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 1lk6_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYX XXXXXXXXXX XXXXXXXXXX NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LNPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.095 176.094 0.002 0.000 1.182 5 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 5 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 6 D N 3.896 124.306 120.400 0.017 0.000 2.389 6 D HA 0.406 5.050 4.640 0.006 0.000 0.256 6 D C 0.992 177.318 176.300 0.043 0.000 1.239 6 D CA -0.412 53.601 54.000 0.022 0.000 0.925 6 D CB 1.489 42.303 40.800 0.023 0.000 1.145 6 D HN 0.494 nan 8.370 nan 0.000 0.542 7 I N 1.560 122.156 120.570 0.044 0.000 2.300 7 I HA -0.381 3.793 4.170 0.006 0.000 0.252 7 I C 2.314 178.473 176.117 0.069 0.000 1.119 7 I CA 0.942 62.296 61.300 0.090 0.000 1.384 7 I CB -0.197 37.831 38.000 0.046 0.000 1.062 7 I HN 0.484 nan 8.210 nan 0.000 0.426 8 c N 0.498 119.117 118.600 0.032 0.000 2.413 8 c HA -0.175 4.398 4.570 0.006 0.000 0.276 8 c C 3.103 177.219 174.090 0.043 0.000 1.248 8 c CA 1.787 58.128 56.329 0.020 0.000 1.742 8 c CB -1.397 41.131 42.510 0.030 0.000 2.017 8 c HN 0.665 nan 8.230 nan 0.000 0.481 9 T N -0.272 114.318 114.554 0.060 0.000 2.939 9 T HA 0.274 4.627 4.350 0.006 0.000 0.254 9 T C 1.062 175.823 174.700 0.102 0.000 1.041 9 T CA 0.773 62.913 62.100 0.068 0.000 1.142 9 T CB -0.478 68.420 68.868 0.050 0.000 0.874 9 T HN 0.523 nan 8.240 nan 0.000 0.452 10 A N 2.134 125.028 122.820 0.123 0.000 2.521 10 A HA 0.354 4.678 4.320 0.006 0.000 0.237 10 A C 0.356 178.087 177.584 0.246 0.000 1.087 10 A CA -0.040 52.085 52.037 0.146 0.000 0.777 10 A CB 0.014 19.089 19.000 0.125 0.000 1.035 10 A HN 0.595 nan 8.150 nan 0.000 0.510 11 K N 0.959 121.443 120.400 0.140 0.000 2.132 11 K HA 0.385 4.708 4.320 0.006 0.000 0.241 11 K C -2.273 174.220 176.600 -0.178 0.000 1.000 11 K CA -1.792 54.572 56.287 0.128 0.000 0.911 11 K CB 0.753 33.285 32.500 0.054 0.000 1.093 11 K HN 0.467 nan 8.250 nan 0.000 0.460 12 P HA -0.049 nan 4.420 nan 0.000 0.262 12 P C -0.391 176.648 177.300 -0.434 0.000 1.647 12 P CA 0.704 63.300 63.100 -0.841 0.000 0.865 12 P CB -0.116 31.344 31.700 -0.399 0.000 1.834 13 R N -1.096 119.210 120.500 -0.322 0.000 2.771 13 R HA 0.121 4.465 4.340 0.006 0.000 0.177 13 R C 0.291 176.502 176.300 -0.149 0.000 0.937 13 R CA -0.212 55.776 56.100 -0.186 0.000 1.536 13 R CB -0.554 29.682 30.300 -0.106 0.000 1.696 13 R HN -0.116 nan 8.270 nan 0.000 0.550 14 D N 2.040 122.362 120.400 -0.131 0.000 2.332 14 D HA 0.128 4.772 4.640 0.006 0.000 0.244 14 D C -0.083 176.163 176.300 -0.089 0.000 1.136 14 D CA 0.518 54.470 54.000 -0.079 0.000 0.884 14 D CB 0.443 41.222 40.800 -0.035 0.000 0.906 14 D HN 0.189 nan 8.370 nan 0.000 0.520 15 I N 2.324 122.805 120.570 -0.148 0.000 2.521 15 I HA 0.121 4.295 4.170 0.006 0.000 0.277 15 I C -2.097 173.939 176.117 -0.136 0.000 1.054 15 I CA -2.329 58.889 61.300 -0.136 0.000 1.117 15 I CB 1.603 39.501 38.000 -0.170 0.000 1.217 15 I HN -0.282 nan 8.210 nan 0.000 0.469 16 P HA 0.050 nan 4.420 nan 0.000 0.246 16 P C 0.218 177.471 177.300 -0.078 0.000 1.675 16 P CA -0.293 62.758 63.100 -0.080 0.000 0.908 16 P CB 0.035 31.699 31.700 -0.061 0.000 1.890 17 M N 1.743 121.287 119.600 -0.095 0.000 2.338 17 M HA -0.082 4.401 4.480 0.006 0.000 0.360 17 M C 0.921 177.187 176.300 -0.057 0.000 1.547 17 M CA 0.948 56.198 55.300 -0.083 0.000 1.001 17 M CB -0.771 31.776 32.600 -0.088 0.000 2.008 17 M HN 0.050 nan 8.290 nan 0.000 0.464 18 N N 3.497 122.170 118.700 -0.046 0.000 2.351 18 N HA 0.266 5.010 4.740 0.006 0.000 0.254 18 N C -2.421 173.082 175.510 -0.011 0.000 1.241 18 N CA -1.172 51.862 53.050 -0.026 0.000 0.883 18 N CB 0.192 38.666 38.487 -0.022 0.000 1.202 18 N HN 0.301 nan 8.380 nan 0.000 0.512 19 P HA -0.133 nan 4.420 nan 0.000 0.261 19 P C 1.096 178.406 177.300 0.016 0.000 1.158 19 P CA 0.413 63.516 63.100 0.004 0.000 0.758 19 P CB 0.533 32.240 31.700 0.011 0.000 0.763 20 M N 2.712 122.323 119.600 0.018 0.000 2.115 20 M HA -0.188 4.296 4.480 0.006 0.000 0.258 20 M C 0.242 176.557 176.300 0.024 0.000 1.071 20 M CA 2.043 57.353 55.300 0.016 0.000 1.100 20 M CB -0.102 32.502 32.600 0.007 0.000 1.292 20 M HN 0.327 nan 8.290 nan 0.000 0.415 21 c N -0.257 118.364 118.600 0.034 0.000 2.423 21 c HA 0.749 5.322 4.570 0.006 0.000 0.378 21 c C 0.223 174.359 174.090 0.077 0.000 1.244 21 c CA -1.185 55.176 56.329 0.052 0.000 1.978 21 c CB 1.121 43.663 42.510 0.053 0.000 2.252 21 c HN 0.504 nan 8.230 nan 0.000 0.526 22 I N -0.771 119.860 120.570 0.102 0.000 3.279 22 I HA 0.607 4.780 4.170 0.006 0.000 0.315 22 I C -1.150 175.097 176.117 0.216 0.000 1.225 22 I CA -0.609 60.772 61.300 0.134 0.000 0.947 22 I CB 2.112 40.164 38.000 0.088 0.000 1.293 22 I HN 0.810 nan 8.210 nan 0.000 0.468 46 R N -0.004 120.482 120.500 -0.025 0.000 2.189 46 R HA 0.115 4.459 4.340 0.006 0.000 0.223 46 R C 1.674 177.987 176.300 0.021 0.000 1.092 46 R CA 1.161 57.262 56.100 0.003 0.000 0.989 46 R CB -0.149 30.138 30.300 -0.023 0.000 0.876 46 R HN 0.350 nan 8.270 nan 0.000 0.457 47 R N 0.070 120.473 120.500 -0.162 0.000 2.062 47 R HA -0.036 4.308 4.340 0.006 0.000 0.229 47 R C 2.223 178.381 176.300 -0.236 0.000 1.128 47 R CA 0.804 56.682 56.100 -0.370 0.000 0.960 47 R CB -0.905 28.729 30.300 -1.111 0.000 0.855 47 R HN -0.034 nan 8.270 nan 0.000 0.432 48 V N -0.038 119.785 119.914 -0.152 0.000 2.250 48 V HA -0.324 3.800 4.120 0.006 0.000 0.253 48 V C 1.878 177.988 176.094 0.028 0.000 1.065 48 V CA 2.119 64.407 62.300 -0.019 0.000 1.039 48 V CB -0.602 31.239 31.823 0.030 0.000 0.647 48 V HN 0.490 nan 8.190 nan 0.000 0.446 49 W N 1.241 122.485 121.300 -0.092 0.000 2.333 49 W HA -0.218 4.445 4.660 0.005 0.000 0.316 49 W C 2.516 178.998 176.519 -0.063 0.000 1.215 49 W CA 2.241 59.545 57.345 -0.067 0.000 1.278 49 W CB -0.380 29.044 29.460 -0.060 0.000 1.154 49 W HN 0.377 nan 8.180 nan 0.000 0.486 50 E N -0.027 120.126 120.200 -0.077 0.000 2.118 50 E HA -0.283 4.070 4.350 0.006 0.000 0.195 50 E C 2.018 178.469 176.600 -0.249 0.000 0.992 50 E CA 1.528 57.767 56.400 -0.269 0.000 0.804 50 E CB -0.804 28.863 29.700 -0.055 0.000 0.741 50 E HN 0.358 nan 8.360 nan 0.000 0.458 51 L N 1.529 122.662 121.223 -0.150 0.000 2.017 51 L HA -0.194 4.150 4.340 0.006 0.000 0.208 51 L C 2.455 179.214 176.870 -0.185 0.000 1.073 51 L CA 2.348 57.124 54.840 -0.107 0.000 0.745 51 L CB -0.746 41.259 42.059 -0.090 0.000 0.894 51 L HN 0.132 nan 8.230 nan 0.000 0.432 52 S N -0.822 114.744 115.700 -0.223 0.000 2.370 52 S HA -0.281 4.193 4.470 0.006 0.000 0.226 52 S C 2.044 176.483 174.600 -0.268 0.000 1.033 52 S CA 1.509 59.581 58.200 -0.215 0.000 1.011 52 S CB -0.693 62.400 63.200 -0.179 0.000 0.852 52 S HN 0.567 nan 8.310 nan 0.000 0.457 53 K N 1.687 121.818 120.400 -0.448 0.000 2.009 53 K HA -0.033 4.291 4.320 0.006 0.000 0.210 53 K C 2.651 179.106 176.600 -0.240 0.000 1.049 53 K CA 1.340 57.364 56.287 -0.438 0.000 0.929 53 K CB -0.762 31.351 32.500 -0.646 0.000 0.714 53 K HN 0.507 nan 8.250 nan 0.000 0.440 54 A N 2.262 124.961 122.820 -0.201 0.000 1.892 54 A HA -0.266 4.058 4.320 0.006 0.000 0.218 54 A C 1.823 179.351 177.584 -0.093 0.000 1.188 54 A CA 2.117 54.078 52.037 -0.128 0.000 0.631 54 A CB -0.691 18.261 19.000 -0.079 0.000 0.822 54 A HN 0.291 nan 8.150 nan 0.000 0.447 55 N N 0.252 118.904 118.700 -0.079 0.000 2.120 55 N HA -0.095 4.649 4.740 0.006 0.000 0.188 55 N C 1.952 177.505 175.510 0.071 0.000 1.024 55 N CA 1.617 54.681 53.050 0.023 0.000 0.852 55 N CB -0.627 37.861 38.487 0.001 0.000 1.003 55 N HN 0.467 nan 8.380 nan 0.000 0.424 56 S N 1.032 116.726 115.700 -0.010 0.000 2.368 56 S HA -0.016 4.458 4.470 0.006 0.000 0.225 56 S C 1.888 176.485 174.600 -0.005 0.000 1.030 56 S CA 0.700 58.897 58.200 -0.005 0.000 0.999 56 S CB 0.065 63.229 63.200 -0.060 0.000 0.844 56 S HN 0.284 nan 8.310 nan 0.000 0.459 57 R N 0.708 121.191 120.500 -0.028 0.000 2.080 57 R HA -0.080 4.264 4.340 0.006 0.000 0.236 57 R C 1.988 178.292 176.300 0.006 0.000 1.137 57 R CA 1.347 57.432 56.100 -0.025 0.000 0.943 57 R CB -1.291 28.986 30.300 -0.040 0.000 0.846 57 R HN 0.485 nan 8.270 nan 0.000 0.431 58 F N 1.648 121.543 119.950 -0.092 0.000 2.065 58 F HA -0.264 4.267 4.527 0.007 0.000 0.298 58 F C 2.337 178.146 175.800 0.016 0.000 1.112 58 F CA 1.417 59.354 58.000 -0.105 0.000 1.212 58 F CB -0.758 38.145 39.000 -0.163 0.000 0.975 58 F HN 0.090 nan 8.300 nan 0.000 0.476 59 A N 0.186 122.933 122.820 -0.123 0.000 1.869 59 A HA -0.338 3.986 4.320 0.006 0.000 0.218 59 A C 2.324 179.891 177.584 -0.029 0.000 1.203 59 A CA 3.586 55.569 52.037 -0.091 0.000 0.638 59 A CB -1.773 17.267 19.000 0.065 0.000 0.831 59 A HN 0.588 nan 8.150 nan 0.000 0.450 60 T N -2.839 111.720 114.554 0.009 0.000 2.708 60 T HA -0.160 4.194 4.350 0.006 0.000 0.266 60 T C 1.835 176.556 174.700 0.035 0.000 1.037 60 T CA 2.160 64.294 62.100 0.058 0.000 1.146 60 T CB -1.283 67.602 68.868 0.028 0.000 0.865 60 T HN 0.414 nan 8.240 nan 0.000 0.435 61 T N 1.664 116.194 114.554 -0.040 0.000 2.595 61 T HA -0.042 4.312 4.350 0.006 0.000 0.264 61 T C 1.412 176.108 174.700 -0.007 0.000 1.058 61 T CA 1.489 63.574 62.100 -0.025 0.000 1.166 61 T CB -0.832 68.024 68.868 -0.020 0.000 0.863 61 T HN 0.369 nan 8.240 nan 0.000 0.415 62 F N 0.832 120.560 119.950 -0.371 0.000 2.154 62 F HA -0.195 4.336 4.527 0.006 0.000 0.301 62 F C 2.193 177.878 175.800 -0.191 0.000 1.087 62 F CA 1.126 58.876 58.000 -0.417 0.000 1.274 62 F CB -0.541 37.872 39.000 -0.978 0.000 1.009 62 F HN 0.196 nan 8.300 nan 0.000 0.485 63 Y N 1.145 121.343 120.300 -0.170 0.000 2.128 63 Y HA -0.284 4.270 4.550 0.007 0.000 0.284 63 Y C 2.527 178.284 175.900 -0.239 0.000 1.154 63 Y CA 2.306 60.303 58.100 -0.172 0.000 1.149 63 Y CB -0.833 37.587 38.460 -0.066 0.000 0.976 63 Y HN 0.202 nan 8.280 nan 0.000 0.505 64 Q N -1.027 118.670 119.800 -0.172 0.000 2.061 64 Q HA -0.256 4.088 4.340 0.006 0.000 0.204 64 Q C 2.168 177.909 176.000 -0.433 0.000 0.984 64 Q CA 1.764 57.399 55.803 -0.280 0.000 0.846 64 Q CB -0.370 28.244 28.738 -0.206 0.000 0.902 64 Q HN 0.653 nan 8.270 nan 0.000 0.421 65 H N 0.064 118.890 119.070 -0.407 0.000 2.293 65 H HA -0.126 4.434 4.556 0.007 0.000 0.300 65 H C 2.252 177.258 175.328 -0.536 0.000 1.082 65 H CA 1.384 57.176 56.048 -0.427 0.000 1.308 65 H CB -0.277 29.216 29.762 -0.448 0.000 1.375 65 H HN 0.167 nan 8.280 nan 0.000 0.495 66 L N 1.285 122.120 121.223 -0.647 0.000 2.129 66 L HA -0.142 4.201 4.340 0.006 0.000 0.212 66 L C 2.532 179.048 176.870 -0.589 0.000 1.087 66 L CA 1.719 56.130 54.840 -0.716 0.000 0.757 66 L CB -0.738 40.775 42.059 -0.910 0.000 0.896 66 L HN 0.196 nan 8.230 nan 0.000 0.434 67 A N -0.918 121.510 122.820 -0.654 0.000 1.933 67 A HA -0.216 4.108 4.320 0.006 0.000 0.218 67 A C 1.996 179.374 177.584 -0.342 0.000 1.175 67 A CA 1.863 53.560 52.037 -0.566 0.000 0.628 67 A CB -0.722 17.910 19.000 -0.614 0.000 0.814 67 A HN 0.564 nan 8.150 nan 0.000 0.444 68 D N 0.311 120.530 120.400 -0.302 0.000 2.117 68 D HA -0.106 4.538 4.640 0.006 0.000 0.198 68 D C 2.022 178.216 176.300 -0.178 0.000 0.982 68 D CA 1.668 55.543 54.000 -0.209 0.000 0.828 68 D CB -0.441 40.246 40.800 -0.188 0.000 0.967 68 D HN 0.574 nan 8.370 nan 0.000 0.464 69 S N -0.198 115.379 115.700 -0.206 0.000 2.803 69 S HA 0.043 4.517 4.470 0.006 0.000 0.226 69 S C 0.584 175.093 174.600 -0.153 0.000 0.962 69 S CA 0.070 58.171 58.200 -0.165 0.000 0.968 69 S CB -0.048 63.045 63.200 -0.179 0.000 0.786 69 S HN 0.057 nan 8.310 nan 0.000 0.527 70 K N 0.967 121.270 120.400 -0.160 0.000 2.509 70 K HA 0.302 4.626 4.320 0.006 0.000 0.266 70 K C -1.199 175.344 176.600 -0.095 0.000 0.987 70 K CA -0.860 55.351 56.287 -0.127 0.000 0.868 70 K CB 0.979 33.380 32.500 -0.165 0.000 1.421 70 K HN 0.103 nan 8.250 nan 0.000 0.444 71 N N 1.677 120.340 118.700 -0.062 0.000 2.442 71 N HA -0.023 4.720 4.740 0.006 0.000 0.265 71 N C -0.118 175.363 175.510 -0.049 0.000 1.138 71 N CA 0.382 53.407 53.050 -0.043 0.000 0.956 71 N CB 1.015 39.492 38.487 -0.017 0.000 1.067 71 N HN 0.448 nan 8.380 nan 0.000 0.474 72 D N 2.068 122.440 120.400 -0.046 0.000 2.292 72 D HA -0.169 4.475 4.640 0.006 0.000 0.205 72 D C 0.303 176.586 176.300 -0.028 0.000 0.994 72 D CA 1.291 55.268 54.000 -0.038 0.000 0.897 72 D CB 0.166 40.951 40.800 -0.025 0.000 0.907 72 D HN 0.546 nan 8.370 nan 0.000 0.467 73 N N 0.630 119.314 118.700 -0.027 0.000 2.238 73 N HA 0.025 4.769 4.740 0.006 0.000 0.222 73 N C -0.495 174.985 175.510 -0.050 0.000 1.133 73 N CA 0.022 53.055 53.050 -0.028 0.000 0.854 73 N CB 0.718 39.195 38.487 -0.016 0.000 1.041 73 N HN 0.170 nan 8.380 nan 0.000 0.510 74 D N 0.384 120.755 120.400 -0.048 0.000 2.326 74 D HA 0.220 4.864 4.640 0.006 0.000 0.251 74 D C 0.185 176.449 176.300 -0.060 0.000 1.023 74 D CA -0.264 53.707 54.000 -0.049 0.000 0.966 74 D CB 1.079 41.868 40.800 -0.018 0.000 1.156 74 D HN -0.080 nan 8.370 nan 0.000 0.494 75 N N 0.344 119.011 118.700 -0.054 0.000 2.482 75 N HA 0.334 5.078 4.740 0.006 0.000 0.260 75 N C -0.308 175.225 175.510 0.038 0.000 1.236 75 N CA 0.206 53.235 53.050 -0.035 0.000 0.938 75 N CB 0.944 39.417 38.487 -0.023 0.000 1.128 75 N HN 0.315 nan 8.380 nan 0.000 0.448 76 I N 1.459 122.089 120.570 0.100 0.000 2.611 76 I HA 0.287 4.460 4.170 0.006 0.000 0.287 76 I C -1.444 174.900 176.117 0.379 0.000 1.184 76 I CA -0.567 60.840 61.300 0.179 0.000 1.054 76 I CB 1.386 39.455 38.000 0.114 0.000 1.257 76 I HN 0.244 nan 8.210 nan 0.000 0.435 77 F N 8.596 128.694 119.950 0.247 0.000 2.601 77 F HA 0.836 5.367 4.527 0.006 0.000 0.309 77 F C -1.694 174.395 175.800 0.480 0.000 1.089 77 F CA -0.855 57.327 58.000 0.303 0.000 0.940 77 F CB 1.989 41.134 39.000 0.242 0.000 1.273 77 F HN 0.239 nan 8.300 nan 0.000 0.450 78 L N 2.007 123.090 121.223 -0.233 0.000 2.921 78 L HA 0.411 4.755 4.340 0.006 0.000 0.261 78 L C -1.653 175.182 176.870 -0.058 0.000 0.984 78 L CA -0.640 54.262 54.840 0.103 0.000 0.951 78 L CB 0.721 42.983 42.059 0.337 0.000 1.495 78 L HN 0.591 nan 8.230 nan 0.000 0.414 79 S N 1.576 117.352 115.700 0.126 0.000 2.423 79 S