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 1hc1_1_E DATA FIRST_RESID 5 DATA SEQUENCE TGNAQKQQDI NHLLDKIYEP TKYPDLKDIA ENFNPLGDTS IYNDHGAAVE DATA SEQUENCE TLMKELNDHR LLEQRHWYSL FNTRQRKEAL MLFAVLNQcK EWYcFRSNAA DATA SEQUENCE YFRERMNEGE FVYALYVSVI HSKLGDGIVL PPLYQITPHM FTNSEVIDKA DATA SEQUENCE YSAKMTQKPG TFNVSFXXXX KNREQRVAYF GEDIGMNIHH VTWHMDFPFW DATA SEQUENCE WEDSYGYHLD RKGELFFWVH HQLTARFDFE RLSNWLDPVD ELHWDRIIRE DATA SEQUENCE GFAPLTSYKY GGEFPVRPDN IHFEDVDGVA HVHDLEITES RIHEAIDHGY DATA SEQUENCE ITDSDGHTID IRQPKGIELL GDIIESSKYS SNVQYYGSLH NTAHVMLGRQ DATA SEQUENCE GDPHGKFNLP PGVMEHFETA TRDPSFFRLH KYMDNIFKKH TDSFPPYTHD DATA SEQUENCE NLEFSGMVVN GVAIDGELIT FFDEFQYSLI NAVDSGENIE DVEINARVHR DATA SEQUENCE LNHNEFTYKI TMSNNNDGER LATFRIFLcP IEDNNGITLT LDEARWFcIE DATA SEQUENCE LDKFFQKVPS GPETIERSSK DSSVTVPDMP SFQSLKEQAD NAVNGGXXLD DATA SEQUENCE LSAYERScGI PDRMLLPKSK PEGMEFNLYV AVTDGDKDTE GHXXXXXXXX DATA SEQUENCE XHAQcGVHGE AYPDNRPLGY PLERRIPDER VIDGVSNIKH VVVKIVHHL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.596 174.700 -0.174 0.000 1.109 5 T CA 0.000 62.006 62.100 -0.156 0.000 1.349 5 T CB 0.000 68.781 68.868 -0.144 0.000 0.612 6 G N 1.464 110.144 108.800 -0.200 0.000 2.344 6 G HA2 0.143 4.102 3.960 -0.002 0.000 0.215 6 G HA3 0.143 4.102 3.960 -0.002 0.000 0.215 6 G C 0.012 174.775 174.900 -0.228 0.000 1.293 6 G CA 1.006 46.007 45.100 -0.166 0.000 1.305 6 G HN 1.763 nan 8.290 nan 0.000 0.484 7 N N -2.447 116.109 118.700 -0.240 0.000 2.494 7 N HA 0.242 4.981 4.740 -0.002 0.000 0.295 7 N C 1.618 177.015 175.510 -0.188 0.000 1.001 7 N CA 1.519 54.411 53.050 -0.262 0.000 1.691 7 N CB -0.857 37.496 38.487 -0.223 0.000 2.217 7 N HN 1.695 nan 8.380 nan 0.000 1.217 8 A N -0.211 122.532 122.820 -0.129 0.000 2.277 8 A HA 0.031 4.350 4.320 -0.002 0.000 0.208 8 A C 1.546 179.077 177.584 -0.089 0.000 1.202 8 A CA 1.098 53.083 52.037 -0.088 0.000 0.762 8 A CB -0.384 18.579 19.000 -0.061 0.000 0.770 8 A HN 0.455 nan 8.150 nan 0.000 0.487 9 Q N -0.762 118.964 119.800 -0.123 0.000 2.642 9 Q HA 0.081 4.420 4.340 -0.002 0.000 0.202 9 Q C 1.606 177.553 176.000 -0.089 0.000 0.845 9 Q CA 0.517 56.265 55.803 -0.093 0.000 0.873 9 Q CB -0.350 28.329 28.738 -0.098 0.000 1.190 9 Q HN 0.617 nan 8.270 nan 0.000 0.642 10 K N 1.258 121.458 120.400 -0.333 0.000 2.034 10 K HA -0.275 4.044 4.320 -0.002 0.000 0.214 10 K C 2.117 178.684 176.600 -0.055 0.000 1.051 10 K CA 2.032 57.993 56.287 -0.544 0.000 0.931 10 K CB -0.162 31.518 32.500 -1.366 0.000 0.715 10 K HN 0.068 nan 8.250 nan 0.000 0.446 11 Q N 1.483 121.197 119.800 -0.144 0.000 2.014 11 Q HA -0.286 4.053 4.340 -0.002 0.000 0.207 11 Q C 2.179 178.151 176.000 -0.047 0.000 0.993 11 Q CA 2.356 58.119 55.803 -0.068 0.000 0.850 11 Q CB -0.303 28.390 28.738 -0.076 0.000 0.916 11 Q HN 0.359 nan 8.270 nan 0.000 0.417 12 Q N -0.103 119.638 119.800 -0.099 0.000 2.029 12 Q HA -0.269 4.070 4.340 -0.002 0.000 0.209 12 Q C 1.663 177.464 176.000 -0.332 0.000 0.999 12 Q CA 2.301 57.960 55.803 -0.240 0.000 0.857 12 Q CB -0.379 28.219 28.738 -0.233 0.000 0.926 12 Q HN 0.546 nan 8.270 nan 0.000 0.415 13 D N -0.096 120.242 120.400 -0.103 0.000 2.154 13 D HA -0.214 4.425 4.640 -0.002 0.000 0.190 13 D C 1.974 178.301 176.300 0.045 0.000 1.003 13 D CA 1.667 55.678 54.000 0.017 0.000 0.849 13 D CB -0.213 40.745 40.800 0.264 0.000 0.942 13 D HN 0.293 nan 8.370 nan 0.000 0.446 14 I N 2.201 122.842 120.570 0.117 0.000 2.091 14 I HA -0.282 3.887 4.170 -0.002 0.000 0.239 14 I C 2.100 178.287 176.117 0.116 0.000 1.061 14 I CA 1.159 62.529 61.300 0.117 0.000 1.317 14 I CB -0.677 37.379 38.000 0.094 0.000 1.031 14 I HN 0.030 nan 8.210 nan 0.000 0.401 15 N N -0.349 118.420 118.700 0.116 0.000 2.132 15 N HA -0.249 4.490 4.740 -0.002 0.000 0.191 15 N C 1.900 177.582 175.510 0.286 0.000 1.015 15 N CA 1.851 55.084 53.050 0.305 0.000 0.864 15 N CB -0.665 37.937 38.487 0.192 0.000 1.006 15 N HN 0.633 nan 8.380 nan 0.000 0.430 16 H N 0.667 119.680 119.070 -0.095 0.000 2.357 16 H HA 0.053 4.608 4.556 -0.002 0.000 0.301 16 H C 2.335 177.562 175.328 -0.168 0.000 1.082 16 H CA 0.440 56.216 56.048 -0.452 0.000 1.342 16 H CB 0.085 29.433 29.762 -0.689 0.000 1.389 16 H HN 0.083 nan 8.280 nan 0.000 0.511 17 L N 0.608 121.911 121.223 0.133 0.000 2.012 17 L HA -0.190 4.149 4.340 -0.002 0.000 0.210 17 L C 1.410 178.435 176.870 0.258 0.000 1.073 17 L CA 1.091 56.050 54.840 0.198 0.000 0.748 17 L CB -0.168 42.046 42.059 0.257 0.000 0.891 17 L HN 0.274 nan 8.230 nan 0.000 0.431 18 L N -0.721 120.650 121.223 0.248 0.000 2.715 18 L HA 0.137 4.476 4.340 -0.002 0.000 0.238 18 L C -0.223 176.799 176.870 0.254 0.000 1.212 18 L CA -0.308 54.658 54.840 0.210 0.000 1.017 18 L CB -0.568 41.539 42.059 0.080 0.000 1.269 18 L HN 0.080 nan 8.230 nan 0.000 0.452 19 D N 0.715 121.308 120.400 0.321 0.000 2.168 19 D HA 0.186 4.824 4.640 -0.002 0.000 0.246 19 D C 0.134 176.609 176.300 0.292 0.000 1.050 19 D CA -0.524 53.723 54.000 0.411 0.000 0.857 19 D CB 0.774 41.837 40.800 0.437 0.000 1.169 19 D HN -0.023 nan 8.370 nan 0.000 0.453 20 K N 2.933 123.506 120.400 0.288 0.000 3.415 20 K HA -0.249 4.070 4.320 -0.002 0.000 0.271 20 K C 0.998 177.697 176.600 0.165 0.000 0.876 20 K CA -0.109 56.322 56.287 0.240 0.000 0.670 20 K CB -1.017 31.616 32.500 0.222 0.000 1.510 20 K HN 0.515 nan 8.250 nan 0.000 0.455 21 I N 0.080 120.687 120.570 0.062 0.000 2.290 21 I HA -0.307 3.862 4.170 -0.002 0.000 0.253 21 I C 1.473 177.521 176.117 -0.115 0.000 1.112 21 I CA 1.794 63.049 61.300 -0.074 0.000 1.377 21 I CB -0.162 37.722 38.000 -0.193 0.000 1.060 21 I HN 0.328 nan 8.210 nan 0.000 0.428 22 Y N 1.713 122.133 120.300 0.199 0.000 2.584 22 Y HA 0.188 4.737 4.550 -0.002 0.000 0.317 22 Y C 0.327 176.344 175.900 0.195 0.000 1.208 22 Y CA -0.041 58.201 58.100 0.237 0.000 1.299 22 Y CB -0.744 37.859 38.460 0.239 0.000 1.047 22 Y HN 0.336 nan 8.280 nan 0.000 0.506 23 E N -0.402 119.926 120.200 0.214 0.000 2.335 23 E HA 0.245 4.594 4.350 -0.002 0.000 0.280 23 E C -2.896 173.753 176.600 0.083 0.000 0.918 23 E CA -2.627 53.862 56.400 0.148 0.000 0.765 23 E CB 1.612 31.400 29.700 0.146 0.000 1.218 23 E HN -0.209 nan 8.360 nan 0.000 0.425 24 P HA -0.139 nan 4.420 nan 0.000 0.263 24 P C 0.046 177.368 177.300 0.036 0.000 1.162 24 P CA 0.472 63.579 63.100 0.011 0.000 0.758 24 P CB -0.025 31.676 31.700 0.001 0.000 0.773 25 T N 0.324 114.899 114.554 0.035 0.000 2.928 25 T HA 0.083 4.432 4.350 -0.002 0.000 0.305 25 T C 1.019 175.767 174.700 0.080 0.000 1.035 25 T CA -0.390 61.768 62.100 0.098 0.000 1.145 25 T CB 0.762 69.707 68.868 0.129 0.000 0.963 25 T HN 0.329 nan 8.240 nan 0.000 0.545 26 K N 0.887 121.340 120.400 0.088 0.000 2.404 26 K HA 0.073 4.392 4.320 -0.002 0.000 0.194 26 K C -0.525 175.996 176.600 -0.131 0.000 1.023 26 K CA 0.175 56.431 56.287 -0.052 0.000 1.094 26 K CB 0.152 32.573 32.500 -0.132 0.000 0.841 26 K HN 0.633 nan 8.250 nan 0.000 0.523 27 Y N 2.031 122.292 120.300 -0.064 0.000 2.535 27 Y HA 0.119 4.668 4.550 -0.002 0.000 0.349 27 Y C -1.563 174.320 175.900 -0.029 0.000 0.992 27 Y CA -2.792 55.254 58.100 -0.090 0.000 1.248 27 Y CB 0.437 38.783 38.460 -0.189 0.000 1.124 27 Y HN -0.016 nan 8.280 nan 0.000 0.520 28 P HA -0.306 nan 4.420 nan 0.000 0.220 28 P C 0.954 178.303 177.300 0.082 0.000 1.155 28 P CA 2.193 65.329 63.100 0.060 0.000 0.880 28 P CB 0.349 32.072 31.700 0.037 0.000 0.790 29 D N 0.357 120.825 120.400 0.113 0.000 2.084 29 D HA -0.166 4.473 4.640 -0.002 0.000 0.194 29 D C 2.258 178.616 176.300 0.096 0.000 0.990 29 D CA 1.040 55.106 54.000 0.111 0.000 0.826 29 D CB -1.179 39.703 40.800 0.136 0.000 0.971 29 D HN 0.212 nan 8.370 nan 0.000 0.453 30 L N 1.063 122.351 121.223 0.107 0.000 2.081 30 L HA -0.223 4.116 4.340 -0.002 0.000 0.212 30 L C 2.739 179.632 176.870 0.039 0.000 1.080 30 L CA 1.996 56.876 54.840 0.067 0.000 0.754 30 L CB -0.514 41.594 42.059 0.082 0.000 0.893 30 L HN 0.215 nan 8.230 nan 0.000 0.433 31 K N -0.258 120.171 120.400 0.048 0.000 2.116 31 K HA -0.134 4.185 4.320 -0.002 0.000 0.203 31 K C 1.577 178.198 176.600 0.035 0.000 1.052 31 K CA 1.348 57.650 56.287 0.024 0.000 0.952 31 K CB -0.478 32.032 32.500 0.017 0.000 0.729 31 K HN 0.424 nan 8.250 nan 0.000 0.446 32 D N 2.001 122.433 120.400 0.054 0.000 2.219 32 D HA -0.149 4.490 4.640 -0.002 0.000 0.205 32 D C 1.944 178.300 176.300 0.093 0.000 0.970 32 D CA 0.742 54.782 54.000 0.065 0.000 0.851 32 D CB -0.125 40.714 40.800 0.064 0.000 0.943 32 D HN 0.360 nan 8.370 nan 0.000 0.488 33 I N 1.665 122.288 120.570 0.089 0.000 2.163 33 I HA -0.208 3.961 4.170 -0.002 0.000 0.240 33 I C 2.955 179.147 176.117 0.125 0.000 1.081 33 I CA 1.124 62.492 61.300 0.114 0.000 1.353 33 I CB -0.523 37.502 38.000 0.041 0.000 1.054 33 I HN -0.012 nan 8.210 nan 0.000 0.407 34 A N 0.492 123.337 122.820 0.042 0.000 2.042 34 A HA -0.242 4.077 4.320 -0.002 0.000 0.222 34 A C 2.156 179.745 177.584 0.008 0.000 1.167 34 A CA 1.989 54.011 52.037 -0.024 0.000 0.649 34 A CB -0.514 18.436 19.000 -0.083 0.000 0.809 34 A HN 0.561 nan 8.150 nan 0.000 0.457 35 E N -1.065 119.173 120.200 0.064 0.000 2.094 35 E HA -0.031 4.318 4.350 -0.002 0.000 0.193 35 E C 1.503 178.182 176.600 0.131 0.000 0.950 35 E CA 0.481 56.923 56.400 0.070 0.000 0.842 35 E CB -0.168 29.558 29.700 0.043 0.000 0.816 35 E HN 0.508 nan 8.360 nan 0.000 0.465 36 N N 0.589 119.372 118.700 0.139 0.000 2.331 36 N HA -0.053 4.686 4.740 -0.002 0.000 0.180 36 N C 0.460 176.062 175.510 0.155 0.000 1.019 36 N CA 0.350 53.477 53.050 0.128 0.000 0.881 36 N CB -0.126 38.424 38.487 0.106 0.000 0.972 36 N HN -0.006 nan 8.380 nan 0.000 0.435 37 F N 2.011 122.000 119.950 0.066 0.000 2.496 37 F HA 0.100 4.626 4.527 -0.002 0.000 0.344 37 F C 0.721 176.452 175.800 -0.116 0.000 1.155 37 F CA 0.081 58.078 58.000 -0.006 0.000 1.302 37 F CB 0.496 39.481 39.000 -0.024 0.000 1.159 37 F HN -0.097 nan 8.300 nan 0.000 0.595 38 N N 6.116 124.471 118.700 -0.575 0.000 2.581 38 N HA 0.253 4.992 4.740 -0.002 0.000 0.279 38 N C -2.522 172.625 175.510 -0.606 0.000 1.124 38 N CA -1.509 51.254 53.050 -0.477 0.000 0.833 38 N CB 1.987 40.305 38.487 -0.281 0.000 1.338 38 N HN 0.191 nan 8.380 nan 0.000 0.533 39 P HA 0.001 nan 4.420 nan 0.000 0.234 39 P C 0.483 177.833 177.300 0.084 0.000 1.162 39 P CA 0.608 63.742 63.100 0.056 0.000 0.759 39 P CB 0.278 32.019 31.700 0.068 0.000 0.813 40 L N -1.824 119.360 121.223 -0.065 0.000 3.110 40 L HA 0.413 4.752 4.340 -0.002 0.000 0.266 40 L C 1.464 178.312 176.870 -0.037 0.000 1.257 40 L CA 0.266 55.101 54.840 -0.008 0.000 1.038 40 L CB -0.178 41.867 42.059 -0.023 0.000 1.395 40 L HN -0.109 nan 8.230 nan 0.000 0.566 41 G N -1.334 107.409 108.800 -0.094 0.000 3.863 41 G HA2 0.238 4.197 3.960 -0.002 0.000 0.290 41 G HA3 0.238 4.197 3.960 -0.002 0.000 0.290 41 G C -0.218 174.648 174.900 -0.057 0.000 1.018 41 G CA 0.075 45.122 45.100 -0.089 0.000 0.824 41 G HN 0.159 nan 8.290 nan 0.000 0.507 42 D N -0.048 120.346 120.400 -0.011 0.000 3.491 42 D HA -0.001 4.638 4.640 -0.002 0.000 0.240 42 D C -0.258 176.081 176.300 0.065 0.000 1.487 42 D CA -0.359 53.651 54.000 0.016 0.000 0.936 42 D CB -0.485 40.314 40.800 -0.001 0.000 1.451 42 D HN -0.138 nan 8.370 nan 0.000 0.678 43 T N 0.859 115.491 114.554 0.129 0.000 3.162 43 T HA 0.331 4.680 4.350 -0.002 0.000 0.264 43 T C 0.858 175.691 174.700 0.221 0.000 0.959 43 T CA 0.872 63.119 62.100 0.246 0.000 1.118 43 T CB 0.324 69.316 68.868 0.206 0.000 0.979 43 T HN 0.262 nan 8.240 nan 0.000 0.679 44 S N 1.905 117.702 115.700 0.161 0.000 1.913 44 S HA 0.010 4.479 4.470 -0.002 0.000 0.231 44 S C 1.556 176.180 174.600 0.039 0.000 0.854 44 S CA -0.036 58.242 58.200 0.131 0.000 1.513 44 S CB -0.363 62.897 63.200 0.101 0.000 1.020 44 S HN 0.633 nan 8.310 nan 0.000 0.455 45 I N 0.097 120.616 120.570 -0.084 0.000 2.546 45 I HA 0.208 4.377 4.170 -0.002 0.000 0.255 45 I C 0.059 176.052 176.117 -0.208 0.000 1.163 45 I CA 0.515 61.705 61.300 -0.183 0.000 1.457 45 I CB -0.557 37.257 38.000 -0.310 0.000 1.092 45 I HN 0.154 nan 8.210 nan 0.000 0.434 46 Y N 2.385 122.710 120.300 0.042 0.000 2.308 46 Y HA 0.312 4.861 4.550 -0.002 0.000 0.329 46 Y C 1.231 177.068 175.900 -0.105 0.000 1.111 46 Y CA -1.036 57.056 58.100 -0.014 0.000 1.179 46 Y CB 0.136 38.589 38.460 -0.013 0.000 1.201 46 Y HN -0.014 nan 8.280 nan 0.000 0.483 47 N N 1.594 120.329 118.700 0.058 0.000 2.461 47 N HA -0.088 4.651 4.740 -0.002 0.000 0.188 47 N C 0.050 175.443 175.510 -0.196 0.000 1.134 47 N CA 0.639 53.639 53.050 -0.084 0.000 0.878 47 N CB 0.239 38.722 38.487 -0.006 0.000 0.972 47 N HN 0.746 nan 8.380 nan 0.000 0.456 48 D N -1.559 118.755 120.400 -0.144 0.000 2.433 48 D HA -0.006 4.633 4.640 -0.002 0.000 0.211 48 D C -0.217 176.042 176.300 -0.069 0.000 1.114 48 D CA -0.143 53.785 54.000 -0.119 0.000 0.837 48 D CB -0.391 40.372 40.800 -0.061 0.000 0.984 48 D HN 0.179 nan 8.370 nan 0.000 0.505 49 H N -0.364 118.771 119.070 0.108 0.000 2.941 49 H HA -0.031 4.524 4.556 -0.002 0.000 0.279 49 H C 1.092 176.462 175.328 0.069 0.000 1.247 49 H CA 0.321 56.429 56.048 0.101 0.000 1.129 49 H CB -1.757 28.042 29.762 0.061 0.000 1.313 49 H HN 0.417 nan 8.280 nan 0.000 0.384 50 G N -0.418 108.432 108.800 0.084 0.000 2.356 50 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.296 50 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.296 50 G C 1.167 175.962 174.900 -0.175 0.000 1.022 50 G CA 0.768 45.756 45.100 -0.186 0.000 0.961 50 G HN 1.081 nan 8.290 nan 0.000 0.510 51 A N -0.491 122.267 122.820 -0.103 0.000 1.969 51 A HA 0.354 4.673 4.320 -0.002 0.000 0.218 51 A C 2.783 180.295 177.584 -0.121 0.000 1.169 51 A CA 2.215 54.206 52.037 -0.076 0.000 0.635 51 A CB -0.594 18.384 19.000 -0.036 0.000 0.810 51 A HN 1.843 nan 8.150 nan 0.000 0.445 52 A N -0.076 122.635 122.820 -0.181 0.000 1.835 52 A HA -0.042 4.277 4.320 -0.002 0.000 0.215 52 A C 2.211 179.662 177.584 -0.221 0.000 1.199 52 A CA 2.091 54.009 52.037 -0.198 0.000 0.615 52 A CB -1.294 17.567 19.000 -0.232 0.000 0.838 52 A HN 0.579 nan 8.150 nan 0.000 0.444 53 V N 0.182 119.894 119.914 -0.336 0.000 2.250 53 V HA -0.341 3.778 4.120 -0.002 0.000 0.250 53 V C 2.274 178.306 176.094 -0.103 0.000 1.060 53 V CA 2.451 64.596 62.300 -0.257 0.000 1.030 53 V CB -1.226 30.282 31.823 -0.524 0.000 0.643 53 V HN 0.641 nan 8.190 nan 0.000 0.445 54 E N -0.277 119.855 120.200 -0.112 0.000 2.401 54 E HA -0.137 4.212 4.350 -0.002 0.000 0.199 54 E C 2.107 178.685 176.600 -0.036 0.000 1.023 54 E CA 1.422 57.793 56.400 -0.049 0.000 0.859 54 E CB -0.077 29.599 29.700 -0.040 0.000 0.780 54 E HN 0.685 nan 8.360 nan 0.000 0.523 55 T N 0.380 114.898 114.554 -0.060 0.000 3.040 55 T HA -0.008 4.341 4.350 -0.002 0.000 0.252 55 T C 1.502 176.172 174.700 -0.050 0.000 1.064 55 T CA -0.077 61.994 62.100 -0.049 0.000 1.110 55 T CB 0.139 68.972 68.868 -0.057 0.000 0.921 55 T HN 0.028 nan 8.240 nan 0.000 0.480 56 L N 1.626 122.804 121.223 -0.075 0.000 2.007 56 L HA 0.113 4.452 4.340 -0.002 0.000 0.205 56 L C 2.106 178.997 176.870 0.034 0.000 1.073 56 L CA 1.713 56.494 54.840 -0.098 0.000 0.744 56 L CB -0.994 40.881 42.059 -0.306 0.000 0.898 56 L HN 0.080 nan 8.230 nan 0.000 0.435 57 M N -0.011 119.656 119.600 0.112 0.000 2.151 57 M HA -0.336 4.143 4.480 -0.002 0.000 0.256 57 M C 2.281 178.633 176.300 0.087 0.000 1.072 57 M CA 1.941 57.337 55.300 0.160 0.000 1.090 57 M CB -1.522 31.150 32.600 0.121 0.000 1.294 57 M HN 0.317 nan 8.290 nan 0.000 0.415 58 K N -0.131 120.293 120.400 0.041 0.000 2.127 58 K HA -0.213 4.106 4.320 -0.002 0.000 0.208 58 K C 1.823 178.438 176.600 0.025 0.000 1.047 58 K CA 1.503 57.803 56.287 0.021 0.000 0.927 58 K CB 0.101 32.605 32.500 0.006 0.000 0.716 58 K HN 0.317 nan 8.250 nan 0.000 0.450 59 E N 0.547 120.763 120.200 0.027 0.000 2.051 59 E HA -0.154 4.195 4.350 -0.002 0.000 0.189 59 E C 2.002 178.637 176.600 0.059 0.000 0.979 59 E CA 0.557 56.975 56.400 0.030 0.000 0.803 59 E CB -0.349 29.355 29.700 0.007 0.000 0.761 59 E HN 0.224 nan 8.360 nan 0.000 0.451 60 L N 2.086 123.361 121.223 0.087 0.000 2.127 60 L HA -0.150 4.189 4.340 -0.002 0.000 0.211 60 L C 1.591 178.510 176.870 0.082 0.000 1.089 60 L CA 1.559 56.476 54.840 0.128 0.000 0.757 60 L CB -0.418 41.789 42.059 0.246 0.000 0.899 60 L HN 0.018 nan 8.230 nan 0.000 0.434 61 N N -0.183 118.544 118.700 0.044 0.000 2.132 61 N HA -0.128 4.611 4.740 -0.002 0.000 0.187 61 N C 1.153 176.599 175.510 -0.106 0.000 1.038 61 N CA 1.573 54.601 53.050 -0.037 0.000 0.846 61 N CB -0.288 38.194 38.487 -0.010 0.000 1.012 61 N HN 0.368 nan 8.380 nan 0.000 0.429 62 D N 0.619 121.009 120.400 -0.017 0.000 2.392 62 D HA -0.084 4.555 4.640 -0.002 0.000 0.228 62 D C -0.260 176.152 176.300 0.186 0.000 1.003 62 D CA 0.331 54.349 54.000 0.030 0.000 0.917 62 D CB -0.896 39.929 40.800 0.042 0.000 0.890 62 D HN 0.556 nan 8.370 nan 0.000 0.532 63 H N -0.852 118.222 119.070 0.007 0.000 2.542 63 H HA -0.230 4.325 4.556 -0.002 0.000 0.313 63 H C -0.164 175.154 175.328 -0.016 0.000 0.960 63 H CA 0.272 56.319 56.048 -0.002 0.000 1.032 63 H CB -1.872 27.886 29.762 -0.007 0.000 1.620 63 H HN 0.384 nan 8.280 nan 0.000 0.346 64 R N 0.596 121.158 120.500 0.103 0.000 2.590 64 R HA 0.397 4.736 4.340 -0.002 0.000 0.410 64 R C -0.549 175.750 176.300 -0.002 0.000 1.010 64 R CA -0.777 55.340 56.100 0.029 0.000 1.155 64 R CB 0.588 30.904 30.300 0.027 0.000 1.455 64 R HN 0.184 nan 8.270 nan 0.000 0.567 65 L N 1.516 122.743 121.223 0.006 0.000 2.360 65 L HA 0.369 4.708 4.340 -0.002 0.000 0.271 65 L C 0.009 176.847 176.870 -0.053 0.000 1.057 65 L CA -1.186 53.645 54.840 -0.015 0.000 0.803 65 L CB 1.485 43.553 42.059 0.016 0.000 1.207 65 L HN 0.195 nan 8.230 nan 0.000 0.445 66 L N 3.085 124.261 121.223 -0.077 0.000 2.485 66 L HA 0.091 4.430 4.340 -0.002 0.000 0.275 66 L C 0.169 176.961 176.870 -0.130 0.000 1.207 66 L CA -0.243 54.508 54.840 -0.150 0.000 0.855 66 L CB 0.454 42.426 42.059 -0.145 0.000 1.114 66 L HN 0.718 nan 8.230 nan 0.000 0.485 67 E N 3.838 123.924 120.200 -0.190 0.000 2.408 67 E HA 0.083 4.432 4.350 -0.002 0.000 0.259 67 E C -0.607 175.954 176.600 -0.064 0.000 1.110 67 E CA -0.433 55.891 56.400 -0.127 0.000 0.929 67 E CB 0.485 30.100 29.700 -0.142 0.000 0.971 67 E HN 0.569 nan 8.360 nan 0.000 0.438 68 Q N 0.570 120.347 119.800 -0.039 0.000 2.318 68 Q HA 0.207 4.546 4.340 -0.002 0.000 0.222 68 Q C -0.524 175.463 176.000 -0.022 0.000 1.003 68 Q CA -0.517 55.284 55.803 -0.004 0.000 0.936 68 Q CB 0.617 29.344 28.738 -0.018 0.000 1.204 68 Q HN 0.360 nan 8.270 nan 0.000 0.524 69 R N 1.329 121.825 120.500 -0.006 0.000 3.092 69 R HA -0.225 4.114 4.340 -0.002 0.000 0.245 69 R C -0.508 175.719 176.300 -0.123 0.000 0.881 69 R CA 0.575 56.499 56.100 -0.292 0.000 0.614 69 R CB -1.603 28.269 30.300 -0.714 0.000 1.128 69 R HN 0.512 nan 8.270 nan 0.000 0.483 70 H N 0.009 119.103 119.070 0.041 0.000 3.017 70 H HA 0.260 4.815 4.556 -0.002 0.000 0.346 70 H C -0.445 174.972 175.328 0.147 0.000 1.286 70 H CA -0.703 55.342 56.048 -0.005 0.000 1.120 70 H CB 1.123 30.770 29.762 -0.192 0.000 1.860 70 H HN 0.287 nan 8.280 nan 0.000 0.542 71 W N 2.636 123.871 121.300 -0.109 0.000 2.089 71 W HA 0.491 5.150 4.660 -0.002 0.000 0.362 71 W C -1.566 175.255 176.519 0.504 0.000 1.362 71 W CA -0.851 56.610 57.345 0.193 0.000 1.460 71 W CB 0.090 29.480 29.460 -0.117 0.000 1.204 71 W HN 0.537 nan 8.180 nan 0.000 0.657 72 Y N 1.464 122.286 120.300 0.869 0.000 2.424 72 Y HA 0.356 4.905 4.550 -0.002 0.000 0.323 72 Y C -1.281 175.068 175.900 0.747 0.000 1.174 72 Y CA -1.017 57.474 58.100 0.651 0.000 1.060 72 Y CB 1.108 39.761 38.460 0.321 0.000 1.314 72 Y HN 0.614 nan 8.280 nan 0.000 0.439 73 S N 5.524 121.235 115.700 0.018 0.000 2.568 73 S HA 0.442 4.911 4.470 -0.002 0.000 0.302 73 S C -0.175 174.010 174.600 -0.691 0.000 1.082 73 S CA -0.761 57.374 58.200 -0.108 0.000 1.009 73 S CB 1.837 64.981 63.200 -0.094 0.000 1.069 73 S HN 1.034 nan 8.310 nan 0.000 0.500 74 L N 1.287 122.204 121.223 -0.510 0.000 2.599 74 L HA 0.458 4.797 4.340 -0.002 0.000 0.230 74 L C 0.576 177.110 176.870 -0.559 0.000 1.141 74 L CA 1.087 55.544 54.840 -0.638 0.000 0.877 74 L CB -0.745 40.939 42.059 -0.624 0.000 1.009 74 L HN 0.783 nan 8.230 nan 0.000 0.447 75 F N -1.021 118.798 119.950 -0.218 0.000 2.776 75 F HA 0.209 4.735 4.527 -0.002 0.000 0.300 75 F C 1.013 176.769 175.800 -0.073 0.000 1.116 75 F CA -0.356 57.572 58.000 -0.120 0.000 1.375 75 F CB -0.375 38.527 39.000 -0.162 0.000 1.109 75 F HN 0.129 nan 8.300 nan 0.000 0.585 76 N N 0.425 119.133 118.700 0.013 0.000 2.399 76 N HA 0.002 4.741 4.740 -0.002 0.000 0.259 76 N C 1.205 176.722 175.510 0.011 0.000 1.160 76 N CA 0.278 53.349 53.050 0.036 0.000 0.946 76 N CB 0.543 39.060 38.487 0.051 0.000 1.156 76 N HN 0.111 nan 8.380 nan 0.000 0.489 77 T N 0.935 115.514 114.554 0.041 0.000 2.848 77 T HA -0.265 4.084 4.350 -0.002 0.000 0.269 77 T C 1.661 176.371 174.700 0.018 0.000 1.081 77 T CA 1.179 63.303 62.100 0.039 0.000 1.125 77 T CB -0.064 68.835 68.868 0.052 0.000 0.848 77 T HN 0.511 nan 8.240 nan 0.000 0.503 78 R N 0.621 121.128 120.500 0.010 0.000 2.074 78 R HA 0.099 4.438 4.340 -0.002 0.000 0.218 78 R C 2.777 179.081 176.300 0.007 0.000 1.137 78 R CA 0.527 56.628 56.100 0.001 0.000 0.998 78 R CB -0.138 30.156 30.300 -0.009 0.000 0.895 78 R HN 0.424 nan 8.270 nan 0.000 0.442 79 Q N 0.173 119.984 119.800 0.019 0.000 2.173 79 Q HA -0.263 4.076 4.340 -0.002 0.000 0.208 79 Q C 2.171 178.260 176.000 0.149 0.000 0.989 79 Q CA 1.902 57.773 55.803 0.112 0.000 0.872 79 Q CB -0.179 28.625 28.738 0.110 0.000 0.909 79 Q HN 0.250 nan 8.270 nan 0.000 0.420 80 R N 1.075 121.577 120.500 0.002 0.000 2.070 80 R HA -0.156 4.183 4.340 -0.002 0.000 0.232 80 R C 2.045 178.288 176.300 -0.096 0.000 1.138 80 R CA 1.636 57.690 56.100 -0.077 0.000 0.936 80 R CB 0.007 30.234 30.300 -0.122 0.000 0.839 80 R