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 2gpw_1_C DATA FIRST_RESID -3 DATA SEQUENCE RGSHMLDKIV IANRGEIALR ILRACKELGI KTVAVHSSAD RDLKHVLLAD DATA SEQUENCE ETVCIGPAPS VKSYLNIPAI ISAAEITGAV AIHPGYGFLS ENANFAEQVE DATA SEQUENCE RSGFIFIGPK AETIRLMGDK VSAIAAMKKA GVPCVPGSDG PLGDDMDKNR DATA SEQUENCE AIAKRIGYPV IIKASGXXXX XGMRVVRGDA ELAQSISMTR AEAKAAFSND DATA SEQUENCE MVYMEKYLEN PRHVEIQVLA DGQGNAIYLA ERDCSMQRRH QKVVEEAPAP DATA SEQUENCE GITPELRRYI GERCAKACVD IGYRGAGTFE FLFENGEFYF IEMNTRIQVE DATA SEQUENCE HPVTEMITGV DLIKEQLRIA AGQPLSIKQE EVHVRGHAVE CRINAEDPNT DATA SEQUENCE FLPSPGKITR FHAPGGAGVR WESHIYAGYT VPPYYDSMIG KLICYGENRD DATA SEQUENCE VAIARMKNAL QELIIDGIKT NVDLQIRIMN DENFQHGGTN IHYLEKKLGL DATA SEQUENCE Q 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 -3 R HA 0.000 nan 4.340 nan 0.000 0.208 -3 R C 0.000 176.301 176.300 0.002 0.000 0.893 -3 R CA 0.000 56.105 56.100 0.008 0.000 0.921 -3 R CB 0.000 30.302 30.300 0.004 0.000 0.687 -2 G N -0.053 108.753 108.800 0.009 0.000 2.194 -2 G HA2 0.011 3.988 3.960 0.029 0.000 0.178 -2 G HA3 0.011 3.988 3.960 0.029 0.000 0.178 -2 G C -0.241 174.671 174.900 0.020 0.000 2.173 -2 G CA 0.199 45.301 45.100 0.003 0.000 1.042 -2 G HN 0.286 nan 8.290 nan 0.000 0.588 -1 S N 0.534 116.261 115.700 0.045 0.000 2.648 -1 S HA 0.373 4.861 4.470 0.029 0.000 0.270 -1 S C 0.066 174.741 174.600 0.126 0.000 1.082 -1 S CA 0.973 59.212 58.200 0.064 0.000 1.116 -1 S CB 0.296 63.533 63.200 0.061 0.000 1.040 -1 S HN 1.615 nan 8.310 nan 0.000 0.572 0 H N -0.422 118.649 119.070 0.003 0.000 3.114 0 H HA 0.310 4.884 4.556 0.029 0.000 0.325 0 H C 0.357 175.687 175.328 0.003 0.000 1.206 0 H CA -0.233 55.817 56.048 0.003 0.000 1.316 0 H CB 0.302 30.066 29.762 0.003 0.000 1.981 0 H HN 0.017 nan 8.280 nan 0.000 0.527 1 M N 3.053 122.293 119.600 -0.599 0.000 2.106 1 M HA -0.014 4.483 4.480 0.029 0.000 0.259 1 M C -0.000 176.188 176.300 -0.187 0.000 1.068 1 M CA 1.588 56.686 55.300 -0.337 0.000 1.100 1 M CB 0.025 32.437 32.600 -0.314 0.000 1.351 1 M HN 0.595 nan 8.290 nan 0.000 0.404 2 L N 1.233 122.357 121.223 -0.164 0.000 2.416 2 L HA -0.036 4.321 4.340 0.029 0.000 0.243 2 L C 1.060 178.058 176.870 0.213 0.000 1.373 2 L CA -0.338 54.593 54.840 0.152 0.000 1.227 2 L CB -0.986 41.248 42.059 0.292 0.000 1.428 2 L HN 0.361 nan 8.230 nan 0.000 0.425 3 D N 1.832 122.295 120.400 0.105 0.000 2.204 3 D HA -0.224 4.434 4.640 0.029 0.000 0.189 3 D C 0.900 177.249 176.300 0.081 0.000 1.006 3 D CA 1.683 55.734 54.000 0.085 0.000 0.855 3 D CB 0.471 41.302 40.800 0.050 0.000 0.946 3 D HN 0.384 nan 8.370 nan 0.000 0.448 4 K N -0.465 119.980 120.400 0.075 0.000 2.422 4 K HA 0.533 4.871 4.320 0.029 0.000 0.251 4 K C -1.245 175.389 176.600 0.056 0.000 0.933 4 K CA -0.596 55.726 56.287 0.057 0.000 0.798 4 K CB 1.669 34.198 32.500 0.048 0.000 1.238 4 K HN -0.054 nan 8.250 nan 0.000 0.428 5 I N 3.106 123.699 120.570 0.038 0.000 2.647 5 I HA 0.272 4.459 4.170 0.029 0.000 0.295 5 I C -0.638 175.485 176.117 0.010 0.000 1.078 5 I CA -1.367 59.950 61.300 0.028 0.000 1.048 5 I CB 2.296 40.319 38.000 0.037 0.000 1.239 5 I HN 0.266 nan 8.210 nan 0.000 0.421 6 V N 6.352 126.261 119.914 -0.009 0.000 2.432 6 V HA 0.317 4.455 4.120 0.029 0.000 0.275 6 V C 0.240 176.346 176.094 0.020 0.000 1.043 6 V CA -0.299 61.993 62.300 -0.013 0.000 0.925 6 V CB 1.406 33.192 31.823 -0.062 0.000 0.985 6 V HN 0.430 nan 8.190 nan 0.000 0.466 7 I N 4.779 125.363 120.570 0.024 0.000 2.282 7 I HA 0.315 4.503 4.170 0.029 0.000 0.290 7 I C 0.954 177.080 176.117 0.015 0.000 1.090 7 I CA -0.161 61.140 61.300 0.001 0.000 1.231 7 I CB 1.033 39.015 38.000 -0.030 0.000 1.434 7 I HN 0.683 nan 8.210 nan 0.000 0.487 8 A N 6.070 128.916 122.820 0.043 0.000 3.077 8 A HA 0.297 4.634 4.320 0.029 0.000 0.255 8 A C 0.200 177.756 177.584 -0.047 0.000 1.728 8 A CA 0.130 52.196 52.037 0.048 0.000 1.383 8 A CB -0.610 18.491 19.000 0.168 0.000 1.097 8 A HN 0.781 nan 8.150 nan 0.000 0.634 9 N N -0.020 118.599 118.700 -0.135 0.000 3.441 9 N HA 0.405 5.163 4.740 0.029 0.000 0.313 9 N C -0.847 174.375 175.510 -0.479 0.000 1.526 9 N CA -0.320 52.511 53.050 -0.364 0.000 0.871 9 N CB 1.170 39.471 38.487 -0.311 0.000 1.779 9 N HN 0.648 nan 8.380 nan 0.000 0.529 10 R N -1.006 119.132 120.500 -0.604 0.000 2.909 10 R HA 0.692 5.050 4.340 0.029 0.000 0.262 10 R C 0.589 176.554 176.300 -0.558 0.000 1.095 10 R CA -0.045 55.725 56.100 -0.551 0.000 0.965 10 R CB -0.119 29.736 30.300 -0.742 0.000 1.300 10 R HN 0.675 nan 8.270 nan 0.000 0.442 11 G N 0.843 109.294 108.800 -0.582 0.000 2.581 11 G HA2 -0.472 3.506 3.960 0.029 0.000 0.291 11 G HA3 -0.472 3.506 3.960 0.029 0.000 0.291 11 G C 0.702 175.109 174.900 -0.822 0.000 1.277 11 G CA 1.191 45.672 45.100 -1.032 0.000 0.959 11 G HN 1.021 nan 8.290 nan 0.000 0.554 12 E N -0.413 119.460 120.200 -0.545 0.000 2.110 12 E HA -0.002 4.366 4.350 0.029 0.000 0.193 12 E C 2.462 178.925 176.600 -0.228 0.000 0.988 12 E CA 2.087 58.367 56.400 -0.201 0.000 0.804 12 E CB -0.181 29.490 29.700 -0.048 0.000 0.745 12 E HN 0.785 nan 8.360 nan 0.000 0.458 13 I N 0.752 121.150 120.570 -0.285 0.000 2.394 13 I HA -0.018 4.169 4.170 0.029 0.000 0.251 13 I C 2.169 178.031 176.117 -0.426 0.000 1.136 13 I CA 1.205 62.301 61.300 -0.339 0.000 1.425 13 I CB -0.593 36.992 38.000 -0.692 0.000 1.079 13 I HN 0.246 nan 8.210 nan 0.000 0.425 14 A N -0.094 122.398 122.820 -0.547 0.000 1.930 14 A HA -0.141 4.196 4.320 0.029 0.000 0.217 14 A C 2.187 179.432 177.584 -0.564 0.000 1.175 14 A CA 1.656 53.274 52.037 -0.698 0.000 0.627 14 A CB -0.939 17.333 19.000 -1.213 0.000 0.815 14 A HN 0.474 nan 8.150 nan 0.000 0.443 15 L N -0.212 120.765 121.223 -0.411 0.000 2.072 15 L HA -0.037 4.321 4.340 0.029 0.000 0.205 15 L C 2.364 179.152 176.870 -0.138 0.000 1.079 15 L CA 2.308 57.045 54.840 -0.172 0.000 0.752 15 L CB -0.587 41.418 42.059 -0.090 0.000 0.906 15 L HN 0.402 nan 8.230 nan 0.000 0.436 16 R N 0.144 120.551 120.500 -0.155 0.000 2.091 16 R HA -0.134 4.223 4.340 0.029 0.000 0.238 16 R C 2.085 178.308 176.300 -0.128 0.000 1.136 16 R CA 2.203 58.245 56.100 -0.097 0.000 0.959 16 R CB -0.787 29.490 30.300 -0.038 0.000 0.856 16 R HN 0.523 nan 8.270 nan 0.000 0.437 17 I N 0.166 120.601 120.570 -0.225 0.000 2.202 17 I HA -0.227 3.961 4.170 0.029 0.000 0.242 17 I C 2.312 178.333 176.117 -0.160 0.000 1.091 17 I CA 1.128 62.268 61.300 -0.266 0.000 1.368 17 I CB -0.361 37.376 38.000 -0.437 0.000 1.058 17 I HN 0.219 nan 8.210 nan 0.000 0.410 18 L N 0.965 122.110 121.223 -0.130 0.000 2.013 18 L HA -0.260 4.098 4.340 0.029 0.000 0.212 18 L C 2.778 179.621 176.870 -0.045 0.000 1.073 18 L CA 1.767 56.574 54.840 -0.055 0.000 0.753 18 L CB -0.338 41.724 42.059 0.004 0.000 0.890 18 L HN 0.082 nan 8.230 nan 0.000 0.432 19 R N -0.512 119.960 120.500 -0.047 0.000 2.091 19 R HA -0.173 4.184 4.340 0.029 0.000 0.238 19 R C 2.317 178.594 176.300 -0.039 0.000 1.136 19 R CA 1.404 57.484 56.100 -0.032 0.000 0.959 19 R CB -0.640 29.644 30.300 -0.026 0.000 0.856 19 R HN 0.581 nan 8.270 nan 0.000 0.437 20 A N 0.320 123.108 122.820 -0.054 0.000 1.933 20 A HA -0.175 4.162 4.320 0.029 0.000 0.218 20 A C 2.357 179.898 177.584 -0.071 0.000 1.175 20 A CA 1.415 53.417 52.037 -0.058 0.000 0.628 20 A CB -0.681 18.280 19.000 -0.065 0.000 0.814 20 A HN 0.453 nan 8.150 nan 0.000 0.444 21 C N -0.637 118.622 119.300 -0.069 0.000 2.462 21 C HA -0.041 4.437 4.460 0.029 0.000 0.278 21 C C 2.667 177.626 174.990 -0.052 0.000 1.253 21 C CA 1.185 60.162 59.018 -0.069 0.000 1.713 21 C CB -1.014 26.698 27.740 -0.046 0.000 2.049 21 C HN 0.620 nan 8.230 nan 0.000 0.477 22 K N 0.834 121.214 120.400 -0.034 0.000 2.103 22 K HA -0.189 4.149 4.320 0.029 0.000 0.207 22 K C 1.839 178.424 176.600 -0.025 0.000 1.048 22 K CA 1.403 57.677 56.287 -0.022 0.000 0.930 22 K CB -0.256 32.236 32.500 -0.014 0.000 0.716 22 K HN 0.600 nan 8.250 nan 0.000 0.444 23 E N 0.590 120.771 120.200 -0.032 0.000 2.153 23 E HA -0.139 4.229 4.350 0.029 0.000 0.194 23 E C 1.426 178.004 176.600 -0.036 0.000 0.988 23 E CA 0.842 57.224 56.400 -0.030 0.000 0.811 23 E CB 0.055 29.736 29.700 -0.032 0.000 0.746 23 E HN 0.272 nan 8.360 nan 0.000 0.466 24 L N -0.517 120.669 121.223 -0.061 0.000 2.628 24 L HA 0.210 4.568 4.340 0.029 0.000 0.229 24 L C 1.074 177.924 176.870 -0.034 0.000 1.137 24 L CA 0.122 54.917 54.840 -0.074 0.000 0.909 24 L CB 0.310 42.255 42.059 -0.190 0.000 1.137 24 L HN 0.230 nan 8.230 nan 0.000 0.470 25 G N 1.219 110.008 108.800 -0.019 0.000 2.160 25 G HA2 -0.292 3.686 3.960 0.029 0.000 0.251 25 G HA3 -0.292 3.686 3.960 0.029 0.000 0.251 25 G C 0.199 175.108 174.900 0.015 0.000 1.008 25 G CA -0.063 45.039 45.100 0.004 0.000 0.724 25 G HN 0.331 nan 8.290 nan 0.000 0.514 26 I N 0.148 120.716 120.570 -0.004 0.000 2.395 26 I HA 0.277 4.464 4.170 0.029 0.000 0.289 26 I C 0.722 176.847 176.117 0.013 0.000 1.023 26 I CA -0.699 60.609 61.300 0.014 0.000 1.350 26 I CB 1.013 39.002 38.000 -0.019 0.000 1.409 26 I HN -0.078 nan 8.210 nan 0.000 0.507 27 K N 3.899 124.315 120.400 0.026 0.000 2.326 27 K HA 0.208 4.546 4.320 0.029 0.000 0.275 27 K C -0.039 176.572 176.600 0.018 0.000 1.018 27 K CA -0.106 56.193 56.287 0.020 0.000 0.962 27 K CB 0.683 33.198 32.500 0.024 0.000 0.953 27 K HN 0.659 nan 8.250 nan 0.000 0.475 28 T N -1.452 113.110 114.554 0.014 0.000 2.859 28 T HA 0.591 4.958 4.350 0.029 0.000 0.281 28 T C -0.519 174.191 174.700 0.017 0.000 1.005 28 T CA -0.955 61.155 62.100 0.017 0.000 1.025 28 T CB 1.109 69.990 68.868 0.020 0.000 0.977 28 T HN 0.097 nan 8.240 nan 0.000 0.458 29 V N 2.218 122.143 119.914 0.019 0.000 2.376 29 V HA 0.696 4.833 4.120 0.029 0.000 0.287 29 V C 0.130 176.245 176.094 0.035 0.000 1.015 29 V CA -0.978 61.330 62.300 0.014 0.000 0.834 29 V CB 1.142 32.961 31.823 -0.006 0.000 1.001 29 V HN 1.252 nan 8.190 nan 0.000 0.428 30 A N 5.531 128.379 122.820 0.047 0.000 2.273 30 A HA 0.732 5.070 4.320 0.029 0.000 0.320 30 A C -0.114 177.533 177.584 0.106 0.000 1.358 30 A CA -0.498 51.598 52.037 0.098 0.000 0.910 30 A CB 0.770 19.775 19.000 0.008 0.000 1.159 30 A HN 1.148 nan 8.150 nan 0.000 0.526 31 V N 1.915 121.875 119.914 0.076 0.000 2.732 31 V HA 0.826 4.963 4.120 0.029 0.000 0.297 31 V C -0.290 175.832 176.094 0.047 0.000 1.060 31 V CA -0.118 62.158 62.300 -0.040 0.000 1.038 31 V CB 0.448 32.218 31.823 -0.088 0.000 1.003 31 V HN 1.179 nan 8.190 nan 0.000 0.481 32 H N 0.795 119.808 119.070 -0.096 0.000 3.037 32 H HA 0.720 5.294 4.556 0.029 0.000 0.336 32 H C -0.385 174.785 175.328 -0.264 0.000 1.323 32 H CA -0.202 55.792 56.048 -0.089 0.000 1.159 32 H CB 0.727 30.502 29.762 0.023 0.000 1.882 32 H HN 0.968 nan 8.280 nan 0.000 0.535 33 S N 0.393 115.972 115.700 -0.201 0.000 2.624 33 S HA 0.157 4.644 4.470 0.029 0.000 0.263 33 S C 1.184 175.845 174.600 0.102 0.000 1.287 33 S CA -0.142 57.946 58.200 -0.187 0.000 0.990 33 S CB 0.960 64.086 63.200 -0.124 0.000 0.950 33 S HN 1.073 nan 8.310 nan 0.000 0.561 34 S N 0.546 116.251 115.700 0.009 0.000 2.440 34 S HA -0.085 4.402 4.470 0.029 0.000 0.238 34 S C 1.649 176.302 174.600 0.089 0.000 1.010 34 S CA 0.640 58.877 58.200 0.061 0.000 0.972 34 S CB -0.960 62.232 63.200 -0.013 0.000 0.774 34 S HN 1.110 nan 8.310 nan 0.000 0.501 35 A N 0.809 123.679 122.820 0.083 0.000 2.218 35 A HA 0.198 4.535 4.320 0.029 0.000 0.209 35 A C 1.041 178.761 177.584 0.227 0.000 1.168 35 A CA 0.470 52.589 52.037 0.137 0.000 0.804 35 A CB 0.008 19.066 19.000 0.097 0.000 0.834 35 A HN 0.366 nan 8.150 nan 0.000 0.482 36 D N -0.854 119.688 120.400 0.236 0.000 2.559 36 D HA 0.096 4.754 4.640 0.029 0.000 0.234 36 D C 1.425 177.707 176.300 -0.029 0.000 1.226 36 D CA -0.140 53.987 54.000 0.210 0.000 0.830 36 D CB 0.042 41.017 40.800 0.292 0.000 1.028 36 D HN 0.298 nan 8.370 nan 0.000 0.492 37 R N 0.603 121.051 120.500 -0.087 0.000 2.189 37 R HA -0.068 4.290 4.340 0.029 0.000 0.223 37 R C -0.142 176.065 176.300 -0.155 0.000 1.092 37 R CA 0.906 56.823 56.100 -0.305 0.000 0.989 37 R CB 0.339 30.575 30.300 -0.108 0.000 0.876 37 R HN 0.012 nan 8.270 nan 0.000 0.457 38 D N 0.615 121.036 120.400 0.035 0.000 2.463 38 D HA 0.105 4.763 4.640 0.029 0.000 0.224 38 D C -0.026 176.428 176.300 0.256 0.000 1.174 38 D CA -0.106 53.988 54.000 0.156 0.000 0.829 38 D CB 0.313 41.271 40.800 0.263 0.000 0.993 38 D HN 0.167 nan 8.370 nan 0.000 0.497 39 L N 1.302 122.603 121.223 0.130 0.000 2.453 39 L HA 0.034 4.391 4.340 0.029 0.000 0.272 39 L C 2.050 178.961 176.870 0.068 0.000 1.182 39 L CA 0.030 54.947 54.840 0.129 0.000 0.858 39 L CB 1.168 43.282 42.059 0.091 0.000 1.120 39 L HN -0.108 nan 8.230 nan 0.000 0.474 40 K N 2.484 122.963 120.400 0.132 0.000 2.074 40 K HA -0.253 4.085 4.320 0.029 0.000 0.209 40 K C 2.054 178.674 176.600 0.034 0.000 1.048 40 K CA 1.986 58.324 56.287 0.085 0.000 0.926 40 K CB -0.101 32.469 32.500 0.116 0.000 0.713 40 K HN 0.825 nan 8.250 nan 0.000 0.444 41 H N -0.381 118.673 119.070 -0.025 0.000 2.423 41 H HA -0.044 4.530 4.556 0.029 0.000 0.297 41 H C 1.891 177.197 175.328 -0.037 0.000 1.075 41 H CA 1.275 57.297 56.048 -0.044 0.000 1.342 41 H CB -0.489 29.228 29.762 -0.075 0.000 1.395 41 H HN 0.065 nan 8.280 nan 0.000 0.530 42 V N 1.950 121.410 119.914 -0.756 0.000 2.343 42 V HA -0.242 3.895 4.120 0.029 0.000 0.247 42 V C 3.050 178.994 176.094 -0.250 0.000 1.051 42 V CA 1.620 63.580 62.300 -0.567 0.000 1.036 42 V CB -0.610 30.916 31.823 -0.493 0.000 0.654 42 V HN 0.298 nan 8.190 nan 0.000 0.451 43 L N -0.999 120.121 121.223 -0.173 0.000 2.275 43 L HA -0.086 4.271 4.340 0.029 0.000 0.215 43 L C 2.078 178.901 176.870 -0.078 0.000 1.119 43 L CA 1.108 55.885 54.840 -0.106 0.000 0.790 43 L CB -0.332 41.671 42.059 -0.093 0.000 0.919 43 L HN 0.313 nan 8.230 nan 0.000 0.443 44 L N -0.779 120.402 121.223 -0.070 0.000 2.513 44 L HA 0.248 4.605 4.340 0.029 0.000 0.222 44 L C 1.436 178.290 176.870 -0.026 0.000 1.096 44 L CA -0.452 54.367 54.840 -0.036 0.000 0.857 44 L CB -0.057 41.995 42.059 -0.011 0.000 1.026 44 L HN 0.099 nan 8.230 nan 0.000 0.469 45 A N 0.130 122.926 122.820 -0.042 0.000 2.466 45 A HA -0.034 4.303 4.320 0.029 0.000 0.238 45 A C 0.763 178.338 177.584 -0.014 0.000 1.074 45 A CA -0.041 51.984 52.037 -0.019 0.000 0.774 45 A CB 0.183 19.165 19.000 -0.031 0.000 1.015 45 A HN 0.171 nan 8.150 nan 0.000 0.498 46 D N 0.323 120.722 120.400 -0.002 0.000 2.123 46 D HA -0.007 4.650 4.640 0.029 0.000 0.200 46 D C 0.246 176.546 176.300 -0.000 0.000 0.976 46 D CA 1.389 55.389 54.000 -0.001 0.000 0.831 46 D CB 0.228 41.031 40.800 0.005 0.000 0.974 46 D HN 0.748 nan 8.370 nan 0.000 0.469 47 E N -0.439 119.762 120.200 0.003 0.000 2.293 47 E HA 0.393 4.760 4.350 0.029 0.000 0.270 47 E C -0.648 175.958 176.600 0.011 0.000 0.879 47 E CA -0.537 55.866 56.400 0.005 0.000 0.756 47 E CB 2.444 32.147 29.700 0.005 0.000 1.208 47 E HN -0.042 nan 8.360 nan 0.000 0.428 48 T N -1.654 112.914 114.554 0.023 0.000 2.887 48 T HA 0.684 5.052 4.350 0.029 0.000 0.288 48 T C -0.625 174.101 174.700 0.043 0.000 1.021 48 T CA -0.738 61.403 62.100 0.068 0.000 1.000 48 T CB 1.286 70.216 68.868 0.103 0.000 1.034 48 T HN 0.148 nan 8.240 nan 0.000 0.467 49 V N 1.862 121.766 119.914 -0.017 0.000 2.567 49 V HA 0.376 4.514 4.120 0.029 0.000 0.298 49 V C 0.124 175.949 176.094 -0.448 0.000 1.047 49 V CA -1.225 60.984 62.300 -0.152 0.000 0.880 49 V CB 1.369 33.120 31.823 -0.119 0.000 1.009 49 V HN 1.303 nan 8.190 nan 0.000 0.429 50 C N 7.125 126.138 119.300 -0.478 0.000 2.566 50 C HA 0.454 4.932 4.460 0.029 0.000 0.393 50 C C 1.600 176.360 174.990 -0.382 