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 2h4q_1_A DATA FIRST_RESID -10 DATA SEQUENCE KDRWGSELEI SMEQVSASIG NFTVDLFNKL NETNRDKNIF FSPWSISSAL DATA SEQUENCE ALTYLAAKGS TAREMAEVLH FXXXXXXXXX XXXXXXXXXX XXXXXXXXXE DATA SEQUENCE QAENIHSGFK ELLTAFNKPR NNYSLRSANR IYVEKTYALL PTYLQLSKKY DATA SEQUENCE YKAEPQKVNF KTAPEQSRKE INTWVEKQTE SKIKNLLSSD DVKATTRLIL DATA SEQUENCE VNAIYFKAEW EVKFQAEKTS IQPFRLSKNK SKPVKMMYMR DTFPVLIMEK DATA SEQUENCE MNFKMIELPY VKRELSMFIL LPDDIKDGTT GLEQLERELT YERLSEWADS DATA SEQUENCE KMMTETLVDL HLPKFSLEDR IDLRDTLRNM GMTTAFTTNA DFRGMTDKKD DATA SEQUENCE LAISKVIHQS FVAVDEKGTE AVAATAVIIS 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 -10 K HA 0.000 nan 4.320 nan 0.000 0.191 -10 K C 0.000 176.634 176.600 0.057 0.000 0.988 -10 K CA 0.000 56.312 56.287 0.042 0.000 0.838 -10 K CB 0.000 32.525 32.500 0.041 0.000 1.064 -9 D N 1.812 122.258 120.400 0.077 0.000 2.697 -9 D HA -0.160 4.485 4.640 0.009 0.000 0.238 -9 D C 0.586 176.955 176.300 0.115 0.000 1.152 -9 D CA 0.658 54.726 54.000 0.114 0.000 0.666 -9 D CB -0.465 40.395 40.800 0.098 0.000 1.037 -9 D HN 0.249 nan 8.370 nan 0.000 0.423 -8 R N -0.614 119.958 120.500 0.120 0.000 2.148 -8 R HA -0.116 4.230 4.340 0.009 0.000 0.227 -8 R C 1.831 178.223 176.300 0.153 0.000 1.103 -8 R CA 1.410 57.575 56.100 0.108 0.000 0.983 -8 R CB -0.192 30.164 30.300 0.094 0.000 0.874 -8 R HN 0.537 nan 8.270 nan 0.000 0.451 -7 W N 1.039 122.344 121.300 0.008 0.000 2.354 -7 W HA -0.063 4.602 4.660 0.008 0.000 0.315 -7 W C 2.155 178.679 176.519 0.007 0.000 1.206 -7 W CA 1.807 59.157 57.345 0.009 0.000 1.290 -7 W CB -0.814 28.651 29.460 0.008 0.000 1.152 -7 W HN 0.054 nan 8.180 nan 0.000 0.489 -6 G N -0.523 108.296 108.800 0.032 0.000 2.418 -6 G HA2 -0.273 3.692 3.960 0.009 0.000 0.217 -6 G HA3 -0.273 3.692 3.960 0.009 0.000 0.217 -6 G C 1.615 176.436 174.900 -0.132 0.000 1.158 -6 G CA 1.377 46.392 45.100 -0.142 0.000 0.771 -6 G HN 0.292 nan 8.290 nan 0.000 0.545 -5 S N 0.004 115.677 115.700 -0.045 0.000 2.368 -5 S HA -0.102 4.373 4.470 0.009 0.000 0.225 -5 S C 2.110 176.672 174.600 -0.063 0.000 1.030 -5 S CA 1.402 59.579 58.200 -0.038 0.000 0.999 -5 S CB -0.228 62.973 63.200 0.001 0.000 0.844 -5 S HN 0.644 nan 8.310 nan 0.000 0.459 -4 E N 0.978 121.138 120.200 -0.068 0.000 2.051 -4 E HA -0.137 4.218 4.350 0.009 0.000 0.192 -4 E C 1.968 178.487 176.600 -0.136 0.000 0.991 -4 E CA 0.991 57.346 56.400 -0.074 0.000 0.799 -4 E CB -0.158 29.519 29.700 -0.039 0.000 0.748 -4 E HN 0.425 nan 8.360 nan 0.000 0.449 -3 L N 0.713 121.786 121.223 -0.250 0.000 2.141 -3 L HA -0.161 4.184 4.340 0.009 0.000 0.209 -3 L C 2.699 179.447 176.870 -0.202 0.000 1.094 -3 L CA 1.522 56.190 54.840 -0.287 0.000 0.763 -3 L CB -0.574 41.179 42.059 -0.511 0.000 0.908 -3 L HN 0.322 nan 8.230 nan 0.000 0.437 -2 E N 0.979 121.078 120.200 -0.167 0.000 2.106 -2 E HA -0.214 4.141 4.350 0.009 0.000 0.192 -2 E C 2.204 178.754 176.600 -0.084 0.000 0.984 -2 E CA 1.140 57.472 56.400 -0.114 0.000 0.806 -2 E CB -0.257 29.392 29.700 -0.084 0.000 0.750 -2 E HN 0.448 nan 8.360 nan 0.000 0.458 -1 I N 1.320 121.845 120.570 -0.074 0.000 2.226 -1 I HA -0.264 3.911 4.170 0.009 0.000 0.245 -1 I C 2.497 178.576 176.117 -0.063 0.000 1.100 -1 I CA 1.212 62.481 61.300 -0.052 0.000 1.374 -1 I CB -0.226 37.752 38.000 -0.036 0.000 1.057 -1 I HN 0.160 nan 8.210 nan 0.000 0.413 0 S N 0.477 116.126 115.700 -0.084 0.000 2.359 0 S HA -0.255 4.220 4.470 0.009 0.000 0.223 0 S C 2.010 176.542 174.600 -0.114 0.000 1.039 0 S CA 1.705 59.846 58.200 -0.097 0.000 1.042 0 S CB -0.282 62.852 63.200 -0.110 0.000 0.915 0 S HN 0.349 nan 8.310 nan 0.000 0.439 1 M N 0.781 120.310 119.600 -0.119 0.000 2.117 1 M HA -0.128 4.357 4.480 0.009 0.000 0.262 1 M C 2.190 178.437 176.300 -0.088 0.000 1.065 1 M CA 1.351 56.577 55.300 -0.123 0.000 1.114 1 M CB -0.515 32.009 32.600 -0.127 0.000 1.361 1 M HN 0.321 nan 8.290 nan 0.000 0.408 2 E N 0.099 120.263 120.200 -0.060 0.000 2.110 2 E HA -0.228 4.127 4.350 0.009 0.000 0.193 2 E C 2.055 178.642 176.600 -0.021 0.000 0.988 2 E CA 1.126 57.510 56.400 -0.026 0.000 0.804 2 E CB -0.096 29.595 29.700 -0.015 0.000 0.745 2 E HN 0.573 nan 8.360 nan 0.000 0.458 3 Q N 0.086 119.862 119.800 -0.039 0.000 2.050 3 Q HA -0.147 4.198 4.340 0.009 0.000 0.202 3 Q C 2.339 178.312 176.000 -0.046 0.000 0.980 3 Q CA 1.434 57.220 55.803 -0.028 0.000 0.840 3 Q CB 0.037 28.752 28.738 -0.038 0.000 0.898 3 Q HN 0.158 nan 8.270 nan 0.000 0.424 4 V N 0.178 120.015 119.914 -0.129 0.000 2.379 4 V HA -0.217 3.908 4.120 0.009 0.000 0.245 4 V C 2.145 178.175 176.094 -0.108 0.000 1.044 4 V CA 1.763 63.924 62.300 -0.232 0.000 1.036 4 V CB -0.436 31.047 31.823 -0.567 0.000 0.664 4 V HN 0.278 nan 8.190 nan 0.000 0.453 5 S N 0.556 116.225 115.700 -0.051 0.000 2.356 5 S HA -0.192 4.283 4.470 0.009 0.000 0.223 5 S C 2.240 176.830 174.600 -0.017 0.000 1.032 5 S CA 1.518 59.727 58.200 0.014 0.000 1.005 5 S CB -0.521 62.702 63.200 0.039 0.000 0.867 5 S HN 0.650 nan 8.310 nan 0.000 0.449 6 A N 1.798 124.613 122.820 -0.008 0.000 1.902 6 A HA -0.112 4.214 4.320 0.009 0.000 0.217 6 A C 2.388 179.862 177.584 -0.184 0.000 1.181 6 A CA 2.022 54.036 52.037 -0.039 0.000 0.623 6 A CB -1.048 17.991 19.000 0.065 0.000 0.818 6 A HN 0.624 nan 8.150 nan 0.000 0.443 7 S N 0.200 115.872 115.700 -0.047 0.000 2.356 7 S HA -0.155 4.320 4.470 0.009 0.000 0.223 7 S C 1.905 176.495 174.600 -0.016 0.000 1.032 7 S CA 1.530 59.748 58.200 0.028 0.000 1.005 7 S CB -0.780 62.564 63.200 0.241 0.000 0.867 7 S HN 0.466 nan 8.310 nan 0.000 0.449 8 I N 2.191 122.774 120.570 0.023 0.000 2.286 8 I HA -0.061 4.114 4.170 0.009 0.000 0.248 8 I C 2.894 178.973 176.117 -0.063 0.000 1.115 8 I CA 1.149 62.515 61.300 0.110 0.000 1.392 8 I CB -0.969 37.148 38.000 0.194 0.000 1.065 8 I HN 0.519 nan 8.210 nan 0.000 0.418 9 G N 0.620 109.176 108.800 -0.407 0.000 2.404 9 G HA2 -0.258 3.708 3.960 0.009 0.000 0.215 9 G HA3 -0.258 3.708 3.960 0.009 0.000 0.215 9 G C 1.371 175.686 174.900 -0.974 0.000 1.174 9 G CA 1.026 45.576 45.100 -0.918 0.000 0.780 9 G HN 0.382 nan 8.290 nan 0.000 0.537 10 N N -0.440 117.665 118.700 -0.992 0.000 2.120 10 N HA -0.109 4.636 4.740 0.009 0.000 0.188 10 N C 1.813 177.096 175.510 -0.379 0.000 1.024 10 N CA 1.195 53.835 53.050 -0.684 0.000 0.852 10 N CB -0.251 37.589 38.487 -1.078 0.000 1.003 10 N HN 0.300 nan 8.380 nan 0.000 0.424 11 F N 1.610 121.356 119.950 -0.341 0.000 2.186 11 F HA -0.108 4.424 4.527 0.007 0.000 0.299 11 F C 2.178 177.949 175.800 -0.048 0.000 1.090 11 F CA 1.126 59.058 58.000 -0.114 0.000 1.307 11 F CB -0.750 38.211 39.000 -0.064 0.000 1.019 11 F HN -0.076 nan 8.300 nan 0.000 0.489 12 T N 0.217 114.706 114.554 -0.108 0.000 2.635 12 T HA -0.193 4.162 4.350 0.009 0.000 0.267 12 T C 2.189 176.903 174.700 0.023 0.000 1.040 12 T CA 1.980 64.082 62.100 0.003 0.000 1.156 12 T CB -0.756 68.167 68.868 0.091 0.000 0.863 12 T HN 0.138 nan 8.240 nan 0.000 0.430 13 V N 1.817 121.725 119.914 -0.011 0.000 2.358 13 V HA -0.140 3.985 4.120 0.009 0.000 0.246 13 V C 2.343 178.464 176.094 0.046 0.000 1.047 13 V CA 1.689 64.024 62.300 0.059 0.000 1.035 13 V CB -0.618 31.234 31.823 0.048 0.000 0.658 13 V HN 0.392 nan 8.190 nan 0.000 0.452 14 D N 0.044 120.415 120.400 -0.047 0.000 2.104 14 D HA -0.163 4.482 4.640 0.009 0.000 0.194 14 D C 1.931 178.143 176.300 -0.146 0.000 0.994 14 D CA 1.219 55.189 54.000 -0.051 0.000 0.830 14 D CB -0.358 40.447 40.800 0.009 0.000 0.959 14 D HN 0.337 nan 8.370 nan 0.000 0.452 15 L N -0.155 120.851 121.223 -0.361 0.000 2.027 15 L HA -0.070 4.275 4.340 0.009 0.000 0.206 15 L C 2.091 178.800 176.870 -0.268 0.000 1.074 15 L CA 1.399 55.937 54.840 -0.503 0.000 0.745 15 L CB -0.819 40.605 42.059 -1.057 0.000 0.898 15 L HN -0.012 nan 8.230 nan 0.000 0.433 16 F N 0.626 120.472 119.950 -0.172 0.000 2.095 16 F HA -0.243 4.289 4.527 0.009 0.000 0.298 16 F C 2.214 178.008 175.800 -0.010 0.000 1.104 16 F CA 2.213 60.233 58.000 0.033 0.000 1.232 16 F CB -0.558 38.545 39.000 0.171 0.000 0.987 16 F HN 0.279 nan 8.300 nan 0.000 0.475 17 N N -0.175 118.545 118.700 0.033 0.000 2.149 17 N HA -0.236 4.509 4.740 0.009 0.000 0.188 17 N C 1.731 177.150 175.510 -0.152 0.000 1.019 17 N CA 1.124 54.141 53.050 -0.056 0.000 0.857 17 N CB -0.176 38.337 38.487 0.043 0.000 0.997 17 N HN 0.128 nan 8.380 nan 0.000 0.426 18 K N 1.677 121.989 120.400 -0.148 0.000 2.031 18 K HA 0.034 4.359 4.320 0.009 0.000 0.205 18 K C 1.805 178.298 176.600 -0.179 0.000 1.049 18 K CA 0.871 57.072 56.287 -0.143 0.000 0.939 18 K CB -0.387 32.035 32.500 -0.130 0.000 0.717 18 K HN 0.077 nan 8.250 nan 0.000 0.438 19 L N 0.888 121.974 121.223 -0.230 0.000 2.079 19 L HA -0.185 4.160 4.340 0.009 0.000 0.210 19 L C 2.078 178.792 176.870 -0.260 0.000 1.081 19 L CA 1.411 56.119 54.840 -0.220 0.000 0.752 19 L CB -0.545 41.391 42.059 -0.205 0.000 0.896 19 L HN 0.299 nan 8.230 nan 0.000 0.433 20 N N 0.136 118.586 118.700 -0.416 0.000 2.331 20 N HA -0.165 4.580 4.740 0.009 0.000 0.180 20 N C 1.669 177.055 175.510 -0.205 0.000 1.019 20 N CA 0.914 53.718 53.050 -0.409 0.000 0.881 20 N CB 0.116 38.218 38.487 -0.642 0.000 0.972 20 N HN 0.307 nan 8.380 nan 0.000 0.435 21 E N -1.186 118.917 120.200 -0.162 0.000 2.085 21 E HA -0.141 4.214 4.350 0.009 0.000 0.194 21 E C 1.291 177.845 176.600 -0.077 0.000 0.994 21 E CA 1.671 58.013 56.400 -0.097 0.000 0.801 21 E CB 0.008 29.660 29.700 -0.081 0.000 0.743 21 E HN 0.421 nan 8.360 nan 0.000 0.453 22 T N 0.825 115.330 114.554 -0.083 0.000 2.901 22 T HA 0.015 4.370 4.350 0.009 0.000 0.252 22 T C 0.906 175.574 174.700 -0.053 0.000 1.035 22 T CA 0.486 62.551 62.100 -0.060 0.000 1.142 22 T CB 0.045 68.880 68.868 -0.056 0.000 0.869 22 T HN 0.015 nan 8.240 nan 0.000 0.442 23 N N 2.123 120.782 118.700 -0.069 0.000 3.209 23 N HA 0.217 4.962 4.740 0.009 0.000 0.309 23 N C 0.899 176.379 175.510 -0.050 0.000 1.384 23 N CA -0.179 52.843 53.050 -0.047 0.000 1.173 23 N CB 0.410 38.874 38.487 -0.038 0.000 1.460 23 N HN 0.138 nan 8.380 nan 0.000 0.534 24 R N 0.734 121.209 120.500 -0.042 0.000 2.193 24 R HA -0.093 4.252 4.340 0.009 0.000 0.229 24 R C 0.408 176.713 176.300 0.008 0.000 1.110 24 R CA 1.080 57.164 56.100 -0.026 0.000 0.988 24 R CB -0.024 30.266 30.300 -0.016 0.000 0.871 24 R HN 0.471 nan 8.270 nan 0.000 0.458 25 D N -0.828 119.580 120.400 0.013 0.000 2.479 25 D HA 0.101 4.746 4.640 0.009 0.000 0.218 25 D C -0.054 176.269 176.300 0.037 0.000 1.177 25 D CA -0.152 53.865 54.000 0.029 0.000 0.830 25 D CB 0.307 41.120 40.800 0.022 0.000 1.014 25 D HN -0.054 nan 8.370 nan 0.000 0.503 26 K N 0.149 120.573 120.400 0.040 0.000 2.281 26 K HA 0.395 4.720 4.320 0.009 0.000 0.242 26 K C -0.425 176.221 176.600 0.077 0.000 0.971 26 K CA -0.842 55.475 56.287 0.050 0.000 0.834 26 K CB 1.731 34.257 32.500 0.044 0.000 1.181 26 K HN -0.115 nan 8.250 nan 0.000 0.435 27 N N 0.975 119.721 118.700 0.078 0.000 2.492 27 N HA 0.136 4.881 4.740 0.009 0.000 0.262 27 N C -0.786 174.824 175.510 0.167 0.000 1.202 27 N CA 0.226 53.339 53.050 0.104 0.000 0.926 27 N CB 0.429 38.959 38.487 0.072 0.000 1.078 27 N HN 0.247 nan 8.380 nan 0.000 0.454 28 I N 2.110 122.825 120.570 0.242 0.000 2.498 28 I HA 0.425 4.600 4.170 0.009 0.000 0.290 28 I C -1.235 175.127 176.117 0.408 0.000 1.032 28 I CA -0.705 60.795 61.300 0.334 0.000 1.073 28 I CB 1.312 39.555 38.000 0.405 0.000 1.251 28 I HN 0.426 nan 8.210 nan 0.000 0.426 29 F N 8.508 128.601 119.950 0.238 0.000 2.588 29 F HA 0.666 5.198 4.527 0.008 0.000 0.318 29 F C -1.626 174.357 175.800 0.305 0.000 1.155 29 F CA -0.900 57.185 58.000 0.141 0.000 0.967 29 F CB 1.436 40.500 39.000 0.106 0.000 1.236 29 F HN 0.310 nan 8.300 nan 0.000 0.455 30 F N 1.943 121.602 119.950 -0.486 0.000 2.686 30 F HA 0.655 5.187 4.527 0.008 0.000 0.311 30 F C -1.220 174.371 175.800 -0.348 0.000 1.128 30 F CA -1.396 56.475 58.000 -0.214 0.000 0.946 30 F CB 1.272 40.237 39.000 -0.058 0.000 1.336 30 F HN 0.309 nan 8.300 nan 0.000 0.457 31 S N 2.933 118.766 115.700 0.221 0.000 2.434 31 S HA 0.400 4.875 4.470 0.009 0.000 0.318 31 S C -1.624 173.176 174.600 0.333 0.000 1.062 31 S CA -1.664 56.661 58.200 0.209 0.000 1.116 31 S CB 0.539 63.937 63.200 0.329 0.000 0.977 31 S HN 0.558 nan 8.310 nan 0.000 0.480 32 P HA -0.088 nan 4.420 nan 0.000 0.221 32 P C 1.604 179.156 177.300 