HN 0.090 nan 8.270 nan 0.000 0.429 81 K N 0.321 120.683 120.400 -0.063 0.000 2.059 81 K HA -0.221 4.098 4.320 -0.002 0.000 0.212 81 K C 2.090 178.647 176.600 -0.073 0.000 1.050 81 K CA 2.327 58.573 56.287 -0.068 0.000 0.927 81 K CB -0.109 32.373 32.500 -0.030 0.000 0.714 81 K HN 0.369 nan 8.250 nan 0.000 0.447 82 E N 0.176 120.352 120.200 -0.041 0.000 2.031 82 E HA -0.198 4.151 4.350 -0.002 0.000 0.193 82 E C 2.106 178.665 176.600 -0.070 0.000 0.994 82 E CA 1.087 57.458 56.400 -0.050 0.000 0.800 82 E CB -0.172 29.515 29.700 -0.022 0.000 0.752 82 E HN 0.354 nan 8.360 nan 0.000 0.447 83 A N 1.171 123.970 122.820 -0.035 0.000 1.892 83 A HA -0.204 4.115 4.320 -0.002 0.000 0.218 83 A C 2.119 179.657 177.584 -0.076 0.000 1.188 83 A CA 1.305 53.319 52.037 -0.039 0.000 0.631 83 A CB -0.611 18.402 19.000 0.022 0.000 0.822 83 A HN 0.192 nan 8.150 nan 0.000 0.447 84 L N 0.019 121.141 121.223 -0.168 0.000 2.551 84 L HA -0.046 4.293 4.340 -0.002 0.000 0.228 84 L C 2.444 179.231 176.870 -0.139 0.000 1.153 84 L CA 1.476 56.149 54.840 -0.278 0.000 0.851 84 L CB -0.498 41.248 42.059 -0.520 0.000 0.959 84 L HN 0.601 nan 8.230 nan 0.000 0.451 85 M N -3.525 115.996 119.600 -0.131 0.000 2.287 85 M HA -0.073 4.406 4.480 -0.002 0.000 0.266 85 M C 2.183 178.363 176.300 -0.200 0.000 1.079 85 M CA 1.360 56.573 55.300 -0.145 0.000 1.146 85 M CB -0.648 31.865 32.600 -0.145 0.000 1.374 85 M HN 0.129 nan 8.290 nan 0.000 0.435 86 L N 0.616 121.715 121.223 -0.206 0.000 2.042 86 L HA -0.188 4.151 4.340 -0.002 0.000 0.210 86 L C 2.697 179.459 176.870 -0.180 0.000 1.076 86 L CA 1.540 56.234 54.840 -0.245 0.000 0.749 86 L CB -0.380 41.571 42.059 -0.181 0.000 0.893 86 L HN 0.273 nan 8.230 nan 0.000 0.432 87 F N 0.945 120.738 119.950 -0.262 0.000 2.065 87 F HA -0.300 4.226 4.527 -0.002 0.000 0.298 87 F C 2.327 177.983 175.800 -0.240 0.000 1.112 87 F CA 1.682 59.528 58.000 -0.258 0.000 1.212 87 F CB -0.695 38.119 39.000 -0.310 0.000 0.975 87 F HN 0.069 nan 8.300 nan 0.000 0.476 88 A N -0.366 122.199 122.820 -0.426 0.000 2.131 88 A HA -0.044 4.275 4.320 -0.002 0.000 0.220 88 A C 2.131 179.518 177.584 -0.328 0.000 1.158 88 A CA 1.766 53.547 52.037 -0.426 0.000 0.665 88 A CB -1.201 17.700 19.000 -0.164 0.000 0.795 88 A HN 0.356 nan 8.150 nan 0.000 0.460 89 V N -1.097 118.638 119.914 -0.299 0.000 2.339 89 V HA -0.078 4.041 4.120 -0.002 0.000 0.234 89 V C 2.185 178.172 176.094 -0.179 0.000 1.053 89 V CA 1.094 63.259 62.300 -0.224 0.000 1.042 89 V CB -0.930 30.770 31.823 -0.205 0.000 0.678 89 V HN 0.422 nan 8.190 nan 0.000 0.475 90 L N 1.183 122.239 121.223 -0.280 0.000 2.151 90 L HA -0.312 4.027 4.340 -0.002 0.000 0.219 90 L C 2.156 178.852 176.870 -0.291 0.000 1.083 90 L CA 2.597 57.137 54.840 -0.501 0.000 0.782 90 L CB -1.247 40.392 42.059 -0.700 0.000 0.891 90 L HN 0.552 nan 8.230 nan 0.000 0.439 91 N N -0.541 117.962 118.700 -0.328 0.000 2.142 91 N HA -0.164 4.575 4.740 -0.002 0.000 0.186 91 N C 1.024 176.496 175.510 -0.063 0.000 1.023 91 N CA 1.244 54.131 53.050 -0.271 0.000 0.852 91 N CB 0.005 38.076 38.487 -0.692 0.000 0.998 91 N HN 0.610 nan 8.380 nan 0.000 0.424 92 Q N -0.276 119.503 119.800 -0.034 0.000 2.375 92 Q HA 0.259 4.598 4.340 -0.002 0.000 0.316 92 Q C -0.551 175.561 176.000 0.188 0.000 0.927 92 Q CA -0.258 55.589 55.803 0.072 0.000 1.029 92 Q CB -0.015 28.745 28.738 0.038 0.000 1.202 92 Q HN 0.216 nan 8.270 nan 0.000 0.431 93 c N 1.243 119.951 118.600 0.181 0.000 2.459 93 c HA 0.213 4.781 4.570 -0.002 0.000 0.374 93 c C 1.487 175.668 174.090 0.152 0.000 1.241 93 c CA -0.356 56.073 56.329 0.167 0.000 2.352 93 c CB 0.986 43.610 42.510 0.190 0.000 2.490 93 c HN 0.607 nan 8.230 nan 0.000 0.583 94 K N 0.425 120.891 120.400 0.110 0.000 2.242 94 K HA 0.110 4.429 4.320 -0.002 0.000 0.200 94 K C 0.428 177.116 176.600 0.147 0.000 1.050 94 K CA 0.791 57.146 56.287 0.114 0.000 0.981 94 K CB 0.262 32.810 32.500 0.081 0.000 0.795 94 K HN 0.714 nan 8.250 nan 0.000 0.477 95 E N -1.763 118.542 120.200 0.176 0.000 2.454 95 E HA 0.047 4.396 4.350 -0.002 0.000 0.279 95 E C -0.427 176.359 176.600 0.311 0.000 1.029 95 E CA -0.765 55.775 56.400 0.234 0.000 0.831 95 E CB -0.092 29.726 29.700 0.197 0.000 1.405 95 E HN 0.064 nan 8.360 nan 0.000 0.463 96 W N 1.127 122.461 121.300 0.056 0.000 2.290 96 W HA -0.339 4.320 4.660 -0.002 0.000 0.318 96 W C 1.439 178.020 176.519 0.104 0.000 1.248 96 W CA 2.036 59.407 57.345 0.043 0.000 1.263 96 W CB -0.204 29.248 29.460 -0.014 0.000 1.147 96 W HN 0.760 nan 8.180 nan 0.000 0.494 97 Y N 0.707 121.097 120.300 0.150 0.000 2.173 97 Y HA -0.377 4.172 4.550 -0.002 0.000 0.282 97 Y C 2.538 178.436 175.900 -0.003 0.000 1.192 97 Y CA 2.237 60.375 58.100 0.063 0.000 1.176 97 Y CB -1.250 37.263 38.460 0.089 0.000 0.969 97 Y HN 0.024 nan 8.280 nan 0.000 0.519 98 c N -0.708 117.747 118.600 -0.242 0.000 2.485 98 c HA -0.013 4.556 4.570 -0.002 0.000 0.278 98 c C 2.497 176.441 174.090 -0.243 0.000 1.356 98 c CA 0.378 56.505 56.329 -0.336 0.000 1.747 98 c CB -2.007 40.361 42.510 -0.236 0.000 2.001 98 c HN 0.620 nan 8.230 nan 0.000 0.501 99 F N 1.800 121.524 119.950 -0.378 0.000 2.053 99 F HA 0.123 4.649 4.527 -0.002 0.000 0.292 99 F C 2.621 178.082 175.800 -0.566 0.000 1.125 99 F CA 1.753 59.479 58.000 -0.456 0.000 1.193 99 F CB -0.680 37.955 39.000 -0.609 0.000 0.996 99 F HN 0.048 nan 8.300 nan 0.000 0.470 100 R N -0.010 120.191 120.500 -0.498 0.000 2.162 100 R HA -0.245 4.094 4.340 -0.002 0.000 0.245 100 R C 2.358 178.440 176.300 -0.364 0.000 1.129 100 R CA 2.107 57.948 56.100 -0.432 0.000 0.940 100 R CB -1.113 28.946 30.300 -0.402 0.000 0.875 100 R HN 0.270 nan 8.270 nan 0.000 0.437 101 S N 0.616 115.978 115.700 -0.562 0.000 2.377 101 S HA -0.214 4.255 4.470 -0.002 0.000 0.224 101 S C 1.600 175.714 174.600 -0.811 0.000 1.042 101 S CA 2.090 59.695 58.200 -0.993 0.000 1.086 101 S CB -0.548 61.513 63.200 -1.898 0.000 0.995 101 S HN 0.405 nan 8.310 nan 0.000 0.428 102 N N 1.554 119.904 118.700 -0.582 0.000 2.025 102 N HA -0.005 4.734 4.740 -0.002 0.000 0.194 102 N C 0.889 176.429 175.510 0.050 0.000 1.044 102 N CA 1.152 54.118 53.050 -0.139 0.000 0.851 102 N CB -0.257 38.280 38.487 0.084 0.000 1.036 102 N HN 0.393 nan 8.380 nan 0.000 0.422 103 A N -0.822 122.001 122.820 0.005 0.000 3.052 103 A HA 0.593 4.912 4.320 -0.002 0.000 0.266 103 A C 0.583 178.218 177.584 0.084 0.000 1.855 103 A CA 0.629 52.787 52.037 0.202 0.000 1.473 103 A CB -0.924 18.165 19.000 0.148 0.000 1.038 103 A HN 0.426 nan 8.150 nan 0.000 0.619 104 A N -0.258 122.549 122.820 -0.023 0.000 2.373 104 A HA 0.150 4.469 4.320 -0.002 0.000 0.190 104 A C 1.291 178.778 177.584 -0.163 0.000 1.544 104 A CA 0.631 52.604 52.037 -0.106 0.000 1.699 104 A CB -0.965 17.963 19.000 -0.119 0.000 1.614 104 A HN 0.714 nan 8.150 nan 0.000 0.667 105 Y N 0.678 120.802 120.300 -0.294 0.000 2.081 105 Y HA -0.242 4.307 4.550 -0.002 0.000 0.280 105 Y C 1.973 177.614 175.900 -0.432 0.000 1.163 105 Y CA 3.095 60.961 58.100 -0.389 0.000 1.135 105 Y CB -0.357 37.777 38.460 -0.543 0.000 0.970 105 Y HN 0.329 nan 8.280 nan 0.000 0.498 106 F N -0.226 119.725 119.950 0.002 0.000 2.118 106 F HA -0.049 4.477 4.527 -0.002 0.000 0.293 106 F C 2.649 178.288 175.800 -0.268 0.000 1.102 106 F CA 1.476 59.443 58.000 -0.056 0.000 1.247 106 F CB -1.051 38.015 39.000 0.110 0.000 1.017 106 F HN -0.110 nan 8.300 nan 0.000 0.475 107 R N 1.066 121.384 120.500 -0.304 0.000 2.196 107 R HA -0.259 4.080 4.340 -0.002 0.000 0.259 107 R C 1.582 177.554 176.300 -0.546 0.000 1.154 107 R CA 2.101 57.587 56.100 -1.022 0.000 0.976 107 R CB -0.623 29.113 30.300 -0.941 0.000 0.888 107 R HN 0.188 nan 8.270 nan 0.000 0.453 108 E N -0.353 119.634 120.200 -0.354 0.000 2.481 108 E HA -0.057 4.292 4.350 -0.002 0.000 0.195 108 E C 1.246 177.717 176.600 -0.215 0.000 1.047 108 E CA 0.736 56.980 56.400 -0.260 0.000 0.867 108 E CB 0.101 29.657 29.700 -0.240 0.000 0.858 108 E HN 0.585 nan 8.360 nan 0.000 0.513 109 R N -1.931 118.455 120.500 -0.189 0.000 2.526 109 R HA 0.304 4.643 4.340 -0.002 0.000 0.346 109 R C 0.354 176.645 176.300 -0.014 0.000 0.926 109 R CA -0.153 55.881 56.100 -0.110 0.000 1.147 109 R CB 0.169 30.374 30.300 -0.159 0.000 1.629 109 R HN 0.017 nan 8.270 nan 0.000 0.516 110 M N 1.888 121.493 119.600 0.008 0.000 2.528 110 M HA 0.273 4.752 4.480 -0.002 0.000 0.318 110 M C -0.251 176.058 176.300 0.015 0.000 1.195 110 M CA -0.859 54.471 55.300 0.050 0.000 1.000 110 M CB 1.719 34.390 32.600 0.119 0.000 1.615 110 M HN 0.022 nan 8.290 nan 0.000 0.469 111 N N 1.294 120.007 118.700 0.022 0.000 2.479 111 N HA -0.030 4.709 4.740 -0.002 0.000 0.257 111 N C 0.178 175.730 175.510 0.071 0.000 1.232 111 N CA 0.338 53.409 53.050 0.035 0.000 0.920 111 N CB 1.014 39.513 38.487 0.020 0.000 1.105 111 N HN 0.550 nan 8.380 nan 0.000 0.444 112 E N 2.001 122.267 120.200 0.111 0.000 2.118 112 E HA -0.076 4.273 4.350 -0.002 0.000 0.195 112 E C 1.696 178.364 176.600 0.114 0.000 0.992 112 E CA 1.657 58.145 56.400 0.147 0.000 0.804 112 E CB -0.478 29.310 29.700 0.147 0.000 0.741 112 E HN 0.804 nan 8.360 nan 0.000 0.458 113 G N 1.057 109.865 108.800 0.013 0.000 2.394 113 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.214 113 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.214 113 G C 1.310 175.851 174.900 -0.600 0.000 1.176 113 G CA 0.637 45.620 45.100 -0.196 0.000 0.786 113 G HN 0.239 nan 8.290 nan 0.000 0.533 114 E N -0.172 119.595 120.200 -0.722 0.000 2.038 114 E HA -0.159 4.190 4.350 -0.002 0.000 0.195 114 E C 2.150 178.675 176.600 -0.124 0.000 1.000 114 E CA 0.998 57.090 56.400 -0.512 0.000 0.803 114 E CB -0.317 29.233 29.700 -0.250 0.000 0.750 114 E HN 0.398 nan 8.360 nan 0.000 0.448 115 F N 1.954 121.825 119.950 -0.133 0.000 2.043 115 F HA -0.266 4.260 4.527 -0.002 0.000 0.297 115 F C 2.301 178.115 175.800 0.023 0.000 1.121 115 F CA 1.386 59.366 58.000 -0.035 0.000 1.199 115 F CB -0.514 38.477 39.000 -0.014 0.000 0.968 115 F HN -0.219 nan 8.300 nan 0.000 0.478 116 V N -0.377 119.526 119.914 -0.019 0.000 2.255 116 V HA -0.358 3.761 4.120 -0.002 0.000 0.247 116 V C 2.113 178.179 176.094 -0.047 0.000 1.051 116 V CA 2.332 64.601 62.300 -0.052 0.000 1.018 116 V CB -1.262 30.585 31.823 0.039 0.000 0.641 116 V HN 0.555 nan 8.190 nan 0.000 0.445 117 Y N 1.170 121.399 120.300 -0.119 0.000 2.097 117 Y HA -0.295 4.254 4.550 -0.002 0.000 0.282 117 Y C 2.431 178.311 175.900 -0.033 0.000 1.152 117 Y CA 2.013 60.087 58.100 -0.043 0.000 1.136 117 Y CB -0.643 37.827 38.460 0.017 0.000 0.975 117 Y HN 0.156 nan 8.280 nan 0.000 0.498 118 A N 0.088 122.902 122.820 -0.010 0.000 1.873 118 A HA -0.255 4.064 4.320 -0.002 0.000 0.218 118 A C 2.189 179.682 177.584 -0.151 0.000 1.193 118 A CA 1.994 53.984 52.037 -0.078 0.000 0.629 118 A CB -1.402 17.539 19.000 -0.098 0.000 0.826 118 A HN 0.544 nan 8.150 nan 0.000 0.447 119 L N -1.638 119.385 121.223 -0.334 0.000 2.012 119 L HA -0.181 4.158 4.340 -0.002 0.000 0.210 119 L C 2.359 179.206 176.870 -0.038 0.000 1.073 119 L CA 2.027 56.705 54.840 -0.269 0.000 0.748 119 L CB -1.008 40.727 42.059 -0.540 0.000 0.891 119 L HN 0.489 nan 8.230 nan 0.000 0.431 120 Y N -1.429 118.767 120.300 -0.174 0.000 2.114 120 Y HA -0.232 4.317 4.550 -0.002 0.000 0.284 120 Y C 2.619 178.467 175.900 -0.088 0.000 1.143 120 Y CA 1.909 59.938 58.100 -0.119 0.000 1.135 120 Y CB -0.934 37.434 38.460 -0.154 0.000 0.980 120 Y HN -0.038 nan 8.280 nan 0.000 0.499 121 V N -1.048 118.865 119.914 -0.001 0.000 2.332 121 V HA -0.315 3.804 4.120 -0.002 0.000 0.248 121 V C 2.294 178.560 176.094 0.287 0.000 1.055 121 V CA 2.214 64.532 62.300 0.029 0.000 1.038 121 V CB -0.763 30.938 31.823 -0.203 0.000 0.651 121 V HN 0.372 nan 8.190 nan 0.000 0.450 122 S N -0.556 115.339 115.700 0.325 0.000 2.356 122 S HA -0.162 4.307 4.470 -0.002 0.000 0.223 122 S C 1.966 176.815 174.600 0.416 0.000 1.032 122 S CA 1.512 59.973 58.200 0.435 0.000 1.005 122 S CB -0.163 63.129 63.200 0.154 0.000 0.867 122 S HN 0.386 nan 8.310 nan 0.000 0.449 123 V N 2.290 122.396 119.914 0.320 0.000 2.295 123 V HA -0.164 3.955 4.120 -0.002 0.000 0.246 123 V C 2.068 178.228 176.094 0.111 0.000 1.049 123 V CA 1.558 64.005 62.300 0.245 0.000 1.024 123 V CB -0.677 31.203 31.823 0.095 0.000 0.648 123 V HN 0.450 nan 8.190 nan 0.000 0.447 124 I N -0.672 119.912 120.570 0.023 0.000 2.163 124 I HA -0.274 3.895 4.170 -0.002 0.000 0.243 124 I C 2.470 178.390 176.117 -0.327 0.000 1.085 124 I CA 1.767 62.972 61.300 -0.158 0.000 1.347 124 I CB -0.586 37.252 38.000 -0.271 0.000 1.044 124 I HN 0.415 nan 8.210 nan 0.000 0.408 125 H N -0.637 118.474 119.070 0.067 0.000 2.486 125 H HA 0.172 4.727 4.556 -0.002 0.000 0.287 125 H C 1.420 176.828 175.328 0.133 0.000 1.010 125 H CA 0.274 56.377 56.048 0.092 0.000 1.324 125 H CB 0.188 30.204 29.762 0.424 0.000 1.446 125 H HN 0.172 nan 8.280 nan 0.000 0.537 126 S N 1.620 117.523 115.700 0.339 0.000 2.562 126 S HA -0.005 4.464 4.470 -0.002 0.000 0.281 126 S C 1.441 176.152 174.600 0.184 0.000 1.333 126 S CA -0.704 57.676 58.200 0.300 0.000 1.052 126 S CB 0.800 64.231 63.200 0.385 0.000 0.884 126 S HN 0.192 nan 8.310 nan 0.000 0.506 127 K N 4.201 124.716 120.400 0.191 0.000 2.059 127 K HA -0.167 4.152 4.320 -0.002 0.000 0.212 127 K C 1.652 178.339 176.600 0.145 0.000 1.050 127 K CA 1.529 57.913 56.287 0.161 0.000 0.927 127 K CB -0.758 31.839 32.500 0.163 0.000 0.714 127 K HN 0.679 nan 8.250 nan 0.000 0.447 128 L N 0.835 122.159 121.223 0.169 0.000 2.711 128 L HA -0.002 4.337 4.340 -0.002 0.000 0.242 128 L C 1.267 178.135 176.870 -0.003 0.000 1.153 128 L CA 0.226 55.138 54.840 0.119 0.000 0.898 128 L CB -0.228 41.987 42.059 0.260 0.000 1.044 128 L HN 0.226 nan 8.230 nan 0.000 0.437 129 G N -1.859 106.954 108.800 0.023 0.000 4.331 129 G HA2 0.040 3.999 3.960 -0.002 0.000 0.299 129 G HA3 0.040 3.999 3.960 -0.002 0.000 0.299 129 G C 0.448 175.315 174.900 -0.055 0.000 1.158 129 G CA -0.360 44.705 45.100 -0.059 0.000 0.916 129 G HN 0.066 nan 8.290 nan 0.000 0.553 130 D N 1.422 121.780 120.400 -0.070 0.000 2.077 130 D HA -0.118 4.521 4.640 -0.002 0.000 0.193 130 D C 2.594 178.829 176.300 -0.110 0.000 0.989 130 D CA 1.662 55.622 54.000 -0.067 0.000 0.831 130 D CB -0.203 40.558 40.800 -0.065 0.000 0.979 130 D HN 0.323 nan 8.370 nan 0.000 0.449 131 G N 1.454 110.158 108.800 -0.159 0.000 2.507 131 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.221 131 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.221 131 G C 1.110 175.932 174.900 -0.129 0.000 1.119 131 G CA 0.393 45.400 45.100 -0.156 0.000 0.751 131 G HN 0.259 nan 8.290 nan 0.000 0.574 132 I N 0.677 121.164 120.570 -0.139 0.000 2.692 132 I HA 0.210 4.379 4.170 -0.002 0.000 0.284 132 I C -0.272 175.811 176.117 -0.057 0.000 1.159 132 I CA -0.371 60.870 61.300 -0.099 0.000 1.423 132 I CB 1.388 39.323 38.000 -0.108 0.000 1.380 132 I HN -0.253 nan 8.210 nan 0.000 0.580 133 V N 7.140 127.035 119.914 -0.031 0.000 2.448 133 V HA 0.369 4.488 4.120 -0.002 0.000 0.295 133 V C 0.095 176.155 176.094 -0.057 0.000 1.025 133 V CA -0.587 61.714 62.300 0.002 0.000 0.859 133 V CB 1.684 33.561 31.823 0.090 0.000 0.988 133 V HN 0.459 nan 8.190 nan 0.000 0.431 134 L N 7.243 128.398 121.223 -0.113 0.000 2.334 134 L HA 0.457 4.796 4.340 -0.002 0.000 0.277 134 L C -2.064 174.722 176.870 -0.141 0.000 1.075 134 L CA -1.673 53.024 54.840 -0.238 0.000 0.804 134 L CB 1.288 43.036 42.059 -0.518 0.000 1.174 134 L HN 0.428 nan 8.230 nan 0.000 0.438 135 P HA 0.105 nan 4.420 nan 0.000 0.269 135 P C -2.572 174.603 177.300 -0.208 0.000 1.217 135 P CA -1.124 61.851 63.100 -0.207 0.000 0.783 135 P CB -0.342 30.995 31.700 -0.605 0.000 0.898 136 P HA 0.159 nan 4.420 nan 0.000 0.276 136 P C 1.088 177.997 177.300 -0.652 0.000 1.253 136 P CA -0.009 62.706 63.100 -0.642 0.000 0.766 136 P CB 0.277 31.213 31.700 -1.273 0.000 0.845 137 L N 3.316 124.242 121.223 -0.496 0.000 2.010 137 L HA -0.320 4.019 4.340 -0.002 0.000 0.219 137 L C 2.330 178.898 176.870 -0.503 0.000 1.077 137 L CA 2.110 56.696 54.840 -0.423 0.000 0.773 137 L CB -1.073 40.802 42.059 -0.308 0.000 0.892 137 L HN 0.486 nan 8.230 nan 0.000 0.436 138 Y N 0.374 120.157 120.300 -0.862 0.000 2.219 138 Y HA -0.340 4.209 4.550 -0.002 0.000 0.283 138 Y C 2.404 178.179 175.900 -0.209 0.000 1.191 138 Y CA 1.656 59.268 58.100 -0.813 0.000 1.199 138 Y CB -1.371 36.473 38.460 -1.028 0.000 0.972 138 Y HN 0.456 nan 8.280 nan 0.000 0.527 139 Q N -0.649 119.099 119.800 -0.086 0.000 2.391 139 Q HA 0.110 4.449 4.340 -0.002 0.000 0.211 139 Q C 1.835 177.885 176.000 0.083 0.000 0.908 139 Q CA 0.448 56.348 55.803 0.162 0.000 0.920 139 Q CB -0.052 28.845 28.738 0.264 0.000 1.056 139 Q HN 0.433 nan 8.270 nan 0.000 0.523 140 I N 2.461 122.985 120.570 -0.077 0.000 2.202 140 I HA -0.081 4.088 4.170 -0.002 0.000 0.242 140 I C 1.271 177.451 176.117 0.105 0.000 1.091 140 I CA 1.622 62.886 61.300 -0.060 0.000 1.368 140 I CB -0.692 37.228 38.000 -0.134 0.000 1.058 140 I HN 0.298 nan 8.210 nan 0.000 0.410 141 T N -1.939 112.714 114.554 0.166 0.000 3.305 141 T HA 0.385 4.734 4.350 -0.002 0.000 0.348 141 T C -2.135 172.795 174.700 0.383 0.000 1.394 141 T CA -1.402 60.908 62.100 0.351 0.000 1.549 141 T CB 1.304 70.362 68.868 0.315 0.000 0.962 141 T HN -0.107 nan 8.240 nan 0.000 0.609 142 P HA -0.031 nan 4.420 nan 0.000 0.231 142 P C 1.286 178.730 177.300 0.239 0.000 1.158 142 P CA 0.634 63.925 63.100 0.318 0.000 0.763 142 P CB -0.092 31.783 31.700 0.291 0.000 0.805 143 H N -1.404 117.819 119.070 0.256 0.000 2.462 143 H HA 0.101 4.656 4.556 -0.002 0.000 0.292 143 H C 1.592 177.012 175.328 0.154 0.000 1.049 143 H CA 1.037 57.184 56.048 0.165 0.000 1.334 143 H CB 0.001 29.820 29.762 0.095 0.000 1.404 143 H HN 0.109 nan 8.280 nan 0.000 0.544 144 M N -0.457 119.316 119.600 0.290 0.000 2.492 144 M HA -0.026 4.453 4.480 -0.002 0.000 0.262 144 M C 0.805 177.056 176.300 -0.081 0.000 1.090 144 M CA 0.891 56.228 55.300 0.062 0.000 1.110 144 M CB -0.407 32.212 32.600 0.032 0.000 1.407 144 M HN 0.143 nan 8.290 nan 0.000 0.470 145 F N -1.004 118.969 119.950 0.038 0.000 2.784 145 F HA 0.194 4.720 4.527 -0.002 0.000 0.323 145 F C 0.779 176.595 175.800 0.028 0.000 1.085 145 F CA -0.138 57.858 58.000 -0.005 0.000 1.196 145 F CB 0.134 39.110 39.000 -0.039 0.000 1.053 145 F HN -0.182 nan 8.300 nan 0.000 0.578 146 T N 0.091 114.795 114.554 0.251 0.000 2.895 146 T HA 0.240 4.589 4.350 -0.002 0.000 0.283 146 T C -0.108 174.646 174.700 0.090 0.000 1.014 146 T CA -0.642 61.588 62.100 0.216 0.000 1.037 146 T CB 1.560 70.569 68.868 0.236 0.000 1.006 146 T HN -0.149 nan 8.240 nan 0.000 0.468 147 N N 0.462 119.203 118.700 0.069 0.000 2.231 147 N HA 0.013 4.752 4.740 -0.002 0.000 0.223 147 N C 1.395 176.896 175.510 -0.016 0.000 1.329 147 N CA 0.386 53.447 53.050 0.019 0.000 0.889 147 N CB 0.433 38.925 38.487 0.007 0.000 1.125 147 N HN 0.507 nan 8.380 nan 0.000 0.447 148 S N -0.633 115.056 115.700 -0.019 0.000 2.478 148 S HA 0.024 4.493 4.470 -0.002 0.000 0.222 148 S C 1.402 175.951 174.600 -0.086 0.000 1.008 148 S CA 0.524 58.708 58.200 -0.026 0.000 0.928 148 S CB -0.191 63.014 63.200 0.007 0.000 0.781 148 S HN 0.587 nan 8.310 nan 0.000 0.518 149 E N 0.368 120.514 120.200 -0.090 0.000 2.014 149 E HA -0.065 4.284 4.350 -0.002 0.000 0.190 149 E C 1.953 178.427 176.600 -0.209 0.000 0.980 149 E CA 1.248 57.571 56.400 -0.128 0.000 0.807 149 E CB -0.126 29.517 29.700 -0.095 0.000 0.770 149 E HN 0.320 nan 8.360 nan 0.000 0.451 150 V N 2.128 121.935 119.914 -0.178 0.000 2.380 150 V HA -0.292 3.827 4.120 -0.002 0.000 0.251 150 V C 2.464 178.379 176.094 -0.298 0.000 1.063 150 V CA 1.207 63.374 62.300 -0.222 0.000 1.055 150 V CB -0.452 31.329 31.823 -0.069 0.000 0.657 150 V HN 0.405 nan 8.190 nan 0.000 0.455 151 I N 0.174 120.576 120.570 -0.279 0.000 2.179 151 I HA -0.205 3.964 4.170 -0.002 0.000 0.242 151 I C 2.247 178.009 176.117 -0.592 0.000 1.088 151 I CA 1.801 62.842 61.300 -0.432 0.000 1.357 151 I CB -1.171 36.565 38.000 -0.440 0.000 1.051 151 I HN 0.349 nan 8.210 nan 0.000 0.409 152 D N 0.609 120.741 120.400 -0.448 0.000 2.178 152 D HA -0.134 4.505 4.640 -0.002 0.000 0.202 152 D C 2.202 178.306 176.300 -0.327 0.000 0.974 152 D CA 0.870 54.654 54.000 -0.361 0.000 0.841 152 D CB -0.018 40.668 40.800 -0.190 0.000 0.953 152 D HN 0.302 nan 8.370 nan 0.000 0.478 153 K N 0.388 120.492 120.400 -0.494 0.000 2.147 153 K HA -0.025 4.293 4.320 -0.002 0.000 0.205 153 K C 2.003 178.196 176.600 -0.678 0.000 1.049 153 K CA 0.999 56.794 56.287 -0.819 0.000 0.936 153 K CB -0.021 31.570 32.500 -1.516 0.000 0.722 153 K HN 0.058 nan 8.250 nan 0.000 0.446 154 A N 0.822 123.399 122.820 -0.404 0.000 1.929 154 A HA -0.127 4.192 4.320 -0.002 0.000 0.216 154 A C 1.776 179.450 177.584 0.150 0.000 1.176 154 A CA 0.972 53.038 52.037 0.048 0.000 0.628 154 A CB -0.537 18.493 19.000 0.050 0.000 0.816 154 A HN 0.187 nan 8.150 nan 0.000 0.444 155 Y N 0.467 120.760 120.300 -0.012 0.000 2.293 155 Y HA -0.063 4.486 4.550 -0.002 0.000 0.291 155 Y C 2.925 178.836 175.900 0.018 0.000 1.137 155 Y CA 0.524 58.636 58.100 0.020 0.000 1.202 155 Y CB -1.029 37.443 38.460 0.019 0.000 0.990 155 Y HN 0.267 nan 8.280 nan 0.000 0.537 156 S N -0.223 115.557 115.700 0.133 0.000 2.357 156 S HA -0.114 4.355 4.470 -0.002 0.000 0.221 156 S C 2.384 177.054 174.600 0.118 0.000 1.031 156 S CA 0.856 59.109 58.200 0.089 0.000 0.982 156 S CB -0.578 62.636 63.200 0.024 0.000 0.853 156 S HN 0.476 nan 8.310 nan 0.000 0.458 157 A N 2.225 125.145 122.820 0.167 0.000 1.863 157 A HA -0.294 4.025 4.320 -0.002 0.000 0.218 157 A C 2.010 179.676 177.584 0.136 0.000 1.233 157 A CA 2.412 54.569 52.037 0.201 0.000 0.655 157 A CB -0.949 18.229 19.000 0.296 0.000 0.839 157 A HN 0.367 nan 8.150 nan 0.000 0.454 158 K N -0.219 120.270 120.400 0.148 0.000 2.034 158 K HA -0.187 4.132 4.320 -0.002 0.000 0.214 