0.000 1.309 50 C CA -0.292 58.340 59.018 -0.642 0.000 1.801 50 C CB -1.129 26.420 27.740 -0.319 0.000 2.493 50 C HN 0.889 nan 8.230 nan 0.000 0.575 51 I N 4.593 124.917 120.570 -0.411 0.000 3.891 51 I HA 0.550 4.738 4.170 0.029 0.000 0.331 51 I C 0.745 176.702 176.117 -0.266 0.000 1.406 51 I CA 0.395 61.514 61.300 -0.302 0.000 1.139 51 I CB -0.738 37.068 38.000 -0.324 0.000 1.056 51 I HN 0.867 nan 8.210 nan 0.000 0.399 52 G N 1.874 110.525 108.800 -0.248 0.000 2.359 52 G HA2 0.050 4.028 3.960 0.029 0.000 0.303 52 G HA3 0.050 4.028 3.960 0.029 0.000 0.303 52 G C -3.335 171.460 174.900 -0.175 0.000 1.293 52 G CA -0.772 44.215 45.100 -0.188 0.000 0.964 52 G HN 0.014 nan 8.290 nan 0.000 0.531 53 P HA 0.427 nan 4.420 nan 0.000 0.274 53 P C 1.288 178.480 177.300 -0.180 0.000 1.256 53 P CA 0.774 63.792 63.100 -0.136 0.000 0.795 53 P CB 0.911 32.548 31.700 -0.104 0.000 1.038 54 A N 1.961 124.609 122.820 -0.287 0.000 1.894 54 A HA -0.138 4.199 4.320 0.029 0.000 0.220 54 A C -1.057 176.352 177.584 -0.292 0.000 1.237 54 A CA 1.609 53.332 52.037 -0.524 0.000 0.660 54 A CB -2.882 15.193 19.000 -1.541 0.000 0.835 54 A HN 0.554 nan 8.150 nan 0.000 0.461 55 P HA 0.024 nan 4.420 nan 0.000 0.263 55 P C 0.632 178.021 177.300 0.149 0.000 1.168 55 P CA 0.880 64.003 63.100 0.039 0.000 0.759 55 P CB 0.514 32.235 31.700 0.036 0.000 0.782 56 S N 2.318 118.216 115.700 0.328 0.000 2.368 56 S HA -0.144 4.344 4.470 0.029 0.000 0.225 56 S C 1.843 176.569 174.600 0.211 0.000 1.030 56 S CA 1.622 60.077 58.200 0.425 0.000 0.999 56 S CB -0.981 62.613 63.200 0.657 0.000 0.844 56 S HN 0.551 nan 8.310 nan 0.000 0.459 57 V N 0.638 120.649 119.914 0.161 0.000 2.453 57 V HA -0.117 4.021 4.120 0.029 0.000 0.252 57 V C 1.466 177.575 176.094 0.026 0.000 1.068 57 V CA 1.606 63.960 62.300 0.090 0.000 1.070 57 V CB -0.688 31.180 31.823 0.075 0.000 0.664 57 V HN 0.388 nan 8.190 nan 0.000 0.461 58 K N 0.601 121.002 120.400 0.002 0.000 2.374 58 K HA 0.227 4.565 4.320 0.029 0.000 0.196 58 K C 1.535 178.064 176.600 -0.119 0.000 1.023 58 K CA 0.758 57.015 56.287 -0.050 0.000 1.103 58 K CB 0.494 32.966 32.500 -0.047 0.000 0.848 58 K HN 0.785 nan 8.250 nan 0.000 0.528 59 S N -0.833 114.771 115.700 -0.159 0.000 3.884 59 S HA 0.010 4.498 4.470 0.029 0.000 0.174 59 S C 1.425 175.759 174.600 -0.442 0.000 0.872 59 S CA -0.364 57.621 58.200 -0.359 0.000 1.015 59 S CB -0.607 62.277 63.200 -0.527 0.000 1.395 59 S HN 0.095 nan 8.310 nan 0.000 0.737 60 Y N 2.262 122.401 120.300 -0.268 0.000 2.574 60 Y HA 0.366 4.934 4.550 0.030 0.000 0.294 60 Y C 1.644 177.332 175.900 -0.352 0.000 1.142 60 Y CA 0.450 58.243 58.100 -0.512 0.000 1.314 60 Y CB -0.444 37.292 38.460 -1.205 0.000 0.991 60 Y HN 0.248 nan 8.280 nan 0.000 0.555 61 L N -0.442 120.743 121.223 -0.062 0.000 2.808 61 L HA 0.159 4.516 4.340 0.029 0.000 0.246 61 L C 0.474 177.280 176.870 -0.106 0.000 1.153 61 L CA -0.141 54.678 54.840 -0.035 0.000 0.956 61 L CB 0.073 42.187 42.059 0.092 0.000 1.270 61 L HN -0.025 nan 8.230 nan 0.000 0.528 62 N N 1.553 120.164 118.700 -0.149 0.000 2.555 62 N HA 0.176 4.933 4.740 0.029 0.000 0.244 62 N C 1.042 176.467 175.510 -0.140 0.000 1.114 62 N CA 0.091 53.064 53.050 -0.128 0.000 0.963 62 N CB 0.559 38.962 38.487 -0.140 0.000 1.276 62 N HN 0.197 nan 8.380 nan 0.000 0.510 63 I N 3.840 124.346 120.570 -0.108 0.000 2.127 63 I HA -0.177 4.010 4.170 0.029 0.000 0.241 63 I C -0.511 175.630 176.117 0.039 0.000 1.075 63 I CA 1.050 62.326 61.300 -0.040 0.000 1.334 63 I CB -1.133 36.900 38.000 0.055 0.000 1.040 63 I HN 0.408 nan 8.210 nan 0.000 0.405 64 P HA -0.170 nan 4.420 nan 0.000 0.218 64 P C 1.394 178.694 177.300 0.001 0.000 1.149 64 P CA 2.020 65.136 63.100 0.028 0.000 0.817 64 P CB 0.012 31.720 31.700 0.014 0.000 0.785 65 A N -0.090 122.706 122.820 -0.039 0.000 1.930 65 A HA -0.097 4.240 4.320 0.029 0.000 0.217 65 A C 2.349 179.889 177.584 -0.074 0.000 1.175 65 A CA 1.143 53.137 52.037 -0.071 0.000 0.627 65 A CB -1.432 17.499 19.000 -0.115 0.000 0.815 65 A HN 0.127 nan 8.150 nan 0.000 0.443 66 I N -0.581 119.952 120.570 -0.062 0.000 2.353 66 I HA -0.186 4.001 4.170 0.029 0.000 0.248 66 I C 2.202 178.314 176.117 -0.008 0.000 1.119 66 I CA 0.990 62.268 61.300 -0.037 0.000 1.417 66 I CB -0.208 37.785 38.000 -0.011 0.000 1.078 66 I HN 0.276 nan 8.210 nan 0.000 0.421 67 I N -0.019 120.580 120.570 0.047 0.000 2.315 67 I HA -0.243 3.945 4.170 0.029 0.000 0.248 67 I C 2.573 178.672 176.117 -0.031 0.000 1.117 67 I CA 1.066 62.375 61.300 0.015 0.000 1.404 67 I CB -0.177 37.904 38.000 0.135 0.000 1.071 67 I HN 0.130 nan 8.210 nan 0.000 0.419 68 S N 0.809 116.507 115.700 -0.003 0.000 2.368 68 S HA -0.196 4.292 4.470 0.029 0.000 0.225 68 S C 2.278 176.855 174.600 -0.039 0.000 1.030 68 S CA 1.377 59.577 58.200 -0.001 0.000 0.999 68 S CB -0.380 62.814 63.200 -0.010 0.000 0.844 68 S HN 0.551 nan 8.310 nan 0.000 0.459 69 A N 1.419 124.193 122.820 -0.077 0.000 1.940 69 A HA 0.021 4.358 4.320 0.029 0.000 0.219 69 A C 2.303 179.814 177.584 -0.122 0.000 1.176 69 A CA 1.806 53.789 52.037 -0.091 0.000 0.631 69 A CB -0.947 17.992 19.000 -0.102 0.000 0.814 69 A HN 0.535 nan 8.150 nan 0.000 0.446 70 A N -0.637 122.036 122.820 -0.245 0.000 1.968 70 A HA -0.062 4.276 4.320 0.029 0.000 0.217 70 A C 1.909 179.373 177.584 -0.200 0.000 1.169 70 A CA 1.430 53.189 52.037 -0.463 0.000 0.638 70 A CB -0.347 17.922 19.000 -1.219 0.000 0.812 70 A HN 0.629 nan 8.150 nan 0.000 0.446 71 E N -0.039 120.166 120.200 0.009 0.000 2.046 71 E HA -0.129 4.238 4.350 0.029 0.000 0.190 71 E C 1.956 178.633 176.600 0.128 0.000 0.982 71 E CA 1.413 57.967 56.400 0.256 0.000 0.800 71 E CB -0.329 29.504 29.700 0.222 0.000 0.756 71 E HN 0.867 nan 8.360 nan 0.000 0.449 72 I N -0.569 120.034 120.570 0.054 0.000 2.830 72 I HA -0.067 4.121 4.170 0.029 0.000 0.263 72 I C 2.053 178.188 176.117 0.029 0.000 1.230 72 I CA 1.382 62.702 61.300 0.034 0.000 1.480 72 I CB -0.308 37.697 38.000 0.010 0.000 1.095 72 I HN -0.019 nan 8.210 nan 0.000 0.455 73 T N -2.493 112.076 114.554 0.025 0.000 3.060 73 T HA 0.391 4.758 4.350 0.029 0.000 0.249 73 T C 1.562 176.292 174.700 0.049 0.000 1.079 73 T CA 0.337 62.450 62.100 0.022 0.000 1.013 73 T CB 0.158 69.025 68.868 -0.001 0.000 0.975 73 T HN 0.676 nan 8.240 nan 0.000 0.518 74 G N 1.595 110.449 108.800 0.090 0.000 2.176 74 G HA2 -0.033 3.944 3.960 0.029 0.000 0.252 74 G HA3 -0.033 3.944 3.960 0.029 0.000 0.252 74 G C 0.341 175.326 174.900 0.142 0.000 1.024 74 G CA -0.011 45.161 45.100 0.120 0.000 0.755 74 G HN 1.154 nan 8.290 nan 0.000 0.507 75 A N -1.363 121.541 122.820 0.140 0.000 2.429 75 A HA 0.693 5.030 4.320 0.029 0.000 0.242 75 A C 1.467 179.210 177.584 0.265 0.000 1.088 75 A CA 0.802 52.908 52.037 0.116 0.000 0.784 75 A CB 0.844 19.833 19.000 -0.019 0.000 1.038 75 A HN 1.008 nan 8.150 nan 0.000 0.501 76 V N -0.213 119.821 119.914 0.200 0.000 3.455 76 V HA 0.420 4.557 4.120 0.029 0.000 0.250 76 V C 0.972 177.205 176.094 0.232 0.000 1.230 76 V CA 1.293 63.727 62.300 0.223 0.000 1.105 76 V CB -0.168 31.721 31.823 0.109 0.000 0.850 76 V HN 1.145 nan 8.190 nan 0.000 0.461 77 A N -0.114 122.791 122.820 0.142 0.000 2.527 77 A HA 0.869 5.206 4.320 0.029 0.000 0.293 77 A C -1.334 176.259 177.584 0.014 0.000 1.117 77 A CA -0.483 51.604 52.037 0.084 0.000 0.723 77 A CB 1.822 20.849 19.000 0.046 0.000 1.313 77 A HN 0.133 nan 8.150 nan 0.000 0.411 78 I N 1.262 121.816 120.570 -0.026 0.000 2.534 78 I HA 0.295 4.482 4.170 0.029 0.000 0.288 78 I C -1.154 174.909 176.117 -0.090 0.000 1.077 78 I CA -0.496 60.784 61.300 -0.033 0.000 1.051 78 I CB 2.077 40.067 38.000 -0.017 0.000 1.234 78 I HN 0.727 nan 8.210 nan 0.000 0.425 79 H N 8.454 127.461 119.070 -0.104 0.000 2.504 79 H HA 0.387 4.960 4.556 0.028 0.000 0.322 79 H C -2.218 173.062 175.328 -0.080 0.000 1.055 79 H CA -2.210 53.744 56.048 -0.157 0.000 1.231 79 H CB 2.365 32.045 29.762 -0.137 0.000 1.417 79 H HN 0.303 nan 8.280 nan 0.000 0.472 80 P HA 0.121 nan 4.420 nan 0.000 0.262 80 P C 0.849 178.270 177.300 0.201 0.000 1.304 80 P CA 0.712 63.968 63.100 0.260 0.000 0.859 80 P CB 0.597 32.517 31.700 0.366 0.000 1.310 81 G N 1.444 110.418 108.800 0.290 0.000 2.627 81 G HA2 -0.267 3.710 3.960 0.029 0.000 0.312 81 G HA3 -0.267 3.710 3.960 0.029 0.000 0.312 81 G C -0.482 174.447 174.900 0.048 0.000 1.299 81 G CA 0.790 45.864 45.100 -0.043 0.000 0.989 81 G HN 0.459 nan 8.290 nan 0.000 0.547 82 Y N -1.280 119.059 120.300 0.065 0.000 2.598 82 Y HA 0.697 5.265 4.550 0.029 0.000 0.340 82 Y C 0.836 176.768 175.900 0.054 0.000 1.038 82 Y CA -0.632 57.505 58.100 0.060 0.000 1.100 82 Y CB 0.966 39.438 38.460 0.021 0.000 1.281 82 Y HN 2.556 nan 8.280 nan 0.000 0.488 83 G N 1.171 110.152 108.800 0.301 0.000 2.698 83 G HA2 -0.185 3.792 3.960 0.029 0.000 0.233 83 G HA3 -0.185 3.792 3.960 0.029 0.000 0.233 83 G C -0.048 174.920 174.900 0.113 0.000 1.352 83 G CA 0.159 45.314 45.100 0.092 0.000 0.879 83 G HN 1.322 nan 8.290 nan 0.000 0.567 84 F N -1.985 118.005 119.950 0.067 0.000 2.797 84 F HA -0.339 4.205 4.527 0.029 0.000 0.230 84 F C 2.365 178.190 175.800 0.042 0.000 1.480 84 F CA 2.369 60.391 58.000 0.036 0.000 1.923 84 F CB -1.172 37.822 39.000 -0.011 0.000 0.481 84 F HN 0.478 nan 8.300 nan 0.000 0.259 85 L N 0.367 121.757 121.223 0.278 0.000 2.640 85 L HA 0.112 4.469 4.340 0.029 0.000 0.230 85 L C 1.976 179.077 176.870 0.386 0.000 1.123 85 L CA 0.650 55.604 54.840 0.190 0.000 0.900 85 L CB -0.329 41.612 42.059 -0.196 0.000 1.146 85 L HN 0.546 nan 8.230 nan 0.000 0.484 86 S N 0.048 115.965 115.700 0.361 0.000 2.419 86 S HA -0.198 4.289 4.470 0.029 0.000 0.235 86 S C 1.211 176.034 174.600 0.372 0.000 1.019 86 S CA 1.151 59.589 58.200 0.396 0.000 0.982 86 S CB -0.204 63.163 63.200 0.277 0.000 0.789 86 S HN 0.585 nan 8.310 nan 0.000 0.490 87 E N 1.168 121.522 120.200 0.257 0.000 2.736 87 E HA 0.241 4.608 4.350 0.029 0.000 0.208 87 E C -0.610 176.073 176.600 0.138 0.000 0.996 87 E CA -0.319 56.192 56.400 0.185 0.000 1.104 87 E CB 0.181 29.962 29.700 0.134 0.000 1.111 87 E HN 0.359 nan 8.360 nan 0.000 0.455 88 N N 1.179 119.979 118.700 0.166 0.000 2.527 88 N HA 0.163 4.920 4.740 0.029 0.000 0.236 88 N C 0.616 176.155 175.510 0.048 0.000 0.999 88 N CA -0.003 53.118 53.050 0.119 0.000 0.935 88 N CB 1.308 39.890 38.487 0.158 0.000 1.132 88 N HN 0.101 nan 8.380 nan 0.000 0.511 89 A N 4.055 126.873 122.820 -0.004 0.000 1.948 89 A HA -0.228 4.110 4.320 0.029 0.000 0.220 89 A C 1.965 179.497 177.584 -0.088 0.000 1.177 89 A CA 1.665 53.654 52.037 -0.080 0.000 0.636 89 A CB -0.708 18.266 19.000 -0.043 0.000 0.815 89 A HN 0.885 nan 8.150 nan 0.000 0.449 90 N N -1.645 117.049 118.700 -0.009 0.000 2.069 90 N HA -0.190 4.567 4.740 0.029 0.000 0.191 90 N C 1.746 177.283 175.510 0.045 0.000 1.031 90 N CA 1.476 54.534 53.050 0.013 0.000 0.852 90 N CB -0.262 38.251 38.487 0.045 0.000 1.018 90 N HN 0.585 nan 8.380 nan 0.000 0.423 91 F N 1.302 121.192 119.950 -0.100 0.000 2.075 91 F HA -0.191 4.353 4.527 0.029 0.000 0.297 91 F C 2.404 178.075 175.800 -0.216 0.000 1.113 91 F CA 1.344 59.288 58.000 -0.094 0.000 1.218 91 F CB -0.258 38.723 39.000 -0.031 0.000 0.984 91 F HN 0.093 nan 8.300 nan 0.000 0.472 92 A N 0.400 122.833 122.820 -0.644 0.000 1.892 92 A HA -0.274 4.063 4.320 0.029 0.000 0.218 92 A C 1.956 179.203 177.584 -0.562 0.000 1.188 92 A CA 2.150 53.475 52.037 -1.188 0.000 0.631 92 A CB -1.039 17.055 19.000 -1.509 0.000 0.822 92 A HN 0.617 nan 8.150 nan 0.000 0.447 93 E N -0.394 119.611 120.200 -0.325 0.000 2.058 93 E HA -0.243 4.124 4.350 0.029 0.000 0.194 93 E C 2.349 178.879 176.600 -0.117 0.000 0.997 93 E CA 1.544 57.839 56.400 -0.175 0.000 0.801 93 E CB -0.240 29.395 29.700 -0.107 0.000 0.746 93 E HN 0.758 nan 8.360 nan 0.000 0.450 94 Q N 0.366 120.114 119.800 -0.086 0.000 2.079 94 Q HA -0.118 4.239 4.340 0.029 0.000 0.200 94 Q C 2.480 178.476 176.000 -0.007 0.000 0.974 94 Q CA 1.198 56.993 55.803 -0.014 0.000 0.840 94 Q CB -0.108 28.665 28.738 0.058 0.000 0.898 94 Q HN 0.150 nan 8.270 nan 0.000 0.430 95 V N 1.727 121.578 119.914 -0.104 0.000 2.252 95 V HA -0.271 3.867 4.120 0.029 0.000 0.249 95 V C 2.266 178.404 176.094 0.072 0.000 1.056 95 V CA 1.911 64.195 62.300 -0.027 0.000 1.022 95 V CB -0.509 31.163 31.823 -0.251 0.000 0.641 95 V HN 0.340 nan 8.190 nan 0.000 0.445 96 E N -0.162 120.023 120.200 -0.025 0.000 2.077 96 E HA -0.238 4.129 4.350 0.029 0.000 0.193 96 E C 2.360 178.939 176.600 -0.035 0.000 0.989 96 E CA 1.200 57.590 56.400 -0.016 0.000 0.800 96 E CB -0.334 29.338 29.700 -0.047 0.000 0.746 96 E HN 0.383 nan 8.360 nan 0.000 0.452 97 R N 0.776 121.255 120.500 -0.035 0.000 2.105 97 R HA -0.026 4.332 4.340 0.029 0.000 0.239 97 R C 2.104 178.378 176.300 -0.043 0.000 1.135 97 R CA 1.370 57.449 56.100 -0.036 0.000 0.967 97 R CB -0.325 29.962 30.300 -0.023 0.000 0.861 97 R HN -0.063 nan 8.270 nan 0.000 0.442 98 S N -1.150 114.544 115.700 -0.010 0.000 2.607 98 S HA 0.177 4.664 4.470 0.029 0.000 0.224 98 S C 0.926 175.325 174.600 -0.335 0.000 0.969 98 S CA 0.694 58.868 58.200 -0.043 0.000 0.927 98 S CB 0.571 63.887 63.200 0.194 0.000 0.772 98 S HN 0.678 nan 8.310 nan 0.000 0.533 99 G N 0.736 109.357 108.800 -0.298 0.000 2.131 99 G HA2 -0.216 3.761 3.960 0.029 0.000 0.223 99 G HA3 -0.216 3.761 3.960 0.029 0.000 0.223 99 G C -0.182 174.393 174.900 -0.541 0.000 0.990 99 G CA -0.469 44.379 45.100 -0.421 0.000 0.671 99 G HN 0.392 nan 8.290 nan 0.000 0.521 100 F N -0.134 119.805 119.950 -0.020 0.000 2.507 100 F HA 0.724 5.268 4.527 0.029 0.000 0.327 100 F C 0.906 176.698 175.800 -0.014 0.000 1.068 100 F CA -1.514 56.477 58.000 -0.015 0.000 0.965 100 F CB 1.180 40.174 39.000 -0.010 0.000 1.192 100 F HN -0.056 nan 8.300 nan 0.000 0.476 101 I N 2.387 123.066 120.570 0.182 0.000 2.395 101 I HA 0.097 4.284 4.170 0.029 0.000 0.289 101 I C -0.644 175.523 176.117 0.083 0.000 1.023 101 I CA -0.293 61.062 61.300 0.091 0.000 1.350 101 I CB 0.670 38.694 38.000 0.040 0.000 1.409 101 I HN 0.445 nan 8.210 nan 0.000 0.507 102 F N 7.752 127.652 119.950 -0.082 0.000 2.404 102 F HA 0.430 4.975 4.527 0.029 0.000 0.358 102 F C 0.311 176.023 175.800 -0.147 0.000 1.120 102 F CA -0.571 57.340 58.000 -0.148 0.000 1.144 102 F CB 0.499 39.383 39.000 -0.192 0.000 1.133 102 F HN 0.273 nan 8.300 nan 0.000 0.495 103 I N 7.460 127.577 120.570 -0.755 0.000 2.352 103 I HA 0.316 4.503 4.170 0.029 0.000 0.303 103 I C 0.671 176.240 176.117 -0.913 0.000 1.194 103 I CA 0.398 61.289 61.300 -0.682 0.000 1.518 103 I CB -1.040 36.563 38.000 -0.662 0.000 1.489 103 I HN 0.808 nan 8.210 nan 0.000 0.702 104 G N 6.820 115.268 108.800 -0.588 0.000 2.341 104 G HA2 0.314 4.291 3.960 0.029 0.000 0.299 104 G HA3 0.314 4.291 3.960 0.029 0.000 0.299 104 G C -3.205 171.649 174.900 -0.077 0.000 1.274 104 G CA -0.610 44.296 45.100 -0.324 0.000 0.853 104 G HN 0.152 nan 8.290 nan 0.000 0.493 105 P HA 0.287 nan 4.420 nan 0.000 0.277 105 P C -0.526 176.758 177.300 -0.028 0.000 1.276 105 P CA -0.234 62.740 63.100 -0.210 0.000 0.788 105 P CB 0.860 32.310 31.700 -0.417 0.000 1.114 106 K N -0.489 119.859 120.400 -0.088 0.000 2.319 106 K HA 0.223 4.560 4.320 0.029 0.000 0.265 106 K C 1.585 178.151 176.600 -0.057 0.000 1.000 106 K CA -0.076 56.180 56.287 -0.051 0.000 0.943 106 K CB 0.163 32.630 32.500 -0.054 0.000 0.950 106 K HN 0.376 nan 8.250 nan 0.000 0.485 107 A N 2.752 125.520 122.820 -0.087 0.000 1.917 107 A HA -0.229 4.108 4.320 0.029 0.000 0.219 107 A C 1.862 179.412 177.584 -0.056 0.000 1.182 107 A CA 1.872 53.843 52.037 -0.109 0.000 0.633 107 