0.419 0.000 1.150 32 P CA 0.588 63.958 63.100 0.450 0.000 0.800 32 P CB -0.150 31.823 31.700 0.455 0.000 0.787 33 W N 1.411 122.856 121.300 0.242 0.000 2.335 33 W HA -0.152 4.512 4.660 0.008 0.000 0.311 33 W C 2.129 178.839 176.519 0.319 0.000 1.213 33 W CA 1.846 59.360 57.345 0.282 0.000 1.274 33 W CB -0.887 28.697 29.460 0.207 0.000 1.148 33 W HN 0.010 nan 8.180 nan 0.000 0.498 34 S N 0.656 116.507 115.700 0.252 0.000 2.368 34 S HA -0.175 4.300 4.470 0.009 0.000 0.224 34 S C 1.903 176.551 174.600 0.082 0.000 1.029 34 S CA 1.651 59.948 58.200 0.163 0.000 0.988 34 S CB -0.479 62.952 63.200 0.384 0.000 0.838 34 S HN 0.290 nan 8.310 nan 0.000 0.462 35 I N 0.610 121.238 120.570 0.098 0.000 2.179 35 I HA -0.120 4.055 4.170 0.009 0.000 0.242 35 I C 2.763 178.864 176.117 -0.026 0.000 1.088 35 I CA 1.336 62.662 61.300 0.042 0.000 1.357 35 I CB -0.512 37.521 38.000 0.055 0.000 1.051 35 I HN 0.314 nan 8.210 nan 0.000 0.409 36 S N -0.069 115.624 115.700 -0.010 0.000 2.383 36 S HA -0.159 4.316 4.470 0.009 0.000 0.227 36 S C 2.249 176.749 174.600 -0.166 0.000 1.026 36 S CA 1.749 59.912 58.200 -0.062 0.000 0.981 36 S CB -0.131 63.172 63.200 0.171 0.000 0.818 36 S HN 0.365 nan 8.310 nan 0.000 0.472 37 S N 1.312 116.835 115.700 -0.294 0.000 2.359 37 S HA -0.063 4.412 4.470 0.009 0.000 0.224 37 S C 2.202 176.524 174.600 -0.463 0.000 1.035 37 S CA 1.199 59.061 58.200 -0.563 0.000 1.018 37 S CB -0.662 62.196 63.200 -0.569 0.000 0.876 37 S HN 0.684 nan 8.310 nan 0.000 0.448 38 A N 1.229 123.901 122.820 -0.247 0.000 1.902 38 A HA 0.006 4.332 4.320 0.009 0.000 0.217 38 A C 2.073 179.542 177.584 -0.191 0.000 1.181 38 A CA 1.192 53.124 52.037 -0.174 0.000 0.623 38 A CB -0.696 18.282 19.000 -0.037 0.000 0.818 38 A HN 0.468 nan 8.150 nan 0.000 0.443 39 L N -0.990 120.140 121.223 -0.156 0.000 2.291 39 L HA -0.081 4.264 4.340 0.009 0.000 0.214 39 L C 2.904 179.749 176.870 -0.041 0.000 1.120 39 L CA 0.650 55.432 54.840 -0.096 0.000 0.799 39 L CB -0.390 41.599 42.059 -0.117 0.000 0.925 39 L HN 0.447 nan 8.230 nan 0.000 0.446 40 A N 0.038 122.740 122.820 -0.197 0.000 1.898 40 A HA -0.152 4.173 4.320 0.009 0.000 0.214 40 A C 2.148 179.574 177.584 -0.263 0.000 1.183 40 A CA 0.959 52.861 52.037 -0.225 0.000 0.622 40 A CB -0.479 17.992 19.000 -0.882 0.000 0.824 40 A HN 0.287 nan 8.150 nan 0.000 0.444 41 L N 0.101 120.914 121.223 -0.684 0.000 2.131 41 L HA -0.102 4.243 4.340 0.009 0.000 0.210 41 L C 2.293 179.089 176.870 -0.124 0.000 1.092 41 L CA 2.650 57.097 54.840 -0.655 0.000 0.759 41 L CB -0.873 40.773 42.059 -0.689 0.000 0.903 41 L HN 0.374 nan 8.230 nan 0.000 0.435 42 T N -1.932 112.583 114.554 -0.064 0.000 2.851 42 T HA -0.186 4.169 4.350 0.009 0.000 0.262 42 T C 1.640 176.469 174.700 0.215 0.000 1.043 42 T CA 1.384 63.498 62.100 0.024 0.000 1.140 42 T CB -0.541 68.308 68.868 -0.030 0.000 0.872 42 T HN 0.420 nan 8.240 nan 0.000 0.446 43 Y N 2.062 122.434 120.300 0.120 0.000 2.256 43 Y HA -0.119 4.436 4.550 0.008 0.000 0.288 43 Y C 2.053 178.097 175.900 0.240 0.000 1.155 43 Y CA 0.543 58.760 58.100 0.195 0.000 1.203 43 Y CB -0.611 37.997 38.460 0.246 0.000 0.980 43 Y HN 0.088 nan 8.280 nan 0.000 0.530 44 L N 0.522 121.877 121.223 0.219 0.000 2.129 44 L HA -0.161 4.184 4.340 0.009 0.000 0.212 44 L C 2.222 179.162 176.870 0.116 0.000 1.087 44 L CA 2.226 57.096 54.840 0.050 0.000 0.757 44 L CB -1.006 41.034 42.059 -0.033 0.000 0.896 44 L HN 0.278 nan 8.230 nan 0.000 0.434 45 A N -1.187 121.733 122.820 0.166 0.000 2.195 45 A HA 0.546 4.871 4.320 0.009 0.000 0.210 45 A C 1.321 178.954 177.584 0.082 0.000 1.165 45 A CA 0.391 52.444 52.037 0.026 0.000 0.806 45 A CB -0.695 18.147 19.000 -0.264 0.000 0.847 45 A HN 0.424 nan 8.150 nan 0.000 0.482 46 A N 0.385 123.235 122.820 0.051 0.000 2.351 46 A HA 0.596 4.921 4.320 0.009 0.000 0.257 46 A C 0.123 177.600 177.584 -0.179 0.000 1.087 46 A CA -0.139 51.829 52.037 -0.116 0.000 0.798 46 A CB 0.434 19.383 19.000 -0.085 0.000 1.033 46 A HN 0.207 nan 8.150 nan 0.000 0.488 47 K N 0.164 120.437 120.400 -0.210 0.000 2.480 47 K HA 0.652 4.977 4.320 0.009 0.000 0.258 47 K C 0.592 177.110 176.600 -0.137 0.000 0.990 47 K CA 0.166 56.366 56.287 -0.145 0.000 0.857 47 K CB 1.607 34.040 32.500 -0.113 0.000 1.384 47 K HN 1.653 nan 8.250 nan 0.000 0.446 48 G N 1.035 109.784 108.800 -0.086 0.000 2.582 48 G HA2 -0.388 3.577 3.960 0.009 0.000 0.288 48 G HA3 -0.388 3.577 3.960 0.009 0.000 0.288 48 G C 0.898 175.761 174.900 -0.061 0.000 1.247 48 G CA 1.031 46.090 45.100 -0.068 0.000 0.972 48 G HN 0.704 nan 8.290 nan 0.000 0.557 49 S N -1.400 114.261 115.700 -0.065 0.000 2.423 49 S HA -0.065 4.410 4.470 0.009 0.000 0.231 49 S C 2.207 176.764 174.600 -0.073 0.000 1.014 49 S CA 2.422 60.590 58.200 -0.053 0.000 0.965 49 S CB -0.662 62.509 63.200 -0.048 0.000 0.785 49 S HN 1.062 nan 8.310 nan 0.000 0.495 50 T N 2.772 117.245 114.554 -0.134 0.000 2.684 50 T HA 0.006 4.361 4.350 0.009 0.000 0.267 50 T C 2.216 176.850 174.700 -0.110 0.000 1.036 50 T CA 1.584 63.564 62.100 -0.200 0.000 1.148 50 T CB -0.833 67.778 68.868 -0.428 0.000 0.863 50 T HN 0.658 nan 8.240 nan 0.000 0.436 51 A N 1.720 124.503 122.820 -0.063 0.000 1.873 51 A HA -0.060 4.266 4.320 0.009 0.000 0.215 51 A C 2.283 180.000 177.584 0.222 0.000 1.186 51 A CA 1.864 53.974 52.037 0.122 0.000 0.616 51 A CB -0.619 18.383 19.000 0.003 0.000 0.823 51 A HN 0.486 nan 8.150 nan 0.000 0.442 52 R N 0.125 120.682 120.500 0.094 0.000 2.105 52 R HA -0.186 4.159 4.340 0.009 0.000 0.239 52 R C 1.858 178.163 176.300 0.009 0.000 1.135 52 R CA 2.002 58.141 56.100 0.065 0.000 0.967 52 R CB -0.375 29.939 30.300 0.023 0.000 0.861 52 R HN 0.648 nan 8.270 nan 0.000 0.442 53 E N 0.207 120.400 120.200 -0.011 0.000 2.051 53 E HA -0.194 4.161 4.350 0.009 0.000 0.192 53 E C 2.150 178.704 176.600 -0.078 0.000 0.991 53 E CA 1.871 58.247 56.400 -0.040 0.000 0.799 53 E CB -0.110 29.574 29.700 -0.027 0.000 0.748 53 E HN 0.407 nan 8.360 nan 0.000 0.449 54 M N 0.416 119.982 119.600 -0.057 0.000 2.080 54 M HA -0.183 4.302 4.480 0.009 0.000 0.260 54 M C 2.521 178.591 176.300 -0.382 0.000 1.068 54 M CA 1.522 56.734 55.300 -0.147 0.000 1.109 54 M CB -0.297 32.309 32.600 0.011 0.000 1.342 54 M HN 0.141 nan 8.290 nan 0.000 0.405 55 A N -0.151 122.488 122.820 -0.302 0.000 1.933 55 A HA -0.172 4.153 4.320 0.009 0.000 0.218 55 A C 1.962 179.326 177.584 -0.366 0.000 1.175 55 A CA 2.193 53.993 52.037 -0.394 0.000 0.628 55 A CB -0.793 18.164 19.000 -0.071 0.000 0.814 55 A HN 0.454 nan 8.150 nan 0.000 0.444 56 E N -0.847 119.194 120.200 -0.264 0.000 2.046 56 E HA -0.095 4.261 4.350 0.009 0.000 0.190 56 E C 2.131 178.497 176.600 -0.390 0.000 0.982 56 E CA 1.262 57.491 56.400 -0.285 0.000 0.800 56 E CB -0.537 29.059 29.700 -0.174 0.000 0.756 56 E HN 0.436 nan 8.360 nan 0.000 0.449 57 V N 0.665 120.408 119.914 -0.285 0.000 2.358 57 V HA -0.120 4.006 4.120 0.009 0.000 0.246 57 V C 2.537 178.524 176.094 -0.179 0.000 1.047 57 V CA 1.815 64.010 62.300 -0.174 0.000 1.035 57 V CB -0.459 31.318 31.823 -0.077 0.000 0.658 57 V HN 0.397 nan 8.190 nan 0.000 0.452 58 L N -1.054 119.839 121.223 -0.550 0.000 2.591 58 L HA 0.184 4.529 4.340 0.009 0.000 0.228 58 L C 0.706 177.192 176.870 -0.641 0.000 1.133 58 L CA 0.316 54.613 54.840 -0.905 0.000 0.880 58 L CB -0.502 40.522 42.059 -1.725 0.000 1.033 58 L HN 0.454 nan 8.230 nan 0.000 0.450 59 H N -1.298 117.478 119.070 -0.490 0.000 2.819 59 H HA -0.140 4.421 4.556 0.008 0.000 0.315 59 H C 0.019 175.318 175.328 -0.048 0.000 1.242 59 H CA 0.380 56.306 56.048 -0.204 0.000 1.157 59 H CB -1.996 27.715 29.762 -0.084 0.000 1.451 59 H HN 0.280 nan 8.280 nan 0.000 0.430 90 Q N 0.874 120.716 119.800 0.070 0.000 2.373 90 Q HA 0.303 4.648 4.340 0.009 0.000 0.206 90 Q C 0.137 176.161 176.000 0.039 0.000 0.942 90 Q CA 0.269 56.103 55.803 0.053 0.000 0.953 90 Q CB 0.819 29.591 28.738 0.056 0.000 1.022 90 Q HN 0.134 nan 8.270 nan 0.000 0.502 91 A N 0.508 123.353 122.820 0.041 0.000 2.331 91 A HA 0.272 4.597 4.320 0.009 0.000 0.320 91 A C 0.781 178.374 177.584 0.016 0.000 1.138 91 A CA -0.523 51.520 52.037 0.009 0.000 0.790 91 A CB 1.321 20.304 19.000 -0.029 0.000 1.206 91 A HN -0.006 nan 8.150 nan 0.000 0.470 92 E N 1.538 121.743 120.200 0.009 0.000 2.152 92 E HA -0.109 4.246 4.350 0.009 0.000 0.192 92 E C -0.328 176.278 176.600 0.011 0.000 0.983 92 E CA 0.932 57.344 56.400 0.020 0.000 0.818 92 E CB 0.228 29.941 29.700 0.022 0.000 0.758 92 E HN 0.627 nan 8.360 nan 0.000 0.467 93 N N 0.245 118.927 118.700 -0.030 0.000 2.722 93 N HA 0.057 4.802 4.740 0.009 0.000 0.242 93 N C 0.217 175.617 175.510 -0.182 0.000 1.398 93 N CA -0.120 52.887 53.050 -0.072 0.000 0.755 93 N CB -0.050 38.417 38.487 -0.034 0.000 1.268 93 N HN -0.011 nan 8.380 nan 0.000 0.522 94 I N 1.717 122.123 120.570 -0.274 0.000 2.315 94 I HA -0.243 3.932 4.170 0.009 0.000 0.251 94 I C 1.721 177.648 176.117 -0.317 0.000 1.125 94 I CA 1.690 62.776 61.300 -0.357 0.000 1.392 94 I CB -0.008 37.642 38.000 -0.582 0.000 1.065 94 I HN 0.517 nan 8.210 nan 0.000 0.424 95 H N -1.170 117.743 119.070 -0.262 0.000 2.456 95 H HA -0.089 4.473 4.556 0.009 0.000 0.296 95 H C 2.470 177.450 175.328 -0.581 0.000 1.079 95 H CA 1.335 57.081 56.048 -0.504 0.000 1.322 95 H CB -0.526 28.646 29.762 -0.983 0.000 1.388 95 H HN 0.391 nan 8.280 nan 0.000 0.538 96 S N 0.340 115.822 115.700 -0.363 0.000 2.355 96 S HA -0.085 4.390 4.470 0.009 0.000 0.222 96 S C 2.528 177.094 174.600 -0.056 0.000 1.031 96 S CA 1.121 59.271 58.200 -0.082 0.000 0.993 96 S CB -0.532 62.654 63.200 -0.023 0.000 0.859 96 S HN 0.551 nan 8.310 nan 0.000 0.453 97 G N 0.028 108.763 108.800 -0.109 0.000 2.440 97 G HA2 -0.148 3.817 3.960 0.009 0.000 0.218 97 G HA3 -0.148 3.817 3.960 0.009 0.000 0.218 97 G C 1.202 176.027 174.900 -0.125 0.000 1.154 97 G CA 0.775 45.789 45.100 -0.143 0.000 0.767 97 G HN 0.560 nan 8.290 nan 0.000 0.552 98 F N 0.947 120.843 119.950 -0.089 0.000 2.134 98 F HA 0.013 4.547 4.527 0.011 0.000 0.299 98 F C 2.656 178.459 175.800 0.005 0.000 1.097 98 F CA 1.723 59.727 58.000 0.007 0.000 1.264 98 F CB -0.037 38.903 39.000 -0.099 0.000 1.001 98 F HN 0.076 nan 8.300 nan 0.000 0.479 99 K N 0.310 120.756 120.400 0.078 0.000 2.032 99 K HA -0.212 4.113 4.320 0.009 0.000 0.209 99 K C 1.981 178.595 176.600 0.022 0.000 1.048 99 K CA 1.771 58.092 56.287 0.057 0.000 0.927 99 K CB -0.068 32.512 32.500 0.134 0.000 0.712 99 K HN 0.091 nan 8.250 nan 0.000 0.441 100 E N 0.804 120.984 120.200 -0.033 0.000 2.107 100 E HA -0.133 4.222 4.350 0.009 0.000 0.191 100 E C 2.163 178.636 176.600 -0.212 0.000 0.982 100 E CA 0.778 57.112 56.400 -0.110 0.000 0.809 100 E CB -0.142 29.473 29.700 -0.142 0.000 0.756 100 E HN 0.384 nan 8.360 nan 0.000 0.459 101 L N 0.319 121.387 121.223 -0.258 0.000 2.056 101 L HA -0.170 4.175 4.340 0.009 0.000 0.207 101 L C 2.530 178.842 176.870 -0.930 0.000 1.078 101 L CA 0.543 54.982 54.840 -0.669 0.000 0.749 101 L CB -0.408 41.348 42.059 -0.505 0.000 0.901 101 L HN 0.141 nan 8.230 nan 0.000 0.433 102 L N -0.399 120.705 121.223 -0.198 0.000 2.012 102 L HA -0.213 4.132 4.340 0.009 0.000 0.210 102 L C 2.474 179.328 176.870 -0.027 0.000 1.073 102 L CA 2.132 57.015 54.840 0.071 0.000 0.748 102 L CB -0.768 41.497 42.059 0.343 0.000 0.891 102 L HN 0.162 nan 8.230 nan 0.000 0.431 103 T N -0.149 114.372 114.554 -0.055 0.000 2.720 103 T HA -0.192 4.163 4.350 0.009 0.000 0.268 103 T C 1.902 176.563 174.700 -0.064 0.000 1.037 103 T CA 1.438 63.520 62.100 -0.030 0.000 1.144 103 T CB -0.601 68.251 68.868 -0.026 0.000 0.864 103 T HN 0.541 nan 8.240 nan 0.000 0.444 104 A N 0.946 123.654 122.820 -0.187 0.000 1.877 104 A HA -0.005 4.320 4.320 0.009 0.000 0.216 104 A C 2.073 179.664 177.584 0.011 0.000 1.186 104 A CA 1.343 53.295 52.037 -0.142 0.000 0.620 104 A CB -1.065 17.786 19.000 -0.247 0.000 0.822 104 A HN 0.599 nan 8.150 nan 0.000 0.443 105 F N -0.071 119.853 119.950 -0.043 0.000 2.186 105 F HA -0.132 4.400 4.527 0.008 0.000 0.299 105 F C 1.812 177.626 175.800 0.022 0.000 1.090 105 F CA 0.660 58.634 58.000 -0.044 0.000 1.307 105 F CB -0.185 38.719 39.000 -0.159 0.000 1.019 105 F HN 0.193 nan 8.300 nan 0.000 0.489 106 N N 0.636 119.456 118.700 0.199 0.000 2.398 106 N HA -0.020 4.725 4.740 0.009 0.000 0.188 106 N C 0.227 175.788 175.510 0.085 0.000 1.122 106 N CA 