HA 0.669 5.142 4.470 0.006 0.000 0.317 79 S C -1.936 172.629 174.600 -0.060 0.000 1.065 79 S CA -1.023 57.077 58.200 -0.167 0.000 1.111 79 S CB 1.016 63.992 63.200 -0.373 0.000 0.968 79 S HN 0.635 nan 8.310 nan 0.000 0.474 80 P HA -0.070 nan 4.420 nan 0.000 0.217 80 P C 1.548 178.942 177.300 0.157 0.000 1.150 80 P CA 0.333 63.479 63.100 0.076 0.000 0.832 80 P CB 0.106 31.874 31.700 0.113 0.000 0.787 81 L N -0.378 120.902 121.223 0.096 0.000 2.042 81 L HA -0.173 4.171 4.340 0.006 0.000 0.210 81 L C 2.473 179.460 176.870 0.196 0.000 1.076 81 L CA 1.975 56.915 54.840 0.167 0.000 0.749 81 L CB -1.586 40.537 42.059 0.106 0.000 0.893 81 L HN -0.058 nan 8.230 nan 0.000 0.432 82 S N -0.568 115.209 115.700 0.128 0.000 2.359 82 S HA -0.231 4.242 4.470 0.006 0.000 0.223 82 S C 2.044 176.759 174.600 0.192 0.000 1.039 82 S CA 1.990 60.289 58.200 0.166 0.000 1.042 82 S CB -0.447 62.906 63.200 0.254 0.000 0.915 82 S HN 0.474 nan 8.310 nan 0.000 0.439 83 I N 0.962 121.661 120.570 0.214 0.000 2.142 83 I HA -0.142 4.031 4.170 0.006 0.000 0.240 83 I C 2.703 178.959 176.117 0.232 0.000 1.078 83 I CA 1.354 62.808 61.300 0.256 0.000 1.343 83 I CB -0.701 37.398 38.000 0.165 0.000 1.046 83 I HN 0.268 nan 8.210 nan 0.000 0.405 84 S N 0.171 116.010 115.700 0.233 0.000 2.402 84 S HA -0.187 4.287 4.470 0.006 0.000 0.233 84 S C 2.021 176.751 174.600 0.216 0.000 1.030 84 S CA 1.972 60.298 58.200 0.211 0.000 1.003 84 S CB -0.370 63.075 63.200 0.409 0.000 0.813 84 S HN 0.505 nan 8.310 nan 0.000 0.477 85 T N 1.965 116.594 114.554 0.126 0.000 2.732 85 T HA 0.059 4.413 4.350 0.006 0.000 0.261 85 T C 2.214 176.692 174.700 -0.371 0.000 1.040 85 T CA 1.074 63.026 62.100 -0.246 0.000 1.145 85 T CB -0.571 68.215 68.868 -0.137 0.000 0.866 85 T HN 0.442 nan 8.240 nan 0.000 0.427 86 A N 1.028 123.732 122.820 -0.195 0.000 1.917 86 A HA -0.082 4.242 4.320 0.006 0.000 0.219 86 A C 1.956 179.286 177.584 -0.423 0.000 1.182 86 A CA 1.611 53.483 52.037 -0.276 0.000 0.633 86 A CB -1.093 17.808 19.000 -0.165 0.000 0.819 86 A HN 0.487 nan 8.150 nan 0.000 0.448 87 F N -0.356 119.365 119.950 -0.382 0.000 2.456 87 F HA 0.104 4.635 4.527 0.007 0.000 0.298 87 F C 2.591 178.129 175.800 -0.438 0.000 1.104 87 F CA 0.611 58.311 58.000 -0.501 0.000 1.435 87 F CB -0.150 38.257 39.000 -0.989 0.000 1.078 87 F HN 0.269 nan 8.300 nan 0.000 0.546 88 A N -0.184 122.471 122.820 -0.274 0.000 1.872 88 A HA -0.158 4.166 4.320 0.006 0.000 0.214 88 A C 2.223 179.673 177.584 -0.222 0.000 1.187 88 A CA 1.283 53.183 52.037 -0.229 0.000 0.614 88 A CB -0.652 18.104 19.000 -0.406 0.000 0.826 88 A HN 0.283 nan 8.150 nan 0.000 0.442 89 M N -0.619 118.650 119.600 -0.552 0.000 2.082 89 M HA -0.174 4.310 4.480 0.006 0.000 0.258 89 M C 2.291 178.476 176.300 -0.193 0.000 1.069 89 M CA 2.187 57.173 55.300 -0.523 0.000 1.102 89 M CB -0.614 31.624 32.600 -0.604 0.000 1.336 89 M HN 0.456 nan 8.290 nan 0.000 0.404 90 T N -0.076 114.340 114.554 -0.230 0.000 2.684 90 T HA -0.209 4.145 4.350 0.006 0.000 0.267 90 T C 1.702 176.365 174.700 -0.062 0.000 1.036 90 T CA 1.407 63.407 62.100 -0.167 0.000 1.148 90 T CB -0.265 68.420 68.868 -0.304 0.000 0.863 90 T HN 0.354 nan 8.240 nan 0.000 0.436 91 K N 0.678 121.071 120.400 -0.011 0.000 2.218 91 K HA -0.060 4.264 4.320 0.006 0.000 0.205 91 K C 2.058 178.706 176.600 0.080 0.000 1.046 91 K CA 0.877 57.208 56.287 0.074 0.000 0.933 91 K CB -0.349 32.243 32.500 0.154 0.000 0.728 91 K HN 0.352 nan 8.250 nan 0.000 0.454 92 L N -0.693 120.558 121.223 0.045 0.000 2.261 92 L HA -0.152 4.192 4.340 0.006 0.000 0.216 92 L C 1.963 178.869 176.870 0.061 0.000 1.114 92 L CA 1.306 56.141 54.840 -0.008 0.000 0.777 92 L CB -0.257 41.827 42.059 0.042 0.000 0.910 92 L HN 0.342 nan 8.230 nan 0.000 0.440 93 G N -1.222 107.563 108.800 -0.025 0.000 3.324 93 G HA2 0.442 4.406 3.960 0.006 0.000 0.251 93 G HA3 0.442 4.406 3.960 0.006 0.000 0.251 93 G C 0.449 175.282 174.900 -0.112 0.000 1.072 93 G CA 0.354 45.344 45.100 -0.183 0.000 0.787 93 G HN 0.284 nan 8.290 nan 0.000 0.537 94 A N -0.659 122.136 122.820 -0.042 0.000 2.287 94 A HA 0.712 5.036 4.320 0.006 0.000 0.273 94 A C -0.313 177.271 177.584 0.000 0.000 1.091 94 A CA -0.324 51.701 52.037 -0.020 0.000 0.817 94 A CB 0.933 19.940 19.000 0.011 0.000 1.069 94 A HN 0.684 nan 8.150 nan 0.000 0.492 95 c N 0.127 118.729 118.600 0.003 0.000 3.307 95 c HA 0.578 5.152 4.570 0.006 0.000 0.333 95 c C 0.442 174.541 174.090 0.015 0.000 1.291 95 c CA 0.074 56.413 56.329 0.016 0.000 1.273 95 c CB -0.253 42.261 42.510 0.006 0.000 1.580 95 c HN 1.280 nan 8.230 nan 0.000 0.481 96 N N 1.288 120.005 118.700 0.029 0.000 1.258 96 N HA -0.231 4.513 4.740 0.006 0.000 0.141 96 N C -0.096 175.415 175.510 0.001 0.000 0.811 96 N CA 1.571 54.637 53.050 0.027 0.000 0.960 96 N CB -0.921 37.578 38.487 0.020 0.000 1.205 96 N HN 0.851 nan 8.380 nan 0.000 0.527 97 D N 0.110 120.508 120.400 -0.003 0.000 2.103 97 D HA -0.038 4.606 4.640 0.006 0.000 0.199 97 D C 1.796 178.077 176.300 -0.032 0.000 0.978 97 D CA 1.978 55.964 54.000 -0.024 0.000 0.829 97 D CB -0.869 39.930 40.800 -0.002 0.000 0.981 97 D HN 0.435 nan 8.370 nan 0.000 0.464 98 T N 1.803 116.351 114.554 -0.009 0.000 2.649 98 T HA -0.223 4.131 4.350 0.006 0.000 0.268 98 T C 1.885 176.583 174.700 -0.004 0.000 1.036 98 T CA 1.196 63.295 62.100 -0.002 0.000 1.157 98 T CB -0.457 68.408 68.868 -0.005 0.000 0.861 98 T HN 0.054 nan 8.240 nan 0.000 0.445 99 L N 0.959 122.175 121.223 -0.012 0.000 2.017 99 L HA -0.057 4.286 4.340 0.006 0.000 0.208 99 L C 2.529 179.352 176.870 -0.079 0.000 1.073 99 L CA 1.941 56.779 54.840 -0.003 0.000 0.745 99 L CB -1.041 41.033 42.059 0.025 0.000 0.894 99 L HN 0.288 nan 8.230 nan 0.000 0.432 100 Q N -0.894 118.771 119.800 -0.225 0.000 2.002 100 Q HA -0.279 4.065 4.340 0.006 0.000 0.204 100 Q C 2.278 178.130 176.000 -0.246 0.000 0.988 100 Q CA 2.264 57.752 55.803 -0.525 0.000 0.843 100 Q CB -0.250 28.112 28.738 -0.627 0.000 0.908 100 Q HN 0.665 nan 8.270 nan 0.000 0.420 101 Q N 0.127 119.859 119.800 -0.114 0.000 2.118 101 Q HA -0.239 4.105 4.340 0.006 0.000 0.211 101 Q C 2.296 178.327 176.000 0.051 0.000 0.998 101 Q CA 1.923 57.714 55.803 -0.021 0.000 0.872 101 Q CB -0.282 28.465 28.738 0.016 0.000 0.925 101 Q HN 0.444 nan 8.270 nan 0.000 0.414 102 L N -0.208 121.073 121.223 0.098 0.000 1.971 102 L HA -0.282 4.062 4.340 0.006 0.000 0.215 102 L C 2.620 179.669 176.870 0.299 0.000 1.072 102 L CA 1.101 56.084 54.840 0.237 0.000 0.758 102 L CB -0.498 41.680 42.059 0.198 0.000 0.889 102 L HN 0.399 nan 8.230 nan 0.000 0.433 103 M N -0.432 119.305 119.600 0.229 0.000 2.088 103 M HA -0.281 4.202 4.480 0.006 0.000 0.256 103 M C 2.186 178.611 176.300 0.210 0.000 1.071 103 M CA 2.048 57.535 55.300 0.312 0.000 1.097 103 M CB -1.034 31.684 32.600 0.197 0.000 1.315 103 M HN 0.343 nan 8.290 nan 0.000 0.406 104 E N -0.586 119.672 120.200 0.097 0.000 2.028 104 E HA -0.118 4.235 4.350 0.006 0.000 0.190 104 E C 2.052 178.652 176.600 -0.001 0.000 0.984 104 E CA 1.184 57.617 56.400 0.054 0.000 0.800 104 E CB -0.297 29.421 29.700 0.030 0.000 0.758 104 E HN 0.256 nan 8.360 nan 0.000 0.448 105 V N 0.915 120.823 119.914 -0.011 0.000 2.317 105 V HA -0.252 3.871 4.120 0.006 0.000 0.251 105 V C 1.568 177.457 176.094 -0.341 0.000 1.065 105 V CA 1.716 63.933 62.300 -0.139 0.000 1.049 105 V CB -0.484 31.244 31.823 -0.158 0.000 0.651 105 V HN 0.201 nan 8.190 nan 0.000 0.450 106 F N 0.038 119.793 119.950 -0.325 0.000 2.660 106 F HA 0.305 4.836 4.527 0.006 0.000 0.297 106 F C 1.173 176.533 175.800 -0.735 0.000 1.132 106 F CA -0.540 57.047 58.000 -0.689 0.000 1.372 106 F CB -0.138 38.226 39.000 -1.060 0.000 1.003 106 F HN -0.019 nan 8.300 nan 0.000 0.524 107 K N -1.272 118.987 120.400 -0.236 0.000 3.013 107 K HA -0.270 4.054 4.320 0.006 0.000 0.275 107 K C 0.776 177.322 176.600 -0.090 0.000 1.086 107 K CA 0.724 56.932 56.287 -0.131 0.000 0.814 107 K CB -2.711 29.731 32.500 -0.096 0.000 1.212 107 K HN 0.329 nan 8.250 nan 0.000 0.468 108 F N 1.726 121.742 119.950 0.111 0.000 2.293 108 F HA -0.117 4.414 4.527 0.007 0.000 0.300 108 F C 2.172 178.036 175.800 0.107 0.000 1.086 108 F CA 1.499 59.554 58.000 0.092 0.000 1.375 108 F CB -0.429 38.629 39.000 0.097 0.000 1.045 108 F HN 0.208 nan 8.300 nan 0.000 0.516 109 D N -0.258 120.310 120.400 0.280 0.000 2.403 109 D HA -0.150 4.493 4.640 0.006 0.000 0.227 109 D C 1.589 177.989 176.300 0.166 0.000 0.995 109 D CA 1.462 55.613 54.000 0.252 0.000 0.928 109 D CB -1.002 39.955 40.800 0.261 0.000 0.887 109 D HN 0.418 nan 8.370 nan 0.000 0.529 110 T N -2.367 112.261 114.554 0.123 0.000 3.023 110 T HA 0.203 4.557 4.350 0.006 0.000 0.253 110 T C 1.095 175.835 174.700 0.067 0.000 1.038 110 T CA -0.544 61.600 62.100 0.072 0.000 0.962 110 T CB -0.310 68.573 68.868 0.025 0.000 1.018 110 T HN 0.068 nan 8.240 nan 0.000 0.521 111 I N 4.079 124.711 120.570 0.103 0.000 2.598 111 I HA 0.088 4.262 4.170 0.006 0.000 0.284 111 I C 0.736 176.903 176.117 0.084 0.000 1.140 111 I CA -0.375 60.976 61.300 0.085 0.000 1.420 111 I CB 0.750 38.836 38.000 0.144 0.000 1.387 111 I HN 0.325 nan 8.210 nan 0.000 0.553 112 S N 5.955 121.683 115.700 0.048 0.000 2.858 112 S HA 0.114 4.588 4.470 0.006 0.000 0.328 112 S C 0.009 174.651 174.600 0.070 0.000 1.149 112 S CA -0.171 58.059 58.200 0.050 0.000 1.421 112 S CB -0.110 63.110 63.200 0.034 0.000 1.461 112 S HN 0.621 nan 8.310 nan 0.000 0.587 113 E N 1.644 121.905 120.200 0.102 0.000 2.310 113 E HA 0.483 4.837 4.350 0.006 0.000 0.243 113 E C -0.052 176.604 176.600 0.093 0.000 1.027 113 E CA -0.690 55.794 56.400 0.140 0.000 0.887 113 E CB 1.068 30.911 29.700 0.238 0.000 1.828 113 E HN 0.478 nan 8.360 nan 0.000 0.456 114 K N -0.673 119.781 120.400 0.090 0.000 2.620 114 K HA 0.141 4.465 4.320 0.006 0.000 0.208 114 K C -0.283 176.333 176.600 0.028 0.000 1.582 114 K CA 0.319 56.626 56.287 0.034 0.000 1.083 114 K CB 1.217 33.731 32.500 0.023 0.000 1.420 114 K HN 0.494 nan 8.250 nan 0.000 0.582 115 T N -0.409 114.189 114.554 0.073 0.000 2.779 115 T HA 0.163 4.516 4.350 0.006 0.000 0.280 115 T C 0.964 175.739 174.700 0.125 0.000 0.987 115 T CA -0.594 61.554 62.100 0.080 0.000 0.966 115 T CB 1.738 70.643 68.868 0.061 0.000 0.933 115 T HN 0.045 nan 8.240 nan 0.000 0.442 116 S N 1.713 117.511 115.700 0.164 0.000 2.493 116 S HA -0.194 4.280 4.470 0.006 0.000 0.243 116 S C 1.192 175.899 174.600 0.178 0.000 0.991 116 S CA 1.249 59.567 58.200 0.196 0.000 0.957 116 S CB -0.765 62.593 63.200 0.263 0.000 0.756 116 S HN 0.939 nan 8.310 nan 0.000 0.521 117 D N -0.126 120.374 120.400 0.167 0.000 2.305 117 D HA 0.001 4.645 4.640 0.006 0.000 0.206 117 D C 1.963 178.341 176.300 0.129 0.000 0.974 117 D CA 0.137 54.259 54.000 0.204 0.000 0.871 117 D CB -0.264 40.591 40.800 0.093 0.000 0.947 117 D HN 0.151 nan 8.370 nan 0.000 0.516 118 Q N 0.164 119.991 119.800 0.044 0.000 2.245 118 Q HA 0.022 4.365 4.340 0.006 0.000 0.201 118 Q C 2.085 177.935 176.000 -0.250 0.000 0.955 118 Q CA 0.139 55.884 55.803 -0.098 0.000 0.870 118 Q CB -0.203 28.541 28.738 0.010 0.000 0.945 118 Q HN 0.421 nan 8.270 nan 0.000 0.461 119 I N 1.218 121.762 120.570 -0.043 0.000 2.118 119 I HA -0.329 3.845 4.170 0.006 0.000 0.241 119 I C 1.814 177.853 176.117 -0.131 0.000 1.070 119 I CA 1.816 63.103 61.300 -0.022 0.000 1.327 119 I CB -0.580 37.302 38.000 -0.197 0.000 1.034 119 I HN 0.285 nan 8.210 nan 0.000 0.405 120 H N -0.298 118.746 119.070 -0.044 0.000 2.394 120 H HA -0.262 4.298 4.556 0.007 0.000 0.297 120 H C 2.123 177.407 175.328 -0.073 0.000 1.113 120 H CA 2.068 58.108 56.048 -0.012 0.000 1.277 120 H CB -0.880 28.851 29.762 -0.052 0.000 1.370 120 H HN 0.421 nan 8.280 nan 0.000 0.506 121 F N 1.567 121.361 119.950 -0.259 0.000 2.102 121 F HA -0.216 4.315 4.527 0.007 0.000 0.298 121 F C 2.002 177.674 175.800 -0.213 0.000 1.105 121 F CA 1.075 58.866 58.000 -0.349 0.000 1.239 121 F CB -0.672 37.986 39.000 -0.570 0.000 0.991 121 F HN -0.094 nan 8.300 nan 0.000 0.474 122 F N -0.838 119.077 119.950 -0.059 0.000 2.186 122 F HA -0.106 4.425 4.527 0.007 0.000 0.299 122 F C 2.484 178.258 175.800 -0.044 0.000 1.090 122 F CA 0.938 58.849 58.000 -0.147 0.000 1.307 122 F CB -1.784 37.205 39.000 -0.019 0.000 1.019 122 F HN 0.015 nan 8.300 nan 0.000 0.489 123 F N 0.632 120.619 119.950 0.063 0.000 2.095 123 F HA -0.238 4.294 4.527 0.007 0.000 0.298 123 F C 2.516 178.339 175.800 0.038 0.000 1.104 123 F CA 1.078 59.131 58.000 0.088 0.000 1.232 123 F CB -0.294 38.778 39.000 0.121 0.000 0.987 123 F HN -0.018 nan 8.300 nan 0.000 0.475 124 A N 0.256 123.162 122.820 0.142 0.000 1.892 124 A HA -0.244 4.080 4.320 0.006 0.000 0.218 124 A C 2.204 179.794 177.584 0.010 0.000 1.188 124 A CA 1.784 53.813 52.037 -0.013 0.000 0.631 124 A CB -0.621 18.277 19.000 -0.170 0.000 0.822 124 A HN 0.237 nan 8.150 nan 0.000 0.447 125 K N -0.623 119.717 120.400 -0.100 0.000 1.991 125 K HA -0.175 4.149 4.320 0.006 0.000 0.212 125 K C 1.961 178.575 176.600 0.023 0.000 1.049 125 K CA 1.508 57.740 56.287 -0.091 0.000 0.932 125 K CB -1.193 31.209 32.500 -0.163 0.000 0.717 125 K HN 0.476 nan 8.250 nan 0.000 0.441 126 L N 2.261 123.525 121.223 0.067 0.000 2.051 126 L HA -0.251 4.093 4.340 0.006 0.000 0.214 126 L C 1.404 178.329 176.870 0.091 0.000 1.076 126 L CA 1.966 56.848 54.840 0.070 0.000 0.758 126 L CB -1.049 41.044 42.059 0.056 0.000 0.890 126 L HN 0.172 nan 8.230 nan 0.000 0.433 127 N N -1.280 117.556 118.700 0.226 0.000 2.188 127 N HA -0.157 4.587 4.740 0.006 0.000 0.184 127 N C 1.893 177.552 175.510 0.248 0.000 1.018 127 N CA 1.644 54.894 53.050 0.333 0.000 0.858 127 N CB -0.684 38.119 38.487 0.527 0.000 0.989 127 N HN 0.439 nan 8.380 nan 0.000 0.426 128 c N 0.840 119.534 118.600 0.157 0.000 2.413 128 c HA -0.072 4.502 4.570 0.006 0.000 0.277 128 c C 2.490 176.621 174.090 0.069 0.000 1.228 128 c CA 0.697 57.094 56.329 0.114 0.000 1.731 128 c CB -0.940 41.602 42.510 0.053 0.000 2.042 128 c HN 0.493 nan 8.230 nan 0.000 0.468 129 R N 0.335 120.850 120.500 0.024 0.000 2.120 129 R HA -0.055 4.289 4.340 0.006 0.000 0.234 129 R C 2.049 178.313 176.300 -0.059 0.000 1.123 129 