158 K C 2.074 178.724 176.600 0.083 0.000 1.051 158 K CA 2.460 58.816 56.287 0.115 0.000 0.931 158 K CB -0.654 31.926 32.500 0.133 0.000 0.715 158 K HN 0.626 nan 8.250 nan 0.000 0.446 159 M N -0.091 119.558 119.600 0.083 0.000 2.088 159 M HA -0.194 4.285 4.480 -0.002 0.000 0.256 159 M C 2.081 178.410 176.300 0.050 0.000 1.071 159 M CA 2.660 57.993 55.300 0.056 0.000 1.097 159 M CB -1.239 31.393 32.600 0.053 0.000 1.315 159 M HN 0.359 nan 8.290 nan 0.000 0.406 160 T N -2.563 112.026 114.554 0.057 0.000 3.148 160 T HA 0.001 4.350 4.350 -0.002 0.000 0.253 160 T C 0.831 175.558 174.700 0.045 0.000 1.134 160 T CA 0.223 62.351 62.100 0.048 0.000 1.051 160 T CB -0.142 68.755 68.868 0.048 0.000 0.959 160 T HN 0.486 nan 8.240 nan 0.000 0.525 161 Q N 0.405 120.236 119.800 0.052 0.000 2.480 161 Q HA -0.192 4.147 4.340 -0.002 0.000 0.265 161 Q C -0.058 175.964 176.000 0.036 0.000 1.072 161 Q CA 1.262 57.090 55.803 0.043 0.000 1.018 161 Q CB -1.623 27.134 28.738 0.031 0.000 1.433 161 Q HN 0.922 nan 8.270 nan 0.000 0.513 162 K N -0.320 120.107 120.400 0.045 0.000 2.295 162 K HA 0.770 5.089 4.320 -0.002 0.000 0.239 162 K C -2.841 173.779 176.600 0.032 0.000 0.991 162 K CA -1.791 54.514 56.287 0.030 0.000 0.845 162 K CB 3.021 35.538 32.500 0.029 0.000 1.197 162 K HN -0.262 nan 8.250 nan 0.000 0.441 163 P HA 0.601 nan 4.420 nan 0.000 0.307 163 P C -0.685 176.560 177.300 -0.091 0.000 1.307 163 P CA -0.449 62.633 63.100 -0.030 0.000 0.814 163 P CB 1.877 33.553 31.700 -0.041 0.000 1.311 164 G N -1.588 107.089 108.800 -0.206 0.000 2.348 164 G HA2 0.583 4.542 3.960 -0.002 0.000 0.296 164 G HA3 0.583 4.542 3.960 -0.002 0.000 0.296 164 G C -1.696 172.856 174.900 -0.580 0.000 1.258 164 G CA -0.063 44.790 45.100 -0.412 0.000 0.868 164 G HN 0.853 nan 8.290 nan 0.000 0.488 165 T N -2.281 111.733 114.554 -0.901 0.000 3.393 165 T HA 0.625 4.973 4.350 -0.002 0.000 0.359 165 T C -1.661 172.524 174.700 -0.857 0.000 1.380 165 T CA -0.661 60.987 62.100 -0.754 0.000 1.132 165 T CB 0.901 69.549 68.868 -0.368 0.000 1.284 165 T HN 0.929 nan 8.240 nan 0.000 0.477 166 F N 1.644 121.525 119.950 -0.116 0.000 2.522 166 F HA 0.640 5.166 4.527 -0.002 0.000 0.324 166 F C 0.442 176.162 175.800 -0.135 0.000 1.077 166 F CA -1.221 56.712 58.000 -0.111 0.000 0.944 166 F CB 1.468 40.408 39.000 -0.100 0.000 1.175 166 F HN 0.453 nan 8.300 nan 0.000 0.468 167 N N 1.605 120.336 118.700 0.053 0.000 2.444 167 N HA 0.373 5.112 4.740 -0.002 0.000 0.271 167 N C -0.647 174.834 175.510 -0.049 0.000 1.069 167 N CA -0.330 52.683 53.050 -0.061 0.000 0.965 167 N CB 1.573 39.999 38.487 -0.103 0.000 1.092 167 N HN 0.519 nan 8.380 nan 0.000 0.476 168 V N 0.339 120.204 119.914 -0.082 0.000 2.785 168 V HA 0.451 4.569 4.120 -0.002 0.000 0.300 168 V C 1.161 177.168 176.094 -0.145 0.000 1.062 168 V CA -0.346 61.915 62.300 -0.064 0.000 1.029 168 V CB 1.430 33.253 31.823 0.000 0.000 1.024 168 V HN 0.692 nan 8.190 nan 0.000 0.477 169 S N 1.538 117.177 115.700 -0.101 0.000 2.460 169 S HA 0.413 4.882 4.470 -0.002 0.000 0.226 169 S C 0.293 174.866 174.600 -0.044 0.000 1.057 169 S CA 0.227 58.366 58.200 -0.102 0.000 0.948 169 S CB -0.454 62.741 63.200 -0.009 0.000 0.822 169 S HN 1.196 nan 8.310 nan 0.000 0.512 176 N N 0.004 118.739 118.700 0.059 0.000 2.444 176 N HA -0.049 4.690 4.740 -0.002 0.000 0.335 176 N C -0.037 175.504 175.510 0.051 0.000 1.190 176 N CA -0.024 53.056 53.050 0.049 0.000 2.067 176 N CB 0.446 38.959 38.487 0.043 0.000 2.132 176 N HN 0.329 nan 8.380 nan 0.000 1.114 177 R N 0.673 121.208 120.500 0.059 0.000 2.642 177 R HA 0.361 4.700 4.340 -0.002 0.000 0.103 177 R C -0.414 175.920 176.300 0.056 0.000 1.144 177 R CA 0.123 56.258 56.100 0.058 0.000 0.955 177 R CB 0.127 30.467 30.300 0.066 0.000 0.817 177 R HN 0.129 nan 8.270 nan 0.000 0.381 178 E N 0.365 120.598 120.200 0.055 0.000 3.303 178 E HA 0.104 4.453 4.350 -0.002 0.000 0.142 178 E C -0.750 175.874 176.600 0.041 0.000 0.921 178 E CA -0.138 56.285 56.400 0.039 0.000 1.460 178 E CB 0.534 30.256 29.700 0.037 0.000 1.036 178 E HN 0.167 nan 8.360 nan 0.000 0.407 179 Q N 1.333 121.162 119.800 0.048 0.000 2.628 179 Q HA 0.306 4.645 4.340 -0.002 0.000 0.397 179 Q C 0.190 176.207 176.000 0.028 0.000 0.916 179 Q CA -0.028 55.796 55.803 0.035 0.000 1.071 179 Q CB 1.140 29.923 28.738 0.074 0.000 1.367 179 Q HN 0.441 nan 8.270 nan 0.000 0.404 180 R N -0.808 119.702 120.500 0.017 0.000 2.612 180 R HA 0.166 4.505 4.340 -0.002 0.000 0.260 180 R C 0.355 176.698 176.300 0.071 0.000 0.943 180 R CA 0.206 56.343 56.100 0.063 0.000 1.036 180 R CB 0.951 31.294 30.300 0.071 0.000 1.520 180 R HN 0.064 nan 8.270 nan 0.000 0.563 181 V N 0.877 120.750 119.914 -0.068 0.000 3.159 181 V HA 0.437 4.556 4.120 -0.002 0.000 0.333 181 V C 1.018 176.873 176.094 -0.399 0.000 1.424 181 V CA 0.690 62.827 62.300 -0.272 0.000 1.125 181 V CB 0.840 32.464 31.823 -0.332 0.000 1.075 181 V HN 0.408 nan 8.190 nan 0.000 0.482 182 A N 0.387 123.024 122.820 -0.305 0.000 1.930 182 A HA -0.162 4.157 4.320 -0.002 0.000 0.217 182 A C 1.831 179.107 177.584 -0.514 0.000 1.175 182 A CA 2.012 53.837 52.037 -0.353 0.000 0.627 182 A CB -0.649 18.104 19.000 -0.411 0.000 0.815 182 A HN 0.928 nan 8.150 nan 0.000 0.443 183 Y N -2.409 117.567 120.300 -0.539 0.000 2.298 183 Y HA -0.165 4.384 4.550 -0.002 0.000 0.287 183 Y C 1.859 177.791 175.900 0.053 0.000 1.164 183 Y CA 1.094 59.017 58.100 -0.295 0.000 1.229 183 Y CB -0.873 37.639 38.460 0.088 0.000 0.977 183 Y HN 0.263 nan 8.280 nan 0.000 0.538 184 F N 1.569 121.099 119.950 -0.700 0.000 2.094 184 F HA 0.180 4.706 4.527 -0.002 0.000 0.291 184 F C 2.488 178.202 175.800 -0.143 0.000 1.109 184 F CA 1.726 59.492 58.000 -0.389 0.000 1.221 184 F CB -0.748 37.931 39.000 -0.534 0.000 1.014 184 F HN 0.059 nan 8.300 nan 0.000 0.473 185 G N -0.539 108.312 108.800 0.085 0.000 2.422 185 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.218 185 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.218 185 G C 1.268 176.142 174.900 -0.043 0.000 1.140 185 G CA 0.655 45.795 45.100 0.067 0.000 0.775 185 G HN 0.476 nan 8.290 nan 0.000 0.545 186 E N 0.406 120.592 120.200 -0.024 0.000 2.465 186 E HA 0.048 4.397 4.350 -0.002 0.000 0.191 186 E C -0.030 176.611 176.600 0.069 0.000 1.053 186 E CA -0.403 56.018 56.400 0.034 0.000 0.869 186 E CB 0.315 30.078 29.700 0.104 0.000 0.977 186 E HN 0.300 nan 8.360 nan 0.000 0.483 187 D N 1.228 121.633 120.400 0.007 0.000 2.351 187 D HA -0.020 4.619 4.640 -0.002 0.000 0.251 187 D C 1.307 177.594 176.300 -0.023 0.000 1.137 187 D CA -0.197 53.803 54.000 0.000 0.000 0.879 187 D CB 1.042 41.816 40.800 -0.042 0.000 1.181 187 D HN 0.145 nan 8.370 nan 0.000 0.448 188 I N 1.287 121.809 120.570 -0.080 0.000 2.916 188 I HA 0.080 4.249 4.170 -0.002 0.000 0.267 188 I C 1.619 177.701 176.117 -0.058 0.000 1.263 188 I CA 0.673 61.907 61.300 -0.110 0.000 1.471 188 I CB -0.086 37.531 38.000 -0.639 0.000 1.089 188 I HN 0.335 nan 8.210 nan 0.000 0.468 189 G N 0.921 109.657 108.800 -0.105 0.000 2.441 189 G HA2 0.005 3.964 3.960 -0.002 0.000 0.212 189 G HA3 0.005 3.964 3.960 -0.002 0.000 0.212 189 G C 1.559 176.486 174.900 0.045 0.000 1.164 189 G CA 0.194 45.269 45.100 -0.041 0.000 0.811 189 G HN 0.139 nan 8.290 nan 0.000 0.535 190 M N 1.092 120.679 119.600 -0.021 0.000 2.077 190 M HA -0.026 4.453 4.480 -0.002 0.000 0.261 190 M C 2.278 178.651 176.300 0.121 0.000 1.070 190 M CA 1.046 56.341 55.300 -0.009 0.000 1.125 190 M CB -1.401 31.044 32.600 -0.259 0.000 1.339 190 M HN 0.308 nan 8.290 nan 0.000 0.409 191 N N 0.361 119.129 118.700 0.113 0.000 2.060 191 N HA -0.196 4.543 4.740 -0.002 0.000 0.195 191 N C 1.704 177.435 175.510 0.368 0.000 1.028 191 N CA 1.073 54.242 53.050 0.200 0.000 0.861 191 N CB -0.029 38.551 38.487 0.155 0.000 1.029 191 N HN 0.170 nan 8.380 nan 0.000 0.428 192 I N 1.165 121.979 120.570 0.408 0.000 2.058 192 I HA -0.290 3.879 4.170 -0.002 0.000 0.235 192 I C 2.425 178.723 176.117 0.302 0.000 1.053 192 I CA 1.661 63.167 61.300 0.343 0.000 1.313 192 I CB -1.658 36.483 38.000 0.235 0.000 1.039 192 I HN 0.283 nan 8.210 nan 0.000 0.396 193 H N 0.581 119.761 119.070 0.183 0.000 2.297 193 H HA -0.306 4.249 4.556 -0.002 0.000 0.289 193 H C 2.465 177.965 175.328 0.288 0.000 1.105 193 H CA 2.684 58.844 56.048 0.187 0.000 1.219 193 H CB -0.909 28.919 29.762 0.110 0.000 1.351 193 H HN 0.506 nan 8.280 nan 0.000 0.481 194 H N -0.846 118.160 119.070 -0.107 0.000 2.289 194 H HA -0.177 4.378 4.556 -0.002 0.000 0.294 194 H C 2.504 177.889 175.328 0.095 0.000 1.095 194 H CA 2.333 58.304 56.048 -0.128 0.000 1.256 194 H CB -0.116 29.610 29.762 -0.060 0.000 1.359 194 H HN 0.381 nan 8.280 nan 0.000 0.487 195 V N -0.837 119.212 119.914 0.226 0.000 2.307 195 V HA -0.178 3.941 4.120 -0.002 0.000 0.245 195 V C 2.130 178.386 176.094 0.269 0.000 1.045 195 V CA 2.239 64.699 62.300 0.266 0.000 1.024 195 V CB -0.944 31.066 31.823 0.312 0.000 0.651 195 V HN 0.449 nan 8.190 nan 0.000 0.449 196 T N -0.686 114.001 114.554 0.221 0.000 2.635 196 T HA -0.285 4.064 4.350 -0.002 0.000 0.267 196 T C 1.288 176.063 174.700 0.125 0.000 1.040 196 T CA 2.384 64.581 62.100 0.161 0.000 1.156 196 T CB -0.721 68.246 68.868 0.166 0.000 0.863 196 T HN 0.820 nan 8.240 nan 0.000 0.430 197 W N 1.741 123.045 121.300 0.007 0.000 2.313 197 W HA -0.198 4.461 4.660 -0.002 0.000 0.293 197 W C 1.814 178.309 176.519 -0.040 0.000 1.216 197 W CA 1.371 58.693 57.345 -0.039 0.000 1.223 197 W CB -0.238 29.069 29.460 -0.255 0.000 1.138 197 W HN 0.433 nan 8.180 nan 0.000 0.535 198 H N -1.167 118.040 119.070 0.228 0.000 2.519 198 H HA 0.176 4.731 4.556 -0.002 0.000 0.289 198 H C 1.456 176.821 175.328 0.062 0.000 1.040 198 H CA 0.736 56.879 56.048 0.158 0.000 1.165 198 H CB -0.024 29.750 29.762 0.020 0.000 1.462 198 H HN 0.337 nan 8.280 nan 0.000 0.555 199 M N -0.692 118.931 119.600 0.037 0.000 2.564 199 M HA 0.009 4.488 4.480 -0.002 0.000 0.254 199 M C 1.048 177.261 176.300 -0.146 0.000 1.299 199 M CA 0.329 55.620 55.300 -0.016 0.000 1.143 199 M CB 0.755 33.368 32.600 0.021 0.000 1.427 199 M HN -0.035 nan 8.290 nan 0.000 0.538 200 D N 0.617 120.806 120.400 -0.350 0.000 2.084 200 D HA -0.048 4.591 4.640 -0.002 0.000 0.196 200 D C -0.219 175.479 176.300 -1.004 0.000 0.985 200 D CA 1.560 55.119 54.000 -0.734 0.000 0.826 200 D CB 0.142 40.405 40.800 -0.895 0.000 0.978 200 D HN 0.215 nan 8.370 nan 0.000 0.456 201 F N 0.340 119.859 119.950 -0.717 0.000 2.564 201 F HA 0.380 4.906 4.527 -0.002 0.000 0.368 201 F C -2.372 173.062 175.800 -0.611 0.000 1.127 201 F CA -2.438 55.094 58.000 -0.779 0.000 1.170 201 F CB 1.485 39.932 39.000 -0.922 0.000 1.397 201 F HN -0.261 nan 8.300 nan 0.000 0.493 202 P HA 0.125 nan 4.420 nan 0.000 0.278 202 P C 0.772 177.788 177.300 -0.474 0.000 1.238 202 P CA -0.497 62.186 63.100 -0.695 0.000 0.794 202 P CB 0.578 31.260 31.700 -1.697 0.000 0.955 203 F N 1.149 121.042 119.950 -0.095 0.000 2.234 203 F HA -0.015 4.511 4.527 -0.002 0.000 0.299 203 F C 1.496 177.334 175.800 0.065 0.000 1.087 203 F CA 0.270 58.306 58.000 0.061 0.000 1.340 203 F CB -1.542 37.604 39.000 0.244 0.000 1.031 203 F HN 0.392 nan 8.300 nan 0.000 0.500 204 W N -0.608 120.649 121.300 -0.072 0.000 3.180 204 W HA 0.102 4.761 4.660 -0.002 0.000 0.254 204 W C 0.524 177.160 176.519 0.195 0.000 1.318 204 W CA -1.208 56.182 57.345 0.075 0.000 1.608 204 W CB -1.133 28.255 29.460 -0.119 0.000 1.124 204 W HN 0.088 nan 8.180 nan 0.000 0.694 205 W N 4.602 125.821 121.300 -0.136 0.000 2.251 205 W HA 0.160 4.819 4.660 -0.002 0.000 0.327 205 W C -0.582 176.053 176.519 0.193 0.000 1.361 205 W CA 0.582 57.933 57.345 0.010 0.000 1.234 205 W CB 0.641 29.867 29.460 -0.389 0.000 1.212 205 W HN 0.014 nan 8.180 nan 0.000 0.557 206 E N 3.605 123.665 120.200 -0.234 0.000 2.212 206 E HA 0.049 4.398 4.350 -0.002 0.000 0.268 206 E C -0.269 175.920 176.600 -0.684 0.000 0.902 206 E CA -0.625 55.577 56.400 -0.331 0.000 0.779 206 E CB 1.471 30.896 29.700 -0.458 0.000 1.172 206 E HN 0.343 nan 8.360 nan 0.000 0.409 207 D N 0.605 120.852 120.400 -0.254 0.000 2.371 207 D HA -0.056 4.583 4.640 -0.002 0.000 0.234 207 D C 0.951 177.110 176.300 -0.235 0.000 1.049 207 D CA 0.562 54.474 54.000 -0.146 0.000 0.907 207 D CB 0.166 41.037 40.800 0.118 0.000 0.891 207 D HN 0.160 nan 8.370 nan 0.000 0.531 208 S N -0.127 115.314 115.700 -0.432 0.000 2.414 208 S HA -0.123 4.346 4.470 -0.002 0.000 0.227 208 S C 1.179 175.579 174.600 -0.334 0.000 1.022 208 S CA 0.335 58.320 58.200 -0.358 0.000 0.958 208 S CB -0.270 62.676 63.200 -0.423 0.000 0.797 208 S HN 0.337 nan 8.310 nan 0.000 0.493 209 Y N 1.769 121.812 120.300 -0.429 0.000 2.556 209 Y HA 0.068 4.617 4.550 -0.002 0.000 0.290 209 Y C 2.145 177.925 175.900 -0.200 0.000 1.149 209 Y CA 0.350 58.170 58.100 -0.467 0.000 1.329 209 Y CB -0.826 37.050 38.460 -0.972 0.000 0.975 209 Y HN 0.432 nan 8.280 nan 0.000 0.561 210 G N -2.512 106.299 108.800 0.019 0.000 2.705 210 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.193 210 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.193 210 G C -0.192 175.018 174.900 0.517 0.000 1.015 210 G CA -0.145 45.138 45.100 0.305 0.000 0.743 210 G HN 0.369 nan 8.290 nan 0.000 0.476 211 Y N -1.193 119.398 120.300 0.485 0.000 2.905 211 Y HA 0.839 5.388 4.550 -0.002 0.000 0.322 211 Y C -0.669 175.620 175.900 0.649 0.000 1.455 211 Y CA -1.542 56.837 58.100 0.466 0.000 1.083 211 Y CB 0.557 39.256 38.460 0.398 0.000 1.473 211 Y HN 0.346 nan 8.280 nan 0.000 0.449 212 H N 0.531 119.928 119.070 0.545 0.000 2.658 212 H HA 0.625 5.180 4.556 -0.002 0.000 0.337 212 H C -1.820 173.759 175.328 0.418 0.000 1.009 212 H CA -0.840 55.505 56.048 0.494 0.000 1.231 212 H CB 1.073 31.038 29.762 0.339 0.000 1.508 212 H HN 0.623 nan 8.280 nan 0.000 0.517 213 L N 5.331 126.609 121.223 0.092 0.000 2.433 213 L HA 0.031 4.370 4.340 -0.002 0.000 0.275 213 L C 1.463 178.418 176.870 0.142 0.000 1.128 213 L CA 0.458 55.356 54.840 0.097 0.000 0.875 213 L CB 0.237 42.232 42.059 -0.107 0.000 1.171 213 L HN 0.862 nan 8.230 nan 0.000 0.463 214 D N 2.588 123.198 120.400 0.350 0.000 2.242 214 D HA -0.214 4.425 4.640 -0.002 0.000 0.193 214 D C 1.261 177.742 176.300 0.301 0.000 1.005 214 D CA 1.924 56.159 54.000 0.391 0.000 0.856 214 D CB 0.298 41.265 40.800 0.278 0.000 1.001 214 D HN 0.493 nan 8.370 nan 0.000 0.452 215 R N -0.660 119.907 120.500 0.112 0.000 2.662 215 R HA 0.204 4.543 4.340 -0.002 0.000 0.396 215 R C -0.405 175.881 176.300 -0.024 0.000 1.096 215 R CA -0.279 55.857 56.100 0.061 0.000 1.081 215 R CB 0.767 31.067 30.300 0.000 0.000 1.382 215 R HN 0.061 nan 8.270 nan 0.000 0.580 216 K N 0.650 121.009 120.400 -0.068 0.000 2.405 216 K HA 0.074 4.392 4.320 -0.002 0.000 0.276 216 K C 0.766 177.400 176.600 0.057 0.000 1.099 216 K CA 0.803 57.029 56.287 -0.102 0.000 1.120 216 K CB 0.675 33.094 32.500 -0.135 0.000 0.877 216 K HN 0.432 nan 8.250 nan 0.000 0.472 217 G N 3.142 112.026 108.800 0.140 0.000 3.957 217 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.131 217 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.131 217 G C 0.747 175.769 174.900 0.204 0.000 2.236 217 G CA -0.485 44.722 45.100 0.179 0.000 1.096 217 G HN 0.537 nan 8.290 nan 0.000 0.322 218 E N 0.569 120.850 120.200 0.135 0.000 2.072 218 E HA 0.006 4.355 4.350 -0.002 0.000 0.191 218 E C 2.535 179.196 176.600 0.102 0.000 0.985 218 E CA 1.016 57.511 56.400 0.158 0.000 0.801 218 E CB -0.005 29.746 29.700 0.085 0.000 0.750 218 E HN 0.263 nan 8.360 nan 0.000 0.452 219 L N 0.537 121.763 121.223 0.005 0.000 1.990 219 L HA -0.201 4.138 4.340 -0.002 0.000 0.213 219 L C 2.246 179.087 176.870 -0.049 0.000 1.072 219 L CA 1.622 56.452 54.840 -0.016 0.000 0.755 219 L CB -1.075 40.875 42.059 -0.183 0.000 0.889 219 L HN 0.124 nan 8.230 nan 0.000 0.432 220 F N -0.303 119.618 119.950 -0.048 0.000 2.069 220 F HA -0.330 4.196 4.527 -0.002 0.000 0.298 220 F C 2.536 178.237 175.800 -0.166 0.000 1.113 220 F CA 1.590 59.512 58.000 -0.130 0.000 1.214 220 F CB -0.675 38.414 39.000 0.149 0.000 0.978 220 F HN 0.166 nan 8.300 nan 0.000 0.474 221 F N 0.812 120.702 119.950 -0.100 0.000 2.032 221 F HA -0.332 4.194 4.527 -0.002 0.000 0.297 221 F C 2.377 177.990 175.800 -0.312 0.000 1.125 221 F CA 2.373 60.010 58.000 -0.606 0.000 1.202 221 F CB -1.619 36.912 39.000 -0.782 0.000 0.958 221 F HN 0.338 nan 8.300 nan 0.000 0.491 222 W N 1.180 121.794 121.300 -1.143 0.000 2.333 222 W HA -0.234 4.425 4.660 -0.002 0.000 0.316 222 W C 2.294 178.362 176.519 -0.752 0.000 1.215 222 W CA 2.366 59.081 57.345 -1.049 0.000 1.278 222 W CB -0.638 28.466 29.460 -0.593 0.000 1.154 222 W HN -0.047 nan 8.180 nan 0.000 0.486 223 V N 0.648 120.060 119.914 -0.837 0.000 2.380 223 V HA -0.351 3.768 4.120 -0.002 0.000 0.251 223 V C 1.873 177.347 176.094 -1.032 0.000 1.063 223 V CA 2.525 64.165 62.300 -1.102 0.000 1.055 223 V CB -1.209 29.577 31.823 -1.728 0.000 0.657 223 V HN 0.283 nan 8.190 nan 0.000 0.455 224 H N -2.113 116.551 119.070 -0.677 0.000 2.448 224 H HA -0.045 4.510 4.556 -0.002 0.000 0.292 224 H C 2.299 177.451 175.328 -0.293 0.000 1.035 224 H CA 1.120 56.918 56.048 -0.416 0.000 1.349 224 H CB -0.086 29.435 29.762 -0.402 0.000 1.425 224 H HN 0.524 nan 8.280 nan 0.000 0.539 225 H N 1.013 119.790 119.070 -0.488 0.000 2.387 225 H HA -0.103 4.452 4.556 -0.002 0.000 0.299 225 H C 1.587 176.569 175.328 -0.577 0.000 1.090 225 H CA 1.217 56.939 56.048 -0.545 0.000 1.332 225 H CB 0.437 29.649 29.762 -0.916 0.000 1.386 225 H HN 0.452 nan 8.280 nan 0.000 0.516 226 Q N -0.119 119.177 119.800 -0.840 0.000 2.096 226 Q HA -0.070 4.269 4.340 -0.002 0.000 0.197 226 Q C 2.566 178.362 176.000 -0.340 0.000 0.964 226 Q CA 0.534 55.895 55.803 -0.737 0.000 0.838 226 Q CB 0.269 28.483 28.738 -0.874 0.000 0.906 226 Q HN 0.304 nan 8.270 nan 0.000 0.444 227 L N 0.351 121.456 121.223 -0.196 0.000 2.013 227 L HA -0.228 4.111 4.340 -0.002 0.000 0.212 227 L C 2.399 179.358 176.870 0.150 0.000 1.073 227 L CA 1.928 56.838 54.840 0.117 0.000 0.753 227 L CB -0.997 41.194 42.059 0.221 0.000 0.890 227 L HN 0.204 nan 8.230 nan 0.000 0.432 228 T N -0.717 113.891 114.554 0.089 0.000 2.737 228 T HA -0.251 4.098 4.350 -0.002 0.000 0.269 228 T C 1.889 176.584 174.700 -0.008 0.000 1.040 228 T CA 1.398 63.580 62.100 0.136 0.000 1.142 228 T CB -0.429 68.533 68.868 0.157 0.000 0.861 228 T HN 0.467 nan 8.240 nan 0.000 0.456 229 A N 1.843 124.531 122.820 -0.221 0.000 1.840 229 A HA -0.029 4.290 4.320 -0.002 0.000 0.214 229 A C 2.375 179.865 177.584 -0.157 0.000 1.198 229 A CA 1.057 52.945 52.037 -0.249 0.000 0.608 229 A CB -0.484 18.232 19.000 -0.472 0.000 0.839 229 A HN 0.395 nan 8.150 nan 0.000 0.443 230 R N -1.649 118.775 120.500 -0.126 0.000 2.113 230 R HA -0.207 4.132 4.340 -0.002 0.000 0.244 230 R C 2.011 178.092 176.300 -0.365 0.000 1.142 230 R CA 1.806 57.855 56.100 -0.085 0.000 0.953 230 R CB -0.745 29.597 30.300 0.070 0.000 0.860 230 R HN 0.553 nan 8.270 nan 0.000 0.438 231 F N 2.430 121.965 119.950 -0.692 0.000 2.046 231 F HA -0.235 4.291 4.527 -0.002 0.000 0.297 231 F C 1.929 177.342 175.800 -0.644 0.000 1.123 231 F CA 1.766 59.113 58.000 -1.089 0.000 1.199 231 F CB -0.440 37.836 39.000 -1.208 0.000 0.972 231 F HN -0.072 nan 8.300 nan 0.000 0.474 232 D N -0.060 120.092 120.400 -0.414 0.000 2.149 232 D HA -0.236 4.403 4.640 -0.002 0.000 0.194 232 D C 2.299 178.298 176.300 -0.502 0.000 1.001 232 D CA 1.463 55.207 54.000 -0.426 0.000 0.849 232 D CB -0.604 40.095 40.800 -0.169 0.000 0.939 232 D HN 0.256 nan 8.370 nan 0.000 0.449 233 F N 1.633 121.308 119.950 -0.458 0.000 2.046 233 F HA -0.177 4.349 4.527 -0.002 0.000 0.297 233 F C 2.443 177.979 175.800 -0.439 0.000 1.123 233 F CA 1.183 58.933 58.000 -0.417 0.000 1.199 233 F CB -0.403 38.371 39.000 -0.377 0.000 0.972 233 F HN -0.070 nan 8.300 nan 0.000 0.474 234 E N 0.400 120.421 120.200 -0.299 0.000 2.097 234 E HA -0.249 4.100 4.350 -0.002 0.000 0.196 234 E C 2.126 178.490 176.600 -0.394 0.000 1.000 234 E CA 1.681 57.884 56.400 -0.329 0.000 0.804 234 E CB -0.647 28.780 29.700 -0.454 0.000 0.740 234 E HN 0.572 nan 8.360 nan 0.000 0.454 235 R N 0.506 120.649 120.500 -0.594 0.000 2.189 235 R HA -0.026 4.313 4.340 -0.002 0.000 0.223 235 R C 2.366 178.447 176.300 -0.365 0.000 1.092 235 R CA 0.695 56.490 56.100 -0.509 0.000 0.989 235 R CB -0.528 29.399 30.300 -0.621 0.000 0.876 235 R HN 0.052 nan 8.270 nan 0.000 0.457 236 L N 1.486 122.509 121.223 -0.334 0.000 2.005 236 L HA -0.067 4.272 4.340 -0.002 0.000 0.207 236 L C 1.885 178.529 176.870 -0.377 0.000 1.072 236 L CA 1.871 56.547 54.840 -0.273 0.000 0.744 236 L CB -0.449 41.494 42.059 -0.193 0.000 0.895 236 L HN 0.109 nan 8.230 nan 0.000 0.433 237 S N 0.074 115.573 115.700 -0.336 0.000 2.493 237 S HA -0.084 4.385 4.470 -0.002 0.000 0.243 237 S C 1.193 175.333 174.600 -0.766 0.000 0.991 237 S CA 0.989 58.908 58.200 -0.469 0.000 0.957 237 S CB -0.526 62.522 63.200 -0.252 0.000 0.756 237 S HN 0.522 nan 8.310 nan 0.000 0.521 238 N N -0.510 117.813 118.700 -0.628 0.000 2.328 238 N HA 0.123 4.862 4.740 -0.002 0.000 0.247 238 N C -0.779 174.467 175.510 -0.440 0.000 1.165 238 N CA -0.124 52.582 53.050 -0.574 0.000 0.873 238 N CB 0.186 38.549 38.487 -0.206 0.000 1.125 238 N HN 0.533 nan 8.380 nan 0.000 0.513 239 W N 0.028 121.312 121.300 -0.027 0.000 3.520 239 W HA -0.240 4.418 4.660 -0.002 0.000 0.305 239 W C -0.298 176.196 176.519 -0.041 0.000 1.150 239 W CA -0.229 57.100 57.345 -0.027 0.000 0.656 239 W CB -2.197 27.257 29.460 -0.010 0.000 2.198 239 W HN 0.052 nan 8.180 nan 0.000 1.417 240 L N 1.027 122.241 121.223 -0.015 0.000 2.360 240 L HA 0.400 4.739 4.340 -0.002 0.000 0.271 240 L C 0.862 177.683 176.870 -0.080 0.000 1.057 240 L CA -0.632 54.179 54.840 -0.049 0.000 0.803 240 L CB 0.624 42.607 42.059 -0.127 0.000 1.207 240 L HN -0.193 nan 8.230 nan 0.000 0.445 241 