.718 468 C CB -1.372 26.564 27.740 0.325 0.000 2.031 468 C HN 0.623 nan 8.230 nan 0.000 0.480 469 I N 1.721 122.429 120.570 0.231 0.000 2.179 469 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 469 I C 2.824 179.071 176.117 0.216 0.000 1.088 469 I CA 1.617 63.035 61.300 0.196 0.000 1.357 469 I CB -0.585 37.499 38.000 0.140 0.000 1.051 469 I HN 0.284 nan 8.210 nan 0.000 0.409 470 A N 0.654 123.590 122.820 0.193 0.000 1.877 470 A HA -0.232 4.088 4.320 -0.001 0.000 0.216 470 A C 2.248 179.979 177.584 0.245 0.000 1.186 470 A CA 1.618 53.763 52.037 0.179 0.000 0.620 470 A CB -0.907 18.171 19.000 0.130 0.000 0.822 470 A HN 0.362 nan 8.150 nan 0.000 0.443 471 L N -0.127 121.263 121.223 0.278 0.000 2.046 471 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 471 L C 2.667 179.960 176.870 0.705 0.000 1.077 471 L CA 2.532 57.596 54.840 0.374 0.000 0.747 471 L CB -0.822 41.299 42.059 0.104 0.000 0.896 471 L HN 0.384 nan 8.230 nan 0.000 0.432 472 S N -1.409 114.734 115.700 0.739 0.000 2.359 472 S HA -0.231 4.238 4.470 -0.001 0.000 0.224 472 S C 1.978 176.842 174.600 0.440 0.000 1.035 472 S CA 1.329 59.894 58.200 0.609 0.000 1.018 472 S CB -0.238 63.133 63.200 0.286 0.000 0.876 472 S HN 0.571 nan 8.310 nan 0.000 0.448 473 Q N 0.793 120.789 119.800 0.327 0.000 2.124 473 Q HA -0.044 4.296 4.340 -0.001 0.000 0.202 473 Q C 2.393 178.558 176.000 0.274 0.000 0.977 473 Q CA 1.204 57.156 55.803 0.248 0.000 0.850 473 Q CB -0.449 28.396 28.738 0.178 0.000 0.901 473 Q HN 0.586 nan 8.270 nan 0.000 0.429 474 R N -0.850 119.842 120.500 0.320 0.000 2.083 474 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 474 R C 2.134 178.680 176.300 0.410 0.000 1.137 474 R CA 1.609 57.889 56.100 0.301 0.000 0.951 474 R CB -0.332 30.151 30.300 0.305 0.000 0.851 474 R HN 0.319 nan 8.270 nan 0.000 0.434 475 W N 0.667 122.214 121.300 0.412 0.000 2.381 475 W HA -0.057 4.603 4.660 -0.000 0.000 0.301 475 W C 2.023 178.708 176.519 0.277 0.000 1.205 475 W CA 0.690 58.188 57.345 0.255 0.000 1.285 475 W CB -0.227 29.313 29.460 0.133 0.000 1.133 475 W HN 0.015 nan 8.180 nan 0.000 0.521 476 I N -0.150 120.676 120.570 0.427 0.000 2.315 476 I HA -0.264 3.906 4.170 -0.001 0.000 0.248 476 I C 2.465 178.707 176.117 0.207 0.000 1.117 476 I CA 1.855 63.308 61.300 0.254 0.000 1.404 476 I CB -0.763 37.339 38.000 0.169 0.000 1.071 476 I HN -0.007 nan 8.210 nan 0.000 0.419 477 T N -1.254 113.426 114.554 0.210 0.000 3.100 477 T HA 0.326 4.676 4.350 -0.001 0.000 0.253 477 T C 0.881 175.686 174.700 0.175 0.000 1.118 477 T CA 0.019 62.213 62.100 0.157 0.000 1.058 477 T CB -0.303 68.634 68.868 0.115 0.000 0.953 477 T HN 0.195 nan 8.240 nan 0.000 0.515 478 A N 1.460 124.436 122.820 0.259 0.000 2.498 478 A HA 0.524 4.844 4.320 -0.001 0.000 0.239 478 A C 0.278 178.040 177.584 0.296 0.000 1.068 478 A CA -0.278 51.894 52.037 0.225 0.000 0.766 478 A CB 0.168 19.308 19.000 0.233 0.000 1.003 478 A HN 0.429 nan 8.150 nan 0.000 0.497 479 K N 0.152 120.638 120.400 0.143 0.000 2.267 479 K HA 0.316 4.635 4.320 -0.001 0.000 0.236 479 K C 1.257 177.897 176.600 0.066 0.000 1.030 479 K CA -0.242 56.133 56.287 0.146 0.000 0.930 479 K CB 0.553 33.098 32.500 0.075 0.000 1.182 479 K HN 0.787 nan 8.250 nan 0.000 0.474 480 E N 0.892 121.140 120.200 0.079 0.000 2.097 480 E HA -0.269 4.081 4.350 -0.001 0.000 0.196 480 E C 0.691 177.269 176.600 -0.036 0.000 1.000 480 E CA 1.978 58.389 56.400 0.017 0.000 0.804 480 E CB 0.045 29.766 29.700 0.036 0.000 0.740 480 E HN 0.650 nan 8.360 nan 0.000 0.454 481 D N -0.078 120.305 120.400 -0.028 0.000 2.371 481 D HA -0.151 4.488 4.640 -0.001 0.000 0.221 481 D C 0.795 177.041 176.300 -0.090 0.000 0.986 481 D CA 0.645 54.614 54.000 -0.050 0.000 0.899 481 D CB -0.158 40.620 40.800 -0.037 0.000 0.902 481 D HN 0.190 nan 8.370 nan 0.000 0.530 482 D N -0.003 120.331 120.400 -0.109 0.000 2.367 482 D HA 0.082 4.721 4.640 -0.001 0.000 0.207 482 D C 2.186 178.332 176.300 -0.257 0.000 1.034 482 D CA -0.055 53.829 54.000 -0.193 0.000 0.861 482 D CB 0.427 41.126 40.800 -0.168 0.000 0.943 482 D HN 0.283 nan 8.370 nan 0.000 0.515 483 L N 0.817 121.949 121.223 -0.152 0.000 2.131 483 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 483 L C 2.166 178.999 176.870 -0.062 0.000 1.092 483 L CA 0.832 55.628 54.840 -0.072 0.000 0.759 483 L CB -0.429 41.565 42.059 -0.109 0.000 0.903 483 L HN -0.001 nan 8.230 nan 0.000 0.435 484 N N 0.090 118.722 118.700 -0.113 0.000 2.272 484 N HA -0.203 4.537 4.740 -0.001 0.000 0.185 484 N C 1.937 177.349 175.510 -0.162 0.000 1.014 484 N CA 1.386 54.372 53.050 -0.107 0.000 0.870 484 N CB 0.054 38.483 38.487 -0.096 0.000 0.975 484 N HN 0.328 nan 8.380 nan 0.000 0.433 485 S N -1.322 114.194 115.700 -0.306 0.000 2.481 485 S HA 0.010 4.480 4.470 -0.001 0.000 0.231 485 S C 0.371 174.706 174.600 -0.442 0.000 0.996 485 S CA -0.016 57.946 58.200 -0.396 0.000 0.942 485 S CB -0.548 62.352 63.200 -0.500 0.000 0.768 485 S HN 0.145 nan 8.310 nan 0.000 0.520 486 F N 3.001 122.795 119.950 -0.260 0.000 2.429 486 F HA 0.538 5.065 4.527 -0.001 0.000 