0.231 53.368 53.050 0.146 0.000 0.866 106 N CB -0.203 38.372 38.487 0.146 0.000 0.970 106 N HN 0.014 nan 8.380 nan 0.000 0.462 107 K N 2.830 123.271 120.400 0.069 0.000 2.484 107 K HA 0.061 4.386 4.320 0.009 0.000 0.280 107 K C -2.288 174.318 176.600 0.010 0.000 1.013 107 K CA -1.222 55.086 56.287 0.036 0.000 1.029 107 K CB 0.275 32.795 32.500 0.033 0.000 0.902 107 K HN 0.032 nan 8.250 nan 0.000 0.481 108 P HA 0.053 nan 4.420 nan 0.000 0.268 108 P C -1.123 176.148 177.300 -0.048 0.000 1.204 108 P CA 0.161 63.251 63.100 -0.017 0.000 0.768 108 P CB 0.546 32.243 31.700 -0.004 0.000 0.842 109 R N 1.464 121.912 120.500 -0.086 0.000 2.716 109 R HA 0.424 4.769 4.340 0.009 0.000 0.271 109 R C -0.198 176.026 176.300 -0.125 0.000 1.028 109 R CA -0.881 55.140 56.100 -0.131 0.000 0.883 109 R CB 0.307 30.447 30.300 -0.266 0.000 1.250 109 R HN 0.234 nan 8.270 nan 0.000 0.465 110 N N -0.264 118.372 118.700 -0.107 0.000 2.159 110 N HA -0.067 4.678 4.740 0.009 0.000 0.217 110 N C -0.040 175.436 175.510 -0.056 0.000 1.223 110 N CA -0.050 52.959 53.050 -0.069 0.000 0.896 110 N CB -0.025 38.443 38.487 -0.033 0.000 1.064 110 N HN 0.728 nan 8.380 nan 0.000 0.518 111 N N 0.122 118.774 118.700 -0.080 0.000 2.392 111 N HA -0.000 4.745 4.740 0.009 0.000 0.177 111 N C -0.147 175.442 175.510 0.132 0.000 1.066 111 N CA 0.221 53.291 53.050 0.034 0.000 0.895 111 N CB -0.057 38.497 38.487 0.112 0.000 0.988 111 N HN 0.500 nan 8.380 nan 0.000 0.457 112 Y N -3.212 117.092 120.300 0.007 0.000 2.750 112 Y HA 0.676 5.231 4.550 0.008 0.000 0.335 112 Y C -1.243 174.648 175.900 -0.015 0.000 1.252 112 Y CA -1.473 56.607 58.100 -0.034 0.000 1.064 112 Y CB 0.510 38.944 38.460 -0.043 0.000 1.321 112 Y HN -0.214 nan 8.280 nan 0.000 0.451 113 S N 1.850 117.641 115.700 0.151 0.000 2.429 113 S HA 0.685 5.160 4.470 0.009 0.000 0.302 113 S C -1.508 173.253 174.600 0.268 0.000 1.115 113 S CA -0.450 57.835 58.200 0.142 0.000 1.095 113 S CB 0.893 64.209 63.200 0.193 0.000 0.987 113 S HN 0.665 nan 8.310 nan 0.000 0.474 114 L N 5.283 126.664 121.223 0.264 0.000 2.562 114 L HA 0.647 4.992 4.340 0.009 0.000 0.266 114 L C -0.953 176.051 176.870 0.225 0.000 0.949 114 L CA -0.257 54.766 54.840 0.306 0.000 0.879 114 L CB 1.288 43.587 42.059 0.401 0.000 1.278 114 L HN 0.821 nan 8.230 nan 0.000 0.404 115 R N 2.745 123.389 120.500 0.239 0.000 2.680 115 R HA 0.894 5.239 4.340 0.009 0.000 0.269 115 R C -1.642 174.817 176.300 0.266 0.000 1.026 115 R CA -0.808 55.429 56.100 0.228 0.000 0.889 115 R CB 1.857 32.267 30.300 0.183 0.000 1.241 115 R HN 0.509 nan 8.270 nan 0.000 0.463 116 S N 0.169 116.056 115.700 0.311 0.000 2.541 116 S HA 0.873 5.348 4.470 0.009 0.000 0.271 116 S C -1.768 173.059 174.600 0.379 0.000 1.133 116 S CA -0.121 58.324 58.200 0.409 0.000 0.876 116 S CB 1.998 65.597 63.200 0.664 0.000 1.105 116 S HN 0.957 nan 8.310 nan 0.000 0.470 117 A N 3.358 126.406 122.820 0.380 0.000 2.572 117 A HA 0.837 5.162 4.320 0.009 0.000 0.295 117 A C -1.405 176.491 177.584 0.519 0.000 1.072 117 A CA -0.843 51.443 52.037 0.414 0.000 0.691 117 A CB 1.407 20.632 19.000 0.375 0.000 1.291 117 A HN 0.746 nan 8.150 nan 0.000 0.404 118 N N 0.412 119.384 118.700 0.453 0.000 2.312 118 N HA 0.736 5.482 4.740 0.009 0.000 0.296 118 N C -0.895 174.672 175.510 0.095 0.000 1.193 118 N CA -0.533 52.704 53.050 0.312 0.000 0.773 118 N CB 2.428 41.036 38.487 0.202 0.000 1.435 118 N HN 0.736 nan 8.380 nan 0.000 0.484 119 R N 0.522 120.934 120.500 -0.146 0.000 2.629 119 R HA 0.500 4.845 4.340 0.009 0.000 0.266 119 R C -1.568 174.498 176.300 -0.390 0.000 1.051 119 R CA -0.503 55.310 56.100 -0.479 0.000 0.895 119 R CB 1.570 31.155 30.300 -1.191 0.000 1.246 119 R HN 0.537 nan 8.270 nan 0.000 0.459 120 I N 3.790 124.103 120.570 -0.427 0.000 2.362 120 I HA 0.319 4.495 4.170 0.009 0.000 0.289 120 I C -1.058 174.818 176.117 -0.401 0.000 0.994 120 I CA -0.631 60.515 61.300 -0.257 0.000 1.158 120 I CB 1.291 39.222 38.000 -0.116 0.000 1.315 120 I HN 0.517 nan 8.210 nan 0.000 0.451 121 Y N 5.759 126.036 120.300 -0.038 0.000 2.342 121 Y HA 0.564 5.120 4.550 0.009 0.000 0.338 121 Y C -0.077 175.920 175.900 0.162 0.000 0.965 121 Y CA -0.707 57.407 58.100 0.023 0.000 1.159 121 Y CB 1.860 40.371 38.460 0.085 0.000 1.157 121 Y HN 0.287 nan 8.280 nan 0.000 0.486 122 V N 3.773 123.820 119.914 0.221 0.000 2.735 122 V HA 0.433 4.558 4.120 0.009 0.000 0.310 122 V C -0.698 175.519 176.094 0.205 0.000 1.061 122 V CA -0.928 61.510 62.300 0.230 0.000 0.913 122 V CB 1.907 33.801 31.823 0.117 0.000 1.005 122 V HN 0.746 nan 8.190 nan 0.000 0.428 123 E N 4.693 125.095 120.200 0.338 0.000 2.493 123 E HA -0.010 4.345 4.350 0.009 0.000 0.255 123 E C 1.276 177.968 176.600 0.153 0.000 0.999 123 E CA 0.836 57.398 56.400 0.270 0.000 0.934 123 E CB 0.888 30.788 29.700 0.333 0.000 0.940 123 E HN 0.742 nan 8.360 nan 0.000 0.473 124 K N 2.497 122.931 120.400 0.056 0.000 2.152 124 K HA -0.164 4.161 4.320 0.009 0.000 0.206 124 K C 1.214 177.851 176.600 0.061 0.000 1.048 124 K CA 1.794 58.103 56.287 0.037 0.000 0.933 124 K CB -0.206 32.291 32.500 -0.004 0.000 0.721 124 K HN 0.407 nan 8.250 nan 0.000 0.447 125 T N -0.343 114.262 114.554 0.086 0.000 3.055 125 T HA -0.085 4.270 4.350 0.009 0.000 0.265 125 T C -0.267 174.483 174.700 0.084 0.000 1.111 125 T CA 0.428 62.571 62.100 0.072 0.000 1.118 125 T CB -0.212 68.700 68.868 0.074 0.000 0.909 125 T HN 0.274 nan 8.240 nan 0.000 0.501 126 Y N 2.447 122.765 120.300 0.030 0.000 2.383 126 Y HA 0.512 5.067 4.550 0.008 0.000 0.344 126 Y C 0.159 176.068 175.900 0.014 0.000 0.986 126 Y CA -1.503 56.611 58.100 0.023 0.000 1.175 126 Y CB 0.242 38.722 38.460 0.035 0.000 1.152 126 Y HN 0.077 nan 8.280 nan 0.000 0.511 127 A N 7.465 130.205 122.820 -0.133 0.000 2.328 127 A HA 0.548 4.873 4.320 0.009 0.000 0.284 127 A C -1.019 176.587 177.584 0.036 0.000 1.160 127 A CA -0.546 51.468 52.037 -0.038 0.000 0.818 127 A CB 0.115 19.058 19.000 -0.095 0.000 1.087 127 A HN 0.846 nan 8.150 nan 0.000 0.504 128 L N 2.653 123.941 121.223 0.109 0.000 2.331 128 L HA 0.395 4.740 4.340 0.009 0.000 0.275 128 L C -0.192 176.730 176.870 0.086 0.000 1.022 128 L CA -0.731 54.185 54.840 0.127 0.000 0.812 128 L CB 1.423 43.580 42.059 0.165 0.000 1.257 128 L HN 0.597 nan 8.230 nan 0.000 0.435 129 L N 4.035 125.308 121.223 0.083 0.000 2.490 129 L HA 0.056 4.402 4.340 0.009 0.000 0.274 129 L C -1.089 175.840 176.870 0.098 0.000 1.201 129 L CA -1.176 53.708 54.840 0.072 0.000 0.869 129 L CB 0.371 42.470 42.059 0.067 0.000 1.123 129 L HN 0.466 nan 8.230 nan 0.000 0.484 130 P HA -0.116 nan 4.420 nan 0.000 0.220 130 P C 1.344 178.667 177.300 0.039 0.000 1.148 130 P CA 1.095 64.219 63.100 0.041 0.000 0.803 130 P CB 0.128 31.839 31.700 0.018 0.000 0.782 131 T N -0.850 113.735 114.554 0.052 0.000 2.746 131 T HA -0.193 4.162 4.350 0.009 0.000 0.267 131 T C 1.688 176.426 174.700 0.065 0.000 1.039 131 T CA 1.214 63.341 62.100 0.046 0.000 1.142 131 T CB -1.053 67.846 68.868 0.051 0.000 0.866 131 T HN 0.067 nan 8.240 nan 0.000 0.444 132 Y N 1.634 121.928 120.300 -0.010 0.000 2.181 132 Y HA -0.047 4.509 4.550 0.009 0.000 0.288 132 Y C 1.958 177.848 175.900 -0.016 0.000 1.146 132 Y CA 1.065 59.157 58.100 -0.014 0.000 1.164 132 Y CB -0.475 37.978 38.460 -0.011 0.000 0.982 132 Y HN 0.135 nan 8.280 nan 0.000 0.515 133 L N 0.346 121.549 121.223 -0.033 0.000 2.093 133 L HA -0.235 4.111 4.340 0.009 0.000 0.208 133 L C 2.714 179.497 176.870 -0.145 0.000 1.085 133 L CA 1.789 56.560 54.840 -0.114 0.000 0.755 133 L CB -0.741 41.313 42.059 -0.008 0.000 0.904 133 L HN 0.394 nan 8.230 nan 0.000 0.435 134 Q N 0.162 119.900 119.800 -0.103 0.000 2.123 134 Q HA -0.158 4.187 4.340 0.009 0.000 0.199 134 Q C 2.166 178.065 176.000 -0.167 0.000 0.966 134 Q CA 1.281 57.017 55.803 -0.112 0.000 0.845 134 Q CB -0.342 28.349 28.738 -0.079 0.000 0.907 134 Q HN 0.495 nan 8.270 nan 0.000 0.439 135 L N 1.045 122.166 121.223 -0.171 0.000 2.109 135 L HA -0.081 4.264 4.340 0.009 0.000 0.207 135 L C 2.519 179.304 176.870 -0.142 0.000 1.086 135 L CA 1.000 55.733 54.840 -0.180 0.000 0.760 135 L CB -0.329 41.705 42.059 -0.041 0.000 0.910 135 L HN 0.212 nan 8.230 nan 0.000 0.437 136 S N -0.203 115.349 115.700 -0.247 0.000 2.382 136 S HA -0.216 4.259 4.470 0.009 0.000 0.228 136 S C 1.960 176.531 174.600 -0.049 0.000 1.027 136 S CA 1.403 59.500 58.200 -0.173 0.000 0.991 136 S CB -0.123 62.791 63.200 -0.478 0.000 0.823 136 S HN 0.329 nan 8.310 nan 0.000 0.469 137 K N 1.548 121.878 120.400 -0.116 0.000 2.025 137 K HA -0.076 4.249 4.320 0.009 0.000 0.207 137 K C 2.222 178.762 176.600 -0.100 0.000 1.049 137 K CA 1.235 57.473 56.287 -0.082 0.000 0.933 137 K CB -0.146 32.300 32.500 -0.091 0.000 0.714 137 K HN 0.177 nan 8.250 nan 0.000 0.438 138 K N -0.269 120.007 120.400 -0.206 0.000 1.991 138 K HA -0.199 4.126 4.320 0.009 0.000 0.212 138 K C 1.942 178.360 176.600 -0.304 0.000 1.049 138 K CA 2.001 58.085 56.287 -0.338 0.000 0.932 138 K CB -0.238 31.882 32.500 -0.633 0.000 0.717 138 K HN 0.268 nan 8.250 nan 0.000 0.441 139 Y N -2.004 118.210 120.300 -0.144 0.000 2.448 139 Y HA -0.056 4.499 4.550 0.008 0.000 0.289 139 Y C 1.138 176.696 175.900 -0.570 0.000 1.114 139 Y CA 0.419 58.304 58.100 -0.359 0.000 1.235 139 Y CB 0.398 38.565 38.460 -0.488 0.000 1.045 139 Y HN 0.126 nan 8.280 nan 0.000 0.554 140 Y N -1.076 119.302 120.300 0.130 0.000 2.527 140 Y HA 0.228 4.783 4.550 0.009 0.000 0.247 140 Y C 0.427 176.378 175.900 0.085 0.000 1.138 140 Y CA -0.898 57.262 58.100 0.100 0.000 1.228 140 Y CB 0.421 38.893 38.460 0.020 0.000 1.252 140 Y HN -0.202 nan 8.280 nan 0.000 0.531 141 K N 0.196 120.677 120.400 0.136 0.000 3.035 141 K HA -0.202 4.123 4.320 0.009 0.000 0.262 141 K C -0.054 176.602 176.600 0.093 0.000 1.024 141 K CA 0.444 56.790 56.287 0.098 0.000 0.748 141 K CB -1.482 31.093 32.500 0.124 0.000 1.247 141 K HN 0.287 nan 8.250 nan 0.000 0.482 142 A N 1.557 124.414 122.820 0.062 0.000 2.252 142 A HA 0.317 4.642 4.320 0.009 0.000 0.309 142 A C 0.190 177.723 177.584 -0.084 0.000 1.285 142 A CA -0.551 51.476 52.037 -0.017 0.000 0.900 142 A CB 0.479 19.457 19.000 -0.036 0.000 1.157 142 A HN 0.168 nan 8.150 nan 0.000 0.536 143 E N 3.322 123.447 120.200 -0.125 0.000 2.231 143 E HA 0.392 4.747 4.350 0.009 0.000 0.277 143 E C -2.582 173.889 176.600 -0.214 0.000 0.999 143 E CA -1.871 54.444 56.400 -0.141 0.000 0.827 143 E CB 1.465 31.095 29.700 -0.117 0.000 1.101 143 E HN 0.456 nan 8.360 nan 0.000 0.393 144 P HA 0.124 nan 4.420 nan 0.000 0.285 144 P C -0.904 176.274 177.300 -0.203 0.000 1.259 144 P CA -0.296 62.701 63.100 -0.171 0.000 0.794 144 P CB 0.903 32.558 31.700 -0.076 0.000 0.940 145 Q N 2.698 122.329 119.800 -0.281 0.000 2.327 145 Q HA 0.256 4.602 4.340 0.009 0.000 0.270 145 Q C -0.668 175.270 176.000 -0.105 0.000 1.022 145 Q CA -0.727 54.947 55.803 -0.214 0.000 0.773 145 Q CB 1.215 29.763 28.738 -0.317 0.000 1.251 145 Q HN 0.295 nan 8.270 nan 0.000 0.457 146 K N 2.268 122.629 120.400 -0.065 0.000 2.368 146 K HA 0.261 4.586 4.320 0.009 0.000 0.282 146 K C -0.273 176.275 176.600 -0.087 0.000 1.035 146 K CA -0.144 56.113 56.287 -0.050 0.000 0.973 146 K CB 0.768 33.249 32.500 -0.032 0.000 0.957 146 K HN 0.473 nan 8.250 nan 0.000 0.474 147 V N -0.562 119.245 119.914 -0.178 0.000 3.078 147 V HA 0.364 4.489 4.120 0.009 0.000 0.311 147 V C -0.764 175.107 176.094 -0.372 0.000 1.138 147 V CA -1.255 60.854 62.300 -0.318 0.000 1.007 147 V CB 2.005 33.514 31.823 -0.524 0.000 1.045 147 V HN 0.665 nan 8.190 nan 0.000 0.432 148 N N 1.352 119.880 118.700 -0.287 0.000 2.868 148 N HA 0.391 5.136 4.740 0.009 0.000 0.252 148 N C 0.156 175.579 175.510 -0.146 0.000 1.130 148 N CA -0.479 52.476 53.050 -0.158 0.000 1.026 148 N CB -0.421 38.020 38.487 -0.076 0.000 1.335 148 N HN 0.730 nan 8.380 nan 0.000 0.516 149 F N 1.407 121.362 119.950 0.008 0.000 2.163 149 F HA -0.029 4.503 4.527 0.008 0.000 0.297 149 F C 2.081 177.882 175.800 0.001 0.000 1.094 149 F CA 0.622 58.621 58.000 -0.003 0.000 1.290 149 F CB 0.180 39.173 39.000 -0.011 0.000 1.017 149 F HN 0.339 nan 8.300 nan 0.000 0.483 150 K N -0.233 120.283 120.400 0.193 0.000 2.015 150 K HA -0.197 4.129 4.320 0.009 0.000 0.216 150 K C 1.525 178.172 176.600 0.078 0.000 1.052 150 K CA 2.154 58.510 56.287 0.116 0.000 0.937 150 K CB -0.589 31.964 32.500 