D N 1.767 122.134 120.400 -0.055 0.000 2.175 241 D HA 0.298 4.937 4.640 -0.002 0.000 0.248 241 D C -2.218 174.039 176.300 -0.071 0.000 1.047 241 D CA -1.090 52.880 54.000 -0.049 0.000 0.883 241 D CB 1.688 42.487 40.800 -0.002 0.000 1.180 241 D HN 0.178 nan 8.370 nan 0.000 0.438 242 P HA -0.133 nan 4.420 nan 0.000 0.268 242 P C -0.267 177.047 177.300 0.024 0.000 1.171 242 P CA 0.079 63.169 63.100 -0.017 0.000 0.761 242 P CB 0.362 32.134 31.700 0.120 0.000 0.786 243 V N -0.193 119.755 119.914 0.057 0.000 2.637 243 V HA 0.160 4.279 4.120 -0.002 0.000 0.296 243 V C 0.105 176.250 176.094 0.086 0.000 1.046 243 V CA -0.905 61.456 62.300 0.102 0.000 1.066 243 V CB 0.054 32.010 31.823 0.222 0.000 0.968 243 V HN 0.389 nan 8.190 nan 0.000 0.483 244 D N 2.828 123.260 120.400 0.053 0.000 2.449 244 D HA 0.103 4.742 4.640 -0.002 0.000 0.236 244 D C 0.111 176.400 176.300 -0.018 0.000 1.149 244 D CA 0.132 54.140 54.000 0.014 0.000 0.878 244 D CB 0.492 41.287 40.800 -0.009 0.000 1.198 244 D HN 0.932 nan 8.370 nan 0.000 0.446 245 E N 0.666 120.824 120.200 -0.070 0.000 2.249 245 E HA 0.290 4.639 4.350 -0.002 0.000 0.280 245 E C -0.850 175.533 176.600 -0.362 0.000 1.016 245 E CA -0.930 55.396 56.400 -0.123 0.000 0.830 245 E CB 0.925 30.581 29.700 -0.075 0.000 1.081 245 E HN 0.391 nan 8.360 nan 0.000 0.395 246 L N 4.539 125.540 121.223 -0.370 0.000 2.349 246 L HA 0.293 4.632 4.340 -0.002 0.000 0.275 246 L C -1.276 175.115 176.870 -0.798 0.000 1.115 246 L CA 0.151 54.662 54.840 -0.547 0.000 0.820 246 L CB 0.634 42.354 42.059 -0.564 0.000 1.135 246 L HN 0.631 nan 8.230 nan 0.000 0.445 247 H N 2.307 121.156 119.070 -0.369 0.000 2.622 247 H HA 0.271 4.826 4.556 -0.002 0.000 0.363 247 H C -0.713 174.347 175.328 -0.446 0.000 1.151 247 H CA -0.382 55.456 56.048 -0.351 0.000 1.184 247 H CB 0.920 30.640 29.762 -0.071 0.000 1.643 247 H HN 0.735 nan 8.280 nan 0.000 0.531 248 W N 0.369 121.621 121.300 -0.080 0.000 2.770 248 W HA -0.000 4.659 4.660 -0.002 0.000 0.256 248 W C 0.725 177.225 176.519 -0.031 0.000 1.291 248 W CA 0.531 57.714 57.345 -0.270 0.000 1.396 248 W CB 0.056 29.308 29.460 -0.345 0.000 1.114 248 W HN 0.728 nan 8.180 nan 0.000 0.637 249 D N -0.973 119.565 120.400 0.231 0.000 2.339 249 D HA 0.012 4.651 4.640 -0.002 0.000 0.217 249 D C 0.991 177.421 176.300 0.217 0.000 1.050 249 D CA 0.208 54.328 54.000 0.199 0.000 0.856 249 D CB 0.028 40.908 40.800 0.133 0.000 0.922 249 D HN -0.173 nan 8.370 nan 0.000 0.518 250 R N 0.796 121.436 120.500 0.233 0.000 2.875 250 R HA 0.545 4.884 4.340 -0.002 0.000 0.251 250 R C 0.445 176.857 176.300 0.186 0.000 1.123 250 R CA -1.076 55.151 56.100 0.212 0.000 1.064 250 R CB 0.620 31.038 30.300 0.197 0.000 1.205 250 R HN 0.137 nan 8.270 nan 0.000 0.503 251 I N -0.994 119.590 120.570 0.024 0.000 2.720 251 I HA 0.285 4.454 4.170 -0.002 0.000 0.287 251 I C 0.421 176.482 176.117 -0.093 0.000 1.090 251 I CA -0.296 60.879 61.300 -0.207 0.000 1.384 251 I CB 0.254 38.069 38.000 -0.309 0.000 1.420 251 I HN 0.313 nan 8.210 nan 0.000 0.575 252 I N 5.293 125.765 120.570 -0.164 0.000 2.243 252 I HA 0.172 4.341 4.170 -0.002 0.000 0.297 252 I C 1.424 177.457 176.117 -0.139 0.000 1.161 252 I CA -0.327 60.869 61.300 -0.173 0.000 1.298 252 I CB 0.034 37.834 38.000 -0.333 0.000 1.475 252 I HN 0.689 nan 8.210 nan 0.000 0.561 253 R N 2.939 123.383 120.500 -0.093 0.000 2.132 253 R HA -0.158 4.181 4.340 -0.002 0.000 0.233 253 R C 0.619 176.887 176.300 -0.052 0.000 1.125 253 R CA 1.566 57.628 56.100 -0.063 0.000 0.914 253 R CB -0.103 30.177 30.300 -0.033 0.000 0.845 253 R HN 0.473 nan 8.270 nan 0.000 0.431 254 E N 0.494 120.665 120.200 -0.047 0.000 2.014 254 E HA 0.299 4.648 4.350 -0.002 0.000 0.275 254 E C -0.739 175.838 176.600 -0.038 0.000 0.997 254 E CA -0.176 56.208 56.400 -0.027 0.000 0.804 254 E CB 0.950 30.645 29.700 -0.009 0.000 1.090 254 E HN 0.360 nan 8.360 nan 0.000 0.401 255 G N 2.854 111.650 108.800 -0.006 0.000 2.471 255 G HA2 0.607 4.566 3.960 -0.002 0.000 0.332 255 G HA3 0.607 4.566 3.960 -0.002 0.000 0.332 255 G C -1.144 173.857 174.900 0.168 0.000 1.176 255 G CA -0.570 44.549 45.100 0.031 0.000 0.949 255 G HN 0.387 nan 8.290 nan 0.000 0.488 256 F N -0.665 119.262 119.950 -0.037 0.000 2.664 256 F HA 0.880 5.406 4.527 -0.002 0.000 0.317 256 F C -0.694 175.092 175.800 -0.024 0.000 1.108 256 F CA -3.086 54.900 58.000 -0.023 0.000 0.957 256 F CB 1.539 40.529 39.000 -0.018 0.000 1.365 256 F HN 0.782 nan 8.300 nan 0.000 0.475 257 A N 2.845 125.438 122.820 -0.379 0.000 2.304 257 A HA 0.705 5.023 4.320 -0.002 0.000 0.314 257 A C -2.351 174.631 177.584 -1.004 0.000 1.187 257 A CA -1.451 50.291 52.037 -0.493 0.000 0.810 257 A CB 0.847 19.718 19.000 -0.215 0.000 1.183 257 A HN 0.652 nan 8.150 nan 0.000 0.487 258 P HA 0.050 nan 4.420 nan 0.000 0.230 258 P C 0.277 177.358 177.300 -0.365 0.000 1.168 258 P CA 0.162 62.747 63.100 -0.858 0.000 0.793 258 P CB 0.030 31.399 31.700 -0.552 0.000 0.851 259 L N -0.053 121.033 121.223 -0.228 0.000 3.839 259 L HA -0.153 4.186 4.340 -0.002 0.000 0.416 259 L C -0.224 176.622 176.870 -0.040 0.000 1.195 259 L CA 1.083 55.864 54.840 -0.099 0.000 0.946 259 L CB -3.150 38.848 42.059 -0.102 0.000 1.891 259 L HN 0.080 nan 8.230 nan 0.000 0.963 260 T N -1.149 113.406 114.554 0.002 0.000 2.912 260 T HA 0.785 5.134 4.350 -0.002 0.000 0.288 260 T C 0.250 175.208 174.700 0.430 0.000 1.030 260 T CA -0.374 61.782 62.100 0.095 0.000 1.020 260 T CB 2.165 70.910 68.868 -0.205 0.000 1.056 260 T HN 0.150 nan 8.240 nan 0.000 0.480 261 S N 0.533 116.471 115.700 0.396 0.000 2.548 261 S HA 0.596 5.065 4.470 -0.002 0.000 0.286 261 S C -1.238 173.512 174.600 0.250 0.000 1.098 261 S CA -0.770 57.616 58.200 0.310 0.000 0.930 261 S CB 0.930 64.246 63.200 0.194 0.000 1.070 261 S HN 0.560 nan 8.310 nan 0.000 0.480 262 Y N 1.746 121.979 120.300 -0.112 0.000 2.281 262 Y HA 0.271 4.820 4.550 -0.002 0.000 0.337 262 Y C 1.765 177.503 175.900 -0.270 0.000 1.304 262 Y CA 0.052 58.049 58.100 -0.172 0.000 1.465 262 Y CB 0.570 38.856 38.460 -0.289 0.000 1.350 262 Y HN 0.533 nan 8.280 nan 0.000 0.575 263 K N 0.582 120.826 120.400 -0.260 0.000 2.029 263 K HA -0.032 4.287 4.320 -0.002 0.000 0.205 263 K C -0.812 175.422 176.600 -0.610 0.000 1.042 263 K CA 1.277 57.022 56.287 -0.904 0.000 0.949 263 K CB -0.151 31.624 32.500 -1.208 0.000 0.740 263 K HN 0.577 nan 8.250 nan 0.000 0.442 264 Y N -0.796 119.482 120.300 -0.037 0.000 2.328 264 Y HA 0.435 4.984 4.550 -0.002 0.000 0.337 264 Y C 1.036 176.965 175.900 0.049 0.000 0.966 264 Y CA -0.097 58.008 58.100 0.008 0.000 1.136 264 Y CB 1.910 40.397 38.460 0.045 0.000 1.170 264 Y HN 0.412 nan 8.280 nan 0.000 0.470 265 G N 0.511 109.377 108.800 0.111 0.000 4.077 265 G HA2 0.348 4.307 3.960 -0.002 0.000 0.199 265 G HA3 0.348 4.307 3.960 -0.002 0.000 0.199 265 G C 0.289 175.084 174.900 -0.176 0.000 1.302 265 G CA 0.131 45.176 45.100 -0.092 0.000 0.918 265 G HN 1.532 nan 8.290 nan 0.000 0.369 266 G N -0.320 108.434 108.800 -0.077 0.000 2.306 266 G HA2 0.271 4.230 3.960 -0.002 0.000 0.262 266 G HA3 0.271 4.230 3.960 -0.002 0.000 0.262 266 G C -1.327 173.566 174.900 -0.010 0.000 1.263 266 G CA 0.089 45.160 45.100 -0.050 0.000 1.088 266 G HN 0.659 nan 8.290 nan 0.000 0.489 267 E N -0.204 119.995 120.200 -0.001 0.000 2.175 267 E HA 0.510 4.859 4.350 -0.002 0.000 0.278 267 E C -0.447 176.199 176.600 0.077 0.000 0.969 267 E CA -0.598 55.844 56.400 0.070 0.000 0.796 267 E CB 1.159 30.905 29.700 0.077 0.000 1.104 267 E HN 0.280 nan 8.360 nan 0.000 0.395 268 F N 4.259 124.292 119.950 0.138 0.000 2.623 268 F HA -0.020 4.506 4.527 -0.002 0.000 0.386 268 F C -1.417 174.405 175.800 0.037 0.000 1.068 268 F CA -0.885 57.192 58.000 0.128 0.000 1.265 268 F CB -0.198 38.852 39.000 0.084 0.000 1.026 268 F HN 0.207 nan 8.300 nan 0.000 0.568 269 P HA 0.083 nan 4.420 nan 0.000 0.271 269 P C -0.494 176.867 177.300 0.102 0.000 1.216 269 P CA -0.070 63.082 63.100 0.087 0.000 0.776 269 P CB 1.587 33.318 31.700 0.051 0.000 0.881 270 V N 3.848 123.790 119.914 0.046 0.000 2.834 270 V HA 0.555 4.674 4.120 -0.002 0.000 0.313 270 V C -0.114 176.005 176.094 0.041 0.000 1.060 270 V CA -0.979 61.342 62.300 0.035 0.000 0.989 270 V CB 1.500 33.310 31.823 -0.022 0.000 1.041 270 V HN 0.619 nan 8.190 nan 0.000 0.459 271 R N 4.748 125.291 120.500 0.071 0.000 2.561 271 R HA 0.667 5.005 4.340 -0.002 0.000 0.297 271 R C -2.851 173.465 176.300 0.027 0.000 0.969 271 R CA -1.781 54.340 56.100 0.035 0.000 0.879 271 R CB 2.257 32.570 30.300 0.022 0.000 1.178 271 R HN 0.636 nan 8.270 nan 0.000 0.445 272 P HA 0.193 nan 4.420 nan 0.000 0.279 272 P C -1.372 175.917 177.300 -0.019 0.000 1.252 272 P CA -0.505 62.592 63.100 -0.006 0.000 0.811 272 P CB 0.792 32.485 31.700 -0.011 0.000 1.035 273 D N -0.747 119.645 120.400 -0.014 0.000 2.388 273 D HA 0.266 4.905 4.640 -0.002 0.000 0.254 273 D C -0.071 176.202 176.300 -0.045 0.000 1.111 273 D CA -0.722 53.262 54.000 -0.028 0.000 0.993 273 D CB -0.133 40.662 40.800 -0.009 0.000 1.118 273 D HN 0.228 nan 8.370 nan 0.000 0.502 274 N N -0.903 117.756 118.700 -0.068 0.000 2.747 274 N HA -0.191 4.548 4.740 -0.002 0.000 0.249 274 N C -0.773 174.651 175.510 -0.144 0.000 1.107 274 N CA 0.343 53.336 53.050 -0.094 0.000 0.707 274 N CB -1.139 37.319 38.487 -0.049 0.000 1.054 274 N HN 0.580 nan 8.380 nan 0.000 0.555 275 I N 0.374 120.849 120.570 -0.158 0.000 2.612 275 I HA 0.067 4.236 4.170 -0.002 0.000 0.295 275 I C 0.621 176.583 176.117 -0.259 0.000 1.011 275 I CA -0.313 60.896 61.300 -0.152 0.000 1.326 275 I CB 0.651 38.573 38.000 -0.130 0.000 1.427 275 I HN 0.073 nan 8.210 nan 0.000 0.537 276 H N 5.130 124.205 119.070 0.010 0.000 2.488 276 H HA 0.257 4.812 4.556 -0.002 0.000 0.322 276 H C -0.871 174.514 175.328 0.094 0.000 1.078 276 H CA -0.360 55.734 56.048 0.077 0.000 1.260 276 H CB 0.971 30.793 29.762 0.100 0.000 1.425 276 H HN 0.330 nan 8.280 nan 0.000 0.471 277 F N 2.886 122.954 119.950 0.195 0.000 2.546 277 F HA -0.041 4.485 4.527 -0.002 0.000 0.388 277 F C 0.910 176.810 175.800 0.167 0.000 1.051 277 F CA 0.669 58.770 58.000 0.169 0.000 1.130 277 F CB 0.063 39.198 39.000 0.226 0.000 1.044 277 F HN 0.476 nan 8.300 nan 0.000 0.553 278 E N 2.651 123.034 120.200 0.304 0.000 2.231 278 E HA 0.062 4.411 4.350 -0.002 0.000 0.277 278 E C -0.767 175.980 176.600 0.245 0.000 0.999 278 E CA -0.964 55.586 56.400 0.249 0.000 0.827 278 E CB 1.098 30.905 29.700 0.179 0.000 1.101 278 E HN 0.362 nan 8.360 nan 0.000 0.393 279 D N 1.754 122.297 120.400 0.239 0.000 2.472 279 D HA -0.011 4.628 4.640 -0.002 0.000 0.248 279 D C -0.986 175.416 176.300 0.169 0.000 1.174 279 D CA 0.338 54.452 54.000 0.190 0.000 0.883 279 D CB 0.583 41.520 40.800 0.227 0.000 1.149 279 D HN 0.033 nan 8.370 nan 0.000 0.488 280 V N 4.279 124.234 119.914 0.068 0.000 2.347 280 V HA 0.209 4.328 4.120 -0.002 0.000 0.280 280 V C -0.773 175.313 176.094 -0.013 0.000 1.021 280 V CA -0.959 61.361 62.300 0.033 0.000 0.847 280 V CB 1.229 33.057 31.823 0.008 0.000 0.990 280 V HN 0.372 nan 8.190 nan 0.000 0.444 281 D N 5.237 125.665 120.400 0.047 0.000 2.493 281 D HA 0.373 5.012 4.640 -0.002 0.000 0.240 281 D C 1.283 177.569 176.300 -0.023 0.000 1.142 281 D CA 1.327 55.327 54.000 -0.000 0.000 0.872 281 D CB 1.077 41.911 40.800 0.056 0.000 1.173 281 D HN 1.169 nan 8.370 nan 0.000 0.467 282 G N 0.511 109.281 108.800 -0.049 0.000 2.336 282 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.233 282 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.233 282 G C 0.997 175.877 174.900 -0.033 0.000 1.053 282 G CA 0.350 45.433 45.100 -0.028 0.000 0.625 282 G HN 0.447 nan 8.290 nan 0.000 0.511 283 V N 0.287 120.173 119.914 -0.046 0.000 2.423 283 V HA 0.697 4.816 4.120 -0.002 0.000 0.233 283 V C 1.253 177.305 176.094 -0.071 0.000 1.067 283 V CA 2.204 64.479 62.300 -0.043 0.000 1.073 283 V CB -0.254 31.549 31.823 -0.034 0.000 0.715 283 V HN 2.108 nan 8.190 nan 0.000 0.485 284 A N -2.149 120.606 122.820 -0.109 0.000 2.550 284 A HA 0.481 4.799 4.320 -0.002 0.000 0.295 284 A C -1.007 176.488 177.584 -0.149 0.000 1.001 284 A CA -0.754 51.203 52.037 -0.134 0.000 0.660 284 A CB 0.161 19.106 19.000 -0.091 0.000 1.308 284 A HN 0.390 nan 8.150 nan 0.000 0.426 285 H N 0.491 119.533 119.070 -0.047 0.000 2.771 285 H HA 0.184 4.739 4.556 -0.002 0.000 0.364 285 H C 1.681 176.945 175.328 -0.106 0.000 1.133 285 H CA 1.034 57.063 56.048 -0.032 0.000 1.423 285 H CB 1.183 30.946 29.762 0.001 0.000 1.425 285 H HN 0.397 nan 8.280 nan 0.000 0.606 286 V N 2.036 121.993 119.914 0.072 0.000 2.343 286 V HA -0.283 3.836 4.120 -0.002 0.000 0.247 286 V C 2.208 178.186 176.094 -0.194 0.000 1.051 286 V CA 2.199 64.439 62.300 -0.099 0.000 1.036 286 V CB -0.749 31.104 31.823 0.050 0.000 0.654 286 V HN 0.761 nan 8.190 nan 0.000 0.451 287 H N 0.462 119.458 119.070 -0.123 0.000 2.457 287 H HA -0.127 4.428 4.556 -0.002 0.000 0.294 287 H C 1.922 177.155 175.328 -0.159 0.000 1.064 287 H CA 1.589 57.561 56.048 -0.126 0.000 1.330 287 H CB -0.216 29.493 29.762 -0.088 0.000 1.395 287 H HN 0.359 nan 8.280 nan 0.000 0.541 288 D N -0.398 119.923 120.400 -0.132 0.000 2.218 288 D HA -0.116 4.523 4.640 -0.002 0.000 0.204 288 D C 2.103 178.222 176.300 -0.301 0.000 0.976 288 D CA 0.761 54.659 54.000 -0.169 0.000 0.853 288 D CB 0.009 40.789 40.800 -0.033 0.000 0.939 288 D HN 0.420 nan 8.370 nan 0.000 0.481 289 L N 0.230 121.163 121.223 -0.483 0.000 2.062 289 L HA -0.034 4.305 4.340 -0.002 0.000 0.202 289 L C 2.299 178.887 176.870 -0.471 0.000 1.079 289 L CA 0.669 55.114 54.840 -0.659 0.000 0.755 289 L CB -0.386 40.802 42.059 -1.450 0.000 0.913 289 L HN -0.083 nan 8.230 nan 0.000 0.445 290 E N 0.717 120.610 120.200 -0.511 0.000 2.095 290 E HA -0.313 4.036 4.350 -0.002 0.000 0.212 290 E C 2.078 178.550 176.600 -0.214 0.000 1.044 290 E CA 2.431 58.693 56.400 -0.230 0.000 0.857 290 E CB -0.431 29.164 29.700 -0.175 0.000 0.764 290 E HN 0.589 nan 8.360 nan 0.000 0.462 291 I N -0.833 119.522 120.570 -0.359 0.000 2.179 291 I HA -0.219 3.950 4.170 -0.002 0.000 0.242 291 I C 2.351 178.373 176.117 -0.158 0.000 1.088 291 I CA 1.515 62.666 61.300 -0.249 0.000 1.357 291 I CB -1.110 36.728 38.000 -0.270 0.000 1.051 291 I HN -0.040 nan 8.210 nan 0.000 0.409 292 T N 0.971 115.422 114.554 -0.172 0.000 2.597 292 T HA -0.310 4.039 4.350 -0.002 0.000 0.267 292 T C 1.806 176.463 174.700 -0.071 0.000 1.053 292 T CA 2.455 64.481 62.100 -0.125 0.000 1.165 292 T CB -0.503 68.295 68.868 -0.117 0.000 0.863 292 T HN 0.579 nan 8.240 nan 0.000 0.427 293 E N 0.405 120.592 120.200 -0.022 0.000 2.147 293 E HA -0.203 4.146 4.350 -0.002 0.000 0.199 293 E C 2.194 178.839 176.600 0.075 0.000 1.005 293 E CA 1.618 58.053 56.400 0.058 0.000 0.810 293 E CB -0.111 29.729 29.700 0.233 0.000 0.736 293 E HN 0.443 nan 8.360 nan 0.000 0.460 294 S N 0.164 115.893 115.700 0.048 0.000 2.355 294 S HA -0.096 4.373 4.470 -0.002 0.000 0.222 294 S C 1.879 176.510 174.600 0.051 0.000 1.031 294 S CA 1.140 59.376 58.200 0.059 0.000 0.993 294 S CB -0.227 62.978 63.200 0.008 0.000 0.859 294 S HN 0.262 nan 8.310 nan 0.000 0.453 295 R N 0.787 121.277 120.500 -0.017 0.000 2.091 295 R HA -0.037 4.302 4.340 -0.002 0.000 0.238 295 R C 2.128 178.471 176.300 0.072 0.000 1.136 295 R CA 1.326 57.407 56.100 -0.032 0.000 0.959 295 R CB -0.506 29.565 30.300 -0.380 0.000 0.856 295 R HN 0.309 nan 8.270 nan 0.000 0.437 296 I N 0.124 120.672 120.570 -0.037 0.000 2.113 296 I HA -0.281 3.888 4.170 -0.002 0.000 0.238 296 I C 2.126 178.132 176.117 -0.186 0.000 1.070 296 I CA 1.666 62.840 61.300 -0.211 0.000 1.332 296 I CB -1.413 36.417 38.000 -0.282 0.000 1.044 296 I HN 0.272 nan 8.210 nan 0.000 0.402 297 H N 0.457 119.444 119.070 -0.140 0.000 2.560 297 H HA -0.097 4.458 4.556 -0.002 0.000 0.283 297 H C 1.950 177.228 175.328 -0.083 0.000 1.028 297 H CA 0.958 56.931 56.048 -0.125 0.000 1.221 297 H CB 0.157 29.859 29.762 -0.099 0.000 1.363 297 H HN 0.522 nan 8.280 nan 0.000 0.594 298 E N -0.722 119.529 120.200 0.086 0.000 2.431 298 E HA 0.097 4.446 4.350 -0.002 0.000 0.200 298 E C 1.994 178.662 176.600 0.113 0.000 0.995 298 E CA 0.387 56.853 56.400 0.110 0.000 0.915 298 E CB 0.399 30.208 29.700 0.181 0.000 0.930 298 E HN 0.331 nan 8.360 nan 0.000 0.496 299 A N 1.315 124.147 122.820 0.021 0.000 1.843 299 A HA -0.061 4.258 4.320 -0.002 0.000 0.213 299 A C 2.040 179.585 177.584 -0.065 0.000 1.202 299 A CA 0.796 52.803 52.037 -0.049 0.000 0.607 299 A CB -0.640 18.240 19.000 -0.200 0.000 0.847 299 A HN 0.245 nan 8.150 nan 0.000 0.445 300 I N 0.385 120.900 120.570 -0.091 0.000 2.113 300 I HA -0.345 3.824 4.170 -0.002 0.000 0.242 300 I C 1.792 177.893 176.117 -0.028 0.000 1.057 300 I CA 1.941 63.214 61.300 -0.046 0.000 1.314 300 I CB -0.558 37.388 38.000 -0.091 0.000 1.022 300 I HN 0.279 nan 8.210 nan 0.000 0.408 301 D N -0.826 119.548 120.400 -0.042 0.000 2.224 301 D HA -0.136 4.503 4.640 -0.002 0.000 0.205 301 D C 2.130 178.347 176.300 -0.139 0.000 0.965 301 D CA 1.032 54.981 54.000 -0.086 0.000 0.852 301 D CB -0.270 40.475 40.800 -0.092 0.000 0.947 301 D HN 0.435 nan 8.370 nan 0.000 0.494 302 H N -0.624 118.307 119.070 -0.232 0.000 2.333 302 H HA 0.041 4.596 4.556 -0.002 0.000 0.302 302 H C 1.649 176.760 175.328 -0.361 0.000 1.075 302 H CA 1.778 57.569 56.048 -0.428 0.000 1.348 302 H CB 0.625 29.785 29.762 -1.004 0.000 1.393 302 H HN 0.326 nan 8.280 nan 0.000 0.509 303 G N -0.559 108.169 108.800 -0.121 0.000 2.336 303 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.194 303 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.194 303 G C -0.395 174.589 174.900 0.139 0.000 0.999 303 G CA 0.159 45.289 45.100 0.049 0.000 0.669 303 G HN 0.494 nan 8.290 nan 0.000 0.482 304 Y N -0.156 120.233 120.300 0.148 0.000 2.553 304 Y HA 0.841 5.390 4.550 -0.002 0.000 0.347 304 Y C -0.392 175.554 175.900 0.076 0.000 1.019 304 Y CA -2.698 55.460 58.100 0.097 0.000 1.032 304 Y CB 0.973 39.479 38.460 0.077 0.000 1.284 304 Y HN 0.113 nan 8.280 nan 0.000 0.466 305 I N 2.495 123.258 120.570 0.322 0.000 2.385 305 I HA 0.432 4.601 4.170 -0.002 0.000 0.294 305 I C -0.060 176.289 176.117 0.388 0.000 0.988 305 I CA -0.724 60.732 61.300 0.260 0.000 1.265 305 I CB 2.090 40.149 38.000 0.099 0.000 1.388 305 I HN 0.864 nan 8.210 nan 0.000 0.480 306 T N 1.585 116.430 114.554 0.486 0.000 2.779 306 T HA 0.428 4.777 4.350 -0.002 0.000 0.280 306 T C -0.466 174.383 174.700 0.248 0.000 0.987 306 T CA -0.955 61.317 62.100 0.287 0.000 0.966 306 T CB 1.261 70.252 68.868 0.205 0.000 0.933 306 T HN 0.598 nan 8.240 nan 0.000 0.442 307 D N 2.689 123.179 120.400 0.150 0.000 2.440 307 D HA 0.279 4.918 4.640 -0.002 0.000 0.269 307 D C 1.347 177.637 176.300 -0.016 0.000 1.249 307 D CA -0.692 53.371 54.000 0.105 0.000 1.055 307 D CB -0.050 40.812 40.800 0.104 0.000 1.104 307 D HN 0.379 nan 8.370 nan 0.000 0.561 308 S N -0.810 114.871 115.700 -0.033 0.000 2.420 308 S HA -0.147 4.322 4.470 -0.002 0.000 0.237 308 S C 0.957 175.460 174.600 -0.161 0.000 1.023 308 S CA 1.295 59.443 58.200 -0.087 0.000 0.991 308 S CB -0.376 62.796 63.200 -0.047 0.000 0.792 308 S HN 0.498 nan 8.310 nan 0.000 0.488 309 D N 0.146 120.397 120.400 -0.248 0.000 2.327 309 D HA 0.192 4.831 4.640 -0.002 0.000 0.205 309 D C 1.423 177.486 176.300 -0.394 0.000 0.989 309 D CA 0.898 54.644 54.000 -0.422 0.000 0.873 309 D CB 0.038 40.372 40.800 -0.777 0.000 0.955 309 D HN 0.509 nan 8.370 nan 0.000 0.515 310 G N 1.174 109.803 108.800 -0.286 0.000 2.145 310 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.176 310 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.176 310 G C -0.363 174.508 174.900 -0.049 0.000 1.013 310 G CA -0.581 44.426 45.100 -0.156 0.000 0.689 310 G HN 0.437 nan 8.290 nan 0.000 0.506 311 H N 1.267 120.303 119.070 -0.057 0.000 2.562 311 H HA 0.481 5.036 4.556 -0.002 0.000 0.314 311 H C 0.735 176.023 175.328 -0.067 0.000 1.079 311 H CA 0.159 56.172 56.048 -0.059 0.000 1.349 311 H CB 1.083 30.829 29.762 -0.027 0.000 1.432 311 H HN 0.295 nan 8.280 nan 0.000 0.479 312 T N 1.878 116.416 114.554 -0.028 0.000 2.743 312 T HA 0.342 4.691 4.350 -0.002 0.000 0.293 312 T C 0.092 174.785 174.700 -0.011 0.000 0.945 312 T CA -1.005 61.005 62.100 -0.150 0.000 1.030 312 T CB 0.154 68.587 68.868 -0.725 0.000 0.912 312 T HN 0.423 nan 8.240 nan 0.000 0.483 313 I N 1.155 121.785 120.570 0.100 0.000 2.339 313 I HA 0.473 4.642 4.170 -0.002 0.000 0.290 313 I C -0.195 176.021 176.117 0.164 0.000 0.994 313 I CA -0.864 60.504 61.300 0.112 0.000 1.191 313 I CB 1.100 39.172 38.000 0.120 0.000 1.343 313 I HN 0.667 nan 8.210 nan 0.000 0.458 314 D N 6.407 126.894 120.400 0.145 0.000 2.414 314 D HA 0.133 4.772 4.640 -0.002 0.000 0.242 314 D C 0.554 176.956 176.300 0.170 0.000 1.129 314 D CA 0.109 54.219 54.000 0.184 0.000 0.885 314 D CB 1.141 42.026 40.800 0.143 0.000 1.198 314 D HN 0.836 nan 8.370 nan 0.000 0.437 315 I N 0.372 121.064 120.570 0.204 0.000 4.160 315 I HA 0.298 4.467 4.170 -0.002 0.000 0.325 315 I C 0.442 176.786 176.117 0.378 0.000 1.455 315 I CA -0.598 60.835 61.300 0.221 0.000 1.142 315 I CB 0.357 38.433 38.000 0.126 0.000 1.262 315 I HN 0.014 nan 8.210 nan 0.000 0.483 316 R N 3.216 123.899 120.500 0.307 0.000 4.518 316 R HA 0.331 4.669 4.340 -0.002 0.000 0.243 316 R C -0.413 175.966 176.300 0.133 0.000 1.720 316 R CA 0.076 56.383 56.100 0.346 0.000 1.526 316 R CB -0.220 30.226 30.300 0.243 0.000 1.425 316 R HN 0.752 nan 8.270 nan 0.000 0.787 317 Q N -2.124 117.780 119.800 0.173 0.000 2.737 317 Q HA 0.424 4.762 4.340 -0.002 0.000 0.307 317 Q C -2.373 173.690 176.000 0.106 0.000 0.905 317 Q CA -1.608 54.205 55.803 0.016 0.000 0.753 317 Q CB 1.373 30.140 28.738 0.049 0.000 1.463 317 Q HN -0.132 nan 8.270 nan 0.000 0.455 318 P HA -0.201 nan 4.420 nan 0.000 0.216 318 P C 0.591 177.978 177.300 0.146 0.000 1.150 318 P CA 1.190 64.353 