R CA 1.084 57.183 56.100 -0.003 0.000 0.975 129 R CB -0.369 29.931 30.300 -0.000 0.000 0.866 129 R HN 0.552 nan 8.270 nan 0.000 0.446 130 L N -0.817 120.297 121.223 -0.183 0.000 2.044 130 L HA -0.130 4.214 4.340 0.006 0.000 0.205 130 L C 1.352 177.979 176.870 -0.404 0.000 1.075 130 L CA 1.340 55.927 54.840 -0.423 0.000 0.747 130 L CB -0.142 41.400 42.059 -0.862 0.000 0.903 130 L HN 0.209 nan 8.230 nan 0.000 0.435 131 Y N -1.627 118.730 120.300 0.095 0.000 2.467 131 Y HA 0.279 4.833 4.550 0.007 0.000 0.250 131 Y C 0.561 176.505 175.900 0.072 0.000 1.155 131 Y CA -0.435 57.720 58.100 0.092 0.000 1.249 131 Y CB 0.221 38.738 38.460 0.096 0.000 1.146 131 Y HN -0.101 nan 8.280 nan 0.000 0.524 132 R N 1.677 122.271 120.500 0.157 0.000 2.402 132 R HA 0.397 4.741 4.340 0.006 0.000 0.290 132 R C -0.768 175.577 176.300 0.075 0.000 1.321 132 R CA -0.241 55.927 56.100 0.114 0.000 1.283 132 R CB 0.830 31.192 30.300 0.103 0.000 1.111 132 R HN 0.102 nan 8.270 nan 0.000 0.578 133 K N 0.080 120.523 120.400 0.072 0.000 2.435 133 K HA 0.489 4.813 4.320 0.006 0.000 0.251 133 K C 0.256 176.889 176.600 0.054 0.000 0.954 133 K CA -0.528 55.792 56.287 0.057 0.000 0.820 133 K CB 2.211 34.744 32.500 0.055 0.000 1.292 133 K HN 0.303 nan 8.250 nan 0.000 0.436 134 A N 1.888 124.735 122.820 0.045 0.000 1.874 134 A HA -0.087 4.237 4.320 0.006 0.000 0.214 134 A C 1.492 179.100 177.584 0.041 0.000 1.189 134 A CA 1.369 53.430 52.037 0.040 0.000 0.615 134 A CB -0.687 18.334 19.000 0.034 0.000 0.830 134 A HN 0.893 nan 8.150 nan 0.000 0.443 135 N N 0.046 118.772 118.700 0.043 0.000 2.005 135 N HA -0.179 4.565 4.740 0.006 0.000 0.199 135 N C -0.401 175.139 175.510 0.050 0.000 1.054 135 N CA 1.286 54.363 53.050 0.046 0.000 0.864 135 N CB -0.328 38.189 38.487 0.050 0.000 1.063 135 N HN 0.343 nan 8.380 nan 0.000 0.428 136 K N 0.067 120.503 120.400 0.059 0.000 3.393 136 K HA -0.130 4.193 4.320 0.006 0.000 0.272 136 K C 0.554 177.189 176.600 0.058 0.000 1.004 136 K CA 0.263 56.588 56.287 0.064 0.000 0.764 136 K CB -1.404 31.131 32.500 0.058 0.000 1.373 136 K HN 0.428 nan 8.250 nan 0.000 0.458 137 S N -1.562 114.180 115.700 0.069 0.000 2.461 137 S HA 0.002 4.476 4.470 0.006 0.000 0.228 137 S C 0.683 175.318 174.600 0.059 0.000 1.005 137 S CA 0.336 58.577 58.200 0.069 0.000 0.942 137 S CB 0.397 63.651 63.200 0.090 0.000 0.776 137 S HN 0.311 nan 8.310 nan 0.000 0.514 138 S N 0.410 116.147 115.700 0.061 0.000 2.569 138 S HA 0.502 4.976 4.470 0.006 0.000 0.280 138 S C -0.983 173.636 174.600 0.031 0.000 1.111 138 S CA -0.969 57.236 58.200 0.008 0.000 0.887 138 S CB 2.078 65.307 63.200 0.049 0.000 1.095 138 S HN 0.328 nan 8.310 nan 0.000 0.476 139 K N 1.490 121.871 120.400 -0.032 0.000 2.258 139 K HA 0.543 4.867 4.320 0.006 0.000 0.284 139 K C -1.615 175.091 176.600 0.177 0.000 1.051 139 K CA -0.504 55.822 56.287 0.064 0.000 0.923 139 K CB 0.429 32.965 32.500 0.060 0.000 1.046 139 K HN 0.453 nan 8.250 nan 0.000 0.474 140 L N 6.407 127.790 121.223 0.265 0.000 2.568 140 L HA 0.293 4.637 4.340 0.006 0.000 0.262 140 L C -1.300 175.844 176.870 0.457 0.000 0.980 140 L CA -0.598 54.478 54.840 0.394 0.000 0.882 140 L CB 1.479 43.752 42.059 0.356 0.000 1.198 140 L HN 0.421 nan 8.230 nan 0.000 0.425 141 V N 0.982 121.140 119.914 0.407 0.000 3.019 141 V HA 0.984 5.108 4.120 0.006 0.000 0.317 141 V C -0.419 175.670 176.094 -0.008 0.000 1.094 141 V CA -0.346 62.090 62.300 0.226 0.000 1.000 141 V CB 1.942 33.827 31.823 0.104 0.000 1.060 141 V HN 0.731 nan 8.190 nan 0.000 0.443 142 S N 0.711 116.171 115.700 -0.401 0.000 2.588 142 S HA 0.926 5.400 4.470 0.006 0.000 0.275 142 S C -0.840 173.604 174.600 -0.261 0.000 1.130 142 S CA 0.019 57.925 58.200 -0.489 0.000 0.855 142 S CB 1.737 64.236 63.200 -1.169 0.000 1.116 142 S HN 2.319 nan 8.310 nan 0.000 0.472 143 A N 3.290 126.039 122.820 -0.117 0.000 2.485 143 A HA 0.661 4.985 4.320 0.006 0.000 0.285 143 A C -1.417 176.304 177.584 0.228 0.000 1.045 143 A CA -0.809 51.253 52.037 0.042 0.000 0.792 143 A CB 0.919 19.899 19.000 -0.033 0.000 1.307 143 A HN 0.684 nan 8.150 nan 0.000 0.406 144 N N 1.320 120.136 118.700 0.194 0.000 2.370 144 N HA 0.763 5.506 4.740 0.006 0.000 0.303 144 N C -0.384 175.127 175.510 0.002 0.000 1.103 144 N CA -0.418 52.706 53.050 0.124 0.000 0.848 144 N CB 2.311 40.793 38.487 -0.009 0.000 1.235 144 N HN 0.825 nan 8.380 nan 0.000 0.496 145 R N 0.956 121.343 120.500 -0.188 0.000 2.663 145 R HA 0.515 4.859 4.340 0.006 0.000 0.267 145 R C -1.718 174.266 176.300 -0.527 0.000 1.038 145 R CA -0.566 55.178 56.100 -0.594 0.000 0.886 145 R CB 1.271 30.730 30.300 -1.401 0.000 1.249 145 R HN 0.446 nan 8.270 nan 0.000 0.463 146 L N 2.705 123.501 121.223 -0.712 0.000 2.342 146 L HA 0.640 4.984 4.340 0.006 0.000 0.271 146 L C -1.108 175.279 176.870 -0.804 0.000 1.008 146 L CA -0.883 53.660 54.840 -0.496 0.000 0.818 146 L CB 1.740 43.564 42.059 -0.392 0.000 1.296 146 L HN 0.536 nan 8.230 nan 0.000 0.427 147 F N 0.392 120.226 119.950 -0.193 0.000 2.716 147 F HA 0.560 5.090 4.527 0.006 0.000 0.354 147 F C 0.565 176.377 175.800 0.019 0.000 1.168 147 F CA -0.624 57.302 58.000 -0.122 0.000 1.045 147 F CB 1.761 40.755 39.000 -0.009 0.000 1.311 147 F HN 0.388 nan 8.300 nan 0.000 0.477 148 G N 0.977 109.751 108.800 -0.042 0.000 2.417 148 G HA2 0.389 4.353 3.960 0.006 0.000 0.334 148 G HA3 0.389 4.353 3.960 0.006 0.000 0.334 148 G C -1.286 173.721 174.900 0.178 0.000 1.150 148 G CA -0.665 44.505 45.100 0.117 0.000 0.923 148 G HN 0.491 nan 8.290 nan 0.000 0.485 149 D N -0.146 120.501 120.400 0.412 0.000 2.488 149 D HA -0.029 4.615 4.640 0.006 0.000 0.238 149 D C 1.507 177.864 176.300 0.095 0.000 1.138 149 D CA 0.164 54.239 54.000 0.124 0.000 0.873 149 D CB 0.960 41.929 40.800 0.282 0.000 1.183 149 D HN 0.372 nan 8.370 nan 0.000 0.458 150 K N 1.416 121.788 120.400 -0.046 0.000 2.281 150 K HA -0.150 4.174 4.320 0.006 0.000 0.203 150 K C 1.336 177.945 176.600 0.016 0.000 1.046 150 K CA 1.283 57.559 56.287 -0.019 0.000 0.938 150 K CB 0.002 32.465 32.500 -0.062 0.000 0.737 150 K HN 0.469 nan 8.250 nan 0.000 0.458 151 S N -0.388 115.322 115.700 0.016 0.000 2.556 151 S HA 0.177 4.651 4.470 0.006 0.000 0.216 151 S C 0.485 175.069 174.600 -0.028 0.000 0.970 151 S CA -0.631 57.568 58.200 -0.001 0.000 0.912 151 S CB 0.002 63.201 63.200 -0.003 0.000 0.790 151 S HN 0.083 nan 8.310 nan 0.000 0.504 152 L N 1.180 122.377 121.223 -0.045 0.000 2.334 152 L HA 0.518 4.862 4.340 0.006 0.000 0.270 152 L C -0.263 176.475 176.870 -0.220 0.000 1.018 152 L CA -0.762 53.957 54.840 -0.203 0.000 0.811 152 L CB 1.766 43.569 42.059 -0.426 0.000 1.271 152 L HN -0.024 nan 8.230 nan 0.000 0.443 153 T N 1.517 115.910 114.554 -0.267 0.000 2.743 153 T HA 0.460 4.814 4.350 0.006 0.000 0.292 153 T C -0.528 174.020 174.700 -0.253 0.000 0.972 153 T CA -0.185 61.827 62.100 -0.148 0.000 0.967 153 T CB 0.019 68.837 68.868 -0.083 0.000 0.926 153 T HN 0.085 nan 8.240 nan 0.000 0.459 154 F N 3.326 123.284 119.950 0.014 0.000 2.404 154 F HA 0.310 4.841 4.527 0.007 0.000 0.345 154 F C 1.154 176.984 175.800 0.051 0.000 1.110 154 F CA -1.116 56.909 58.000 0.042 0.000 1.130 154 F CB 0.678 39.725 39.000 0.080 0.000 1.129 154 F HN 0.423 nan 8.300 nan 0.000 0.500 155 N N 3.122 121.944 118.700 0.204 0.000 2.219 155 N HA -0.131 4.613 4.740 0.006 0.000 0.263 155 N C 0.916 176.530 175.510 0.173 0.000 1.269 155 N CA 0.596 53.734 53.050 0.146 0.000 0.831 155 N CB 0.532 39.095 38.487 0.126 0.000 1.059 155 N HN 0.750 nan 8.380 nan 0.000 0.475 156 E N 1.556 121.811 120.200 0.092 0.000 2.072 156 E HA -0.163 4.191 4.350 0.006 0.000 0.191 156 E C 1.500 178.116 176.600 0.026 0.000 0.985 156 E CA 1.920 58.351 56.400 0.051 0.000 0.801 156 E CB -0.083 29.630 29.700 0.022 0.000 0.750 156 E HN 0.895 nan 8.360 nan 0.000 0.452 157 T N -0.425 114.151 114.554 0.037 0.000 2.708 157 T HA -0.264 4.090 4.350 0.006 0.000 0.266 157 T C 2.009 176.714 174.700 0.008 0.000 1.037 157 T CA 1.332 63.439 62.100 0.011 0.000 1.146 157 T CB -0.829 68.049 68.868 0.016 0.000 0.865 157 T HN 0.238 nan 8.240 nan 0.000 0.435 158 Y N 1.990 122.269 120.300 -0.034 0.000 2.151 158 Y HA -0.187 4.367 4.550 0.006 0.000 0.284 158 Y C 2.779 178.644 175.900 -0.059 0.000 1.166 158 Y CA 1.865 59.938 58.100 -0.045 0.000 1.163 158 Y CB -0.698 37.752 38.460 -0.016 0.000 0.974 158 Y HN 0.327 nan 8.280 nan 0.000 0.511 159 Q N -0.105 119.563 119.800 -0.219 0.000 2.050 159 Q HA -0.207 4.137 4.340 0.006 0.000 0.202 159 Q C 1.782 177.607 176.000 -0.291 0.000 0.980 159 Q CA 1.929 57.537 55.803 -0.325 0.000 0.840 159 Q CB -0.132 28.539 28.738 -0.111 0.000 0.898 159 Q HN 0.556 nan 8.270 nan 0.000 0.424 160 D N 0.192 120.484 120.400 -0.179 0.000 2.144 160 D HA -0.134 4.510 4.640 0.006 0.000 0.200 160 D C 1.925 178.122 176.300 -0.171 0.000 0.978 160 D CA 0.933 54.844 54.000 -0.149 0.000 0.833 160 D CB -0.078 40.665 40.800 -0.096 0.000 0.961 160 D HN 0.353 nan 8.370 nan 0.000 0.470 161 I N 1.100 121.556 120.570 -0.189 0.000 2.179 161 I HA -0.241 3.933 4.170 0.006 0.000 0.242 161 I C 2.351 178.334 176.117 -0.224 0.000 1.088 161 I CA 0.790 61.975 61.300 -0.191 0.000 1.357 161 I CB -0.061 37.835 38.000 -0.173 0.000 1.051 161 I HN -0.095 nan 8.210 nan 0.000 0.409 162 S N 0.074 115.595 115.700 -0.298 0.000 2.368 162 S HA -0.267 4.207 4.470 0.006 0.000 0.225 162 S C 1.877 176.377 174.600 -0.167 0.000 1.030 162 S CA 1.556 59.619 58.200 -0.227 0.000 0.999 162 S CB -0.336 62.584 63.200 -0.466 0.000 0.844 162 S HN 0.480 nan 8.310 nan 0.000 0.459 163 E N 0.345 120.420 120.200 -0.209 0.000 2.268 163 E HA -0.093 4.261 4.350 0.006 0.000 0.195 163 E C 1.877 178.399 176.600 -0.129 0.000 0.995 163 E CA 0.504 56.807 56.400 -0.161 0.000 0.836 163 E CB -0.023 29.578 29.700 -0.165 0.000 0.763 163 E HN 0.354 nan 8.360 nan 0.000 0.491 164 L N -0.355 120.781 121.223 -0.144 0.000 2.121 164 L HA -0.005 4.339 4.340 0.006 0.000 0.200 164 L C 2.116 178.885 176.870 -0.169 0.000 1.077 164 L CA 1.086 55.849 54.840 -0.128 0.000 0.766 164 L CB -0.379 41.611 42.059 -0.116 0.000 0.931 164 L HN -0.007 nan 8.230 nan 0.000 0.452 165 V N -0.864 118.887 119.914 -0.273 0.000 2.626 165 V HA -0.213 3.911 4.120 0.006 0.000 0.252 165 V C 1.176 176.824 176.094 -0.742 0.000 1.067 165 V CA 1.549 63.538 62.300 -0.517 0.000 1.081 165 V CB -0.672 30.723 31.823 -0.713 0.000 0.686 165 V HN 0.521 nan 8.190 nan 0.000 0.468 166 Y N -0.693 119.537 120.300 -0.117 0.000 2.675 166 Y HA 0.507 5.061 4.550 0.006 0.000 0.248 166 Y C 1.716 177.548 175.900 -0.114 0.000 1.161 166 Y CA -0.248 57.776 58.100 -0.127 0.000 1.203 166 Y CB 0.232 38.585 38.460 -0.179 0.000 1.262 166 Y HN 0.202 nan 8.280 nan 0.000 0.544 167 G N 1.276 110.066 108.800 -0.017 0.000 2.296 167 G HA2 -0.227 3.737 3.960 0.006 0.000 0.282 167 G HA3 -0.227 3.737 3.960 0.006 0.000 0.282 167 G C 0.304 175.173 174.900 -0.052 0.000 1.014 167 G CA 0.377 45.458 45.100 -0.033 0.000 0.812 167 G HN 0.648 nan 8.290 nan 0.000 0.508 168 A N 0.121 122.894 122.820 -0.078 0.000 2.478 168 A HA 0.635 4.959 4.320 0.006 0.000 0.327 168 A C 0.725 178.160 177.584 -0.248 0.000 1.431 168 A CA -0.221 51.718 52.037 -0.165 0.000 1.014 168 A CB 0.375 19.275 19.000 -0.167 0.000 1.143 168 A HN 0.415 nan 8.150 nan 0.000 0.532 169 K N 1.241 121.476 120.400 -0.275 0.000 2.168 169 K HA 0.375 4.698 4.320 0.006 0.000 0.258 169 K C -0.625 175.724 176.600 -0.419 0.000 1.010 169 K CA -0.293 55.815 56.287 -0.298 0.000 0.929 169 K CB 1.098 33.445 32.500 -0.254 0.000 0.998 169 K HN 0.661 nan 8.250 nan 0.000 0.479 170 L N 2.612 123.603 121.223 -0.387 0.000 2.265 170 L HA 0.180 4.524 4.340 0.006 0.000 0.289 170 L C -0.452 176.153 176.870 -0.443 0.000 1.033 170 L CA -0.307 54.258 54.840 -0.459 0.000 0.814 170 L CB 1.118 42.928 42.059 -0.415 0.000 1.203 170 L HN 0.592 nan 8.230 nan 0.000 0.423 171 Q N 6.442 125.889 119.800 -0.589 0.000 2.241 171 Q HA 0.467 4.811 4.340 0.006 0.000 0.254 171 Q C -2.442 173.383 176.000 -0.292 0.000 0.917 171 Q CA -1.816 53.712 55.803 -0.457 0.000 0.919 171 Q CB 1.893 30.263 28.738 -0.612 0.000 1.237 171 Q HN 0.358 nan 8.270 nan 0.000 0.434 172 P HA 0.265 nan 4.420 nan 0.000 0.278 172 P C -1.408 175.793 177.300 -0.164 0.000 1.238 172 P CA -0.357 62.658 63.100 -0.142 0.000 0.794 172 P CB 0.793 32.435 31.700 -0.096 0.000 0.955 173 L N 2.073 123.125 121.223 -0.285 0.000 2.505 173 L HA 0.344 4.688 4.340 0.006 0.000 0.259 173 L C -0.852 175.674 176.870 -0.573 0.000 0.952 173 L CA -0.451 54.124 54.840 -0.441 0.000 0.840 173 L CB 2.156 43.845 42.059 -0.617 0.000 1.358 173 L HN 0.213 nan 8.230 nan 0.000 0.409 174 D N 1.644 121.829 120.400 -0.359 0.000 2.441 174 D HA 0.231 4.875 4.640 0.006 0.000 0.221 174 D C 0.457 176.668 176.300 -0.149 0.000 1.156 174 D CA 0.131 54.001 54.000 -0.217 0.000 0.896 174 D CB 0.328 41.074 40.800 -0.091 0.000 1.028 174 D HN 0.250 nan 8.370 nan 0.000 0.509 175 F N 2.220 122.187 119.950 0.028 0.000 2.219 175 F HA 0.136 4.666 4.527 0.006 0.000 0.294 175 F C 2.230 178.039 175.800 0.015 0.000 1.086 175 F CA 0.432 58.444 58.000 0.019 0.000 1.330 175 F CB -0.313 38.703 39.000 0.027 0.000 1.047 175 F HN 0.293 nan 8.300 nan 0.000 0.495 176 K N 0.039 120.553 120.400 0.190 0.000 2.044 176 K HA -0.218 4.106 4.320 0.006 0.000 0.210 176 K C 1.684 178.329 176.600 0.074 0.000 1.049 176 K CA 1.990 58.343 56.287 0.110 0.000 0.927 176 K CB -0.156 32.388 32.500 0.074 0.000 0.713 176 K HN 0.108 nan 8.250 nan 0.000 0.443 177 E N -0.631 119.602 120.200 0.054 0.000 2.389 177 E HA 0.106 4.460 4.350 0.006 0.000 0.199 177 E C -0.340 176.282 176.600 0.037 0.000 0.978 177 E CA 0.235 56.657 56.400 0.036 0.000 0.912 177 E CB 0.693 30.404 29.700 0.018 0.000 0.907 177 E HN 0.137 nan 8.360 nan 0.000 0.494 178 N N -0.135 118.593 118.700 0.047 0.000 2.687 178 N HA 0.192 4.936 4.740 0.006 0.000 0.275 178 N C -0.037 175.524 175.510 0.085 0.000 1.789 178 N CA 0.335 53.411 53.050 0.045 0.000 0.806 178 N CB 1.485 39.980 38.487 0.014 0.000 1.256 178 N HN 0.017 nan 8.380 nan 0.000 0.500 179 A N 0.654 123.546 122.820 0.120 0.000 1.892 179 A HA -0.193 4.131 4.320 0.006 0.000 0.218 179 A C 2.060 179.707 