0.348 486 F C 0.885 176.622 175.800 -0.105 0.000 1.109 486 F CA -0.566 57.301 58.000 -0.220 0.000 1.232 486 F CB 0.412 39.159 39.000 -0.422 0.000 1.157 486 F HN 0.211 nan 8.300 nan 0.000 0.564 487 N N 0.636 119.462 118.700 0.209 0.000 2.598 487 N HA 0.303 5.042 4.740 -0.001 0.000 0.263 487 N C 0.205 175.871 175.510 0.259 0.000 1.254 487 N CA -0.055 53.078 53.050 0.137 0.000 0.863 487 N CB 1.946 40.467 38.487 0.057 0.000 1.586 487 N HN 0.571 nan 8.380 nan 0.000 0.491 488 A N 0.985 123.912 122.820 0.178 0.000 2.093 488 A HA -0.187 4.133 4.320 -0.001 0.000 0.222 488 A C 1.841 179.488 177.584 0.105 0.000 1.162 488 A CA 2.727 54.873 52.037 0.182 0.000 0.655 488 A CB -1.108 17.938 19.000 0.076 0.000 0.805 488 A HN 0.849 nan 8.150 nan 0.000 0.461 489 T N -2.808 111.796 114.554 0.083 0.000 3.035 489 T HA -0.094 4.256 4.350 -0.001 0.000 0.268 489 T C 1.126 175.842 174.700 0.028 0.000 1.109 489 T CA 1.165 63.286 62.100 0.035 0.000 1.119 489 T CB -0.419 68.461 68.868 0.020 0.000 0.900 489 T HN 0.402 nan 8.240 nan 0.000 0.503 490 D N 1.908 122.360 120.400 0.086 0.000 2.190 490 D HA -0.060 4.580 4.640 -0.001 0.000 0.200 490 D C 1.747 177.989 176.300 -0.097 0.000 0.992 490 D CA 0.970 55.002 54.000 0.053 0.000 0.854 490 D CB -0.192 40.746 40.800 0.230 0.000 0.936 490 D HN 0.473 nan 8.370 nan 0.000 0.462 491 L N -0.220 120.904 121.223 -0.165 0.000 2.585 491 L HA 0.124 4.464 4.340 -0.001 0.000 0.226 491 L C 2.135 178.938 176.870 -0.111 0.000 1.113 491 L CA -0.100 54.608 54.840 -0.219 0.000 0.876 491 L CB -0.064 41.815 42.059 -0.300 0.000 1.072 491 L HN -0.119 nan 8.230 nan 0.000 0.468 492 K N 1.033 121.392 120.400 -0.068 0.000 2.071 492 K HA -0.229 4.090 4.320 -0.001 0.000 0.217 492 K C 0.771 177.346 176.600 -0.042 0.000 1.054 492 K CA 2.084 58.345 56.287 -0.043 0.000 0.937 492 K CB 0.064 32.548 32.500 -0.026 0.000 0.719 492 K HN 0.319 nan 8.250 nan 0.000 0.454 493 D N -0.014 120.361 120.400 -0.041 0.000 2.427 493 D HA 0.089 4.728 4.640 -0.001 0.000 0.224 493 D C -0.420 175.856 176.300 -0.039 0.000 1.157 493 D CA 0.146 54.125 54.000 -0.034 0.000 0.828 493 D CB 0.321 41.109 40.800 -0.021 0.000 0.974 493 D HN 0.162 nan 8.370 nan 0.000 0.498 494 L N 1.470 122.661 121.223 -0.052 0.000 2.282 494 L HA 0.206 4.546 4.340 -0.001 0.000 0.288 494 L C 1.105 177.943 176.870 -0.053 0.000 1.033 494 L CA -0.600 54.212 54.840 -0.047 0.000 0.807 494 L CB 1.655 43.682 42.059 -0.054 0.000 1.209 494 L HN -0.078 nan 8.230 nan 0.000 0.423 495 S N 0.656 116.320 115.700 -0.059 0.000 2.617 495 S HA 0.043 4.513 4.470 -0.001 0.000 0.259 495 S C 1.343 175.896 174.600 -0.078 0.000 1.301 495 S CA -0.115 58.037 58.200 -0.079 0.000 0.984 495 S CB 1.210 64.358 63.200 -0.087 0.000 0.954 495 S HN 0.755 nan 8.310 nan 0.000 0.572 496 S N 0.335 115.943 115.700 -0.154 0.000 2.383 496 S HA -0.249 4.221 4.470 -0.001 0.000 0.229 496 S C 1.520 176.042 174.600 -0.129 0.000 1.030 496 S CA 1.630 59.724 58.200 -0.177 0.000 1.002 496 S CB -1.335 61.711 63.200 -0.255 0.000 0.829 496 S HN 0.870 nan 8.310 nan 0.000 0.467 497 H N 1.301 120.402 119.070 0.052 0.000 2.387 497 H HA 0.056 4.612 4.556 -0.001 0.000 0.299 497 H C 2.563 178.046 175.328 0.259 0.000 1.090 497 H CA 1.750 57.904 56.048 0.176 0.000 1.332 497 H CB -0.221 29.680 29.762 0.232 0.000 1.386 497 H HN 0.502 nan 8.280 nan 0.000 0.516 498 Q N -0.030 119.898 119.800 0.214 0.000 2.123 498 Q HA -0.092 4.247 4.340 -0.001 0.000 0.199 498 Q C 2.086 178.228 176.000 0.236 0.000 0.966 498 Q CA 0.458 56.410 55.803 0.247 0.000 0.845 498 Q CB 0.127 28.913 28.738 0.081 0.000 0.907 498 Q HN 0.378 nan 8.270 nan 0.000 0.439 499 L N 1.186 122.489 121.223 0.133 0.000 2.012 499 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 499 L C 2.059 179.004 176.870 0.125 0.000 1.073 499 L CA 1.784 56.692 54.840 0.114 0.000 0.748 499 L CB -0.912 41.158 42.059 0.019 0.000 0.891 499 L HN 0.328 nan 8.230 nan 0.000 0.431 500 N N 0.113 118.875 118.700 0.103 0.000 2.120 500 N HA -0.255 4.484 4.740 -0.001 0.000 0.188 500 N C 1.775 177.346 175.510 0.102 0.000 1.024 500 N CA 1.665 54.764 53.050 0.081 0.000 0.852 500 N CB 0.020 38.582 38.487 0.125 0.000 1.003 500 N HN 0.215 nan 8.380 nan 0.000 0.424 501 E N -0.552 119.773 120.200 0.207 0.000 2.150 501 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 501 E C 1.715 178.395 176.600 0.134 0.000 0.985 501 E CA 0.730 57.220 56.400 0.150 0.000 0.814 501 E CB -0.625 29.214 29.700 0.231 0.000 0.752 501 E HN 0.469 nan 8.360 nan 0.000 0.466 502 F N 0.713 120.705 119.950 0.070 0.000 2.095 502 F HA -0.147 4.380 4.527 -0.001 0.000 0.298 502 F C 1.728 177.529 175.800 0.002 0.000 1.104 502 F CA 1.596 59.627 58.000 0.052 0.000 1.232 502 F CB -0.483 38.548 39.000 0.051 0.000 0.987 502 F HN 0.066 nan 8.300 nan 0.000 0.475 503 L N 0.151 121.159 121.223 -0.360 0.000 2.046 503 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 503 L C 2.853 179.534 176.870 -0.314 0.000 1.077 503 L CA 1.190 55.748 54.840 -0.470 0.000 0.747 503 L CB -1.187 40.689 42.059 -0.304 0.000 0.896 503 L HN 0.308 nan 8.230 nan 0.000 0.432 