A CB -0.490 18.436 19.000 -0.123 0.000 0.819 107 A HN 0.904 nan 8.150 nan 0.000 0.448 108 E N -0.303 119.873 120.200 -0.039 0.000 2.204 108 E HA -0.160 4.208 4.350 0.029 0.000 0.195 108 E C 1.629 178.231 176.600 0.002 0.000 0.990 108 E CA 1.692 58.082 56.400 -0.017 0.000 0.821 108 E CB -1.189 28.503 29.700 -0.013 0.000 0.750 108 E HN 0.524 nan 8.360 nan 0.000 0.477 109 T N 1.756 116.313 114.554 0.005 0.000 2.942 109 T HA 0.087 4.455 4.350 0.029 0.000 0.265 109 T C 2.135 176.873 174.700 0.064 0.000 1.062 109 T CA 0.686 62.812 62.100 0.044 0.000 1.139 109 T CB -0.124 68.767 68.868 0.037 0.000 0.883 109 T HN 0.121 nan 8.240 nan 0.000 0.468 110 I N 0.972 121.565 120.570 0.038 0.000 2.226 110 I HA -0.169 4.019 4.170 0.029 0.000 0.245 110 I C 2.792 178.933 176.117 0.042 0.000 1.100 110 I CA 1.335 62.666 61.300 0.052 0.000 1.374 110 I CB -0.322 37.692 38.000 0.024 0.000 1.057 110 I HN 0.134 nan 8.210 nan 0.000 0.413 111 R N 0.265 120.778 120.500 0.021 0.000 2.075 111 R HA -0.163 4.195 4.340 0.029 0.000 0.232 111 R C 2.297 178.614 176.300 0.029 0.000 1.126 111 R CA 1.164 57.276 56.100 0.020 0.000 0.963 111 R CB -0.549 29.755 30.300 0.006 0.000 0.858 111 R HN 0.208 nan 8.270 nan 0.000 0.435 112 L N 0.584 121.827 121.223 0.033 0.000 1.990 112 L HA -0.181 4.177 4.340 0.029 0.000 0.213 112 L C 1.934 178.834 176.870 0.051 0.000 1.072 112 L CA 1.941 56.804 54.840 0.038 0.000 0.755 112 L CB -0.248 41.836 42.059 0.042 0.000 0.889 112 L HN 0.137 nan 8.230 nan 0.000 0.432 113 M N -0.787 118.853 119.600 0.066 0.000 2.506 113 M HA 0.137 4.634 4.480 0.029 0.000 0.260 113 M C 2.041 178.382 176.300 0.067 0.000 1.104 113 M CA 0.973 56.320 55.300 0.078 0.000 1.112 113 M CB -1.829 30.819 32.600 0.080 0.000 1.401 113 M HN 0.414 nan 8.290 nan 0.000 0.473 114 G N -0.265 108.568 108.800 0.055 0.000 2.744 114 G HA2 -0.087 3.890 3.960 0.029 0.000 0.211 114 G HA3 -0.087 3.890 3.960 0.029 0.000 0.211 114 G C -0.018 174.905 174.900 0.038 0.000 1.143 114 G CA 0.076 45.203 45.100 0.045 0.000 0.788 114 G HN 0.381 nan 8.290 nan 0.000 0.534 115 D N -0.196 120.229 120.400 0.041 0.000 2.392 115 D HA 0.221 4.878 4.640 0.029 0.000 0.228 115 D C 1.339 177.665 176.300 0.043 0.000 1.074 115 D CA -0.636 53.384 54.000 0.034 0.000 0.838 115 D CB 1.324 42.140 40.800 0.026 0.000 1.067 115 D HN 0.017 nan 8.370 nan 0.000 0.511 116 K N 2.441 122.863 120.400 0.037 0.000 2.015 116 K HA -0.183 4.155 4.320 0.029 0.000 0.216 116 K C 1.419 178.049 176.600 0.051 0.000 1.052 116 K CA 1.697 58.012 56.287 0.046 0.000 0.937 116 K CB -0.039 32.475 32.500 0.024 0.000 0.719 116 K HN 0.343 nan 8.250 nan 0.000 0.446 117 V N 0.527 120.453 119.914 0.020 0.000 2.407 117 V HA -0.217 3.921 4.120 0.029 0.000 0.248 117 V C 2.468 178.571 176.094 0.014 0.000 1.055 117 V CA 2.074 64.376 62.300 0.003 0.000 1.049 117 V CB -0.335 31.475 31.823 -0.021 0.000 0.662 117 V HN 0.492 nan 8.190 nan 0.000 0.455 118 S N -0.481 115.231 115.700 0.021 0.000 2.368 118 S HA -0.136 4.351 4.470 0.029 0.000 0.224 118 S C 2.151 176.769 174.600 0.029 0.000 1.029 118 S CA 1.492 59.704 58.200 0.019 0.000 0.988 118 S CB -0.268 62.944 63.200 0.021 0.000 0.838 118 S HN 0.606 nan 8.310 nan 0.000 0.462 119 A N 2.283 125.140 122.820 0.061 0.000 1.858 119 A HA -0.015 4.323 4.320 0.029 0.000 0.216 119 A C 2.070 179.681 177.584 0.045 0.000 1.190 119 A CA 1.553 53.643 52.037 0.088 0.000 0.617 119 A CB -0.820 18.301 19.000 0.201 0.000 0.827 119 A HN 0.544 nan 8.150 nan 0.000 0.443 120 I N 0.234 120.873 120.570 0.114 0.000 2.118 120 I HA -0.307 3.880 4.170 0.029 0.000 0.241 120 I C 2.980 179.084 176.117 -0.021 0.000 1.070 120 I CA 1.662 63.010 61.300 0.080 0.000 1.327 120 I CB -1.753 36.317 38.000 0.116 0.000 1.034 120 I HN 0.378 nan 8.210 nan 0.000 0.405 121 A N 0.799 123.614 122.820 -0.008 0.000 1.948 121 A HA -0.170 4.167 4.320 0.029 0.000 0.220 121 A C 2.545 180.103 177.584 -0.043 0.000 1.177 121 A CA 2.323 54.347 52.037 -0.022 0.000 0.636 121 A CB -0.780 18.212 19.000 -0.013 0.000 0.815 121 A HN 0.468 nan 8.150 nan 0.000 0.449 122 A N -1.271 121.517 122.820 -0.054 0.000 1.929 122 A HA -0.015 4.322 4.320 0.029 0.000 0.216 122 A C 2.094 179.608 177.584 -0.117 0.000 1.176 122 A CA 1.724 53.723 52.037 -0.063 0.000 0.628 122 A CB -0.399 18.577 19.000 -0.040 0.000 0.816 122 A HN 0.412 nan 8.150 nan 0.000 0.444 123 M N -0.165 119.304 119.600 -0.217 0.000 2.296 123 M HA -0.047 4.450 4.480 0.029 0.000 0.265 123 M C 1.781 177.969 176.300 -0.187 0.000 1.064 123 M CA 1.319 56.423 55.300 -0.327 0.000 1.109 123 M CB -1.028 31.116 32.600 -0.760 0.000 1.396 123 M HN 0.397 nan 8.290 nan 0.000 0.430 124 K N -0.009 120.324 120.400 -0.111 0.000 2.076 124 K HA -0.102 4.236 4.320 0.029 0.000 0.204 124 K C 2.092 178.664 176.600 -0.047 0.000 1.051 124 K CA 0.819 57.075 56.287 -0.052 0.000 0.949 124 K CB -0.008 32.481 32.500 -0.019 0.000 0.726 124 K HN 0.216 nan 8.250 nan 0.000 0.443 125 K N 0.929 121.299 120.400 -0.049 0.000 2.097 125 K HA -0.104 4.233 4.320 0.029 0.000 0.206 125 K C 1.972 178.544 176.600 -0.047 0.000 1.049 125 K CA 1.222 57.486 56.287 -0.038 0.000 0.933 125 K CB -0.032 32.449 32.500 -0.032 0.000 0.717 125 K HN 0.098 nan 8.250 nan 0.000 0.442 126 A N -0.046 122.733 122.820 -0.069 0.000 2.014 126 A HA 0.078 4.416 4.320 0.029 0.000 0.218 126 A C 1.527 179.057 177.584 -0.090 0.000 1.163 126 A CA 1.453 53.442 52.037 -0.079 0.000 0.652 126 A CB -0.396 18.543 19.000 -0.101 0.000 0.808 126 A HN 0.583 nan 8.150 nan 0.000 0.449 127 G N -2.349 106.399 108.800 -0.086 0.000 2.154 127 G HA2 -0.118 3.859 3.960 0.029 0.000 0.186 127 G HA3 -0.118 3.859 3.960 0.029 0.000 0.186 127 G C 0.050 174.895 174.900 -0.092 0.000 1.000 127 G CA -0.067 44.989 45.100 -0.074 0.000 0.664 127 G HN 0.762 nan 8.290 nan 0.000 0.513 128 V N 2.709 122.550 119.914 -0.120 0.000 2.583 128 V HA 0.437 4.575 4.120 0.029 0.000 0.287 128 V C -1.209 174.903 176.094 0.030 0.000 1.051 128 V CA -1.222 61.017 62.300 -0.101 0.000 1.010 128 V CB 1.279 32.984 31.823 -0.196 0.000 0.988 128 V HN 0.257 nan 8.190 nan 0.000 0.478 129 P HA 0.200 nan 4.420 nan 0.000 0.271 129 P C -0.639 176.855 177.300 0.322 0.000 1.233 129 P CA -0.034 63.188 63.100 0.205 0.000 0.764 129 P CB 0.523 32.342 31.700 0.198 0.000 0.825 130 C N 2.780 122.247 119.300 0.278 0.000 2.531 130 C HA 0.399 4.877 4.460 0.029 0.000 0.369 130 C C 0.568 175.807 174.990 0.415 0.000 1.258 130 C CA -0.664 58.564 59.018 0.350 0.000 1.876 130 C CB 1.831 29.713 27.740 0.236 0.000 2.256 130 C HN 0.350 nan 8.230 nan 0.000 0.510 131 V N 3.311 123.447 119.914 0.369 0.000 2.479 131 V HA 0.145 4.282 4.120 0.029 0.000 0.281 131 V C -1.943 174.262 176.094 0.185 0.000 1.031 131 V CA -0.456 62.003 62.300 0.266 0.000 1.038 131 V CB -0.119 31.774 31.823 0.118 0.000 0.981 131 V HN 0.764 nan 8.190 nan 0.000 0.478 132 P HA 0.413 nan 4.420 nan 0.000 0.268 132 P C 0.253 177.601 177.300 0.081 0.000 1.205 132 P CA 0.380 63.551 63.100 0.118 0.000 0.771 132 P CB 0.745 32.512 31.700 0.111 0.000 0.858 133 G N -0.349 108.495 108.800 0.074 0.000 2.663 133 G HA2 0.368 4.346 3.960 0.029 0.000 0.299 133 G HA3 0.368 4.346 3.960 0.029 0.000 0.299 133 G C 0.434 175.372 174.900 0.063 0.000 1.372 133 G CA -0.280 44.870 45.100 0.083 0.000 0.781 133 G HN 0.348 nan 8.290 nan 0.000 0.491 134 S N -0.680 115.071 115.700 0.084 0.000 2.603 134 S HA 0.054 4.541 4.470 0.029 0.000 0.229 134 S C 0.448 175.072 174.600 0.040 0.000 0.972 134 S CA 1.095 59.331 58.200 0.060 0.000 0.935 134 S CB -0.177 63.073 63.200 0.083 0.000 0.769 134 S HN 0.600 nan 8.310 nan 0.000 0.536 135 D N 1.300 121.717 120.400 0.028 0.000 2.686 135 D HA -0.016 4.641 4.640 0.029 0.000 0.235 135 D C 0.452 176.749 176.300 -0.005 0.000 1.160 135 D CA 1.695 55.696 54.000 0.002 0.000 0.645 135 D CB -1.641 39.164 40.800 0.009 0.000 1.039 135 D HN 1.030 nan 8.370 nan 0.000 0.423 136 G N -1.820 106.975 108.800 -0.009 0.000 2.317 136 G HA2 0.242 4.220 3.960 0.029 0.000 0.445 136 G HA3 0.242 4.220 3.960 0.029 0.000 0.445 136 G C -3.046 171.878 174.900 0.040 0.000 1.486 136 G CA -1.073 44.024 45.100 -0.004 0.000 0.991 136 G HN -0.005 nan 8.290 nan 0.000 0.660 137 P HA 0.293 nan 4.420 nan 0.000 0.266 137 P C 0.338 177.674 177.300 0.061 0.000 1.193 137 P CA -0.135 63.010 63.100 0.076 0.000 0.770 137 P CB 0.417 32.146 31.700 0.048 0.000 0.836 138 L N 1.880 123.141 121.223 0.063 0.000 2.380 138 L HA 0.338 4.696 4.340 0.029 0.000 0.273 138 L C 1.563 178.450 176.870 0.028 0.000 1.138 138 L CA -0.128 54.736 54.840 0.039 0.000 0.832 138 L CB 0.269 42.345 42.059 0.029 0.000 1.124 138 L HN 0.502 nan 8.230 nan 0.000 0.454 139 G N 0.929 109.742 108.800 0.022 0.000 2.546 139 G HA2 0.075 4.052 3.960 0.029 0.000 0.239 139 G HA3 0.075 4.052 3.960 0.029 0.000 0.239 139 G C 0.156 175.066 174.900 0.016 0.000 1.476 139 G CA -0.179 44.931 45.100 0.018 0.000 1.064 139 G HN 0.709 nan 8.290 nan 0.000 0.561 140 D N -0.946 119.463 120.400 0.014 0.000 2.469 140 D HA 0.051 4.709 4.640 0.029 0.000 0.213 140 D C -0.194 176.114 176.300 0.013 0.000 1.135 140 D CA -0.110 53.898 54.000 0.013 0.000 0.834 140 D CB 0.647 41.454 40.800 0.012 0.000 1.009 140 D HN 0.280 nan 8.370 nan 0.000 0.507 141 D N 1.667 122.075 120.400 0.014 0.000 2.416 141 D HA -0.016 4.641 4.640 0.029 0.000 0.240 141 D C 1.575 177.885 176.300 0.017 0.000 1.250 141 D CA -0.074 53.935 54.000 0.014 0.000 0.967 141 D CB 0.449 41.257 40.800 0.013 0.000 1.059 141 D HN -0.244 nan 8.370 nan 0.000 0.512 142 M N 2.099 121.710 119.600 0.018 0.000 2.202 142 M HA -0.138 4.359 4.480 0.029 0.000 0.262 142 M C 1.000 177.316 176.300 0.026 0.000 1.063 142 M CA 1.241 56.554 55.300 0.022 0.000 1.097 142 M CB -0.655 31.959 32.600 0.022 0.000 1.382 142 M HN 0.359 nan 8.290 nan 0.000 0.413 143 D N 0.123 120.536 120.400 0.022 0.000 2.117 143 D HA -0.172 4.485 4.640 0.029 0.000 0.197 143 D C 2.007 178.321 176.300 0.023 0.000 0.987 143 D CA 1.356 55.370 54.000 0.024 0.000 0.829 143 D CB -0.169 40.643 40.800 0.019 0.000 0.961 143 D HN 0.385 nan 8.370 nan 0.000 0.460 144 K N 0.369 120.780 120.400 0.019 0.000 2.026 144 K HA -0.117 4.220 4.320 0.029 0.000 0.208 144 K C 1.677 178.287 176.600 0.016 0.000 1.048 144 K CA 1.138 57.435 56.287 0.017 0.000 0.929 144 K CB 0.118 32.627 32.500 0.015 0.000 0.713 144 K HN -0.014 nan 8.250 nan 0.000 0.439 145 N N 0.876 119.588 118.700 0.019 0.000 2.188 145 N HA -0.121 4.637 4.740 0.029 0.000 0.184 145 N C 1.766 177.289 175.510 0.021 0.000 1.018 145 N CA 1.129 54.189 53.050 0.017 0.000 0.858 145 N CB -0.160 38.340 38.487 0.021 0.000 0.989 145 N HN 0.264 nan 8.380 nan 0.000 0.426 146 R N 0.774 121.298 120.500 0.040 0.000 2.096 146 R HA 0.034 4.391 4.340 0.029 0.000 0.235 146 R C 2.173 178.499 176.300 0.044 0.000 1.127 146 R CA 1.201 57.342 56.100 0.068 0.000 0.968 146 R CB -0.267 30.078 30.300 0.074 0.000 0.861 146 R HN 0.178 nan 8.270 nan 0.000 0.440 147 A N 1.087 123.923 122.820 0.027 0.000 1.969 147 A HA -0.110 4.228 4.320 0.029 0.000 0.218 147 A C 2.103 179.684 177.584 -0.004 0.000 1.169 147 A CA 1.079 53.126 52.037 0.017 0.000 0.635 147 A CB -0.360 18.649 19.000 0.016 0.000 0.810 147 A HN 0.169 nan 8.150 nan 0.000 0.445 148 I N -0.484 120.079 120.570 -0.013 0.000 2.233 148 I HA -0.228 3.960 4.170 0.029 0.000 0.243 148 I C 2.992 179.059 176.117 -0.084 0.000 1.093 148 I CA 0.943 62.225 61.300 -0.030 0.000 1.380 148 I CB -0.359 37.631 38.000 -0.016 0.000 1.067 148 I HN 0.352 nan 8.210 nan 0.000 0.413 149 A N 0.855 123.595 122.820 -0.133 0.000 1.877 149 A HA -0.279 4.059 4.320 0.029 0.000 0.216 149 A C 2.395 179.748 177.584 -0.386 0.000 1.186 149 A CA 1.995 53.820 52.037 -0.353 0.000 0.620 149 A CB -0.626 18.103 19.000 -0.452 0.000 0.822 149 A HN 0.336 nan 8.150 nan 0.000 0.443 150 K N -0.519 119.783 120.400 -0.163 0.000 2.044 150 K HA -0.236 4.102 4.320 0.029 0.000 0.210 150 K C 2.378 178.948 176.600 -0.050 0.000 1.049 150 K CA 1.770 58.033 56.287 -0.039 0.000 0.927 150 K CB -0.247 32.278 32.500 0.041 0.000 0.713 150 K HN 0.442 nan 8.250 nan 0.000 0.443 151 R N 0.736 121.208 120.500 -0.048 0.000 2.066 151 R HA -0.092 4.265 4.340 0.029 0.000 0.232 151 R C 2.343 178.624 176.300 -0.033 0.000 1.131 151 R CA 1.539 57.624 56.100 -0.025 0.000 0.955 151 R CB -0.292 30.000 30.300 -0.013 0.000 0.851 151 R HN 0.282 nan 8.270 nan 0.000 0.432 152 I N -0.029 120.498 120.570 -0.071 0.000 2.226 152 I HA -0.100 4.087 4.170 0.029 0.000 0.245 152 I C 0.801 176.881 176.117 -0.062 0.000 1.100 152 I CA 1.221 62.486 61.300 -0.059 0.000 1.374 152 I CB -0.294 37.651 38.000 -0.092 0.000 1.057 152 I HN 0.509 nan 8.210 nan 0.000 0.413 153 G N 0.265 108.989 108.800 -0.127 0.000 3.439 153 G HA2 -0.197 3.780 3.960 0.029 0.000 0.686 153 G HA3 -0.197 3.780 3.960 0.029 0.000 0.686 153 G C -0.609 174.250 174.900 -0.068 0.000 1.075 153 G CA -0.966 44.097 45.100 -0.061 0.000 0.926 153 G HN 0.050 nan 8.290 nan 0.000 0.485 154 Y N 2.586 122.904 120.300 0.031 0.000 2.578 154 Y HA 0.373 4.940 4.550 0.029 0.000 0.339 154 Y C -0.362 175.565 175.900 0.045 0.000 1.231 154 Y CA -0.173 57.949 58.100 0.037 0.000 1.461 154 Y CB 0.388 38.865 38.460 0.027 0.000 1.323 154 Y HN 0.545 nan 8.280 nan 0.000 0.590 155 P HA 0.290 nan 4.420 nan 0.000 0.277 155 P C -0.984 176.446 177.300 0.218 0.000 1.240 155 P CA -0.318 62.972 63.100 0.317 0.000 0.798 155 P CB 1.574 33.464 31.700 0.317 0.000 0.979 156 V N 0.249 120.257 119.914 0.157 0.000 3.166 156 V HA 0.713 4.850 4.120 0.029 0.000 0.317 156 V C -0.340 175.755 176.094 0.002 0.000 1.136 156 V CA -1.140 61.183 62.300 0.040 0.000 1.035 156 V CB 1.990 33.755 31.823 -0.096 0.000 1.110 156 V HN 0.578 nan 8.190 nan 0.000 0.450 157 I N 1.255 121.802 120.570 -0.039 0.000 2.569 157 I HA 0.522 4.709 4.170 0.029 0.000 0.290 157 I C -1.397 174.635 176.117 -0.142 0.000 1.088 157 I CA -0.881 60.342 61.300 -0.127 0.000 1.047 157 I CB 1.831 39.742 38.000 -0.150 0.000 1.237 157 I HN 0.573 nan 8.210 nan 0.000 0.421 158 I N 7.116 127.589 120.570 -0.161 0.000 2.365 158 I HA 0.395 4.583 4.170 0.029 0.000 0.291 158 I C -0.051 175.895 176.117 -0.285 0.000 1.004 158 I CA -0.333 60.848 61.300 -0.197 0.000 1.311 158 I CB 0.822 38.748 38.000 -0.124 0.000 1.401 158 I HN 0.517 nan 8.210 nan 0.000 0.491 159 K N 3.968 124.061 120.400 -0.512 0.000 2.328 159 K HA 0.792 5.130 4.320 0.029 0.000 0.246 159 K C -0.718 175.586 176.600 -0.493 0.000 0.955 159 K CA -0.835 55.097 56.287 -0.591 0.000 0.817 159 K CB 2.759 34.694 32.500 -0.943 0.000 1.208 159 K HN 0.684 nan 8.250 nan 0.000 0.432 160 A N 1.058 123.705 122.820 -0.289 0.000 2.301 160 A HA 0.264 4.601 4.320 0.029 0.000 0.298 160 A C 0.640 178.082 177.584 -0.237 0.000 1.185 160 A CA -0.421 51.470 52.037 -0.244 0.000 0.830 160 A CB 0.660 19.500 19.000 -0.267 0.000 1.112 160 A HN 0.748 nan 8.150 nan 0.000 0.508 161 S N 1.971 117.601 115.700 -0.116 0.000 2.423 161 S HA 0.015 4.502 4.470 0.029 0.000 0.231 161 S C 1.343 175.775 174.600 -0.280 0.000 1.014 161 S CA 0.887 59.057 58.200 -0.050 0.000 0.965 161 S CB -0.199 63.005 63.200 0.006 0.000 0.785 161 S HN 1.056 nan 8.310 nan 0.000 0.495 169 M N -0.417 119.180 119.600 -0.005 0.000 2.654 169 M HA 0.857 5.354 4.480 0.029 0.000 0.310 169 M C -0.218 176.034 176.300 -0.080 0.000 1.211 169 M CA -1.145 54.113 55.300 -0.070 0.000 0.947 169 M CB 2.181 34.733 32.600 -0.079 0.000 1.647 169 M HN 0.082 nan 8.290 nan 0.000 0.481 170 R N 0.595 121.025 120.500 -0.118 0.000 2.510 170 R HA 0.582 4.939 4.340 0.029 0.000 0.287 170 R C -2.053 174.145 176.300 -0.169 0.000 1.084 170 R CA -0.398 55.631 56.100 -0.118 0.000 