0.089 0.000 0.719 150 K HN 0.319 nan 8.250 nan 0.000 0.446 151 T N -3.611 110.977 114.554 0.057 0.000 3.252 151 T HA 0.549 4.904 4.350 0.009 0.000 0.286 151 T C -0.046 174.669 174.700 0.026 0.000 1.013 151 T CA -0.253 61.869 62.100 0.037 0.000 0.914 151 T CB 1.166 70.049 68.868 0.025 0.000 1.131 151 T HN 0.111 nan 8.240 nan 0.000 0.529 152 A N 1.686 124.525 122.820 0.031 0.000 3.455 152 A HA 0.614 4.939 4.320 0.009 0.000 0.225 152 A C -2.417 175.185 177.584 0.030 0.000 1.052 152 A CA -0.804 51.242 52.037 0.015 0.000 1.005 152 A CB 0.560 19.551 19.000 -0.015 0.000 1.318 152 A HN 0.193 nan 8.150 nan 0.000 0.639 153 P HA -0.141 nan 4.420 nan 0.000 0.216 153 P C 1.356 178.704 177.300 0.080 0.000 1.153 153 P CA 1.237 64.416 63.100 0.131 0.000 0.848 153 P CB 0.386 32.153 31.700 0.111 0.000 0.787 154 E N -0.267 119.958 120.200 0.042 0.000 2.072 154 E HA -0.202 4.153 4.350 0.009 0.000 0.191 154 E C 2.111 178.715 176.600 0.007 0.000 0.985 154 E CA 0.955 57.370 56.400 0.024 0.000 0.801 154 E CB -0.527 29.184 29.700 0.017 0.000 0.750 154 E HN 0.403 nan 8.360 nan 0.000 0.452 155 Q N 0.513 120.311 119.800 -0.004 0.000 2.124 155 Q HA -0.109 4.236 4.340 0.009 0.000 0.202 155 Q C 2.096 178.067 176.000 -0.047 0.000 0.977 155 Q CA 1.523 57.313 55.803 -0.022 0.000 0.850 155 Q CB 0.140 28.862 28.738 -0.026 0.000 0.901 155 Q HN 0.068 nan 8.270 nan 0.000 0.429 156 S N 0.312 115.971 115.700 -0.067 0.000 2.371 156 S HA -0.110 4.365 4.470 0.009 0.000 0.224 156 S C 1.771 176.319 174.600 -0.086 0.000 1.029 156 S CA 0.929 59.044 58.200 -0.141 0.000 0.978 156 S CB -0.258 62.779 63.200 -0.271 0.000 0.833 156 S HN 0.362 nan 8.310 nan 0.000 0.466 157 R N 1.576 122.076 120.500 0.001 0.000 2.081 157 R HA -0.146 4.199 4.340 0.009 0.000 0.235 157 R C 2.550 178.830 176.300 -0.033 0.000 1.131 157 R CA 1.824 57.923 56.100 -0.001 0.000 0.960 157 R CB -0.421 29.896 30.300 0.028 0.000 0.856 157 R HN 0.411 nan 8.270 nan 0.000 0.436 158 K N 0.657 121.043 120.400 -0.022 0.000 2.057 158 K HA -0.138 4.187 4.320 0.009 0.000 0.206 158 K C 1.844 178.437 176.600 -0.011 0.000 1.050 158 K CA 1.798 58.078 56.287 -0.011 0.000 0.935 158 K CB -0.977 31.521 32.500 -0.004 0.000 0.715 158 K HN 0.636 nan 8.250 nan 0.000 0.439 159 E N 0.466 120.646 120.200 -0.032 0.000 2.150 159 E HA -0.078 4.277 4.350 0.009 0.000 0.193 159 E C 2.111 178.701 176.600 -0.015 0.000 0.985 159 E CA 1.134 57.531 56.400 -0.005 0.000 0.814 159 E CB -0.806 28.891 29.700 -0.005 0.000 0.752 159 E HN 0.701 nan 8.360 nan 0.000 0.466 160 I N 1.595 122.049 120.570 -0.194 0.000 2.202 160 I HA -0.195 3.980 4.170 0.009 0.000 0.242 160 I C 2.437 178.576 176.117 0.036 0.000 1.091 160 I CA 1.625 62.742 61.300 -0.305 0.000 1.368 160 I CB -0.526 37.156 38.000 -0.532 0.000 1.058 160 I HN 0.199 nan 8.210 nan 0.000 0.410 161 N N 0.396 119.107 118.700 0.019 0.000 2.205 161 N HA -0.139 4.606 4.740 0.009 0.000 0.186 161 N C 1.792 177.350 175.510 0.080 0.000 1.015 161 N CA 1.605 54.690 53.050 0.058 0.000 0.862 161 N CB -0.551 37.953 38.487 0.028 0.000 0.986 161 N HN 0.327 nan 8.380 nan 0.000 0.429 162 T N -0.612 113.995 114.554 0.089 0.000 2.857 162 T HA -0.111 4.244 4.350 0.009 0.000 0.266 162 T C 1.495 176.282 174.700 0.145 0.000 1.048 162 T CA 0.660 62.814 62.100 0.091 0.000 1.139 162 T CB -0.227 68.690 68.868 0.082 0.000 0.874 162 T HN 0.412 nan 8.240 nan 0.000 0.455 163 W N 1.729 123.059 121.300 0.049 0.000 2.355 163 W HA -0.132 4.533 4.660 0.008 0.000 0.309 163 W C 2.042 178.610 176.519 0.081 0.000 1.206 163 W CA 0.618 58.018 57.345 0.093 0.000 1.284 163 W CB -0.629 28.950 29.460 0.197 0.000 1.145 163 W HN -0.070 nan 8.180 nan 0.000 0.502 164 V N 0.915 120.967 119.914 0.229 0.000 2.332 164 V HA -0.350 3.775 4.120 0.009 0.000 0.248 164 V C 2.275 178.319 176.094 -0.085 0.000 1.055 164 V CA 2.428 64.749 62.300 0.035 0.000 1.038 164 V CB -1.062 30.865 31.823 0.173 0.000 0.651 164 V HN 0.336 nan 8.190 nan 0.000 0.450 165 E N 0.322 120.499 120.200 -0.038 0.000 2.085 165 E HA -0.283 4.072 4.350 0.009 0.000 0.194 165 E C 2.475 178.994 176.600 -0.136 0.000 0.994 165 E CA 1.891 58.250 56.400 -0.069 0.000 0.801 165 E CB -0.057 29.621 29.700 -0.036 0.000 0.743 165 E HN 0.430 nan 8.360 nan 0.000 0.453 166 K N -0.153 120.144 120.400 -0.172 0.000 2.057 166 K HA -0.104 4.222 4.320 0.009 0.000 0.206 166 K C 2.149 178.562 176.600 -0.311 0.000 1.050 166 K CA 1.522 57.676 56.287 -0.221 0.000 0.935 166 K CB -0.249 32.131 32.500 -0.199 0.000 0.715 166 K HN 0.283 nan 8.250 nan 0.000 0.439 167 Q N 0.054 119.591 119.800 -0.439 0.000 2.230 167 Q HA -0.014 4.331 4.340 0.009 0.000 0.202 167 Q C 1.948 177.817 176.000 -0.220 0.000 0.963 167 Q CA 1.906 57.463 55.803 -0.410 0.000 0.866 167 Q CB -0.502 27.854 28.738 -0.636 0.000 0.931 167 Q HN 0.786 nan 8.270 nan 0.000 0.452 168 T N -2.924 111.528 114.554 -0.171 0.000 3.145 168 T HA 0.246 4.601 4.350 0.009 0.000 0.255 168 T C 0.133 174.739 174.700 -0.157 0.000 1.039 168 T CA 0.082 62.163 62.100 -0.032 0.000 0.928 168 T CB 0.211 69.095 68.868 0.028 0.000 1.029 168 T HN 0.068 nan 8.240 nan 0.000 0.554 169 E N 0.831 120.814 120.200 -0.362 0.000 2.389 169 E HA -0.236 4.120 4.350 0.009 0.000 0.243 169 E C 0.509 176.982 176.600 -0.213 0.000 1.154 169 E CA 0.712 56.876 56.400 -0.393 0.000 0.723 169 E CB -2.297 26.974 29.700 -0.714 0.000 1.261 169 E HN 0.643 nan 8.360 nan 0.000 0.390 170 S N -2.620 112.980 115.700 -0.167 0.000 3.382 170 S HA -0.284 4.191 4.470 0.009 0.000 0.293 170 S C 1.094 175.606 174.600 -0.146 0.000 1.262 170 S CA 1.206 59.328 58.200 -0.130 0.000 0.969 170 S CB -0.649 62.481 63.200 -0.116 0.000 1.136 170 S HN 0.361 nan 8.310 nan 0.000 0.635 171 K N 0.356 120.657 120.400 -0.166 0.000 2.262 171 K HA 0.231 4.556 4.320 0.009 0.000 0.200 171 K C 0.650 177.143 176.600 -0.179 0.000 1.049 171 K CA 0.558 56.676 56.287 -0.281 0.000 0.979 171 K CB 0.197 32.448 32.500 -0.415 0.000 0.773 171 K HN 0.451 nan 8.250 nan 0.000 0.474 172 I N 2.058 122.582 120.570 -0.076 0.000 2.503 172 I HA 0.175 4.350 4.170 0.009 0.000 0.277 172 I C 0.854 176.960 176.117 -0.019 0.000 1.078 172 I CA -0.098 61.189 61.300 -0.021 0.000 1.184 172 I CB 1.057 39.072 38.000 0.026 0.000 1.353 172 I HN -0.088 nan 8.210 nan 0.000 0.490 173 K N 2.971 123.355 120.400 -0.026 0.000 2.243 173 K HA 0.070 4.395 4.320 0.009 0.000 0.201 173 K C 0.123 176.725 176.600 0.002 0.000 1.051 173 K CA 0.918 57.193 56.287 -0.019 0.000 0.970 173 K CB 0.253 32.736 32.500 -0.028 0.000 0.755 173 K HN 0.496 nan 8.250 nan 0.000 0.465 174 N N 0.938 119.644 118.700 0.010 0.000 2.765 174 N HA 0.050 4.795 4.740 0.009 0.000 0.277 174 N C 0.063 175.589 175.510 0.028 0.000 1.750 174 N CA -0.127 52.934 53.050 0.018 0.000 0.827 174 N CB 1.102 39.598 38.487 0.014 0.000 1.200 174 N HN -0.091 nan 8.380 nan 0.000 0.494 175 L N 0.574 121.820 121.223 0.038 0.000 1.989 175 L HA 0.051 4.396 4.340 0.009 0.000 0.211 175 L C -0.045 176.851 176.870 0.043 0.000 1.071 175 L CA 1.923 56.792 54.840 0.048 0.000 0.749 175 L CB -0.072 42.030 42.059 0.072 0.000 0.890 175 L HN 0.314 nan 8.230 nan 0.000 0.431 176 L N 0.045 121.290 121.223 0.036 0.000 2.307 176 L HA 0.353 4.698 4.340 0.009 0.000 0.282 176 L C 0.553 177.436 176.870 0.022 0.000 1.051 176 L CA -0.321 54.535 54.840 0.027 0.000 0.804 176 L CB 1.266 43.336 42.059 0.019 0.000 1.197 176 L HN 0.280 nan 8.230 nan 0.000 0.431 177 S N -0.125 115.587 115.700 0.020 0.000 2.758 177 S HA 0.267 4.742 4.470 0.009 0.000 0.292 177 S C 1.075 175.684 174.600 0.014 0.000 1.131 177 S CA -0.083 58.127 58.200 0.017 0.000 0.997 177 S CB 1.572 64.783 63.200 0.018 0.000 1.111 177 S HN 0.680 nan 8.310 nan 0.000 0.552 178 S N 0.048 115.756 115.700 0.013 0.000 2.399 178 S HA -0.128 4.347 4.470 0.009 0.000 0.231 178 S C 0.904 175.510 174.600 0.009 0.000 1.022 178 S CA 1.157 59.365 58.200 0.013 0.000 0.983 178 S CB -0.807 62.401 63.200 0.012 0.000 0.803 178 S HN 0.751 nan 8.310 nan 0.000 0.480 179 D N 1.754 122.158 120.400 0.007 0.000 2.312 179 D HA 0.001 4.646 4.640 0.009 0.000 0.211 179 D C 1.038 177.336 176.300 -0.003 0.000 0.964 179 D CA 0.768 54.769 54.000 0.002 0.000 0.877 179 D CB -0.201 40.602 40.800 0.004 0.000 0.924 179 D HN 0.478 nan 8.370 nan 0.000 0.515 180 D N 0.201 120.599 120.400 -0.003 0.000 2.202 180 D HA -0.010 4.635 4.640 0.009 0.000 0.214 180 D C 0.775 177.053 176.300 -0.036 0.000 0.967 180 D CA 0.422 54.415 54.000 -0.013 0.000 0.871 180 D CB 0.489 41.288 40.800 -0.001 0.000 1.020 180 D HN -0.003 nan 8.370 nan 0.000 0.474 181 V N 1.949 121.849 119.914 -0.024 0.000 2.407 181 V HA 0.279 4.404 4.120 0.009 0.000 0.278 181 V C 0.312 176.398 176.094 -0.013 0.000 1.037 181 V CA -0.235 62.043 62.300 -0.036 0.000 0.900 181 V CB 1.498 33.344 31.823 0.038 0.000 0.983 181 V HN -0.042 nan 8.190 nan 0.000 0.459 182 K N 2.566 122.939 120.400 -0.045 0.000 2.372 182 K HA 0.727 5.052 4.320 0.009 0.000 0.251 182 K C 1.040 177.645 176.600 0.009 0.000 1.055 182 K CA -0.395 55.884 56.287 -0.013 0.000 0.879 182 K CB 1.750 34.233 32.500 -0.029 0.000 1.384 182 K HN 0.450 nan 8.250 nan 0.000 0.465 183 A N 0.282 123.118 122.820 0.026 0.000 2.015 183 A HA -0.128 4.197 4.320 0.009 0.000 0.219 183 A C 1.850 179.449 177.584 0.026 0.000 1.163 183 A CA 2.212 54.278 52.037 0.048 0.000 0.646 183 A CB -1.026 nan 19.000 nan 0.000 0.806 183 A HN 0.812 nan 8.150 nan 0.000 0.448 184 T N -3.013 111.531 114.554 -0.016 0.000 3.085 184 T HA 0.048 4.403 4.350 0.009 0.000 0.263 184 T C 0.796 175.430 174.700 -0.110 0.000 1.127 184 T CA 0.873 62.950 62.100 -0.039 0.000 1.103 184 T CB -0.752 68.094 68.868 -0.037 0.000 0.921 184 T HN 0.231 nan 8.240 nan 0.000 0.510 185 T N 2.843 117.279 114.554 -0.195 0.000 2.902 185 T HA 0.228 4.583 4.350 0.009 0.000 0.301 185 T C 0.963 175.369 174.700 -0.490 0.000 1.012 185 T CA -0.411 61.423 62.100 -0.443 0.000 1.151 185 T CB 0.921 69.344 68.868 -0.741 0.000 0.946 185 T HN 0.205 nan 8.240 nan 0.000 0.542 186 R N 1.401 121.624 120.500 -0.461 0.000 2.310 186 R HA 0.354 4.699 4.340 0.009 0.000 0.199 186 R C -0.200 175.940 176.300 -0.266 0.000 0.891 186 R CA -0.004 55.911 56.100 -0.307 0.000 1.060 186 R CB 0.159 30.194 30.300 -0.442 0.000 1.188 186 R HN 0.442 nan 8.270 nan 0.000 0.607 187 L N 0.833 121.833 121.223 -0.371 0.000 2.455 187 L HA 0.541 4.886 4.340 0.009 0.000 0.264 187 L C -1.564 175.188 176.870 -0.196 0.000 0.968 187 L CA -0.408 54.317 54.840 -0.192 0.000 0.827 187 L CB 2.299 44.204 42.059 -0.257 0.000 1.317 187 L HN -0.090 nan 8.230 nan 0.000 0.407 188 I N 5.843 126.418 120.570 0.008 0.000 2.468 188 I HA 0.360 4.535 4.170 0.009 0.000 0.284 188 I C -1.035 175.146 176.117 0.106 0.000 1.038 188 I CA -0.520 60.802 61.300 0.035 0.000 1.083 188 I CB 1.654 39.712 38.000 0.096 0.000 1.223 188 I HN 0.385 nan 8.210 nan 0.000 0.443 189 L N 7.010 128.244 121.223 0.019 0.000 2.257 189 L HA 0.570 4.915 4.340 0.009 0.000 0.290 189 L C -0.487 176.416 176.870 0.055 0.000 1.044 189 L CA -0.796 54.050 54.840 0.010 0.000 0.810 189 L CB 1.429 43.454 42.059 -0.056 0.000 1.193 189 L HN 0.277 nan 8.230 nan 0.000 0.425 190 V N 3.047 123.021 119.914 0.100 0.000 2.495 190 V HA 0.402 4.527 4.120 0.009 0.000 0.298 190 V C -0.199 176.040 176.094 0.242 0.000 1.031 190 V CA -0.714 61.707 62.300 0.202 0.000 0.871 190 V CB 1.949 33.973 31.823 0.335 0.000 0.988 190 V HN 0.773 nan 8.190 nan 0.000 0.432 191 N N 2.557 121.409 118.700 0.254 0.000 2.361 191 N HA 0.776 5.521 4.740 0.009 0.000 0.302 191 N C -0.951 174.765 175.510 0.343 0.000 1.074 191 N CA -0.211 53.014 53.050 0.292 0.000 0.850 191 N CB 2.454 41.039 38.487 0.163 0.000 1.228 191 N HN 0.856 nan 8.380 nan 0.000 0.491 192 A N 3.265 126.296 122.820 0.352 0.000 2.435 192 A HA 0.696 5.021 4.320 0.009 0.000 0.304 192 A C -1.122 176.647 177.584 0.310 0.000 1.064 192 A CA -0.753 51.438 52.037 0.256 0.000 0.727 192 A CB 1.142 20.182 19.000 0.066 0.000 1.284 192 A HN 0.716 nan 8.150 nan 0.000 0.415 193 I N 0.914 121.674 120.570 0.316 0.000 2.619 193 I HA 0.675 4.850 4.170 0.009 0.000 0.292 193 I C -2.084 174.219 176.117 0.310 0.000 1.100 193 I CA -0.806 60.701 61.300 0.345 0.000 1.043 193 I CB 1.827 40.081 38.000 0.422 0.000 1.239 193 I HN 0.753 nan 8.210 nan 0.000 0.420 194 Y N 7.777 128.169 120.300 0.153 0.000 2.391 194 Y HA 0.634 5.189 4.550 0.009 0.000 0.341 194 Y C -2.012 173.996 175.900 