504 A N -0.836 121.879 122.820 -0.176 0.000 1.902 504 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 504 A C 2.262 179.765 177.584 -0.135 0.000 1.181 504 A CA 1.299 53.259 52.037 -0.128 0.000 0.623 504 A CB -0.378 18.581 19.000 -0.069 0.000 0.818 504 A HN 0.387 nan 8.150 nan 0.000 0.443 505 Q N -0.513 119.210 119.800 -0.128 0.000 2.084 505 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 505 Q C 2.224 178.144 176.000 -0.133 0.000 0.978 505 Q CA 2.151 57.899 55.803 -0.091 0.000 0.844 505 Q CB -0.915 27.810 28.738 -0.021 0.000 0.898 505 Q HN 0.689 nan 8.270 nan 0.000 0.426 506 T N 1.818 116.217 114.554 -0.259 0.000 2.812 506 T HA -0.100 4.249 4.350 -0.001 0.000 0.264 506 T C 1.905 176.487 174.700 -0.196 0.000 1.042 506 T CA 0.698 62.643 62.100 -0.258 0.000 1.140 506 T CB -0.313 68.260 68.868 -0.492 0.000 0.870 506 T HN 0.077 nan 8.240 nan 0.000 0.445 507 L N 1.502 122.594 121.223 -0.218 0.000 2.081 507 L HA -0.131 4.209 4.340 -0.001 0.000 0.212 507 L C 2.392 179.176 176.870 -0.144 0.000 1.080 507 L CA 1.726 56.453 54.840 -0.189 0.000 0.754 507 L CB -0.722 41.211 42.059 -0.211 0.000 0.893 507 L HN 0.280 nan 8.230 nan 0.000 0.433 508 Q N -1.043 118.687 119.800 -0.118 0.000 2.297 508 Q HA -0.186 4.154 4.340 -0.001 0.000 0.208 508 Q C 1.400 177.356 176.000 -0.073 0.000 0.981 508 Q CA 1.274 57.025 55.803 -0.086 0.000 0.876 508 Q CB 0.021 28.721 28.738 -0.063 0.000 0.921 508 Q HN 0.375 nan 8.270 nan 0.000 0.446 509 R N -0.515 119.941 120.500 -0.075 0.000 2.468 509 R HA 0.269 4.609 4.340 -0.001 0.000 0.280 509 R C -0.339 175.914 176.300 -0.078 0.000 0.963 509 R CA -0.002 56.062 56.100 -0.059 0.000 1.083 509 R CB 0.629 30.910 30.300 -0.032 0.000 1.200 509 R HN 0.054 nan 8.270 nan 0.000 0.541 510 A N 2.321 125.078 122.820 -0.105 0.000 2.445 510 A HA 0.370 4.690 4.320 -0.001 0.000 0.242 510 A C -1.868 175.648 177.584 -0.113 0.000 1.075 510 A CA -0.955 51.008 52.037 -0.124 0.000 0.777 510 A CB -0.230 18.676 19.000 -0.156 0.000 1.013 510 A HN 0.040 nan 8.150 nan 0.000 0.493 511 P HA 0.484 nan 4.420 nan 0.000 0.277 511 P C -0.941 176.282 177.300 -0.128 0.000 1.240 511 P CA -0.379 62.637 63.100 -0.140 0.000 0.798 511 P CB 0.725 32.338 31.700 -0.145 0.000 0.979 512 L N 3.024 124.163 121.223 -0.139 0.000 2.400 512 L HA 0.516 4.856 4.340 -0.001 0.000 0.264 512 L C -2.090 174.670 176.870 -0.183 0.000 1.061 512 L CA -2.149 52.598 54.840 -0.156 0.000 0.799 512 L CB -0.126 41.867 42.059 -0.110 0.000 1.240 512 L HN 0.291 nan 8.230 nan 0.000 0.461 513 P HA -0.023 nan 4.420 nan 0.000 0.266 513 P C 0.561 177.794 177.300 -0.113 0.000 1.195 513 P CA -0.214 62.769 63.100 -0.195 0.000 0.768 513 P CB 0.447 31.979 31.700 -0.280 0.000 0.838 514 L N 4.295 125.452 121.223 -0.111 0.000 2.043 514 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 514 L C 2.204 178.964 176.870 -0.183 0.000 1.075 514 L CA 2.637 57.374 54.840 -0.172 0.000 0.752 514 L CB -1.598 40.370 42.059 -0.151 0.000 0.891 514 L HN 0.544 nan 8.230 nan 0.000 0.432 515 G N -2.238 106.532 108.800 -0.051 0.000 2.442 515 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.219 515 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.219 515 G C 1.299 176.245 174.900 0.077 0.000 1.141 515 G CA 1.043 46.139 45.100 -0.008 0.000 0.763 515 G HN 0.550 nan 8.290 nan 0.000 0.554 516 H N 0.332 119.397 119.070 -0.008 0.000 2.353 516 H HA 0.010 4.566 4.556 -0.001 0.000 0.300 516 H C 2.623 177.956 175.328 0.009 0.000 1.090 516 H CA 0.879 57.010 56.048 0.139 0.000 1.327 516 H CB -0.121 29.766 29.762 0.207 0.000 1.383 516 H HN 0.218 nan 8.280 nan 0.000 0.508 517 I N 0.911 121.479 120.570 -0.004 0.000 2.252 517 I HA -0.198 3.972 4.170 -0.001 0.000 0.245 517 I C 2.026 177.999 176.117 -0.240 0.000 1.102 517 I CA 1.200 62.434 61.300 -0.111 0.000 1.385 517 I CB -0.864 37.017 38.000 -0.199 0.000 1.064 517 I HN 0.226 nan 8.210 nan 0.000 0.414 518 K N 0.277 120.346 120.400 -0.552 0.000 2.063 518 K HA -0.231 4.088 4.320 -0.001 0.000 0.208 518 K C 2.241 178.729 176.600 -0.188 0.000 1.048 518 K CA 1.436 57.341 56.287 -0.637 0.000 0.928 518 K CB -0.173 31.984 32.500 -0.572 0.000 0.713 518 K HN 0.040 nan 8.250 nan 0.000 0.442 519 R N 1.272 121.719 120.500 -0.089 0.000 2.096 519 R HA -0.023 4.317 4.340 -0.001 0.000 0.235 519 R C 2.090 178.361 176.300 -0.049 0.000 1.127 519 R CA 1.392 57.494 56.100 0.003 0.000 0.968 519 R CB -0.327 30.040 30.300 0.112 0.000 0.861 519 R HN 0.160 nan 8.270 nan 0.000 0.440 520 M N -0.074 119.425 119.600 -0.168 0.000 2.117 520 M HA -0.223 4.257 4.480 -0.001 0.000 0.262 520 M C 2.060 178.116 176.300 -0.408 0.000 1.065 520 M CA 2.070 57.055 55.300 -0.524 0.000 1.114 520 M CB -0.110 32.167 32.600 -0.538 0.000 1.361 520 M HN 0.208 nan 8.290 nan 0.000 0.408 521 Q N 0.724 120.501 119.800 -0.038 0.000 2.084 521 Q HA -0.238 4.102 4.340 -0.001 0.000 0.202 521 Q C 1.657 177.628 176.000 -0.048 0.000 0.978 521 Q CA 2.330 58.163 55.803 0.051 0.000 0.844 521 Q CB -0.404 28.692 28.738 0.597 0.000 0.898 521 Q HN 0.648 nan 8.270 nan 0.000 0.426 522 E N -0.837 119.346 120.200 -0.028 0.000 2.085 522 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 522 E C 1.645 178.188 176.600 -0.095 0.000 0.994 522 E CA 1.891 58.273 56.400 -0.030 0.000 0.801 522 E CB 0.068 29.760 29.700 -0.014 0.000 0.743 522 E HN 0.392 nan 8.360 nan 0.000 0.453 523 V N -2.219 117.571 119.914 -0.207 0.000 3.125 523 V HA 0.047 4.166 4.120 -0.001 0.000 0.249 523 V C 1.340 177.325 176.094 -0.182 0.000 1.113 523 V CA 0.439 62.610 62.300 -0.215 0.000 1.106 523 V CB -0.359 31.317 31.823 -0.245 0.000 0.768 523 V HN 0.175 nan 8.190 nan 0.000 0.468 524 Y N 0.676 120.742 120.300 -0.390 0.000 2.442 524 Y HA 0.392 4.942 4.550 -0.000 0.000 0.250 524 Y C 1.315 176.814 175.900 -0.669 0.000 1.113 524 Y CA -0.804 56.889 58.100 -0.678 0.000 1.273 524 Y CB -1.003 36.633 38.460 -1.373 0.000 1.138 524 Y HN 0.490 nan 8.280 nan 0.000 0.522 525 N N 0.524 119.014 118.700 -0.350 0.000 2.705 525 N HA -0.258 4.482 4.740 -0.001 0.000 0.255 525 N C -0.053 175.325 175.510 -0.219 0.000 1.008 525 N CA -0.118 52.812 53.050 -0.201 0.000 0.742 525 N CB -0.902 37.534 38.487 -0.086 0.000 0.906 525 N HN 0.084 nan 8.380 nan 0.000 0.541 526 F N 0.566 120.237 119.950 -0.466 0.000 2.333 526 F HA -0.075 4.451 4.527 -0.001 0.000 0.300 526 F C 2.216 177.748 175.800 -0.448 0.000 1.083 526 F CA 0.720 58.265 58.000 -0.759 0.000 1.395 526 F CB -0.444 37.442 39.000 -1.857 0.000 1.056 526 F HN 0.311 nan 8.300 nan 0.000 0.529 527 N N 0.190 118.923 118.700 0.055 0.000 2.348 527 N HA -0.121 4.619 4.740 -0.001 0.000 0.185 527 N C 1.921 177.497 175.510 0.109 0.000 1.019 527 N CA 1.117 54.306 53.050 0.232 0.000 0.880 527 N CB -0.391 38.235 38.487 0.232 0.000 0.965 527 N HN 0.263 nan 8.380 nan 0.000 0.437 528 A N 0.080 122.931 122.820 0.053 0.000 2.169 528 A HA 0.164 4.483 4.320 -0.001 0.000 0.212 528 A C 0.918 178.519 177.584 0.028 0.000 1.153 528 A CA -0.093 51.964 52.037 0.033 0.000 0.756 528 A CB -0.031 18.978 19.000 0.014 0.000 0.813 528 A HN 0.135 nan 8.150 nan 0.000 0.471 529 I N 1.238 121.829 120.570 0.034 0.000 2.416 529 I HA 0.066 4.236 4.170 -0.001 0.000 0.288 529 I C 0.273 176.398 176.117 0.013 0.000 1.051 529 I CA -0.382 60.929 61.300 0.019 0.000 1.375 529 I CB 0.814 38.822 38.000 0.014 0.000 1.407 529 I HN 0.183 nan 8.210 nan 0.000 0.516 530 N N 3.846 122.548 118.700 0.002 0.000 2.254 530 N HA -0.033 4.706 4.740 -0.001 0.000 0.190 530 N C 0.516 176.020 175.510 -0.010 0.000 1.107 530 N CA 0.124 53.173 53.050 -0.002 0.000 0.869 530 N CB 0.016 38.504 38.487 0.001 0.000 0.983 530 N HN 0.559 nan 8.380 nan 0.000 0.487 531 N N 2.143 120.834 118.700 -0.014 0.000 2.386 531 N HA -0.078 4.662 4.740 -0.001 0.000 0.273 531 N C 1.211 176.695 175.510 -0.043 0.000 1.331 531 N CA 0.213 53.254 53.050 -0.014 0.000 0.891 531 N CB 0.724 39.197 38.487 -0.024 0.000 1.139 531 N HN 0.153 nan 8.380 nan 0.000 0.487 532 S N 3.598 119.271 115.700 -0.045 0.000 2.382 532 S HA -0.128 4.342 4.470 -0.001 0.000 0.228 532 S C 1.276 175.653 174.600 -0.372 0.000 1.027 532 S CA 0.728 58.805 58.200 -0.206 0.000 0.991 532 S CB -0.034 63.111 63.200 -0.092 0.000 0.823 532 S HN 0.613 nan 8.310 nan 0.000 0.469 533 E N 1.454 121.601 120.200 -0.089 0.000 2.047 533 E HA 0.011 4.361 4.350 -0.001 0.000 0.191 533 E C 2.206 178.824 176.600 0.030 0.000 0.987 533 E CA 1.153 57.578 56.400 0.041 0.000 0.799 533 E CB -0.405 29.404 29.700 0.182 0.000 0.752 533 E HN 0.612 nan 8.360 nan 0.000 0.449 534 I N 0.682 121.239 120.570 -0.021 0.000 2.179 534 I HA -0.255 3.915 4.170 -0.001 0.000 0.242 534 I C 2.840 178.916 176.117 -0.068 0.000 1.088 534 I CA 1.012 62.268 61.300 -0.074 0.000 1.357 534 I CB -0.274 37.656 38.000 -0.116 0.000 1.051 534 I HN 0.016 nan 8.210 nan 0.000 0.409 535 R N 0.678 121.147 120.500 -0.051 0.000 2.081 535 R HA -0.226 4.114 4.340 -0.001 0.000 0.235 535 R C 2.461 178.753 176.300 -0.013 0.000 1.131 535 R CA 1.655 57.764 56.100 0.014 0.000 0.960 535 R CB -0.407 29.883 30.300 -0.016 0.000 0.856 535 R HN 0.227 nan 8.270 nan 0.000 0.436 536 F N 1.571 121.337 119.950 -0.308 0.000 2.043 536 F HA -0.259 4.268 4.527 -0.000 0.000 0.297 536 F C 2.081 177.786 175.800 -0.159 0.000 1.118 536 F CA 1.927 59.733 58.000 -0.324 0.000 1.202 536 F CB -0.273 38.385 39.000 -0.571 0.000 0.965 536 F HN -0.065 nan 8.300 nan 0.000 0.482 537 R N -0.463 119.832 120.500 -0.341 0.000 2.092 537 R HA -0.209 4.131 4.340 -0.001 0.000 0.231 537 R C 2.411 178.545 176.300 -0.277 0.000 1.119 537 R CA 1.537 57.375 56.100 -0.437 0.000 0.970 537 R CB -1.158 29.007 30.300 -0.224 0.000 0.864 537 R HN 0.671 nan 8.270 nan 0.000 0.440 538 W N 1.726 122.824 121.300 -0.337 0.000 2.358 538 W HA -0.174 4.485 4.660 -0.001 0.000 0.303 538 W C 1.234 177.643 176.519 -0.184 0.000 1.208 538 W CA 1.172 58.361 57.345 -0.260 0.000 1.274 538 W CB -0.130 29.184 29.460 -0.244 0.000 1.138 538 W HN 0.075 nan 8.180 nan 0.000 0.515 539 L N 0.661 121.652 121.223 -0.386 0.000 2.093 539 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 539 L C 2.878 179.488 176.870 -0.434 0.000 1.085 539 L CA 1.135 55.688 54.840 -0.480 0.000 0.755 539 L CB -0.798 