177.584 0.106 0.000 1.188 179 A CA 1.316 53.454 52.037 0.168 0.000 0.631 179 A CB -0.054 19.009 19.000 0.104 0.000 0.822 179 A HN 0.245 nan 8.150 nan 0.000 0.447 180 E N -0.165 120.067 120.200 0.054 0.000 2.031 180 E HA -0.192 4.162 4.350 0.006 0.000 0.193 180 E C 2.350 178.962 176.600 0.020 0.000 0.994 180 E CA 1.324 57.739 56.400 0.025 0.000 0.800 180 E CB -0.425 29.284 29.700 0.014 0.000 0.752 180 E HN 0.662 nan 8.360 nan 0.000 0.447 181 Q N 0.343 120.155 119.800 0.020 0.000 2.077 181 Q HA -0.146 4.198 4.340 0.006 0.000 0.206 181 Q C 2.366 178.370 176.000 0.006 0.000 0.989 181 Q CA 1.450 57.257 55.803 0.007 0.000 0.853 181 Q CB -0.512 28.227 28.738 0.001 0.000 0.907 181 Q HN 0.137 nan 8.270 nan 0.000 0.418 182 S N 0.716 116.433 115.700 0.029 0.000 2.359 182 S HA -0.208 4.265 4.470 0.006 0.000 0.222 182 S C 1.912 176.526 174.600 0.023 0.000 1.038 182 S CA 1.559 59.785 58.200 0.044 0.000 1.051 182 S CB -0.313 63.002 63.200 0.193 0.000 0.944 182 S HN 0.348 nan 8.310 nan 0.000 0.433 183 R N 1.230 121.749 120.500 0.032 0.000 2.097 183 R HA -0.148 4.196 4.340 0.006 0.000 0.236 183 R C 2.416 178.675 176.300 -0.067 0.000 1.135 183 R CA 1.592 57.666 56.100 -0.043 0.000 0.934 183 R CB -0.665 29.603 30.300 -0.052 0.000 0.846 183 R HN 0.376 nan 8.270 nan 0.000 0.431 184 A N 0.469 123.265 122.820 -0.039 0.000 1.986 184 A HA -0.184 4.140 4.320 0.006 0.000 0.220 184 A C 2.306 179.872 177.584 -0.029 0.000 1.171 184 A CA 1.902 53.919 52.037 -0.033 0.000 0.640 184 A CB -0.791 18.199 19.000 -0.018 0.000 0.811 184 A HN 0.621 nan 8.150 nan 0.000 0.451 185 A N 0.231 123.031 122.820 -0.034 0.000 1.845 185 A HA -0.078 4.246 4.320 0.006 0.000 0.215 185 A C 2.114 179.672 177.584 -0.044 0.000 1.195 185 A CA 1.521 53.547 52.037 -0.019 0.000 0.616 185 A CB -0.687 18.301 19.000 -0.020 0.000 0.832 185 A HN 0.502 nan 8.150 nan 0.000 0.443 186 I N 0.133 120.574 120.570 -0.214 0.000 2.127 186 I HA -0.316 3.858 4.170 0.006 0.000 0.241 186 I C 2.174 178.241 176.117 -0.083 0.000 1.075 186 I CA 1.511 62.581 61.300 -0.385 0.000 1.334 186 I CB -0.757 36.852 38.000 -0.651 0.000 1.040 186 I HN 0.299 nan 8.210 nan 0.000 0.405 187 N N 1.044 119.693 118.700 -0.084 0.000 2.132 187 N HA -0.247 4.497 4.740 0.006 0.000 0.191 187 N C 1.790 177.300 175.510 -0.001 0.000 1.015 187 N CA 1.425 54.451 53.050 -0.041 0.000 0.864 187 N CB -0.377 38.076 38.487 -0.057 0.000 1.006 187 N HN 0.412 nan 8.380 nan 0.000 0.430 188 K N -0.619 119.792 120.400 0.018 0.000 2.103 188 K HA -0.131 4.193 4.320 0.006 0.000 0.204 188 K C 1.966 178.606 176.600 0.068 0.000 1.052 188 K CA 0.601 56.905 56.287 0.027 0.000 0.945 188 K CB -0.163 32.357 32.500 0.033 0.000 0.722 188 K HN 0.213 nan 8.250 nan 0.000 0.443 189 W N 1.038 122.325 121.300 -0.022 0.000 2.402 189 W HA -0.170 4.494 4.660 0.007 0.000 0.286 189 W C 1.444 177.973 176.519 0.017 0.000 1.221 189 W CA 0.885 58.250 57.345 0.033 0.000 1.257 189 W CB -0.063 29.491 29.460 0.156 0.000 1.120 189 W HN -0.222 nan 8.180 nan 0.000 0.551 190 V N -0.062 119.907 119.914 0.091 0.000 2.427 190 V HA -0.275 3.849 4.120 0.006 0.000 0.248 190 V C 2.470 178.457 176.094 -0.178 0.000 1.051 190 V CA 2.043 64.303 62.300 -0.067 0.000 1.048 190 V CB -1.118 30.736 31.823 0.052 0.000 0.666 190 V HN 0.298 nan 8.190 nan 0.000 0.456 191 S N 0.430 116.056 115.700 -0.125 0.000 2.368 191 S HA -0.236 4.237 4.470 0.006 0.000 0.225 191 S C 1.967 176.446 174.600 -0.203 0.000 1.030 191 S CA 1.808 59.928 58.200 -0.133 0.000 0.999 191 S CB -0.472 62.676 63.200 -0.087 0.000 0.844 191 S HN 0.642 nan 8.310 nan 0.000 0.459 192 N N 0.696 119.241 118.700 -0.258 0.000 2.223 192 N HA -0.030 4.714 4.740 0.006 0.000 0.185 192 N C 1.274 176.552 175.510 -0.387 0.000 1.016 192 N CA 0.865 53.734 53.050 -0.301 0.000 0.863 192 N CB -0.108 38.198 38.487 -0.302 0.000 0.983 192 N HN 0.363 nan 8.380 nan 0.000 0.429 193 K N 0.189 120.290 120.400 -0.498 0.000 2.459 193 K HA 0.056 4.380 4.320 0.006 0.000 0.193 193 K C 1.141 177.566 176.600 -0.291 0.000 1.030 193 K CA 0.536 56.546 56.287 -0.462 0.000 1.026 193 K CB 0.048 32.168 32.500 -0.632 0.000 0.809 193 K HN 0.295 nan 8.250 nan 0.000 0.504 194 T N -1.122 113.293 114.554 -0.231 0.000 3.296 194 T HA 0.154 4.508 4.350 0.006 0.000 0.285 194 T C -0.229 174.379 174.700 -0.154 0.000 1.014 194 T CA -0.431 61.634 62.100 -0.059 0.000 0.920 194 T CB 0.162 69.034 68.868 0.006 0.000 1.143 194 T HN -0.039 nan 8.240 nan 0.000 0.522 195 E N 1.105 121.094 120.200 -0.352 0.000 2.328 195 E HA -0.247 4.106 4.350 0.006 0.000 0.233 195 E C 1.245 177.731 176.600 -0.190 0.000 1.219 195 E CA 1.077 57.294 56.400 -0.305 0.000 0.717 195 E CB -2.211 27.271 29.700 -0.365 0.000 1.210 195 E HN 1.218 nan 8.360 nan 0.000 0.381 196 G N -0.351 108.344 108.800 -0.174 0.000 2.166 196 G HA2 -0.444 3.520 3.960 0.006 0.000 0.260 196 G HA3 -0.444 3.520 3.960 0.006 0.000 0.260 196 G C 1.026 175.822 174.900 -0.174 0.000 0.986 196 G CA 0.982 45.996 45.100 -0.142 0.000 0.683 196 G HN 0.324 nan 8.290 nan 0.000 0.527 197 R N -0.437 119.914 120.500 -0.249 0.000 2.100 197 R HA 0.291 4.635 4.340 0.006 0.000 0.220 197 R C 1.337 177.484 176.300 -0.255 0.000 1.091 197 R CA 0.738 56.542 56.100 -0.494 0.000 0.986 197 R CB 0.105 29.869 30.300 -0.894 0.000 0.888 197 R HN 0.426 nan 8.270 nan 0.000 0.444 198 I N 1.003 121.501 120.570 -0.121 0.000 2.337 198 I HA 0.120 4.294 4.170 0.006 0.000 0.285 198 I C 1.087 177.180 176.117 -0.039 0.000 1.041 198 I CA 0.121 61.402 61.300 -0.031 0.000 1.199 198 I CB 0.891 38.890 38.000 -0.002 0.000 1.370 198 I HN 0.160 nan 8.210 nan 0.000 0.470 199 T N 2.549 117.090 114.554 -0.021 0.000 3.246 199 T HA 0.037 4.391 4.350 0.006 0.000 0.231 199 T C 0.848 175.532 174.700 -0.026 0.000 0.986 199 T CA 0.518 62.602 62.100 -0.026 0.000 1.340 199 T CB 0.077 68.934 68.868 -0.018 0.000 1.063 199 T HN 0.471 nan 8.240 nan 0.000 0.427 200 D N 2.173 122.561 120.400 -0.019 0.000 2.934 200 D HA 0.127 4.771 4.640 0.006 0.000 0.237 200 D C 1.685 177.950 176.300 -0.058 0.000 1.158 200 D CA -0.076 53.900 54.000 -0.040 0.000 0.971 200 D CB 0.168 40.950 40.800 -0.030 0.000 1.123 200 D HN 0.336 nan 8.370 nan 0.000 0.467 201 V N 0.576 120.456 119.914 -0.057 0.000 2.324 201 V HA -0.186 3.938 4.120 0.006 0.000 0.250 201 V C 1.544 177.551 176.094 -0.145 0.000 1.060 201 V CA 1.081 63.345 62.300 -0.060 0.000 1.042 201 V CB -0.444 31.359 31.823 -0.034 0.000 0.650 201 V HN 0.379 nan 8.190 nan 0.000 0.450 202 I N 1.871 122.309 120.570 -0.219 0.000 2.312 202 I HA 0.325 4.498 4.170 0.006 0.000 0.290 202 I C -2.323 173.539 176.117 -0.425 0.000 1.008 202 I CA -2.120 58.912 61.300 -0.446 0.000 1.226 202 I CB 1.314 39.114 38.000 -0.333 0.000 1.371 202 I HN 0.079 nan 8.210 nan 0.000 0.468 203 P HA -0.019 nan 4.420 nan 0.000 0.271 203 P C 0.734 177.898 177.300 -0.226 0.000 1.233 203 P CA -0.044 62.862 63.100 -0.325 0.000 0.795 203 P CB 0.514 32.028 31.700 -0.310 0.000 0.936 204 S N 0.918 116.549 115.700 -0.115 0.000 2.482 204 S HA -0.253 4.220 4.470 0.006 0.000 0.226 204 S C 1.121 175.685 174.600 -0.060 0.000 1.048 204 S CA 1.605 59.762 58.200 -0.071 0.000 1.158 204 S CB -1.534 61.646 63.200 -0.033 0.000 1.130 204 S HN 0.458 nan 8.310 nan 0.000 0.413 205 E N 1.888 122.071 120.200 -0.028 0.000 2.382 205 E HA 0.450 4.804 4.350 0.006 0.000 0.190 205 E C 1.495 178.095 176.600 0.000 0.000 1.125 205 E CA 0.446 56.843 56.400 -0.006 0.000 0.929 205 E CB -0.561 29.149 29.700 0.017 0.000 1.053 205 E HN 0.629 nan 8.360 nan 0.000 0.475 206 A N 0.217 123.013 122.820 -0.040 0.000 2.014 206 A HA 0.039 4.363 4.320 0.006 0.000 0.218 206 A C 0.899 178.472 177.584 -0.018 0.000 1.163 206 A CA 0.529 52.564 52.037 -0.004 0.000 0.652 206 A CB 0.098 18.998 19.000 -0.166 0.000 0.808 206 A HN 0.220 nan 8.150 nan 0.000 0.449 207 I N 1.045 121.576 120.570 -0.065 0.000 2.404 207 I HA 0.316 4.490 4.170 0.006 0.000 0.293 207 I C -0.783 175.303 176.117 -0.053 0.000 0.992 207 I CA -0.779 60.457 61.300 -0.107 0.000 1.149 207 I CB 1.824 39.742 38.000 -0.135 0.000 1.315 207 I HN 0.456 nan 8.210 nan 0.000 0.446 208 N N 3.071 121.732 118.700 -0.064 0.000 2.774 208 N HA 0.268 5.012 4.740 0.006 0.000 0.264 208 N C 0.126 175.648 175.510 0.020 0.000 1.415 208 N CA -0.853 52.196 53.050 -0.001 0.000 0.815 208 N CB 0.594 39.088 38.487 0.012 0.000 1.514 208 N HN 0.339 nan 8.380 nan 0.000 0.523 209 E N 0.031 120.264 120.200 0.056 0.000 2.236 209 E HA -0.184 4.170 4.350 0.006 0.000 0.205 209 E C 1.200 177.843 176.600 0.072 0.000 1.028 209 E CA 1.732 58.179 56.400 0.079 0.000 0.827 209 E CB -0.547 29.188 29.700 0.059 0.000 0.735 209 E HN 0.589 nan 8.360 nan 0.000 0.470 210 L N 0.448 121.692 121.223 0.034 0.000 2.418 210 L HA 0.038 4.381 4.340 0.006 0.000 0.218 210 L C 0.509 177.360 176.870 -0.033 0.000 1.125 210 L CA 0.211 55.064 54.840 0.021 0.000 0.835 210 L CB -0.494 41.585 42.059 0.033 0.000 0.953 210 L HN -0.028 nan 8.230 nan 0.000 0.454 211 T N 0.399 114.881 114.554 -0.119 0.000 2.822 211 T HA -0.007 4.347 4.350 0.006 0.000 0.288 211 T C 1.259 175.842 174.700 -0.196 0.000 0.991 211 T CA -0.020 61.877 62.100 -0.337 0.000 1.176 211 T CB 1.728 70.128 68.868 -0.781 0.000 0.951 211 T HN -0.086 nan 8.240 nan 0.000 0.526 212 V N 3.684 123.533 119.914 -0.110 0.000 2.672 212 V HA 0.318 4.442 4.120 0.006 0.000 0.242 212 V C 0.323 176.606 176.094 0.315 0.000 1.059 212 V CA 0.541 62.919 62.300 0.128 0.000 1.081 212 V CB -0.009 31.844 31.823 0.050 0.000 0.752 212 V HN 0.653 nan 8.190 nan 0.000 0.472 213 L N -0.979 120.303 121.223 0.097 0.000 2.582 213 L HA 0.632 4.976 4.340 0.006 0.000 0.257 213 L C -1.625 175.253 176.870 0.012 0.000 0.974 213 L CA -0.324 54.621 54.840 0.175 0.000 0.851 213 L CB 2.342 44.502 42.059 0.169 0.000 1.424 213 L HN -0.182 nan 8.230 nan 0.000 0.412 214 V N 4.586 124.569 119.914 0.116 0.000 2.447 214 V HA 0.467 4.591 4.120 0.006 0.000 0.292 214 V C -0.643 175.521 176.094 0.117 0.000 1.021 214 V CA -0.432 61.909 62.300 0.068 0.000 0.850 214 V CB 1.404 33.261 31.823 0.057 0.000 1.005 214 V HN 0.569 nan 8.190 nan 0.000 0.426 215 L N 5.809 127.031 121.223 -0.002 0.000 2.305 215 L HA 0.657 5.001 4.340 0.006 0.000 0.281 215 L C -0.113 176.748 176.870 -0.015 0.000 1.085 215 L CA 0.052 54.865 54.840 -0.045 0.000 0.813 215 L CB 1.372 43.340 42.059 -0.151 0.000 1.157 215 L HN 0.369 nan 8.230 nan 0.000 0.436 216 V N 2.364 122.298 119.914 0.034 0.000 2.789 216 V HA 0.548 4.672 4.120 0.006 0.000 0.311 216 V C -0.645 175.505 176.094 0.093 0.000 1.073 216 V CA -0.754 61.608 62.300 0.103 0.000 0.921 216 V CB 2.275 34.260 31.823 0.270 0.000 1.009 216 V HN 0.848 nan 8.190 nan 0.000 0.426 217 N N 1.475 120.232 118.700 0.095 0.000 2.265 217 N HA 0.836 5.580 4.740 0.006 0.000 0.300 217 N C -0.934 174.646 175.510 0.116 0.000 1.148 217 N CA -0.135 52.964 53.050 0.082 0.000 0.772 217 N CB 2.521 41.020 38.487 0.020 0.000 1.434 217 N HN 0.899 nan 8.380 nan 0.000 0.481 218 T N 0.016 114.625 114.554 0.091 0.000 2.956 218 T HA 0.641 4.995 4.350 0.006 0.000 0.312 218 T C -0.762 173.966 174.700 0.047 0.000 1.151 218 T CA -0.707 61.428 62.100 0.059 0.000 1.024 218 T CB 0.475 69.342 68.868 -0.002 0.000 1.140 218 T HN 0.388 nan 8.240 nan 0.000 0.473 219 I N 2.066 122.701 120.570 0.108 0.000 2.686 219 I HA 0.559 4.733 4.170 0.006 0.000 0.295 219 I C -1.678 174.642 176.117 0.338 0.000 1.114 219 I CA -1.187 60.219 61.300 0.178 0.000 1.038 219 I CB 2.648 40.730 38.000 0.137 0.000 1.238 219 I HN 0.816 nan 8.210 nan 0.000 0.420 220 Y N 6.197 126.644 120.300 0.245 0.000 2.421 220 Y HA 0.635 5.190 4.550 0.007 0.000 0.339 220 Y C -1.780 174.326 175.900 0.344 0.000 0.996 220 Y CA -0.873 57.379 58.100 0.252 0.000 1.046 220 Y CB 1.855 40.358 38.460 0.071 0.000 1.226 220 Y HN 0.461 nan 8.280 nan 0.000 0.445 221 F N 5.831 125.502 119.950 -0.465 0.000 2.599 221 F HA 0.754 5.285 4.527 0.006 0.000 0.311 221 F C -1.807 173.671 175.800 -0.537 0.000 1.076 221 F CA -0.879 56.948 58.000 -0.289 0.000 0.937 221 F CB 1.881 40.831 39.000 -0.085 0.000 1.282 221 F HN 0.466 nan 8.300 nan 0.000 0.460 222 K N 3.236 122.638 120.400 -1.664 0.000 2.592 222 K HA 0.556 4.880 4.320 0.006 0.000 0.265 222 K C -1.642 174.109 176.600 -1.415 0.000 1.006 222 K CA -0.481 54.967 56.287 -1.398 0.000 0.907 222 K CB 1.266 33.466 32.500 -0.500 0.000 1.309 222 K HN 1.058 nan 8.250 nan 0.000 0.452 223 G N 3.291 111.196 108.800 -1.492 0.000 2.563 223 G HA2 0.605 4.569 3.960 0.006 0.000 0.302 223 G HA3 0.605 4.569 3.960 0.006 0.000 0.302 223 G C -1.298 173.476 174.900 -0.210 0.000 1.301 223 G CA -0.823 43.829 45.100 -0.748 0.000 0.965 223 G HN 0.402 nan 8.290 nan 0.000 0.480 224 L N 0.482 121.737 121.223 0.053 0.000 2.334 224 L HA 0.372 4.716 4.340 0.006 0.000 0.277 224 L C -0.151 176.907 176.870 0.313 0.000 1.075 224 L CA -0.768 54.142 54.840 0.117 0.000 0.804 224 L CB 1.421 43.541 42.059 0.101 0.000 1.174 224 L HN 0.583 nan 8.230 nan 0.000 0.438 225 W N 2.964 124.415 121.300 0.252 0.000 2.223 225 W HA 0.012 4.678 4.660 0.010 0.000 0.334 225 W C 1.474 178.022 176.519 0.048 0.000 1.334 225 W CA -0.271 57.119 57.345 0.076 0.000 1.246 225 W CB 0.633 30.095 29.460 0.004 0.000 1.184 225 W HN 0.583 nan 8.180 nan 0.000 0.563 226 K N 0.998 121.583 120.400 0.307 0.000 2.283 226 K HA -0.071 4.253 4.320 0.006 0.000 0.202 226 K C 0.036 176.674 176.600 0.063 0.000 1.048 226 K CA 0.983 57.362 56.287 0.152 0.000 0.948 226 K CB 0.077 32.637 32.500 0.100 0.000 0.742 226 K HN 0.272 nan 8.250 nan 0.000 0.458 227 S N 1.263 116.986 115.700 0.039 0.000 2.524 227 S HA 0.264 4.737 4.470 0.006 0.000 0.227 227 S C -1.157 173.338 174.600 -0.174 0.000 1.304 227 S CA -0.858 57.288 58.200 -0.089 0.000 1.185 227 S CB 1.425 64.513 63.200 -0.187 0.000 1.104 227 S HN 0.145 nan 8.310 nan 0.000 0.475 228 K N 1.217 121.601 120.400 -0.026 0.000 2.187 228 K HA 0.357 4.680 4.320 0.006 0.000 0.247 228 K C -0.634 175.827 176.600 -0.233 0.000 1.019 228 K CA 0.159 56.458 56.287 0.019 0.000 0.893 228 K CB 0.355 32.964 32.500 0.182 0.000 1.025 228 K HN 0.351 nan 8.250 nan 0.000 0.500 229 F N -0.319 119.674 119.950 0.073 0.000 2.440 229 F HA 0.232 4.762 4.527 0.004 