0.934 170 R CB 1.978 32.230 30.300 -0.079 0.000 1.201 170 R HN 0.683 nan 8.270 nan 0.000 0.431 171 V N 4.924 124.705 119.914 -0.221 0.000 2.546 171 V HA 0.419 4.556 4.120 0.029 0.000 0.284 171 V C -0.367 175.647 176.094 -0.133 0.000 1.050 171 V CA -0.422 61.699 62.300 -0.299 0.000 0.981 171 V CB 1.631 33.170 31.823 -0.473 0.000 0.990 171 V HN 0.506 nan 8.190 nan 0.000 0.474 172 V N 6.183 126.066 119.914 -0.051 0.000 2.531 172 V HA 0.455 4.592 4.120 0.029 0.000 0.301 172 V C 0.544 176.724 176.094 0.144 0.000 1.034 172 V CA -0.643 61.688 62.300 0.051 0.000 0.865 172 V CB 1.606 33.505 31.823 0.127 0.000 0.995 172 V HN 0.827 nan 8.190 nan 0.000 0.424 173 R N 2.416 122.938 120.500 0.036 0.000 2.334 173 R HA 0.462 4.820 4.340 0.029 0.000 0.212 173 R C 0.709 176.821 176.300 -0.312 0.000 0.897 173 R CA 0.405 56.509 56.100 0.007 0.000 1.056 173 R CB 1.149 31.447 30.300 -0.005 0.000 1.046 173 R HN 0.814 nan 8.270 nan 0.000 0.513 174 G N -0.608 107.864 108.800 -0.547 0.000 2.698 174 G HA2 0.038 4.015 3.960 0.029 0.000 0.293 174 G HA3 0.038 4.015 3.960 0.029 0.000 0.293 174 G C -0.880 173.573 174.900 -0.744 0.000 1.437 174 G CA -0.542 44.005 45.100 -0.921 0.000 0.852 174 G HN -0.128 nan 8.290 nan 0.000 0.499 175 D N 0.424 120.441 120.400 -0.638 0.000 2.133 175 D HA -0.114 4.543 4.640 0.029 0.000 0.195 175 D C 2.625 178.886 176.300 -0.066 0.000 0.997 175 D CA 2.355 56.279 54.000 -0.127 0.000 0.840 175 D CB 0.089 40.876 40.800 -0.022 0.000 0.947 175 D HN 0.520 nan 8.370 nan 0.000 0.452 176 A N 0.617 123.373 122.820 -0.107 0.000 1.948 176 A HA -0.195 4.143 4.320 0.029 0.000 0.220 176 A C 1.695 179.254 177.584 -0.041 0.000 1.177 176 A CA 1.922 53.922 52.037 -0.061 0.000 0.636 176 A CB -0.478 18.480 19.000 -0.069 0.000 0.815 176 A HN 0.531 nan 8.150 nan 0.000 0.449 177 E N -0.517 119.652 120.200 -0.051 0.000 2.558 177 E HA 0.159 4.526 4.350 0.029 0.000 0.205 177 E C 1.191 177.793 176.600 0.004 0.000 1.006 177 E CA -0.263 56.122 56.400 -0.025 0.000 0.961 177 E CB -0.109 29.570 29.700 -0.035 0.000 1.044 177 E HN 0.376 nan 8.360 nan 0.000 0.465 178 L N 1.902 123.144 121.223 0.032 0.000 2.005 178 L HA -0.031 4.326 4.340 0.029 0.000 0.207 178 L C 2.376 179.271 176.870 0.040 0.000 1.072 178 L CA 2.306 57.190 54.840 0.074 0.000 0.744 178 L CB -0.812 41.329 42.059 0.137 0.000 0.895 178 L HN 0.179 nan 8.230 nan 0.000 0.433 179 A N -0.911 121.927 122.820 0.030 0.000 1.851 179 A HA -0.299 4.039 4.320 0.029 0.000 0.216 179 A C 2.167 179.756 177.584 0.010 0.000 1.195 179 A CA 2.098 54.146 52.037 0.019 0.000 0.622 179 A CB -0.822 18.187 19.000 0.015 0.000 0.831 179 A HN 0.662 nan 8.150 nan 0.000 0.444 180 Q N -0.355 119.448 119.800 0.005 0.000 2.181 180 Q HA -0.132 4.226 4.340 0.029 0.000 0.205 180 Q C 2.418 178.416 176.000 -0.003 0.000 0.980 180 Q CA 1.668 57.470 55.803 -0.001 0.000 0.862 180 Q CB -0.242 28.494 28.738 -0.005 0.000 0.905 180 Q HN 0.653 nan 8.270 nan 0.000 0.429 181 S N 0.626 116.324 115.700 -0.003 0.000 2.383 181 S HA -0.066 4.422 4.470 0.029 0.000 0.227 181 S C 1.909 176.501 174.600 -0.013 0.000 1.026 181 S CA 0.698 58.892 58.200 -0.010 0.000 0.981 181 S CB -0.076 63.119 63.200 -0.008 0.000 0.818 181 S HN 0.286 nan 8.310 nan 0.000 0.472 182 I N 1.889 122.456 120.570 -0.005 0.000 2.202 182 I HA -0.193 3.994 4.170 0.029 0.000 0.242 182 I C 2.703 178.816 176.117 -0.007 0.000 1.091 182 I CA 1.451 62.746 61.300 -0.009 0.000 1.368 182 I CB -0.481 37.520 38.000 0.000 0.000 1.058 182 I HN 0.380 nan 8.210 nan 0.000 0.410 183 S N 0.738 116.437 115.700 -0.001 0.000 2.382 183 S HA -0.194 4.293 4.470 0.029 0.000 0.228 183 S C 2.051 176.652 174.600 0.000 0.000 1.027 183 S CA 0.996 59.197 58.200 0.001 0.000 0.991 183 S CB -0.526 62.676 63.200 0.003 0.000 0.823 183 S HN 0.331 nan 8.310 nan 0.000 0.469 184 M N 1.441 121.039 119.600 -0.004 0.000 2.086 184 M HA -0.098 4.400 4.480 0.029 0.000 0.261 184 M C 2.426 178.725 176.300 -0.002 0.000 1.067 184 M CA 2.005 57.303 55.300 -0.004 0.000 1.116 184 M CB -0.998 31.596 32.600 -0.010 0.000 1.348 184 M HN 0.422 nan 8.290 nan 0.000 0.407 185 T N -0.774 113.774 114.554 -0.010 0.000 2.867 185 T HA -0.112 4.256 4.350 0.029 0.000 0.268 185 T C 1.767 176.468 174.700 0.002 0.000 1.057 185 T CA 1.003 63.095 62.100 -0.012 0.000 1.136 185 T CB -0.249 68.594 68.868 -0.041 0.000 0.874 185 T HN 0.188 nan 8.240 nan 0.000 0.466 186 R N 1.420 121.920 120.500 0.001 0.000 2.096 186 R HA 0.133 4.491 4.340 0.029 0.000 0.235 186 R C 2.417 178.732 176.300 0.024 0.000 1.127 186 R CA 1.446 57.553 56.100 0.010 0.000 0.968 186 R CB -0.803 29.502 30.300 0.008 0.000 0.861 186 R HN 0.419 nan 8.270 nan 0.000 0.440 187 A N 0.215 123.047 122.820 0.021 0.000 1.878 187 A HA -0.022 4.315 4.320 0.029 0.000 0.213 187 A C 1.818 179.422 177.584 0.035 0.000 1.192 187 A CA 0.949 53.000 52.037 0.025 0.000 0.619 187 A CB -0.309 18.700 19.000 0.015 0.000 0.837 187 A HN 0.203 nan 8.150 nan 0.000 0.446 188 E N 0.374 120.594 120.200 0.033 0.000 2.130 188 E HA -0.204 4.163 4.350 0.029 0.000 0.196 188 E C 2.258 178.910 176.600 0.087 0.000 0.998 188 E CA 1.310 57.736 56.400 0.043 0.000 0.806 188 E CB -0.500 29.221 29.700 0.035 0.000 0.738 188 E HN 0.577 nan 8.360 nan 0.000 0.459 189 A N 1.660 124.546 122.820 0.109 0.000 1.855 189 A HA -0.166 4.171 4.320 0.029 0.000 0.215 189 A C 2.100 179.793 177.584 0.183 0.000 1.191 189 A CA 1.196 53.353 52.037 0.201 0.000 0.613 189 A CB -0.295 18.773 19.000 0.114 0.000 0.829 189 A HN 0.008 nan 8.150 nan 0.000 0.442 190 K N -0.223 120.238 120.400 0.102 0.000 2.049 190 K HA -0.264 4.073 4.320 0.029 0.000 0.219 190 K C 2.220 178.860 176.600 0.068 0.000 1.056 190 K CA 1.867 58.200 56.287 0.077 0.000 0.946 190 K CB -0.700 31.828 32.500 0.047 0.000 0.723 190 K HN 0.467 nan 8.250 nan 0.000 0.453 191 A N 0.267 123.114 122.820 0.046 0.000 1.969 191 A HA -0.019 4.318 4.320 0.029 0.000 0.218 191 A C 2.168 179.749 177.584 -0.004 0.000 1.169 191 A CA 1.957 54.004 52.037 0.016 0.000 0.635 191 A CB -0.273 18.727 19.000 0.001 0.000 0.810 191 A HN 0.392 nan 8.150 nan 0.000 0.445 192 A N -2.603 120.227 122.820 0.016 0.000 2.115 192 A HA 0.461 4.798 4.320 0.029 0.000 0.211 192 A C 1.321 178.727 177.584 -0.297 0.000 1.169 192 A CA 0.586 52.543 52.037 -0.133 0.000 0.787 192 A CB -0.125 18.764 19.000 -0.186 0.000 0.858 192 A HN 0.424 nan 8.150 nan 0.000 0.474 193 F N -1.589 118.367 119.950 0.011 0.000 2.767 193 F HA 0.250 4.794 4.527 0.029 0.000 0.323 193 F C 1.252 177.061 175.800 0.015 0.000 1.091 193 F CA 0.539 58.548 58.000 0.015 0.000 1.192 193 F CB 0.613 39.625 39.000 0.021 0.000 1.056 193 F HN 0.074 nan 8.300 nan 0.000 0.571 194 S N 0.606 116.413 115.700 0.178 0.000 3.171 194 S HA -0.210 4.277 4.470 0.029 0.000 0.279 194 S C -0.171 174.496 174.600 0.112 0.000 1.294 194 S CA 0.612 58.879 58.200 0.112 0.000 1.077 194 S CB -1.581 61.671 63.200 0.087 0.000 1.298 194 S HN 0.510 nan 8.310 nan 0.000 0.666 195 N N 1.119 119.907 118.700 0.147 0.000 2.249 195 N HA 0.340 5.098 4.740 0.029 0.000 0.296 195 N C -0.763 174.794 175.510 0.078 0.000 1.051 195 N CA -0.195 52.909 53.050 0.089 0.000 0.815 195 N CB 1.683 40.206 38.487 0.059 0.000 1.487 195 N HN 0.182 nan 8.380 nan 0.000 0.475 196 D N 2.300 122.730 120.400 0.050 0.000 2.358 196 D HA 0.064 4.722 4.640 0.029 0.000 0.224 196 D C 0.134 176.448 176.300 0.022 0.000 1.123 196 D CA -0.015 54.008 54.000 0.038 0.000 0.833 196 D CB 0.108 40.927 40.800 0.033 0.000 0.946 196 D HN 0.276 nan 8.370 nan 0.000 0.505 197 M N 1.629 121.238 119.600 0.016 0.000 2.162 197 M HA 0.291 4.789 4.480 0.029 0.000 0.356 197 M C -0.061 176.247 176.300 0.013 0.000 1.303 197 M CA -0.674 54.637 55.300 0.019 0.000 1.116 197 M CB 1.435 34.047 32.600 0.021 0.000 1.632 197 M HN 0.039 nan 8.290 nan 0.000 0.469 198 V N 3.221 123.151 119.914 0.026 0.000 3.007 198 V HA 0.834 4.971 4.120 0.029 0.000 0.311 198 V C -1.451 174.687 176.094 0.073 0.000 1.120 198 V CA -0.880 61.415 62.300 -0.010 0.000 0.980 198 V CB 2.107 33.890 31.823 -0.067 0.000 1.033 198 V HN 0.856 nan 8.190 nan 0.000 0.429 199 Y N 1.301 121.581 120.300 -0.034 0.000 2.638 199 Y HA 0.863 5.430 4.550 0.029 0.000 0.339 199 Y C -0.614 175.272 175.900 -0.023 0.000 1.084 199 Y CA -1.574 56.511 58.100 -0.025 0.000 1.068 199 Y CB 2.204 40.649 38.460 -0.025 0.000 1.294 199 Y HN 0.888 nan 8.280 nan 0.000 0.480 200 M N 1.775 121.450 119.600 0.126 0.000 2.436 200 M HA 0.504 5.001 4.480 0.029 0.000 0.331 200 M C -1.548 174.820 176.300 0.114 0.000 1.135 200 M CA -0.202 55.111 55.300 0.021 0.000 0.987 200 M CB 1.991 34.593 32.600 0.002 0.000 1.687 200 M HN 0.971 nan 8.290 nan 0.000 0.445 201 E N 2.093 122.320 120.200 0.044 0.000 2.383 201 E HA 0.293 4.660 4.350 0.029 0.000 0.275 201 E C -1.664 174.955 176.600 0.032 0.000 0.918 201 E CA -0.929 55.519 56.400 0.080 0.000 0.764 201 E CB 2.744 32.525 29.700 0.135 0.000 1.252 201 E HN 0.548 nan 8.360 nan 0.000 0.449 202 K N 1.755 122.161 120.400 0.010 0.000 2.412 202 K HA 0.018 4.355 4.320 0.029 0.000 0.281 202 K C -1.045 175.567 176.600 0.019 0.000 1.027 202 K CA -0.057 56.215 56.287 -0.024 0.000 0.989 202 K CB 0.358 32.798 32.500 -0.101 0.000 0.935 202 K HN 0.390 nan 8.250 nan 0.000 0.475 203 Y N 6.188 126.438 120.300 -0.084 0.000 2.504 203 Y HA 0.191 4.759 4.550 0.030 0.000 0.351 203 Y C -0.790 175.063 175.900 -0.077 0.000 0.988 203 Y CA -0.782 57.283 58.100 -0.060 0.000 1.239 203 Y CB 0.300 38.750 38.460 -0.018 0.000 1.128 203 Y HN 0.445 nan 8.280 nan 0.000 0.525 204 L N 7.179 128.161 121.223 -0.402 0.000 2.358 204 L HA 0.232 4.589 4.340 0.029 0.000 0.274 204 L C 1.325 177.849 176.870 -0.577 0.000 1.136 204 L CA 0.002 54.589 54.840 -0.421 0.000 0.970 204 L CB 0.520 42.394 42.059 -0.309 0.000 1.314 204 L HN 0.702 nan 8.230 nan 0.000 0.427 205 E N 2.451 122.191 120.200 -0.765 0.000 2.072 205 E HA -0.107 4.261 4.350 0.029 0.000 0.191 205 E C 0.234 176.765 176.600 -0.115 0.000 0.985 205 E CA 1.023 57.029 56.400 -0.656 0.000 0.801 205 E CB 0.322 29.736 29.700 -0.476 0.000 0.750 205 E HN 0.665 nan 8.360 nan 0.000 0.452 206 N N 1.084 119.744 118.700 -0.067 0.000 2.723 206 N HA 0.197 4.955 4.740 0.029 0.000 0.290 206 N C -2.702 172.809 175.510 0.001 0.000 1.882 206 N CA -1.002 52.081 53.050 0.056 0.000 0.851 206 N CB 1.716 40.237 38.487 0.057 0.000 1.234 206 N HN 0.129 nan 8.380 nan 0.000 0.491 207 P HA 0.324 nan 4.420 nan 0.000 0.281 207 P C -0.684 176.638 177.300 0.037 0.000 1.264 207 P CA -0.408 62.689 63.100 -0.005 0.000 0.824 207 P CB 1.765 33.465 31.700 0.000 0.000 1.092 208 R N -0.526 120.046 120.500 0.120 0.000 2.787 208 R HA 0.406 4.764 4.340 0.029 0.000 0.271 208 R C -0.059 176.382 176.300 0.235 0.000 0.993 208 R CA -0.720 55.489 56.100 0.181 0.000 0.993 208 R CB 0.897 31.345 30.300 0.245 0.000 1.155 208 R HN 0.623 nan 8.270 nan 0.000 0.486 209 H N 1.105 120.257 119.070 0.138 0.000 2.690 209 H HA 0.359 4.931 4.556 0.028 0.000 0.289 209 H C -1.205 174.230 175.328 0.179 0.000 1.089 209 H CA -0.490 55.650 56.048 0.152 0.000 1.299 209 H CB 0.623 30.444 29.762 0.098 0.000 1.405 209 H HN 0.101 nan 8.280 nan 0.000 0.463 210 V N 6.581 126.621 119.914 0.211 0.000 2.487 210 V HA 0.244 4.381 4.120 0.029 0.000 0.298 210 V C -0.451 175.812 176.094 0.282 0.000 1.028 210 V CA -0.737 61.723 62.300 0.266 0.000 0.860 210 V CB 1.484 33.458 31.823 0.251 0.000 0.991 210 V HN 0.913 nan 8.190 nan 0.000 0.427 211 E N 4.585 124.953 120.200 0.279 0.000 2.312 211 E HA 0.763 5.131 4.350 0.029 0.000 0.267 211 E C -1.769 174.975 176.600 0.240 0.000 0.894 211 E CA -0.998 55.582 56.400 0.300 0.000 0.773 211 E CB 2.686 32.549 29.700 0.272 0.000 1.241 211 E HN 0.371 nan 8.360 nan 0.000 0.432 212 I N 1.885 122.632 120.570 0.295 0.000 2.404 212 I HA 0.163 4.350 4.170 0.029 0.000 0.293 212 I C -0.288 175.975 176.117 0.245 0.000 0.992 212 I CA -0.575 60.852 61.300 0.213 0.000 1.149 212 I CB 1.726 39.809 38.000 0.139 0.000 1.315 212 I HN 0.562 nan 8.210 nan 0.000 0.446 213 Q N 5.852 125.764 119.800 0.187 0.000 2.243 213 Q HA 0.725 5.083 4.340 0.029 0.000 0.252 213 Q C -1.039 175.073 176.000 0.187 0.000 0.909 213 Q CA -0.424 55.478 55.803 0.165 0.000 0.922 213 Q CB 1.423 30.238 28.738 0.128 0.000 1.215 213 Q HN 0.560 nan 8.270 nan 0.000 0.427 214 V N 1.436 121.452 119.914 0.169 0.000 3.130 214 V HA 0.749 4.886 4.120 0.029 0.000 0.310 214 V C -1.231 174.949 176.094 0.144 0.000 1.158 214 V CA -1.036 61.369 62.300 0.176 0.000 1.029 214 V CB 2.061 34.028 31.823 0.239 0.000 1.057 214 V HN 0.771 nan 8.190 nan 0.000 0.436 215 L N 1.994 123.303 121.223 0.142 0.000 2.436 215 L HA 0.950 5.307 4.340 0.029 0.000 0.268 215 L C -0.289 176.673 176.870 0.153 0.000 0.974 215 L CA -0.594 54.329 54.840 0.138 0.000 0.826 215 L CB 2.071 44.181 42.059 0.084 0.000 1.291 215 L HN 1.145 nan 8.230 nan 0.000 0.406 216 A N 1.037 123.967 122.820 0.184 0.000 2.486 216 A HA 0.579 4.916 4.320 0.029 0.000 0.300 216 A C -0.586 177.056 177.584 0.097 0.000 1.048 216 A CA -0.564 51.571 52.037 0.164 0.000 0.696 216 A CB 1.398 20.561 19.000 0.271 0.000 1.278 216 A HN 0.788 nan 8.150 nan 0.000 0.405 217 D N 0.612 121.048 120.400 0.061 0.000 2.349 217 D HA 0.296 4.954 4.640 0.029 0.000 0.214 217 D C 1.134 177.440 176.300 0.010 0.000 1.063 217 D CA 0.801 54.817 54.000 0.027 0.000 0.847 217 D CB 0.071 40.885 40.800 0.022 0.000 0.933 217 D HN 1.674 nan 8.370 nan 0.000 0.513 218 G N 0.525 109.337 108.800 0.020 0.000 2.155 218 G HA2 -0.366 3.611 3.960 0.029 0.000 0.257 218 G HA3 -0.366 3.611 3.960 0.029 0.000 0.257 218 G C 0.683 175.588 174.900 0.008 0.000 0.983 218 G CA 0.565 45.668 45.100 0.005 0.000 0.676 218 G HN 0.491 nan 8.290 nan 0.000 0.528 219 Q N -1.393 118.416 119.800 0.016 0.000 2.149 219 Q HA 0.449 4.807 4.340 0.029 0.000 0.221 219 Q C 1.727 177.737 176.000 0.016 0.000 0.807 219 Q CA 0.496 56.306 55.803 0.011 0.000 1.000 219 Q CB 1.264 30.006 28.738 0.007 0.000 1.157 219 Q HN 1.334 nan 8.270 nan 0.000 0.487 220 G N 1.054 109.869 108.800 0.026 0.000 2.284 220 G HA2 -0.173 3.805 3.960 0.029 0.000 0.201 220 G HA3 -0.173 3.805 3.960 0.029 0.000 0.201 220 G C -0.074 174.844 174.900 0.030 0.000 0.998 220 G CA -0.638 44.478 45.100 0.026 0.000 0.651 220 G HN 0.205 nan 8.290 nan 0.000 0.489 221 N N 1.405 120.125 118.700 0.033 0.000 2.455 221 N HA 0.656 5.413 4.740 0.029 0.000 0.280 221 N C -0.150 175.393 175.510 0.056 0.000 1.055 221 N CA 0.802 53.873 53.050 0.035 0.000 0.961 221 N CB 1.758 40.261 38.487 0.026 0.000 1.121 221 N HN 0.998 nan 8.380 nan 0.000 0.476 222 A N 2.187 125.043 122.820 0.059 0.000 2.465 222 A HA 0.637 4.975 4.320 0.029 0.000 0.292 222 A C -0.511 177.121 177.584 0.081 0.000 1.041 222 A CA -0.760 51.329 52.037 0.087 0.000 0.718 222 A CB 0.869 19.929 19.000 0.100 0.000 1.266 222 A HN 0.675 nan 8.150 nan 0.000 0.403 223 I N -0.837 119.783 120.570 0.084 0.000 3.145 223 I HA 0.940 5.128 4.170 0.029 0.000 0.313 223 I C -0.999 175.189 176.117 0.119 0.000 1.122 223 I CA -1.363 59.968 61.300 0.050 0.000 0.987 223 I CB 2.222 40.186 38.000 -0.059 0.000 1.236 223 I HN 0.746 nan 8.210 nan 0.000 0.453 224 Y N 1.469 121.759 120.300 -0.015 0.000 2.499 224 Y HA 0.804 5.368 4.550 0.023 0.000 0.347 224 Y C -1.484 174.410 175.900 -0.011 0.000 0.987 224 Y CA -1.782 56.312 58.100 -0.010 0.000 1.044 224 Y CB 1.340 39.769 38.460 -0.053 0.000 1.245 224 Y HN 0.406 nan 8.280 nan 0.000 0.461 225 L N 4.235 125.496 121.223 0.063 0.000 2.506 225 L HA 0.734 5.092 4.340 0.029 0.000 0.247 225 L C 0.577 177.490 176.870 0.070 0.000 1.141 225 L CA 0.200 55.037 54.840 -0.004 0.000 0.973 225 L CB -0.008 