41.095 42.059 -0.277 0.000 0.904 539 L HN -0.096 nan 8.230 nan 0.000 0.435 540 R N -0.200 120.033 120.500 -0.445 0.000 2.096 540 R HA -0.178 4.162 4.340 -0.001 0.000 0.235 540 R C 2.215 178.297 176.300 -0.364 0.000 1.127 540 R CA 1.220 57.072 56.100 -0.413 0.000 0.968 540 R CB -0.475 29.499 30.300 -0.544 0.000 0.861 540 R HN 0.201 nan 8.270 nan 0.000 0.440 541 L N 0.583 121.579 121.223 -0.378 0.000 2.056 541 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 541 L C 2.121 178.775 176.870 -0.360 0.000 1.078 541 L CA 1.614 56.260 54.840 -0.322 0.000 0.749 541 L CB -0.484 41.431 42.059 -0.241 0.000 0.901 541 L HN 0.148 nan 8.230 nan 0.000 0.433 542 C N -0.298 118.697 119.300 -0.508 0.000 2.436 542 C HA -0.153 4.307 4.460 -0.001 0.000 0.277 542 C C 2.706 177.528 174.990 -0.279 0.000 1.241 542 C CA 0.696 59.473 59.018 -0.403 0.000 1.721 542 C CB -0.923 26.477 27.740 -0.568 0.000 2.043 542 C HN 0.561 nan 8.230 nan 0.000 0.472 543 I N 0.732 121.115 120.570 -0.312 0.000 2.202 543 I HA -0.180 3.990 4.170 -0.001 0.000 0.242 543 I C 2.528 178.373 176.117 -0.453 0.000 1.091 543 I CA 1.655 62.764 61.300 -0.319 0.000 1.368 543 I CB -1.626 36.266 38.000 -0.180 0.000 1.058 543 I HN 0.524 nan 8.210 nan 0.000 0.410 544 Q N 0.106 119.706 119.800 -0.334 0.000 2.291 544 Q HA -0.083 4.257 4.340 -0.001 0.000 0.205 544 Q C 1.862 177.672 176.000 -0.316 0.000 0.970 544 Q CA 1.229 56.853 55.803 -0.299 0.000 0.876 544 Q CB -0.060 28.544 28.738 -0.223 0.000 0.935 544 Q HN 0.359 nan 8.270 nan 0.000 0.455 545 S N 0.311 115.823 115.700 -0.314 0.000 2.605 545 S HA 0.050 4.520 4.470 -0.001 0.000 0.217 545 S C -0.211 174.210 174.600 -0.299 0.000 0.958 545 S CA -0.079 57.964 58.200 -0.263 0.000 0.919 545 S CB 0.354 63.430 63.200 -0.208 0.000 0.780 545 S HN 0.207 nan 8.310 nan 0.000 0.507 546 K N -0.089 119.978 120.400 -0.554 0.000 3.167 546 K HA -0.153 4.167 4.320 -0.001 0.000 0.272 546 K C -0.899 175.626 176.600 -0.123 0.000 1.137 546 K CA 0.478 56.278 56.287 -0.813 0.000 0.800 546 K CB -2.106 30.175 32.500 -0.366 0.000 1.253 546 K HN 0.540 nan 8.250 nan 0.000 0.497 547 W N 2.842 123.985 121.300 -0.261 0.000 2.416 547 W HA 0.219 4.879 4.660 -0.000 0.000 0.318 547 W C 1.179 177.754 176.519 0.093 0.000 1.150 547 W CA -0.994 56.314 57.345 -0.061 0.000 1.392 547 W CB 0.025 29.404 29.460 -0.134 0.000 1.311 547 W HN 0.194 nan 8.180 nan 0.000 0.436 548 E N 1.996 122.450 120.200 0.423 0.000 2.118 548 E HA -0.255 4.094 4.350 -0.001 0.000 0.195 548 E C 1.194 177.740 176.600 -0.091 0.000 0.992 548 E CA 1.730 58.253 56.400 0.204 0.000 0.804 548 E CB 0.274 30.073 29.700 0.164 0.000 0.741 548 E HN 0.394 nan 8.360 nan 0.000 0.458 549 D N 0.293 120.460 120.400 -0.387 0.000 2.221 549 D HA -0.151 4.489 4.640 -0.001 0.000 0.204 549 D C 1.618 177.573 176.300 -0.575 0.000 0.982 549 D CA 1.177 54.827 54.000 -0.583 0.000 0.857 549 D CB -0.165 40.047 40.800 -0.980 0.000 0.934 549 D HN 0.201 nan 8.370 nan 0.000 0.475 550 A N -0.059 122.403 122.820 -0.597 0.000 2.167 550 A HA 0.028 4.347 4.320 -0.001 0.000 0.214 550 A C 2.177 179.629 177.584 -0.220 0.000 1.151 550 A CA 0.092 51.879 52.037 -0.418 0.000 0.735 550 A CB -0.413 18.351 19.000 -0.393 0.000 0.802 550 A HN 0.162 nan 8.150 nan 0.000 0.467 551 I N 0.878 121.369 120.570 -0.132 0.000 2.127 551 I HA -0.181 3.989 4.170 -0.001 0.000 0.241 551 I C -0.265 175.790 176.117 -0.103 0.000 1.075 551 I CA 1.678 62.937 61.300 -0.069 0.000 1.334 551 I CB -1.081 36.897 38.000 -0.036 0.000 1.040 551 I HN 0.241 nan 8.210 nan 0.000 0.405 552 P HA -0.141 nan 4.420 nan 0.000 0.220 552 P C 1.903 179.140 177.300 -0.104 0.000 1.148 552 P CA 1.554 64.597 63.100 -0.095 0.000 0.803 552 P CB -0.044 31.605 31.700 -0.084 0.000 0.782 553 L N -0.560 120.588 121.223 -0.126 0.000 2.072 553 L HA -0.073 4.266 4.340 -0.001 0.000 0.205 553 L C 2.801 179.598 176.870 -0.123 0.000 1.079 553 L CA 1.537 56.309 54.840 -0.113 0.000 0.752 553 L CB -1.299 40.688 42.059 -0.120 0.000 0.906 553 L HN -0.066 nan 8.230 nan 0.000 0.436 554 A N 0.222 122.952 122.820 -0.149 0.000 1.898 554 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 554 A C 2.275 179.736 177.584 -0.204 0.000 1.181 554 A CA 1.243 53.182 52.037 -0.164 0.000 0.620 554 A CB -0.635 18.268 19.000 -0.162 0.000 0.819 554 A HN 0.322 nan 8.150 nan 0.000 0.442 555 L N -0.596 120.511 121.223 -0.193 0.000 2.046 555 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 555 L C 2.634 179.377 176.870 -0.211 0.000 1.077 555 L CA 2.007 56.706 54.840 -0.235 0.000 0.747 555 L CB -0.370 41.603 42.059 -0.144 0.000 0.896 555 L HN 0.498 nan 8.230 nan 0.000 0.432 556 K N 0.309 120.627 120.400 -0.136 0.000 2.026 556 K HA -0.244 4.076 4.320 -0.001 0.000 0.208 556 K C 2.252 178.793 176.600 -0.099 0.000 1.048 556 K CA 1.714 57.943 56.287 -0.096 0.000 0.929 556 K CB -0.140 32.322 32.500 -0.063 0.000 0.713 556 K HN 0.123 nan 8.250 nan 0.000 0.439 557 M N 0.213 119.752 119.600 -0.101 0.000 2.159 557 M HA -0.111 4.368 4.480 -0.001 0.000 0.263 557 M C 1.973 178.222 176.300 -0.086 0.000 1.063 557 M CA 1.752 57.006 