0.000 0.328 229 F C 0.691 176.528 175.800 0.061 0.000 1.070 229 F CA -0.622 57.390 58.000 0.021 0.000 1.011 229 F CB 1.764 40.756 39.000 -0.013 0.000 1.226 229 F HN 0.244 nan 8.300 nan 0.000 0.491 230 S N 2.261 118.103 115.700 0.238 0.000 2.480 230 S HA 0.270 4.744 4.470 0.006 0.000 0.286 230 S C -1.834 172.856 174.600 0.149 0.000 1.180 230 S CA -1.146 57.149 58.200 0.159 0.000 1.075 230 S CB 1.699 64.966 63.200 0.112 0.000 0.996 230 S HN 0.326 nan 8.310 nan 0.000 0.487 231 P HA -0.151 nan 4.420 nan 0.000 0.218 231 P C 1.421 178.759 177.300 0.062 0.000 1.148 231 P CA 0.804 63.957 63.100 0.088 0.000 0.822 231 P CB 0.148 31.894 31.700 0.076 0.000 0.784 232 E N -0.297 119.937 120.200 0.056 0.000 2.118 232 E HA -0.199 4.155 4.350 0.006 0.000 0.195 232 E C 1.231 177.844 176.600 0.022 0.000 0.992 232 E CA 1.233 57.653 56.400 0.033 0.000 0.804 232 E CB -1.560 28.157 29.700 0.028 0.000 0.741 232 E HN 0.360 nan 8.360 nan 0.000 0.458 233 N N 1.014 119.743 118.700 0.049 0.000 2.512 233 N HA -0.032 4.712 4.740 0.006 0.000 0.183 233 N C 0.082 175.612 175.510 0.033 0.000 1.073 233 N CA 0.572 53.646 53.050 0.039 0.000 0.911 233 N CB -0.069 38.514 38.487 0.161 0.000 0.964 233 N HN 0.106 nan 8.380 nan 0.000 0.447 234 T N 1.948 116.525 114.554 0.039 0.000 2.794 234 T HA 0.360 4.714 4.350 0.006 0.000 0.296 234 T C 0.363 175.068 174.700 0.008 0.000 0.949 234 T CA -0.141 61.971 62.100 0.021 0.000 1.101 234 T CB 0.983 69.866 68.868 0.024 0.000 0.905 234 T HN -0.024 nan 8.240 nan 0.000 0.516 235 R N 1.932 122.435 120.500 0.005 0.000 2.795 235 R HA 0.575 4.918 4.340 0.006 0.000 0.275 235 R C -0.527 175.786 176.300 0.022 0.000 0.981 235 R CA -0.988 55.115 56.100 0.006 0.000 0.917 235 R CB 0.999 31.294 30.300 -0.008 0.000 1.202 235 R HN 0.316 nan 8.270 nan 0.000 0.469 236 K N 1.135 121.550 120.400 0.025 0.000 2.230 236 K HA 0.235 4.558 4.320 0.006 0.000 0.253 236 K C -0.764 175.863 176.600 0.045 0.000 1.008 236 K CA 0.143 56.452 56.287 0.036 0.000 0.910 236 K CB 0.461 32.981 32.500 0.034 0.000 0.994 236 K HN 0.655 nan 8.250 nan 0.000 0.495 237 E N 2.183 122.421 120.200 0.063 0.000 2.506 237 E HA 0.138 4.492 4.350 0.006 0.000 0.308 237 E C -1.452 175.210 176.600 0.104 0.000 0.931 237 E CA -0.593 55.851 56.400 0.074 0.000 0.800 237 E CB 0.411 30.160 29.700 0.081 0.000 1.292 237 E HN 0.216 nan 8.360 nan 0.000 0.401 238 L N 4.140 125.416 121.223 0.089 0.000 2.540 238 L HA 0.171 4.514 4.340 0.006 0.000 0.276 238 L C -0.226 176.736 176.870 0.153 0.000 1.212 238 L CA 0.958 55.866 54.840 0.114 0.000 0.893 238 L CB -0.275 41.831 42.059 0.078 0.000 1.138 238 L HN 0.469 nan 8.230 nan 0.000 0.491 239 F N 4.091 124.073 119.950 0.055 0.000 2.444 239 F HA 0.341 4.872 4.527 0.006 0.000 0.342 239 F C -0.592 175.267 175.800 0.098 0.000 1.121 239 F CA -0.867 57.165 58.000 0.054 0.000 0.997 239 F CB 0.889 39.893 39.000 0.007 0.000 1.130 239 F HN 0.361 nan 8.300 nan 0.000 0.454 240 Y N 6.759 126.722 120.300 -0.563 0.000 2.383 240 Y HA 0.370 4.924 4.550 0.006 0.000 0.344 240 Y C -0.402 175.335 175.900 -0.272 0.000 0.986 240 Y CA -0.800 57.117 58.100 -0.305 0.000 1.175 240 Y CB 0.441 38.739 38.460 -0.269 0.000 1.152 240 Y HN 0.501 nan 8.280 nan 0.000 0.511 241 K N 5.796 125.929 120.400 -0.445 0.000 2.322 241 K HA 0.366 4.690 4.320 0.006 0.000 0.283 241 K C 1.036 177.266 176.600 -0.616 0.000 1.042 241 K CA 0.293 56.403 56.287 -0.294 0.000 0.958 241 K CB 1.093 33.541 32.500 -0.087 0.000 0.984 241 K HN 0.908 nan 8.250 nan 0.000 0.473 242 A N 3.911 126.549 122.820 -0.304 0.000 2.067 242 A HA -0.228 4.095 4.320 0.006 0.000 0.218 242 A C 0.520 177.958 177.584 -0.243 0.000 1.395 242 A CA 1.539 53.456 52.037 -0.201 0.000 0.821 242 A CB -0.391 18.573 19.000 -0.061 0.000 0.822 242 A HN 0.768 nan 8.150 nan 0.000 0.502 243 D N 0.461 120.786 120.400 -0.125 0.000 2.441 243 D HA 0.484 5.128 4.640 0.006 0.000 0.221 243 D C 0.356 176.596 176.300 -0.099 0.000 1.156 243 D CA 1.482 55.437 54.000 -0.076 0.000 0.896 243 D CB 0.273 41.063 40.800 -0.017 0.000 1.028 243 D HN 0.808 nan 8.370 nan 0.000 0.509 244 G N 1.926 110.632 108.800 -0.156 0.000 2.362 244 G HA2 0.040 4.003 3.960 0.006 0.000 0.288 244 G HA3 0.040 4.003 3.960 0.006 0.000 0.288 244 G C -0.463 174.343 174.900 -0.158 0.000 1.305 244 G CA -0.702 44.335 45.100 -0.106 0.000 0.910 244 G HN 0.269 nan 8.290 nan 0.000 0.518 245 E N -0.256 119.920 120.200 -0.041 0.000 3.466 245 E HA 0.752 5.106 4.350 0.006 0.000 0.265 245 E C -0.119 176.502 176.600 0.035 0.000 1.291 245 E CA -0.319 56.107 56.400 0.044 0.000 1.226 245 E CB 0.449 30.195 29.700 0.076 0.000 1.404 245 E HN 0.480 nan 8.360 nan 0.000 0.697 246 S N -0.897 114.881 115.700 0.129 0.000 2.621 246 S HA 0.575 5.049 4.470 0.006 0.000 0.302 246 S C -0.284 174.405 174.600 0.150 0.000 1.093 246 S CA -0.604 57.691 58.200 0.158 0.000 1.017 246 S CB 0.864 64.174 63.200 0.183 0.000 1.077 246 S HN 0.724 nan 8.310 nan 0.000 0.517 247 c N 0.141 118.854 118.600 0.187 0.000 2.712 247 c HA 0.840 5.413 4.570 0.006 0.000 0.308 247 c C 0.584 174.762 174.090 0.147 0.000 1.201 247 c CA -1.152 55.268 56.329 0.151 0.000 1.554 247 c CB 0.696 43.296 42.510 0.151 0.000 2.117 247 c HN 0.725 nan 8.230 nan 0.000 0.480 248 S N 0.820 116.582 115.700 0.103 0.000 2.566 248 S HA 0.503 4.977 4.470 0.006 0.000 0.280 248 S C 0.057 174.704 174.600 0.077 0.000 1.343 248 S CA 0.531 58.783 58.200 0.087 0.000 1.036 248 S CB 0.094 63.331 63.200 0.063 0.000 0.866 248 S HN 2.178 nan 8.310 nan 0.000 0.526 249 A N 3.142 126.007 122.820 0.075 0.000 2.513 249 A HA 0.575 4.899 4.320 0.006 0.000 0.296 249 A C -0.550 177.062 177.584 0.048 0.000 1.052 249 A CA -0.647 51.420 52.037 0.051 0.000 0.714 249 A CB 1.508 20.551 19.000 0.071 0.000 1.279 249 A HN 0.664 nan 8.150 nan 0.000 0.397 250 S N 3.396 119.117 115.700 0.034 0.000 2.416 250 S HA 0.442 4.916 4.470 0.006 0.000 0.287 250 S C 0.040 174.650 174.600 0.016 0.000 1.139 250 S CA -0.271 57.946 58.200 0.029 0.000 1.058 250 S CB -0.064 63.153 63.200 0.029 0.000 0.967 250 S HN 0.577 nan 8.310 nan 0.000 0.495 251 M N 4.073 123.682 119.600 0.016 0.000 2.157 251 M HA 0.422 4.906 4.480 0.006 0.000 0.354 251 M C -0.131 176.142 176.300 -0.044 0.000 1.170 251 M CA -0.004 55.295 55.300 -0.002 0.000 1.060 251 M CB 0.836 33.469 32.600 0.054 0.000 1.615 251 M HN 0.446 nan 8.290 nan 0.000 0.460 252 M N 2.248 121.755 119.600 -0.155 0.000 2.359 252 M HA 0.409 4.893 4.480 0.006 0.000 0.322 252 M C -1.072 175.134 176.300 -0.157 0.000 1.166 252 M CA -0.494 54.665 55.300 -0.235 0.000 1.067 252 M CB 1.364 33.560 32.600 -0.674 0.000 1.523 252 M HN 0.556 nan 8.290 nan 0.000 0.467 253 Y N 1.054 121.268 120.300 -0.144 0.000 2.442 253 Y HA 0.489 5.043 4.550 0.005 0.000 0.344 253 Y C -1.029 174.920 175.900 0.082 0.000 0.976 253 Y CA -0.436 57.572 58.100 -0.154 0.000 1.040 253 Y CB 1.679 40.000 38.460 -0.231 0.000 1.228 253 Y HN 0.700 nan 8.280 nan 0.000 0.451 254 Q N 4.178 123.715 119.800 -0.438 0.000 2.426 254 Q HA 0.311 4.655 4.340 0.006 0.000 0.278 254 Q C -2.120 173.629 176.000 -0.420 0.000 1.007 254 Q CA -0.811 54.851 55.803 -0.236 0.000 0.850 254 Q CB 2.398 31.041 28.738 -0.158 0.000 1.427 254 Q HN 0.837 nan 8.270 nan 0.000 0.391 255 E N 1.149 121.238 120.200 -0.185 0.000 2.248 255 E HA 0.792 5.146 4.350 0.006 0.000 0.267 255 E C -0.982 175.643 176.600 0.041 0.000 0.877 255 E CA -0.456 55.882 56.400 -0.104 0.000 0.759 255 E CB 1.829 31.504 29.700 -0.041 0.000 1.182 255 E HN 0.822 nan 8.360 nan 0.000 0.418 256 G N 2.716 111.601 108.800 0.142 0.000 2.317 256 G HA2 0.134 4.098 3.960 0.006 0.000 0.293 256 G HA3 0.134 4.098 3.960 0.006 0.000 0.293 256 G C -1.517 173.457 174.900 0.123 0.000 1.287 256 G CA -0.972 44.200 45.100 0.121 0.000 0.850 256 G HN 0.397 nan 8.290 nan 0.000 0.515 257 K N -0.121 120.169 120.400 -0.184 0.000 2.201 257 K HA 0.648 4.971 4.320 0.006 0.000 0.278 257 K C -1.440 174.858 176.600 -0.503 0.000 1.027 257 K CA -0.025 56.156 56.287 -0.176 0.000 0.909 257 K CB 1.107 33.508 32.500 -0.166 0.000 1.062 257 K HN 0.267 nan 8.250 nan 0.000 0.465 258 F N 0.483 120.403 119.950 -0.050 0.000 2.619 258 F HA 0.346 4.875 4.527 0.003 0.000 0.308 258 F C 0.172 175.992 175.800 0.032 0.000 1.097 258 F CA -1.075 56.907 58.000 -0.029 0.000 0.953 258 F CB 1.480 40.443 39.000 -0.062 0.000 1.287 258 F HN 0.175 nan 8.300 nan 0.000 0.446 259 R N 1.899 122.520 120.500 0.202 0.000 2.351 259 R HA 0.287 4.631 4.340 0.006 0.000 0.318 259 R C -1.298 175.140 176.300 0.229 0.000 1.055 259 R CA -0.052 56.144 56.100 0.161 0.000 0.968 259 R CB 0.464 30.828 30.300 0.107 0.000 0.974 259 R HN 0.692 nan 8.270 nan 0.000 0.439 260 Y N 1.909 122.241 120.300 0.053 0.000 2.705 260 Y HA 0.616 5.163 4.550 -0.006 0.000 0.332 260 Y C -1.299 174.601 175.900 -0.000 0.000 1.157 260 Y CA -1.347 56.764 58.100 0.018 0.000 1.091 260 Y CB 1.841 40.308 38.460 0.011 0.000 1.301 260 Y HN 0.459 nan 8.280 nan 0.000 0.488 261 R N 2.488 122.145 120.500 -1.405 0.000 4.828 261 R HA 0.218 4.562 4.340 0.006 0.000 0.253 261 R C -2.341 173.336 176.300 -1.038 0.000 1.005 261 R CA -0.599 54.908 56.100 -0.987 0.000 1.405 261 R CB 0.361 30.436 30.300 -0.376 0.000 1.224 261 R HN 0.898 nan 8.270 nan 0.000 0.617 262 R N 4.011 124.085 120.500 -0.710 0.000 2.221 262 R HA 0.635 4.979 4.340 0.006 0.000 0.327 262 R C 0.081 176.244 176.300 -0.227 0.000 1.033 262 R CA -0.313 55.580 56.100 -0.345 0.000 0.887 262 R CB 0.766 31.023 30.300 -0.072 0.000 1.057 262 R HN 0.498 nan 8.270 nan 0.000 0.455 263 V N 1.672 121.451 119.914 -0.224 0.000 3.547 263 V HA 0.758 4.882 4.120 0.006 0.000 0.289 263 V C 0.309 176.370 176.094 -0.056 0.000 1.226 263 V CA -0.732 61.496 62.300 -0.121 0.000 0.966 263 V CB 0.510 32.263 31.823 -0.116 0.000 1.255 263 V HN 0.919 nan 8.190 nan 0.000 0.466 264 A N 0.156 122.985 122.820 0.016 0.000 2.603 264 A HA 0.179 4.503 4.320 0.006 0.000 0.235 264 A C 0.912 178.502 177.584 0.011 0.000 1.035 264 A CA 1.102 53.159 52.037 0.034 0.000 0.755 264 A CB -1.194 17.857 19.000 0.084 0.000 0.954 264 A HN 1.406 nan 8.150 nan 0.000 0.511 265 E N 0.517 120.722 120.200 0.009 0.000 3.170 265 E HA -0.313 4.041 4.350 0.006 0.000 0.284 265 E C 0.972 177.563 176.600 -0.016 0.000 0.967 265 E CA 1.152 57.553 56.400 0.002 0.000 0.919 265 E CB -2.234 27.475 29.700 0.015 0.000 1.469 265 E HN 2.448 nan 8.360 nan 0.000 0.444 266 G N -0.246 108.537 108.800 -0.029 0.000 2.143 266 G HA2 -0.333 3.631 3.960 0.006 0.000 0.249 266 G HA3 -0.333 3.631 3.960 0.006 0.000 0.249 266 G C 0.328 175.189 174.900 -0.065 0.000 0.981 266 G CA 0.558 45.635 45.100 -0.038 0.000 0.665 266 G HN 0.274 nan 8.290 nan 0.000 0.528 267 T N 1.125 115.618 114.554 -0.102 0.000 2.919 267 T HA 0.475 4.829 4.350 0.006 0.000 0.302 267 T C 0.411 174.971 174.700 -0.233 0.000 1.031 267 T CA 0.315 62.314 62.100 -0.167 0.000 1.127 267 T CB 1.160 69.887 68.868 -0.235 0.000 0.952 267 T HN 0.422 nan 8.240 nan 0.000 0.540 268 Q N 1.429 121.107 119.800 -0.203 0.000 2.282 268 Q HA 0.584 4.927 4.340 0.006 0.000 0.260 268 Q C -1.141 174.701 176.000 -0.265 0.000 0.964 268 Q CA -0.811 54.878 55.803 -0.190 0.000 0.880 268 Q CB 2.110 30.872 28.738 0.041 0.000 1.286 268 Q HN 0.365 nan 8.270 nan 0.000 0.445 269 V N 3.817 123.522 119.914 -0.349 0.000 2.349 269 V HA 0.326 4.450 4.120 0.006 0.000 0.284 269 V C -1.024 175.013 176.094 -0.094 0.000 1.014 269 V CA -0.687 61.456 62.300 -0.260 0.000 0.826 269 V CB 1.248 32.862 31.823 -0.348 0.000 1.009 269 V HN 0.538 nan 8.190 nan 0.000 0.431 270 L N 4.066 125.312 121.223 0.039 0.000 2.322 270 L HA 0.653 4.997 4.340 0.006 0.000 0.281 270 L C -0.265 176.668 176.870 0.106 0.000 1.014 270 L CA 0.095 55.011 54.840 0.127 0.000 0.815 270 L CB 1.704 43.800 42.059 0.062 0.000 1.247 270 L HN 0.687 nan 8.230 nan 0.000 0.421 271 E N 5.048 125.336 120.200 0.147 0.000 2.151 271 E HA 0.395 4.749 4.350 0.006 0.000 0.275 271 E C -1.507 175.214 176.600 0.202 0.000 0.936 271 E CA -0.571 55.928 56.400 0.166 0.000 0.777 271 E CB 1.141 30.935 29.700 0.157 0.000 1.108 271 E HN 0.672 nan 8.360 nan 0.000 0.401 272 L N 7.398 128.725 121.223 0.174 0.000 2.301 272 L HA 0.389 4.733 4.340 0.006 0.000 0.278 272 L C -2.142 174.830 176.870 0.170 0.000 1.022 272 L CA -1.990 52.932 54.840 0.136 0.000 0.854 272 L CB 1.246 43.243 42.059 -0.103 0.000 1.226 272 L HN 0.306 nan 8.230 nan 0.000 0.429 273 P HA 0.170 nan 4.420 nan 0.000 0.275 273 P C -0.873 176.536 177.300 0.183 0.000 1.227 273 P CA -0.100 63.104 63.100 0.174 0.000 0.781 273 P CB 0.919 32.696 31.700 0.127 0.000 0.906 274 F N 1.143 121.287 119.950 0.324 0.000 2.408 274 F HA 0.334 4.866 4.527 0.009 0.000 0.325 274 F C 1.534 177.448 175.800 0.189 0.000 1.082 274 F CA -0.655 57.511 58.000 0.277 0.000 1.032 274 F CB 0.738 39.886 39.000 0.246 0.000 1.259 274 F HN 0.103 nan 8.300 nan 0.000 0.503 275 K N 1.086 121.704 120.400 0.364 0.000 2.473 275 K HA 0.234 4.558 4.320 0.006 0.000 0.277 275 K C 0.795 177.513 176.600 0.196 0.000 1.052 275 K CA 1.202 57.620 56.287 0.217 0.000 1.114 275 K CB -0.320 32.278 32.500 0.163 0.000 0.869 275 K HN 0.928 nan 8.250 nan 0.000 0.481 276 G N 3.015 111.905 108.800 0.150 0.000 2.376 276 G HA2 -0.273 3.691 3.960 0.006 0.000 0.208 276 G HA3 -0.273 3.691 3.960 0.006 0.000 0.208 276 G C 0.228 175.205 174.900 0.129 0.000 1.032 276 G CA 0.135 45.312 45.100 0.128 0.000 0.641 276 G HN 0.794 nan 8.290 nan 0.000 0.503 277 D N 0.306 120.808 120.400 0.170 0.000 2.911 277 D HA -0.151 4.493 4.640 0.006 0.000 0.199 277 D C 1.067 177.460 176.300 0.154 0.000 1.041 277 D CA 1.800 55.894 54.000 0.156 0.000 1.013 277 D CB -1.090 39.771 40.800 0.102 0.000 1.093 277 D HN 0.705 nan 8.370 nan 0.000 0.431 278 D N 0.432 120.925 120.400 0.156 0.000 2.348 278 D HA 0.006 4.649 4.640 0.006 0.000 0.211 278 D C 0.669 177.059 176.300 0.150 0.000 0.998 278 D CA 0.425 54.503 54.000 0.130 0.000 0.873 278 D CB 0.425 41.288 40.800 0.103 0.000 0.925 278 D HN 0.355 nan 8.370 nan 0.000 0.524 279 I N 1.149 121.853 120.570 0.224 0.000 2.500 279 I HA 0.199 4.373 4.170 0.006 0.000 0.286 279 I C -0.576 175.846 176.117 0.508 0.000 1.063 279 I CA -0.547 60.902 61.300 0.247 0.000 1.062 