63.100 0.105 0.000 0.837 318 P CB 0.187 31.926 31.700 0.065 0.000 0.786 319 K N -0.170 120.307 120.400 0.129 0.000 2.439 319 K HA 0.029 4.348 4.320 -0.002 0.000 0.197 319 K C 2.179 178.863 176.600 0.141 0.000 1.041 319 K CA 0.758 57.122 56.287 0.129 0.000 0.970 319 K CB -1.175 31.391 32.500 0.110 0.000 0.773 319 K HN 0.145 nan 8.250 nan 0.000 0.479 320 G N 2.070 110.983 108.800 0.188 0.000 2.863 320 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.217 320 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.217 320 G C 1.471 176.394 174.900 0.039 0.000 1.315 320 G CA 1.098 46.322 45.100 0.207 0.000 0.796 320 G HN 0.394 nan 8.290 nan 0.000 0.669 321 I N 1.788 122.410 120.570 0.085 0.000 2.502 321 I HA -0.231 3.938 4.170 -0.002 0.000 0.258 321 I C 2.876 179.026 176.117 0.056 0.000 1.172 321 I CA 2.269 63.559 61.300 -0.017 0.000 1.430 321 I CB -0.159 37.832 38.000 -0.015 0.000 1.086 321 I HN 0.671 nan 8.210 nan 0.000 0.440 322 E N 0.336 120.593 120.200 0.095 0.000 2.060 322 E HA -0.152 4.197 4.350 -0.002 0.000 0.189 322 E C 2.187 178.860 176.600 0.121 0.000 0.974 322 E CA 0.571 57.050 56.400 0.131 0.000 0.808 322 E CB -0.720 29.070 29.700 0.150 0.000 0.768 322 E HN 0.378 nan 8.360 nan 0.000 0.453 323 L N 0.840 122.121 121.223 0.097 0.000 2.089 323 L HA -0.231 4.108 4.340 -0.002 0.000 0.213 323 L C 2.632 179.512 176.870 0.018 0.000 1.079 323 L CA 1.210 56.095 54.840 0.075 0.000 0.758 323 L CB -0.436 41.660 42.059 0.061 0.000 0.891 323 L HN 0.253 nan 8.230 nan 0.000 0.433 324 L N -0.873 120.334 121.223 -0.025 0.000 2.093 324 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 324 L C 2.471 179.377 176.870 0.060 0.000 1.085 324 L CA 1.338 56.131 54.840 -0.079 0.000 0.755 324 L CB -0.777 41.168 42.059 -0.190 0.000 0.904 324 L HN 0.345 nan 8.230 nan 0.000 0.435 325 G N -1.120 107.821 108.800 0.235 0.000 2.534 325 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.217 325 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.217 325 G C 1.009 175.916 174.900 0.012 0.000 1.128 325 G CA 0.345 45.612 45.100 0.280 0.000 0.784 325 G HN 0.307 nan 8.290 nan 0.000 0.542 326 D N 0.753 121.183 120.400 0.049 0.000 2.162 326 D HA -0.072 4.567 4.640 -0.002 0.000 0.203 326 D C 2.654 178.966 176.300 0.020 0.000 0.967 326 D CA 0.847 54.883 54.000 0.059 0.000 0.840 326 D CB -0.109 40.788 40.800 0.163 0.000 0.972 326 D HN 0.583 nan 8.370 nan 0.000 0.482 327 I N -2.136 118.421 120.570 -0.022 0.000 2.584 327 I HA 0.023 4.192 4.170 -0.002 0.000 0.255 327 I C 2.173 178.233 176.117 -0.094 0.000 1.145 327 I CA 0.462 61.733 61.300 -0.049 0.000 1.462 327 I CB -0.186 37.714 38.000 -0.167 0.000 1.102 327 I HN -0.177 nan 8.210 nan 0.000 0.433 328 I N 1.993 122.472 120.570 -0.151 0.000 2.202 328 I HA -0.239 3.930 4.170 -0.002 0.000 0.242 328 I C 2.806 178.856 176.117 -0.111 0.000 1.091 328 I CA 2.076 63.273 61.300 -0.171 0.000 1.368 328 I CB -0.253 37.569 38.000 -0.297 0.000 1.058 328 I HN 0.428 nan 8.210 nan 0.000 0.410 329 E N 0.559 120.593 120.200 -0.277 0.000 2.170 329 E HA -0.093 4.256 4.350 -0.002 0.000 0.191 329 E C 0.322 176.887 176.600 -0.059 0.000 0.981 329 E CA 0.773 57.004 56.400 -0.282 0.000 0.830 329 E CB 0.401 29.521 29.700 -0.966 0.000 0.775 329 E HN 0.200 nan 8.360 nan 0.000 0.470 330 S N 0.458 116.113 115.700 -0.075 0.000 3.823 330 S HA -0.119 4.350 4.470 -0.002 0.000 0.560 330 S C -0.265 174.386 174.600 0.085 0.000 0.724 330 S CA 0.287 58.497 58.200 0.017 0.000 1.394 330 S CB -1.481 61.739 63.200 0.034 0.000 0.856 330 S HN 0.647 nan 8.310 nan 0.000 0.768 331 S N 1.681 117.440 115.700 0.099 0.000 2.666 331 S HA 0.566 5.035 4.470 -0.002 0.000 0.279 331 S C 0.894 175.619 174.600 0.208 0.000 1.149 331 S CA -0.849 57.459 58.200 0.179 0.000 1.020 331 S CB 0.617 63.841 63.200 0.039 0.000 1.127 331 S HN 0.385 nan 8.310 nan 0.000 0.537 332 K N -0.280 120.270 120.400 0.251 0.000 2.505 332 K HA 0.074 4.393 4.320 -0.002 0.000 0.192 332 K C 0.328 177.195 176.600 0.445 0.000 1.025 332 K CA 0.378 56.856 56.287 0.318 0.000 1.086 332 K CB -0.347 32.341 32.500 0.314 0.000 0.840 332 K HN 0.595 nan 8.250 nan 0.000 0.514 333 Y N 0.931 121.312 120.300 0.135 0.000 2.511 333 Y HA 0.094 4.643 4.550 -0.002 0.000 0.279 333 Y C 1.201 177.171 175.900 0.117 0.000 1.157 333 Y CA -1.073 57.103 58.100 0.128 0.000 1.300 333 Y CB -0.417 38.120 38.460 0.128 0.000 1.052 333 Y HN -0.153 nan 8.280 nan 0.000 0.529 334 S N 0.304 116.163 115.700 0.266 0.000 2.563 334 S HA -0.035 4.434 4.470 -0.002 0.000 0.294 334 S C 1.422 176.132 174.600 0.184 0.000 1.279 334 S CA 0.309 58.626 58.200 0.195 0.000 1.069 334 S CB 0.566 63.870 63.200 0.174 0.000 0.828 334 S HN 0.420 nan 8.310 nan 0.000 0.497 335 S N 3.807 119.620 115.700 0.188 0.000 2.362 335 S HA 0.019 4.488 4.470 -0.002 0.000 0.221 335 S C 0.963 175.672 174.600 0.183 0.000 1.032 335 S CA 0.501 58.809 58.200 0.180 0.000 0.973 335 S CB -0.195 63.120 63.200 0.192 0.000 0.849 335 S HN 0.794 nan 8.310 nan 0.000 0.465 336 N N 0.949 119.799 118.700 0.250 0.000 2.750 336 N HA 0.213 4.952 4.740 -0.002 0.000 0.253 336 N C -0.009 175.608 175.510 0.179 0.000 1.408 336 N CA -0.097 53.062 53.050 0.180 0.000 0.780 336 N CB 1.233 39.801 38.487 0.135 0.000 1.191 336 N HN 0.047 nan 8.380 nan 0.000 0.511 337 V N 2.113 122.114 119.914 0.146 0.000 2.913 337 V HA -0.076 4.042 4.120 -0.002 0.000 0.260 337 V C 1.964 178.108 176.094 0.084 0.000 1.098 337 V CA 1.735 64.110 62.300 0.125 0.000 1.121 337 V CB -0.162 31.732 31.823 0.117 0.000 0.714 337 V HN 0.639 nan 8.190 nan 0.000 0.487 338 Q N -1.840 118.001 119.800 0.068 0.000 2.378 338 Q HA -0.148 4.191 4.340 -0.002 0.000 0.205 338 Q C 1.837 177.881 176.000 0.072 0.000 0.954 338 Q CA 1.355 57.188 55.803 0.051 0.000 0.901 338 Q CB 0.062 28.817 28.738 0.029 0.000 0.981 338 Q HN 0.805 nan 8.270 nan 0.000 0.483 339 Y N -0.899 119.308 120.300 -0.154 0.000 2.382 339 Y HA 0.012 4.561 4.550 -0.002 0.000 0.292 339 Y C 0.774 176.513 175.900 -0.267 0.000 1.151 339 Y CA 0.588 58.514 58.100 -0.291 0.000 1.198 339 Y CB -0.142 38.016 38.460 -0.504 0.000 1.195 339 Y HN 0.028 nan 8.280 nan 0.000 0.530 340 Y N 1.161 121.382 120.300 -0.131 0.000 2.529 340 Y HA 0.282 4.831 4.550 -0.002 0.000 0.290 340 Y C 1.916 177.742 175.900 -0.124 0.000 1.177 340 Y CA 0.053 58.021 58.100 -0.220 0.000 1.305 340 Y CB -0.793 37.581 38.460 -0.144 0.000 1.047 340 Y HN 0.289 nan 8.280 nan 0.000 0.522 341 G N 0.435 109.258 108.800 0.038 0.000 2.661 341 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.327 341 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.327 341 G C 0.365 175.286 174.900 0.035 0.000 1.320 341 G CA 0.690 45.804 45.100 0.024 0.000 0.997 341 G HN 0.446 nan 8.290 nan 0.000 0.543 342 S N -0.728 114.976 115.700 0.008 0.000 2.486 342 S HA 0.429 4.898 4.470 -0.002 0.000 0.144 342 S C 1.234 175.842 174.600 0.014 0.000 1.542 342 S CA 0.606 58.812 58.200 0.010 0.000 1.262 342 S CB -0.144 63.056 63.200 0.001 0.000 1.462 342 S HN 0.857 nan 8.310 nan 0.000 0.381 343 L N 2.914 124.153 121.223 0.027 0.000 1.997 343 L HA -0.231 4.107 4.340 -0.002 0.000 0.227 343 L C 2.453 179.414 176.870 0.151 0.000 1.087 343 L CA 2.460 57.347 54.840 0.078 0.000 0.797 343 L CB -0.571 41.543 42.059 0.092 0.000 0.902 343 L HN 0.823 nan 8.230 nan 0.000 0.441 344 H N -0.130 118.996 119.070 0.093 0.000 2.251 344 H HA -0.213 4.342 4.556 -0.002 0.000 0.294 344 H C 2.040 177.459 175.328 0.151 0.000 1.078 344 H CA 2.378 58.515 56.048 0.148 0.000 1.246 344 H CB -0.050 29.843 29.762 0.218 0.000 1.358 344 H HN 0.431 nan 8.280 nan 0.000 0.488 345 N N 0.013 118.674 118.700 -0.065 0.000 2.007 345 N HA -0.141 4.598 4.740 -0.002 0.000 0.197 345 N C 2.090 177.531 175.510 -0.116 0.000 1.050 345 N CA 2.364 55.338 53.050 -0.127 0.000 0.856 345 N CB -1.175 37.250 38.487 -0.104 0.000 1.050 345 N HN 0.404 nan 8.380 nan 0.000 0.423 346 T N 1.154 115.676 114.554 -0.054 0.000 2.685 346 T HA -0.192 4.157 4.350 -0.002 0.000 0.268 346 T C 1.871 176.546 174.700 -0.042 0.000 1.034 346 T CA 1.691 63.757 62.100 -0.056 0.000 1.149 346 T CB -0.589 68.237 68.868 -0.071 0.000 0.860 346 T HN 0.424 nan 8.240 nan 0.000 0.449 347 A N 0.904 123.737 122.820 0.022 0.000 2.024 347 A HA -0.196 4.123 4.320 -0.002 0.000 0.220 347 A C 2.045 179.651 177.584 0.038 0.000 1.164 347 A CA 1.464 53.601 52.037 0.167 0.000 0.643 347 A CB -0.741 18.418 19.000 0.266 0.000 0.806 347 A HN 0.648 nan 8.150 nan 0.000 0.451 348 H N -0.676 118.232 119.070 -0.269 0.000 2.268 348 H HA -0.094 4.461 4.556 -0.002 0.000 0.304 348 H C 2.274 177.371 175.328 -0.385 0.000 1.064 348 H CA 1.881 57.665 56.048 -0.440 0.000 1.316 348 H CB -0.138 29.054 29.762 -0.950 0.000 1.386 348 H HN 0.313 nan 8.280 nan 0.000 0.496 349 V N 1.038 120.778 119.914 -0.290 0.000 2.469 349 V HA -0.291 3.828 4.120 -0.002 0.000 0.251 349 V C 2.546 178.594 176.094 -0.076 0.000 1.064 349 V CA 1.845 64.032 62.300 -0.189 0.000 1.066 349 V CB -0.615 31.140 31.823 -0.112 0.000 0.667 349 V HN 0.278 nan 8.190 nan 0.000 0.461 350 M N -0.397 119.194 119.600 -0.015 0.000 2.159 350 M HA -0.088 4.391 4.480 -0.002 0.000 0.263 350 M C 1.901 178.311 176.300 0.183 0.000 1.063 350 M CA 1.821 57.180 55.300 0.098 0.000 1.110 350 M CB -0.417 32.264 32.600 0.134 0.000 1.374 350 M HN 0.256 nan 8.290 nan 0.000 0.411 351 L N -1.243 120.054 121.223 0.123 0.000 2.418 351 L HA 0.075 4.414 4.340 -0.002 0.000 0.218 351 L C 2.006 178.833 176.870 -0.071 0.000 1.125 351 L CA 0.803 55.664 54.840 0.036 0.000 0.835 351 L CB -0.625 41.423 42.059 -0.019 0.000 0.953 351 L HN 0.494 nan 8.230 nan 0.000 0.454 352 G N -0.520 108.234 108.800 -0.077 0.000 2.396 352 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.214 352 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.214 352 G C 1.385 176.255 174.900 -0.050 0.000 1.166 352 G CA -0.098 44.957 45.100 -0.075 0.000 0.793 352 G HN 0.162 nan 8.290 nan 0.000 0.533 353 R N 0.665 121.136 120.500 -0.048 0.000 2.319 353 R HA 0.127 4.466 4.340 -0.002 0.000 0.204 353 R C 1.864 178.136 176.300 -0.046 0.000 0.954 353 R CA -0.030 56.042 56.100 -0.047 0.000 1.066 353 R CB -0.155 30.116 30.300 -0.048 0.000 0.991 353 R HN 0.325 nan 8.270 nan 0.000 0.486 354 Q N -0.006 119.763 119.800 -0.052 0.000 2.515 354 Q HA -0.057 4.282 4.340 -0.002 0.000 0.215 354 Q C 1.636 177.605 176.000 -0.052 0.000 0.983 354 Q CA 1.323 57.078 55.803 -0.079 0.000 0.905 354 Q CB -0.208 28.423 28.738 -0.178 0.000 0.961 354 Q HN 0.449 nan 8.270 nan 0.000 0.503 355 G N -0.485 108.300 108.800 -0.024 0.000 2.744 355 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.211 355 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.211 355 G C -0.163 174.775 174.900 0.062 0.000 1.146 355 G CA 0.118 45.227 45.100 0.015 0.000 0.787 355 G HN 0.211 nan 8.290 nan 0.000 0.534 356 D N -1.407 118.999 120.400 0.010 0.000 2.684 356 D HA 0.215 4.854 4.640 -0.002 0.000 0.233 356 D C -2.156 174.060 176.300 -0.140 0.000 1.374 356 D CA -0.925 53.068 54.000 -0.011 0.000 0.906 356 D CB 1.319 42.167 40.800 0.079 0.000 1.526 356 D HN -0.055 nan 8.370 nan 0.000 0.518 357 P HA -0.039 nan 4.420 nan 0.000 0.215 357 P C 1.064 178.164 177.300 -0.334 0.000 1.157 357 P CA 0.971 63.859 63.100 -0.353 0.000 0.856 357 P CB 0.170 31.591 31.700 -0.464 0.000 0.786 358 H N -1.334 117.700 119.070 -0.059 0.000 2.548 358 H HA 0.293 4.848 4.556 -0.002 0.000 0.268 358 H C 1.126 176.389 175.328 -0.108 0.000 0.975 358 H CA 0.796 56.795 56.048 -0.081 0.000 1.195 358 H CB -0.805 28.907 29.762 -0.083 0.000 1.397 358 H HN 0.132 nan 8.280 nan 0.000 0.572 359 G N 2.154 110.865 108.800 -0.148 0.000 2.370 359 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.295 359 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.295 359 G C 0.738 175.513 174.900 -0.208 0.000 1.045 359 G CA 0.456 45.476 45.100 -0.134 0.000 1.199 359 G HN 0.455 nan 8.290 nan 0.000 0.513 360 K N -0.743 119.361 120.400 -0.493 0.000 2.314 360 K HA 0.221 4.540 4.320 -0.002 0.000 0.198 360 K C 1.514 177.794 176.600 -0.533 0.000 1.045 360 K CA 0.933 56.843 56.287 -0.628 0.000 0.988 360 K CB 0.116 31.995 32.500 -1.035 0.000 0.783 360 K HN 0.450 nan 8.250 nan 0.000 0.484 361 F N 0.804 120.753 119.950 -0.002 0.000 2.656 361 F HA 0.114 4.640 4.527 -0.002 0.000 0.291 361 F C 0.342 176.137 175.800 -0.009 0.000 1.122 361 F CA -0.579 57.416 58.000 -0.007 0.000 1.427 361 F CB -0.858 38.131 39.000 -0.019 0.000 1.125 361 F HN 0.069 nan 8.300 nan 0.000 0.583 362 N N 0.751 119.520 118.700 0.115 0.000 2.681 362 N HA -0.216 4.523 4.740 -0.002 0.000 0.259 362 N C -1.063 174.483 175.510 0.060 0.000 1.066 362 N CA -0.004 53.092 53.050 0.077 0.000 0.717 362 N CB -1.265 37.268 38.487 0.077 0.000 0.885 362 N HN 0.124 nan 8.380 nan 0.000 0.547 363 L N 1.239 122.485 121.223 0.037 0.000 2.399 363 L HA 0.732 5.071 4.340 -0.002 0.000 0.265 363 L C -1.356 175.407 176.870 -0.180 0.000 1.089 363 L CA -1.705 53.111 54.840 -0.040 0.000 0.802 363 L CB 0.637 42.708 42.059 0.021 0.000 1.180 363 L HN 0.317 nan 8.230 nan 0.000 0.454 364 P HA 0.379 nan 4.420 nan 0.000 0.289 364 P C -2.773 174.153 177.300 -0.623 0.000 1.299 364 P CA -1.425 61.176 63.100 -0.831 0.000 0.766 364 P CB -0.410 30.490 31.700 -1.332 0.000 1.226 365 P HA 0.222 nan 4.420 nan 0.000 0.272 365 P C 0.162 177.448 177.300 -0.024 0.000 1.254 365 P CA 0.130 62.999 63.100 -0.386 0.000 0.795 365 P CB -0.057 31.355 31.700 -0.480 0.000 1.022 366 G N -1.183 107.651 108.800 0.057 0.000 2.537 366 G HA2 0.360 4.319 3.960 -0.002 0.000 0.323 366 G HA3 0.360 4.319 3.960 -0.002 0.000 0.323 366 G C 0.900 175.981 174.900 0.302 0.000 1.207 366 G CA -0.471 44.790 45.100 0.268 0.000 0.976 366 G HN 0.445 nan 8.290 nan 0.000 0.487 367 V N 0.564 120.638 119.914 0.266 0.000 2.363 367 V HA -0.255 3.864 4.120 -0.002 0.000 0.254 367 V C 2.288 178.391 176.094 0.015 0.000 1.074 367 V CA 3.018 65.323 62.300 0.009 0.000 1.069 367 V CB -0.452 31.329 31.823 -0.070 0.000 0.659 367 V HN 0.607 nan 8.190 nan 0.000 0.455 368 M N 0.519 120.099 119.600 -0.033 0.000 2.558 368 M HA 0.125 4.604 4.480 -0.002 0.000 0.255 368 M C 1.326 177.551 176.300 -0.125 0.000 1.113 368 M CA 1.215 56.442 55.300 -0.121 0.000 1.097 368 M CB -0.305 32.159 32.600 -0.227 0.000 1.426 368 M HN 0.570 nan 8.290 nan 0.000 0.488 369 E N 0.150 120.261 120.200 -0.148 0.000 2.338 369 E HA 0.127 4.476 4.350 -0.002 0.000 0.231 369 E C -0.820 175.641 176.600 -0.232 0.000 1.231 369 E CA 0.005 56.224 56.400 -0.301 0.000 1.490 369 E CB -0.162 29.345 29.700 -0.322 0.000 1.360 369 E HN 0.404 nan 8.360 nan 0.000 0.435 370 H N -0.769 118.385 119.070 0.140 0.000 3.151 370 H HA 0.049 4.604 4.556 -0.002 0.000 0.333 370 H C 0.009 175.392 175.328 0.091 0.000 1.093 370 H CA -0.783 55.326 56.048 0.101 0.000 1.342 370 H CB 0.481 30.298 29.762 0.092 0.000 1.983 370 H HN -0.005 nan 8.280 nan 0.000 0.503 371 F N 1.364 121.432 119.950 0.197 0.000 2.259 371 F HA -0.096 4.430 4.527 -0.002 0.000 0.298 371 F C 2.360 178.051 175.800 -0.181 0.000 1.088 371 F CA 1.169 59.102 58.000 -0.112 0.000 1.358 371 F CB 0.017 38.925 39.000 -0.153 0.000 1.040 371 F HN 0.581 nan 8.300 nan 0.000 0.505 372 E N -1.620 118.610 120.200 0.049 0.000 2.494 372 E HA -0.004 4.345 4.350 -0.002 0.000 0.193 372 E C 0.712 177.001 176.600 -0.518 0.000 1.074 372 E CA 0.825 57.055 56.400 -0.283 0.000 0.867 372 E CB -0.318 29.156 29.700 -0.377 0.000 0.924 372 E HN 0.225 nan 8.360 nan 0.000 0.502 373 T N -0.694 113.709 114.554 -0.253 0.000 3.252 373 T HA 0.313 4.662 4.350 -0.002 0.000 0.295 373 T C 1.200 175.780 174.700 -0.201 0.000 0.897 373 T CA 0.319 62.246 62.100 -0.288 0.000 0.905 373 T CB 0.621 69.276 68.868 -0.354 0.000 1.202 373 T HN 0.270 nan 8.240 nan 0.000 0.592 374 A N 0.699 123.430 122.820 -0.148 0.000 1.929 374 A HA 0.033 4.352 4.320 -0.002 0.000 0.216 374 A C 2.196 179.472 177.584 -0.514 0.000 1.176 374 A CA 1.656 53.568 52.037 -0.208 0.000 0.628 374 A CB -0.984 18.026 19.000 0.016 0.000 0.816 374 A HN 0.367 nan 8.150 nan 0.000 0.444 375 T N -0.567 113.565 114.554 -0.703 0.000 2.969 375 T HA -0.127 4.222 4.350 -0.002 0.000 0.271 375 T C 1.913 176.453 174.700 -0.267 0.000 1.127 375 T CA 1.538 63.174 62.100 -0.773 0.000 1.102 375 T CB -0.324 68.246 68.868 -0.496 0.000 0.855 375 T HN 0.450 nan 8.240 nan 0.000 0.536 376 R N 1.496 121.867 120.500 -0.214 0.000 2.075 376 R HA -0.005 4.334 4.340 -0.002 0.000 0.230 376 R C 0.789 177.033 176.300 -0.093 0.000 1.140 376 R CA 1.067 57.150 56.100 -0.028 0.000 0.928 376 R CB -0.332 29.992 30.300 0.040 0.000 0.834 376 R HN 0.283 nan 8.270 nan 0.000 0.429 377 D N -0.282 119.826 120.400 -0.486 0.000 2.383 377 D HA 0.029 4.668 4.640 -0.002 0.000 0.252 377 D C -1.772 174.146 176.300 -0.636 0.000 1.166 377 D CA -1.715 51.506 54.000 -1.299 0.000 0.879 377 D CB 1.259 41.484 40.800 -0.959 0.000 1.164 377 D HN -0.077 nan 8.370 nan 0.000 0.462 378 P HA -0.189 nan 4.420 nan 0.000 0.216 378 P C 1.109 178.329 177.300 -0.135 0.000 1.150 378 P CA 1.351 64.339 63.100 -0.186 0.000 0.843 378 P CB -0.069 31.560 31.700 -0.118 0.000 0.787 379 S N -1.903 113.655 115.700 -0.237 0.000 2.547 379 S HA -0.153 4.316 4.470 -0.002 0.000 0.235 379 S C 1.739 176.193 174.600 -0.244 0.000 0.980 379 S CA 0.221 58.298 58.200 -0.205 0.000 0.941 379 S CB -1.719 61.344 63.200 -0.228 0.000 0.763 379 S HN 0.072 nan 8.310 nan 0.000 0.532 380 F N 2.291 121.993 119.950 -0.412 0.000 2.065 380 F HA -0.083 4.443 4.527 -0.002 0.000 0.298 380 F C 1.542 176.963 175.800 -0.633 0.000 1.112 380 F CA 1.531 59.171 58.000 -0.600 0.000 1.212 380 F CB -0.510 37.985 39.000 -0.841 0.000 0.975 380 F HN 0.213 nan 8.300 nan 0.000 0.476 381 F N -0.009 119.728 119.950 -0.355 0.000 2.456 381 F HA 0.063 4.589 4.527 -0.002 0.000 0.298 381 F C 2.480 178.160 175.800 -0.199 0.000 1.104 381 F CA 0.883 58.655 58.000 -0.380 0.000 1.435 381 F CB -0.687 37.944 39.000 -0.615 0.000 1.078 381 F HN -0.160 nan 8.300 nan 0.000 0.546 382 R N 0.126 120.589 120.500 -0.062 0.000 2.073 382 R HA -0.092 4.247 4.340 -0.002 0.000 0.229 382 R C 2.137 178.357 176.300 -0.134 0.000 1.120 382 R CA 0.880 56.938 56.100 -0.070 0.000 0.967 382 R CB -0.509 29.733 30.300 -0.097 0.000 0.862 382 R HN 0.261 nan 8.270 nan 0.000 0.436 383 L N -0.208 120.888 121.223 -0.211 0.000 2.201 383 L HA -0.094 4.245 4.340 -0.002 0.000 0.212 383 L C 1.127 177.963 176.870 -0.058 0.000 1.105 383 L CA 1.920 56.635 54.840 -0.209 0.000 0.775 383 L CB -0.198 41.711 42.059 -0.250 0.000 0.913 383 L HN 0.193 nan 8.230 nan 0.000 0.440 384 H N -1.327 117.559 119.070 -0.307 0.000 2.551 384 H HA 0.090 4.645 4.556 -0.002 0.000 0.266 384 H C 2.002 177.347 175.328 0.028 0.000 0.964 384 H CA 0.764 56.709 56.048 -0.170 0.000 1.180 384 H CB 0.102 29.650 29.762 -0.356 0.000 1.408 384 H HN 0.339 nan 8.280 nan 0.000 0.563 385 K N 0.002 120.489 120.400 0.146 0.000 2.007 385 K HA -0.163 4.156 4.320 -0.002 0.000 0.206 385 K C 1.869 178.573 176.600 0.173 0.000 1.047 385 K CA 0.964 57.358 56.287 0.178 0.000 0.937 385 K CB -0.235 32.355 32.500 0.150 0.000 0.718 385 K HN 0.228 nan 8.250 nan 0.000 0.438 386 Y N 1.314 121.595 120.300 -0.033 0.000 2.030 386 Y HA -0.372 4.177 4.550 -0.002 0.000 0.272 386 Y C 1.995 177.882 175.900 -0.022 0.000 1.185 386 Y CA 2.423 60.483 58.100 -0.066 0.000 1.120 386 Y CB -0.324 38.034 38.460 -0.170 0.000 0.955 386 Y HN 0.063 nan 8.280 nan 0.000 0.495 387 M N -0.090 119.563 119.600 0.089 0.000 2.082 387 M HA -0.272 4.207 4.480 -0.002 0.000 0.258 387 M C 1.948 178.313 176.300 0.109 0.000 1.069 387 M CA 2.191 57.476 55.300 -0.024 0.000 1.102 387 M CB -0.708 31.953 32.600 0.101 0.000 1.336 387 M HN 0.378 nan 8.290 nan 0.000 0.404 388 D N 0.930 121.490 120.400 0.266 0.000 2.127 388 D HA -0.180 4.459 4.640 -0.002 0.000 0.190 388 D C 0.975 177.504 176.300 0.381 0.000 1.000 388 D CA 1.625 55.902 54.000 0.461 0.000 0.839 388 D CB -0.346 40.724 40.800 0.451 0.000 0.955 388 D HN 0.473 nan 8.370 nan 0.000 0.446 389 N N -0.362 118.431 118.700 0.154 0.000 2.501 389 N HA -0.004 4.735 4.740 -0.002 0.000 0.195 389 N C 0.991 176.423 175.510 -0.130 0.000 1.213 389 N CA -0.209 52.838 53.050 -0.006 0.000 0.864 389 N CB 0.443 38.903 38.487 -0.044 0.000 0.999 389 N HN 0.249 nan 8.380 nan 0.000 0.454 390 I N -0.303 120.142 120.570 -0.208 0.000 2.494 390 I HA -0.048 4.121 4.170 -0.002 0.000 0.250 390 I C 1.437 177.340 176.117 -0.356 0.000 1.112 390 I CA 0.866 61.889 61.300 -0.462 0.000 1.438 390 I CB -0.806 36.764 38.000 -0.717 0.000 1.111 390 I HN 0.071 nan 8.210 nan 0.000 0.431 391 F N 1.657 121.531 119.950 -0.128 0.000 2.084 391 F HA -0.134 4.392 4.527 -0.002 0.000 0.296 391 F C 2.600 178.275 175.800 -0.208 0.000 1.111 391 F CA 1.412 59.325 58.000 -0.145 0.000 1.224 391 F CB -0.785 38.177 39.000 -0.063 0.000 0.991 391 F HN -0.025 nan 8.300 nan 0.000 0.471 392 K N 0.717 121.113 120.400 -0.007 0.000 2.173 392 K HA -0.238 4.081 4.320 -0.002 0.000 0.207 392 K C 2.027 178.405 176.600 -0.371 0.000 1.046 392 K CA 1.440 57.468 56.287 -0.432 0.000 0.929 392 K CB -0.103 31.950 32.500 -0.744 0.000 0.720 392 K HN 0.166 nan 8.250 nan 0.000 0.453 393 K N -0.773 119.481 120.400 -0.244 0.000 2.147 393 K HA -0.213 4.106 4.320 -0.002 0.000 0.205 393 K C 2.038 178.499 176.600 -0.232 0.000 1.049 393 K CA 1.717 57.878 56.287 -0.211 0.000 0.936 393 K CB -0.182 32.245 32.500 -0.123 0.000 0.722 393 K HN 0.396 nan 8.250 nan 0.000 0.446 394 H N -0.106 118.772 119.070 -0.321 0.000 2.370 394 H HA 0.035 4.590 4.556 -0.002 0.000 0.304 394 H C 1.951 176.927 175.328 -0.586 0.000 1.055 394 H CA 1.569 57.379 56.048 -0.397 0.000 1.373 394 H CB 0.028 29.614 29.762 -0.294 0.000 1.423 394 H HN -0.097 nan 8.280 nan 0.000 0.533 395 T N 0.059 114.370 114.554 -0.406 0.000 2.737 395 T HA -0.150 4.199 4.350 -0.002 0.000 0.269 395 T C 1.043 175.448 174.700 -0.492 0.000 1.040 395 T CA 1.883 63.734 62.100 -0.414 0.000 1.142 395 T CB -0.365 68.369 68.868 -0.225 0.000 0.861 395 T HN 0.387 nan 8.240 nan 0.000 0.456 396 D N 0.166 120.275 120.400 -0.485 0.000 2.349 396 D HA 0.053 4.691 4.640 -0.002 0.000 0.215 396 D C 2.102 178.172 176.300 -0.385 0.000 1.016 396 D CA 0.369 54.130 54.000 -0.398 0.000 0.870 396 D CB -0.075 40.498 40.800 -0.378 0.000 0.917 396 D HN 0.461 nan 8.370 nan 0.000 0.524 397 S N -0.640 114.725 115.700 -0.559 0.000 2.527 397 S HA 0.017 4.486 4.470 -0.002 0.000 0.222 397 S C 0.592 175.042 174.600 -0.250 0.000 0.985 397 S CA -0.268 57.671 58.200 -0.434 0.000 0.921 397 S CB -0.306 62.588 63.200 -0.511 0.000 0.772 397 S HN -0.116 nan 8.310 nan 0.000 0.529 398 F N 3.669 123.469 119.950 -0.250 0.000 2.382 398 F HA 0.514 5.040 4.527 -0.002 0.000 0.331 398 F C -2.004 173.668 175.800 -0.212 0.000 1.121 398 F CA -3.352 54.510 58.000 -0.230 0.000 1.183 398 F CB -0.212 38.634 39.000 -0.258 0.000 1.207 398 F HN 0.015 nan 8.300 nan 0.000 0.555 399 P HA 0.178 nan 4.420 nan 0.000 0.271 399 P C -2.652 174.579 177.300 -0.115 0.000 1.216 399 P CA -1.153 61.923 63.100 -0.039 0.000 0.776 399 P CB 0.192 31.873 31.700 -0.032 0.000 0.881 400 P HA 0.024 nan 4.420 nan 0.000 0.272 400 P C -0.576 176.671 177.300 -0.089 0.000 1.243 400 P CA 0.413 63.449 63.100 -0.107 0.000 0.803 400 P CB 0.054 31.735 31.700 -0.032 0.000 0.974 401 Y N -0.882 119.417 120.300 -0.003 0.000 2.310 401 Y HA 0.296 4.845 4.550 -0.002 0.000 0.326 401 Y C 1.490 177.397 175.900 0.012 0.000 1.151 401 Y CA -0.283 57.815 58.100 -0.003 0.000 1.195 401 Y CB 0.156 38.593 38.460 -0.039 0.000 1.210 401 Y HN 0.273 nan 8.280 nan 0.000 0.483 402 T N -0.946 113.737 114.554 0.215 0.000 2.816 402 T HA 0.039 4.388 4.350 -0.002 0.000 0.282 402 T C 1.314 176.097 174.700 0.139 0.000 0.993 402 T CA -0.225 61.966 62.100 0.152 0.000 0.994 402 T CB 0.688 69.634 68.868 0.131 0.000 1.025 402 T HN 0.849 nan 8.240 nan 0.000 0.529 403 H N 0.827 119.937 119.070 0.068 0.000 2.267 403 H HA -0.135 4.420 4.556 -0.002 0.000 0.297 403 H C 1.417 176.776 175.328 0.052 0.000 1.080 403 H CA 2.479 58.560 56.048 0.056 0.000 1.278 403 H CB -0.532 29.258 29.762 0.046 0.000 1.365 403 H HN 0.778 nan 8.280 nan 0.000 0.489 404 D N 0.107 120.644 120.400 0.229 0.000 2.357 404 D HA -0.141 4.498 4.640 -0.002 0.000 0.216 404 D C 1.682 178.006 176.300 0.040 0.000 0.973 404 D CA 0.640 54.733 54.000 0.155 0.000 0.912 404 D CB -0.179 40.723 40.800 0.170 0.000 0.900 404 D HN 0.593 nan 8.370 nan 0.000 0.501 405 N N -0.185 118.531 118.700 0.026 0.000 2.148 405 N HA -0.013 4.726 4.740 -0.002 0.000 0.186 405 N C 1.946 177.406 175.510 -0.083 0.000 1.031 405 N CA 0.370 53.426 53.050 0.010 0.000 0.848 405 N CB 0.230 38.782 38.487 0.109 0.000 1.005 405 N HN 0.071 nan 8.380 nan 0.000 0.427 406 L N 0.527 121.662 121.223 -0.146 0.000 2.270 406 L HA 0.056 4.395 4.340 -0.002 0.000 0.210 406 L C 0.570 177.391 176.870 -0.082 0.000 1.104 406 L CA 0.222 54.971 54.840 -0.153 0.000 0.804 406 L CB -0.216 41.733 42.059 -0.183 0.000 0.937 406 L HN 0.125 nan 8.230 nan 0.000 0.450 407 E N 1.096 121.208 120.200 -0.146 0.000 2.415 407 E HA -0.108 4.241 4.350 -0.002 0.000 0.260 407 E C -0.648 176.002 176.600 0.083 0.000 1.016 407 E CA 0.102 56.451 56.400 -0.084 0.000 0.924 407 E CB 0.247 29.835 29.700 -0.186 0.000 0.961 407 E HN 0.023 nan 8.360 nan 0.000 0.459 408 F N 5.266 125.179 119.950 -0.062 0.000 2.366 408 F HA 0.301 4.827 4.527 -0.002 0.000 0.328 408 F C -0.154 175.628 175.800 -0.030 0.000 1.180 408 F CA -1.075 56.896 58.000 -0.048 0.000 1.232 408 F CB -0.077 38.884 39.000 -0.065 0.000 1.513 408 F HN 0.318 nan 8.300 nan 0.000 0.540 409 S N 2.983 118.703 115.700 0.034 0.000 2.642 409 S HA 0.385 4.854 4.470 -0.002 0.000 0.308 409 S C 1.048 175.518 174.600 -0.216 0.000 1.255 409 S CA 1.467 59.636 58.200 -0.052 0.000 1.057 409 S CB -0.306 62.899 63.200 0.008 0.000 0.785 409 S HN 1.553 nan 8.310 nan 0.000 0.500 410 G N 5.090 113.775 108.800 -0.193 0.000 3.355 410 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.247 410 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.247 410 G C -0.017 174.720 174.900 -0.272 0.000 1.818 410 G CA -0.142 44.820 45.100 -0.230 0.000 1.309 410 G HN 0.915 nan 8.290 nan 0.000 0.546 411 M N 1.045 120.352 119.600 -0.488 0.000 2.234 411 M HA 0.347 4.826 4.480 -0.002 0.000 0.409 411 M C 0.240 176.433 176.300 -0.178 0.000 1.378 411 M CA 1.294 56.361 55.300 -0.389 0.000 0.815 411 M CB 0.295 32.480 32.600 -0.692 0.000 1.971 411 M HN 1.435 nan 8.290 nan 0.000 0.506 412 V N 6.335 126.204 119.914 -0.073 0.000 2.577 412 V HA 0.450 4.569 4.120 -0.002 0.000 0.294 412 V C -0.892 175.215 176.094 0.022 0.000 1.052 412 V CA -0.901 61.389 62.300 -0.016 0.000 0.891 412 V CB 1.769 33.582 31.823 -0.018 0.000 1.017 412 V HN 0.503 nan 8.190 nan 0.000 0.436 413 V N 7.940 127.880 119.914 0.044 0.000 2.529 413 V HA 0.182 4.301 4.120 -0.002 0.000 0.292 413 V C 1.376 177.496 176.094 0.043 0.000 1.028 413 V CA 0.391 62.731 62.300 0.067 0.000 1.074 413 V CB 0.809 32.683 31.823 0.085 0.000 0.958 413 V HN 0.975 nan 8.190 nan 0.000 0.481 414 N N 3.240 121.967 118.700 0.046 0.000 2.258 414 N HA 0.127 4.866 4.740 -0.002 0.000 0.183 414 N C 0.610 176.136 175.510 0.026 0.000 1.029 414 N CA 1.087 54.155 53.050 0.030 0.000 0.857 414 N CB 0.568 39.073 38.487 0.030 0.000 1.008 414 N HN 0.758 nan 8.380 nan 0.000 0.433 415 G N -0.099 108.725 108.800 0.039 0.000 2.692 415 G HA2 0.484 4.443 3.960 -0.002 0.000 0.291 415 G HA3 0.484 4.443 3.960 -0.002 0.000 0.291 415 G C -1.926 173.009 174.900 0.059 0.000 1.423 415 G CA -0.322 44.799 45.100 0.036 0.000 0.843 415 G HN 0.027 nan 8.290 nan 0.000 0.486 416 V N -0.216 119.733 119.914 0.059 0.000 2.623 416 V HA 0.903 5.022 4.120 -0.002 0.000 0.304 416 V C -0.565 175.586 176.094 0.094 0.000 1.054 416 V CA 0.104 62.459 62.300 0.092 0.000 0.882 416 V CB 1.099 32.979 31.823 0.094 0.000 1.002 416 V HN 1.978 nan 8.190 nan 0.000 0.424 417 A N 6.320 129.212 122.820 0.121 0.000 2.515 417 A HA 0.893 5.212 4.320 -0.002 0.000 0.298 417 A C -1.452 176.215 177.584 0.138 0.000 1.059 417 A CA -0.599 51.501 52.037 0.104 0.000 0.698 417 A CB 1.690 20.733 19.000 0.071 0.000 1.289 417 A HN 0.854 nan 8.150 nan 0.000 0.404 418 I N 1.511 122.137 120.570 0.093 0.000 2.304 418 I HA 0.236 4.405 4.170 -0.002 0.000 0.291 418 I C -0.220 175.928 176.117 0.051 0.000 1.018 418 I CA 0.009 61.349 61.300 0.067 0.000 1.260 418 I CB 1.355 39.331 38.000 -0.041 0.000 1.390 418 I HN 0.660 nan 8.210 nan 0.000 0.475 419 D N 5.632 126.074 120.400 0.071 0.000 2.522 419 D HA 0.587 5.226 4.640 -0.002 0.000 0.218 419 D C 0.335 176.674 176.300 0.065 0.000 1.149 419 D CA 0.338 54.371 54.000 0.055 0.000 0.981 419 D CB -0.020 40.808 40.800 0.047 0.000 1.041 419 D HN 0.720 nan 8.370 nan 0.000 0.518 420 G N 2.012 110.845 108.800 0.054 0.000 2.403 420 G HA2 0.060 4.019 3.960 -0.002 0.000 0.223 420 G HA3 0.060 4.019 3.960 -0.002 0.000 0.223 420 G C -1.440 173.478 174.900 0.029 0.000 1.287 420 G CA -0.807 44.332 45.100 0.064 0.000 0.982 420 G HN 0.200 nan 8.290 nan 0.000 0.471 421 E N -0.012 120.209 120.200 0.035 0.000 2.293 421 E HA 0.518 4.867 4.350 -0.002 0.000 0.270 421 E C -0.773 175.779 176.600 -0.081 0.000 0.879 421 E CA -0.639 55.748 56.400 -0.022 0.000 0.756 421 E CB 2.187 31.892 29.700 0.007 0.000 1.208 421 E HN 0.446 nan 8.360 nan 0.000 0.428 422 L N 3.722 124.839 121.223 -0.178 0.000 2.315 422 L HA 0.496 4.835 4.340 -0.002 0.000 0.278 422 L C -0.033 176.744 176.870 -0.155 0.000 1.088 422 L CA -0.338 54.335 54.840 -0.279 0.000 0.899 422 L CB 0.084 41.916 42.059 -0.377 0.000 1.277 422 L HN 0.314 nan 8.230 nan 0.000 0.431 423 I N 2.799 123.312 120.570 -0.095 0.000 2.534 423 I HA 0.386 4.555 4.170 -0.002 0.000 0.288 423 I C -0.118 175.970 176.117 -0.048 0.000 1.077 423 I CA 0.041 61.270 61.300 -0.118 0.000 1.051 423 I CB 2.308 40.187 38.000 -0.202 0.000 1.234 423 I HN 0.488 nan 8.210 nan 0.000 0.425 424 T N 4.248 118.749 114.554 -0.087 0.000 2.829 424 T HA 0.772 5.121 4.350 -0.002 0.000 0.280 424 T C -0.584 174.120 174.700 0.006 0.000 0.999 424 T CA -0.484 61.495 62.100 -0.202 0.000 0.983 424 T CB 1.368 70.067 68.868 -0.282 0.000 0.968 424 T HN 0.428 nan 8.240 nan 0.000 0.446 425 F N -0.360 119.553 119.950 -0.061 0.000 2.894 425 F HA 0.882 5.409 4.527 -0.001 0.000 0.332 425 F C -1.821 173.862 175.800 -0.194 0.000 1.192 425 F CA -2.442 55.522 58.000 -0.059 0.000 0.980 425 F CB 0.894 39.895 39.000 0.001 0.000 1.448 425 F HN 0.401 nan 8.300 nan 0.000 0.514 426 F N 1.879 122.099 119.950 0.450 0.000 2.359 426 F HA 0.370 4.896 4.527 -0.002 0.000 0.369 426 F C 0.270 176.249 175.800 0.300 0.000 1.084 426 F CA -0.878 57.266 58.000 0.240 0.000 1.096 426 F CB 0.105 39.120 39.000 0.025 0.000 1.335 426 F HN 0.442 nan 8.300 nan 0.000 0.457 427 D N 1.715 122.462 120.400 0.577 0.000 2.273 427 D HA 0.125 4.764 4.640 -0.002 0.000 0.247 427 D C -0.380 176.174 176.300 0.422 0.000 1.313 427 D CA 0.441 54.717 54.000 0.460 0.000 0.974 427 D CB 0.562 41.605 40.800 0.406 0.000 1.157 427 D HN 0.533 nan 8.370 nan 0.000 0.533 428 E N -0.790 119.617 120.200 0.345 0.000 2.304 428 E HA 0.346 4.695 4.350 -0.002 0.000 0.277 428 E C -1.652 175.125 176.600 0.295 0.000 0.898 428 E CA -0.569 56.013 56.400 0.304 0.000 0.764 428 E CB 1.450 31.270 29.700 0.199 0.000 1.216 428 E HN 0.199 nan 8.360 nan 0.000 0.419 429 F N 1.882 121.886 119.950 0.089 0.000 2.593 429 F HA 0.480 5.006 4.527 -0.002 0.000 0.320 429 F C -1.023 174.807 175.800 0.049 0.000 1.060 429 F CA -0.350 57.695 58.000 0.074 0.000 0.940 429 F CB 2.051 41.102 39.000 0.085 0.000 1.268 429 F HN 0.341 nan 8.300 nan 0.000 0.475 430 Q N 3.819 123.333 119.800 -0.477 0.000 2.274 430 Q HA 0.321 4.660 4.340 -0.002 0.000 0.268 430 Q C -1.790 174.055 176.000 -0.259 0.000 1.015 430 Q CA -0.826 54.803 55.803 -0.290 0.000 0.775 430 Q CB 2.265 30.845 28.738 -0.264 0.000 1.256 430 Q HN 0.647 nan 8.270 nan 0.000 0.442 431 Y N -0.557 119.713 120.300 -0.049 0.000 2.621 431 Y HA 0.795 5.345 4.550 -0.001 0.000 0.334 431 Y C -0.546 175.414 175.900 0.100 0.000 1.074 431 Y CA -1.303 56.869 58.100 0.120 0.000 1.149 431 Y CB 1.564 40.235 38.460 0.351 0.000 1.302 431 Y HN 0.349 nan 8.280 nan 0.000 0.501 432 S N 1.272 117.088 115.700 0.193 0.000 2.437 432 S HA 0.400 4.869 4.470 -0.002 0.000 0.305 432 S C 0.002 174.697 174.600 0.160 0.000 1.109 432 S CA -0.844 57.409 58.200 0.087 0.000 1.099 432 S CB 0.273 63.543 63.200 0.117 0.000 1.004 432 S HN 0.812 nan 8.310 nan 0.000 0.475 433 L N 5.852 127.117 121.223 0.070 0.000 2.713 433 L HA 0.173 4.512 4.340 -0.002 0.000 0.245 433 L C 1.329 178.300 176.870 0.168 0.000 1.169 433 L CA 0.162 55.073 54.840 0.118 0.000 0.962 433 L CB -0.468 41.632 42.059 0.068 0.000 1.161 433 L HN 0.758 nan 8.230 nan 0.000 0.427 434 I N -0.256 120.425 120.570 0.186 0.000 2.286 434 I HA -0.230 3.939 4.170 -0.002 0.000 0.245 434 I C 1.720 177.990 176.117 0.256 0.000 1.104 434 I CA 1.018 62.439 61.300 0.202 0.000 1.397 434 I CB -0.075 38.029 38.000 0.174 0.000 1.072 434 I HN 0.349 nan 8.210 nan 0.000 0.417 435 N N 1.028 119.908 118.700 0.300 0.000 2.519 435 N HA -0.087 4.652 4.740 -0.002 0.000 0.186 435 N C 1.612 177.409 175.510 0.478 0.000 1.062 435 N CA 1.026 54.297 53.050 0.368 0.000 0.910 435 N CB -0.100 38.590 38.487 0.338 0.000 0.958 435 N HN 0.341 nan 8.380 nan 0.000 0.445 436 A N -0.017 123.033 122.820 0.383 0.000 1.898 436 A HA 0.047 4.366 4.320 -0.002 0.000 0.214 436 A C 0.923 178.755 177.584 0.414 0.000 1.183 436 A CA 0.603 52.873 52.037 0.389 0.000 0.622 436 A CB -0.405 18.706 19.000 0.185 0.000 0.824 436 A HN 0.122 nan 8.150 nan 0.000 0.444 437 V N 0.157 120.276 119.914 0.341 0.000 2.509 437 V HA 0.528 4.647 4.120 -0.002 0.000 0.284 437 V C -1.240 174.948 176.094 0.158 0.000 1.047 437 V CA -0.969 61.490 62.300 0.265 0.000 0.952 437 V CB 0.966 32.952 31.823 0.271 0.000 0.988 437 V HN 0.454 nan 8.190 nan 0.000 0.469 438 D N 3.419 123.849 120.400 0.051 0.000 2.264 438 D HA 0.497 5.136 4.640 -0.002 0.000 0.250 438 D C -0.205 176.132 176.300 0.061 0.000 1.113 438 D CA -0.212 53.833 54.000 0.074 0.000 0.871 438 D CB 1.566 42.399 40.800 0.056 0.000 1.167 438 D HN 0.660 nan 8.370 nan 0.000 0.447 439 S N 1.280 117.030 115.700 0.082 0.000 2.596 439 S HA 0.596 5.065 4.470 -0.002 0.000 0.318 439 S C 0.698 175.332 174.600 0.056 0.000 1.097 439 S CA -0.602 57.636 58.200 0.064 0.000 1.080 439 S CB 0.751 63.993 63.200 0.070 0.000 0.991 439 S HN 0.577 nan 8.310 nan 0.000 0.471 440 G N 3.435 112.258 108.800 0.039 0.000 2.751 440 G HA2 0.382 4.341 3.960 -0.002 0.000 0.187 440 G HA3 0.382 4.341 3.960 -0.002 0.000 0.187 440 G C -0.545 174.368 174.900 0.021 0.000 1.733 440 G CA 0.099 45.218 45.100 0.032 0.000 0.898 440 G HN 0.659 nan 8.290 nan 0.000 0.408 441 E N -0.967 119.240 120.200 0.012 0.000 2.356 441 E HA 0.336 4.685 4.350 -0.002 0.000 0.275 441 E C -0.538 176.062 176.600 0.000 0.000 0.904 441 E CA -0.740 55.661 56.400 0.002 0.000 0.757 441 E CB 1.834 31.533 29.700 -0.002 0.000 1.232 441 E HN 0.477 nan 8.360 nan 0.000 0.442 442 N N 0.531 119.228 118.700 -0.005 0.000 2.778 442 N HA -0.234 4.504 4.740 -0.002 0.000 0.249 442 N C -0.604 174.906 175.510 -0.000 0.000 1.069 442 N CA 0.444 53.491 53.050 -0.005 0.000 0.831 442 N CB -0.530 37.953 38.487 -0.006 0.000 1.142 442 N HN 0.291 nan 8.380 nan 0.000 0.573 443 I N 2.012 122.584 120.570 0.004 0.000 2.362 443 I HA 0.191 4.360 4.170 -0.002 0.000 0.289 443 I C 0.192 176.315 176.117 0.011 0.000 0.994 443 I CA -0.879 60.427 61.300 0.010 0.000 1.158 443 I CB 1.181 39.190 38.000 0.014 0.000 1.315 443 I HN 0.066 nan 8.210 nan 0.000 0.451 444 E N 5.341 125.548 120.200 0.011 0.000 2.227 444 E HA 0.331 4.680 4.350 -0.002 0.000 0.268 444 E C -1.039 175.573 176.600 0.020 0.000 0.990 444 E CA -0.883 55.523 56.400 0.010 0.000 0.856 444 E CB 0.874 30.576 29.700 0.002 0.000 1.159 444 E HN 0.416 nan 8.360 nan 0.000 0.401 445 D N 1.498 121.911 120.400 0.020 0.000 2.412 445 D HA 0.036 4.675 4.640 -0.002 0.000 0.257 445 D C -0.938 175.378 176.300 0.027 0.000 1.217 445 D CA 0.229 54.247 54.000 0.031 0.000 0.897 445 D CB 1.303 42.120 40.800 0.028 0.000 1.132 445 D HN 0.253 nan 8.370 nan 0.000 0.493 446 V N 3.803 123.740 119.914 0.039 0.000 2.398 446 V HA 0.140 4.259 4.120 -0.002 0.000 0.286 446 V C -0.058 176.058 176.094 0.037 0.000 1.026 446 V CA -0.768 61.552 62.300 0.034 0.000 0.868 446 V CB 1.675 33.524 31.823 0.044 0.000 0.982 446 V HN 0.446 nan 8.190 nan 0.000 0.443 447 E N 6.918 127.127 120.200 0.014 0.000 2.070 447 E HA 0.300 4.649 4.350 -0.002 0.000 0.282 447 E C -0.891 175.697 176.600 -0.020 0.000 1.104 447 E CA -0.321 56.081 56.400 0.004 0.000 0.876 447 E CB 0.563 30.254 29.700 -0.015 0.000 1.055 447 E HN 0.724 nan 8.360 nan 0.000 0.401 448 I N 4.548 125.123 120.570 0.008 0.000 2.377 448 I HA 0.295 4.464 4.170 -0.002 0.000 0.293 448 I C 0.210 176.299 176.117 -0.045 0.000 0.987 448 I CA -0.516 60.782 61.300 -0.005 0.000 1.185 448 I CB 1.460 39.540 38.000 0.134 0.000 1.341 448 I HN 0.471 nan 8.210 nan 0.000 0.455 449 N N 3.383 121.984 118.700 -0.165 0.000 2.405 449 N HA 0.792 5.531 4.740 -0.002 0.000 0.285 449 N C -1.282 174.097 175.510 -0.217 0.000 1.262 449 N CA -0.819 52.119 53.050 -0.186 0.000 0.773 449 N CB 2.414 40.778 38.487 -0.205 0.000 1.490 449 N HN 0.603 nan 8.380 nan 0.000 0.486 450 A N 1.112 123.735 122.820 -0.329 0.000 2.343 450 A HA 0.573 4.892 4.320 -0.002 0.000 0.316 450 A C -0.713 176.654 177.584 -0.361 0.000 1.104 450 A CA -0.486 51.324 52.037 -0.378 0.000 0.768 450 A CB 0.972 19.566 19.000 -0.677 0.000 1.213 450 A HN 0.728 nan 8.150 nan 0.000 0.456 451 R N 1.846 122.232 120.500 -0.189 0.000 2.393 451 R HA 0.616 4.955 4.340 -0.002 0.000 0.315 451 R C -0.918 175.343 176.300 -0.065 0.000 0.952 451 R CA -0.379 55.649 56.100 -0.121 0.000 0.842 451 R CB 1.381 31.597 30.300 -0.140 0.000 1.163 451 R HN 0.867 nan 8.270 nan 0.000 0.450 452 V N 0.589 120.540 119.914 0.061 0.000 2.919 452 V HA 0.504 4.623 4.120 -0.002 0.000 0.316 452 V C -0.776 175.388 176.094 0.116 0.000 1.077 452 V CA -0.752 61.603 62.300 0.091 0.000 0.977 452 V CB 1.840 33.807 31.823 0.240 0.000 1.039 452 V HN 0.890 nan 8.190 nan 0.000 0.441 453 H N 3.702 122.770 119.070 -0.003 0.000 2.690 453 H HA 0.544 5.099 4.556 -0.002 0.000 0.280 453 H C -0.024 175.382 175.328 0.131 0.000 1.138 453 H CA -0.763 55.274 56.048 -0.019 0.000 1.241 453 H CB 0.622 30.204 29.762 -0.299 0.000 1.394 453 H HN 0.741 nan 8.280 nan 0.000 0.489 454 R N 3.086 123.821 120.500 0.392 0.000 2.832 454 R HA 0.361 4.700 4.340 -0.002 0.000 0.271 454 R C -0.917 175.713 176.300 0.550 0.000 0.996 454 R CA -1.194 55.158 56.100 0.420 0.000 0.977 454 R CB 1.699 32.114 30.300 0.190 0.000 1.168 454 R HN 0.232 nan 8.270 nan 0.000 0.482 455 L N 0.801 122.301 121.223 0.461 0.000 2.476 455 L HA 0.274 4.613 4.340 -0.002 0.000 0.264 455 L C -0.457 176.306 176.870 -0.179 0.000 1.224 455 L CA 0.695 55.496 54.840 -0.064 0.000 0.821 455 L CB 0.352 42.315 42.059 -0.161 0.000 1.101 455 L HN 0.959 nan 8.230 nan 0.000 0.488 456 N N -1.301 117.089 118.700 -0.518 0.000 3.127 456 N HA 0.421 5.160 4.740 -0.002 0.000 0.239 456 N C -1.888 172.973 175.510 -1.082 0.000 1.407 456 N CA -0.603 52.016 53.050 -0.718 0.000 0.891 456 N CB 0.830 38.938 38.487 -0.632 0.000 1.447 456 N HN 0.846 nan 8.380 nan 0.000 0.507 457 H N -0.902 117.694 119.070 -0.790 0.000 2.949 457 H HA 0.620 5.175 4.556 -0.002 0.000 0.310 457 H C -1.519 173.727 175.328 -0.137 0.000 1.405 457 H CA -0.830 54.926 56.048 -0.485 0.000 1.253 457 H CB 0.747 30.391 29.762 -0.195 0.000 1.932 457 H HN 0.282 nan 8.280 nan 0.000 0.602 458 N N 0.769 119.615 118.700 0.244 0.000 2.392 458 N HA 0.142 4.880 4.740 -0.002 0.000 0.283 458 N C -1.135 174.603 175.510 0.380 0.000 1.003 458 N CA -0.786 52.433 53.050 0.282 0.000 0.892 458 N CB 1.244 39.888 38.487 0.263 0.000 1.193 458 N HN 0.735 nan 8.380 nan 0.000 0.487 459 E N 1.856 122.166 120.200 0.183 0.000 2.508 459 E HA 0.038 4.387 4.350 -0.002 0.000 0.266 459 E C -0.754 175.930 176.600 0.140 0.000 1.010 459 E CA 0.265 56.721 56.400 0.092 0.000 0.955 459 E CB 0.147 29.835 29.700 -0.019 0.000 0.946 459 E HN 0.433 nan 8.360 nan 0.000 0.454 460 F N -1.229 118.696 119.950 -0.042 0.000 2.668 460 F HA 0.622 5.148 4.527 -0.002 0.000 0.309 460 F C -1.020 174.664 175.800 -0.194 0.000 1.117 460 F CA -0.995 56.934 58.000 -0.119 0.000 0.951 460 F CB 1.984 40.885 39.000 -0.165 0.000 1.323 460 F HN 0.466 nan 8.300 nan 0.000 0.451 461 T N 0.441 114.972 114.554 -0.038 0.000 2.900 461 T HA 0.603 4.952 4.350 -0.002 0.000 0.295 461 T C -1.969 172.721 174.700 -0.017 0.000 1.044 461 T CA -0.428 61.586 62.100 -0.143 0.000 0.995 461 T CB 0.859 69.682 68.868 -0.075 0.000 1.072 461 T HN 0.543 nan 8.240 nan 0.000 0.473 462 Y N 2.590 122.938 120.300 0.080 0.000 2.350 462 Y HA 0.492 5.041 4.550 -0.002 0.000 0.340 462 Y C 0.754 176.683 175.900 0.050 0.000 1.006 462 Y CA -0.606 57.557 58.100 0.105 0.000 1.166 462 Y CB 1.051 39.578 38.460 0.110 0.000 1.168 462 Y HN 0.431 nan 8.280 nan 0.000 0.502 463 K N 4.700 125.232 120.400 0.219 0.000 2.334 463 K HA 0.496 4.815 4.320 -0.002 0.000 0.265 463 K C -1.015 175.663 176.600 0.131 0.000 1.039 463 K CA -0.141 56.223 56.287 0.127 0.000 0.920 463 K CB 0.769 33.320 32.500 0.086 0.000 1.160 463 K HN 0.610 nan 8.250 nan 0.000 0.451 464 I N 3.498 124.129 120.570 0.102 0.000 2.371 464 I HA 0.129 4.298 4.170 -0.002 0.000 0.282 464 I C -0.342 175.827 176.117 0.085 0.000 1.031 464 I CA -0.500 60.859 61.300 0.098 0.000 1.180 464 I CB 1.555 39.604 38.000 0.082 0.000 1.336 464 I HN 0.484 nan 8.210 nan 0.000 0.467 465 T N 8.146 122.750 114.554 0.084 0.000 2.743 465 T HA 0.659 5.008 4.350 -0.002 0.000 0.293 465 T C -0.187 174.562 174.700 0.082 0.000 0.945 465 T CA -0.442 61.700 62.100 0.071 0.000 1.030 465 T CB 0.484 69.384 68.868 0.053 0.000 0.912 465 T HN 0.633 nan 8.240 nan 0.000 0.483 466 M N 0.219 119.872 119.600 0.088 0.000 2.389 466 M HA 0.521 5.000 4.480 -0.002 0.000 0.291 466 M C -1.402 174.940 176.300 0.070 0.000 1.128 466 M CA -0.847 54.505 55.300 0.087 0.000 0.942 466 M CB 1.651 34.333 32.600 0.137 0.000 1.783 466 M HN 0.225 nan 8.290 nan 0.000 0.501 467 S N 2.538 118.260 115.700 0.036 0.000 2.499 467 S HA 0.348 4.817 4.470 -0.002 0.000 0.279 467 S C -0.325 174.261 174.600 -0.022 0.000 1.219 467 S CA -0.707 57.500 58.200 0.012 0.000 1.062 467 S CB 0.894 64.096 63.200 0.003 0.000 0.978 467 S HN 0.727 nan 8.310 nan 0.000 0.489 468 N N 2.699 121.383 118.700 -0.026 0.000 2.602 468 N HA 0.125 4.864 4.740 -0.002 0.000 0.238 468 N C 0.077 175.547 175.510 -0.066 0.000 1.084 468 N CA -0.157 52.849 53.050 -0.073 0.000 0.952 468 N CB -0.191 38.270 38.487 -0.045 0.000 1.244 468 N HN 0.591 nan 8.380 nan 0.000 0.512 469 N N 1.593 120.244 118.700 -0.081 0.000 2.520 469 N HA -0.062 4.677 4.740 -0.002 0.000 0.185 469 N C -0.019 175.457 175.510 -0.057 0.000 1.068 469 N CA 0.232 53.247 53.050 -0.058 0.000 0.911 469 N CB 0.136 38.592 38.487 -0.051 0.000 0.961 469 N HN 0.500 nan 8.380 nan 0.000 0.446 470 N N 1.311 119.964 118.700 -0.077 0.000 2.288 470 N HA -0.056 4.682 4.740 -0.002 0.000 0.237 470 N C 0.313 175.803 175.510 -0.033 0.000 1.311 470 N CA 0.367 53.382 53.050 -0.059 0.000 0.909 470 N CB 0.377 38.818 38.487 -0.077 0.000 1.167 470 N HN 0.256 nan 8.380 nan 0.000 0.476 471 D N -2.112 118.275 120.400 -0.022 0.000 2.325 471 D HA 0.213 4.852 4.640 -0.002 0.000 0.225 471 D C 0.693 176.990 176.300 -0.005 0.000 1.096 471 D CA -0.342 53.651 54.000 -0.011 0.000 0.844 471 D CB 0.091 40.887 40.800 -0.008 0.000 0.925 471 D HN 0.468 nan 8.370 nan 0.000 0.513 472 G N -0.457 108.340 108.800 -0.005 0.000 3.085 472 G HA2 0.410 4.369 3.960 -0.002 0.000 0.264 472 G HA3 0.410 4.369 3.960 -0.002 0.000 0.264 472 G C -1.494 173.413 174.900 0.011 0.000 1.206 472 G CA -0.822 44.281 45.100 0.005 0.000 