55.300 -0.075 0.000 1.110 557 M CB -0.099 32.459 32.600 -0.069 0.000 1.374 557 M HN 0.298 nan 8.290 nan 0.000 0.411 558 A N -0.352 122.356 122.820 -0.187 0.000 2.019 558 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 558 A C 2.075 179.564 177.584 -0.158 0.000 1.164 558 A CA 2.187 54.060 52.037 -0.273 0.000 0.644 558 A CB -1.013 17.533 19.000 -0.756 0.000 0.805 558 A HN 0.709 nan 8.150 nan 0.000 0.449 559 T N -4.153 110.298 114.554 -0.173 0.000 3.000 559 T HA 0.175 4.525 4.350 -0.001 0.000 0.248 559 T C 1.421 176.088 174.700 -0.056 0.000 1.034 559 T CA 0.714 62.721 62.100 -0.154 0.000 1.060 559 T CB -0.023 68.596 68.868 -0.415 0.000 0.983 559 T HN 0.476 nan 8.240 nan 0.000 0.482 560 E N 1.156 121.338 120.200 -0.031 0.000 2.427 560 E HA 0.049 4.399 4.350 -0.001 0.000 0.196 560 E C 0.554 177.178 176.600 0.039 0.000 1.028 560 E CA 0.410 56.819 56.400 0.015 0.000 0.864 560 E CB 0.173 29.878 29.700 0.008 0.000 0.813 560 E HN 0.740 nan 8.360 nan 0.000 0.514 561 Q N -2.163 117.664 119.800 0.044 0.000 2.544 561 Q HA 0.540 4.880 4.340 -0.001 0.000 0.291 561 Q C 0.185 176.228 176.000 0.072 0.000 1.068 561 Q CA -0.830 55.016 55.803 0.071 0.000 0.785 561 Q CB 1.156 29.952 28.738 0.097 0.000 1.481 561 Q HN -0.064 nan 8.270 nan 0.000 0.430 562 G N -0.266 108.569 108.800 0.059 0.000 3.979 562 G HA2 0.118 4.078 3.960 -0.001 0.000 0.287 562 G HA3 0.118 4.078 3.960 -0.001 0.000 0.287 562 G C -0.581 174.264 174.900 -0.092 0.000 1.011 562 G CA -0.527 44.590 45.100 0.028 0.000 0.818 562 G HN 0.443 nan 8.290 nan 0.000 0.470 563 R N 0.941 121.370 120.500 -0.118 0.000 2.370 563 R HA 0.258 4.598 4.340 -0.001 0.000 0.309 563 R C 1.457 177.526 176.300 -0.385 0.000 1.059 563 R CA -0.360 55.542 56.100 -0.328 0.000 0.981 563 R CB 0.283 30.353 30.300 -0.382 0.000 0.972 563 R HN 0.148 nan 8.270 nan 0.000 0.437 564 M N 3.530 122.840 119.600 -0.484 0.000 2.159 564 M HA -0.228 4.252 4.480 -0.001 0.000 0.263 564 M C 2.013 178.112 176.300 -0.335 0.000 1.063 564 M CA 1.747 56.822 55.300 -0.375 0.000 1.110 564 M CB -0.270 32.047 32.600 -0.471 0.000 1.374 564 M HN 0.641 nan 8.290 nan 0.000 0.411 565 K N 0.297 120.401 120.400 -0.495 0.000 2.127 565 K HA -0.211 4.109 4.320 -0.001 0.000 0.208 565 K C 1.316 177.528 176.600 -0.646 0.000 1.047 565 K CA 1.755 57.695 56.287 -0.579 0.000 0.927 565 K CB 0.055 32.038 32.500 -0.860 0.000 0.716 565 K HN 0.181 nan 8.250 nan 0.000 0.450 566 F N -0.693 118.935 119.950 -0.537 0.000 2.399 566 F HA 0.111 4.638 4.527 -0.001 0.000 0.282 566 F C 2.476 178.210 175.800 -0.111 0.000 1.027 566 F CA 0.511 58.152 58.000 -0.598 0.000 1.333 566 F CB -0.980 37.768 39.000 -0.421 0.000 1.132 566 F HN -0.115 nan 8.300 nan 0.000 0.590 567 T N 0.895 115.508 114.554 0.098 0.000 2.684 567 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 567 T C 2.156 176.984 174.700 0.212 0.000 1.036 567 T CA 1.533 63.717 62.100 0.140 0.000 1.148 567 T CB -0.212 68.737 68.868 0.135 0.000 0.863 567 T HN 0.112 nan 8.240 nan 0.000 0.436 568 R N 0.684 121.252 120.500 0.113 0.000 2.070 568 R HA -0.062 4.278 4.340 -0.001 0.000 0.233 568 R C -0.463 175.918 176.300 0.135 0.000 1.137 568 R CA 1.545 57.708 56.100 0.105 0.000 0.945 568 R CB -1.327 28.977 30.300 0.006 0.000 0.845 568 R HN 0.361 nan 8.270 nan 0.000 0.430 569 P HA -0.074 nan 4.420 nan 0.000 0.219 569 P C 1.110 178.499 177.300 0.149 0.000 1.150 569 P CA 1.030 64.234 63.100 0.173 0.000 0.814 569 P CB 0.027 31.911 31.700 0.305 0.000 0.787 570 L N -2.445 118.891 121.223 0.188 0.000 2.017 570 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 570 L C 2.297 179.150 176.870 -0.028 0.000 1.073 570 L CA 1.471 56.331 54.840 0.034 0.000 0.745 570 L CB -0.964 41.085 42.059 -0.016 0.000 0.894 570 L HN -0.090 nan 8.230 nan 0.000 0.432 571 F N 0.505 120.464 119.950 0.016 0.000 2.134 571 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 571 F C 2.618 178.400 175.800 -0.031 0.000 1.097 571 F CA 1.469 59.457 58.000 -0.021 0.000 1.264 571 F CB -0.377 38.593 39.000 -0.049 0.000 1.001 571 F HN -0.077 nan 8.300 nan 0.000 0.479 572 K N -0.002 120.492 120.400 0.158 0.000 2.026 572 K HA -0.186 4.134 4.320 -0.001 0.000 0.208 572 K C 1.752 178.387 176.600 0.059 0.000 1.048 572 K CA 1.756 58.088 56.287 0.075 0.000 0.929 572 K CB -0.325 32.195 32.500 0.034 0.000 0.713 572 K HN 0.145 nan 8.250 nan 0.000 0.439 573 D N 0.976 121.396 120.400 0.033 0.000 2.092 573 D HA -0.162 4.478 4.640 -0.001 0.000 0.193 573 D C 1.935 178.274 176.300 0.064 0.000 0.994 573 D CA 1.024 55.027 54.000 0.006 0.000 0.828 573 D CB -0.314 40.450 40.800 -0.061 0.000 0.963 573 D HN 0.105 nan 8.370 nan 0.000 0.450 574 L N 0.481 121.742 121.223 0.065 0.000 2.079 574 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 574 L C 2.413 179.366 176.870 0.139 0.000 1.081 574 L CA 1.244 56.146 54.840 0.104 0.000 0.752 574 L CB -0.378 41.695 42.059 0.023 0.000 0.896 574 L HN 0.001 nan 8.230 nan 0.000 0.433 575 A N -0.373 122.523 122.820 0.127 0.000 1.968 575 A HA -0.004 4.316 4.320 -0.001 0.000 0.217 575 A C 2.422 180.166 177.584 0.267 0.000 