279 I CB 2.219 40.291 38.000 0.120 0.000 1.223 279 I HN -0.130 nan 8.210 nan 0.000 0.435 280 T N 3.218 118.025 114.554 0.421 0.000 2.916 280 T HA 0.662 5.016 4.350 0.006 0.000 0.292 280 T C -0.615 174.369 174.700 0.472 0.000 1.055 280 T CA -0.856 61.516 62.100 0.453 0.000 1.009 280 T CB 2.371 71.406 68.868 0.279 0.000 1.118 280 T HN 0.542 nan 8.240 nan 0.000 0.497 281 M N 2.869 122.734 119.600 0.443 0.000 2.205 281 M HA 0.622 5.105 4.480 0.006 0.000 0.344 281 M C -1.744 174.777 176.300 0.369 0.000 1.085 281 M CA -0.755 54.835 55.300 0.483 0.000 1.001 281 M CB 1.099 34.057 32.600 0.597 0.000 1.626 281 M HN 0.573 nan 8.290 nan 0.000 0.442 282 V N 6.685 126.837 119.914 0.397 0.000 2.417 282 V HA 0.465 4.589 4.120 0.006 0.000 0.291 282 V C -0.245 176.085 176.094 0.394 0.000 1.024 282 V CA -0.678 61.822 62.300 0.332 0.000 0.861 282 V CB 1.628 33.612 31.823 0.269 0.000 0.985 282 V HN 0.820 nan 8.190 nan 0.000 0.436 283 L N 5.925 127.302 121.223 0.256 0.000 2.334 283 L HA 0.672 5.016 4.340 0.006 0.000 0.275 283 L C -0.642 176.324 176.870 0.160 0.000 1.036 283 L CA -0.570 54.408 54.840 0.231 0.000 0.807 283 L CB 1.806 43.888 42.059 0.039 0.000 1.231 283 L HN 0.450 nan 8.230 nan 0.000 0.438 284 I N 4.104 124.788 120.570 0.190 0.000 2.500 284 I HA 0.360 4.533 4.170 0.006 0.000 0.286 284 I C -0.939 175.219 176.117 0.069 0.000 1.063 284 I CA -0.401 60.928 61.300 0.049 0.000 1.062 284 I CB 1.892 39.936 38.000 0.073 0.000 1.223 284 I HN 0.391 nan 8.210 nan 0.000 0.435 285 L N 6.489 127.696 121.223 -0.026 0.000 2.381 285 L HA 0.725 5.069 4.340 0.006 0.000 0.274 285 L C -2.740 174.105 176.870 -0.042 0.000 0.988 285 L CA -1.921 52.922 54.840 0.005 0.000 0.824 285 L CB 1.829 43.867 42.059 -0.035 0.000 1.263 285 L HN 0.219 nan 8.230 nan 0.000 0.410 286 P HA 0.115 nan 4.420 nan 0.000 0.274 286 P C -0.859 176.427 177.300 -0.023 0.000 1.246 286 P CA -0.555 62.531 63.100 -0.023 0.000 0.795 286 P CB 0.990 32.696 31.700 0.010 0.000 1.006 287 K N 1.754 122.137 120.400 -0.027 0.000 2.440 287 K HA 0.150 4.474 4.320 0.006 0.000 0.270 287 K C -2.326 174.262 176.600 -0.020 0.000 0.980 287 K CA -1.226 55.046 56.287 -0.026 0.000 0.953 287 K CB -1.107 31.380 32.500 -0.022 0.000 0.925 287 K HN 0.255 nan 8.250 nan 0.000 0.497 288 P HA -0.056 nan 4.420 nan 0.000 0.264 288 P C -0.536 176.752 177.300 -0.021 0.000 1.183 288 P CA 0.661 63.745 63.100 -0.027 0.000 0.763 288 P CB 0.463 32.140 31.700 -0.039 0.000 0.807 289 E N -0.370 119.821 120.200 -0.016 0.000 4.289 289 E HA -0.198 4.156 4.350 0.006 0.000 0.351 289 E C 0.131 176.729 176.600 -0.004 0.000 0.606 289 E CA 1.417 57.810 56.400 -0.012 0.000 1.464 289 E CB -1.036 28.654 29.700 -0.017 0.000 1.831 289 E HN 0.372 nan 8.360 nan 0.000 0.400 290 K N 0.721 121.120 120.400 -0.002 0.000 2.237 290 K HA 0.342 4.666 4.320 0.006 0.000 0.270 290 K C 0.017 176.624 176.600 0.012 0.000 1.015 290 K CA 0.032 56.321 56.287 0.004 0.000 0.949 290 K CB 1.491 33.992 32.500 0.003 0.000 0.976 290 K HN 0.080 nan 8.250 nan 0.000 0.472 291 S N 2.078 117.787 115.700 0.016 0.000 2.525 291 S HA 0.121 4.595 4.470 0.006 0.000 0.278 291 S C 1.110 175.731 174.600 0.034 0.000 1.234 291 S CA -0.656 57.557 58.200 0.022 0.000 1.058 291 S CB 0.628 63.838 63.200 0.016 0.000 0.983 291 S HN 0.499 nan 8.310 nan 0.000 0.495 292 L N 5.867 127.115 121.223 0.042 0.000 2.141 292 L HA 0.164 4.508 4.340 0.006 0.000 0.209 292 L C 2.428 179.340 176.870 0.070 0.000 1.094 292 L CA 2.239 57.116 54.840 0.062 0.000 0.763 292 L CB -1.374 40.726 42.059 0.068 0.000 0.908 292 L HN 0.889 nan 8.230 nan 0.000 0.437 293 A N -0.528 122.319 122.820 0.045 0.000 1.986 293 A HA -0.268 4.055 4.320 0.006 0.000 0.220 293 A C 2.287 179.896 177.584 0.041 0.000 1.171 293 A CA 2.019 54.076 52.037 0.034 0.000 0.640 293 A CB -0.493 18.511 19.000 0.006 0.000 0.811 293 A HN 0.536 nan 8.150 nan 0.000 0.451 294 K N -0.472 119.955 120.400 0.044 0.000 2.148 294 K HA -0.037 4.287 4.320 0.006 0.000 0.204 294 K C 1.770 178.417 176.600 0.079 0.000 1.050 294 K CA 1.318 57.633 56.287 0.047 0.000 0.942 294 K CB -0.267 32.257 32.500 0.041 0.000 0.724 294 K HN 0.388 nan 8.250 nan 0.000 0.446 295 V N 1.778 121.757 119.914 0.109 0.000 2.323 295 V HA -0.185 3.939 4.120 0.006 0.000 0.244 295 V C 1.922 178.129 176.094 0.187 0.000 1.041 295 V CA 1.612 64.019 62.300 0.178 0.000 1.025 295 V CB -0.516 31.424 31.823 0.196 0.000 0.656 295 V HN 0.290 nan 8.190 nan 0.000 0.451 296 E N 0.643 120.942 120.200 0.165 0.000 2.160 296 E HA -0.239 4.115 4.350 0.006 0.000 0.195 296 E C 2.102 178.768 176.600 0.111 0.000 0.991 296 E CA 1.155 57.666 56.400 0.185 0.000 0.810 296 E CB -0.225 29.598 29.700 0.206 0.000 0.742 296 E HN 0.593 nan 8.360 nan 0.000 0.466 297 K N 0.578 121.013 120.400 0.058 0.000 2.365 297 K HA -0.077 4.247 4.320 0.006 0.000 0.199 297 K C 1.191 177.795 176.600 0.008 0.000 1.045 297 K CA 0.746 57.038 56.287 0.009 0.000 0.962 297 K CB 0.159 32.654 32.500 -0.008 0.000 0.759 297 K HN 0.140 nan 8.250 nan 0.000 0.469 298 E N 0.443 120.664 120.200 0.035 0.000 2.526 298 E HA 0.042 4.396 4.350 0.006 0.000 0.208 298 E C -0.544 176.043 176.600 -0.022 0.000 0.997 298 E CA -0.338 56.067 56.400 0.008 0.000 0.961 298 E CB 0.456 30.173 29.700 0.028 0.000 1.030 298 E HN 0.003 nan 8.360 nan 0.000 0.483 299 L N 1.706 122.943 121.223 0.023 0.000 2.455 299 L HA 0.145 4.489 4.340 0.006 0.000 0.272 299 L C -0.442 176.397 176.870 -0.050 0.000 1.174 299 L CA 1.158 55.998 54.840 0.000 0.000 0.869 299 L CB 0.557 42.683 42.059 0.112 0.000 1.130 299 L HN -0.116 nan 8.230 nan 0.000 0.474 300 T N 4.736 119.215 114.554 -0.124 0.000 2.840 300 T HA 0.302 4.656 4.350 0.006 0.000 0.317 300 T C -2.363 172.247 174.700 -0.151 0.000 1.401 300 T CA -0.497 61.533 62.100 -0.115 0.000 1.028 300 T CB 1.665 70.458 68.868 -0.126 0.000 1.317 300 T HN 0.258 nan 8.240 nan 0.000 0.495 301 P HA -0.143 nan 4.420 nan 0.000 0.215 301 P C 1.499 178.707 177.300 -0.153 0.000 1.153 301 P CA 1.136 64.162 63.100 -0.124 0.000 0.853 301 P CB 0.243 31.878 31.700 -0.107 0.000 0.788 302 E N -0.478 119.633 120.200 -0.148 0.000 2.047 302 E HA -0.092 4.262 4.350 0.006 0.000 0.191 302 E C 2.153 178.603 176.600 -0.250 0.000 0.987 302 E CA 1.052 57.362 56.400 -0.150 0.000 0.799 302 E CB -1.650 27.982 29.700 -0.114 0.000 0.752 302 E HN 0.078 nan 8.360 nan 0.000 0.449 303 V N 2.060 121.776 119.914 -0.330 0.000 2.250 303 V HA -0.283 3.841 4.120 0.006 0.000 0.250 303 V C 2.623 178.206 176.094 -0.852 0.000 1.060 303 V CA 2.040 63.988 62.300 -0.586 0.000 1.030 303 V CB -0.771 30.690 31.823 -0.604 0.000 0.643 303 V HN 0.129 nan 8.190 nan 0.000 0.445 304 L N -0.217 120.640 121.223 -0.610 0.000 2.046 304 L HA -0.199 4.144 4.340 0.006 0.000 0.208 304 L C 2.487 179.205 176.870 -0.254 0.000 1.077 304 L CA 2.195 56.767 54.840 -0.447 0.000 0.747 304 L CB -0.716 41.147 42.059 -0.328 0.000 0.896 304 L HN 0.347 nan 8.230 nan 0.000 0.432 305 Q N 0.076 119.752 119.800 -0.207 0.000 2.084 305 Q HA -0.264 4.080 4.340 0.006 0.000 0.202 305 Q C 2.123 178.073 176.000 -0.083 0.000 0.978 305 Q CA 2.144 57.886 55.803 -0.100 0.000 0.844 305 Q CB -0.297 28.403 28.738 -0.063 0.000 0.898 305 Q HN 0.668 nan 8.270 nan 0.000 0.426 306 E N -1.043 119.057 120.200 -0.166 0.000 2.026 306 E HA -0.231 4.123 4.350 0.006 0.000 0.206 306 E C 1.560 178.176 176.600 0.025 0.000 1.028 306 E CA 1.812 58.142 56.400 -0.117 0.000 0.845 306 E CB -0.352 29.207 29.700 -0.234 0.000 0.772 306 E HN 0.476 nan 8.360 nan 0.000 0.462 307 W N 0.723 121.990 121.300 -0.056 0.000 2.304 307 W HA -0.228 4.438 4.660 0.009 0.000 0.315 307 W C 2.323 178.803 176.519 -0.064 0.000 1.233 307 W CA 0.835 58.140 57.345 -0.068 0.000 1.261 307 W CB -1.316 28.097 29.460 -0.078 0.000 1.150 307 W HN 0.271 nan 8.180 nan 0.000 0.494 308 L N -0.175 121.155 121.223 0.179 0.000 2.189 308 L HA -0.237 4.107 4.340 0.006 0.000 0.214 308 L C 1.993 178.903 176.870 0.067 0.000 1.097 308 L CA 1.353 56.248 54.840 0.091 0.000 0.764 308 L CB -0.739 41.345 42.059 0.042 0.000 0.900 308 L HN -0.058 nan 8.230 nan 0.000 0.436 309 D N 0.015 120.452 120.400 0.061 0.000 2.144 309 D HA -0.109 4.535 4.640 0.006 0.000 0.207 309 D C 1.749 178.074 176.300 0.042 0.000 0.970 309 D CA 0.863 54.889 54.000 0.042 0.000 0.853 309 D CB -0.145 40.672 40.800 0.028 0.000 1.007 309 D HN 0.373 nan 8.370 nan 0.000 0.469 310 E N 0.619 120.851 120.200 0.053 0.000 2.526 310 E HA -0.043 4.311 4.350 0.006 0.000 0.205 310 E C 0.323 176.927 176.600 0.007 0.000 1.104 310 E CA 0.037 56.458 56.400 0.034 0.000 0.899 310 E CB -0.069 29.661 29.700 0.050 0.000 0.838 310 E HN 0.295 nan 8.360 nan 0.000 0.564 311 L N 1.867 123.100 121.223 0.016 0.000 2.397 311 L HA 0.139 4.483 4.340 0.006 0.000 0.271 311 L C 0.599 177.485 176.870 0.026 0.000 1.148 311 L CA 0.107 54.950 54.840 0.005 0.000 0.825 311 L CB 0.580 42.659 42.059 0.032 0.000 1.117 311 L HN -0.018 nan 8.230 nan 0.000 0.456 312 E N 2.172 122.397 120.200 0.041 0.000 2.317 312 E HA 0.274 4.628 4.350 0.006 0.000 0.270 312 E C -0.965 175.684 176.600 0.082 0.000 0.885 312 E CA -0.815 55.617 56.400 0.053 0.000 0.760 312 E CB 2.083 31.811 29.700 0.047 0.000 1.227 312 E HN 0.375 nan 8.360 nan 0.000 0.434 313 E N 1.744 121.978 120.200 0.057 0.000 2.465 313 E HA 0.111 4.465 4.350 0.006 0.000 0.260 313 E C -0.222 176.418 176.600 0.067 0.000 0.980 313 E CA 0.572 57.002 56.400 0.050 0.000 0.927 313 E CB 0.756 30.464 29.700 0.012 0.000 0.934 313 E HN 0.376 nan 8.360 nan 0.000 0.459 314 M N 2.595 122.246 119.600 0.084 0.000 2.534 314 M HA 0.231 4.715 4.480 0.006 0.000 0.280 314 M C -1.453 174.882 176.300 0.057 0.000 1.217 314 M CA -0.676 54.669 55.300 0.075 0.000 0.893 314 M CB 1.884 34.557 32.600 0.122 0.000 1.730 314 M HN 0.250 nan 8.290 nan 0.000 0.483 315 M N 5.733 125.346 119.600 0.023 0.000 2.108 315 M HA 0.461 4.945 4.480 0.006 0.000 0.347 315 M C -1.188 175.097 176.300 -0.025 0.000 1.326 315 M CA -0.203 55.105 55.300 0.013 0.000 1.126 315 M CB -0.214 32.386 32.600 -0.001 0.000 1.606 315 M HN 0.657 nan 8.290 nan 0.000 0.462 316 L N 2.148 123.356 121.223 -0.025 0.000 2.409 316 L HA 0.826 5.169 4.340 0.006 0.000 0.255 316 L C -1.327 175.443 176.870 -0.167 0.000 1.027 316 L CA -1.034 53.716 54.840 -0.150 0.000 0.834 316 L CB 1.964 43.828 42.059 -0.325 0.000 1.426 316 L HN 0.181 nan 8.230 nan 0.000 0.411 317 V N 1.732 121.520 119.914 -0.209 0.000 2.481 317 V HA 0.505 4.629 4.120 0.006 0.000 0.286 317 V C -0.045 175.863 176.094 -0.310 0.000 1.042 317 V CA -0.419 61.715 62.300 -0.276 0.000 0.928 317 V CB 1.857 33.584 31.823 -0.161 0.000 0.986 317 V HN 0.540 nan 8.190 nan 0.000 0.462 318 V N 4.620 124.275 119.914 -0.432 0.000 2.444 318 V HA 0.436 4.560 4.120 0.006 0.000 0.294 318 V C -0.899 175.040 176.094 -0.259 0.000 1.022 318 V CA -0.711 61.385 62.300 -0.339 0.000 0.850 318 V CB 1.488 33.020 31.823 -0.485 0.000 0.992 318 V HN 0.902 nan 8.190 nan 0.000 0.426 319 H N 4.809 123.708 119.070 -0.284 0.000 2.476 319 H HA 0.773 5.332 4.556 0.006 0.000 0.328 319 H C -0.227 174.949 175.328 -0.253 0.000 1.073 319 H CA -0.355 55.577 56.048 -0.192 0.000 1.229 319 H CB 1.482 31.187 29.762 -0.095 0.000 1.432 319 H HN 0.673 nan 8.280 nan 0.000 0.477 320 M N 5.159 124.638 119.600 -0.201 0.000 2.284 320 M HA 0.377 4.861 4.480 0.006 0.000 0.281 320 M C -3.113 173.063 176.300 -0.207 0.000 1.083 320 M CA -1.907 53.237 55.300 -0.260 0.000 0.965 320 M CB 2.500 34.893 32.600 -0.345 0.000 1.717 320 M HN 0.305 nan 8.290 nan 0.000 0.479 321 P HA 0.079 nan 4.420 nan 0.000 0.268 321 P C -1.362 176.033 177.300 0.157 0.000 1.205 321 P CA 0.089 63.182 63.100 -0.012 0.000 0.771 321 P CB 0.565 32.220 31.700 -0.075 0.000 0.858 322 R N 3.496 124.065 120.500 0.115 0.000 2.216 322 R HA 0.444 4.788 4.340 0.006 0.000 0.332 322 R C -0.025 176.417 176.300 0.237 0.000 1.056 322 R CA -0.098 56.086 56.100 0.140 0.000 0.901 322 R CB -0.200 30.131 30.300 0.051 0.000 1.039 322 R HN 0.573 nan 8.270 nan 0.000 0.456 323 F N 0.772 120.689 119.950 -0.055 0.000 3.215 323 F HA 0.634 5.165 4.527 0.007 0.000 0.326 323 F C -1.605 174.105 175.800 -0.151 0.000 1.189 323 F CA -1.498 56.441 58.000 -0.102 0.000 0.905 323 F CB 1.154 40.076 39.000 -0.129 0.000 1.485 323 F HN 0.366 nan 8.300 nan 0.000 0.508 324 R N 1.391 121.630 120.500 -0.435 0.000 2.604 324 R HA 0.747 5.091 4.340 0.006 0.000 0.261 324 R C -2.273 173.819 176.300 -0.347 0.000 1.080 324 R CA -0.728 54.975 56.100 -0.661 0.000 0.917 324 R CB 1.953 31.912 30.300 -0.568 0.000 1.252 324 R HN 1.179 nan 8.270 nan 0.000 0.456 325 I N -1.265 119.028 120.570 -0.462 0.000 2.722 325 I HA 0.607 4.781 4.170 0.006 0.000 0.295 325 I C -1.205 174.793 176.117 -0.199 0.000 1.161 325 I CA -0.910 60.260 61.300 -0.216 0.000 1.032 325 I CB 2.834 40.785 38.000 -0.082 0.000 1.244 325 I HN 0.703 nan 8.210 nan 0.000 0.421 326 E N 3.531 123.731 120.200 0.000 0.000 2.222 326 E HA 0.536 4.890 4.350 0.006 0.000 0.267 326 E C -1.696 175.043 176.600 0.232 0.000 0.884 326 E CA -0.755 55.739 56.400 0.157 0.000 0.764 326 E CB 2.798 32.604 29.700 0.176 0.000 1.169 326 E HN 0.610 nan 8.360 nan 0.000 0.413 327 D N 0.717 121.317 120.400 0.333 0.000 2.756 327 D HA 0.584 5.228 4.640 0.006 0.000 0.226 327 D C -1.217 175.320 176.300 0.395 0.000 1.186 327 D CA -0.438 53.797 54.000 0.391 0.000 0.845 327 D CB 2.172 43.270 40.800 0.496 0.000 1.610 327 D HN 0.576 nan 8.370 nan 0.000 0.465 328 G N 0.753 109.805 108.800 0.421 0.000 2.696 328 G HA2 0.773 4.737 3.960 0.006 0.000 0.295 328 G HA3 0.773 4.737 3.960 0.006 0.000 0.295 328 G C -1.424 173.721 174.900 0.409 0.000 1.398 328 G CA -0.797 44.439 45.100 0.227 0.000 0.920 328 G HN 0.524 nan 8.290 nan 0.000 0.492 329 F N -1.435 118.685 119.950 0.283 0.000 2.944 329 F HA 0.761 5.292 4.527 0.007 0.000 0.324 329 F C -0.533 175.434 175.800 0.279 0.000 1.151 329 F CA -1.289 56.864 58.000 0.254 0.000 0.883 329 F CB 0.972 40.090 39.000 0.197 0.000 1.341 329 F HN 0.639 nan 8.300 nan 0.000 0.456 330 S N 0.156 116.102 115.700 0.411 0.000 2.616 330 S HA 0.685 5.159 4.470 0.006 0.000 0.277 330 S C 0.202 174.984 174.600 0.304 0.000 1.234 330 S CA -0.721 57.569 58.200 0.151 