42.062 42.059 0.018 0.000 1.319 225 L HN 1.131 nan 8.230 nan 0.000 0.455 226 A N 0.933 123.822 122.820 0.115 0.000 6.204 226 A HA -0.068 4.270 4.320 0.029 0.000 0.272 226 A C 0.422 178.066 177.584 0.099 0.000 2.040 226 A CA 1.199 53.306 52.037 0.116 0.000 0.717 226 A CB -0.589 18.442 19.000 0.051 0.000 1.126 226 A HN 0.686 nan 8.150 nan 0.000 0.378 227 E N 0.317 120.549 120.200 0.053 0.000 2.393 227 E HA 0.826 5.193 4.350 0.029 0.000 0.265 227 E C -0.545 176.084 176.600 0.049 0.000 0.941 227 E CA -0.880 55.550 56.400 0.050 0.000 0.801 227 E CB 1.248 30.953 29.700 0.009 0.000 1.313 227 E HN 0.790 nan 8.360 nan 0.000 0.435 228 R N 0.150 120.700 120.500 0.084 0.000 2.686 228 R HA 0.350 4.707 4.340 0.029 0.000 0.283 228 R C -1.156 175.222 176.300 0.131 0.000 0.978 228 R CA -0.811 55.338 56.100 0.083 0.000 0.897 228 R CB 1.685 32.041 30.300 0.092 0.000 1.192 228 R HN 0.545 nan 8.270 nan 0.000 0.457 229 D N 2.081 122.548 120.400 0.111 0.000 2.349 229 D HA 0.216 4.874 4.640 0.029 0.000 0.232 229 D C -0.668 175.712 176.300 0.134 0.000 1.071 229 D CA -0.356 53.734 54.000 0.150 0.000 0.832 229 D CB 1.206 42.077 40.800 0.117 0.000 1.086 229 D HN 0.560 nan 8.370 nan 0.000 0.504 230 C N 3.346 122.729 119.300 0.138 0.000 2.975 230 C HA 0.255 4.733 4.460 0.029 0.000 0.234 230 C C 1.694 176.648 174.990 -0.060 0.000 1.666 230 C CA -0.564 58.427 59.018 -0.045 0.000 1.534 230 C CB -1.064 26.509 27.740 -0.278 0.000 2.642 230 C HN 0.517 nan 8.230 nan 0.000 0.516 231 S N 0.690 116.440 115.700 0.083 0.000 2.446 231 S HA 0.084 4.571 4.470 0.029 0.000 0.225 231 S C 1.108 175.748 174.600 0.066 0.000 1.016 231 S CA 0.716 58.977 58.200 0.101 0.000 0.943 231 S CB -0.090 63.192 63.200 0.136 0.000 0.786 231 S HN 0.610 nan 8.310 nan 0.000 0.508 232 M N 3.226 122.866 119.600 0.066 0.000 2.628 232 M HA 0.237 4.734 4.480 0.029 0.000 0.326 232 M C -0.285 176.007 176.300 -0.013 0.000 1.613 232 M CA 0.872 56.202 55.300 0.050 0.000 1.387 232 M CB -0.990 31.625 32.600 0.024 0.000 1.761 232 M HN 0.297 nan 8.290 nan 0.000 0.459 233 Q N 1.590 121.380 119.800 -0.016 0.000 2.423 233 Q HA 0.648 5.005 4.340 0.029 0.000 0.278 233 Q C -0.614 175.328 176.000 -0.096 0.000 1.097 233 Q CA -0.887 54.881 55.803 -0.059 0.000 0.809 233 Q CB 3.403 32.117 28.738 -0.040 0.000 1.391 233 Q HN 0.514 nan 8.270 nan 0.000 0.428 234 R N 1.183 121.592 120.500 -0.151 0.000 2.502 234 R HA 0.356 4.713 4.340 0.029 0.000 0.300 234 R C -0.847 175.313 176.300 -0.233 0.000 0.984 234 R CA -0.339 55.617 56.100 -0.240 0.000 0.882 234 R CB 0.722 30.793 30.300 -0.382 0.000 1.180 234 R HN 0.720 nan 8.270 nan 0.000 0.444 235 R N 4.024 124.383 120.500 -0.235 0.000 3.405 235 R HA -0.217 4.141 4.340 0.029 0.000 0.258 235 R C -0.505 175.722 176.300 -0.121 0.000 1.030 235 R CA 1.047 57.024 56.100 -0.205 0.000 0.691 235 R CB -1.696 28.563 30.300 -0.068 0.000 1.093 235 R HN 0.926 nan 8.270 nan 0.000 0.448 236 H N -3.959 115.102 119.070 -0.014 0.000 3.395 236 H HA -0.181 4.392 4.556 0.029 0.000 0.222 236 H C 0.119 175.425 175.328 -0.036 0.000 1.099 236 H CA 1.723 57.765 56.048 -0.009 0.000 1.182 236 H CB -0.841 28.930 29.762 0.015 0.000 1.188 236 H HN 0.468 nan 8.280 nan 0.000 0.317 237 Q N 1.497 121.306 119.800 0.016 0.000 2.271 237 Q HA 0.376 4.733 4.340 0.029 0.000 0.258 237 Q C -0.189 175.771 176.000 -0.066 0.000 0.936 237 Q CA -0.436 55.352 55.803 -0.024 0.000 0.909 237 Q CB 0.940 29.656 28.738 -0.036 0.000 1.253 237 Q HN 0.171 nan 8.270 nan 0.000 0.440 238 K N 1.905 122.257 120.400 -0.081 0.000 2.412 238 K HA 0.085 4.422 4.320 0.029 0.000 0.281 238 K C 0.025 176.574 176.600 -0.084 0.000 1.027 238 K CA -0.093 56.133 56.287 -0.102 0.000 0.989 238 K CB 0.847 33.266 32.500 -0.135 0.000 0.935 238 K HN 0.426 nan 8.250 nan 0.000 0.475 239 V N 2.362 122.229 119.914 -0.078 0.000 2.911 239 V HA 0.033 4.170 4.120 0.029 0.000 0.237 239 V C 0.175 176.235 176.094 -0.057 0.000 1.156 239 V CA 0.235 62.493 62.300 -0.069 0.000 1.180 239 V CB 0.992 32.766 31.823 -0.083 0.000 0.932 239 V HN 0.445 nan 8.190 nan 0.000 0.483 240 V N 0.861 120.743 119.914 -0.054 0.000 2.735 240 V HA 0.620 4.757 4.120 0.029 0.000 0.310 240 V C -1.089 175.012 176.094 0.012 0.000 1.061 240 V CA -0.543 61.738 62.300 -0.031 0.000 0.913 240 V CB 2.073 33.844 31.823 -0.088 0.000 1.005 240 V HN 0.453 nan 8.190 nan 0.000 0.428 241 E N 2.269 122.491 120.200 0.037 0.000 2.369 241 E HA 0.771 5.139 4.350 0.029 0.000 0.270 241 E C -1.115 175.538 176.600 0.088 0.000 0.909 241 E CA -0.830 55.599 56.400 0.047 0.000 0.775 241 E CB 2.651 32.355 29.700 0.007 0.000 1.270 241 E HN 0.882 nan 8.360 nan 0.000 0.445 242 E N -0.147 120.102 120.200 0.082 0.000 2.430 242 E HA 0.846 5.213 4.350 0.029 0.000 0.279 242 E C -1.654 174.915 176.600 -0.052 0.000 1.003 242 E CA -1.461 54.969 56.400 0.050 0.000 0.801 242 E CB 1.711 31.512 29.700 0.169 0.000 1.313 242 E HN 0.452 nan 8.360 nan 0.000 0.459 243 A N 1.570 124.245 122.820 -0.241 0.000 2.517 243 A HA 0.678 5.016 4.320 0.029 0.000 0.297 243 A C -2.841 174.365 177.584 -0.631 0.000 1.050 243 A CA -1.401 50.472 52.037 -0.273 0.000 0.694 243 A CB 1.716 20.652 19.000 -0.108 0.000 1.277 243 A HN 0.500 nan 8.150 nan 0.000 0.400 244 P HA 0.455 nan 4.420 nan 0.000 0.279 244 P C -0.087 177.185 177.300 -0.046 0.000 1.282 244 P CA -0.208 62.816 63.100 -0.127 0.000 0.788 244 P CB 0.955 32.640 31.700 -0.025 0.000 1.139 245 A N 1.109 123.927 122.820 -0.004 0.000 2.404 245 A HA 0.412 4.750 4.320 0.029 0.000 0.273 245 A C -2.106 175.490 177.584 0.020 0.000 1.144 245 A CA -1.368 50.679 52.037 0.017 0.000 0.806 245 A CB -1.425 17.563 19.000 -0.019 0.000 1.080 245 A HN 0.355 nan 8.150 nan 0.000 0.509 246 P HA 0.175 nan 4.420 nan 0.000 0.264 246 P C 1.266 178.556 177.300 -0.017 0.000 1.179 246 P CA 1.998 65.095 63.100 -0.005 0.000 0.763 246 P CB 0.642 32.304 31.700 -0.063 0.000 0.806 247 G N 2.663 111.449 108.800 -0.023 0.000 2.320 247 G HA2 -0.242 3.735 3.960 0.029 0.000 0.242 247 G HA3 -0.242 3.735 3.960 0.029 0.000 0.242 247 G C 0.286 175.187 174.900 0.002 0.000 1.033 247 G CA -0.339 44.762 45.100 0.003 0.000 0.620 247 G HN 0.501 nan 8.290 nan 0.000 0.517 248 I N 3.477 124.019 120.570 -0.047 0.000 2.662 248 I HA 0.220 4.408 4.170 0.029 0.000 0.285 248 I C 1.603 177.714 176.117 -0.010 0.000 1.161 248 I CA 0.910 62.168 61.300 -0.071 0.000 1.415 248 I CB -0.227 37.711 38.000 -0.103 0.000 1.385 248 I HN 0.481 nan 8.210 nan 0.000 0.552 249 T N 4.730 119.292 114.554 0.012 0.000 2.874 249 T HA 0.323 4.690 4.350 0.029 0.000 0.281 249 T C -1.769 172.947 174.700 0.027 0.000 0.994 249 T CA -1.647 60.465 62.100 0.021 0.000 1.015 249 T CB 1.414 70.297 68.868 0.026 0.000 1.028 249 T HN 0.304 nan 8.240 nan 0.000 0.523 250 P HA -0.038 nan 4.420 nan 0.000 0.218 250 P C 1.125 178.449 177.300 0.041 0.000 1.148 250 P CA 0.896 64.018 63.100 0.035 0.000 0.822 250 P CB 0.084 31.804 31.700 0.033 0.000 0.784 251 E N -0.831 119.392 120.200 0.038 0.000 2.047 251 E HA -0.127 4.241 4.350 0.029 0.000 0.191 251 E C 1.847 178.488 176.600 0.068 0.000 0.987 251 E CA 0.768 57.194 56.400 0.044 0.000 0.799 251 E CB -1.294 28.424 29.700 0.029 0.000 0.752 251 E HN 0.101 nan 8.360 nan 0.000 0.449 252 L N 0.810 122.077 121.223 0.073 0.000 2.046 252 L HA -0.110 4.248 4.340 0.029 0.000 0.208 252 L C 2.390 179.314 176.870 0.090 0.000 1.077 252 L CA 1.676 56.597 54.840 0.136 0.000 0.747 252 L CB -0.309 41.843 42.059 0.155 0.000 0.896 252 L HN 0.001 nan 8.230 nan 0.000 0.432 253 R N -0.677 119.839 120.500 0.026 0.000 2.083 253 R HA -0.236 4.121 4.340 0.029 0.000 0.237 253 R C 2.534 178.768 176.300 -0.111 0.000 1.137 253 R CA 1.946 58.022 56.100 -0.040 0.000 0.951 253 R CB -0.315 30.000 30.300 0.026 0.000 0.851 253 R HN 0.294 nan 8.270 nan 0.000 0.434 254 R N -0.744 119.742 120.500 -0.023 0.000 2.081 254 R HA -0.216 4.141 4.340 0.029 0.000 0.235 254 R C 2.235 178.418 176.300 -0.195 0.000 1.131 254 R CA 1.886 57.958 56.100 -0.048 0.000 0.960 254 R CB -0.546 29.781 30.300 0.045 0.000 0.856 254 R HN 0.393 nan 8.270 nan 0.000 0.436 255 Y N 0.681 120.862 120.300 -0.198 0.000 2.070 255 Y HA -0.266 4.299 4.550 0.025 0.000 0.280 255 Y C 2.058 177.740 175.900 -0.364 0.000 1.148 255 Y CA 1.993 59.964 58.100 -0.216 0.000 1.125 255 Y CB -0.391 37.996 38.460 -0.121 0.000 0.975 255 Y HN 0.120 nan 8.280 nan 0.000 0.492 256 I N 0.940 121.164 120.570 -0.578 0.000 2.315 256 I HA -0.096 4.092 4.170 0.029 0.000 0.248 256 I C 2.475 178.057 176.117 -0.891 0.000 1.117 256 I CA 1.784 62.528 61.300 -0.926 0.000 1.404 256 I CB -1.093 36.099 38.000 -1.347 0.000 1.071 256 I HN 0.391 nan 8.210 nan 0.000 0.419 257 G N -0.209 108.022 108.800 -0.950 0.000 2.491 257 G HA2 -0.280 3.697 3.960 0.029 0.000 0.218 257 G HA3 -0.280 3.697 3.960 0.029 0.000 0.218 257 G C 1.547 175.674 174.900 -1.289 0.000 1.180 257 G CA 1.011 45.183 45.100 -1.546 0.000 0.774 257 G HN 0.515 nan 8.290 nan 0.000 0.562 258 E N 0.006 119.638 120.200 -0.946 0.000 2.150 258 E HA -0.064 4.303 4.350 0.029 0.000 0.193 258 E C 2.808 179.141 176.600 -0.446 0.000 0.985 258 E CA 0.323 56.433 56.400 -0.483 0.000 0.814 258 E CB -0.034 29.483 29.700 -0.304 0.000 0.752 258 E HN 0.209 nan 8.360 nan 0.000 0.466 259 R N 0.367 120.507 120.500 -0.601 0.000 2.081 259 R HA -0.098 4.260 4.340 0.029 0.000 0.235 259 R C 2.415 178.416 176.300 -0.498 0.000 1.131 259 R CA 1.022 56.802 56.100 -0.533 0.000 0.960 259 R CB -0.978 28.926 30.300 -0.660 0.000 0.856 259 R HN 0.300 nan 8.270 nan 0.000 0.436 260 C N 0.348 119.282 119.300 -0.609 0.000 2.429 260 C HA -0.028 4.449 4.460 0.029 0.000 0.277 260 C C 2.962 177.671 174.990 -0.469 0.000 1.262 260 C CA 0.692 59.215 59.018 -0.825 0.000 1.733 260 C CB -1.083 26.162 27.740 -0.824 0.000 2.010 260 C HN 0.560 nan 8.230 nan 0.000 0.483 261 A N 0.496 123.166 122.820 -0.249 0.000 1.902 261 A HA -0.253 4.085 4.320 0.029 0.000 0.217 261 A C 2.216 179.763 177.584 -0.061 0.000 1.181 261 A CA 2.130 54.135 52.037 -0.052 0.000 0.623 261 A CB -0.623 18.403 19.000 0.044 0.000 0.818 261 A HN 0.692 nan 8.150 nan 0.000 0.443 262 K N -0.315 120.010 120.400 -0.125 0.000 2.057 262 K HA -0.106 4.231 4.320 0.029 0.000 0.207 262 K C 2.127 178.680 176.600 -0.077 0.000 1.049 262 K CA 1.252 57.482 56.287 -0.094 0.000 0.931 262 K CB -0.345 32.079 32.500 -0.127 0.000 0.714 262 K HN 0.367 nan 8.250 nan 0.000 0.440 263 A N 0.831 123.568 122.820 -0.138 0.000 1.940 263 A HA -0.189 4.148 4.320 0.029 0.000 0.219 263 A C 2.421 180.041 177.584 0.059 0.000 1.176 263 A CA 1.721 53.707 52.037 -0.085 0.000 0.631 263 A CB -1.030 17.840 19.000 -0.217 0.000 0.814 263 A HN 0.573 nan 8.150 nan 0.000 0.446 264 C N -1.325 118.038 119.300 0.105 0.000 2.432 264 C HA -0.075 4.402 4.460 0.029 0.000 0.277 264 C C 2.753 177.835 174.990 0.154 0.000 1.249 264 C CA 1.110 60.248 59.018 0.201 0.000 1.725 264 C CB -1.274 26.594 27.740 0.212 0.000 2.028 264 C HN 0.473 nan 8.230 nan 0.000 0.477 265 V N 1.225 121.190 119.914 0.086 0.000 2.295 265 V HA -0.212 3.925 4.120 0.029 0.000 0.246 265 V C 2.105 178.228 176.094 0.049 0.000 1.049 265 V CA 2.307 64.643 62.300 0.061 0.000 1.024 265 V CB -0.765 31.076 31.823 0.030 0.000 0.648 265 V HN 0.465 nan 8.190 nan 0.000 0.447 266 D N 0.487 120.907 120.400 0.033 0.000 2.123 266 D HA -0.135 4.523 4.640 0.029 0.000 0.196 266 D C 1.813 178.137 176.300 0.039 0.000 0.992 266 D CA 1.901 55.914 54.000 0.022 0.000 0.833 266 D CB -0.229 40.570 40.800 -0.002 0.000 0.954 266 D HN 0.668 nan 8.370 nan 0.000 0.455 267 I N -3.770 116.843 120.570 0.071 0.000 3.793 267 I HA 0.336 4.524 4.170 0.029 0.000 0.315 267 I C 0.990 177.164 176.117 0.095 0.000 1.275 267 I CA 0.290 61.640 61.300 0.084 0.000 1.214 267 I CB -0.116 37.951 38.000 0.112 0.000 1.018 267 I HN -0.027 nan 8.210 nan 0.000 0.439 268 G N 1.738 110.594 108.800 0.093 0.000 2.295 268 G HA2 -0.357 3.620 3.960 0.029 0.000 0.287 268 G HA3 -0.357 3.620 3.960 0.029 0.000 0.287 268 G C -0.048 174.902 174.900 0.083 0.000 1.055 268 G CA 0.240 45.382 45.100 0.071 0.000 0.922 268 G HN 0.672 nan 8.290 nan 0.000 0.503 269 Y N 0.295 120.619 120.300 0.040 0.000 2.480 269 Y HA 0.493 5.060 4.550 0.030 0.000 0.338 269 Y C 0.905 176.827 175.900 0.036 0.000 1.220 269 Y CA 0.123 58.248 58.100 0.042 0.000 1.430 269 Y CB 0.586 39.085 38.460 0.065 0.000 1.311 269 Y HN 0.398 nan 8.280 nan 0.000 0.575 270 R N 3.831 123.944 120.500 -0.644 0.000 2.538 270 R HA 0.543 4.901 4.340 0.029 0.000 0.292 270 R C -0.414 175.651 176.300 -0.391 0.000 1.008 270 R CA 0.247 56.155 56.100 -0.320 0.000 0.896 270 R CB 1.139 31.314 30.300 -0.210 0.000 1.187 270 R HN 1.038 nan 8.270 nan 0.000 0.440 271 G N 1.945 110.693 108.800 -0.088 0.000 2.472 271 G HA2 0.040 4.018 3.960 0.029 0.000 0.205 271 G HA3 0.040 4.018 3.960 0.029 0.000 0.205 271 G C -1.100 173.916 174.900 0.193 0.000 1.270 271 G CA -0.407 44.686 45.100 -0.012 0.000 0.974 271 G HN 0.843 nan 8.290 nan 0.000 0.542 272 A N -0.586 122.331 122.820 0.160 0.000 2.302 272 A HA 1.022 5.359 4.320 0.029 0.000 0.285 272 A C 0.790 178.541 177.584 0.279 0.000 1.105 272 A CA 0.983 53.133 52.037 0.188 0.000 0.816 272 A CB 1.191 20.244 19.000 0.089 0.000 1.067 272 A HN 2.630 nan 8.150 nan 0.000 0.489 273 G N -0.712 108.161 108.800 0.123 0.000 2.601 273 G HA2 0.571 4.548 3.960 0.029 0.000 0.291 273 G HA3 0.571 4.548 3.960 0.029 0.000 0.291 273 G C -1.191 173.630 174.900 -0.131 0.000 1.456 273 G CA -0.321 44.735 45.100 -0.073 0.000 0.804 273 G HN 0.849 nan 8.290 nan 0.000 0.499 274 T N 0.544 114.974 114.554 -0.207 0.000 2.921 274 T HA 0.546 4.913 4.350 0.029 0.000 0.297 274 T C -1.302 173.268 174.700 -0.217 0.000 1.013 274 T CA -0.231 61.816 62.100 -0.088 0.000 0.990 274 T CB 1.172 70.049 68.868 0.015 0.000 1.023 274 T HN 0.312 nan 8.240 nan 0.000 0.447 275 F N 2.305 122.259 119.950 0.005 0.000 2.391 275 F HA 0.357 4.902 4.527 0.030 0.000 0.359 275 F C 1.028 176.741 175.800 -0.145 0.000 1.122 275 F CA -0.814 57.151 58.000 -0.059 0.000 1.120 275 F CB 0.936 39.961 39.000 0.043 0.000 1.142 275 F HN 0.425 nan 8.300 nan 0.000 0.483 276 E N 4.116 124.175 120.200 -0.234 0.000 2.174 276 E HA 0.455 4.823 4.350 0.029 0.000 0.282 276 E C -1.163 175.160 176.600 -0.462 0.000 0.992 276 E CA -0.430 55.824 56.400 -0.244 0.000 0.803 276 E CB 1.371 30.937 29.700 -0.223 0.000 1.090 276 E HN 0.329 nan 8.360 nan 0.000 0.396 277 F N 1.213 121.089 119.950 -0.125 0.000 2.611 277 F HA 0.448 4.995 4.527 0.033 0.000 0.324 277 F C -0.138 175.671 175.800 0.015 0.000 1.061 277 F CA -1.010 57.014 58.000 0.041 0.000 0.954 277 F CB 1.061 40.250 39.000 0.315 0.000 1.301 277 F HN 0.173 nan 8.300 nan 0.000 0.482 278 L N 1.834 123.285 121.223 0.381 0.000 2.296 278 L HA 0.409 4.766 4.340 0.029 0.000 0.286 278 L C -1.223 175.895 176.870 0.413 0.000 1.023 278 L CA -0.550 54.461 54.840 0.285 0.000 0.812 278 L CB 1.534 43.713 42.059 0.200 0.000 1.223 278 L HN 0.539 nan 8.230 nan 0.000 0.421 279 F N 3.818 123.826 119.950 0.097 0.000 2.402 279 F HA 0.439 4.984 4.527 0.031 0.000 0.355 279 F C -0.119 175.654 175.800 -0.046 0.000 1.123 279 F CA -0.229 57.710 58.000 -0.101 0.000 1.021 279 F CB 1.013 39.877 39.000 -0.227 0.000 1.160 279 F HN 0.464 nan 8.300 nan 0.000 0.451 280 E N 5.660 125.555 120.200 -0.509 0.000 2.291 280 E HA 0.211 4.579 4.350 0.029 0.000 0.276 280 E C -0.882 175.445 176.600 -0.454 0.000 0.896 280 E CA -0.605 55.557 56.400 -0.396 0.000 0.774 280 E CB 0.854 30.487 29.700 -0.111 0.000 1.227 280 E HN 0.739 nan 8.360 nan 0.000 0.413 281 N N 3.097 121.520 118.700 -0.461 0.000 2.738 281 N HA -0.210 4.547 4.740 0.029 0.000 