1.169 575 A CA 1.325 53.453 52.037 0.153 0.000 0.638 575 A CB -0.489 18.566 19.000 0.092 0.000 0.812 575 A HN 0.374 nan 8.150 nan 0.000 0.446 576 A N -1.585 121.342 122.820 0.178 0.000 2.119 576 A HA 0.258 4.578 4.320 -0.001 0.000 0.216 576 A C 0.624 178.336 177.584 0.214 0.000 1.152 576 A CA 0.121 52.247 52.037 0.149 0.000 0.708 576 A CB -0.307 18.735 19.000 0.071 0.000 0.805 576 A HN 0.417 nan 8.150 nan 0.000 0.460 577 F N 2.414 122.388 119.950 0.041 0.000 2.421 577 F HA 0.292 4.819 4.527 -0.001 0.000 0.358 577 F C 0.969 176.803 175.800 0.058 0.000 1.115 577 F CA -1.817 56.198 58.000 0.026 0.000 1.160 577 F CB 0.644 39.646 39.000 0.003 0.000 1.123 577 F HN 0.351 nan 8.300 nan 0.000 0.508 578 D N 4.104 124.611 120.400 0.177 0.000 2.149 578 D HA -0.229 4.411 4.640 -0.001 0.000 0.198 578 D C 1.390 177.563 176.300 -0.211 0.000 0.990 578 D CA 1.448 55.439 54.000 -0.016 0.000 0.839 578 D CB -0.176 40.624 40.800 -0.001 0.000 0.948 578 D HN 0.406 nan 8.370 nan 0.000 0.460 579 K N 0.100 120.131 120.400 -0.616 0.000 2.147 579 K HA -0.046 4.274 4.320 -0.001 0.000 0.205 579 K C 2.091 178.397 176.600 -0.490 0.000 1.049 579 K CA 1.472 57.355 56.287 -0.674 0.000 0.936 579 K CB -0.231 31.670 32.500 -0.999 0.000 0.722 579 K HN 0.461 nan 8.250 nan 0.000 0.446 580 S N -0.654 114.756 115.700 -0.484 0.000 2.539 580 S HA 0.002 4.472 4.470 -0.001 0.000 0.221 580 S C 1.659 176.242 174.600 -0.028 0.000 0.987 580 S CA -0.319 57.774 58.200 -0.178 0.000 0.929 580 S CB -0.192 62.958 63.200 -0.083 0.000 0.832 580 S HN 0.283 nan 8.310 nan 0.000 0.492 581 H N 2.847 121.877 119.070 -0.068 0.000 2.265 581 H HA -0.158 4.397 4.556 -0.001 0.000 0.293 581 H C 0.970 176.309 175.328 0.018 0.000 1.089 581 H CA 2.477 58.525 56.048 0.001 0.000 1.244 581 H CB -0.447 29.315 29.762 0.000 0.000 1.355 581 H HN 0.348 nan 8.280 nan 0.000 0.485 582 D N 0.491 120.939 120.400 0.080 0.000 2.117 582 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 582 D C 2.486 178.780 176.300 -0.010 0.000 0.987 582 D CA 0.874 54.895 54.000 0.036 0.000 0.829 582 D CB -0.408 40.436 40.800 0.073 0.000 0.961 582 D HN 0.541 nan 8.370 nan 0.000 0.460 583 Q N 0.356 120.153 119.800 -0.005 0.000 2.096 583 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 583 Q C 2.233 178.266 176.000 0.055 0.000 0.982 583 Q CA 1.603 57.415 55.803 0.015 0.000 0.850 583 Q CB -0.138 28.596 28.738 -0.007 0.000 0.901 583 Q HN 0.248 nan 8.270 nan 0.000 0.422 584 A N 0.134 122.979 122.820 0.041 0.000 1.865 584 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 584 A C 2.326 180.021 177.584 0.185 0.000 1.191 584 A CA 1.614 53.752 52.037 0.170 0.000 0.623 584 A CB -0.955 18.120 19.000 0.126 0.000 0.826 584 A HN 0.234 nan 8.150 nan 0.000 0.444 585 V N 0.045 119.948 119.914 -0.019 0.000 2.287 585 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 585 V C 2.708 178.860 176.094 0.096 0.000 1.053 585 V CA 2.508 64.805 62.300 -0.006 0.000 1.027 585 V CB -0.802 30.949 31.823 -0.121 0.000 0.646 585 V HN 0.684 nan 8.190 nan 0.000 0.447 586 R N -0.396 120.147 120.500 0.072 0.000 2.081 586 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 586 R C 2.330 178.705 176.300 0.124 0.000 1.131 586 R CA 2.088 58.234 56.100 0.076 0.000 0.960 586 R CB -0.439 29.894 30.300 0.054 0.000 0.856 586 R HN 0.563 nan 8.270 nan 0.000 0.436 587 T N 0.083 114.757 114.554 0.200 0.000 2.777 587 T HA -0.187 4.163 4.350 -0.001 0.000 0.266 587 T C 1.328 176.244 174.700 0.360 0.000 1.040 587 T CA 1.454 63.740 62.100 0.310 0.000 1.141 587 T CB -0.500 68.556 68.868 0.313 0.000 0.868 587 T HN 0.382 nan 8.240 nan 0.000 0.444 588 Y N 2.017 122.399 120.300 0.137 0.000 2.097 588 Y HA -0.215 4.335 4.550 -0.001 0.000 0.282 588 Y C 2.534 178.418 175.900 -0.027 0.000 1.152 588 Y CA 1.476 59.492 58.100 -0.140 0.000 1.136 588 Y CB -0.592 37.590 38.460 -0.464 0.000 0.975 588 Y HN 0.208 nan 8.280 nan 0.000 0.498 589 Q N 0.003 119.693 119.800 -0.183 0.000 2.061 589 Q HA -0.237 4.103 4.340 -0.001 0.000 0.204 589 Q C 2.133 178.016 176.000 -0.196 0.000 0.984 589 Q CA 2.164 57.817 55.803 -0.251 0.000 0.846 589 Q CB -0.198 28.502 28.738 -0.064 0.000 0.902 589 Q HN 0.653 nan 8.270 nan 0.000 0.421 590 E N -0.797 119.357 120.200 -0.078 0.000 2.204 590 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 590 E C 1.459 177.946 176.600 -0.188 0.000 0.989 590 E CA 0.844 57.183 56.400 -0.102 0.000 0.824 590 E CB 0.064 29.730 29.700 -0.058 0.000 0.756 590 E HN 0.464 nan 8.360 nan 0.000 0.477 591 H N -0.112 118.895 119.070 -0.105 0.000 2.547 591 H HA 0.096 4.652 4.556 -0.001 0.000 0.272 591 H C 1.774 177.017 175.328 -0.141 0.000 0.971 591 H CA 0.612 56.619 56.048 -0.068 0.000 1.245 591 H CB 0.318 30.103 29.762 0.038 0.000 1.440 591 H HN -0.055 nan 8.280 nan 0.000 0.540 592 K N 1.107 121.366 120.400 -0.235 0.000 2.052 592 K HA -0.269 4.050 4.320 -0.001 0.000 0.215 592 K C 2.178 178.693 176.600 -0.142 0.000 1.053 592 K CA 1.742 57.823 56.287 -0.343 0.000 0.934 592 K CB -0.252 31.885 32.500 -0.604 0.000 0.717 592 K HN 0.290 nan 8.250 nan 0.000 0.450 593 A N 