0.000 1.028 330 S CB 0.928 64.146 63.200 0.030 0.000 0.988 330 S HN 0.700 nan 8.310 nan 0.000 0.522 331 L N 3.281 124.621 121.223 0.195 0.000 2.701 331 L HA 0.318 4.662 4.340 0.006 0.000 0.238 331 L C 2.200 179.155 176.870 0.141 0.000 1.106 331 L CA -0.136 54.914 54.840 0.351 0.000 0.898 331 L CB -0.378 41.932 42.059 0.417 0.000 1.188 331 L HN 0.638 nan 8.230 nan 0.000 0.508 332 K N 1.639 121.993 120.400 -0.077 0.000 2.015 332 K HA -0.256 4.068 4.320 0.006 0.000 0.216 332 K C 1.771 178.126 176.600 -0.409 0.000 1.052 332 K CA 2.458 58.439 56.287 -0.510 0.000 0.937 332 K CB 0.117 32.265 32.500 -0.586 0.000 0.719 332 K HN 0.237 nan 8.250 nan 0.000 0.446 333 E N 0.951 121.019 120.200 -0.220 0.000 2.045 333 E HA -0.285 4.069 4.350 0.006 0.000 0.212 333 E C 2.116 178.623 176.600 -0.155 0.000 1.039 333 E CA 2.107 58.410 56.400 -0.162 0.000 0.860 333 E CB -0.520 29.123 29.700 -0.096 0.000 0.776 333 E HN 0.425 nan 8.360 nan 0.000 0.467 334 Q N 0.618 120.342 119.800 -0.127 0.000 2.096 334 Q HA -0.108 4.236 4.340 0.006 0.000 0.204 334 Q C 2.543 178.425 176.000 -0.196 0.000 0.982 334 Q CA 1.313 56.992 55.803 -0.207 0.000 0.850 334 Q CB -0.717 27.820 28.738 -0.335 0.000 0.901 334 Q HN 0.358 nan 8.270 nan 0.000 0.422 335 L N 0.786 121.997 121.223 -0.019 0.000 2.083 335 L HA -0.226 4.118 4.340 0.006 0.000 0.209 335 L C 2.724 179.574 176.870 -0.033 0.000 1.083 335 L CA 1.330 56.179 54.840 0.015 0.000 0.752 335 L CB -0.454 41.689 42.059 0.139 0.000 0.899 335 L HN 0.304 nan 8.230 nan 0.000 0.433 336 Q N -0.216 119.516 119.800 -0.113 0.000 2.020 336 Q HA -0.206 4.137 4.340 0.006 0.000 0.202 336 Q C 1.792 177.745 176.000 -0.079 0.000 0.982 336 Q CA 1.534 57.296 55.803 -0.069 0.000 0.838 336 Q CB -0.258 28.395 28.738 -0.142 0.000 0.899 336 Q HN 0.503 nan 8.270 nan 0.000 0.423 337 D N 0.642 120.958 120.400 -0.139 0.000 2.182 337 D HA -0.151 4.493 4.640 0.006 0.000 0.201 337 D C 1.698 177.879 176.300 -0.199 0.000 0.986 337 D CA 1.254 55.168 54.000 -0.145 0.000 0.847 337 D CB -0.114 40.594 40.800 -0.154 0.000 0.942 337 D HN 0.307 nan 8.370 nan 0.000 0.467 338 M N -0.960 118.454 119.600 -0.310 0.000 2.619 338 M HA 0.086 4.569 4.480 0.006 0.000 0.251 338 M C 1.324 177.558 176.300 -0.109 0.000 1.106 338 M CA 0.875 56.008 55.300 -0.279 0.000 1.086 338 M CB 0.642 33.047 32.600 -0.325 0.000 1.465 338 M HN 0.200 nan 8.290 nan 0.000 0.506 339 G N 0.127 108.891 108.800 -0.061 0.000 2.421 339 G HA2 -0.138 3.826 3.960 0.006 0.000 0.188 339 G HA3 -0.138 3.826 3.960 0.006 0.000 0.188 339 G C 0.029 174.951 174.900 0.036 0.000 1.001 339 G CA -0.703 44.390 45.100 -0.011 0.000 0.693 339 G HN 0.267 nan 8.290 nan 0.000 0.479 340 L N 2.734 124.002 121.223 0.075 0.000 2.454 340 L HA 0.345 4.689 4.340 0.006 0.000 0.284 340 L C 1.512 178.555 176.870 0.288 0.000 1.139 340 L CA -0.185 54.772 54.840 0.194 0.000 0.911 340 L CB 0.966 43.218 42.059 0.321 0.000 1.262 340 L HN 0.121 nan 8.230 nan 0.000 0.453 341 V N 1.600 121.633 119.914 0.199 0.000 2.840 341 V HA -0.031 4.093 4.120 0.006 0.000 0.234 341 V C 1.532 177.747 176.094 0.202 0.000 1.159 341 V CA 0.310 62.734 62.300 0.206 0.000 1.194 341 V CB -0.176 31.710 31.823 0.105 0.000 0.971 341 V HN 0.544 nan 8.190 nan 0.000 0.494 342 D N 0.985 121.453 120.400 0.113 0.000 2.242 342 D HA -0.248 4.396 4.640 0.006 0.000 0.193 342 D C 1.966 178.306 176.300 0.066 0.000 1.005 342 D CA 1.985 56.030 54.000 0.074 0.000 0.856 342 D CB -0.591 40.232 40.800 0.038 0.000 1.001 342 D HN 0.219 nan 8.370 nan 0.000 0.452 343 L N -0.420 120.795 121.223 -0.014 0.000 2.198 343 L HA -0.249 4.094 4.340 0.006 0.000 0.218 343 L C 1.693 178.444 176.870 -0.198 0.000 1.084 343 L CA 1.725 56.463 54.840 -0.170 0.000 0.779 343 L CB -0.473 41.373 42.059 -0.355 0.000 0.890 343 L HN 0.114 nan 8.230 nan 0.000 0.439 344 F N -2.105 117.937 119.950 0.154 0.000 2.749 344 F HA 0.230 4.761 4.527 0.006 0.000 0.300 344 F C 1.487 177.374 175.800 0.146 0.000 1.103 344 F CA 0.304 58.414 58.000 0.184 0.000 1.342 344 F CB -0.225 38.854 39.000 0.132 0.000 1.098 344 F HN 0.000 nan 8.300 nan 0.000 0.586 345 S N 1.969 117.797 115.700 0.213 0.000 2.416 345 S HA 0.197 4.671 4.470 0.006 0.000 0.287 345 S C -1.686 172.863 174.600 -0.085 0.000 1.139 345 S CA -1.536 56.694 58.200 0.050 0.000 1.058 345 S CB 0.737 63.966 63.200 0.049 0.000 0.967 345 S HN -0.115 nan 8.310 nan 0.000 0.495 346 P HA -0.075 nan 4.420 nan 0.000 0.222 346 P C 0.476 177.648 177.300 -0.214 0.000 1.142 346 P CA 1.021 63.726 63.100 -0.659 0.000 0.788 346 P CB 0.241 31.448 31.700 -0.822 0.000 0.767 347 E N -0.811 119.315 120.200 -0.124 0.000 2.110 347 E HA 0.028 4.382 4.350 0.006 0.000 0.193 347 E C 1.720 178.310 176.600 -0.017 0.000 0.950 347 E CA 1.002 57.369 56.400 -0.056 0.000 0.840 347 E CB -0.486 29.187 29.700 -0.046 0.000 0.809 347 E HN 0.179 nan 8.360 nan 0.000 0.465 348 K N 0.677 121.075 120.400 -0.003 0.000 2.305 348 K HA 0.174 4.498 4.320 0.006 0.000 0.199 348 K C 0.856 177.472 176.600 0.026 0.000 1.047 348 K CA 0.130 56.426 56.287 0.015 0.000 0.976 348 K CB 0.198 32.711 32.500 0.022 0.000 0.765 348 K HN -0.057 nan 8.250 nan 0.000 0.474 349 S N 1.745 117.471 115.700 0.043 0.000 2.573 349 S HA -0.061 4.413 4.470 0.006 0.000 0.297 349 S C -0.190 174.428 174.600 0.030 0.000 1.280 349 S CA 0.363 58.594 58.200 0.051 0.000 1.061 349 S CB 0.252 63.525 63.200 0.121 0.000 0.812 349 S HN 0.030 nan 8.310 nan 0.000 0.500 350 K N 5.344 125.749 120.400 0.008 0.000 2.626 350 K HA 0.328 4.652 4.320 0.006 0.000 0.223 350 K C -1.124 175.461 176.600 -0.026 0.000 0.992 350 K CA -0.117 56.167 56.287 -0.004 0.000 1.024 350 K CB 0.943 33.443 32.500 0.001 0.000 1.225 350 K HN 0.612 nan 8.250 nan 0.000 0.498 351 L N 4.000 125.197 121.223 -0.043 0.000 2.732 351 L HA 0.232 4.576 4.340 0.006 0.000 0.246 351 L C -1.255 175.554 176.870 -0.101 0.000 1.407 351 L CA -1.220 53.569 54.840 -0.085 0.000 0.861 351 L CB 1.122 43.114 42.059 -0.112 0.000 1.161 351 L HN 0.155 nan 8.230 nan 0.000 0.510 352 P HA -0.148 nan 4.420 nan 0.000 0.216 352 P C 1.474 178.717 177.300 -0.096 0.000 1.153 352 P CA 1.338 64.397 63.100 -0.069 0.000 0.848 352 P CB 0.299 31.975 31.700 -0.040 0.000 0.787 353 G N -0.570 108.165 108.800 -0.109 0.000 2.653 353 G HA2 -0.104 3.860 3.960 0.006 0.000 0.212 353 G HA3 -0.104 3.860 3.960 0.006 0.000 0.212 353 G C 1.428 176.181 174.900 -0.245 0.000 1.138 353 G CA 0.124 45.154 45.100 -0.117 0.000 0.782 353 G HN 0.274 nan 8.290 nan 0.000 0.535 354 I N -0.343 120.016 120.570 -0.352 0.000 2.405 354 I HA 0.045 4.219 4.170 0.006 0.000 0.236 354 I C 0.733 176.816 176.117 -0.057 0.000 1.071 354 I CA 0.283 61.292 61.300 -0.486 0.000 1.398 354 I CB -0.180 37.548 38.000 -0.453 0.000 1.162 354 I HN -0.188 nan 8.210 nan 0.000 0.432 355 V N 1.699 121.550 119.914 -0.105 0.000 2.461 355 V HA 0.271 4.395 4.120 0.006 0.000 0.275 355 V C 0.925 176.939 176.094 -0.132 0.000 1.047 355 V CA 0.116 62.295 62.300 -0.203 0.000 0.955 355 V CB 1.149 32.804 31.823 -0.281 0.000 0.988 355 V HN 0.378 nan 8.190 nan 0.000 0.471 356 A N 4.396 127.146 122.820 -0.117 0.000 1.871 356 A HA 0.217 4.541 4.320 0.006 0.000 0.211 356 A C 0.720 178.253 177.584 -0.083 0.000 1.207 356 A CA 0.570 52.566 52.037 -0.069 0.000 0.620 356 A CB 0.127 19.107 19.000 -0.034 0.000 0.860 356 A HN 0.787 nan 8.150 nan 0.000 0.450 357 E N -2.737 117.394 120.200 -0.114 0.000 2.291 357 E HA 0.491 4.845 4.350 0.006 0.000 0.276 357 E C -0.027 176.492 176.600 -0.135 0.000 0.896 357 E CA 0.013 56.354 56.400 -0.099 0.000 0.774 357 E CB 1.947 31.606 29.700 -0.069 0.000 1.227 357 E HN 0.439 nan 8.360 nan 0.000 0.413 358 G N 3.138 111.870 108.800 -0.114 0.000 2.191 358 G HA2 -0.061 3.903 3.960 0.006 0.000 0.090 358 G HA3 -0.061 3.903 3.960 0.006 0.000 0.090 358 G C -0.808 174.039 174.900 -0.088 0.000 1.980 358 G CA -0.664 44.365 45.100 -0.117 0.000 1.116 358 G HN 0.319 nan 8.290 nan 0.000 0.313 359 R N 2.066 122.504 120.500 -0.103 0.000 2.850 359 R HA 0.375 4.718 4.340 0.006 0.000 0.266 359 R C -1.222 175.041 176.300 -0.061 0.000 1.782 359 R CA -0.342 55.721 56.100 -0.061 0.000 1.310 359 R CB 1.407 31.684 30.300 -0.038 0.000 1.337 359 R HN 0.610 nan 8.270 nan 0.000 0.546 360 D N -0.050 120.319 120.400 -0.051 0.000 2.453 360 D HA 0.179 4.823 4.640 0.006 0.000 0.282 360 D C -0.185 176.112 176.300 -0.006 0.000 1.222 360 D CA -0.364 53.611 54.000 -0.042 0.000 1.079 360 D CB 0.297 41.069 40.800 -0.048 0.000 1.128 360 D HN 0.252 nan 8.370 nan 0.000 0.568 361 D N -1.942 118.460 120.400 0.003 0.000 2.760 361 D HA -0.099 4.545 4.640 0.006 0.000 0.244 361 D C -0.957 175.398 176.300 0.091 0.000 1.096 361 D CA 0.115 54.138 54.000 0.038 0.000 0.716 361 D CB -1.392 39.431 40.800 0.038 0.000 1.075 361 D HN 0.138 nan 8.370 nan 0.000 0.434 362 L N 0.674 121.926 121.223 0.049 0.000 2.439 362 L HA 0.622 4.966 4.340 0.006 0.000 0.261 362 L C 0.369 177.302 176.870 0.104 0.000 1.153 362 L CA -0.263 54.593 54.840 0.027 0.000 0.808 362 L CB 0.160 42.183 42.059 -0.060 0.000 1.126 362 L HN 0.275 nan 8.230 nan 0.000 0.460 363 Y N -1.436 118.841 120.300 -0.040 0.000 2.624 363 Y HA 0.679 5.233 4.550 0.006 0.000 0.334 363 Y C -1.288 174.584 175.900 -0.046 0.000 1.155 363 Y CA -1.598 56.475 58.100 -0.044 0.000 1.046 363 Y CB 0.825 39.282 38.460 -0.006 0.000 1.316 363 Y HN 0.117 nan 8.280 nan 0.000 0.457 364 V N 3.434 123.281 119.914 -0.113 0.000 2.385 364 V HA 0.155 4.279 4.120 0.006 0.000 0.269 364 V C 1.064 177.214 176.094 0.093 0.000 1.043 364 V CA 0.542 62.747 62.300 -0.158 0.000 0.906 364 V CB 0.579 32.266 31.823 -0.227 0.000 0.995 364 V HN 1.051 nan 8.190 nan 0.000 0.467 365 S N 3.175 118.832 115.700 -0.072 0.000 2.348 365 S HA -0.069 4.404 4.470 0.006 0.000 0.221 365 S C 0.584 175.328 174.600 0.240 0.000 1.033 365 S CA 1.186 59.484 58.200 0.164 0.000 1.010 365 S CB 0.085 63.316 63.200 0.051 0.000 0.891 365 S HN 0.801 nan 8.310 nan 0.000 0.442 366 D N -0.867 119.629 120.400 0.160 0.000 2.713 366 D HA 0.630 5.274 4.640 0.006 0.000 0.306 366 D C -2.061 174.212 176.300 -0.045 0.000 1.299 366 D CA -0.039 53.984 54.000 0.038 0.000 0.823 366 D CB 1.777 42.476 40.800 -0.169 0.000 1.353 366 D HN 0.476 nan 8.370 nan 0.000 0.447 367 A N 0.976 123.616 122.820 -0.299 0.000 2.459 367 A HA 0.671 4.995 4.320 0.006 0.000 0.296 367 A C -1.716 175.614 177.584 -0.423 0.000 1.039 367 A CA -0.533 51.427 52.037 -0.128 0.000 0.698 367 A CB 0.671 19.873 19.000 0.337 0.000 1.261 367 A HN 0.269 nan 8.150 nan 0.000 0.405 368 F N 0.468 120.502 119.950 0.141 0.000 2.561 368 F HA 0.750 5.281 4.527 0.006 0.000 0.321 368 F C 0.231 176.065 175.800 0.058 0.000 1.065 368 F CA -0.422 57.626 58.000 0.080 0.000 0.934 368 F CB 2.088 41.106 39.000 0.030 0.000 1.215 368 F HN 0.793 nan 8.300 nan 0.000 0.471 369 H N 0.807 119.849 119.070 -0.047 0.000 2.928 369 H HA 0.667 5.227 4.556 0.006 0.000 0.371 369 H C -1.575 173.589 175.328 -0.274 0.000 1.186 369 H CA -1.018 54.917 56.048 -0.188 0.000 1.134 369 H CB 2.079 31.634 29.762 -0.345 0.000 1.824 369 H HN 0.634 nan 8.280 nan 0.000 0.554 370 K N 2.694 122.747 120.400 -0.577 0.000 2.575 370 K HA 0.672 4.996 4.320 0.006 0.000 0.255 370 K C -2.035 174.461 176.600 -0.174 0.000 0.953 370 K CA -0.439 55.721 56.287 -0.213 0.000 0.840 370 K CB 1.430 33.888 32.500 -0.069 0.000 1.303 370 K HN 0.681 nan 8.250 nan 0.000 0.438 371 A N 2.725 125.632 122.820 0.144 0.000 2.435 371 A HA 0.905 5.229 4.320 0.006 0.000 0.296 371 A C -1.839 176.095 177.584 0.585 0.000 1.147 371 A CA -0.616 51.630 52.037 0.348 0.000 0.775 371 A CB 1.088 20.296 19.000 0.347 0.000 1.340 371 A HN 0.595 nan 8.150 nan 0.000 0.427 372 F N 0.408 120.653 119.950 0.493 0.000 2.604 372 F HA 0.660 5.191 4.527 0.007 0.000 0.316 372 F C -2.148 173.773 175.800 0.201 0.000 1.136 372 F CA -1.031 57.151 58.000 0.302 0.000 0.989 372 F CB 1.784 40.870 39.000 0.144 0.000 1.258 372 F HN 0.561 nan 8.300 nan 0.000 0.451 373 L N 5.205 126.107 121.223 -0.534 0.000 2.410 373 L HA 0.641 4.985 4.340 0.006 0.000 0.270 373 L C -1.528 174.764 176.870 -0.963 0.000 0.983 373 L CA -0.262 54.137 54.840 -0.735 0.000 0.822 373 L CB 1.948 43.162 42.059 -1.408 0.000 1.285 373 L HN 0.776 nan 8.230 nan 0.000 0.409 374 E N 3.530 123.352 120.200 -0.630 0.000 2.256 374 E HA 0.722 5.076 4.350 0.006 0.000 0.268 374 E C -1.999 174.352 176.600 -0.415 0.000 0.877 374 E CA -0.667 55.378 56.400 -0.593 0.000 0.757 374 E CB 2.063 31.599 29.700 -0.274 0.000 1.183 374 E HN 0.470 nan 8.360 nan 0.000 0.418 375 V N 4.601 124.209 119.914 -0.511 0.000 2.588 375 V HA 0.535 4.659 4.120 0.006 0.000 0.304 375 V C -0.447 175.664 176.094 0.029 0.000 1.042 375 V CA -0.711 61.509 62.300 -0.134 0.000 0.877 375 V CB 1.554 33.387 31.823 0.017 0.000 0.996 375 V HN 0.888 nan 8.190 nan 0.000 0.425 376 N N 2.376 121.205 118.700 0.215 0.000 3.506 376 N HA 0.377 5.121 4.740 0.006 0.000 0.331 376 N C 0.392 176.177 175.510 0.458 0.000 1.631 376 N CA -0.762 52.422 53.050 0.224 0.000 0.786 376 N CB 0.872 39.435 38.487 0.127 0.000 2.023 376 N HN 0.224 nan 8.380 nan 0.000 0.621 377 E N -0.184 120.237 120.200 0.367 0.000 2.077 377 E HA -0.093 4.260 4.350 0.006 0.000 0.193 377 E C 1.043 178.024 176.600 0.635 0.000 0.989 377 E CA 1.635 58.358 56.400 0.538 0.000 0.800 377 E CB -0.177 29.721 29.700 0.330 0.000 0.746 377 E HN 0.621 nan 8.360 nan 0.000 0.452 378 E N -0.489 119.944 120.200 0.389 0.000 2.047 378 E HA 0.087 4.440 4.350 0.006 0.000 0.191 378 E C 1.067 177.800 176.600 0.221 0.000 0.987 378 E CA 1.271 57.838 56.400 0.278 0.000 0.799 378 E CB -0.110 29.670 29.700 0.133 0.000 0.752 378 E HN 0.273 nan 8.360 nan 0.000 0.449 379 G N -1.530 107.259 108.800 -0.019 0.000 2.485 379 G HA2 0.365 4.329 3.960 0.006 0.000 0.182 379 G HA3 0.365 4.329 3.960 0.006 0.000 0.182 379 G C -1.156 173.413 174.900 -0.552 0.000 1.172 379 G CA -0.047 44.561 45.100 -0.820 0.000 0.996 379 G HN 0.072 nan 8.290 nan 0.000 0.496 380 S N -0.678 114.802 115.700 -0.367 0.000 2.569 380 S HA 0.690 5.164 4.470 0.006 0.000 0.280 380 S C -1.651 172.792 174.600 -0.262 0.000 1.111 380 S CA -0.418 57.693 58.200 -0.148 0.000 0.887 380 S CB 1.946 65.232 63.200 0.143 