0.249 281 N C 0.492 175.751 175.510 -0.419 0.000 1.047 281 N CA 1.330 54.184 53.050 -0.327 0.000 0.707 281 N CB -1.238 37.151 38.487 -0.163 0.000 0.937 281 N HN 1.021 nan 8.380 nan 0.000 0.545 282 G N -0.898 107.448 108.800 -0.756 0.000 2.168 282 G HA2 -0.324 3.653 3.960 0.029 0.000 0.257 282 G HA3 -0.324 3.653 3.960 0.029 0.000 0.257 282 G C -0.213 174.421 174.900 -0.444 0.000 0.997 282 G CA 0.910 45.689 45.100 -0.535 0.000 0.708 282 G HN 0.525 nan 8.290 nan 0.000 0.520 283 E N -0.760 119.051 120.200 -0.649 0.000 2.212 283 E HA 0.650 5.017 4.350 0.029 0.000 0.268 283 E C -0.562 175.681 176.600 -0.595 0.000 0.902 283 E CA -0.785 55.315 56.400 -0.500 0.000 0.779 283 E CB 1.326 30.756 29.700 -0.450 0.000 1.172 283 E HN 0.142 nan 8.360 nan 0.000 0.409 284 F N 1.349 121.117 119.950 -0.303 0.000 2.422 284 F HA 0.372 4.914 4.527 0.025 0.000 0.333 284 F C -0.293 175.328 175.800 -0.298 0.000 1.095 284 F CA -0.622 57.285 58.000 -0.155 0.000 1.038 284 F CB 0.981 39.819 39.000 -0.271 0.000 1.156 284 F HN 0.301 nan 8.300 nan 0.000 0.483 285 Y N 2.994 123.648 120.300 0.590 0.000 2.322 285 Y HA 0.249 4.817 4.550 0.031 0.000 0.324 285 Y C -0.428 175.769 175.900 0.496 0.000 1.027 285 Y CA -1.288 57.088 58.100 0.459 0.000 1.179 285 Y CB 1.109 39.713 38.460 0.241 0.000 1.136 285 Y HN 0.486 nan 8.280 nan 0.000 0.449 286 F N 4.587 124.774 119.950 0.396 0.000 2.608 286 F HA 0.081 4.625 4.527 0.028 0.000 0.380 286 F C 0.098 175.877 175.800 -0.036 0.000 1.083 286 F CA 0.459 58.408 58.000 -0.085 0.000 1.266 286 F CB 0.528 39.465 39.000 -0.105 0.000 1.076 286 F HN 0.473 nan 8.300 nan 0.000 0.574 287 I N 3.137 123.131 120.570 -0.961 0.000 3.345 287 I HA 0.150 4.337 4.170 0.029 0.000 0.258 287 I C 0.033 175.527 176.117 -1.039 0.000 1.134 287 I CA 0.730 61.623 61.300 -0.680 0.000 1.457 287 I CB -0.648 37.119 38.000 -0.387 0.000 1.425 287 I HN 0.725 nan 8.210 nan 0.000 0.461 288 E N 0.474 119.896 120.200 -1.297 0.000 2.416 288 E HA 0.420 4.788 4.350 0.029 0.000 0.280 288 E C -1.058 175.209 176.600 -0.555 0.000 1.055 288 E CA -0.737 55.166 56.400 -0.829 0.000 0.825 288 E CB 2.348 31.849 29.700 -0.330 0.000 1.312 288 E HN 0.017 nan 8.360 nan 0.000 0.452 289 M N 2.336 121.836 119.600 -0.167 0.000 2.253 289 M HA 0.446 4.944 4.480 0.029 0.000 0.314 289 M C -1.721 174.477 176.300 -0.170 0.000 1.019 289 M CA -0.757 54.408 55.300 -0.225 0.000 0.932 289 M CB 1.540 33.938 32.600 -0.336 0.000 1.606 289 M HN 0.497 nan 8.290 nan 0.000 0.430 290 N N 3.489 122.088 118.700 -0.167 0.000 2.420 290 N HA 0.184 4.941 4.740 0.029 0.000 0.249 290 N C -0.328 175.164 175.510 -0.030 0.000 1.033 290 N CA -0.048 52.965 53.050 -0.061 0.000 0.944 290 N CB 1.400 39.871 38.487 -0.027 0.000 1.113 290 N HN 0.617 nan 8.380 nan 0.000 0.502 291 T N 0.623 115.218 114.554 0.067 0.000 4.058 291 T HA 0.383 4.751 4.350 0.029 0.000 0.252 291 T C 0.415 175.236 174.700 0.202 0.000 1.264 291 T CA -0.585 61.650 62.100 0.224 0.000 1.094 291 T CB -0.547 68.477 68.868 0.261 0.000 1.316 291 T HN 0.701 nan 8.240 nan 0.000 0.872 292 R N -0.668 119.928 120.500 0.160 0.000 2.789 292 R HA 0.566 4.923 4.340 0.029 0.000 0.279 292 R C -1.560 174.805 176.300 0.109 0.000 1.010 292 R CA -1.241 54.937 56.100 0.131 0.000 0.855 292 R CB 0.219 30.611 30.300 0.153 0.000 1.312 292 R HN 0.167 nan 8.270 nan 0.000 0.479 293 I N 1.243 121.876 120.570 0.105 0.000 2.638 293 I HA 0.105 4.292 4.170 0.029 0.000 0.286 293 I C -0.149 176.035 176.117 0.111 0.000 1.088 293 I CA 0.173 61.511 61.300 0.064 0.000 1.397 293 I CB 0.980 38.970 38.000 -0.016 0.000 1.414 293 I HN 0.390 nan 8.210 nan 0.000 0.566 294 Q N 4.487 124.344 119.800 0.095 0.000 2.259 294 Q HA 0.207 4.564 4.340 0.029 0.000 0.246 294 Q C 1.025 177.105 176.000 0.134 0.000 0.920 294 Q CA -0.285 55.570 55.803 0.086 0.000 0.895 294 Q CB 1.869 30.661 28.738 0.090 0.000 1.220 294 Q HN 0.688 nan 8.270 nan 0.000 0.439 295 V N 1.856 121.686 119.914 -0.140 0.000 2.287 295 V HA -0.237 3.900 4.120 0.029 0.000 0.248 295 V C 1.668 177.772 176.094 0.016 0.000 1.053 295 V CA 2.233 64.366 62.300 -0.279 0.000 1.027 295 V CB -0.368 31.113 31.823 -0.570 0.000 0.646 295 V HN 0.774 nan 8.190 nan 0.000 0.447 296 E N 1.145 121.336 120.200 -0.015 0.000 2.320 296 E HA -0.120 4.247 4.350 0.029 0.000 0.189 296 E C 1.520 178.113 176.600 -0.012 0.000 1.100 296 E CA 0.070 56.453 56.400 -0.029 0.000 1.009 296 E CB -0.821 28.861 29.700 -0.031 0.000 1.145 296 E HN 0.892 nan 8.360 nan 0.000 0.454 297 H N 0.139 119.219 119.070 0.017 0.000 2.457 297 H HA 0.051 4.624 4.556 0.029 0.000 0.297 297 H C -1.045 174.302 175.328 0.031 0.000 1.092 297 H CA 0.608 56.676 56.048 0.034 0.000 1.309 297 H CB -1.547 28.245 29.762 0.050 0.000 1.382 297 H HN 0.182 nan 8.280 nan 0.000 0.535 298 P HA -0.152 nan 4.420 nan 0.000 0.216 298 P C 2.316 179.554 177.300 -0.103 0.000 1.150 298 P CA 2.043 64.944 63.100 -0.331 0.000 0.837 298 P CB -0.203 31.297 31.700 -0.334 0.000 0.786 299 V N -3.588 116.289 119.914 -0.061 0.000 2.469 299 V HA -0.237 3.900 4.120 0.029 0.000 0.251 299 V C 1.884 177.985 176.094 0.012 0.000 1.064 299 V CA 2.573 64.871 62.300 -0.003 0.000 1.066 299 V CB -2.242 29.579 31.823 -0.003 0.000 0.667 299 V HN 0.070 nan 8.190 nan 0.000 0.461 300 T N -0.028 114.536 114.554 0.017 0.000 2.904 300 T HA -0.062 4.305 4.350 0.029 0.000 0.267 300 T C 1.814 176.536 174.700 0.037 0.000 1.059 300 T CA 1.650 63.772 62.100 0.037 0.000 1.137 300 T CB -0.237 68.669 68.868 0.064 0.000 0.879 300 T HN 0.668 nan 8.240 nan 0.000 0.467 301 E N 0.903 121.121 120.200 0.029 0.000 2.106 301 E HA -0.039 4.328 4.350 0.029 0.000 0.192 301 E C 2.144 178.739 176.600 -0.009 0.000 0.984 301 E CA 0.969 57.382 56.400 0.022 0.000 0.806 301 E CB -0.133 29.582 29.700 0.024 0.000 0.750 301 E HN 0.503 nan 8.360 nan 0.000 0.458 302 M N 0.327 119.921 119.600 -0.010 0.000 2.319 302 M HA -0.034 4.464 4.480 0.029 0.000 0.265 302 M C 2.401 178.674 176.300 -0.045 0.000 1.068 302 M CA 1.035 56.297 55.300 -0.062 0.000 1.118 302 M CB -0.286 32.322 32.600 0.013 0.000 1.395 302 M HN 0.203 nan 8.290 nan 0.000 0.435 303 I N -2.562 118.062 120.570 0.089 0.000 3.603 303 I HA 0.051 4.238 4.170 0.029 0.000 0.297 303 I C 1.835 178.004 176.117 0.086 0.000 1.269 303 I CA 0.850 62.249 61.300 0.164 0.000 1.361 303 I CB -0.348 37.735 38.000 0.139 0.000 1.063 303 I HN 0.136 nan 8.210 nan 0.000 0.448 304 T N -3.147 111.431 114.554 0.040 0.000 2.978 304 T HA 0.403 4.770 4.350 0.029 0.000 0.248 304 T C 1.629 176.339 174.700 0.017 0.000 1.018 304 T CA 0.545 62.666 62.100 0.033 0.000 1.026 304 T CB 0.392 69.272 68.868 0.021 0.000 1.032 304 T HN 0.592 nan 8.240 nan 0.000 0.485 305 G N 1.067 109.861 108.800 -0.010 0.000 2.136 305 G HA2 -0.187 3.791 3.960 0.029 0.000 0.242 305 G HA3 -0.187 3.791 3.960 0.029 0.000 0.242 305 G C -0.042 174.854 174.900 -0.006 0.000 0.989 305 G CA 0.018 45.103 45.100 -0.025 0.000 0.682 305 G HN 0.738 nan 8.290 nan 0.000 0.522 306 V N 0.736 120.654 119.914 0.007 0.000 2.472 306 V HA 0.521 4.658 4.120 0.029 0.000 0.290 306 V C -0.043 176.068 176.094 0.029 0.000 1.037 306 V CA -0.692 61.618 62.300 0.017 0.000 0.908 306 V CB 1.926 33.761 31.823 0.021 0.000 0.985 306 V HN 0.294 nan 8.190 nan 0.000 0.454 307 D N 3.884 124.300 120.400 0.027 0.000 2.456 307 D HA 0.265 4.922 4.640 0.029 0.000 0.219 307 D C 0.966 177.293 176.300 0.045 0.000 1.126 307 D CA -0.101 53.921 54.000 0.037 0.000 0.890 307 D CB 1.114 41.924 40.800 0.017 0.000 1.025 307 D HN 0.440 nan 8.370 nan 0.000 0.511 308 L N 3.500 124.769 121.223 0.077 0.000 2.131 308 L HA -0.170 4.187 4.340 0.029 0.000 0.210 308 L C 2.098 178.981 176.870 0.023 0.000 1.092 308 L CA 0.578 55.455 54.840 0.062 0.000 0.759 308 L CB -0.162 41.957 42.059 0.100 0.000 0.903 308 L HN 0.514 nan 8.230 nan 0.000 0.435 309 I N -0.031 120.546 120.570 0.011 0.000 2.252 309 I HA -0.224 3.963 4.170 0.029 0.000 0.245 309 I C 2.413 178.533 176.117 0.004 0.000 1.102 309 I CA 1.477 62.772 61.300 -0.008 0.000 1.385 309 I CB -0.866 37.108 38.000 -0.045 0.000 1.064 309 I HN 0.300 nan 8.210 nan 0.000 0.414 310 K N 0.430 120.826 120.400 -0.006 0.000 2.211 310 K HA -0.142 4.196 4.320 0.029 0.000 0.203 310 K C 1.891 178.487 176.600 -0.007 0.000 1.050 310 K CA 0.745 57.017 56.287 -0.025 0.000 0.945 310 K CB 0.067 32.550 32.500 -0.028 0.000 0.732 310 K HN 0.261 nan 8.250 nan 0.000 0.451 311 E N 1.283 121.489 120.200 0.010 0.000 2.072 311 E HA -0.154 4.214 4.350 0.029 0.000 0.191 311 E C 2.036 178.644 176.600 0.014 0.000 0.985 311 E CA 1.057 57.468 56.400 0.018 0.000 0.801 311 E CB -0.073 29.643 29.700 0.026 0.000 0.750 311 E HN 0.355 nan 8.360 nan 0.000 0.452 312 Q N 0.327 120.131 119.800 0.007 0.000 2.061 312 Q HA -0.134 4.223 4.340 0.029 0.000 0.204 312 Q C 2.482 178.464 176.000 -0.030 0.000 0.984 312 Q CA 1.164 56.953 55.803 -0.023 0.000 0.846 312 Q CB -0.210 28.508 28.738 -0.033 0.000 0.902 312 Q HN 0.266 nan 8.270 nan 0.000 0.421 313 L N 0.041 121.261 121.223 -0.005 0.000 2.012 313 L HA -0.230 4.128 4.340 0.029 0.000 0.210 313 L C 2.543 179.464 176.870 0.086 0.000 1.073 313 L CA 1.423 56.273 54.840 0.018 0.000 0.748 313 L CB -0.489 41.540 42.059 -0.049 0.000 0.891 313 L HN 0.199 nan 8.230 nan 0.000 0.431 314 R N 0.027 120.573 120.500 0.076 0.000 2.081 314 R HA -0.124 4.233 4.340 0.029 0.000 0.235 314 R C 2.284 178.619 176.300 0.058 0.000 1.131 314 R CA 1.298 57.465 56.100 0.111 0.000 0.960 314 R CB -0.364 29.980 30.300 0.074 0.000 0.856 314 R HN 0.344 nan 8.270 nan 0.000 0.436 315 I N 0.522 121.108 120.570 0.026 0.000 2.179 315 I HA -0.249 3.939 4.170 0.029 0.000 0.242 315 I C 2.520 178.629 176.117 -0.013 0.000 1.088 315 I CA 1.235 62.537 61.300 0.003 0.000 1.357 315 I CB -0.396 37.600 38.000 -0.007 0.000 1.051 315 I HN 0.193 nan 8.210 nan 0.000 0.409 316 A N 0.580 123.386 122.820 -0.024 0.000 2.070 316 A HA -0.057 4.281 4.320 0.029 0.000 0.220 316 A C 2.255 179.829 177.584 -0.016 0.000 1.159 316 A CA 1.618 53.631 52.037 -0.040 0.000 0.656 316 A CB -0.581 18.375 19.000 -0.072 0.000 0.800 316 A HN 0.445 nan 8.150 nan 0.000 0.453 317 A N -1.801 121.022 122.820 0.005 0.000 2.278 317 A HA 0.434 4.771 4.320 0.029 0.000 0.212 317 A C 1.693 179.257 177.584 -0.034 0.000 1.213 317 A CA 1.048 53.069 52.037 -0.027 0.000 0.840 317 A CB -0.933 18.030 19.000 -0.061 0.000 0.866 317 A HN 1.809 nan 8.150 nan 0.000 0.489 318 G N -1.020 107.768 108.800 -0.020 0.000 2.159 318 G HA2 -0.263 3.714 3.960 0.029 0.000 0.256 318 G HA3 -0.263 3.714 3.960 0.029 0.000 0.256 318 G C 0.050 174.943 174.900 -0.012 0.000 0.977 318 G CA 0.307 45.395 45.100 -0.019 0.000 0.652 318 G HN 0.646 nan 8.290 nan 0.000 0.531 319 Q N 1.380 121.179 119.800 -0.003 0.000 2.314 319 Q HA 0.411 4.769 4.340 0.029 0.000 0.258 319 Q C -1.984 174.021 176.000 0.008 0.000 0.954 319 Q CA -1.552 54.254 55.803 0.004 0.000 0.890 319 Q CB 1.331 30.079 28.738 0.018 0.000 1.210 319 Q HN 0.318 nan 8.270 nan 0.000 0.410 320 P HA -0.017 nan 4.420 nan 0.000 0.272 320 P C -0.336 176.973 177.300 0.014 0.000 1.230 320 P CA -0.182 62.924 63.100 0.010 0.000 0.788 320 P CB 0.719 32.423 31.700 0.007 0.000 0.949 321 L N 1.779 123.013 121.223 0.017 0.000 2.667 321 L HA -0.107 4.251 4.340 0.029 0.000 0.278 321 L C 1.879 178.757 176.870 0.014 0.000 1.217 321 L CA 0.419 55.270 54.840 0.019 0.000 0.935 321 L CB -0.154 41.917 42.059 0.021 0.000 1.193 321 L HN 0.540 nan 8.230 nan 0.000 0.493 322 S N 3.583 119.292 115.700 0.015 0.000 2.561 322 S HA 0.131 4.619 4.470 0.029 0.000 0.225 322 S C 0.511 175.116 174.600 0.008 0.000 0.977 322 S CA -0.002 58.205 58.200 0.012 0.000 0.926 322 S CB 0.103 63.312 63.200 0.016 0.000 0.769 322 S HN 0.405 nan 8.310 nan 0.000 0.533 323 I N 2.139 122.712 120.570 0.005 0.000 2.465 323 I HA 0.511 4.699 4.170 0.029 0.000 0.291 323 I C -0.331 175.777 176.117 -0.015 0.000 1.014 323 I CA -0.783 60.515 61.300 -0.004 0.000 1.093 323 I CB 1.984 39.979 38.000 -0.008 0.000 1.267 323 I HN 0.025 nan 8.210 nan 0.000 0.431 324 K N 3.680 124.069 120.400 -0.019 0.000 2.098 324 K HA 0.230 4.567 4.320 0.029 0.000 0.257 324 K C 0.712 177.270 176.600 -0.069 0.000 0.999 324 K CA -0.571 55.698 56.287 -0.030 0.000 0.924 324 K CB 1.262 33.752 32.500 -0.018 0.000 1.028 324 K HN 0.399 nan 8.250 nan 0.000 0.466 325 Q N 1.816 121.563 119.800 -0.089 0.000 2.096 325 Q HA -0.216 4.141 4.340 0.029 0.000 0.204 325 Q C 1.223 177.098 176.000 -0.209 0.000 0.982 325 Q CA 2.189 57.888 55.803 -0.173 0.000 0.850 325 Q CB -0.061 28.592 28.738 -0.142 0.000 0.901 325 Q HN 0.712 nan 8.270 nan 0.000 0.422 326 E N -0.776 119.341 120.200 -0.138 0.000 2.516 326 E HA -0.105 4.262 4.350 0.029 0.000 0.199 326 E C 0.942 177.455 176.600 -0.145 0.000 1.069 326 E CA 0.719 57.024 56.400 -0.158 0.000 0.876 326 E CB 0.015 29.678 29.700 -0.062 0.000 0.843 326 E HN 0.463 nan 8.360 nan 0.000 0.530 327 E N 0.227 120.374 120.200 -0.088 0.000 2.472 327 E HA 0.082 4.450 4.350 0.029 0.000 0.196 327 E C -0.523 176.106 176.600 0.049 0.000 1.033 327 E CA -0.119 56.320 56.400 0.064 0.000 0.886 327 E CB 0.996 30.722 29.700 0.043 0.000 0.944 327 E HN 0.091 nan 8.360 nan 0.000 0.492 328 V N 2.283 122.081 119.914 -0.193 0.000 2.348 328 V HA 0.165 4.303 4.120 0.029 0.000 0.270 328 V C -0.795 175.097 176.094 -0.337 0.000 1.037 328 V CA -0.415 61.783 62.300 -0.171 0.000 0.872 328 V CB 0.359 32.042 31.823 -0.234 0.000 1.002 328 V HN 0.168 nan 8.190 nan 0.000 0.464 329 H N 2.198 121.242 119.070 -0.044 0.000 2.547 329 H HA 0.503 5.065 4.556 0.009 0.000 0.342 329 H C -0.440 174.888 175.328 0.001 0.000 1.048 329 H CA -0.727 55.309 56.048 -0.020 0.000 1.204 329 H CB 1.809 31.567 29.762 -0.007 0.000 1.493 329 H HN 0.393 nan 8.280 nan 0.000 0.511 330 V N 4.740 124.715 119.914 0.101 0.000 2.439 330 V HA 0.226 4.364 4.120 0.029 0.000 0.271 330 V C 0.186 176.349 176.094 0.115 0.000 1.040 330 V CA 0.025 62.378 62.300 0.087 0.000 1.002 330 V CB -0.209 31.648 31.823 0.058 0.000 1.000 330 V HN 0.687 nan 8.190 nan 0.000 0.477 331 R N 3.971 124.555 120.500 0.141 0.000 2.476 331 R HA 0.678 5.035 4.340 0.029 0.000 0.305 331 R C 0.524 176.975 176.300 0.252 0.000 0.965 331 R CA 0.065 56.264 56.100 0.165 0.000 0.867 331 R CB 1.897 32.288 30.300 0.152 0.000 1.176 331 R HN 0.984 nan 8.270 nan 0.000 0.447 332 G N 1.460 110.346 108.800 0.142 0.000 2.593 332 G HA2 -0.295 3.682 3.960 0.029 0.000 0.237 332 G HA3 -0.295 3.682 3.960 0.029 0.000 0.237 332 G C -1.109 173.776 174.900 -0.025 0.000 1.312 332 G CA -0.130 44.956 45.100 -0.024 0.000 0.896 332 G HN 0.762 nan 8.290 nan 0.000 0.574 333 H N -0.817 118.031 119.070 -0.369 0.000 2.996 333 H HA 0.728 5.298 4.556 0.024 0.000 0.368 333 H C -0.119 175.100 175.328 -0.182 0.000 1.185 333 H CA 0.472 56.410 56.048 -0.182 0.000 1.160 333 H CB 1.648 31.313 29.762 -0.163 0.000 1.820 333 H HN 1.560 nan 8.280 nan 0.000 0.547 334 A N 2.941 125.690 122.820 -0.118 0.000 2.475 334 A HA 0.693 5.030 4.320 0.029 0.000 0.301 334 A C -1.575 176.053 177.584 0.073 0.000 1.059 334 A CA -0.559 51.517 52.037 0.066 0.000 0.710 334 A CB 1.590 20.671 19.000 0.135 0.000 1.288 334 A HN 0.427 nan 8.150 nan 0.000 0.408 335 V N 1.383 121.384 119.914 0.145 0.000 2.638 335 V HA 0.522 4.660 4.120 0.029 0.000 0.306 335 V C -0.318 175.850 176.094 0.123 0.000 1.052 335 V CA -0.484 61.916 62.300 0.166 0.000 0.885 335 V CB 1.787 33.757 31.823 0.245 0.000 0.999 335 V HN 0.984 nan 8.190 nan 0.000 0.424 336 E N 2.978 123.234 120.200 0.095 0.000 2.171 336 E HA 0.534 4.901 4.350 0.029 0.000 0.271 336 E C -1.589 175.043 176.600 0.053 0.000 0.916 336 E CA -0.425 56.014 