0.181 0.000 0.965 194 Y CA -0.911 57.268 58.100 0.133 0.000 1.067 194 Y CB 1.662 40.157 38.460 0.058 0.000 1.199 194 Y HN 0.523 nan 8.280 nan 0.000 0.450 195 F N 6.647 126.183 119.950 -0.690 0.000 2.561 195 F HA 0.653 5.185 4.527 0.010 0.000 0.313 195 F C -1.753 173.593 175.800 -0.757 0.000 1.126 195 F CA -0.793 56.882 58.000 -0.541 0.000 0.918 195 F CB 1.468 40.252 39.000 -0.361 0.000 1.199 195 F HN 0.493 nan 8.300 nan 0.000 0.444 196 K N 5.003 124.654 120.400 -1.249 0.000 2.553 196 K HA 0.830 5.155 4.320 0.009 0.000 0.250 196 K C -2.111 173.892 176.600 -0.994 0.000 0.953 196 K CA -0.595 55.028 56.287 -1.108 0.000 0.800 196 K CB 1.710 33.933 32.500 -0.462 0.000 1.243 196 K HN 0.895 nan 8.250 nan 0.000 0.435 197 A N 3.387 125.532 122.820 -1.125 0.000 2.572 197 A HA 0.464 4.789 4.320 0.009 0.000 0.295 197 A C -1.293 176.040 177.584 -0.419 0.000 1.072 197 A CA -0.828 50.829 52.037 -0.633 0.000 0.691 197 A CB 1.254 19.842 19.000 -0.687 0.000 1.291 197 A HN 0.749 nan 8.150 nan 0.000 0.404 198 E N 0.485 120.594 120.200 -0.151 0.000 2.373 198 E HA 0.222 4.577 4.350 0.009 0.000 0.263 198 E C -0.836 175.823 176.600 0.099 0.000 1.073 198 E CA -0.151 56.213 56.400 -0.060 0.000 0.894 198 E CB 0.688 30.409 29.700 0.034 0.000 1.008 198 E HN 0.620 nan 8.360 nan 0.000 0.420 199 W N 1.185 122.609 121.300 0.206 0.000 2.148 199 W HA -0.033 4.632 4.660 0.007 0.000 0.347 199 W C 1.701 178.251 176.519 0.052 0.000 1.288 199 W CA 0.047 57.455 57.345 0.104 0.000 1.252 199 W CB 0.264 29.746 29.460 0.036 0.000 1.156 199 W HN 0.738 nan 8.180 nan 0.000 0.580 200 E N 0.409 120.779 120.200 0.284 0.000 2.077 200 E HA -0.163 4.192 4.350 0.009 0.000 0.193 200 E C -0.143 176.503 176.600 0.077 0.000 0.989 200 E CA 0.981 57.461 56.400 0.134 0.000 0.800 200 E CB 0.123 29.862 29.700 0.066 0.000 0.746 200 E HN 0.174 nan 8.360 nan 0.000 0.452 201 V N 2.345 122.289 119.914 0.050 0.000 2.376 201 V HA 0.231 4.356 4.120 0.009 0.000 0.287 201 V C -0.501 175.560 176.094 -0.056 0.000 1.015 201 V CA -0.683 61.584 62.300 -0.056 0.000 0.834 201 V CB 1.530 33.228 31.823 -0.209 0.000 1.001 201 V HN 0.072 nan 8.190 nan 0.000 0.428 202 K N 3.635 124.057 120.400 0.035 0.000 2.154 202 K HA 0.521 4.846 4.320 0.009 0.000 0.264 202 K C -0.580 175.991 176.600 -0.049 0.000 1.008 202 K CA -0.305 56.067 56.287 0.141 0.000 0.937 202 K CB 0.878 33.505 32.500 0.211 0.000 1.002 202 K HN 0.390 nan 8.250 nan 0.000 0.469 203 F N 1.436 121.414 119.950 0.046 0.000 2.410 203 F HA 0.056 4.588 4.527 0.009 0.000 0.334 203 F C 1.029 176.843 175.800 0.024 0.000 1.134 203 F CA -0.092 57.898 58.000 -0.016 0.000 1.227 203 F CB 0.549 39.536 39.000 -0.022 0.000 1.194 203 F HN 0.260 nan 8.300 nan 0.000 0.571 204 Q N 1.569 121.481 119.800 0.186 0.000 2.294 204 Q HA 0.364 4.709 4.340 0.009 0.000 0.257 204 Q C 0.769 176.858 176.000 0.148 0.000 0.955 204 Q CA -0.295 55.587 55.803 0.132 0.000 0.936 204 Q CB 1.559 30.347 28.738 0.084 0.000 1.188 204 Q HN 0.873 nan 8.270 nan 0.000 0.420 205 A N 3.124 126.016 122.820 0.121 0.000 1.978 205 A HA -0.265 4.060 4.320 0.009 0.000 0.220 205 A C 1.883 179.517 177.584 0.084 0.000 1.170 205 A CA 1.821 53.915 52.037 0.096 0.000 0.636 205 A CB -0.300 18.744 19.000 0.075 0.000 0.810 205 A HN 0.951 nan 8.150 nan 0.000 0.448 206 E N 0.288 120.536 120.200 0.080 0.000 2.130 206 E HA -0.248 4.107 4.350 0.009 0.000 0.196 206 E C 1.475 178.129 176.600 0.089 0.000 0.998 206 E CA 1.617 58.061 56.400 0.073 0.000 0.806 206 E CB -0.127 29.612 29.700 0.065 0.000 0.738 206 E HN 0.655 nan 8.360 nan 0.000 0.459 207 K N 0.157 120.630 120.400 0.123 0.000 2.444 207 K HA 0.067 4.392 4.320 0.009 0.000 0.193 207 K C 0.096 176.796 176.600 0.167 0.000 1.024 207 K CA 0.203 56.592 56.287 0.170 0.000 1.077 207 K CB 0.478 33.132 32.500 0.257 0.000 0.833 207 K HN 0.004 nan 8.250 nan 0.000 0.517 208 T N 1.915 116.541 114.554 0.121 0.000 2.851 208 T HA 0.150 4.505 4.350 0.009 0.000 0.298 208 T C 0.107 174.852 174.700 0.074 0.000 0.977 208 T CA -0.296 61.858 62.100 0.090 0.000 1.126 208 T CB 1.078 69.977 68.868 0.051 0.000 0.916 208 T HN 0.201 nan 8.240 nan 0.000 0.529 209 S N 1.037 116.781 115.700 0.074 0.000 2.588 209 S HA 0.636 5.111 4.470 0.009 0.000 0.275 209 S C -0.374 174.253 174.600 0.046 0.000 1.130 209 S CA -0.974 57.258 58.200 0.053 0.000 0.855 209 S CB 0.891 64.120 63.200 0.048 0.000 1.116 209 S HN 0.447 nan 8.310 nan 0.000 0.472 210 I N 2.776 123.365 120.570 0.032 0.000 2.533 210 I HA 0.447 4.622 4.170 0.009 0.000 0.284 210 I C 0.111 176.242 176.117 0.023 0.000 1.109 210 I CA -0.125 61.191 61.300 0.028 0.000 1.412 210 I CB -0.197 37.815 38.000 0.021 0.000 1.396 210 I HN 0.745 nan 8.210 nan 0.000 0.543 211 Q N 5.649 125.468 119.800 0.030 0.000 2.501 211 Q HA 0.527 4.872 4.340 0.009 0.000 0.288 211 Q C -2.848 173.173 176.000 0.036 0.000 1.051 211 Q CA -1.924 53.889 55.803 0.016 0.000 0.788 211 Q CB 2.222 30.961 28.738 0.003 0.000 1.469 211 Q HN 0.396 nan 8.270 nan 0.000 0.416 212 P HA 0.275 nan 4.420 nan 0.000 0.281 212 P C -1.026 176.317 177.300 0.073 0.000 1.252 212 P CA -0.192 62.931 63.100 0.039 0.000 0.778 212 P CB 0.230 31.928 31.700 -0.003 0.000 0.895 213 F N 4.216 124.146 119.950 -0.034 0.000 2.388 213 F HA 0.412 4.944 4.527 0.008 0.000 0.358 213 F C 0.400 176.178 175.800 -0.036 0.000 1.122 213 F CA -0.995 56.981 58.000 -0.039 0.000 1.056 213 F CB 1.163 40.138 39.000 -0.042 0.000 1.155 213 F HN 0.126 nan 8.300 nan 0.000 0.461 214 R N 6.540 126.773 120.500 -0.446 0.000 2.210 214 R HA 0.241 4.586 4.340 0.009 0.000 0.338 214 R C 0.502 176.630 176.300 -0.287 0.000 1.062 214 R CA -0.385 55.551 56.100 -0.273 0.000 0.902 214 R CB 0.584 30.735 30.300 -0.249 0.000 1.050 214 R HN 0.732 nan 8.270 nan 0.000 0.461 215 L N 0.992 122.204 121.223 -0.018 0.000 2.240 215 L HA -0.011 4.334 4.340 0.009 0.000 0.211 215 L C 0.788 177.660 176.870 0.002 0.000 1.106 215 L CA 1.046 55.928 54.840 0.070 0.000 0.793 215 L CB -0.355 41.777 42.059 0.123 0.000 0.927 215 L HN 0.772 nan 8.230 nan 0.000 0.446 216 S N -3.434 112.248 115.700 -0.029 0.000 2.724 216 S HA 0.302 4.777 4.470 0.009 0.000 0.278 216 S C 0.406 174.980 174.600 -0.043 0.000 1.190 216 S CA -0.873 57.309 58.200 -0.030 0.000 0.860 216 S CB 0.894 64.090 63.200 -0.006 0.000 1.206 216 S HN -0.077 nan 8.310 nan 0.000 0.507 217 K N 0.493 120.872 120.400 -0.034 0.000 2.209 217 K HA 0.063 4.388 4.320 0.009 0.000 0.204 217 K C 0.523 177.107 176.600 -0.027 0.000 1.048 217 K CA 1.334 57.600 56.287 -0.034 0.000 0.940 217 K CB -0.273 32.212 32.500 -0.025 0.000 0.729 217 K HN 0.444 nan 8.250 nan 0.000 0.451 218 N N 0.257 118.946 118.700 -0.018 0.000 2.177 218 N HA 0.029 4.775 4.740 0.009 0.000 0.218 218 N C -0.655 174.851 175.510 -0.007 0.000 1.182 218 N CA 0.147 53.190 53.050 -0.012 0.000 0.882 218 N CB 1.096 39.578 38.487 -0.007 0.000 1.052 218 N HN 0.049 nan 8.380 nan 0.000 0.519 219 K N 1.019 121.416 120.400 -0.006 0.000 2.468 219 K HA 0.422 4.747 4.320 0.009 0.000 0.252 219 K C -1.243 175.363 176.600 0.011 0.000 0.932 219 K CA -0.387 55.905 56.287 0.007 0.000 0.794 219 K CB 1.527 34.038 32.500 0.018 0.000 1.241 219 K HN 0.030 nan 8.250 nan 0.000 0.428 220 S N 2.398 118.112 115.700 0.025 0.000 2.570 220 S HA 0.629 5.104 4.470 0.009 0.000 0.270 220 S C -1.421 173.218 174.600 0.065 0.000 1.149 220 S CA -1.081 57.147 58.200 0.046 0.000 0.837 220 S CB 1.867 65.074 63.200 0.012 0.000 1.124 220 S HN 0.587 nan 8.310 nan 0.000 0.465 221 K N 0.669 121.132 120.400 0.106 0.000 2.477 221 K HA 0.635 4.960 4.320 0.009 0.000 0.255 221 K C -3.114 173.539 176.600 0.089 0.000 0.952 221 K CA -2.307 54.028 56.287 0.080 0.000 0.826 221 K CB 2.296 34.836 32.500 0.067 0.000 1.331 221 K HN 0.462 nan 8.250 nan 0.000 0.437 222 P HA 0.107 nan 4.420 nan 0.000 0.275 222 P C -0.741 176.583 177.300 0.040 0.000 1.227 222 P CA -0.404 62.725 63.100 0.048 0.000 0.781 222 P CB 0.980 32.698 31.700 0.029 0.000 0.906 223 V N -0.556 119.387 119.914 0.049 0.000 3.078 223 V HA 0.520 4.645 4.120 0.009 0.000 0.311 223 V C -0.407 175.707 176.094 0.034 0.000 1.138 223 V CA -1.358 60.956 62.300 0.024 0.000 1.007 223 V CB 2.112 33.936 31.823 0.002 0.000 1.045 223 V HN 0.248 nan 8.190 nan 0.000 0.432 224 K N 2.588 123.002 120.400 0.023 0.000 2.315 224 K HA 0.425 4.750 4.320 0.009 0.000 0.291 224 K C -0.633 175.984 176.600 0.029 0.000 1.074 224 K CA -0.234 56.068 56.287 0.025 0.000 0.936 224 K CB 0.808 33.316 32.500 0.013 0.000 1.049 224 K HN 0.716 nan 8.250 nan 0.000 0.471 225 M N 4.976 124.608 119.600 0.054 0.000 2.063 225 M HA 0.222 4.707 4.480 0.009 0.000 0.348 225 M C -0.657 175.687 176.300 0.072 0.000 1.180 225 M CA -0.023 55.326 55.300 0.082 0.000 1.059 225 M CB 0.613 33.296 32.600 0.137 0.000 1.544 225 M HN 0.486 nan 8.290 nan 0.000 0.447 226 M N 4.063 123.627 119.600 -0.060 0.000 2.241 226 M HA 0.294 4.779 4.480 0.009 0.000 0.335 226 M C -1.070 175.235 176.300 0.009 0.000 1.122 226 M CA -0.172 55.018 55.300 -0.184 0.000 1.164 226 M CB 0.778 32.899 32.600 -0.799 0.000 1.459 226 M HN 0.658 nan 8.290 nan 0.000 0.461 227 Y N 3.190 123.517 120.300 0.045 0.000 2.479 227 Y HA 0.686 5.242 4.550 0.009 0.000 0.338 227 Y C -1.302 174.705 175.900 0.178 0.000 1.055 227 Y CA -1.264 56.834 58.100 -0.003 0.000 1.023 227 Y CB 1.606 39.943 38.460 -0.206 0.000 1.287 227 Y HN 0.780 nan 8.280 nan 0.000 0.447 228 M N 4.881 123.943 119.600 -0.897 0.000 2.578 228 M HA 0.610 5.095 4.480 0.009 0.000 0.276 228 M C -2.089 173.627 176.300 -0.975 0.000 1.245 228 M CA -1.017 53.717 55.300 -0.944 0.000 0.871 228 M CB 2.642 34.884 32.600 -0.596 0.000 1.722 228 M HN 0.695 nan 8.290 nan 0.000 0.473 229 R N 1.697 121.831 120.500 -0.610 0.000 2.310 229 R HA 0.569 4.914 4.340 0.009 0.000 0.324 229 R C -1.731 174.442 176.300 -0.212 0.000 0.955 229 R CA -0.020 55.909 56.100 -0.284 0.000 0.830 229 R CB 0.849 31.075 30.300 -0.123 0.000 1.154 229 R HN 0.901 nan 8.270 nan 0.000 0.458 230 D N 1.225 121.533 120.400 -0.155 0.000 2.779 230 D HA 0.224 4.869 4.640 0.009 0.000 0.331 230 D C -1.288 174.822 176.300 -0.316 0.000 1.331 230 D CA -0.311 53.523 54.000 -0.276 0.000 0.866 230 D CB 2.549 43.085 40.800 -0.440 0.000 1.409 230 D HN 0.390 nan 8.370 nan 0.000 0.486 231 T N 1.139 115.367 114.554 -0.543 0.000 2.767 231 T HA 0.633 4.988 4.350 0.009 0.000 0.284 231 T C -0.648 173.626 174.700 -0.710 0.000 0.973 231 T CA -0.186 61.664 62.100 -0.418 0.000 0.996 231 T CB 0.114 68.817 68.868 -0.274 0.000 0.927 231 T HN 0.118 nan 8.240 nan 0.000 0.456 232 F N 2.819 122.694 119.950 -0.126 0.000 2.613 232 F HA 0.476 5.007 4.527 0.008 0.000 0.314 232 F C -2.451 173.292 175.800 -0.096 0.000 1.075 232 F CA -2.876 55.044 58.000 -0.134 0.000 0.945 232 F CB 1.760 40.660 39.000 -0.168 0.000 1.310 232 F HN 0.283 nan 8.300 nan 0.000 0.467 233 P HA 0.214 nan 4.420 nan 0.000 0.271 233 P C -1.122 176.217 177.300 0.066 0.000 1.226 233 P CA 0.001 63.138 63.100 0.061 0.000 0.765 233 P CB 0.817 32.546 31.700 0.047 0.000 0.835 234 V N 5.051 124.997 119.914 0.053 0.000 2.638 234 V HA 0.337 4.463 4.120 0.009 0.000 0.306 234 V C -0.345 175.766 176.094 0.029 0.000 1.052 234 V CA -0.757 61.567 62.300 0.040 0.000 0.885 234 V CB 2.084 33.921 31.823 0.024 0.000 0.999 234 V HN 0.320 nan 8.190 nan 0.000 0.424 235 L N 6.444 127.686 121.223 0.033 0.000 2.272 235 L HA 0.641 4.986 4.340 0.009 0.000 0.289 235 L C -0.564 176.239 176.870 -0.110 0.000 1.032 235 L CA 0.226 55.058 54.840 -0.013 0.000 0.810 235 L CB 0.978 43.060 42.059 0.039 0.000 1.205 235 L HN 0.555 nan 8.230 nan 0.000 0.422 236 I N 6.154 126.632 120.570 -0.154 0.000 2.312 236 I HA 0.290 4.466 4.170 0.009 0.000 0.290 236 I C -0.254 175.648 176.117 -0.359 0.000 1.008 236 I CA -0.260 60.902 61.300 -0.229 0.000 1.226 236 I CB 1.400 39.313 38.000 -0.144 0.000 1.371 236 I HN 0.640 nan 8.210 nan 0.000 0.468 237 M N 5.965 125.179 119.600 -0.642 0.000 2.741 237 M HA 0.245 4.730 4.480 0.009 0.000 0.283 237 M C 0.899 176.866 176.300 -0.554 0.000 1.176 237 M CA -0.014 54.822 55.300 -0.774 0.000 1.139 237 M CB -0.091 31.546 32.600 -1.605 0.000 1.234 237 M HN 0.437 nan 8.290 nan 0.000 0.497 238 E N 1.300 121.313 120.200 -0.312 0.000 2.049 238 E HA -0.274 4.081 4.350 0.009 0.000 0.198 238 E C 1.384 177.889 176.600 -0.159 0.000 1.007 238 E CA 1.958 58.240 56.400 -0.197 0.000 0.809 238 E CB -0.091 29.531 29.700 -0.130 0.000 0.749 238 E HN 0.675 nan 8.360 nan 0.000 0.450 239 K N 0.234 120.548 120.400 -0.142 0.000 2.439 239 K HA -0.074 4.251 4.320 0.009 0.000 0.197 239 K C 1.348 177.916 176.600 -0.052 0.000 1.041 239 K CA 1.177 57.417 56.287 -0.077 0.000 0.970 239 K CB 0.102 32.572 32.500 -0.049 0.000 0.773 239 K HN 0.183 nan 8.250 nan 0.000 0.479 240 M N 0.850 120.389 119.600 -0.101 0.000 2.412 240 M HA 0.154 4.639 4.480 0.009 0.000 0.315 240 M C -0.860 175.469 176.300 0.049 0.000 1.092 240 M CA -0.191 55.120 55.300 0.019 0.000 0.974 240 M CB 0.097 32.781 32.600 0.141 0.000 1.437 240 M HN 0.136 nan 8.290 nan 0.000 0.524 241 N N 2.036 120.697 118.700 -0.066 0.000 2.705 241 N HA -0.204 4.541 4.740 0.009 0.000 0.255 241 N C -1.079 174.461 175.510 0.050 0.000 1.008 241 N CA 0.466 53.495 53.050 -0.034 0.000 0.742 241 N CB -1.095 37.396 38.487 0.006 0.000 0.906 241 N HN 0.510 nan 8.380 nan 0.000 0.541 242 F N -1.822 118.041 119.950 -0.145 0.000 2.686 242 F HA 0.690 5.221 4.527 0.007 0.000 0.311 242 F C -1.295 174.405 175.800 -0.167 0.000 1.128 242 F CA -1.252 56.652 58.000 -0.160 0.000 0.946 242 F CB 1.333 40.207 39.000 -0.211 0.000 1.336 242 F HN -0.280 nan 8.300 nan 0.000 0.457 243 K N 2.142 122.615 120.400 0.122 0.000 2.385 243 K HA 0.685 5.010 4.320 0.009 0.000 0.248 243 K C -1.649 175.080 176.600 0.215 0.000 0.955 243 K CA -1.057 55.251 56.287 0.035 0.000 0.816 243 K CB 2.938 35.430 32.500 -0.013 0.000 1.250 243 K HN 0.921 nan 8.250 nan 0.000 0.434 244 M N 3.133 122.826 119.600 0.155 0.000 2.393 244 M HA 0.521 5.006 4.480 0.009 0.000 0.299 244 M C -1.829 174.539 176.300 0.114 0.000 1.103 244 M CA -0.820 54.586 55.300 0.177 0.000 0.910 244 M CB 1.685 34.445 32.600 0.268 0.000 1.659 244 M HN 0.783 nan 8.290 nan 0.000 0.445 245 I N 2.549 123.162 120.570 0.073 0.000 2.689 245 I HA 0.469 4.644 4.170 0.009 0.000 0.299 245 I C -1.253 174.794 176.117 -0.116 0.000 1.059 245 I CA -0.380 60.904 61.300 -0.027 0.000 1.055 245 I CB 2.076 39.997 38.000 -0.131 0.000 1.243 245 I HN 0.805 nan 8.210 nan 0.000 0.425 246 E N 7.143 127.207 120.200 -0.228 0.000 2.158 246 E HA 0.448 4.803 4.350 0.009 0.000 0.271 246 E C -1.734 174.662 176.600 -0.340 0.000 0.911 246 E CA -0.673 55.393 56.400 -0.556 0.000 0.767 246 E CB 1.375 30.700 29.700 -0.626 0.000 1.120 246 E HN 0.555 nan 8.360 nan 0.000 0.405 247 L N 6.779 127.770 121.223 -0.388 0.000 2.337 247 L HA 0.413 4.758 4.340 0.009 0.000 0.269 247 L C -2.332 174.433 176.870 -0.175 0.000 1.018 247 L CA -2.223 52.440 54.840 -0.295 0.000 0.876 247 L CB 1.204 42.963 42.059 -0.501 0.000 1.236 247 L HN 0.360 nan 8.230 nan 0.000 0.436 248 P HA 0.141 nan 4.420 nan 0.000 0.271 248 P C -0.877 176.407 177.300 -0.027 0.000 1.216 248 P CA 0.078 63.148 63.100 -0.050 0.000 0.776 248 P CB 0.460 32.165 31.700 0.008 0.000 0.881 249 Y N 0.337 120.738 120.300 0.169 0.000 2.356 249 Y HA 0.217 4.772 4.550 0.008 0.000 0.341 249 Y C 1.068 176.995 175.900 0.045 0.000 1.343 249 Y CA -0.953 57.203 58.100 0.094 0.000 1.570 249 Y CB 0.040 38.486 38.460 -0.022 0.000 1.558 249 Y HN 0.158 nan 8.280 nan 0.000 0.557 250 V N -0.765 119.269 119.914 0.201 0.000 2.681 250 V HA -0.013 4.112 4.120 0.009 0.000 0.306 250 V C 0.495 176.670 176.094 0.135 0.000 1.077 250 V CA -0.881 61.510 62.300 0.150 0.000 1.224 250 V CB -0.102 31.826 31.823 0.175 0.000 0.879 250 V HN 0.792 nan 8.190 nan 0.000 0.494 251 K N 1.769 122.238 120.400 0.116 0.000 3.349 251 K HA -0.281 4.044 4.320 0.009 0.000 0.310 251 K C 1.151 177.805 176.600 0.090 0.000 1.267 251 K CA 1.630 57.980 56.287 0.106 0.000 0.920 251 K CB -2.485 30.103 32.500 0.146 0.000 1.240 251 K HN 1.454 nan 8.250 nan 0.000 0.453 252 R N -0.834 119.714 120.500 0.080 0.000 3.741 252 R HA -0.324 4.021 4.340 0.009 0.000 0.292 252 R C 0.875 177.220 176.300 0.075 0.000 1.176 252 R CA 1.804 57.944 56.100 0.067 0.000 0.794 252 R CB -1.463 28.864 30.300 0.046 0.000 1.213 252 R HN 0.786 nan 8.270 nan 0.000 0.494 253 E N -0.455 119.790 120.200 0.074 0.000 2.152 253 E HA -0.054 4.301 4.350 0.009 0.000 0.192 253 E C 0.076 176.693 176.600 0.028 0.000 0.983 253 E CA 1.033 57.481 56.400 0.080 0.000 0.818 253 E CB 0.086 29.884 29.700 0.163 0.000 0.758 253 E HN 0.246 nan 8.360 nan 0.000 0.467 254 L N -0.696 120.523 121.223 -0.006 0.000 2.333 254 L HA 0.385 4.730 4.340 0.009 0.000 0.263 254 L C -0.491 176.514 176.870 0.227 0.000 1.014 254 L CA -0.544 54.315 54.840 0.032 0.000 0.820 254 L CB 2.450 44.385 42.059 -0.207 0.000 1.352 254 L HN -0.260 nan 8.230 nan 0.000 0.421 255 S N 0.936 116.765 115.700 0.215 0.000 2.588 255 S HA 0.660 5.135 4.470 0.009 0.000 0.275 255 S C -1.107 173.590 174.600 0.162 0.000 1.130 255 S CA -0.656 57.580 58.200 0.060 0.000 0.855 255 S CB 2.048 65.143 63.200 -0.176 0.000 1.116 255 S HN 0.612 nan 8.310 nan 0.000 0.472 256 M N 2.688 122.304 119.600 0.028 0.000 2.180 256 M HA 0.553 5.038 4.480 0.009 0.000 0.350 256 M C -1.955 174.333 176.300 -0.019 0.000 1.125 256 M CA -0.412 54.997 55.300 0.181 0.000 1.031 256 M CB 0.196 32.995 32.600 0.333 0.000 1.623 256 M HN 0.562 nan 8.290 nan 0.000 0.451 257 F N 5.414 125.417 119.950 0.088 0.000 2.404 257 F HA 0.556 5.088 4.527 0.008 0.000 0.339 257 F C -0.209 175.622 175.800 0.053 0.000 1.105 257 F CA -0.348 57.686 58.000 0.057 0.000 1.087 257 F CB 1.161 40.197 39.000 0.059 0.000 1.143 257 F HN 0.416 nan 8.300 nan 0.000 0.491 258 I N 4.373 125.049 120.570 0.176 0.000 2.466 258 I HA 0.290 4.465 4.170 0.009 0.000 0.289 258 I C -1.381 174.796 176.117 0.100 0.000 1.026 258 I CA -0.925 60.440 61.300 0.110 0.000 1.078 258 I CB 1.990 40.020 38.000 0.049 0.000 1.249 258 I HN 0.282 nan 8.210 nan 0.000 0.429 259 L N 7.791 129.050 121.223 0.060 0.000 2.280 259 L HA 0.569 4.914 4.340 0.009 0.000 0.287 259 L C -1.265 175.599 176.870 -0.011 0.000 1.023 259 L CA -0.455 54.390 54.840 0.008 0.000 0.819 259 L CB 1.327 43.341 42.059 -0.076 0.000 1.212 259 L HN 0.474 nan 8.230 nan 0.000 0.420 260 L N 8.253 129.494 121.223 0.031 0.000 2.372 260 L HA 0.716 5.061 4.340 0.009 0.000 0.274 260 L C -2.425 174.480 176.870 0.058 0.000 0.988 260 L CA -1.642 53.214 54.840 0.027 0.000 0.833 260 L CB 1.706 43.781 42.059 0.025 0.000 1.236 260 L HN 0.422 nan 8.230 nan 0.000 0.410 261 P HA 0.133 nan 4.420 nan 0.000 0.269 261 P C -0.271 177.045 177.300 0.026 0.000 1.215 261 P CA -0.035 63.096 63.100 0.052 0.000 0.780 261 P CB 0.689 32.398 31.700 0.016 0.000 0.898 262 D N -0.123 120.291 120.400 0.024 0.000 2.218 262 D HA -0.084 4.561 4.640 0.009 0.000 0.204 262 D C 0.565 176.849 176.300 -0.026 0.000 0.976 262 D CA 1.731 55.726 54.000 -0.008 0.000 0.853 262 D CB 0.153 40.941 40.800 -0.021 0.000 0.939 262 D HN 0.438 nan 8.370 nan 0.000 0.481 263 D N -1.577 118.807 120.400 -0.027 0.000 2.838 263 D HA 0.200 4.845 4.640 0.009 0.000 0.334 263 D C -1.056 175.217 176.300 -0.045 0.000 1.315 263 D CA -0.595 53.378 54.000 -0.045 0.000 0.917 263 D CB 1.130 41.905 40.800 -0.041 0.000 1.435 263 D HN -0.246 nan 8.370 nan 0.000 0.517 264 I N 1.566 122.103 120.570 -0.056 0.000 2.281 264 I HA 0.142 4.318 4.170 0.009 0.000 0.293 264 I C 0.415 176.514 176.117 -0.030 0.000 1.085 264 I CA -0.131 61.141 61.300 -0.047 0.000 1.257 264 I CB 0.816 38.779 38.000 -0.063 0.000 1.430 264 I HN -0.028 nan 8.210 nan 0.000 0.489 265 K N 3.447 123.837 120.400 -0.017 0.000 2.861 265 K HA 0.243 4.568 4.320 0.009 0.000 0.210 265 K C -0.880 175.718 176.600 -0.003 0.000 1.112 265 K CA -0.513 55.768 56.287 -0.010 0.000 1.076 265 K CB -0.507 31.990 32.500 -0.006 0.000 0.853 265 K HN 0.876 nan 8.250 nan 0.000 0.463 266 D N -3.375 117.023 120.400 -0.004 0.000 2.677 266 D HA 0.300 4.945 4.640 0.009 0.000 0.298 266 D C 1.029 177.328 176.300 -0.002 0.000 1.250 266 D CA -0.487 53.514 54.000 0.001 0.000 0.888 266 D CB 0.365 41.170 40.800 0.009 0.000 1.397 266 D HN -0.062 nan 8.370 nan 0.000 0.461 267 G N -1.748 107.053 108.800 0.002 0.000 2.920 267 G HA2 0.235 4.200 3.960 0.009 0.000 0.208 267 G HA3 0.235 4.200 3.960 0.009 0.000 0.208 267 G C 0.664 175.566 174.900 0.003 0.000 1.159 267 G CA 1.278 46.379 45.100 0.001 0.000 0.784 267 G HN 0.739 nan 8.290 nan 0.000 0.535 268 T N -3.274 111.283 114.554 0.006 0.000 1.812 268 T HA 0.123 4.478 4.350 0.009 0.000 0.173 268 T C 2.101 176.806 174.700 0.009 0.000 0.710 268 T CA 1.226 63.332 62.100 0.010 0.000 1.065 268 T CB 0.029 68.907 68.868 0.016 0.000 3.214 268 T HN 0.042 nan 8.240 nan 0.000 0.403 269 T N -1.538 113.027 114.554 0.019 0.000 3.081 269 T HA 0.427 4.782 4.350 0.009 0.000 0.255 269 T C 1.892 176.594 174.700 0.002 0.000 1.113 269 T CA 1.037 63.149 62.100 0.021 0.000 1.082 269 T CB -0.546 68.351 68.868 0.049 0.000 0.939 269 T HN 1.754 nan 8.240 nan 0.000 0.506 270 G N 1.242 110.043 108.800 0.003 0.000 2.176 270 G HA2 -0.223 3.742 3.960 0.009 0.000 0.253 270 G HA3 -0.223 3.742 3.960 0.009 0.000 0.253 270 G C 0.569 175.475 174.900 0.011 0.000 0.979 270 G CA 0.305 45.403 45.100 -0.004 0.000 0.641 270 G HN 0.563 nan 8.290 nan 0.000 0.530 271 L N 0.257 121.496 121.223 0.027 0.000 2.640 271 L HA 0.311 4.656 4.340 0.009 0.000 0.230 271 L C 2.240 179.142 176.870 0.055 0.000 1.123 271 L CA 0.236 55.100 54.840 0.041 0.000 0.900 271 L CB -0.017 42.083 42.059 0.068 0.000 1.146 271 L HN 0.279 nan 8.230 nan 0.000 0.484 272 E N 0.501 120.728 120.200 0.045 0.000 2.058 272 E HA -0.320 4.036 4.350 0.009 0.000 0.194 272 E C 1.897 178.528 176.600 0.052 0.000 0.997 272 E CA 1.516 57.944 56.400 0.047 0.000 0.801 272 E CB 0.017 29.737 29.700 0.033 0.000 0.746 272 E HN 0.486 nan 8.360 nan 0.000 0.450 273 Q N 0.654 120.482 119.800 0.047 0.000 2.050 273 Q HA -0.200 4.145 4.340 0.009 0.000 0.202 273 Q C 2.365 178.404 176.000 0.066 0.000 0.980 273 Q CA 1.086 56.922 55.803 0.055 0.000 0.840 273 Q CB -0.090 28.680 28.738 0.053 0.000 0.898 273 Q HN 0.193 nan 8.270 nan 0.000 0.424 274 L N 1.173 122.424 121.223 0.048 0.000 2.012 274 L HA -0.208 4.137 4.340 0.009 0.000 0.210 274 L C 1.844 178.758 176.870 0.074 0.000 1.073 274 L CA 2.025 56.882 54.840 0.028 0.000 0.748 274 L CB -0.264 41.767 42.059 -0.046 0.000 0.891 274 L HN 0.260 nan 8.230 nan 0.000 0.431 275 E N -1.187 119.072 120.200 0.099 0.000 2.152 275 E HA -0.206 4.149 4.350 0.009 0.000 0.192 275 E C 2.269 178.945 176.600 0.127 0.000 0.983 275 E CA 0.687 57.184 56.400 0.162 0.000 0.818 275 E CB -0.098 29.730 29.700 0.214 0.000 0.758 275 E HN 0.413 nan 8.360 nan 0.000 0.467 276 R N 1.477 122.032 120.500 0.091 0.000 2.075 276 R HA -0.141 4.204 4.340 0.009 0.000 0.232 276 R C 1.977 178.321 176.300 0.075 0.000 1.126 276 R CA 1.669 57.812 56.100 0.072 0.000 0.963 276 R CB 0.065 30.400 30.300 0.058 0.000 0.858 276 R HN 0.195 nan 8.270 nan 0.000 0.435 277 E N 0.413 120.667 120.200 0.090 0.000 2.479 277 E HA -0.034 4.321 4.350 0.009 0.000 0.193 277 E C -0.198 176.454 176.600 0.088 0.000 1.049 277 E CA -0.294 56.165 56.400 0.099 0.000 0.870 277 E CB 0.082 29.867 29.700 0.141 0.000 0.944 277 E HN 0.108 nan 8.360 nan 0.000 0.492 278 L N 2.906 124.177 121.223 0.080 0.000 2.410 278 L HA 0.184 4.530 4.340 0.009 0.000 0.273 278 L C -0.309 176.554 176.870 -0.013 0.000 1.144 278 L CA 0.686 55.546 54.840 0.034 0.000 0.863 278 L CB 0.979 43.076 42.059 0.064 0.000 1.140 278 L HN 0.231 nan 8.230 nan 0.000 0.463 279 T N 1.169 115.655 114.554 -0.113 0.000 2.896 279 T HA 0.240 4.595 4.350 0.009 0.000 0.297 279 T C 0.546 175.158 174.700 -0.146 0.000 1.108 279 T CA -0.487 61.557 62.100 -0.095 0.000 1.004 279 T CB 0.600 69.406 68.868 -0.103 0.000 1.159 279 T HN 0.472 nan 8.240 nan 0.000 0.499 280 Y N 1.006 121.196 120.300 -0.183 0.000 2.242 280 Y HA -0.008 4.547 4.550 0.008 0.000 0.291 280 Y C 2.367 178.123 175.900 -0.241 0.000 1.137 280 Y CA 2.144 60.124 58.100 -0.200 0.000 1.181 280 Y CB -0.196 38.164 38.460 -0.167 0.000 0.989 280 Y HN 0.958 nan 8.280 nan 0.000 0.527 281 E N -0.047 119.957 120.200 -0.327 0.000 2.049 281 E HA -0.300 4.055 4.350 0.009 0.000 0.198 281 E C 2.354 178.630 176.600 -0.540 0.000 1.007 281 E CA 1.780 57.947 56.400 -0.388 0.000 0.809 281 E CB -0.123 29.455 29.700 -0.205 0.000 0.749 281 E HN 0.466 nan 8.360 nan 0.000 0.450 282 R N -0.153 119.974 120.500 -0.621 0.000 2.070 282 R HA -0.146 4.199 4.340 0.009 0.000 0.233 282 R C 2.557 177.959 176.300 -1.498 0.000 1.137 282 R CA 1.281 56.698 56.100 -1.138 0.000 0.945 282 R CB -0.485 29.107 30.300 -1.179 0.000 0.845 282 R HN 0.208 nan 8.270 nan 0.000 0.430 283 L N 0.530 121.168 121.223 -0.976 0.000 2.013 283 L HA -0.227 4.118 4.340 0.009 0.000 0.212 283 L C 2.312 178.906 176.870 -0.461 0.000 1.073 283 L CA 2.017 56.524 54.840 -0.554 0.000 0.753 283 L CB -0.842 41.051 42.059 -0.277 0.000 0.890 283 L HN 0.101 nan 8.230 nan 0.000 0.432 284 S N -0.688 114.611 115.700 -0.668 0.000 2.356 284 S HA -0.239 4.236 4.470 0.009 0.000 0.223 284 S C 1.925 176.319 174.600 -0.344 0.000 1.032 284 S CA 1.401 59.246 58.200 -0.593 0.000 1.005 284 S CB -0.468 62.173 63.200 -0.932 0.000 0.867 284 S HN 0.768 nan 8.310 nan 0.000 0.449 285 E N -0.932 119.053 120.200 -0.359 0.000 2.208 285 E HA -0.146 4.209 4.350 0.009 0.000 0.193 285 E C 1.742 178.362 176.600 0.032 0.000 0.988 285 E CA 0.841 57.138 56.400 -0.171 0.000 0.828 285 E CB -0.428 29.166 29.700 -0.176 0.000 0.763 285 E HN 0.633 nan 8.360 nan 0.000 0.478 286 W N 1.642 122.911 121.300 -0.050 0.000 2.379 286 W HA 0.166 4.831 4.660 0.008 0.000 0.307 286 W C 2.716 179.242 176.519 0.011 0.000 1.200 286 W CA 0.777 58.138 57.345 0.026 0.000 1.297 286 W CB -1.166 28.349 29.460 0.092 0.000 1.140 286 W HN 0.219 nan 8.180 nan 0.000 0.507 287 A N 0.091 122.992 122.820 0.134 0.000 1.972 287 A HA -0.165 4.160 4.320 0.009 0.000 0.219 287 A C 1.322 178.945 177.584 0.065 0.000 1.169 287 A CA 1.949 53.962 52.037 -0.040 0.000 0.635 287 A CB -0.600 18.123 19.000 -0.462 0.000 0.810 287 A HN 0.109 nan 8.150 nan 0.000 0.446 288 D N -0.536 119.886 120.400 0.037 0.000 2.424 288 D HA 0.160 4.805 4.640 0.009 0.000 0.220 288 D C 0.116 176.462 176.300 0.076 0.000 1.150 288 D CA 0.077 54.114 54.000 0.062 0.000 0.831 288 D CB 0.222 41.029 40.800 0.012 0.000 0.981 288 D HN 0.241 nan 8.370 nan 0.000 0.500 289 S N 0.503 116.269 115.700 0.110 0.000 2.558 289 S HA -0.009 4.466 4.470 0.009 0.000 0.288 289 S C 1.432 176.079 174.600 0.079 0.000 1.318 289 S CA -0.048 58.215 58.200 0.105 0.000 1.056 289 S CB 0.986 64.274 63.200 0.146 0.000 0.853 289 S HN 0.033 nan 8.310 nan 0.000 0.505 290 K N 3.057 123.492 120.400 0.058 0.000 2.280 290 K HA -0.019 4.306 4.320 0.009 0.000 0.202 290 K C 1.394 178.017 176.600 0.038 0.000 1.047 290 K CA 1.026 57.339 56.287 0.043 0.000 0.942 290 K CB -0.093 32.426 32.500 0.031 0.000 0.739 290 K HN 0.575 nan 8.250 nan 0.000 0.457 291 M N -0.070 119.554 119.600 0.040 0.000 2.561 291 M HA 0.097 4.582 4.480 0.009 0.000 0.238 291 M C 0.690 177.007 176.300 0.027 0.000 1.131 291 M CA 0.451 55.765 55.300 0.023 0.000 1.046 291 M CB -0.410 32.195 32.600 0.008 0.000 1.532 291 M HN 0.138 nan 8.290 nan 0.000 0.497 292 M N 2.648 122.282 119.600 0.057 0.000 2.264 292 M HA 0.127 4.612 4.480 0.009 0.000 0.340 292 M C -0.337 175.997 176.300 0.056 0.000 1.420 292 M CA 0.174 55.516 55.300 0.070 0.000 1.254 292 M CB -0.028 32.648 32.600 0.127 0.000 1.575 292 M HN 0.260 nan 8.290 nan 0.000 0.452 293 T N 0.887 115.462 114.554 0.034 0.000 2.916 293 T HA 0.461 4.816 4.350 0.009 0.000 0.292 293 T C -0.400 174.309 174.700 0.014 0.000 1.055 293 T CA -1.150 60.962 62.100 0.021 0.000 1.009 293 T CB 1.500 70.374 68.868 0.010 0.000 1.118 293 T HN 0.503 nan 8.240 nan 0.000 0.497 294 E N 1.724 121.925 120.200 0.001 0.000 2.417 294 E HA 0.288 4.643 4.350 0.009 0.000 0.261 294 E C -0.442 176.147 176.600 -0.019 0.000 1.000 294 E CA 0.429 56.819 56.400 -0.017 0.000 0.919 294 E CB 0.635 30.309 29.700 -0.043 0.000 0.955 294 E HN 0.681 nan 8.360 nan 0.000 0.455 295 T N 2.911 117.459 114.554 -0.010 0.000 2.921 295 T HA 0.222 4.577 4.350 0.009 0.000 0.297 295 T C -0.398 174.298 174.700 -0.006 0.000 1.013 295 T CA -0.747 61.351 62.100 -0.004 0.000 0.990 295 T CB 1.304 70.180 68.868 0.014 0.000 1.023 295 T HN 0.236 nan 8.240 nan 0.000 0.447 296 L N 4.704 125.914 121.223 -0.021 0.000 2.418 296 L HA 0.553 4.898 4.340 0.009 0.000 0.274 296 L C -0.832 176.046 176.870 0.014 0.000 1.135 296 L CA 0.363 55.187 54.840 -0.026 0.000 0.870 296 L CB 0.053 42.091 42.059 -0.035 0.000 1.154 296 L HN 0.475 nan 8.230 nan 0.000 0.462 297 V N 4.392 124.331 119.914 0.042 0.000 2.735 297 V HA 0.365 4.490 4.120 0.009 0.000 0.310 297 V C -0.733 175.393 176.094 0.052 0.000 1.061 297 V CA -0.899 61.441 62.300 0.068 0.000 0.913 297 V CB 2.068 33.958 31.823 0.113 0.000 1.005 297 V HN 0.589 nan 8.190 nan 0.000 0.428 298 D N 3.750 124.200 120.400 0.085 0.000 2.422 298 D HA 0.291 4.936 4.640 0.009 0.000 0.227 298 D C -0.492 175.891 176.300 0.138 0.000 1.190 298 D CA -0.082 54.011 54.000 0.155 0.000 0.905 298 D CB 1.489 42.453 40.800 0.273 0.000 1.034 298 D HN 0.249 nan 8.370 nan 0.000 0.507 299 L N 4.128 125.342 121.223 -0.014 0.000 2.257 299 L HA 0.262 4.607 4.340 0.009 0.000 0.290 299 L C -0.946 175.929 176.870 0.009 0.000 1.044 299 L CA -0.444 54.384 54.840 -0.019 0.000 0.810 299 L CB 0.707 42.677 42.059 -0.148 0.000 1.193 299 L HN 0.249 nan 8.230 nan 0.000 0.425 300 H N 5.041 124.211 119.070 0.167 0.000 2.551 300 H HA 0.658 5.219 4.556 0.008 0.000 0.321 300 H C -1.112 174.251 175.328 0.058 0.000 1.028 300 H CA -0.353 55.793 56.048 0.163 0.000 1.215 300 H CB 1.633 31.475 29.762 0.133 0.000 1.414 300 H HN 0.563 nan 8.280 nan 0.000 0.480 301 L N 6.044 127.308 121.223 0.068 0.000 2.409 301 L HA 0.514 4.859 4.340 0.009 0.000 0.272 301 L C -2.802 174.052 176.870 -0.028 0.000 0.980 301 L CA -2.234 52.600 54.840 -0.010 0.000 0.826 301 L CB 1.807 43.791 42.059 -0.125 0.000 1.268 301 L HN 0.382 nan 8.230 nan 0.000 0.407 302 P HA 0.101 nan 4.420 nan 0.000 0.268 302 P C -1.408 175.974 177.300 0.136 0.000 1.205 302 P CA -0.241 62.914 63.100 0.092 0.000 0.771 302 P CB 0.393 32.124 31.700 0.052 0.000 0.858 303 K N 4.364 124.787 120.400 0.038 0.000 2.378 303 K HA 0.327 4.652 4.320 0.009 0.000 0.288 303 K C -0.735 175.914 176.600 0.081 0.000 1.057 303 K CA -0.106 56.183 56.287 0.004 0.000 0.971 303 K CB -0.440 32.040 32.500 -0.032 0.000 0.975 303 K HN 0.453 nan 8.250 nan 0.000 0.475 304 F N 0.272 120.151 119.950 -0.118 0.000 2.645 304 F HA 0.579 5.111 4.527 0.008 0.000 0.310 304 F C -1.242 174.440 175.800 -0.195 0.000 1.102 304 F CA -0.979 56.926 58.000 -0.159 0.000 0.952 304 F CB 1.680 40.562 39.000 -0.197 0.000 1.326 304 F HN 0.271 nan 8.300 nan 0.000 0.456 305 S N 2.145 117.790 115.700 -0.091 0.000 2.540 305 S HA 0.849 5.324 4.470 0.009 0.000 0.275 305 S C -1.772 172.741 174.600 -0.145 0.000 1.123 305 S CA -0.617 57.407 58.200 -0.293 0.000 0.907 305 S CB 1.311 64.361 63.200 -0.249 0.000 1.081 305 S HN 0.799 nan 8.310 nan 0.000 0.476 306 L N 2.843 123.877 121.223 -0.315 0.000 2.388 306 L HA 0.675 5.020 4.340 0.009 0.000 0.264 306 L C -0.590 176.195 176.870 -0.143 0.000 0.998 306 L CA -0.653 54.084 54.840 -0.171 0.000 0.817 306 L CB 2.335 44.300 42.059 -0.157 0.000 1.338 306 L HN 0.663 nan 8.230 nan 0.000 0.414 307 E N 1.118 121.351 120.200 0.055 0.000 2.317 307 E HA 0.549 4.904 4.350 0.009 0.000 0.270 307 E C -1.707 175.009 176.600 0.193 0.000 0.885 307 E CA -0.740 55.767 56.400 0.178 0.000 0.760 307 E CB 2.896 32.721 29.700 0.209 0.000 1.227 307 E HN 0.339 nan 8.360 nan 0.000 0.434 308 D N 0.882 121.419 120.400 0.230 0.000 2.736 308 D HA 0.370 5.015 4.640 0.009 0.000 0.223 308 D C -1.577 174.823 176.300 0.167 0.000 1.231 308 D CA -0.537 53.590 54.000 0.212 0.000 0.818 308 D CB 1.888 42.864 40.800 0.292 0.000 1.587 308 D HN 0.289 nan 8.370 nan 0.000 0.463 309 R N 2.653 123.235 120.500 0.138 0.000 2.535 309 R HA 0.726 5.071 4.340 0.009 0.000 0.274 309 R C -1.684 174.680 176.300 0.107 0.000 1.090 309 R CA -0.685 55.480 56.100 0.108 0.000 0.930 309 R CB 1.406 31.755 30.300 0.081 0.000 1.223 309 R HN 0.563 nan 8.270 nan 0.000 0.441 310 I N 2.040 122.680 120.570 0.117 0.000 2.842 310 I HA 0.252 4.427 4.170 0.009 0.000 0.297 310 I C -1.746 174.423 176.117 0.087 0.000 1.380 310 I CA -0.712 60.644 61.300 0.093 0.000 1.018 310 I CB 2.342 40.398 38.000 0.094 0.000 1.311 310 I HN 0.636 nan 8.210 nan 0.000 0.439 311 D N 6.835 127.265 120.400 0.049 0.000 2.347 311 D HA 0.286 4.931 4.640 0.009 0.000 0.235 311 D C 0.584 176.888 176.300 0.006 0.000 1.149 311 D CA -0.027 53.995 54.000 0.036 0.000 0.850 311 D CB 1.219 42.026 40.800 0.013 0.000 1.061 311 D HN 0.530 nan 8.370 nan 0.000 0.487 312 L N 3.768 125.006 121.223 0.025 0.000 2.610 312 L HA 0.076 4.421 4.340 0.009 0.000 0.232 312 L C 2.397 179.224 176.870 -0.072 0.000 1.149 312 L CA -0.026 54.809 54.840 -0.009 0.000 0.872 312 L CB -0.169 41.907 42.059 0.029 0.000 0.992 312 L HN 0.385 nan 8.230 nan 0.000 0.447 313 R N 0.894 121.313 120.500 -0.135 0.000 2.115 313 R HA -0.245 4.100 4.340 0.009 0.000 0.239 313 R C 1.651 177.637 176.300 -0.525 0.000 1.133 313 R CA 2.522 58.332 56.100 -0.483 0.000 0.935 313 R CB -0.171 29.862 30.300 -0.446 0.000 0.853 313 R HN 0.239 nan 8.270 nan 0.000 0.433 314 D N -0.515 119.703 120.400 -0.304 0.000 2.123 314 D HA -0.119 4.526 4.640 0.009 0.000 0.196 314 D C 1.884 178.080 176.300 -0.173 0.000 0.992 314 D CA 1.939 55.803 54.000 -0.227 0.000 0.833 314 D CB -0.499 40.215 40.800 -0.144 0.000 0.954 314 D HN 0.356 nan 8.370 nan 0.000 0.455 315 T N 0.817 115.288 114.554 -0.138 0.000 2.684 315 T HA -0.093 4.262 4.350 0.009 0.000 0.267 315 T C 2.184 176.837 174.700 -0.078 0.000 1.036 315 T CA 0.687 62.724 62.100 -0.105 0.000 1.148 315 T CB -0.347 68.458 68.868 -0.106 0.000 0.863 315 T HN 0.125 nan 8.240 nan 0.000 0.436 316 L N 0.244 121.431 121.223 -0.060 0.000 2.093 316 L HA -0.047 4.298 4.340 0.009 0.000 0.208 316 L C 2.922 179.813 176.870 0.035 0.000 1.085 316 L CA 1.226 56.093 54.840 0.044 0.000 0.755 316 L CB -0.456 41.718 42.059 0.191 0.000 0.904 316 L HN 0.154 nan 8.230 nan 0.000 0.435 317 R N 0.223 120.668 120.500 -0.092 0.000 2.081 317 R HA -0.139 4.207 4.340 0.009 0.000 0.235 317 R C 1.922 178.203 176.300 -0.033 0.000 1.131 317 R CA 1.750 57.815 56.100 -0.058 0.000 0.960 317 R CB -0.525 29.674 30.300 -0.169 0.000 0.856 317 R HN 0.536 nan 8.270 nan 0.000 0.436 318 N N 0.208 118.875 118.700 -0.056 0.000 2.381 318 N HA -0.102 4.643 4.740 0.009 0.000 0.182 318 N C 1.561 177.056 175.510 -0.026 0.000 1.025 318 N CA 0.871 53.895 53.050 -0.043 0.000 0.888 318 N CB 0.020 38.473 38.487 -0.058 0.000 0.965 318 N HN 0.188 nan 8.380 nan 0.000 0.438 319 M N -1.009 118.583 119.600 -0.013 0.000 2.506 319 M HA 0.118 4.603 4.480 0.009 0.000 0.260 319 M C 1.133 177.437 176.300 0.007 0.000 1.104 319 M CA 0.615 55.916 55.300 0.002 0.000 1.112 319 M CB 0.684 33.299 32.600 0.025 0.000 1.401 319 M HN 0.320 nan 8.290 nan 0.000 0.473 320 G N 0.598 109.407 108.800 0.015 0.000 2.227 320 G HA2 -0.161 3.804 3.960 0.009 0.000 0.168 320 G HA3 -0.161 3.804 3.960 0.009 0.000 0.168 320 G C 0.111 175.030 174.900 0.032 0.000 1.006 320 G CA -0.469 44.638 45.100 0.011 0.000 0.684 320 G HN 0.385 nan 8.290 nan 0.000 0.489 321 M N 3.279 122.926 119.600 0.079 0.000 2.365 321 M HA 0.450 4.935 4.480 0.009 0.000 0.350 321 M C 1.460 177.919 176.300 0.264 0.000 1.274 321 M CA 0.682 56.063 55.300 0.134 0.000 1.252 321 M CB 0.332 33.033 32.600 0.169 0.000 1.297 321 M HN 0.319 nan 8.290 nan 0.000 0.438 322 T N -1.463 113.196 114.554 0.175 0.000 3.114 322 T HA 0.066 4.421 4.350 0.009 0.000 0.240 322 T C 1.444 176.256 174.700 0.186 0.000 0.983 322 T CA 0.814 63.038 62.100 0.207 0.000 1.151 322 T CB -0.208 68.714 68.868 0.091 0.000 0.974 322 T HN 0.509 nan 8.240 nan 0.000 0.442 323 T N 2.819 117.409 114.554 0.060 0.000 2.737 323 T HA -0.000 4.355 4.350 0.009 0.000 0.269 323 T C 2.362 177.031 174.700 -0.051 0.000 1.040 323 T CA 1.495 63.593 62.100 -0.004 0.000 1.142 323 T CB -0.891 67.942 68.868 -0.058 0.000 0.861 323 T HN 0.586 nan 8.240 nan 0.000 0.456 324 A N 0.783 123.523 122.820 -0.132 0.000 2.024 324 A HA -0.019 4.306 4.320 0.009 0.000 0.220 324 A C 1.594 179.035 177.584 -0.238 0.000 1.164 324 A CA 1.193 53.080 52.037 -0.250 0.000 0.643 324 A CB -0.900 17.891 19.000 -0.348 0.000 0.806 324 A HN 0.584 nan 8.150 nan 0.000 0.451 325 F N 0.286 120.272 119.950 0.060 0.000 2.692 325 F HA 0.158 4.690 4.527 0.008 0.000 0.303 325 F C 1.379 177.195 175.800 0.028 0.000 1.114 325 F CA 0.522 58.550 58.000 0.046 0.000 1.361 325 F CB 0.016 39.031 39.000 0.023 0.000 1.063 325 F HN 0.212 nan 8.300 nan 0.000 0.550 326 T N -4.449 110.186 114.554 0.135 0.000 2.910 326 T HA 0.231 4.586 4.350 0.009 0.000 0.287 326 T C 1.323 176.052 174.700 0.050 