0.000 1.095 380 S HN 0.645 nan 8.310 nan 0.000 0.476 381 E N 1.481 121.576 120.200 -0.175 0.000 2.265 381 E HA 0.642 4.996 4.350 0.006 0.000 0.262 381 E C -1.498 175.055 176.600 -0.078 0.000 0.889 381 E CA -0.625 55.642 56.400 -0.222 0.000 0.789 381 E CB 1.541 31.182 29.700 -0.097 0.000 1.221 381 E HN 0.699 nan 8.360 nan 0.000 0.414 382 A N 2.720 125.432 122.820 -0.180 0.000 2.414 382 A HA 0.922 5.246 4.320 0.006 0.000 0.306 382 A C -1.314 176.142 177.584 -0.214 0.000 1.054 382 A CA -0.211 51.685 52.037 -0.234 0.000 0.724 382 A CB 1.805 20.276 19.000 -0.882 0.000 1.267 382 A HN 0.585 nan 8.150 nan 0.000 0.418 383 A N 0.454 123.389 122.820 0.191 0.000 2.539 383 A HA 1.021 5.345 4.320 0.006 0.000 0.296 383 A C -0.398 177.475 177.584 0.483 0.000 1.073 383 A CA 0.018 52.250 52.037 0.325 0.000 0.700 383 A CB 1.494 20.572 19.000 0.131 0.000 1.296 383 A HN 2.650 nan 8.150 nan 0.000 0.405 384 A N -0.058 122.976 122.820 0.357 0.000 2.599 384 A HA 0.957 5.281 4.320 0.006 0.000 0.290 384 A C -0.571 177.011 177.584 -0.003 0.000 1.101 384 A CA 0.091 52.210 52.037 0.135 0.000 0.674 384 A CB 1.208 20.301 19.000 0.156 0.000 1.277 384 A HN 2.255 nan 8.150 nan 0.000 0.419 385 S N -0.946 114.632 115.700 -0.203 0.000 2.537 385 S HA 0.772 5.246 4.470 0.006 0.000 0.271 385 S C -1.245 173.288 174.600 -0.111 0.000 1.148 385 S CA -0.087 58.060 58.200 -0.089 0.000 0.868 385 S CB 1.765 64.950 63.200 -0.025 0.000 1.115 385 S HN 1.156 nan 8.310 nan 0.000 0.461 386 T N 2.664 117.257 114.554 0.065 0.000 2.861 386 T HA 0.808 5.162 4.350 0.006 0.000 0.287 386 T C -0.962 173.801 174.700 0.105 0.000 1.003 386 T CA -0.434 61.757 62.100 0.151 0.000 0.977 386 T CB 1.537 70.551 68.868 0.243 0.000 0.996 386 T HN 0.997 nan 8.240 nan 0.000 0.448 387 A N 2.710 125.609 122.820 0.132 0.000 2.357 387 A HA 0.722 5.046 4.320 0.006 0.000 0.295 387 A C -0.702 176.938 177.584 0.095 0.000 1.121 387 A CA -0.599 51.500 52.037 0.103 0.000 0.742 387 A CB 0.960 20.034 19.000 0.122 0.000 1.181 387 A HN 0.664 nan 8.150 nan 0.000 0.454 388 V N 2.964 122.846 119.914 -0.054 0.000 2.407 388 V HA 0.420 4.544 4.120 0.006 0.000 0.278 388 V C -0.092 175.959 176.094 -0.071 0.000 1.037 388 V CA -0.448 61.767 62.300 -0.142 0.000 0.900 388 V CB 1.463 33.030 31.823 -0.427 0.000 0.983 388 V HN 0.613 nan 8.190 nan 0.000 0.459 389 V N 6.038 125.937 119.914 -0.024 0.000 2.384 389 V HA 0.445 4.568 4.120 0.006 0.000 0.287 389 V C -0.105 175.898 176.094 -0.150 0.000 1.020 389 V CA -0.563 61.703 62.300 -0.056 0.000 0.850 389 V CB 1.624 33.476 31.823 0.048 0.000 0.987 389 V HN 0.571 nan 8.190 nan 0.000 0.436 390 I N 3.950 124.396 120.570 -0.206 0.000 2.365 390 I HA 0.415 4.588 4.170 0.006 0.000 0.291 390 I C 1.119 177.019 176.117 -0.362 0.000 1.004 390 I CA -0.134 60.993 61.300 -0.287 0.000 1.311 390 I CB 0.682 38.568 38.000 -0.189 0.000 1.401 390 I HN 0.932 nan 8.210 nan 0.000 0.491 391 A N 4.385 126.826 122.820 -0.630 0.000 2.798 391 A HA -0.144 4.180 4.320 0.006 0.000 0.282 391 A C 1.004 178.439 177.584 -0.248 0.000 1.464 391 A CA 1.112 52.818 52.037 -0.552 0.000 0.844 391 A CB -2.054 16.791 19.000 -0.258 0.000 1.006 391 A HN 1.002 nan 8.150 nan 0.000 0.577 392 G N -1.227 107.443 108.800 -0.216 0.000 2.606 392 G HA2 0.549 4.513 3.960 0.006 0.000 0.262 392 G HA3 0.549 4.513 3.960 0.006 0.000 0.262 392 G C 0.006 174.923 174.900 0.028 0.000 1.394 392 G CA -0.156 44.886 45.100 -0.097 0.000 1.044 392 G HN 0.894 nan 8.290 nan 0.000 0.553 393 R N -0.648 119.885 120.500 0.055 0.000 2.368 393 R HA 0.450 4.794 4.340 0.006 0.000 0.302 393 R C -0.370 176.018 176.300 0.147 0.000 1.002 393 R CA -0.269 55.892 56.100 0.102 0.000 0.929 393 R CB 1.162 31.508 30.300 0.076 0.000 1.073 393 R HN 0.346 nan 8.270 nan 0.000 0.464 394 S N 5.893 121.687 115.700 0.156 0.000 3.036 394 S HA 0.206 4.680 4.470 0.006 0.000 0.301 394 S C 0.220 174.910 174.600 0.149 0.000 1.205 394 S CA -0.666 57.631 58.200 0.161 0.000 0.999 394 S CB -0.300 62.985 63.200 0.141 0.000 1.337 394 S HN 0.522 nan 8.310 nan 0.000 0.515 395 L N 4.538 125.888 121.223 0.210 0.000 2.540 395 L HA 0.088 4.432 4.340 0.006 0.000 0.276 395 L C 1.295 178.260 176.870 0.159 0.000 1.212 395 L CA -0.240 54.712 54.840 0.187 0.000 0.893 395 L CB 0.190 42.392 42.059 0.238 0.000 1.138 395 L HN 0.610 nan 8.230 nan 0.000 0.491 396 N N 5.036 123.803 118.700 0.111 0.000 2.412 396 N HA 0.029 4.773 4.740 0.006 0.000 0.258 396 N C -2.287 173.288 175.510 0.107 0.000 1.236 396 N CA -0.949 52.153 53.050 0.086 0.000 0.882 396 N CB 0.704 39.229 38.487 0.064 0.000 1.066 396 N HN 0.258 nan 8.380 nan 0.000 0.465 397 P HA -0.096 nan 4.420 nan 0.000 0.255 397 P C -0.287 177.086 177.300 0.122 0.000 1.151 397 P CA 0.579 63.745 63.100 0.110 0.000 0.767 397 P CB 0.096 31.836 31.700 0.067 0.000 0.736 398 N N 3.404 122.204 118.700 0.167 0.000 2.290 398 N HA 0.396 5.140 4.740 0.006 0.000 0.269 398 N C 0.204 175.794 175.510 0.133 0.000 1.295 398 N CA -0.650 52.489 53.050 0.148 0.000 0.932 398 N CB 0.374 38.966 38.487 0.176 0.000 1.128 398 N HN 0.448 nan 8.380 nan 0.000 0.532 399 R N -2.438 118.134 120.500 0.121 0.000 3.197 399 R HA 0.362 4.705 4.340 0.006 0.000 0.261 399 R C -2.463 173.895 176.300 0.097 0.000 1.015 399 R CA -0.789 55.376 56.100 0.108 0.000 0.949 399 R CB 0.436 30.782 30.300 0.077 0.000 1.256 399 R HN 0.288 nan 8.270 nan 0.000 0.514 400 V N 1.690 121.665 119.914 0.102 0.000 2.707 400 V HA 0.261 4.385 4.120 0.006 0.000 0.271 400 V C -0.430 175.730 176.094 0.109 0.000 1.013 400 V CA -0.562 61.797 62.300 0.098 0.000 0.908 400 V CB 1.710 33.601 31.823 0.113 0.000 1.051 400 V HN 0.916 nan 8.190 nan 0.000 0.476 401 T N 3.405 118.016 114.554 0.094 0.000 2.881 401 T HA 0.709 5.063 4.350 0.006 0.000 0.278 401 T C -0.370 174.456 174.700 0.209 0.000 0.982 401 T CA -0.339 61.832 62.100 0.118 0.000 0.989 401 T CB 1.391 70.306 68.868 0.079 0.000 1.058 401 T HN 0.615 nan 8.240 nan 0.000 0.529 402 F N 1.069 121.020 119.950 0.002 0.000 3.450 402 F HA 0.155 4.687 4.527 0.008 0.000 0.478 402 F C -0.450 175.344 175.800 -0.010 0.000 0.796 402 F CA -1.074 56.924 58.000 -0.004 0.000 1.413 402 F CB 0.146 39.144 39.000 -0.003 0.000 2.991 402 F HN 0.448 nan 8.300 nan 0.000 0.646 403 K N 2.446 122.980 120.400 0.224 0.000 2.569 403 K HA 0.291 4.614 4.320 0.006 0.000 0.280 403 K C 0.414 176.987 176.600 -0.044 0.000 0.984 403 K CA 0.951 57.273 56.287 0.058 0.000 1.064 403 K CB 0.946 33.482 32.500 0.059 0.000 0.866 403 K HN 0.488 nan 8.250 nan 0.000 0.492 404 A N 3.295 126.054 122.820 -0.102 0.000 3.426 404 A HA 0.516 4.840 4.320 0.006 0.000 0.185 404 A C -0.508 177.100 177.584 0.040 0.000 1.057 404 A CA -0.189 51.799 52.037 -0.083 0.000 1.261 404 A CB 0.852 19.734 19.000 -0.198 0.000 1.676 404 A HN 0.848 nan 8.150 nan 0.000 0.658 405 N N -2.302 116.492 118.700 0.157 0.000 3.533 405 N HA 0.280 5.024 4.740 0.006 0.000 0.229 405 N C -1.460 174.166 175.510 0.192 0.000 1.418 405 N CA -0.920 52.197 53.050 0.111 0.000 0.880 405 N CB 0.673 39.159 38.487 -0.002 0.000 1.415 405 N HN 0.380 nan 8.380 nan 0.000 0.491 406 R N -0.870 119.685 120.500 0.093 0.000 3.109 406 R HA -0.107 4.237 4.340 0.006 0.000 0.241 406 R C -2.500 173.901 176.300 0.169 0.000 0.882 406 R CA 0.404 56.569 56.100 0.108 0.000 0.604 406 R CB -2.476 27.868 30.300 0.073 0.000 1.040 406 R HN 0.454 nan 8.270 nan 0.000 0.480 407 P HA 0.372 nan 4.420 nan 0.000 0.276 407 P C -0.271 177.101 177.300 0.120 0.000 1.252 407 P CA -0.322 62.785 63.100 0.012 0.000 0.802 407 P CB 0.644 32.308 31.700 -0.060 0.000 1.035 408 F N -1.703 118.231 119.950 -0.027 0.000 2.599 408 F HA 0.579 5.112 4.527 0.009 0.000 0.311 408 F C -0.908 174.891 175.800 -0.001 0.000 1.076 408 F CA -1.579 56.413 58.000 -0.015 0.000 0.937 408 F CB 0.663 39.645 39.000 -0.031 0.000 1.282 408 F HN 0.008 nan 8.300 nan 0.000 0.460 409 L N 2.586 123.935 121.223 0.209 0.000 2.418 409 L HA 0.726 5.069 4.340 0.006 0.000 0.265 409 L C -0.444 176.536 176.870 0.184 0.000 1.143 409 L CA -1.034 53.851 54.840 0.075 0.000 0.809 409 L CB 1.448 43.571 42.059 0.107 0.000 1.124 409 L HN 0.591 nan 8.230 nan 0.000 0.456 410 V N 1.255 121.149 119.914 -0.033 0.000 2.876 410 V HA 0.566 4.689 4.120 0.006 0.000 0.312 410 V C -0.938 175.110 176.094 -0.077 0.000 1.085 410 V CA -0.710 61.683 62.300 0.154 0.000 0.945 410 V CB 2.126 34.090 31.823 0.235 0.000 1.017 410 V HN 0.433 nan 8.190 nan 0.000 0.428 411 F N 2.407 122.529 119.950 0.286 0.000 2.608 411 F HA 0.676 5.206 4.527 0.006 0.000 0.309 411 F C -0.444 175.530 175.800 0.289 0.000 1.103 411 F CA -0.522 57.634 58.000 0.260 0.000 0.954 411 F CB 2.071 41.187 39.000 0.193 0.000 1.267 411 F HN 0.209 nan 8.300 nan 0.000 0.444 412 I N 3.978 124.830 120.570 0.470 0.000 2.448 412 I HA 0.457 4.631 4.170 0.006 0.000 0.281 412 I C -0.697 175.568 176.117 0.246 0.000 1.027 412 I CA -0.552 60.941 61.300 0.321 0.000 1.111 412 I CB 1.565 39.674 38.000 0.182 0.000 1.236 412 I HN 0.659 nan 8.210 nan 0.000 0.452 413 R N 4.279 124.903 120.500 0.206 0.000 2.919 413 R HA 0.603 4.947 4.340 0.006 0.000 0.260 413 R C -0.866 175.492 176.300 0.095 0.000 1.067 413 R CA -0.854 55.331 56.100 0.141 0.000 1.003 413 R CB 2.169 32.552 30.300 0.138 0.000 1.192 413 R HN 0.241 nan 8.270 nan 0.000 0.488 414 E N 1.979 122.219 120.200 0.066 0.000 2.092 414 E HA 0.135 4.489 4.350 0.006 0.000 0.271 414 E C 0.697 177.338 176.600 0.069 0.000 0.919 414 E CA -0.406 56.027 56.400 0.055 0.000 0.760 414 E CB 1.882 31.592 29.700 0.017 0.000 1.106 414 E HN 0.588 nan 8.360 nan 0.000 0.408 415 V N 6.309 126.274 119.914 0.085 0.000 2.261 415 V HA -0.168 3.955 4.120 0.006 0.000 0.246 415 V C -0.866 175.274 176.094 0.077 0.000 1.047 415 V CA 1.543 63.893 62.300 0.084 0.000 1.015 415 V CB -1.385 30.492 31.823 0.090 0.000 0.642 415 V HN 0.524 nan 8.190 nan 0.000 0.446 416 P HA -0.136 nan 4.420 nan 0.000 0.215 416 P C 1.659 179.004 177.300 0.075 0.000 1.157 416 P CA 1.503 64.639 63.100 0.060 0.000 0.874 416 P CB -0.082 31.647 31.700 0.049 0.000 0.790 417 L N -2.527 118.737 121.223 0.068 0.000 2.592 417 L HA 0.154 4.498 4.340 0.006 0.000 0.227 417 L C 0.484 177.407 176.870 0.088 0.000 1.127 417 L CA 0.079 54.964 54.840 0.075 0.000 0.884 417 L CB -1.095 40.982 42.059 0.029 0.000 1.065 417 L HN 0.028 nan 8.230 nan 0.000 0.457 418 N N 0.424 119.179 118.700 0.090 0.000 2.740 418 N HA -0.172 4.572 4.740 0.006 0.000 0.248 418 N C -0.671 174.853 175.510 0.023 0.000 1.062 418 N CA 0.914 54.010 53.050 0.077 0.000 0.704 418 N CB -0.902 37.669 38.487 0.139 0.000 0.968 418 N HN 0.183 nan 8.380 nan 0.000 0.547 419 T N 1.230 115.801 114.554 0.028 0.000 2.786 419 T HA 0.437 4.791 4.350 0.006 0.000 0.283 419 T C 0.575 175.305 174.700 0.051 0.000 0.992 419 T CA -0.539 61.572 62.100 0.019 0.000 0.954 419 T CB 0.853 69.722 68.868 0.002 0.000 0.934 419 T HN 0.194 nan 8.240 nan 0.000 0.440 420 I N 4.711 125.323 120.570 0.071 0.000 2.329 420 I HA 0.170 4.344 4.170 0.006 0.000 0.295 420 I C 1.292 177.460 176.117 0.085 0.000 1.109 420 I CA -0.098 61.284 61.300 0.136 0.000 1.297 420 I CB 0.265 38.378 38.000 0.190 0.000 1.433 420 I HN 0.704 nan 8.210 nan 0.000 0.509 421 I N 5.351 125.962 120.570 0.068 0.000 2.333 421 I HA -0.054 4.120 4.170 0.006 0.000 0.246 421 I C 0.212 176.128 176.117 -0.334 0.000 1.106 421 I CA 1.317 62.559 61.300 -0.095 0.000 1.411 421 I CB 0.019 38.019 38.000 -0.001 0.000 1.082 421 I HN 0.312 nan 8.210 nan 0.000 0.420 422 F N 0.164 120.150 119.950 0.060 0.000 2.613 422 F HA 0.601 5.131 4.527 0.006 0.000 0.310 422 F C -0.124 175.700 175.800 0.041 0.000 1.085 422 F CA -0.945 57.046 58.000 -0.016 0.000 0.945 422 F CB 1.804 40.816 39.000 0.019 0.000 1.298 422 F HN -0.209 nan 8.300 nan 0.000 0.455 423 M N 0.926 120.594 119.600 0.113 0.000 2.644 423 M HA 0.981 5.465 4.480 0.006 0.000 0.273 423 M C -0.940 175.380 176.300 0.033 0.000 1.253 423 M CA -0.468 54.782 55.300 -0.083 0.000 0.852 423 M CB 2.680 35.122 32.600 -0.263 0.000 1.708 423 M HN 0.893 nan 8.290 nan 0.000 0.471 424 G N 0.853 109.586 108.800 -0.112 0.000 2.320 424 G HA2 0.332 4.295 3.960 0.006 0.000 0.297 424 G HA3 0.332 4.295 3.960 0.006 0.000 0.297 424 G C -2.403 172.510 174.900 0.021 0.000 1.344 424 G CA -1.065 44.135 45.100 0.165 0.000 0.851 424 G HN 0.892 nan 8.290 nan 0.000 0.567 425 R N 0.544 121.105 120.500 0.101 0.000 2.310 425 R HA 0.527 4.871 4.340 0.006 0.000 0.316 425 R C -0.774 175.404 176.300 -0.204 0.000 1.004 425 R CA -0.452 55.620 56.100 -0.047 0.000 0.900 425 R CB 1.286 31.626 30.300 0.067 0.000 1.152 425 R HN 0.347 nan 8.270 nan 0.000 0.513 426 V N 4.964 124.568 119.914 -0.516 0.000 2.397 426 V HA 0.141 4.265 4.120 0.006 0.000 0.262 426 V C 0.958 176.606 176.094 -0.743 0.000 1.047 426 V CA 0.475 62.340 62.300 -0.726 0.000 1.003 426 V CB 0.832 31.896 31.823 -1.265 0.000 1.037 426 V HN 0.929 nan 8.190 nan 0.000 0.480 427 A N 4.639 127.197 122.820 -0.437 0.000 2.127 427 A HA 0.220 4.544 4.320 0.006 0.000 0.204 427 A C 0.975 178.320 177.584 -0.397 0.000 1.243 427 A CA 0.057 51.903 52.037 -0.319 0.000 0.887 427 A CB 0.016 18.904 19.000 -0.187 0.000 0.933 427 A HN 0.692 nan 8.150 nan 0.000 0.479 428 N N 0.394 118.812 118.700 -0.471 0.000 2.564 428 N HA 0.423 5.166 4.740 0.006 0.000 0.248 428 N C -2.537 172.626 175.510 -0.579 0.000 0.986 428 N CA -1.540 51.140 53.050 -0.617 0.000 0.921 428 N CB 1.582 39.714 38.487 -0.592 0.000 1.136 428 N HN -0.111 nan 8.380 nan 0.000 0.509 429 P HA 0.108 nan 4.420 nan 0.000 0.245 429 P C 0.216 177.335 177.300 -0.303 0.000 1.212 429 P CA 0.283 63.071 63.100 -0.520 0.000 0.774 429 P CB 0.246 31.607 31.700 -0.563 0.000 0.999 430 c N -1.117 117.278 118.600 -0.342 0.000 2.539 430 c HA 0.108 4.681 4.570 0.006 0.000 0.268 430 c C 1.324 175.386 174.090 -0.047 0.000 1.395 430 c CA -0.104 56.141 56.329 -0.140 0.000 1.757 430 c CB -1.567 40.885 42.510 -0.097 0.000 1.851 430 c HN 0.249 nan 8.230 nan 0.000 0.545 431 V N 0.000 119.879 119.914 -0.058 0.000 2.409 431 V HA 0.000 4.124 4.120 0.006 0.000 0.244 431 V CA 0.000 62.300 62.300 0.001 0.000 1.235 431 V CB 0.000 31.829 31.823 0.011 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556