56.400 0.065 0.000 0.774 336 E CB 1.694 31.410 29.700 0.025 0.000 1.128 336 E HN 0.730 nan 8.360 nan 0.000 0.403 337 C N 4.700 124.037 119.300 0.062 0.000 2.301 337 C HA 0.455 4.932 4.460 0.029 0.000 0.323 337 C C -0.016 175.010 174.990 0.059 0.000 1.265 337 C CA -0.717 58.328 59.018 0.045 0.000 1.503 337 C CB 0.272 28.045 27.740 0.056 0.000 2.195 337 C HN 0.727 nan 8.230 nan 0.000 0.477 338 R N 3.180 123.696 120.500 0.027 0.000 2.389 338 R HA 0.440 4.797 4.340 0.029 0.000 0.295 338 R C -0.437 175.899 176.300 0.061 0.000 1.075 338 R CA -0.160 55.958 56.100 0.030 0.000 1.005 338 R CB 0.505 30.803 30.300 -0.002 0.000 0.987 338 R HN 0.543 nan 8.270 nan 0.000 0.452 339 I N 3.355 123.981 120.570 0.093 0.000 2.321 339 I HA 0.241 4.428 4.170 0.029 0.000 0.291 339 I C -0.073 176.106 176.117 0.102 0.000 0.998 339 I CA -0.485 60.894 61.300 0.133 0.000 1.227 339 I CB 1.025 39.175 38.000 0.250 0.000 1.368 339 I HN 0.617 nan 8.210 nan 0.000 0.466 340 N N 3.612 122.368 118.700 0.093 0.000 2.272 340 N HA 0.662 5.420 4.740 0.029 0.000 0.305 340 N C -0.593 174.971 175.510 0.090 0.000 1.103 340 N CA -0.741 52.361 53.050 0.087 0.000 0.791 340 N CB 2.379 40.911 38.487 0.075 0.000 1.356 340 N HN 0.680 nan 8.380 nan 0.000 0.486 341 A N 1.708 124.580 122.820 0.087 0.000 2.621 341 A HA 0.244 4.581 4.320 0.029 0.000 0.329 341 A C -0.283 177.342 177.584 0.069 0.000 1.458 341 A CA -0.321 51.760 52.037 0.073 0.000 1.052 341 A CB -0.483 18.557 19.000 0.067 0.000 1.142 341 A HN 0.764 nan 8.150 nan 0.000 0.523 342 E N 1.262 121.506 120.200 0.073 0.000 2.336 342 E HA 0.510 4.877 4.350 0.029 0.000 0.267 342 E C -1.355 175.284 176.600 0.065 0.000 0.906 342 E CA -0.929 55.520 56.400 0.081 0.000 0.781 342 E CB 1.381 31.157 29.700 0.126 0.000 1.261 342 E HN 0.314 nan 8.360 nan 0.000 0.436 343 D N 2.062 122.487 120.400 0.041 0.000 2.264 343 D HA 0.138 4.796 4.640 0.029 0.000 0.250 343 D C -1.416 174.875 176.300 -0.015 0.000 1.113 343 D CA -2.469 51.527 54.000 -0.006 0.000 0.871 343 D CB 1.397 42.168 40.800 -0.049 0.000 1.167 343 D HN 0.182 nan 8.370 nan 0.000 0.447 344 P HA -0.082 nan 4.420 nan 0.000 0.230 344 P C 0.075 177.244 177.300 -0.217 0.000 1.158 344 P CA 0.973 64.077 63.100 0.007 0.000 0.769 344 P CB 0.295 32.016 31.700 0.035 0.000 0.807 345 N N -0.552 117.965 118.700 -0.305 0.000 2.368 345 N HA -0.031 4.726 4.740 0.029 0.000 0.178 345 N C 1.531 176.631 175.510 -0.684 0.000 1.021 345 N CA 1.313 54.119 53.050 -0.407 0.000 0.875 345 N CB -0.062 38.295 38.487 -0.217 0.000 1.020 345 N HN 0.169 nan 8.380 nan 0.000 0.433 346 T N -2.848 111.377 114.554 -0.548 0.000 3.023 346 T HA 0.175 4.542 4.350 0.029 0.000 0.253 346 T C 0.218 174.712 174.700 -0.343 0.000 1.038 346 T CA -0.295 61.538 62.100 -0.445 0.000 0.962 346 T CB -0.153 68.605 68.868 -0.183 0.000 1.018 346 T HN 0.120 nan 8.240 nan 0.000 0.521 347 F N -0.830 119.119 119.950 -0.001 0.000 3.021 347 F HA -0.142 4.403 4.527 0.030 0.000 0.294 347 F C 0.230 176.033 175.800 0.005 0.000 0.761 347 F CA -0.664 57.337 58.000 0.002 0.000 1.102 347 F CB -2.286 36.715 39.000 0.001 0.000 1.380 347 F HN 0.271 nan 8.300 nan 0.000 0.387 348 L N 1.184 122.459 121.223 0.086 0.000 2.439 348 L HA 0.488 4.845 4.340 0.029 0.000 0.261 348 L C -1.630 175.267 176.870 0.045 0.000 1.153 348 L CA -1.997 52.877 54.840 0.057 0.000 0.808 348 L CB -0.098 41.966 42.059 0.009 0.000 1.126 348 L HN -0.354 nan 8.230 nan 0.000 0.460 349 P HA -0.011 nan 4.420 nan 0.000 0.262 349 P C -0.892 176.410 177.300 0.003 0.000 1.182 349 P CA 0.191 63.310 63.100 0.032 0.000 0.761 349 P CB 0.476 32.194 31.700 0.029 0.000 0.795 350 S N 4.408 120.115 115.700 0.010 0.000 2.475 350 S HA 0.358 4.845 4.470 0.029 0.000 0.249 350 S C -2.269 172.320 174.600 -0.018 0.000 1.298 350 S CA -1.922 56.273 58.200 -0.008 0.000 1.125 350 S CB -0.338 62.864 63.200 0.004 0.000 1.054 350 S HN 0.212 nan 8.310 nan 0.000 0.484 351 P HA 0.468 nan 4.420 nan 0.000 0.269 351 P C 0.292 177.556 177.300 -0.061 0.000 1.217 351 P CA 0.306 63.369 63.100 -0.062 0.000 0.783 351 P CB 0.665 32.302 31.700 -0.106 0.000 0.898 352 G N -0.069 108.684 108.800 -0.078 0.000 2.339 352 G HA2 0.215 4.192 3.960 0.029 0.000 0.302 352 G HA3 0.215 4.192 3.960 0.029 0.000 0.302 352 G C -1.857 172.980 174.900 -0.105 0.000 1.425 352 G CA -0.826 44.230 45.100 -0.074 0.000 0.899 352 G HN 0.643 nan 8.290 nan 0.000 0.619 353 K N 0.398 120.747 120.400 -0.084 0.000 2.201 353 K HA 0.588 4.926 4.320 0.029 0.000 0.278 353 K C 0.066 176.636 176.600 -0.050 0.000 1.027 353 K CA -0.726 55.504 56.287 -0.096 0.000 0.909 353 K CB 0.677 33.138 32.500 -0.063 0.000 1.062 353 K HN 0.372 nan 8.250 nan 0.000 0.465 354 I N 4.686 125.223 120.570 -0.054 0.000 2.436 354 I HA -0.031 4.157 4.170 0.029 0.000 0.289 354 I C 1.519 177.663 176.117 0.046 0.000 1.083 354 I CA -0.066 61.240 61.300 0.010 0.000 1.372 354 I CB 1.241 39.246 38.000 0.009 0.000 1.408 354 I HN 0.819 nan 8.210 nan 0.000 0.516 355 T N 2.982 117.572 114.554 0.060 0.000 3.057 355 T HA 0.127 4.494 4.350 0.029 0.000 0.254 355 T C 0.740 175.498 174.700 0.097 0.000 1.094 355 T CA -0.032 62.108 62.100 0.068 0.000 1.088 355 T CB 0.223 69.118 68.868 0.046 0.000 0.934 355 T HN 0.590 nan 8.240 nan 0.000 0.497 356 R N -0.342 120.235 120.500 0.127 0.000 2.522 356 R HA 0.563 4.920 4.340 0.029 0.000 0.273 356 R C -2.415 174.030 176.300 0.243 0.000 1.133 356 R CA -0.932 55.259 56.100 0.151 0.000 0.969 356 R CB 1.459 31.813 30.300 0.091 0.000 1.235 356 R HN 0.294 nan 8.270 nan 0.000 0.433 357 F N 3.733 123.734 119.950 0.084 0.000 2.557 357 F HA 0.466 5.010 4.527 0.028 0.000 0.316 357 F C -1.624 174.239 175.800 0.105 0.000 1.141 357 F CA -0.642 57.409 58.000 0.084 0.000 0.922 357 F CB 1.729 40.787 39.000 0.097 0.000 1.194 357 F HN 0.731 nan 8.300 nan 0.000 0.443 358 H N 4.458 122.984 119.070 -0.907 0.000 2.934 358 H HA 0.706 5.279 4.556 0.029 0.000 0.340 358 H C -1.329 173.370 175.328 -1.049 0.000 1.008 358 H CA -0.300 55.231 56.048 -0.862 0.000 1.317 358 H CB 1.650 31.176 29.762 -0.393 0.000 1.670 358 H HN 0.893 nan 8.280 nan 0.000 0.516 359 A N 6.239 128.157 122.820 -1.505 0.000 2.316 359 A HA 0.495 4.832 4.320 0.029 0.000 0.284 359 A C -2.295 174.798 177.584 -0.819 0.000 1.115 359 A CA -1.421 49.913 52.037 -1.171 0.000 0.812 359 A CB 0.045 18.466 19.000 -0.965 0.000 1.064 359 A HN 0.644 nan 8.150 nan 0.000 0.489 360 P HA 0.461 nan 4.420 nan 0.000 0.274 360 P C 0.125 177.294 177.300 -0.218 0.000 1.246 360 P CA 0.116 63.036 63.100 -0.301 0.000 0.795 360 P CB 1.305 32.875 31.700 -0.216 0.000 1.006 361 G N -2.013 106.722 108.800 -0.108 0.000 2.866 361 G HA2 0.708 4.686 3.960 0.029 0.000 0.289 361 G HA3 0.708 4.686 3.960 0.029 0.000 0.289 361 G C -0.597 174.296 174.900 -0.012 0.000 1.396 361 G CA -0.482 44.585 45.100 -0.054 0.000 0.848 361 G HN 0.823 nan 8.290 nan 0.000 0.515 362 G N -1.983 106.820 108.800 0.006 0.000 2.479 362 G HA2 0.471 4.448 3.960 0.029 0.000 0.686 362 G HA3 0.471 4.448 3.960 0.029 0.000 0.686 362 G C 0.068 174.990 174.900 0.036 0.000 1.295 362 G CA 0.077 45.189 45.100 0.019 0.000 0.922 362 G HN 2.122 nan 8.290 nan 0.000 0.582 363 A N -0.350 122.495 122.820 0.042 0.000 2.511 363 A HA 0.646 4.984 4.320 0.029 0.000 0.242 363 A C 1.998 179.636 177.584 0.089 0.000 1.069 363 A CA 2.051 54.124 52.037 0.059 0.000 0.763 363 A CB -0.156 18.880 19.000 0.059 0.000 1.001 363 A HN 2.922 nan 8.150 nan 0.000 0.498 364 G N 0.907 109.772 108.800 0.109 0.000 2.187 364 G HA2 -0.148 3.830 3.960 0.029 0.000 0.261 364 G HA3 -0.148 3.830 3.960 0.029 0.000 0.261 364 G C 0.095 175.081 174.900 0.142 0.000 1.000 364 G CA 0.366 45.566 45.100 0.168 0.000 0.718 364 G HN 1.422 nan 8.290 nan 0.000 0.519 365 V N 0.625 120.599 119.914 0.101 0.000 2.347 365 V HA 0.596 4.734 4.120 0.029 0.000 0.280 365 V C 0.592 176.756 176.094 0.117 0.000 1.021 365 V CA -0.597 61.764 62.300 0.103 0.000 0.847 365 V CB 1.497 33.362 31.823 0.069 0.000 0.990 365 V HN 0.470 nan 8.190 nan 0.000 0.444 366 R N 5.143 125.730 120.500 0.145 0.000 2.437 366 R HA 0.371 4.729 4.340 0.029 0.000 0.310 366 R C -1.346 175.111 176.300 0.262 0.000 0.955 366 R CA -0.591 55.602 56.100 0.154 0.000 0.851 366 R CB 1.342 31.696 30.300 0.090 0.000 1.161 366 R HN 0.816 nan 8.270 nan 0.000 0.446 367 W N 6.424 127.742 121.300 0.030 0.000 2.411 367 W HA 0.322 4.999 4.660 0.028 0.000 0.317 367 W C -1.257 175.291 176.519 0.047 0.000 1.030 367 W CA -0.659 56.714 57.345 0.047 0.000 1.239 367 W CB 1.693 31.190 29.460 0.061 0.000 1.304 367 W HN 0.524 nan 8.180 nan 0.000 0.437 368 E N 4.791 124.725 120.200 -0.444 0.000 2.121 368 E HA 0.272 4.639 4.350 0.029 0.000 0.255 368 E C -0.950 175.200 176.600 -0.750 0.000 0.906 368 E CA -0.146 55.985 56.400 -0.449 0.000 0.745 368 E CB 1.808 31.373 29.700 -0.226 0.000 1.155 368 E HN 0.321 nan 8.360 nan 0.000 0.424 369 S N 1.599 116.850 115.700 -0.749 0.000 2.558 369 S HA 0.168 4.656 4.470 0.029 0.000 0.277 369 S C 0.059 174.497 174.600 -0.271 0.000 1.143 369 S CA -0.660 57.185 58.200 -0.592 0.000 0.865 369 S CB 0.550 63.103 63.200 -1.079 0.000 1.102 369 S HN 0.591 nan 8.310 nan 0.000 0.454 370 H N 3.318 122.210 119.070 -0.296 0.000 2.553 370 H HA 0.315 4.888 4.556 0.029 0.000 0.265 370 H C 1.039 176.166 175.328 -0.334 0.000 0.964 370 H CA 0.152 56.057 56.048 -0.238 0.000 1.156 370 H CB -0.827 28.793 29.762 -0.237 0.000 1.411 370 H HN 0.674 nan 8.280 nan 0.000 0.558 371 I N -0.178 119.892 120.570 -0.834 0.000 2.779 371 I HA 0.360 4.547 4.170 0.029 0.000 0.285 371 I C -0.591 175.191 176.117 -0.557 0.000 1.134 371 I CA -0.903 59.886 61.300 -0.850 0.000 1.398 371 I CB 0.585 38.146 38.000 -0.733 0.000 1.404 371 I HN 0.034 nan 8.210 nan 0.000 0.587 372 Y N 2.592 122.657 120.300 -0.392 0.000 2.656 372 Y HA 0.753 5.320 4.550 0.029 0.000 0.334 372 Y C -0.435 175.514 175.900 0.082 0.000 1.179 372 Y CA -1.546 56.494 58.100 -0.100 0.000 1.050 372 Y CB 0.382 38.867 38.460 0.040 0.000 1.308 372 Y HN 0.843 nan 8.280 nan 0.000 0.456 373 A N 1.052 124.146 122.820 0.457 0.000 2.546 373 A HA 0.433 4.771 4.320 0.029 0.000 0.243 373 A C 1.448 179.215 177.584 0.304 0.000 1.063 373 A CA 1.063 53.302 52.037 0.336 0.000 0.757 373 A CB -1.234 17.956 19.000 0.317 0.000 0.991 373 A HN 2.288 nan 8.150 nan 0.000 0.503 374 G N 0.454 109.351 108.800 0.161 0.000 2.199 374 G HA2 -0.282 3.695 3.960 0.029 0.000 0.254 374 G HA3 -0.282 3.695 3.960 0.029 0.000 0.254 374 G C 0.188 175.111 174.900 0.038 0.000 0.982 374 G CA 0.592 45.772 45.100 0.133 0.000 0.632 374 G HN 1.693 nan 8.290 nan 0.000 0.529 375 Y N 2.496 122.596 120.300 -0.333 0.000 2.411 375 Y HA 0.551 5.118 4.550 0.029 0.000 0.333 375 Y C 0.445 176.189 175.900 -0.259 0.000 1.186 375 Y CA 0.617 58.371 58.100 -0.577 0.000 1.381 375 Y CB 1.018 38.744 38.460 -1.224 0.000 1.273 375 Y HN 0.068 nan 8.280 nan 0.000 0.546 376 T N 6.440 120.384 114.554 -1.017 0.000 2.771 376 T HA 0.357 4.725 4.350 0.029 0.000 0.281 376 T C -0.877 173.245 174.700 -0.963 0.000 0.982 376 T CA -0.636 61.031 62.100 -0.722 0.000 0.978 376 T CB 0.710 69.364 68.868 -0.357 0.000 0.930 376 T HN 0.470 nan 8.240 nan 0.000 0.447 377 V N 7.981 127.606 119.914 -0.480 0.000 2.405 377 V HA 0.225 4.362 4.120 0.029 0.000 0.264 377 V C -1.582 174.460 176.094 -0.086 0.000 1.048 377 V CA -1.624 60.565 62.300 -0.184 0.000 0.966 377 V CB 0.107 31.917 31.823 -0.021 0.000 1.015 377 V HN 0.712 nan 8.190 nan 0.000 0.477 378 P HA 0.215 nan 4.420 nan 0.000 0.272 378 P C -2.190 175.067 177.300 -0.072 0.000 1.230 378 P CA -1.520 61.611 63.100 0.052 0.000 0.788 378 P CB 0.823 32.704 31.700 0.303 0.000 0.949 379 P HA 0.010 nan 4.420 nan 0.000 0.251 379 P C 0.763 177.764 177.300 -0.498 0.000 1.223 379 P CA 0.748 63.602 63.100 -0.410 0.000 0.796 379 P CB -0.032 31.372 31.700 -0.493 0.000 1.068 380 Y N -1.063 118.987 120.300 -0.416 0.000 2.616 380 Y HA 0.013 4.580 4.550 0.029 0.000 0.296 380 Y C 1.221 176.648 175.900 -0.787 0.000 1.154 380 Y CA 0.478 58.163 58.100 -0.691 0.000 1.325 380 Y CB -0.650 37.244 38.460 -0.944 0.000 1.007 380 Y HN -0.015 nan 8.280 nan 0.000 0.542 381 Y N -1.150 119.287 120.300 0.228 0.000 3.300 381 Y HA 0.278 4.845 4.550 0.029 0.000 0.297 381 Y C 0.238 176.198 175.900 0.100 0.000 1.747 381 Y CA -1.812 56.400 58.100 0.186 0.000 0.937 381 Y CB -0.268 38.327 38.460 0.225 0.000 1.377 381 Y HN -0.194 nan 8.280 nan 0.000 0.662 382 D N -0.399 120.166 120.400 0.275 0.000 2.377 382 D HA 0.084 4.742 4.640 0.029 0.000 0.245 382 D C 0.817 177.207 176.300 0.150 0.000 1.196 382 D CA 0.047 54.134 54.000 0.146 0.000 0.962 382 D CB 1.114 41.969 40.800 0.091 0.000 1.127 382 D HN 0.493 nan 8.370 nan 0.000 0.471 383 S N -0.102 115.663 115.700 0.109 0.000 2.528 383 S HA -0.033 4.454 4.470 0.029 0.000 0.219 383 S C 1.105 175.772 174.600 0.112 0.000 0.985 383 S CA -0.458 57.806 58.200 0.106 0.000 0.914 383 S CB -0.458 62.795 63.200 0.088 0.000 0.776 383 S HN 0.585 nan 8.310 nan 0.000 0.526 384 M N 2.907 122.571 119.600 0.108 0.000 2.268 384 M HA 0.258 4.755 4.480 0.029 0.000 0.349 384 M C 0.565 176.956 176.300 0.150 0.000 1.485 384 M CA 0.044 55.407 55.300 0.103 0.000 1.094 384 M CB 0.378 33.026 32.600 0.080 0.000 1.843 384 M HN 0.493 nan 8.290 nan 0.000 0.460 385 I N 1.709 122.354 120.570 0.124 0.000 4.082 385 I HA 0.619 4.807 4.170 0.029 0.000 0.337 385 I C 0.491 176.601 176.117 -0.012 0.000 1.352 385 I CA -0.195 61.173 61.300 0.113 0.000 1.097 385 I CB 0.195 38.213 38.000 0.030 0.000 1.048 385 I HN 0.703 nan 8.210 nan 0.000 0.393 386 G N 1.150 109.930 108.800 -0.034 0.000 2.328 386 G HA2 0.404 4.381 3.960 0.029 0.000 0.295 386 G HA3 0.404 4.381 3.960 0.029 0.000 0.295 386 G C -1.996 172.798 174.900 -0.176 0.000 1.413 386 G CA -0.959 43.986 45.100 -0.257 0.000 0.817 386 G HN 0.078 nan 8.290 nan 0.000 0.546 387 K N -0.238 119.986 120.400 -0.293 0.000 2.471 387 K HA 0.557 4.894 4.320 0.029 0.000 0.252 387 K C -1.496 175.116 176.600 0.020 0.000 0.938 387 K CA -0.814 55.422 56.287 -0.085 0.000 0.796 387 K CB 2.813 35.268 32.500 -0.076 0.000 1.161 387 K HN 0.382 nan 8.250 nan 0.000 0.425 388 L N 4.689 126.041 121.223 0.215 0.000 2.280 388 L HA 0.505 4.863 4.340 0.029 0.000 0.287 388 L C -1.525 175.457 176.870 0.187 0.000 1.023 388 L CA -0.483 54.565 54.840 0.346 0.000 0.819 388 L CB 0.668 42.963 42.059 0.394 0.000 1.212 388 L HN 0.496 nan 8.230 nan 0.000 0.420 389 I N 4.999 125.668 120.570 0.164 0.000 2.406 389 I HA 0.436 4.624 4.170 0.029 0.000 0.290 389 I C -0.603 175.598 176.117 0.139 0.000 0.999 389 I CA -0.116 61.255 61.300 0.119 0.000 1.124 389 I CB 1.606 39.647 38.000 0.069 0.000 1.289 389 I HN 0.484 nan 8.210 nan 0.000 0.441 390 C N 5.473 124.859 119.300 0.142 0.000 2.345 390 C HA 0.526 5.003 4.460 0.029 0.000 0.323 390 C C -0.417 174.684 174.990 0.185 0.000 1.276 390 C CA -0.735 58.375 59.018 0.153 0.000 1.543 390 C CB 0.593 28.407 27.740 0.122 0.000 2.211 390 C HN 0.692 nan 8.230 nan 0.000 0.493 391 Y N 1.942 122.282 120.300 0.067 0.000 2.457 391 Y HA 0.788 5.353 4.550 0.025 0.000 0.333 391 Y C 0.243 176.182 175.900 0.065 0.000 1.119 391 Y CA 0.113 58.252 58.100 0.066 0.000 1.143 391 Y CB 1.478 39.966 38.460 0.046 0.000 1.230 391 Y HN 0.807 nan 8.280 nan 0.000 0.469 392 G N 3.024 111.371 108.800 -0.755 0.000 2.692 392 G HA2 0.231 4.208 3.960 0.029 0.000 0.291 392 G HA3 0.231 4.208 3.960 0.029 0.000 0.291 392 G C -0.557 173.945 174.900 -0.664 0.000 1.423 392 G CA -0.660 44.158 45.100 -0.470 0.000 0.843 392 G HN 0.603 nan 8.290 nan 0.000 0.486 393 E N -0.443 119.598 120.200 -0.264 0.000 2.265 393 E HA -0.091 4.276 4.350 