0.809 472 G HN 0.161 nan 8.290 nan 0.000 0.592 473 E N 0.666 120.879 120.200 0.023 0.000 2.182 473 E HA 0.454 4.802 4.350 -0.002 0.000 0.258 473 E C -0.725 175.909 176.600 0.058 0.000 0.879 473 E CA -0.768 55.655 56.400 0.039 0.000 0.754 473 E CB 0.851 30.573 29.700 0.037 0.000 1.162 473 E HN 0.283 nan 8.360 nan 0.000 0.419 474 R N 3.994 124.546 120.500 0.087 0.000 2.514 474 R HA 0.411 4.750 4.340 -0.002 0.000 0.301 474 R C -0.110 176.300 176.300 0.184 0.000 0.962 474 R CA -0.903 55.289 56.100 0.154 0.000 0.882 474 R CB 1.331 31.772 30.300 0.235 0.000 1.143 474 R HN 0.635 nan 8.270 nan 0.000 0.452 475 L N 1.385 122.686 121.223 0.131 0.000 2.395 475 L HA 0.539 4.878 4.340 -0.002 0.000 0.269 475 L C -0.430 176.483 176.870 0.072 0.000 1.133 475 L CA -0.212 54.679 54.840 0.086 0.000 0.812 475 L CB 1.093 43.146 42.059 -0.010 0.000 1.125 475 L HN 0.800 nan 8.230 nan 0.000 0.452 476 A N 2.251 125.118 122.820 0.079 0.000 2.486 476 A HA 0.639 4.958 4.320 -0.002 0.000 0.300 476 A C -0.739 176.773 177.584 -0.120 0.000 1.048 476 A CA -0.514 51.458 52.037 -0.108 0.000 0.696 476 A CB 1.662 20.610 19.000 -0.087 0.000 1.278 476 A HN 0.619 nan 8.150 nan 0.000 0.405 477 T N 1.830 116.225 114.554 -0.265 0.000 2.733 477 T HA 0.484 4.833 4.350 -0.002 0.000 0.294 477 T C -0.776 173.614 174.700 -0.517 0.000 0.956 477 T CA 0.273 62.275 62.100 -0.163 0.000 0.987 477 T CB -0.274 68.591 68.868 -0.006 0.000 0.920 477 T HN 0.312 nan 8.240 nan 0.000 0.470 478 F N 3.506 123.131 119.950 -0.542 0.000 2.368 478 F HA 0.344 4.870 4.527 -0.002 0.000 0.362 478 F C 1.246 176.683 175.800 -0.605 0.000 1.137 478 F CA -0.757 56.796 58.000 -0.746 0.000 1.161 478 F CB 0.471 38.546 39.000 -1.542 0.000 1.265 478 F HN 0.214 nan 8.300 nan 0.000 0.530 479 R N 5.052 125.401 120.500 -0.251 0.000 2.265 479 R HA 0.611 4.950 4.340 -0.002 0.000 0.328 479 R C -0.901 175.243 176.300 -0.260 0.000 0.969 479 R CA -0.509 55.448 56.100 -0.238 0.000 0.832 479 R CB 1.502 31.787 30.300 -0.024 0.000 1.139 479 R HN 0.567 nan 8.270 nan 0.000 0.457 480 I N 4.486 124.780 120.570 -0.460 0.000 2.448 480 I HA 0.314 4.483 4.170 -0.002 0.000 0.281 480 I C -0.763 175.095 176.117 -0.431 0.000 1.027 480 I CA -0.610 60.493 61.300 -0.329 0.000 1.111 480 I CB 0.877 38.715 38.000 -0.270 0.000 1.236 480 I HN 0.347 nan 8.210 nan 0.000 0.452 481 F N 5.877 125.928 119.950 0.170 0.000 2.432 481 F HA 0.555 5.081 4.527 -0.002 0.000 0.329 481 F C -0.094 175.832 175.800 0.211 0.000 1.076 481 F CA -0.991 57.115 58.000 0.177 0.000 1.018 481 F CB 1.460 40.556 39.000 0.161 0.000 1.201 481 F HN 0.259 nan 8.300 nan 0.000 0.489 482 L N 3.217 124.649 121.223 0.349 0.000 2.366 482 L HA 0.547 4.886 4.340 -0.002 0.000 0.266 482 L C -1.081 176.005 176.870 0.361 0.000 1.010 482 L CA -0.146 54.849 54.840 0.259 0.000 0.879 482 L CB 0.109 42.182 42.059 0.024 0.000 1.228 482 L HN 0.695 nan 8.230 nan 0.000 0.439 483 c N 4.945 123.785 118.600 0.401 0.000 2.362 483 c HA 0.684 5.253 4.570 -0.002 0.000 0.363 483 c C -1.890 172.480 174.090 0.468 0.000 1.220 483 c CA -0.824 55.720 56.329 0.359 0.000 2.379 483 c CB 0.941 43.585 42.510 0.222 0.000 2.351 483 c HN 0.634 nan 8.230 nan 0.000 0.582 484 P HA 0.492 nan 4.420 nan 0.000 0.284 484 P C -0.126 177.279 177.300 0.176 0.000 1.292 484 P CA -0.096 63.189 63.100 0.308 0.000 0.800 484 P CB 1.204 32.844 31.700 -0.099 0.000 1.188 485 I N -2.006 118.625 120.570 0.102 0.000 4.046 485 I HA 0.178 4.347 4.170 -0.002 0.000 0.285 485 I C 1.040 177.174 176.117 0.029 0.000 1.183 485 I CA 0.234 61.572 61.300 0.063 0.000 1.337 485 I CB 0.215 38.243 38.000 0.047 0.000 1.478 485 I HN 0.237 nan 8.210 nan 0.000 0.452 486 E N 1.090 121.289 120.200 -0.002 0.000 2.259 486 E HA 0.103 4.452 4.350 -0.002 0.000 0.257 486 E C -0.236 176.352 176.600 -0.020 0.000 0.998 486 E CA -0.446 55.953 56.400 -0.002 0.000 0.866 486 E CB 1.607 31.305 29.700 -0.002 0.000 1.220 486 E HN 0.024 nan 8.360 nan 0.000 0.415 487 D N 0.203 120.602 120.400 -0.002 0.000 2.305 487 D HA -0.076 4.563 4.640 -0.002 0.000 0.206 487 D C 0.074 176.371 176.300 -0.005 0.000 0.974 487 D CA 0.316 54.315 54.000 -0.002 0.000 0.871 487 D CB 0.144 40.960 40.800 0.027 0.000 0.947 487 D HN 0.521 nan 8.370 nan 0.000 0.516 488 N N 0.321 119.033 118.700 0.020 0.000 2.814 488 N HA -0.169 4.570 4.740 -0.002 0.000 0.247 488 N C -0.371 175.171 175.510 0.053 0.000 1.089 488 N CA 0.763 53.846 53.050 0.054 0.000 0.682 488 N CB -1.428 37.075 38.487 0.027 0.000 0.970 488 N HN 0.165 nan 8.380 nan 0.000 0.554 489 N N -1.157 117.571 118.700 0.046 0.000 2.152 489 N HA 0.188 4.927 4.740 -0.002 0.000 0.309 489 N C 0.699 176.227 175.510 0.030 0.000 1.006 489 N CA 0.928 53.999 53.050 0.035 0.000 0.678 489 N CB -0.048 38.457 38.487 0.030 0.000 2.012 489 N HN 0.755 nan 8.380 nan 0.000 0.795 490 G N 1.636 110.456 108.800 0.032 0.000 2.141 490 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.195 490 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.195 490 G C 0.716 175.629 174.900 0.023 0.000 1.012 490 G CA 0.343 45.459 45.100 0.027 0.000 0.696 490 G HN 0.303 nan 8.290 nan 0.000 0.508 491 I N 0.243 120.828 120.570 0.025 0.000 2.928 491 I HA 0.066 4.235 4.170 -0.002 0.000 0.266 491 I C 1.519 177.653 176.117 0.029 0.000 1.234 491 I CA 0.953 62.269 61.300 0.026 0.000 1.483 491 I CB -0.197 37.821 38.000 0.029 0.000 1.097 491 I HN 0.527 nan 8.210 nan 0.000 0.455 492 T N 2.665 117.237 114.554 0.029 0.000 1.654 492 T HA -0.123 4.226 4.350 -0.002 0.000 0.631 492 T C 0.001 174.728 174.700 0.045 0.000 0.940 492 T CA -0.269 61.852 62.100 0.035 0.000 3.353 492 T CB -1.032 67.856 68.868 0.033 0.000 1.933 492 T HN 0.252 nan 8.240 nan 0.000 0.395 493 L N 3.700 124.957 121.223 0.057 0.000 2.505 493 L HA 0.747 5.086 4.340 -0.002 0.000 0.226 493 L C 1.735 178.643 176.870 0.064 0.000 1.211 493 L CA 0.324 55.207 54.840 0.072 0.000 0.828 493 L CB -0.227 41.903 42.059 0.117 0.000 1.331 493 L HN 0.686 nan 8.230 nan 0.000 0.513 494 T N -2.557 112.033 114.554 0.060 0.000 3.374 494 T HA 0.402 4.751 4.350 -0.002 0.000 0.267 494 T C 0.398 175.117 174.700 0.030 0.000 0.996 494 T CA -0.386 61.741 62.100 0.044 0.000 0.977 494 T CB -0.615 68.272 68.868 0.032 0.000 1.149 494 T HN 0.642 nan 8.240 nan 0.000 0.517 495 L N 0.804 122.041 121.223 0.024 0.000 3.941 495 L HA -0.271 4.068 4.340 -0.002 0.000 0.455 495 L C 0.113 176.971 176.870 -0.020 0.000 1.179 495 L CA 1.794 56.618 54.840 -0.026 0.000 0.782 495 L CB -1.075 40.951 42.059 -0.055 0.000 1.679 495 L HN 0.673 nan 8.230 nan 0.000 0.871 496 D N -2.465 117.933 120.400 -0.003 0.000 2.151 496 D HA -0.006 4.633 4.640 -0.002 0.000 0.260 496 D C 1.261 177.548 176.300 -0.021 0.000 1.358 496 D CA 0.633 54.621 54.000 -0.019 0.000 1.309 496 D CB -0.051 40.733 40.800 -0.027 0.000 2.149 496 D HN 0.483 nan 8.370 nan 0.000 0.379 497 E N 0.280 120.483 120.200 0.006 0.000 2.107 497 E HA 0.073 4.421 4.350 -0.002 0.000 0.191 497 E C 1.445 178.097 176.600 0.086 0.000 0.982 497 E CA 1.147 57.558 56.400 0.018 0.000 0.809 497 E CB 0.143 29.882 29.700 0.064 0.000 0.756 497 E HN 0.260 nan 8.360 nan 0.000 0.459 498 A N 1.291 124.194 122.820 0.138 0.000 2.252 498 A HA 0.021 4.340 4.320 -0.002 0.000 0.213 498 A C 1.898 179.570 177.584 0.146 0.000 1.188 498 A CA -0.014 52.167 52.037 0.240 0.000 0.863 498 A CB -0.152 18.952 19.000 0.174 0.000 0.893 498 A HN 0.150 nan 8.150 nan 0.000 0.495 499 R N -1.144 119.393 120.500 0.061 0.000 2.091 499 R HA -0.163 4.176 4.340 -0.002 0.000 0.238 499 R C 2.010 178.389 176.300 0.133 0.000 1.136 499 R CA 1.458 57.567 56.100 0.015 0.000 0.959 499 R CB -0.604 29.691 30.300 -0.008 0.000 0.856 499 R HN 0.677 nan 8.270 nan 0.000 0.437 500 W N 0.430 121.705 121.300 -0.043 0.000 2.678 500 W HA -0.025 4.634 4.660 -0.002 0.000 0.256 500 W C 0.523 177.103 176.519 0.102 0.000 1.280 500 W CA 0.153 57.520 57.345 0.037 0.000 1.345 500 W CB 0.140 29.553 29.460 -0.079 0.000 1.118 500 W HN 0.081 nan 8.180 nan 0.000 0.629 501 F N 0.680 120.659 119.950 0.049 0.000 2.710 501 F HA 0.048 4.574 4.527 -0.002 0.000 0.298 501 F C 1.376 177.026 175.800 -0.250 0.000 1.137 501 F CA -0.242 57.659 58.000 -0.165 0.000 1.444 501 F CB -1.122 37.775 39.000 -0.172 0.000 1.111 501 F HN -0.354 nan 8.300 nan 0.000 0.580 502 c N 2.828 121.469 118.600 0.068 0.000 2.637 502 c HA 0.383 4.952 4.570 -0.002 0.000 0.418 502 c C 0.790 174.924 174.090 0.073 0.000 1.319 502 c CA -1.258 55.142 56.329 0.118 0.000 1.949 502 c CB -1.306 41.272 42.510 0.114 0.000 2.639 502 c HN 0.276 nan 8.230 nan 0.000 0.594 503 I N 0.034 120.717 120.570 0.188 0.000 2.392 503 I HA 0.489 4.658 4.170 -0.002 0.000 0.295 503 I C -0.003 176.231 176.117 0.195 0.000 0.985 503 I CA -0.321 61.024 61.300 0.076 0.000 1.221 503 I CB 0.949 38.977 38.000 0.047 0.000 1.366 503 I HN 0.657 nan 8.210 nan 0.000 0.467 504 E N 3.869 124.171 120.200 0.169 0.000 2.324 504 E HA 0.104 4.453 4.350 -0.002 0.000 0.271 504 E C -0.126 176.482 176.600 0.014 0.000 1.028 504 E CA -0.318 56.169 56.400 0.146 0.000 0.890 504 E CB 1.319 31.182 29.700 0.272 0.000 1.004 504 E HN 0.733 nan 8.360 nan 0.000 0.431 505 L N 3.975 125.176 121.223 -0.038 0.000 2.470 505 L HA 0.289 4.627 4.340 -0.002 0.000 0.219 505 L C -0.281 176.607 176.870 0.031 0.000 1.071 505 L CA 0.824 55.675 54.840 0.018 0.000 0.850 505 L CB 0.601 42.710 42.059 0.084 0.000 1.040 505 L HN 0.541 nan 8.230 nan 0.000 0.475 506 D N -1.050 119.324 120.400 -0.043 0.000 2.728 506 D HA 0.264 4.903 4.640 -0.002 0.000 0.249 506 D C -1.610 174.642 176.300 -0.079 0.000 1.225 506 D CA -0.450 53.555 54.000 0.009 0.000 0.748 506 D CB 1.361 42.225 40.800 0.107 0.000 1.326 506 D HN -0.221 nan 8.370 nan 0.000 0.426 507 K N 2.543 122.936 120.400 -0.012 0.000 2.616 507 K HA 0.436 4.755 4.320 -0.002 0.000 0.255 507 K C -1.712 174.825 176.600 -0.105 0.000 0.995 507 K CA -0.580 55.620 56.287 -0.145 0.000 0.860 507 K CB 0.862 33.261 32.500 -0.168 0.000 1.264 507 K HN 0.372 nan 8.250 nan 0.000 0.451 508 F N 1.242 121.042 119.950 -0.249 0.000 2.654 508 F HA 0.622 5.148 4.527 -0.002 0.000 0.308 508 F C -1.808 173.898 175.800 -0.156 0.000 1.108 508 F CA -1.304 56.525 58.000 -0.285 0.000 0.957 508 F CB 0.812 39.745 39.000 -0.112 0.000 1.309 508 F HN 0.101 nan 8.300 nan 0.000 0.446 509 F N 2.000 122.117 119.950 0.279 0.000 2.361 509 F HA 0.634 5.160 4.527 -0.002 0.000 0.364 509 F C -0.053 175.929 175.800 0.303 0.000 1.117 509 F CA -0.614 57.501 58.000 0.191 0.000 1.071 509 F CB 1.528 40.566 39.000 0.064 0.000 1.188 509 F HN 0.636 nan 8.300 nan 0.000 0.464 510 Q N 2.563 122.702 119.800 0.565 0.000 2.375 510 Q HA 0.446 4.785 4.340 -0.002 0.000 0.271 510 Q C -1.135 175.089 176.000 0.373 0.000 1.074 510 Q CA -0.850 55.230 55.803 0.461 0.000 0.808 510 Q CB 1.782 30.834 28.738 0.524 0.000 1.327 510 Q HN 0.489 nan 8.270 nan 0.000 0.441 511 K N 1.856 122.404 120.400 0.247 0.000 2.297 511 K HA 0.382 4.701 4.320 -0.002 0.000 0.286 511 K C -1.065 175.654 176.600 0.198 0.000 1.053 511 K CA -0.450 55.949 56.287 0.188 0.000 0.940 511 K CB 1.141 33.713 32.500 0.119 0.000 1.019 511 K HN 0.354 nan 8.250 nan 0.000 0.475 512 V N 5.975 126.012 119.914 0.205 0.000 2.398 512 V HA 0.290 4.409 4.120 -0.002 0.000 0.286 512 V C -1.842 174.318 176.094 0.111 0.000 1.026 512 V CA -1.915 60.495 62.300 0.183 0.000 0.868 512 V CB 1.216 33.178 31.823 0.233 0.000 0.982 512 V HN 0.748 nan 8.190 nan 0.000 0.443 513 P HA 0.210 nan 4.420 nan 0.000 0.278 513 P C -0.332 176.990 177.300 0.037 0.000 1.266 513 P CA -0.479 62.653 63.100 0.053 0.000 0.807 513 P CB 1.149 32.877 31.700 0.046 0.000 1.094 514 S N 0.042 115.755 115.700 0.022 0.000 2.488 514 S HA 0.470 4.939 4.470 -0.002 0.000 0.278 514 S C 0.308 174.913 174.600 0.009 0.000 1.259 514 S CA 0.820 59.025 58.200 0.007 0.000 1.061 514 S CB -1.833 61.369 63.200 0.003 0.000 0.910 514 S HN 0.959 nan 8.310 nan 0.000 0.491 515 G N 5.452 114.255 108.800 0.006 0.000 2.907 515 G HA2 -0.077 3.882 3.960 -0.002 0.000 0.686 515 G HA3 -0.077 3.882 3.960 -0.002 0.000 0.686 515 G C -3.001 171.910 174.900 0.019 0.000 1.115 515 G CA -0.886 44.220 45.100 0.009 0.000 0.760 515 G HN 0.685 nan 8.290 nan 0.000 0.620 516 P HA 0.000 nan 4.420 nan 0.000 0.261 516 P C 0.095 177.415 177.300 0.033 0.000 1.140 516 P CA 1.106 64.222 63.100 0.027 0.000 0.757 516 P CB 0.449 32.161 31.700 0.021 0.000 0.735 517 E N 1.069 121.296 120.200 0.045 0.000 2.369 517 E HA 0.439 4.788 4.350 -0.002 0.000 0.270 517 E C -0.714 175.916 176.600 0.050 0.000 0.909 517 E CA -0.714 55.715 56.400 0.048 0.000 0.775 517 E CB 1.964 31.701 29.700 0.061 0.000 1.270 517 E HN 0.176 nan 8.360 nan 0.000 0.445 518 T N 2.207 116.785 114.554 0.039 0.000 3.226 518 T HA 0.333 4.682 4.350 -0.002 0.000 0.378 518 T C 0.179 174.892 174.700 0.021 0.000 1.380 518 T CA -0.493 61.629 62.100 0.037 0.000 1.396 518 T CB -0.467 68.420 68.868 0.032 0.000 1.044 518 T HN 0.275 nan 8.240 nan 0.000 0.586 519 I N 0.515 121.090 120.570 0.009 0.000 2.588 519 I HA 0.449 4.618 4.170 -0.002 0.000 0.283 519 I C 0.408 176.513 176.117 -0.021 0.000 1.119 519 I CA -0.327 60.949 61.300 -0.041 0.000 1.419 519 I CB 0.658 38.572 38.000 -0.144 0.000 1.394 519 I HN 0.329 nan 8.210 nan 0.000 0.562 520 E N 5.608 125.787 120.200 -0.036 0.000 2.212 520 E HA 0.631 4.980 4.350 -0.002 0.000 0.268 520 E C -0.906 175.646 176.600 -0.080 0.000 0.902 520 E CA -1.005 55.386 56.400 -0.016 0.000 0.779 520 E CB 2.806 32.493 29.700 -0.021 0.000 1.172 520 E HN 0.521 nan 8.360 nan 0.000 0.409 521 R N 1.352 121.836 120.500 -0.027 0.000 2.604 521 R HA 0.252 4.591 4.340 -0.002 0.000 0.261 521 R C -1.619 174.655 176.300 -0.045 0.000 1.080 521 R CA -0.366 55.664 56.100 -0.117 0.000 0.917 521 R CB 2.063 32.183 30.300 -0.299 0.000 1.252 521 R HN 0.520 nan 8.270 nan 0.000 0.456 522 S N 0.533 116.144 115.700 -0.148 0.000 2.565 522 S HA 0.127 4.596 4.470 -0.002 0.000 0.290 522 S C 1.280 175.701 174.600 -0.299 0.000 1.150 522 S CA 0.126 58.187 58.200 -0.231 0.000 1.058 522 S CB 1.703 64.792 63.200 -0.185 0.000 1.032 522 S HN 0.711 nan 8.310 nan 0.000 0.510 523 S N 3.402 118.761 115.700 -0.568 0.000 2.409 523 S HA -0.230 4.239 4.470 -0.002 0.000 0.237 523 S C 1.561 176.008 174.600 -0.256 0.000 1.060 523 S CA 2.082 59.890 58.200 -0.654 0.000 1.052 523 S CB -0.497 62.280 63.200 -0.704 0.000 0.871 523 S HN 0.795 nan 8.310 nan 0.000 0.465 524 K N 0.258 120.546 120.400 -0.188 0.000 2.062 524 K HA 0.004 4.323 4.320 -0.002 0.000 0.205 524 K C 1.494 178.038 176.600 -0.093 0.000 1.051 524 K CA 1.347 57.573 56.287 -0.102 0.000 0.941 524 K CB -0.207 32.243 32.500 -0.083 0.000 0.719 524 K HN 0.451 nan 8.250 nan 0.000 0.440 525 D N 1.149 121.476 120.400 -0.121 0.000 2.363 525 D HA -0.048 4.591 4.640 -0.002 0.000 0.226 525 D C 0.430 176.674 176.300 -0.094 0.000 1.020 525 D CA 0.330 54.258 54.000 -0.120 0.000 0.892 525 D CB -0.011 40.681 40.800 -0.179 0.000 0.900 525 D HN -0.028 nan 8.370 nan 0.000 0.531 526 S N 0.608 116.269 115.700 -0.065 0.000 2.561 526 S HA -0.049 4.420 4.470 -0.002 0.000 0.294 526 S C 1.595 176.196 174.600 0.003 0.000 1.294 526 S CA 0.136 58.329 58.200 -0.011 0.000 1.055 526 S CB 0.706 63.904 63.200 -0.003 0.000 0.819 526 S HN 0.266 nan 8.310 nan 0.000 0.503 527 S N 3.092 118.812 115.700 0.033 0.000 2.501 527 S HA -0.032 4.437 4.470 -0.002 0.000 0.220 527 S C 1.343 175.977 174.600 0.056 0.000 0.997 527 S CA 0.524 58.752 58.200 0.047 0.000 0.919 527 S CB -0.311 62.920 63.200 0.052 0.000 0.778 527 S HN 1.191 nan 8.310 nan 0.000 0.523 528 V N -1.153 118.785 119.914 0.041 0.000 3.514 528 V HA 0.422 4.541 4.120 -0.002 0.000 0.301 528 V C 0.107 176.191 176.094 -0.016 0.000 1.346 528 V CA -0.114 62.204 62.300 0.030 0.000 1.156 528 V CB -0.731 31.107 31.823 0.024 0.000 1.029 528 V HN 0.321 nan 8.190 nan 0.000 0.428 529 T N 0.452 115.001 114.554 -0.007 0.000 2.908 529 T HA 0.758 5.107 4.350 -0.002 0.000 0.290 529 T C -0.796 173.903 174.700 -0.002 0.000 1.034 529 T CA -0.330 61.759 62.100 -0.018 0.000 1.010 529 T CB 2.401 71.262 68.868 -0.011 0.000 1.068 529 T HN 0.093 nan 8.240 nan 0.000 0.481 530 V N 4.473 124.388 119.914 0.002 0.000 2.760 530 V HA 0.519 4.638 4.120 -0.002 0.000 0.309 530 V C -2.190 173.930 176.094 0.044 0.000 1.077 530 V CA -1.925 60.395 62.300 0.033 0.000 0.910 530 V CB 2.389 34.237 31.823 0.043 0.000 1.008 530 V HN 0.725 nan 8.190 nan 0.000 0.424 531 P HA 0.263 nan 4.420 nan 0.000 0.274 531 P C -1.004 176.339 177.300 0.072 0.000 1.246 531 P CA -0.393 62.759 63.100 0.087 0.000 0.795 531 P CB 0.756 32.547 31.700 0.151 0.000 1.006 532 D N 0.697 121.135 120.400 0.063 0.000 2.362 532 D HA 0.202 4.841 4.640 -0.002 0.000 0.238 532 D C 0.440 176.764 176.300 0.040 0.000 1.212 532 D CA 0.435 54.475 54.000 0.067 0.000 0.902 532 D CB -0.105 40.772 40.800 0.129 0.000 1.180 532 D HN 0.243 nan 8.370 nan 0.000 0.445 533 M N 1.014 120.641 119.600 0.045 0.000 2.409 533 M HA 0.356 4.835 4.480 -0.002 0.000 0.329 533 M C -2.136 174.106 176.300 -0.096 0.000 1.180 533 M CA -1.747 53.456 55.300 -0.161 0.000 1.053 533 M CB 0.660 33.153 32.600 -0.178 0.000 1.586 533 M HN 0.139 nan 8.290 nan 0.000 0.461 534 P HA -0.041 nan 4.420 nan 0.000 0.266 534 P C -0.312 176.978 177.300 -0.017 0.000 1.186 534 P CA 0.022 63.030 63.100 -0.153 0.000 0.767 534 P CB 0.444 32.014 31.700 -0.218 0.000 0.820 535 S N 1.071 116.797 115.700 0.044 0.000 2.617 535 S HA 0.092 4.561 4.470 -0.002 0.000 0.259 535 S C 0.861 175.560 174.600 0.165 0.000 1.301 535 S CA -0.486 57.779 58.200 0.108 0.000 0.984 535 S CB -0.094 63.155 63.200 0.082 0.000 0.954 535 S HN 0.377 nan 8.310 nan 0.000 0.572 536 F N 1.267 121.223 119.950 0.011 0.000 2.187 536 F HA 0.116 4.642 4.527 -0.002 0.000 0.295 536 F C 2.478 178.299 175.800 0.034 0.000 1.091 536 F CA 1.814 59.824 58.000 0.016 0.000 1.308 536 F CB -1.071 37.951 39.000 0.036 0.000 1.030 536 F HN 0.826 nan 8.300 nan 0.000 0.487 537 Q N -0.629 119.162 119.800 -0.015 0.000 2.119 537 Q HA -0.174 4.165 4.340 -0.002 0.000 0.201 537 Q C 2.462 178.424 176.000 -0.063 0.000 0.972 537 Q CA 1.857 57.587 55.803 -0.122 0.000 0.847 537 Q CB -0.294 28.413 28.738 -0.052 0.000 0.903 537 Q HN 0.390 nan 8.270 nan 0.000 0.433 538 S N 0.049 115.750 115.700 0.000 0.000 2.353 538 S HA -0.132 4.337 4.470 -0.002 0.000 0.222 538 S C 1.872 176.480 174.600 0.013 0.000 1.035 538 S CA 1.230 59.436 58.200 0.010 0.000 1.025 538 S CB -0.344 62.870 63.200 0.024 0.000 0.902 538 S HN 0.513 nan 8.310 nan 0.000 0.440 539 L N 0.551 121.800 121.223 0.043 0.000 2.265 539 L HA -0.062 4.277 4.340 -0.002 0.000 0.215 539 L C 2.596 179.474 176.870 0.012 0.000 1.117 539 L CA 1.056 55.932 54.840 0.059 0.000 0.782 539 L CB -0.329 41.815 42.059 0.142 0.000 0.914 539 L HN 0.320 nan 8.230 nan 0.000 0.441 540 K N 0.130 120.490 120.400 -0.066 0.000 1.995 540 K HA -0.114 4.205 4.320 -0.002 0.000 0.207 540 K C 1.940 178.513 176.600 -0.044 0.000 1.041 540 K CA 1.043 57.262 56.287 -0.112 0.000 0.942 540 K CB -0.105 32.248 32.500 -0.245 0.000 0.731 540 K HN 0.180 nan 8.250 nan 0.000 0.439 541 E N 1.082 121.257 120.200 -0.041 0.000 2.113 541 E HA -0.307 4.042 4.350 -0.002 0.000 0.210 541 E C 2.166 178.763 176.600 -0.005 0.000 1.040 541 E CA 1.797 58.188 56.400 -0.016 0.000 0.847 541 E CB -0.079 29.613 29.700 -0.013 0.000 0.755 541 E HN 0.317 nan 8.360 nan 0.000 0.459 542 Q N -0.361 119.438 119.800 -0.002 0.000 2.167 542 Q HA -0.106 4.233 4.340 -0.002 0.000 0.202 542 Q C 2.187 178.184 176.000 -0.004 0.000 0.970 542 Q CA 1.049 56.854 55.803 0.003 0.000 0.855 542 Q CB -0.070 28.678 28.738 0.017 0.000 0.911 542 Q HN 0.263 nan 8.270 nan 0.000 0.438 543 A N 1.521 124.334 122.820 -0.011 0.000 1.855 543 A HA -0.213 4.106 4.320 -0.002 0.000 0.215 543 A C 1.493 179.064 177.584 -0.022 0.000 1.191 543 A CA 1.812 53.833 52.037 -0.027 0.000 0.613 543 A CB -0.596 18.378 19.000 -0.044 0.000 0.829 543 A HN 0.262 nan 8.150 nan 0.000 0.442 544 D N -0.100 120.296 120.400 -0.007 0.000 2.106 544 D HA -0.164 4.475 4.640 -0.002 0.000 0.191 544 D C 1.898 178.205 176.300 0.012 0.000 0.997 544 D CA 1.467 55.477 54.000 0.017 0.000 0.834 544 D CB -0.182 40.641 40.800 0.038 0.000 0.956 544 D HN 0.422 nan 8.370 nan 0.000 0.448 545 N N -0.118 118.586 118.700 0.006 0.000 2.149 545 N HA -0.134 4.605 4.740 -0.002 0.000 0.188 545 N C 1.444 176.954 175.510 -0.000 0.000 1.019 545 N CA 1.106 54.159 53.050 0.004 0.000 0.857 545 N CB -0.041 38.448 38.487 0.002 0.000 0.997 545 N HN 0.118 nan 8.380 nan 0.000 0.426 546 A N 0.143 122.959 122.820 -0.006 0.000 2.238 546 A HA 0.119 4.437 4.320 -0.002 0.000 0.208 546 A C 1.927 179.503 177.584 -0.013 0.000 1.177 546 A CA 0.347 52.377 52.037 -0.012 0.000 0.804 546 A CB 0.219 19.208 19.000 -0.020 0.000 0.823 546 A HN 0.120 nan 8.150 nan 0.000 0.482 547 V N -0.700 119.211 119.914 -0.006 0.000 3.379 547 V HA 0.023 4.142 4.120 -0.002 0.000 0.249 547 V C 0.592 176.691 176.094 0.010 0.000 1.184 547 V CA 0.393 62.693 62.300 -0.001 0.000 1.106 547 V CB -0.612 31.212 31.823 0.001 0.000 0.826 547 V HN 0.516 nan 8.190 nan 0.000 0.465 548 N N 2.111 120.819 118.700 0.013 0.000 3.124 548 N HA 0.460 5.199 4.740 -0.002 0.000 0.284 548 N C 0.466 175.981 175.510 0.009 0.000 1.209 548 N CA 0.506 53.566 53.050 0.016 0.000 1.149 548 N CB 0.252 38.752 38.487 0.021 0.000 1.434 548 N HN 0.542 nan 8.380 nan 0.000 0.529 549 G N 0.932 109.736 108.800 0.006 0.000 2.858 549 G HA2 0.245 4.204 3.960 -0.002 0.000 0.272 549 G HA3 0.245 4.204 3.960 -0.002 0.000 0.272 549 G C 0.140 175.039 174.900 -0.002 0.000 1.003 549 G CA -0.604 44.497 45.100 0.002 0.000 1.241 549 G HN 0.835 nan 8.290 nan 0.000 0.569 554 D N 1.633 122.007 120.400 -0.043 0.000 3.888 554 D HA 0.183 4.822 4.640 -0.002 0.000 0.271 554 D C -0.753 175.516 176.300 -0.052 0.000 1.399 554 D CA -0.179 53.788 54.000 -0.055 0.000 0.775 554 D CB 0.350 41.117 40.800 -0.055 0.000 1.356 554 D HN 0.371 nan 8.370 nan 