0.230 122.979 122.820 -0.119 0.000 2.019 593 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 593 A C 1.848 179.415 177.584 -0.027 0.000 1.164 593 A CA 1.933 53.929 52.037 -0.069 0.000 0.644 593 A CB -0.369 18.589 19.000 -0.070 0.000 0.805 593 A HN 0.550 nan 8.150 nan 0.000 0.449 594 S N -1.813 113.883 115.700 -0.008 0.000 2.568 594 S HA 0.496 4.966 4.470 -0.001 0.000 0.232 594 S C 0.438 175.086 174.600 0.079 0.000 0.975 594 S CA -0.455 57.768 58.200 0.038 0.000 0.949 594 S CB -0.281 62.942 63.200 0.039 0.000 0.829 594 S HN 0.417 nan 8.310 nan 0.000 0.479 595 M N 2.011 121.652 119.600 0.069 0.000 2.283 595 M HA 0.289 4.769 4.480 -0.001 0.000 0.314 595 M C 0.645 177.002 176.300 0.095 0.000 1.153 595 M CA -0.599 54.767 55.300 0.109 0.000 1.084 595 M CB 0.464 33.128 32.600 0.106 0.000 1.468 595 M HN 0.289 nan 8.290 nan 0.000 0.474 596 H N 3.466 122.565 119.070 0.047 0.000 3.001 596 H HA 0.019 4.575 4.556 -0.001 0.000 0.334 596 H C -1.806 173.513 175.328 -0.015 0.000 1.034 596 H CA -0.506 55.547 56.048 0.008 0.000 1.420 596 H CB 0.872 30.651 29.762 0.029 0.000 1.405 596 H HN 0.356 nan 8.280 nan 0.000 0.593 597 P HA -0.151 nan 4.420 nan 0.000 0.218 597 P C 1.618 178.927 177.300 0.015 0.000 1.149 597 P CA 0.718 63.745 63.100 -0.123 0.000 0.817 597 P CB 0.374 31.953 31.700 -0.201 0.000 0.785 598 V N 0.411 120.413 119.914 0.146 0.000 2.323 598 V HA -0.176 3.943 4.120 -0.001 0.000 0.244 598 V C 2.626 178.765 176.094 0.074 0.000 1.041 598 V CA 2.547 64.920 62.300 0.120 0.000 1.025 598 V CB -1.947 29.934 31.823 0.098 0.000 0.656 598 V HN 0.162 nan 8.190 nan 0.000 0.451 599 T N 0.744 115.359 114.554 0.102 0.000 2.720 599 T HA -0.200 4.149 4.350 -0.001 0.000 0.268 599 T C 2.090 176.826 174.700 0.060 0.000 1.037 599 T CA 1.693 63.803 62.100 0.017 0.000 1.144 599 T CB -0.507 68.371 68.868 0.016 0.000 0.864 599 T HN 0.559 nan 8.240 nan 0.000 0.444 600 A N 1.977 124.864 122.820 0.111 0.000 1.908 600 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 600 A C 2.315 179.995 177.584 0.159 0.000 1.181 600 A CA 1.742 53.886 52.037 0.177 0.000 0.627 600 A CB -0.716 18.342 19.000 0.098 0.000 0.818 600 A HN 0.401 nan 8.150 nan 0.000 0.445 601 M N -0.345 119.304 119.600 0.082 0.000 2.067 601 M HA -0.093 4.386 4.480 -0.001 0.000 0.260 601 M C 2.063 178.365 176.300 0.003 0.000 1.069 601 M CA 1.804 57.136 55.300 0.053 0.000 1.117 601 M CB -0.712 31.916 32.600 0.047 0.000 1.334 601 M HN 0.434 nan 8.290 nan 0.000 0.407 602 L N -0.611 120.601 121.223 -0.018 0.000 2.056 602 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 602 L C 2.427 179.226 176.870 -0.119 0.000 1.078 602 L CA 0.663 55.472 54.840 -0.050 0.000 0.749 602 L CB -0.752 41.280 42.059 -0.045 0.000 0.901 602 L HN 0.103 nan 8.230 nan 0.000 0.433 603 V N 0.304 120.113 119.914 -0.175 0.000 2.295 603 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 603 V C 2.673 178.376 176.094 -0.650 0.000 1.049 603 V CA 2.029 64.094 62.300 -0.391 0.000 1.024 603 V CB -1.405 30.134 31.823 -0.474 0.000 0.648 603 V HN 0.575 nan 8.190 nan 0.000 0.447 604 G N -0.443 107.988 108.800 -0.615 0.000 2.513 604 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.219 604 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.219 604 G C 1.658 176.413 174.900 -0.242 0.000 1.160 604 G CA 1.429 46.254 45.100 -0.459 0.000 0.767 604 G HN 0.480 nan 8.290 nan 0.000 0.571 605 K N 0.019 120.335 120.400 -0.140 0.000 2.002 605 K HA -0.115 4.204 4.320 -0.001 0.000 0.209 605 K C 2.262 178.807 176.600 -0.091 0.000 1.048 605 K CA 1.585 57.827 56.287 -0.075 0.000 0.930 605 K CB -0.140 32.341 32.500 -0.031 0.000 0.714 605 K HN 0.126 nan 8.250 nan 0.000 0.438 606 D N 0.569 120.897 120.400 -0.121 0.000 2.133 606 D HA -0.191 4.448 4.640 -0.001 0.000 0.195 606 D C 1.644 177.880 176.300 -0.108 0.000 0.997 606 D CA 1.196 55.136 54.000 -0.100 0.000 0.840 606 D CB -0.029 40.708 40.800 -0.104 0.000 0.947 606 D HN 0.267 nan 8.370 nan 0.000 0.452 607 L N -0.413 120.693 121.223 -0.195 0.000 2.567 607 L HA 0.106 4.445 4.340 -0.001 0.000 0.225 607 L C 0.294 177.111 176.870 -0.088 0.000 1.119 607 L CA 0.024 54.762 54.840 -0.170 0.000 0.871 607 L CB -0.053 41.808 42.059 -0.331 0.000 1.036 607 L HN -0.041 nan 8.230 nan 0.000 0.459 608 K N 0.448 120.803 120.400 -0.076 0.000 3.244 608 K HA -0.142 4.177 4.320 -0.001 0.000 0.270 608 K C -0.813 175.781 176.600 -0.010 0.000 1.016 608 K CA -0.005 56.267 56.287 -0.024 0.000 0.754 608 K CB -1.542 30.964 32.500 0.010 0.000 1.326 608 K HN 0.077 nan 8.250 nan 0.000 0.465 609 V N 0.864 120.759 119.914 -0.032 0.000 2.769 609 V HA 0.352 4.472 4.120 -0.001 0.000 0.312 609 V C 0.587 176.724 176.094 0.072 0.000 1.061 609 V CA -0.581 61.738 62.300 0.032 0.000 0.931 609 V CB 1.954 33.816 31.823 0.065 0.000 1.010 609 V HN 0.543 nan 8.190 nan 0.000 0.433 610 D N 0.000 120.449 120.400 0.082 0.000 6.856 610 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 610 D CA 0.000 54.043 54.000 0.072 0.000 0.868 610 D CB 0.000 40.858 40.800 0.097 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683