0.029 0.000 0.196 393 E C 0.483 176.996 176.600 -0.145 0.000 0.996 393 E CA 1.188 57.498 56.400 -0.149 0.000 0.832 393 E CB -0.249 29.432 29.700 -0.032 0.000 0.756 393 E HN 0.557 nan 8.360 nan 0.000 0.491 394 N N -1.112 117.490 118.700 -0.163 0.000 2.708 394 N HA 0.160 4.917 4.740 0.029 0.000 0.257 394 N C 0.167 175.554 175.510 -0.204 0.000 1.373 394 N CA -0.775 52.190 53.050 -0.143 0.000 0.843 394 N CB 1.203 39.619 38.487 -0.118 0.000 1.503 394 N HN -0.179 nan 8.380 nan 0.000 0.504 395 R N -0.379 119.898 120.500 -0.371 0.000 2.103 395 R HA -0.187 4.170 4.340 0.029 0.000 0.242 395 R C 0.139 176.249 176.300 -0.316 0.000 1.142 395 R CA 2.179 57.896 56.100 -0.638 0.000 0.960 395 R CB -0.405 29.322 30.300 -0.956 0.000 0.858 395 R HN 0.648 nan 8.270 nan 0.000 0.439 396 D N -0.444 119.820 120.400 -0.228 0.000 2.117 396 D HA -0.125 4.532 4.640 0.029 0.000 0.197 396 D C 1.888 178.136 176.300 -0.088 0.000 0.987 396 D CA 1.170 55.086 54.000 -0.140 0.000 0.829 396 D CB -0.138 40.595 40.800 -0.111 0.000 0.961 396 D HN 0.099 nan 8.370 nan 0.000 0.460 397 V N 1.125 120.984 119.914 -0.091 0.000 2.358 397 V HA -0.201 3.936 4.120 0.029 0.000 0.246 397 V C 2.454 178.525 176.094 -0.039 0.000 1.047 397 V CA 1.681 63.946 62.300 -0.058 0.000 1.035 397 V CB -0.693 31.089 31.823 -0.069 0.000 0.658 397 V HN 0.183 nan 8.190 nan 0.000 0.452 398 A N -0.040 122.746 122.820 -0.057 0.000 1.877 398 A HA -0.182 4.155 4.320 0.029 0.000 0.216 398 A C 2.178 179.795 177.584 0.054 0.000 1.186 398 A CA 1.945 53.986 52.037 0.006 0.000 0.620 398 A CB -0.526 18.505 19.000 0.052 0.000 0.822 398 A HN 0.497 nan 8.150 nan 0.000 0.443 399 I N -0.319 120.276 120.570 0.040 0.000 2.179 399 I HA -0.278 3.909 4.170 0.029 0.000 0.242 399 I C 2.990 179.151 176.117 0.074 0.000 1.088 399 I CA 1.042 62.401 61.300 0.098 0.000 1.357 399 I CB -0.401 37.648 38.000 0.082 0.000 1.051 399 I HN 0.368 nan 8.210 nan 0.000 0.409 400 A N 0.859 123.699 122.820 0.034 0.000 1.940 400 A HA -0.221 4.117 4.320 0.029 0.000 0.219 400 A C 2.388 179.993 177.584 0.035 0.000 1.176 400 A CA 1.595 53.649 52.037 0.029 0.000 0.631 400 A CB -0.568 18.438 19.000 0.009 0.000 0.814 400 A HN 0.342 nan 8.150 nan 0.000 0.446 401 R N -2.009 118.515 120.500 0.039 0.000 2.090 401 R HA -0.057 4.300 4.340 0.029 0.000 0.228 401 R C 2.172 178.505 176.300 0.054 0.000 1.110 401 R CA 1.456 57.583 56.100 0.045 0.000 0.973 401 R CB -0.347 29.986 30.300 0.055 0.000 0.869 401 R HN 0.540 nan 8.270 nan 0.000 0.440 402 M N 1.523 121.165 119.600 0.071 0.000 2.117 402 M HA -0.156 4.341 4.480 0.029 0.000 0.262 402 M C 1.587 177.919 176.300 0.055 0.000 1.065 402 M CA 1.792 57.138 55.300 0.076 0.000 1.114 402 M CB -0.013 32.647 32.600 0.100 0.000 1.361 402 M HN -0.115 nan 8.290 nan 0.000 0.408 403 K N -0.461 119.970 120.400 0.052 0.000 2.057 403 K HA -0.115 4.222 4.320 0.029 0.000 0.207 403 K C 1.834 178.449 176.600 0.025 0.000 1.049 403 K CA 1.849 58.159 56.287 0.038 0.000 0.931 403 K CB -0.426 32.099 32.500 0.041 0.000 0.714 403 K HN 0.581 nan 8.250 nan 0.000 0.440 404 N N 0.624 119.338 118.700 0.023 0.000 2.106 404 N HA -0.140 4.617 4.740 0.029 0.000 0.188 404 N C 1.932 177.444 175.510 0.003 0.000 1.029 404 N CA 0.804 53.862 53.050 0.012 0.000 0.848 404 N CB -0.117 38.378 38.487 0.014 0.000 1.007 404 N HN 0.154 nan 8.380 nan 0.000 0.423 405 A N 1.448 124.273 122.820 0.008 0.000 1.908 405 A HA -0.107 4.230 4.320 0.029 0.000 0.218 405 A C 2.138 179.705 177.584 -0.029 0.000 1.181 405 A CA 1.102 53.132 52.037 -0.012 0.000 0.627 405 A CB -0.746 18.262 19.000 0.013 0.000 0.818 405 A HN 0.192 nan 8.150 nan 0.000 0.445 406 L N -0.996 120.227 121.223 -0.001 0.000 2.141 406 L HA -0.228 4.130 4.340 0.029 0.000 0.209 406 L C 2.812 179.676 176.870 -0.010 0.000 1.094 406 L CA 1.320 56.160 54.840 -0.001 0.000 0.763 406 L CB -0.459 41.611 42.059 0.019 0.000 0.908 406 L HN 0.506 nan 8.230 nan 0.000 0.437 407 Q N -0.322 119.473 119.800 -0.009 0.000 2.172 407 Q HA -0.186 4.172 4.340 0.029 0.000 0.200 407 Q C 1.887 177.874 176.000 -0.021 0.000 0.964 407 Q CA 1.193 56.990 55.803 -0.010 0.000 0.855 407 Q CB 0.069 28.804 28.738 -0.006 0.000 0.918 407 Q HN 0.539 nan 8.270 nan 0.000 0.444 408 E N 0.226 120.408 120.200 -0.030 0.000 2.299 408 E HA -0.047 4.321 4.350 0.029 0.000 0.193 408 E C -0.033 176.541 176.600 -0.044 0.000 0.998 408 E CA -0.206 56.181 56.400 -0.023 0.000 0.851 408 E CB 0.235 29.923 29.700 -0.020 0.000 0.795 408 E HN 0.081 nan 8.360 nan 0.000 0.492 409 L N 1.863 123.026 121.223 -0.101 0.000 2.462 409 L HA 0.139 4.497 4.340 0.029 0.000 0.272 409 L C -0.635 176.196 176.870 -0.064 0.000 1.166 409 L CA 0.736 55.480 54.840 -0.159 0.000 0.880 409 L CB 0.301 42.266 42.059 -0.158 0.000 1.142 409 L HN -0.072 nan 8.230 nan 0.000 0.473 410 I N 6.830 127.363 120.570 -0.062 0.000 2.499 410 I HA 0.399 4.587 4.170 0.029 0.000 0.288 410 I C -0.797 175.405 176.117 0.142 0.000 1.048 410 I CA -0.338 60.975 61.300 0.023 0.000 1.062 410 I CB 1.585 39.589 38.000 0.007 0.000 1.238 410 I HN 0.481 nan 8.210 nan 0.000 0.426 411 I N 5.126 125.791 120.570 0.159 0.000 2.576 411 I HA 0.285 4.472 4.170 0.029 0.000 0.279 411 I C -1.331 174.863 176.117 0.128 0.000 1.114 411 I CA -0.498 60.931 61.300 0.215 0.000 1.076 411 I CB 1.347 39.478 38.000 0.218 0.000 1.212 411 I HN 0.404 nan 8.210 nan 0.000 0.472 412 D N 3.473 123.942 120.400 0.115 0.000 2.268 412 D HA 0.635 5.292 4.640 0.029 0.000 0.249 412 D C 1.045 177.381 176.300 0.061 0.000 1.008 412 D CA 0.364 54.408 54.000 0.073 0.000 0.939 412 D CB 2.259 43.096 40.800 0.061 0.000 1.170 412 D HN 0.761 nan 8.370 nan 0.000 0.468 413 G N -0.058 108.766 108.800 0.040 0.000 2.232 413 G HA2 -0.191 3.786 3.960 0.029 0.000 0.226 413 G HA3 -0.191 3.786 3.960 0.029 0.000 0.226 413 G C 0.335 175.243 174.900 0.014 0.000 0.996 413 G CA 0.440 45.554 45.100 0.024 0.000 0.626 413 G HN 0.619 nan 8.290 nan 0.000 0.509 414 I N -2.932 117.652 120.570 0.024 0.000 3.174 414 I HA 0.788 4.976 4.170 0.029 0.000 0.313 414 I C -0.602 175.534 176.117 0.030 0.000 1.155 414 I CA -1.681 59.630 61.300 0.019 0.000 0.977 414 I CB 1.696 39.706 38.000 0.017 0.000 1.248 414 I HN -0.100 nan 8.210 nan 0.000 0.453 415 K N 2.074 122.491 120.400 0.027 0.000 2.201 415 K HA 0.528 4.865 4.320 0.029 0.000 0.278 415 K C -0.292 176.338 176.600 0.051 0.000 1.027 415 K CA -0.383 55.925 56.287 0.034 0.000 0.909 415 K CB 1.547 34.062 32.500 0.025 0.000 1.062 415 K HN 0.838 nan 8.250 nan 0.000 0.465 416 T N -1.635 112.954 114.554 0.059 0.000 2.864 416 T HA 0.242 4.609 4.350 0.029 0.000 0.289 416 T C 0.333 175.077 174.700 0.072 0.000 1.082 416 T CA -0.984 61.160 62.100 0.073 0.000 1.009 416 T CB 1.022 69.942 68.868 0.087 0.000 1.234 416 T HN 0.582 nan 8.240 nan 0.000 0.526 417 N N 0.311 119.056 118.700 0.076 0.000 2.251 417 N HA 0.080 4.838 4.740 0.029 0.000 0.217 417 N C 1.270 176.812 175.510 0.054 0.000 1.124 417 N CA -0.245 52.844 53.050 0.064 0.000 0.843 417 N CB -0.384 38.136 38.487 0.057 0.000 1.024 417 N HN 0.370 nan 8.380 nan 0.000 0.501 418 V N 1.060 121.012 119.914 0.063 0.000 2.287 418 V HA -0.243 3.894 4.120 0.029 0.000 0.248 418 V C 1.853 177.969 176.094 0.037 0.000 1.053 418 V CA 2.041 64.375 62.300 0.057 0.000 1.027 418 V CB -0.407 31.454 31.823 0.064 0.000 0.646 418 V HN 0.272 nan 8.190 nan 0.000 0.447 419 D N -0.130 120.292 120.400 0.036 0.000 2.123 419 D HA -0.173 4.484 4.640 0.029 0.000 0.196 419 D C 2.027 178.340 176.300 0.020 0.000 0.992 419 D CA 1.500 55.516 54.000 0.027 0.000 0.833 419 D CB -0.282 40.535 40.800 0.029 0.000 0.954 419 D HN 0.386 nan 8.370 nan 0.000 0.455 420 L N 1.198 122.435 121.223 0.023 0.000 2.017 420 L HA -0.190 4.167 4.340 0.029 0.000 0.208 420 L C 2.084 178.946 176.870 -0.013 0.000 1.073 420 L CA 1.722 56.567 54.840 0.009 0.000 0.745 420 L CB -0.643 41.423 42.059 0.012 0.000 0.894 420 L HN -0.098 nan 8.230 nan 0.000 0.432 421 Q N -0.115 119.679 119.800 -0.011 0.000 2.135 421 Q HA -0.188 4.170 4.340 0.029 0.000 0.204 421 Q C 2.401 178.377 176.000 -0.039 0.000 0.981 421 Q CA 2.213 57.995 55.803 -0.034 0.000 0.856 421 Q CB -0.367 28.369 28.738 -0.003 0.000 0.902 421 Q HN 0.653 nan 8.270 nan 0.000 0.425 422 I N 0.275 120.840 120.570 -0.009 0.000 2.226 422 I HA -0.279 3.908 4.170 0.029 0.000 0.245 422 I C 2.468 178.582 176.117 -0.004 0.000 1.100 422 I CA 1.040 62.340 61.300 -0.001 0.000 1.374 422 I CB -0.215 37.791 38.000 0.011 0.000 1.057 422 I HN 0.161 nan 8.210 nan 0.000 0.413 423 R N 0.672 121.170 120.500 -0.004 0.000 2.081 423 R HA -0.125 4.232 4.340 0.029 0.000 0.235 423 R C 2.304 178.600 176.300 -0.007 0.000 1.131 423 R CA 1.391 57.494 56.100 0.005 0.000 0.960 423 R CB -0.321 29.985 30.300 0.010 0.000 0.856 423 R HN 0.358 nan 8.270 nan 0.000 0.436 424 I N 0.361 120.894 120.570 -0.062 0.000 2.252 424 I HA -0.262 3.925 4.170 0.029 0.000 0.245 424 I C 2.208 178.195 176.117 -0.218 0.000 1.102 424 I CA 0.982 62.189 61.300 -0.156 0.000 1.385 424 I CB -0.213 37.619 38.000 -0.280 0.000 1.064 424 I HN 0.149 nan 8.210 nan 0.000 0.414 425 M N 0.222 119.728 119.600 -0.156 0.000 2.279 425 M HA -0.148 4.349 4.480 0.029 0.000 0.264 425 M C 1.485 177.863 176.300 0.131 0.000 1.062 425 M CA 1.457 56.754 55.300 -0.004 0.000 1.099 425 M CB -1.257 31.362 32.600 0.032 0.000 1.394 425 M HN 0.283 nan 8.290 nan 0.000 0.426 426 N N 0.404 119.151 118.700 0.077 0.000 2.336 426 N HA -0.027 4.730 4.740 0.029 0.000 0.189 426 N C 0.158 175.737 175.510 0.114 0.000 1.113 426 N CA 0.138 53.242 53.050 0.090 0.000 0.858 426 N CB 0.116 38.637 38.487 0.057 0.000 0.970 426 N HN 0.398 nan 8.380 nan 0.000 0.471 427 D N 1.349 121.835 120.400 0.142 0.000 2.434 427 D HA -0.080 4.577 4.640 0.029 0.000 0.252 427 D C 0.942 177.352 176.300 0.183 0.000 1.185 427 D CA 0.158 54.263 54.000 0.175 0.000 0.886 427 D CB 1.330 42.259 40.800 0.216 0.000 1.148 427 D HN 0.002 nan 8.370 nan 0.000 0.483 428 E N 3.531 123.812 120.200 0.136 0.000 2.118 428 E HA -0.187 4.180 4.350 0.029 0.000 0.195 428 E C 1.307 177.957 176.600 0.083 0.000 0.992 428 E CA 1.346 57.805 56.400 0.098 0.000 0.804 428 E CB 0.094 29.839 29.700 0.075 0.000 0.741 428 E HN 0.490 nan 8.360 nan 0.000 0.458 429 N N -0.637 118.106 118.700 0.072 0.000 2.270 429 N HA -0.132 4.626 4.740 0.029 0.000 0.181 429 N C 1.700 177.174 175.510 -0.062 0.000 1.016 429 N CA 0.928 53.954 53.050 -0.040 0.000 0.870 429 N CB -0.318 38.050 38.487 -0.197 0.000 0.979 429 N HN 0.253 nan 8.380 nan 0.000 0.431 430 F N 2.317 122.172 119.950 -0.158 0.000 2.163 430 F HA -0.098 4.448 4.527 0.032 0.000 0.297 430 F C 2.349 178.118 175.800 -0.052 0.000 1.094 430 F CA 1.145 59.072 58.000 -0.121 0.000 1.290 430 F CB -0.014 38.947 39.000 -0.065 0.000 1.017 430 F HN -0.035 nan 8.300 nan 0.000 0.483 431 Q N -1.081 118.687 119.800 -0.055 0.000 2.226 431 Q HA -0.275 4.082 4.340 0.029 0.000 0.204 431 Q C 1.849 177.748 176.000 -0.169 0.000 0.975 431 Q CA 1.798 57.516 55.803 -0.142 0.000 0.866 431 Q CB -0.462 28.283 28.738 0.013 0.000 0.915 431 Q HN 0.614 nan 8.270 nan 0.000 0.440 432 H N -0.343 118.623 119.070 -0.173 0.000 2.436 432 H HA 0.131 4.706 4.556 0.032 0.000 0.294 432 H C 0.501 175.715 175.328 -0.190 0.000 1.048 432 H CA 1.131 57.091 56.048 -0.146 0.000 1.353 432 H CB 0.090 29.795 29.762 -0.096 0.000 1.414 432 H HN 0.265 nan 8.280 nan 0.000 0.536 433 G N -1.862 106.796 108.800 -0.235 0.000 2.712 433 G HA2 0.223 4.201 3.960 0.029 0.000 0.686 433 G HA3 0.223 4.201 3.960 0.029 0.000 0.686 433 G C 0.730 175.562 174.900 -0.114 0.000 1.321 433 G CA 0.091 45.022 45.100 -0.281 0.000 0.813 433 G HN 1.289 nan 8.290 nan 0.000 0.599 434 G N -1.188 107.570 108.800 -0.070 0.000 2.141 434 G HA2 0.169 4.146 3.960 0.029 0.000 0.242 434 G HA3 0.169 4.146 3.960 0.029 0.000 0.242 434 G C 1.011 175.931 174.900 0.034 0.000 0.982 434 G CA 1.302 46.411 45.100 0.015 0.000 0.662 434 G HN 2.848 nan 8.290 nan 0.000 0.527 435 T N -0.157 114.387 114.554 -0.016 0.000 2.932 435 T HA 0.447 4.814 4.350 0.029 0.000 0.312 435 T C 0.789 175.533 174.700 0.072 0.000 1.071 435 T CA 0.339 62.416 62.100 -0.038 0.000 1.128 435 T CB 1.225 69.925 68.868 -0.279 0.000 0.984 435 T HN 0.987 nan 8.240 nan 0.000 0.549 436 N N 1.742 120.513 118.700 0.119 0.000 2.405 436 N HA 0.237 4.994 4.740 0.029 0.000 0.269 436 N C 1.369 176.926 175.510 0.079 0.000 1.249 436 N CA -0.737 52.371 53.050 0.098 0.000 0.974 436 N CB 0.088 38.626 38.487 0.085 0.000 1.204 436 N HN 0.798 nan 8.380 nan 0.000 0.565 437 I N -4.053 116.482 120.570 -0.057 0.000 2.700 437 I HA -0.115 4.072 4.170 0.029 0.000 0.261 437 I C 0.667 176.690 176.117 -0.156 0.000 1.219 437 I CA 1.157 62.384 61.300 -0.121 0.000 1.463 437 I CB -0.475 37.414 38.000 -0.186 0.000 1.092 437 I HN 0.421 nan 8.210 nan 0.000 0.452 438 H N -0.700 118.433 119.070 0.106 0.000 2.563 438 H HA 0.038 4.612 4.556 0.030 0.000 0.264 438 H C 1.638 176.999 175.328 0.055 0.000 0.957 438 H CA 0.539 56.623 56.048 0.059 0.000 1.173 438 H CB -0.360 29.430 29.762 0.047 0.000 1.420 438 H HN 0.421 nan 8.280 nan 0.000 0.551 439 Y N 2.053 122.415 120.300 0.104 0.000 1.993 439 Y HA -0.327 4.242 4.550 0.031 0.000 0.267 439 Y C 2.526 178.455 175.900 0.048 0.000 1.155 439 Y CA 1.641 59.789 58.100 0.079 0.000 1.105 439 Y CB -0.664 37.843 38.460 0.079 0.000 0.960 439 Y HN 0.102 nan 8.280 nan 0.000 0.486 440 L N 1.012 122.278 121.223 0.071 0.000 2.034 440 L HA -0.300 4.057 4.340 0.029 0.000 0.217 440 L C 2.178 178.965 176.870 -0.139 0.000 1.077 440 L CA 2.428 57.245 54.840 -0.040 0.000 0.769 440 L CB -1.015 41.056 42.059 0.020 0.000 0.890 440 L HN 0.449 nan 8.230 nan 0.000 0.435 441 E N -1.064 119.077 120.200 -0.097 0.000 2.204 441 E HA -0.229 4.138 4.350 0.029 0.000 0.195 441 E C 2.104 178.640 176.600 -0.105 0.000 0.990 441 E CA 1.123 57.468 56.400 -0.091 0.000 0.821 441 E CB -0.026 29.640 29.700 -0.058 0.000 0.750 441 E HN 0.545 nan 8.360 nan 0.000 0.477 442 K N 0.727 121.033 120.400 -0.157 0.000 2.062 442 K HA -0.110 4.227 4.320 0.029 0.000 0.205 442 K C 2.160 178.636 176.600 -0.206 0.000 1.051 442 K CA 0.763 56.949 56.287 -0.168 0.000 0.941 442 K CB -0.027 32.357 32.500 -0.193 0.000 0.719 442 K HN -0.061 nan 8.250 nan 0.000 0.440 443 K N 1.468 121.669 120.400 -0.331 0.000 2.026 443 K HA -0.105 4.232 4.320 0.029 0.000 0.208 443 K C 1.727 178.257 176.600 -0.118 0.000 1.048 443 K CA 1.169 57.305 56.287 -0.252 0.000 0.929 443 K CB -0.018 32.309 32.500 -0.287 0.000 0.713 443 K HN 0.082 nan 8.250 nan 0.000 0.439 444 L N 0.500 121.664 121.223 -0.099 0.000 2.610 444 L HA 0.095 4.453 4.340 0.029 0.000 0.232 444 L C 0.873 177.732 176.870 -0.019 0.000 1.149 444 L CA 0.407 55.223 54.840 -0.040 0.000 0.872 444 L CB -0.378 41.661 42.059 -0.033 0.000 0.992 444 L HN 0.537 nan 8.230 nan 0.000 0.447 445 G N 1.127 109.902 108.800 -0.041 0.000 2.323 445 G HA2 -0.278 3.700 3.960 0.029 0.000 0.292 445 G HA3 -0.278 3.700 3.960 0.029 0.000 0.292 445 G C 0.136 175.034 174.900 -0.003 0.000 1.040 445 G CA 0.000 45.086 45.100 -0.023 0.000 0.942 445 G HN 0.247 nan 8.290 nan 0.000 0.506 446 L N -0.074 121.145 121.223 -0.007 0.000 2.984 446 L HA 0.368 4.725 4.340 0.029 0.000 0.246 446 L C 1.271 178.140 176.870 -0.001 0.000 1.268 446 L CA -0.099 54.751 54.840 0.016 0.000 1.054 446 L CB 0.235 42.310 42.059 0.026 0.000 1.393 446 L HN 0.387 nan 8.230 nan 0.000 0.532 447 Q N 0.000 119.793 119.800 -0.012 0.000 2.315 447 Q HA 0.000 4.357 4.340 0.029 0.000 0.214 447 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 447 Q CB 0.000 28.723 28.738 -0.025 0.000 1.108 447 Q HN 0.000 nan 8.270 nan 0.000 0.481