0.000 1.050 326 T CA 0.004 62.154 62.100 0.084 0.000 1.011 326 T CB 1.442 70.344 68.868 0.057 0.000 1.195 326 T HN 0.044 nan 8.240 nan 0.000 0.540 327 T N -0.804 113.771 114.554 0.035 0.000 2.962 327 T HA -0.043 4.312 4.350 0.009 0.000 0.270 327 T C 1.230 175.935 174.700 0.008 0.000 1.088 327 T CA 0.661 62.776 62.100 0.024 0.000 1.127 327 T CB -0.565 68.314 68.868 0.019 0.000 0.883 327 T HN 0.591 nan 8.240 nan 0.000 0.493 328 N N 2.049 120.746 118.700 -0.004 0.000 2.449 328 N HA 0.281 5.027 4.740 0.009 0.000 0.191 328 N C 0.575 176.045 175.510 -0.067 0.000 1.161 328 N CA 0.273 53.306 53.050 -0.028 0.000 0.863 328 N CB -0.096 38.375 38.487 -0.026 0.000 0.980 328 N HN 0.633 nan 8.380 nan 0.000 0.458 329 A N 0.912 123.689 122.820 -0.071 0.000 2.520 329 A HA 0.022 4.348 4.320 0.009 0.000 0.245 329 A C 0.096 177.536 177.584 -0.240 0.000 1.072 329 A CA 0.155 52.080 52.037 -0.188 0.000 0.761 329 A CB 0.190 19.140 19.000 -0.083 0.000 1.004 329 A HN 0.018 nan 8.150 nan 0.000 0.499 330 D N 2.277 122.416 120.400 -0.434 0.000 2.472 330 D HA 0.420 5.065 4.640 0.009 0.000 0.234 330 D C -1.042 174.950 176.300 -0.515 0.000 1.088 330 D CA -0.158 53.645 54.000 -0.329 0.000 0.882 330 D CB 0.010 40.675 40.800 -0.226 0.000 1.037 330 D HN 0.346 nan 8.370 nan 0.000 0.520 331 F N 2.198 122.093 119.950 -0.091 0.000 2.963 331 F HA 0.300 4.832 4.527 0.008 0.000 0.321 331 F C 1.863 177.589 175.800 -0.123 0.000 1.234 331 F CA -0.495 57.429 58.000 -0.127 0.000 1.296 331 F CB 0.534 39.437 39.000 -0.162 0.000 0.981 331 F HN 0.102 nan 8.300 nan 0.000 0.507 332 R N 0.028 120.534 120.500 0.010 0.000 2.323 332 R HA 0.011 4.356 4.340 0.009 0.000 0.198 332 R C 2.188 178.481 176.300 -0.012 0.000 0.988 332 R CA 0.540 56.641 56.100 0.001 0.000 1.041 332 R CB -0.236 30.055 30.300 -0.015 0.000 0.926 332 R HN 0.523 nan 8.270 nan 0.000 0.476 333 G N 1.442 110.230 108.800 -0.021 0.000 2.471 333 G HA2 -0.214 3.751 3.960 0.009 0.000 0.219 333 G HA3 -0.214 3.751 3.960 0.009 0.000 0.219 333 G C 1.403 176.276 174.900 -0.046 0.000 1.125 333 G CA 0.420 45.513 45.100 -0.013 0.000 0.775 333 G HN 0.356 nan 8.290 nan 0.000 0.548 334 M N -1.510 117.980 119.600 -0.183 0.000 2.308 334 M HA 0.387 4.872 4.480 0.009 0.000 0.269 334 M C 0.243 176.498 176.300 -0.076 0.000 1.040 334 M CA 0.216 55.333 55.300 -0.305 0.000 1.024 334 M CB 1.045 33.088 32.600 -0.928 0.000 1.465 334 M HN -0.039 nan 8.290 nan 0.000 0.517 335 T N -0.393 114.155 114.554 -0.011 0.000 2.885 335 T HA 0.281 4.636 4.350 0.009 0.000 0.322 335 T C -0.869 173.844 174.700 0.022 0.000 1.387 335 T CA -0.495 61.633 62.100 0.047 0.000 1.041 335 T CB 1.934 70.908 68.868 0.176 0.000 1.287 335 T HN 0.150 nan 8.240 nan 0.000 0.491 336 D N 1.125 121.524 120.400 -0.002 0.000 2.333 336 D HA 0.126 4.771 4.640 0.009 0.000 0.208 336 D C 0.368 176.665 176.300 -0.004 0.000 0.984 336 D CA 0.539 54.533 54.000 -0.010 0.000 0.873 336 D CB 0.444 41.228 40.800 -0.026 0.000 0.935 336 D HN 0.227 nan 8.370 nan 0.000 0.521 337 K N 0.662 121.066 120.400 0.007 0.000 2.172 337 K HA 0.236 4.561 4.320 0.009 0.000 0.276 337 K C 0.529 177.167 176.600 0.062 0.000 1.013 337 K CA -0.605 55.697 56.287 0.026 0.000 0.913 337 K CB 1.993 34.505 32.500 0.020 0.000 1.055 337 K HN -0.045 nan 8.250 nan 0.000 0.461 338 K N 2.623 123.049 120.400 0.043 0.000 3.001 338 K HA 0.016 4.341 4.320 0.009 0.000 0.257 338 K C -0.404 176.231 176.600 0.057 0.000 1.290 338 K CA 0.042 56.355 56.287 0.043 0.000 1.252 338 K CB -0.244 32.263 32.500 0.013 0.000 1.656 338 K HN 0.688 nan 8.250 nan 0.000 0.351 339 D N 0.683 121.138 120.400 0.091 0.000 2.535 339 D HA 0.064 4.710 4.640 0.009 0.000 0.229 339 D C 0.032 176.376 176.300 0.073 0.000 1.238 339 D CA -0.245 53.807 54.000 0.087 0.000 0.824 339 D CB 0.092 40.960 40.800 0.114 0.000 1.045 339 D HN 0.178 nan 8.370 nan 0.000 0.500 340 L N 0.558 121.829 121.223 0.080 0.000 2.346 340 L HA 0.847 5.192 4.340 0.009 0.000 0.274 340 L C -0.419 176.524 176.870 0.122 0.000 1.007 340 L CA -1.015 53.840 54.840 0.025 0.000 0.818 340 L CB 2.078 44.106 42.059 -0.051 0.000 1.284 340 L HN 0.066 nan 8.230 nan 0.000 0.424 341 A N 2.993 125.834 122.820 0.034 0.000 2.574 341 A HA 0.660 4.985 4.320 0.009 0.000 0.297 341 A C -0.940 176.631 177.584 -0.022 0.000 1.062 341 A CA -0.557 51.541 52.037 0.101 0.000 0.686 341 A CB 1.186 20.234 19.000 0.080 0.000 1.285 341 A HN 0.614 nan 8.150 nan 0.000 0.403 342 I N 2.465 123.016 120.570 -0.033 0.000 2.533 342 I HA 0.087 4.263 4.170 0.009 0.000 0.284 342 I C 1.565 177.750 176.117 0.114 0.000 1.109 342 I CA 0.405 61.646 61.300 -0.099 0.000 1.412 342 I CB 1.297 39.096 38.000 -0.334 0.000 1.396 342 I HN 0.854 nan 8.210 nan 0.000 0.543 343 S N 5.496 121.239 115.700 0.072 0.000 2.412 343 S HA 0.197 4.673 4.470 0.009 0.000 0.223 343 S C 0.580 175.263 174.600 0.139 0.000 1.048 343 S CA 0.077 58.336 58.200 0.099 0.000 0.954 343 S CB 0.280 63.482 63.200 0.004 0.000 0.840 343 S HN 0.601 nan 8.310 nan 0.000 0.503 344 K N 0.195 120.663 120.400 0.112 0.000 2.508 344 K HA 0.662 4.987 4.320 0.009 0.000 0.260 344 K C -2.001 174.680 176.600 0.134 0.000 0.949 344 K CA -0.736 55.615 56.287 0.108 0.000 0.834 344 K CB 2.803 35.328 32.500 0.042 0.000 1.365 344 K HN -0.033 nan 8.250 nan 0.000 0.437 345 V N 3.586 123.586 119.914 0.144 0.000 2.327 345 V HA 0.255 4.380 4.120 0.009 0.000 0.272 345 V C -0.575 175.591 176.094 0.119 0.000 1.019 345 V CA -0.809 61.573 62.300 0.136 0.000 0.814 345 V CB 0.771 32.703 31.823 0.182 0.000 1.040 345 V HN 0.600 nan 8.190 nan 0.000 0.440 346 I N 4.139 124.775 120.570 0.111 0.000 2.371 346 I HA 0.370 4.545 4.170 0.009 0.000 0.290 346 I C 0.191 176.419 176.117 0.186 0.000 1.028 346 I CA 0.147 61.518 61.300 0.119 0.000 1.345 346 I CB 0.612 38.662 38.000 0.084 0.000 1.407 346 I HN 0.580 nan 8.210 nan 0.000 0.501 347 H N 6.680 125.802 119.070 0.088 0.000 2.609 347 H HA 0.400 4.962 4.556 0.009 0.000 0.344 347 H C -1.365 174.040 175.328 0.128 0.000 1.040 347 H CA -0.502 55.613 56.048 0.113 0.000 1.216 347 H CB 2.144 31.972 29.762 0.110 0.000 1.529 347 H HN 0.670 nan 8.280 nan 0.000 0.519 348 Q N 3.406 122.993 119.800 -0.355 0.000 2.356 348 Q HA 0.444 4.789 4.340 0.009 0.000 0.270 348 Q C -1.460 174.392 176.000 -0.247 0.000 1.058 348 Q CA -0.819 54.873 55.803 -0.184 0.000 0.802 348 Q CB 1.906 30.632 28.738 -0.020 0.000 1.303 348 Q HN 0.753 nan 8.270 nan 0.000 0.444 349 S N 2.328 118.035 115.700 0.011 0.000 2.595 349 S HA 0.841 5.316 4.470 0.009 0.000 0.281 349 S C -1.244 173.615 174.600 0.432 0.000 1.117 349 S CA -0.701 57.631 58.200 0.220 0.000 0.873 349 S CB 1.678 65.055 63.200 0.294 0.000 1.108 349 S HN 0.594 nan 8.310 nan 0.000 0.477 350 F N 0.775 120.927 119.950 0.336 0.000 2.628 350 F HA 0.749 5.281 4.527 0.009 0.000 0.309 350 F C -1.708 174.157 175.800 0.108 0.000 1.108 350 F CA -0.616 57.490 58.000 0.176 0.000 0.971 350 F CB 1.685 40.742 39.000 0.095 0.000 1.279 350 F HN 0.784 nan 8.300 nan 0.000 0.441 351 V N 4.585 123.828 119.914 -1.119 0.000 2.932 351 V HA 0.940 5.065 4.120 0.009 0.000 0.307 351 V C -1.808 173.522 176.094 -1.274 0.000 1.147 351 V CA -0.049 61.624 62.300 -1.044 0.000 0.951 351 V CB 1.840 33.019 31.823 -1.073 0.000 1.031 351 V HN 1.380 nan 8.190 nan 0.000 0.426 352 A N 5.522 127.833 122.820 -0.848 0.000 2.353 352 A HA 0.829 5.154 4.320 0.009 0.000 0.299 352 A C -1.340 175.952 177.584 -0.487 0.000 1.089 352 A CA -0.477 51.197 52.037 -0.605 0.000 0.736 352 A CB 1.772 20.610 19.000 -0.271 0.000 1.195 352 A HN 1.105 nan 8.150 nan 0.000 0.447 353 V N 3.791 123.337 119.914 -0.614 0.000 2.417 353 V HA 0.592 4.717 4.120 0.009 0.000 0.291 353 V C -0.448 175.517 176.094 -0.216 0.000 1.024 353 V CA -0.270 61.774 62.300 -0.428 0.000 0.861 353 V CB 1.238 32.666 31.823 -0.659 0.000 0.985 353 V HN 1.106 nan 8.190 nan 0.000 0.436 354 D N 2.540 122.920 120.400 -0.034 0.000 2.867 354 D HA 0.314 4.959 4.640 0.009 0.000 0.308 354 D C 0.529 176.956 176.300 0.212 0.000 1.202 354 D CA -0.656 53.359 54.000 0.026 0.000 1.035 354 D CB 0.933 41.729 40.800 -0.007 0.000 1.427 354 D HN 0.167 nan 8.370 nan 0.000 0.570 355 E N -0.923 119.385 120.200 0.181 0.000 2.204 355 E HA -0.050 4.305 4.350 0.009 0.000 0.194 355 E C 1.699 178.605 176.600 0.510 0.000 0.989 355 E CA 1.290 57.896 56.400 0.344 0.000 0.824 355 E CB -0.008 29.828 29.700 0.227 0.000 0.756 355 E HN 0.257 nan 8.360 nan 0.000 0.477 356 K N -1.039 119.537 120.400 0.293 0.000 2.137 356 K HA 0.318 4.643 4.320 0.009 0.000 0.202 356 K C 1.041 177.677 176.600 0.059 0.000 1.052 356 K CA 0.771 57.178 56.287 0.200 0.000 0.961 356 K CB 0.403 32.944 32.500 0.069 0.000 0.741 356 K HN 0.375 nan 8.250 nan 0.000 0.452 357 G N -1.265 107.402 108.800 -0.220 0.000 2.566 357 G HA2 0.264 4.229 3.960 0.009 0.000 0.138 357 G HA3 0.264 4.229 3.960 0.009 0.000 0.138 357 G C -1.139 173.337 174.900 -0.707 0.000 1.133 357 G CA -0.054 44.491 45.100 -0.926 0.000 1.037 357 G HN 0.129 nan 8.290 nan 0.000 0.491 358 T N 0.435 114.615 114.554 -0.624 0.000 2.933 358 T HA 0.608 4.963 4.350 0.009 0.000 0.305 358 T C -1.373 173.008 174.700 -0.531 0.000 1.092 358 T CA -0.473 61.345 62.100 -0.470 0.000 1.008 358 T CB 2.453 71.134 68.868 -0.311 0.000 1.102 358 T HN 0.619 nan 8.240 nan 0.000 0.469 359 E N 1.212 121.197 120.200 -0.359 0.000 2.187 359 E HA 0.701 5.056 4.350 0.009 0.000 0.268 359 E C -1.371 175.130 176.600 -0.165 0.000 0.896 359 E CA -0.816 55.398 56.400 -0.310 0.000 0.766 359 E CB 1.126 30.779 29.700 -0.078 0.000 1.142 359 E HN 0.792 nan 8.360 nan 0.000 0.408 360 A N 3.489 126.238 122.820 -0.118 0.000 2.455 360 A HA 0.712 5.037 4.320 0.009 0.000 0.300 360 A C -1.607 176.052 177.584 0.126 0.000 1.040 360 A CA -0.614 51.490 52.037 0.111 0.000 0.697 360 A CB 2.033 21.181 19.000 0.247 0.000 1.265 360 A HN 0.447 nan 8.150 nan 0.000 0.407 361 V N 0.489 120.586 119.914 0.304 0.000 3.077 361 V HA 0.905 5.030 4.120 0.009 0.000 0.299 361 V C -0.863 175.422 176.094 0.317 0.000 1.276 361 V CA 0.455 62.932 62.300 0.295 0.000 0.993 361 V CB 2.019 34.054 31.823 0.353 0.000 1.076 361 V HN 2.464 nan 8.190 nan 0.000 0.434 362 A N 3.676 126.650 122.820 0.256 0.000 2.601 362 A HA 1.077 5.402 4.320 0.009 0.000 0.291 362 A C -0.971 176.718 177.584 0.174 0.000 1.075 362 A CA -0.089 52.056 52.037 0.180 0.000 0.671 362 A CB 1.681 20.809 19.000 0.214 0.000 1.277 362 A HN 2.437 nan 8.150 nan 0.000 0.417 363 A N -0.049 122.823 122.820 0.087 0.000 2.572 363 A HA 0.910 5.235 4.320 0.009 0.000 0.295 363 A C -0.664 177.033 177.584 0.189 0.000 1.072 363 A CA -0.332 51.804 52.037 0.166 0.000 0.691 363 A CB 1.571 20.663 19.000 0.152 0.000 1.291 363 A HN 1.296 nan 8.150 nan 0.000 0.404 364 T N 1.134 115.845 114.554 0.262 0.000 2.879 364 T HA 0.686 5.041 4.350 0.009 0.000 0.290 364 T C -0.448 174.364 174.700 0.186 0.000 0.993 364 T CA 0.090 62.350 62.100 0.267 0.000 0.975 364 T CB 1.599 70.634 68.868 0.279 0.000 0.981 364 T HN 1.484 nan 8.240 nan 0.000 0.439 365 A N 2.829 125.739 122.820 0.150 0.000 2.291 365 A HA 0.696 5.021 4.320 0.009 0.000 0.311 365 A C -0.283 177.342 177.584 0.069 0.000 1.224 365 A CA -0.644 51.458 52.037 0.109 0.000 0.821 365 A CB 0.657 19.714 19.000 0.095 0.000 1.172 365 A HN 0.701 nan 8.150 nan 0.000 0.494 366 V N 4.997 124.930 119.914 0.031 0.000 2.353 366 V HA 0.218 4.344 4.120 0.009 0.000 0.264 366 V C -0.035 176.021 176.094 -0.063 0.000 1.049 366 V CA 0.093 62.384 62.300 -0.014 0.000 0.896 366 V CB 0.354 32.141 31.823 -0.060 0.000 1.025 366 V HN 0.709 nan 8.190 nan 0.000 0.475 367 I N 6.628 127.163 120.570 -0.060 0.000 2.315 367 I HA 0.456 4.632 4.170 0.009 0.000 0.291 367 I C -0.279 175.740 176.117 -0.164 0.000 1.006 367 I CA -0.107 61.121 61.300 -0.119 0.000 1.265 367 I CB 1.083 39.027 38.000 -0.094 0.000 1.387 367 I HN 0.413 nan 8.210 nan 0.000 0.475 368 I N 5.766 126.187 120.570 -0.249 0.000 2.465 368 I HA 0.313 4.488 4.170 0.009 0.000 0.291 368 I C 0.320 176.261 176.117 -0.293 0.000 1.014 368 I CA -0.206 60.921 61.300 -0.288 0.000 1.093 368 I CB 2.011 39.765 38.000 -0.411 0.000 1.267 368 I HN 0.632 nan 8.210 nan 0.000 0.431 369 S N 0.000 115.570 115.700 -0.216 0.000 2.498 369 S HA 0.000 4.475 4.470 0.009 0.000 0.327 369 S CA 0.000 58.087 58.200 -0.188 0.000 1.107 369 S CB 0.000 63.131 63.200 -0.115 0.000 0.593 369 S HN 0.000 nan 8.310 nan 0.000 0.517