0.000 0.753 555 L N 0.990 122.197 121.223 -0.027 0.000 2.650 555 L HA 0.198 4.537 4.340 -0.002 0.000 0.239 555 L C 0.478 177.303 176.870 -0.074 0.000 1.412 555 L CA 0.130 54.983 54.840 0.022 0.000 1.219 555 L CB -0.205 41.913 42.059 0.098 0.000 1.534 555 L HN 0.129 nan 8.230 nan 0.000 0.430 556 S N 0.043 115.644 115.700 -0.165 0.000 2.420 556 S HA 0.674 5.143 4.470 -0.002 0.000 0.313 556 S C 0.498 174.852 174.600 -0.412 0.000 1.079 556 S CA 0.329 58.380 58.200 -0.248 0.000 1.104 556 S CB 1.105 64.212 63.200 -0.155 0.000 0.969 556 S HN 0.555 nan 8.310 nan 0.000 0.471 557 A N 4.574 127.035 122.820 -0.598 0.000 1.544 557 A HA 0.190 4.509 4.320 -0.002 0.000 0.206 557 A C 0.022 177.354 177.584 -0.420 0.000 1.895 557 A CA -0.119 51.512 52.037 -0.677 0.000 1.585 557 A CB -0.524 17.793 19.000 -1.138 0.000 1.485 557 A HN 0.691 nan 8.150 nan 0.000 0.342 558 Y N 3.336 123.605 120.300 -0.050 0.000 2.465 558 Y HA 0.234 4.783 4.550 -0.002 0.000 0.311 558 Y C 1.295 177.161 175.900 -0.056 0.000 1.204 558 Y CA 0.384 58.457 58.100 -0.044 0.000 1.272 558 Y CB -0.640 37.806 38.460 -0.023 0.000 1.083 558 Y HN 0.583 nan 8.280 nan 0.000 0.508 559 E N -0.289 119.919 120.200 0.013 0.000 2.445 559 E HA 0.189 4.538 4.350 -0.002 0.000 0.189 559 E C 0.717 177.296 176.600 -0.034 0.000 1.069 559 E CA 0.126 56.518 56.400 -0.014 0.000 0.871 559 E CB 0.238 29.909 29.700 -0.049 0.000 0.991 559 E HN 0.502 nan 8.360 nan 0.000 0.481 560 R N -0.295 120.189 120.500 -0.026 0.000 5.526 560 R HA 0.127 4.466 4.340 -0.002 0.000 0.096 560 R C -0.337 175.965 176.300 0.003 0.000 1.019 560 R CA 0.219 56.294 56.100 -0.042 0.000 0.836 560 R CB 0.282 30.538 30.300 -0.073 0.000 1.241 560 R HN -0.023 nan 8.270 nan 0.000 0.385 561 S N 0.368 116.074 115.700 0.009 0.000 3.727 561 S HA -0.164 4.305 4.470 -0.002 0.000 0.444 561 S C 0.673 175.338 174.600 0.109 0.000 0.867 561 S CA 0.281 58.514 58.200 0.055 0.000 1.324 561 S CB -1.755 61.498 63.200 0.089 0.000 0.890 561 S HN 0.542 nan 8.310 nan 0.000 0.599 562 c N 0.794 119.474 118.600 0.132 0.000 2.422 562 c HA 0.100 4.669 4.570 -0.002 0.000 0.279 562 c C 2.362 176.647 174.090 0.326 0.000 1.305 562 c CA 0.589 57.073 56.329 0.259 0.000 1.757 562 c CB -1.599 41.091 42.510 0.300 0.000 1.962 562 c HN 1.024 nan 8.230 nan 0.000 0.499 563 G N 0.413 109.296 108.800 0.137 0.000 2.661 563 G HA2 0.344 4.303 3.960 -0.002 0.000 0.272 563 G HA3 0.344 4.303 3.960 -0.002 0.000 0.272 563 G C -0.064 174.666 174.900 -0.282 0.000 1.296 563 G CA -0.080 44.995 45.100 -0.042 0.000 0.998 563 G HN 0.631 nan 8.290 nan 0.000 0.553 564 I N -2.374 117.980 120.570 -0.360 0.000 2.783 564 I HA 0.533 4.702 4.170 -0.002 0.000 0.312 564 I C -2.529 173.501 176.117 -0.146 0.000 0.988 564 I CA -2.824 58.254 61.300 -0.370 0.000 1.182 564 I CB 1.937 39.729 38.000 -0.347 0.000 1.368 564 I HN 0.127 nan 8.210 nan 0.000 0.511 565 P HA 0.031 nan 4.420 nan 0.000 0.267 565 P C -0.270 177.011 177.300 -0.031 0.000 1.205 565 P CA 0.260 63.324 63.100 -0.060 0.000 0.765 565 P CB 0.557 32.209 31.700 -0.080 0.000 0.828 566 D N 3.468 123.868 120.400 0.000 0.000 2.190 566 D HA -0.211 4.428 4.640 -0.002 0.000 0.200 566 D C 1.702 178.085 176.300 0.138 0.000 0.992 566 D CA 1.452 55.490 54.000 0.062 0.000 0.854 566 D CB 0.052 40.885 40.800 0.054 0.000 0.936 566 D HN 0.355 nan 8.370 nan 0.000 0.462 567 R N -0.272 120.241 120.500 0.021 0.000 2.159 567 R HA -0.090 4.249 4.340 -0.002 0.000 0.237 567 R C 1.721 178.059 176.300 0.063 0.000 1.131 567 R CA 1.126 57.220 56.100 -0.011 0.000 0.982 567 R CB -0.505 29.745 30.300 -0.084 0.000 0.868 567 R HN 0.269 nan 8.270 nan 0.000 0.453 568 M N 0.697 120.309 119.600 0.020 0.000 2.556 568 M HA 0.075 4.554 4.480 -0.002 0.000 0.245 568 M C 1.729 178.005 176.300 -0.039 0.000 1.128 568 M CA 0.148 55.444 55.300 -0.006 0.000 1.069 568 M CB -0.628 31.948 32.600 -0.040 0.000 1.469 568 M HN 0.128 nan 8.290 nan 0.000 0.494 569 L N 1.494 122.692 121.223 -0.041 0.000 2.013 569 L HA -0.196 4.143 4.340 -0.002 0.000 0.239 569 L C 0.617 177.373 176.870 -0.189 0.000 1.100 569 L CA 1.959 56.724 54.840 -0.127 0.000 0.826 569 L CB -0.708 41.223 42.059 -0.214 0.000 0.921 569 L HN 0.149 nan 8.230 nan 0.000 0.445 570 L N -0.104 120.949 121.223 -0.282 0.000 2.421 570 L HA 0.359 4.698 4.340 -0.002 0.000 0.263 570 L C -1.944 174.715 176.870 -0.352 0.000 1.122 570 L CA -1.745 52.881 54.840 -0.357 0.000 0.804 570 L CB -0.471 41.356 42.059 -0.386 0.000 1.150 570 L HN 0.162 nan 8.230 nan 0.000 0.457 571 P HA 0.092 nan 4.420 nan 0.000 0.274 571 P C 0.054 177.132 177.300 -0.369 0.000 1.256 571 P CA -0.506 62.315 63.100 -0.464 0.000 0.795 571 P CB 0.752 31.972 31.700 -0.800 0.000 1.038 572 K N 0.625 120.849 120.400 -0.292 0.000 2.097 572 K HA -0.075 4.244 4.320 -0.002 0.000 0.205 572 K C 0.784 177.134 176.600 -0.417 0.000 1.050 572 K CA 1.236 57.266 56.287 -0.428 0.000 0.938 572 K CB -0.287 31.947 32.500 -0.444 0.000 0.718 572 K HN 0.551 nan 8.250 nan 0.000 0.442 573 S N -0.620 114.937 115.700 -0.237 0.000 3.443 573 S HA -0.203 4.266 4.470 -0.002 0.000 0.635 573 S C -1.063 173.449 174.600 -0.146 0.000 2.555 573 S CA 0.953 59.093 58.200 -0.100 0.000 2.778 573 S CB -0.625 62.583 63.200 0.013 0.000 0.331 573 S HN 0.462 nan 8.310 nan 0.000 1.765 574 K N 1.192 121.572 120.400 -0.032 0.000 2.221 574 K HA 0.501 4.820 4.320 -0.002 0.000 0.243 574 K C -2.169 174.533 176.600 0.170 0.000 0.968 574 K CA -1.788 54.548 56.287 0.082 0.000 0.846 574 K CB 1.246 33.819 32.500 0.121 0.000 1.141 574 K HN 0.289 nan 8.250 nan 0.000 0.434 575 P HA -0.099 nan 4.420 nan 0.000 0.225 575 P C 0.164 177.550 177.300 0.143 0.000 1.156 575 P CA 1.023 64.237 63.100 0.191 0.000 0.787 575 P CB 0.268 32.072 31.700 0.173 0.000 0.802 576 E N -0.336 119.952 120.200 0.146 0.000 2.112 576 E HA 0.199 4.548 4.350 -0.002 0.000 0.190 576 E C 0.923 177.568 176.600 0.074 0.000 0.979 576 E CA 0.640 57.105 56.400 0.107 0.000 0.814 576 E CB -0.413 29.368 29.700 0.135 0.000 0.762 576 E HN 0.152 nan 8.360 nan 0.000 0.460 577 G N 1.657 110.503 108.800 0.075 0.000 2.675 577 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.686 577 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.686 577 G C -0.492 174.383 174.900 -0.042 0.000 1.215 577 G CA -0.220 44.891 45.100 0.018 0.000 0.777 577 G HN 0.134 nan 8.290 nan 0.000 0.638 578 M N -0.698 118.811 119.600 -0.152 0.000 2.593 578 M HA 0.811 5.290 4.480 -0.002 0.000 0.290 578 M C -0.551 175.435 176.300 -0.523 0.000 1.244 578 M CA -1.092 53.990 55.300 -0.364 0.000 0.857 578 M CB 2.427 34.732 32.600 -0.492 0.000 1.738 578 M HN 0.461 nan 8.290 nan 0.000 0.461 579 E N 1.660 121.554 120.200 -0.511 0.000 2.133 579 E HA 0.562 4.910 4.350 -0.002 0.000 0.274 579 E C -1.592 174.719 176.600 -0.483 0.000 0.930 579 E CA -0.358 55.829 56.400 -0.355 0.000 0.770 579 E CB 1.424 31.035 29.700 -0.149 0.000 1.104 579 E HN 0.440 nan 8.360 nan 0.000 0.403 580 F N 1.101 121.061 119.950 0.017 0.000 2.461 580 F HA 0.339 4.865 4.527 -0.002 0.000 0.332 580 F C 0.770 176.628 175.800 0.096 0.000 1.073 580 F CA -1.058 56.979 58.000 0.062 0.000 1.017 580 F CB 0.820 39.825 39.000 0.008 0.000 1.301 580 F HN 0.282 nan 8.300 nan 0.000 0.492 581 N N 1.393 120.310 118.700 0.362 0.000 2.417 581 N HA 0.330 5.069 4.740 -0.002 0.000 0.274 581 N C -1.605 174.110 175.510 0.341 0.000 0.987 581 N CA -0.394 52.837 53.050 0.302 0.000 0.912 581 N CB 1.391 40.058 38.487 0.300 0.000 1.177 581 N HN 0.602 nan 8.380 nan 0.000 0.490 582 L N 3.905 125.274 121.223 0.244 0.000 2.275 582 L HA 0.440 4.779 4.340 -0.002 0.000 0.288 582 L C -1.167 175.802 176.870 0.166 0.000 1.046 582 L CA -0.668 54.318 54.840 0.242 0.000 0.805 582 L CB 0.367 42.545 42.059 0.197 0.000 1.193 582 L HN 0.478 nan 8.230 nan 0.000 0.426 583 Y N 4.213 124.648 120.300 0.226 0.000 2.342 583 Y HA 0.465 5.014 4.550 -0.002 0.000 0.338 583 Y C -0.319 175.698 175.900 0.195 0.000 0.965 583 Y CA -0.424 57.821 58.100 0.243 0.000 1.159 583 Y CB 1.822 40.460 38.460 0.295 0.000 1.157 583 Y HN 0.220 nan 8.280 nan 0.000 0.486 584 V N 3.997 124.036 119.914 0.207 0.000 2.350 584 V HA 0.765 4.883 4.120 -0.002 0.000 0.285 584 V C -0.429 175.766 176.094 0.168 0.000 1.014 584 V CA -0.809 61.576 62.300 0.141 0.000 0.831 584 V CB 1.215 33.093 31.823 0.091 0.000 1.000 584 V HN 0.808 nan 8.190 nan 0.000 0.433 585 A N 4.398 127.319 122.820 0.167 0.000 2.319 585 A HA 0.800 5.119 4.320 -0.002 0.000 0.310 585 A C -0.858 176.736 177.584 0.018 0.000 1.152 585 A CA -0.633 51.493 52.037 0.148 0.000 0.783 585 A CB 1.878 21.020 19.000 0.237 0.000 1.184 585 A HN 1.054 nan 8.150 nan 0.000 0.474 586 V N 4.252 124.148 119.914 -0.029 0.000 2.326 586 V HA 0.656 4.775 4.120 -0.002 0.000 0.281 586 V C 0.279 176.316 176.094 -0.095 0.000 1.015 586 V CA 0.437 62.612 62.300 -0.209 0.000 0.823 586 V CB 1.005 32.612 31.823 -0.359 0.000 1.009 586 V HN 1.228 nan 8.190 nan 0.000 0.436 587 T N 2.065 116.477 114.554 -0.237 0.000 2.881 587 T HA 0.341 4.690 4.350 -0.002 0.000 0.278 587 T C 0.096 174.260 174.700 -0.894 0.000 0.982 587 T CA -0.502 61.376 62.100 -0.370 0.000 0.989 587 T CB 1.409 70.143 68.868 -0.222 0.000 1.058 587 T HN 0.678 nan 8.240 nan 0.000 0.529 588 D N 0.426 120.107 120.400 -1.198 0.000 2.455 588 D HA 0.183 4.822 4.640 -0.002 0.000 0.234 588 D C 1.671 177.592 176.300 -0.631 0.000 1.224 588 D CA 0.234 53.398 54.000 -1.393 0.000 0.999 588 D CB -0.026 40.176 40.800 -0.997 0.000 1.072 588 D HN 0.787 nan 8.370 nan 0.000 0.514 589 G N 3.901 112.416 108.800 -0.476 0.000 2.656 589 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.223 589 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.223 589 G C 1.225 175.944 174.900 -0.302 0.000 1.130 589 G CA 0.847 45.771 45.100 -0.294 0.000 0.758 589 G HN 0.449 nan 8.290 nan 0.000 0.608 590 D N -0.544 119.718 120.400 -0.231 0.000 2.263 590 D HA 0.005 4.644 4.640 -0.002 0.000 0.208 590 D C 2.188 178.372 176.300 -0.193 0.000 0.971 590 D CA 0.917 54.807 54.000 -0.183 0.000 0.867 590 D CB 0.002 40.740 40.800 -0.103 0.000 0.929 590 D HN 0.458 nan 8.370 nan 0.000 0.492 591 K N -0.278 119.993 120.400 -0.216 0.000 2.348 591 K HA -0.002 4.317 4.320 -0.002 0.000 0.194 591 K C 0.714 177.189 176.600 -0.208 0.000 1.052 591 K CA 0.109 56.283 56.287 -0.190 0.000 1.004 591 K CB 0.522 32.920 32.500 -0.170 0.000 0.873 591 K HN -0.120 nan 8.250 nan 0.000 0.523 592 D N 0.483 120.734 120.400 -0.248 0.000 2.087 592 D HA -0.129 4.510 4.640 -0.002 0.000 0.210 592 D C 0.998 177.170 176.300 -0.212 0.000 0.973 592 D CA 1.887 55.759 54.000 -0.213 0.000 0.882 592 D CB -0.360 40.333 40.800 -0.179 0.000 1.019 592 D HN 0.207 nan 8.370 nan 0.000 0.450 593 T N -0.717 113.617 114.554 -0.366 0.000 3.722 593 T HA -0.004 4.345 4.350 -0.002 0.000 0.247 593 T C 0.695 175.185 174.700 -0.350 0.000 1.004 593 T CA -0.024 61.828 62.100 -0.414 0.000 0.947 593 T CB -0.584 67.839 68.868 -0.741 0.000 1.114 593 T HN 0.119 nan 8.240 nan 0.000 0.633 594 E N 0.421 120.445 120.200 -0.293 0.000 2.352 594 E HA 0.209 4.558 4.350 -0.002 0.000 0.197 594 E C 1.270 177.661 176.600 -0.348 0.000 1.224 594 E CA 0.061 56.304 56.400 -0.262 0.000 1.118 594 E CB -0.846 28.740 29.700 -0.189 0.000 1.198 594 E HN 0.803 nan 8.360 nan 0.000 0.454 595 G N 0.063 108.533 108.800 -0.551 0.000 4.251 595 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.147 595 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.147 595 G C -0.332 174.137 174.900 -0.719 0.000 1.014 595 G CA -0.073 44.593 45.100 -0.723 0.000 0.831 595 G HN 0.422 nan 8.290 nan 0.000 0.539 607 A N 0.238 123.050 122.820 -0.014 0.000 2.508 607 A HA 0.152 4.471 4.320 -0.002 0.000 0.250 607 A C 0.796 178.471 177.584 0.152 0.000 1.208 607 A CA -0.045 52.012 52.037 0.033 0.000 0.960 607 A CB 0.368 19.334 19.000 -0.058 0.000 1.099 607 A HN 0.423 nan 8.150 nan 0.000 0.542 608 Q N -1.191 118.778 119.800 0.282 0.000 2.287 608 Q HA 0.136 4.475 4.340 -0.002 0.000 0.201 608 Q C 0.580 176.802 176.000 0.370 0.000 0.946 608 Q CA 0.770 56.781 55.803 0.346 0.000 0.868 608 Q CB -0.554 28.403 28.738 0.364 0.000 0.967 608 Q HN 0.431 nan 8.270 nan 0.000 0.516 609 c N 2.432 121.209 118.600 0.295 0.000 2.185 609 c HA 0.553 5.122 4.570 -0.002 0.000 0.357 609 c C 1.311 175.491 174.090 0.150 0.000 1.053 609 c CA -0.796 55.652 56.329 0.197 0.000 1.552 609 c CB -0.882 41.669 42.510 0.068 0.000 1.679 609 c HN 0.554 nan 8.230 nan 0.000 0.453 610 G N 2.644 111.598 108.800 0.256 0.000 3.262 610 G HA2 0.041 4.000 3.960 -0.002 0.000 0.222 610 G HA3 0.041 4.000 3.960 -0.002 0.000 0.222 610 G C 1.289 176.235 174.900 0.077 0.000 1.269 610 G CA 0.303 45.531 45.100 0.213 0.000 1.032 610 G HN 0.628 nan 8.290 nan 0.000 0.502 611 V N 0.180 120.037 119.914 -0.095 0.000 2.418 611 V HA -0.261 3.858 4.120 -0.002 0.000 0.258 611 V C 1.686 177.834 176.094 0.089 0.000 1.088 611 V CA 1.790 63.968 62.300 -0.203 0.000 1.091 611 V CB -0.584 31.118 31.823 -0.202 0.000 0.669 611 V HN 0.717 nan 8.190 nan 0.000 0.461 612 H N -1.569 117.415 119.070 -0.144 0.000 2.472 612 H HA 0.428 4.983 4.556 -0.002 0.000 0.287 612 H C 1.531 176.650 175.328 -0.349 0.000 1.112 612 H CA 0.343 56.139 56.048 -0.421 0.000 1.021 612 H CB 0.452 29.945 29.762 -0.450 0.000 1.635 612 H HN 0.477 nan 8.280 nan 0.000 0.559 613 G N 1.653 110.605 108.800 0.254 0.000 2.195 613 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.224 613 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.224 613 G C 0.005 175.052 174.900 0.244 0.000 0.990 613 G CA -0.493 44.832 45.100 0.374 0.000 0.639 613 G HN 0.459 nan 8.290 nan 0.000 0.514 614 E N 1.285 121.585 120.200 0.166 0.000 2.383 614 E HA 0.462 4.811 4.350 -0.002 0.000 0.257 614 E C 0.851 177.533 176.600 0.137 0.000 1.079 614 E CA 0.181 56.651 56.400 0.117 0.000 0.934 614 E CB 0.773 30.519 29.700 0.076 0.000 0.978 614 E HN 0.773 nan 8.360 nan 0.000 0.462 615 A N 4.399 127.263 122.820 0.074 0.000 2.537 615 A HA -0.098 4.221 4.320 -0.002 0.000 0.260 615 A C -0.392 177.129 177.584 -0.105 0.000 1.082 615 A CA -0.092 51.931 52.037 -0.023 0.000 0.765 615 A CB -0.295 18.618 19.000 -0.146 0.000 1.019 615 A HN 0.626 nan 8.150 nan 0.000 0.507 616 Y N 6.279 126.512 120.300 -0.110 0.000 2.881 616 Y HA 0.053 4.602 4.550 -0.002 0.000 0.335 616 Y C -1.034 174.747 175.900 -0.198 0.000 1.263 616 Y CA -0.626 57.437 58.100 -0.061 0.000 1.572 616 Y CB 0.652 39.116 38.460 0.007 0.000 1.237 616 Y HN 0.606 nan 8.280 nan 0.000 0.568 617 P HA -0.122 nan 4.420 nan 0.000 0.220 617 P C -0.037 177.289 177.300 0.043 0.000 1.152 617 P CA 0.939 63.980 63.100 -0.098 0.000 0.812 617 P CB 0.243 31.963 31.700 0.032 0.000 0.792 618 D N -0.269 120.039 120.400 -0.154 0.000 2.304 618 D HA 0.060 4.699 4.640 -0.002 0.000 0.247 618 D C 0.795 177.151 176.300 0.094 0.000 1.089 618 D CA -0.186 53.831 54.000 0.028 0.000 0.910 618 D CB 0.493 41.286 40.800 -0.012 0.000 1.199 618 D HN -0.205 nan 8.370 nan 0.000 0.426 619 N N 1.707 120.448 118.700 0.067 0.000 2.348 619 N HA 0.015 4.754 4.740 -0.002 0.000 0.183 619 N C 0.126 175.644 175.510 0.014 0.000 1.094 619 N CA -0.112 52.984 53.050 0.076 0.000 0.885 619 N CB 0.270 38.776 38.487 0.032 0.000 1.065 619 N HN 0.213 nan 8.380 nan 0.000 0.472 620 R N 2.074 122.519 120.500 -0.091 0.000 2.817 620 R HA 0.112 4.451 4.340 -0.002 0.000 0.264 620 R C -1.730 174.579 176.300 0.015 0.000 1.009 620 R CA -1.123 54.858 56.100 -0.198 0.000 1.133 620 R CB -0.453 29.538 30.300 -0.514 0.000 1.013 620 R HN 0.175 nan 8.270 nan 0.000 0.453 621 P HA 0.043 nan 4.420 nan 0.000 0.288 621 P C -0.655 176.685 177.300 0.067 0.000 1.291 621 P CA -0.253 62.932 63.100 0.141 0.000 0.766 621 P CB 0.457 32.293 31.700 0.227 0.000 1.242 622 L N -0.652 120.553 121.223 -0.029 0.000 2.265 622 L HA 0.548 4.887 4.340 -0.002 0.000 0.289 622 L C 1.240 177.765 176.870 -0.574 0.000 1.033 622 L CA 0.954 55.532 54.840 -0.437 0.000 0.814 622 L CB 0.358 41.976 42.059 -0.735 0.000 1.203 622 L HN 0.831 nan 8.230 nan 0.000 0.423 623 G N 2.092 110.554 108.800 -0.564 0.000 2.159 623 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.170 623 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.170 623 G C -0.074 174.819 174.900 -0.012 0.000 1.007 623 G CA -0.658 44.316 45.100 -0.211 0.000 0.672 623 G HN 0.448 nan 8.290 nan 0.000 0.507 624 Y N 2.496 122.797 120.300 0.000 0.000 2.721 624 Y HA 0.393 4.941 4.550 -0.002 0.000 0.329 624 Y C -1.472 174.482 175.900 0.090 0.000 1.211 624 Y CA -0.050 58.080 58.100 0.050 0.000 1.512 624 Y CB 1.133 39.616 38.460 0.038 0.000 1.249 624 Y HN 0.082 nan 8.280 nan 0.000 0.549 625 P HA 0.170 nan 4.420 nan 0.000 0.263 625 P C -0.172 176.964 177.300 -0.274 0.000 1.821 625 P CA 0.293 62.954 63.100 -0.732 0.000 1.186 625 P CB 0.060 31.098 31.700 -1.103 0.000 1.623 626 L N 0.312 121.383 121.223 -0.252 0.000 2.667 626 L HA 0.147 4.486 4.340 -0.002 0.000 0.232 626 L C 1.968 178.850 176.870 0.019 0.000 1.138 626 L CA 0.233 54.958 54.840 -0.191 0.000 0.921 626 L CB -0.182 41.621 42.059 -0.426 0.000 1.180 626 L HN 0.079 nan 8.230 nan 0.000 0.487 627 E N 1.364 121.627 120.200 0.105 0.000 2.502 627 E HA -0.076 4.273 4.350 -0.002 0.000 0.194 627 E C 0.658 177.368 176.600 0.183 0.000 1.062 627 E CA 0.109 56.672 56.400 0.271 0.000 0.867 627 E CB 0.374 30.251 29.700 0.296 0.000 0.888 627 E HN 0.372 nan 8.360 nan 0.000 0.510 628 R N 0.595 121.144 120.500 0.082 0.000 2.778 628 R HA 0.370 4.709 4.340 -0.002 0.000 0.277 628 R C -0.226 176.039 176.300 -0.059 0.000 0.977 628 R CA -0.827 55.241 56.100 -0.053 0.000 0.950 628 R CB 1.415 31.570 30.300 -0.242 0.000 1.165 628 R HN -0.087 nan 8.270 nan 0.000 0.474 629 R N 2.485 122.919 120.500 -0.110 0.000 2.566 629 R HA -0.002 4.337 4.340 -0.002 0.000 0.273 629 R C -0.200 176.067 176.300 -0.055 0.000 0.981 629 R CA 0.836 56.878 56.100 -0.097 0.000 1.091 629 R CB 0.165 30.398 30.300 -0.112 0.000 0.924 629 R HN 0.486 nan 8.270 nan 0.000 0.411 630 I N 5.674 126.222 120.570 -0.036 0.000 2.668 630 I HA 0.153 4.322 4.170 -0.002 0.000 0.276 630 I C -1.741 174.371 176.117 -0.009 0.000 1.139 630 I CA -1.956 59.338 61.300 -0.009 0.000 1.133 630 I CB 1.675 39.672 38.000 -0.005 0.000 1.327 630 I HN 0.370 nan 8.210 nan 0.000 0.520 631 P HA -0.086 nan 4.420 nan 0.000 0.215 631 P C -0.209 177.096 177.300 0.009 0.000 1.157 631 P CA 1.273 64.369 63.100 -0.008 0.000 0.859 631 P CB 0.017 31.709 31.700 -0.012 0.000 0.786 632 D N -1.137 119.276 120.400 0.023 0.000 2.549 632 D HA 0.067 4.706 4.640 -0.002 0.000 0.251 632 D C 0.484 176.814 176.300 0.050 0.000 1.153 632 D CA -0.861 53.160 54.000 0.035 0.000 0.861 632 D CB 0.999 41.819 40.800 0.034 0.000 1.207 632 D HN -0.014 nan 8.370 nan 0.000 0.543 633 E N 2.579 122.813 120.200 0.057 0.000 2.333 633 E HA -0.200 4.149 4.350 -0.002 0.000 0.198 633 E C 1.615 178.273 176.600 0.096 0.000 1.007 633 E CA 0.526 56.974 56.400 0.079 0.000 0.845 633 E CB 0.137 29.890 29.700 0.088 0.000 0.766 633 E HN 0.438 nan 8.360 nan 0.000 0.507 634 R N -0.389 120.159 120.500 0.080 0.000 2.178 634 R HA -0.223 4.115 4.340 -0.002 0.000 0.257 634 R C 1.966 178.324 176.300 0.097 0.000 1.163 634 R CA 1.908 58.056 56.100 0.080 0.000 0.981 634 R CB -0.170 30.166 30.300 0.061 0.000 0.878 634 R HN 0.136 nan 8.270 nan 0.000 0.454 635 V N -0.352 119.622 119.914 0.100 0.000 2.331 635 V HA -0.154 3.965 4.120 -0.002 0.000 0.242 635 V C 1.999 178.164 176.094 0.119 0.000 1.034 635 V CA 1.302 63.673 62.300 0.119 0.000 1.027 635 V CB -0.394 31.494 31.823 0.107 0.000 0.667 635 V HN 0.159 nan 8.190 nan 0.000 0.457 636 I N 0.964 121.601 120.570 0.111 0.000 2.185 636 I HA -0.281 3.888 4.170 -0.002 0.000 0.246 636 I C 2.026 178.231 176.117 0.146 0.000 1.088 636 I CA 1.655 63.029 61.300 0.123 0.000 1.347 636 I CB -0.759 37.333 38.000 0.153 0.000 1.041 636 I HN 0.288 nan 8.210 nan 0.000 0.415 637 D N 0.049 120.545 120.400 0.160 0.000 2.354 637 D HA -0.088 4.551 4.640 -0.002 0.000 0.216 637 D C 1.833 178.207 176.300 0.124 0.000 0.970 637 D CA 1.340 55.430 54.000 0.150 0.000 0.905 637 D CB -0.267 40.617 40.800 0.140 0.000 0.903 637 D HN 0.447 nan 8.370 nan 0.000 0.508 638 G N -0.291 108.595 108.800 0.143 0.000 3.863 638 G HA2 0.294 4.253 3.960 -0.002 0.000 0.290 638 G HA3 0.294 4.253 3.960 -0.002 0.000 0.290 638 G C 0.014 175.054 174.900 0.234 0.000 1.018 638 G CA -0.100 45.106 45.100 0.177 0.000 0.824 638 G HN 0.181 nan 8.290 nan 0.000 0.507 639 V N -0.430 119.544 119.914 0.100 0.000 2.435 639 V HA 0.618 4.737 4.120 -0.002 0.000 0.290 639 V C 1.294 177.414 176.094 0.043 0.000 1.030 639 V CA 0.307 62.592 62.300 -0.026 0.000 0.881 639 V CB 1.389 33.123 31.823 -0.149 0.000 0.983 639 V HN 0.236 nan 8.190 nan 0.000 0.445 640 S N 3.303 119.031 115.700 0.047 0.000 2.382 640 S HA -0.218 4.251 4.470 -0.002 0.000 0.228 640 S C 1.208 175.830 174.600 0.036 0.000 1.027 640 S CA 1.544 59.768 58.200 0.040 0.000 0.991 640 S CB -1.052 62.161 63.200 0.021 0.000 0.823 640 S HN 1.048 nan 8.310 nan 0.000 0.469 641 N N 0.917 119.643 118.700 0.044 0.000 2.413 641 N HA 0.240 4.979 4.740 -0.002 0.000 0.207 641 N C -0.304 175.252 175.510 0.077 0.000 1.206 641 N CA -0.113 52.979 53.050 0.071 0.000 0.832 641 N CB -0.140 38.434 38.487 0.145 0.000 1.037 641 N HN 0.434 nan 8.380 nan 0.000 0.467 642 I N 0.161 120.777 120.570 0.077 0.000 2.582 642 I HA 0.366 4.535 4.170 -0.002 0.000 0.292 642 I C -0.671 175.498 176.117 0.087 0.000 1.066 642 I CA -0.900 60.467 61.300 0.111 0.000 1.053 642 I CB 2.249 40.331 38.000 0.138 0.000 1.241 642 I HN -0.094 nan 8.210 nan 0.000 0.421 643 K N 4.325 124.765 120.400 0.068 0.000 2.542 643 K HA 0.453 4.772 4.320 -0.002 0.000 0.259 643 K C -1.548 174.994 176.600 -0.097 0.000 0.932 643 K CA -0.808 55.475 56.287 -0.006 0.000 0.820 643 K CB 1.712 34.216 32.500 0.007 0.000 1.345 643 K HN 0.755 nan 8.250 nan 0.000 0.432 644 H N 0.076 118.986 119.070 -0.267 0.000 2.589 644 H HA 0.810 5.364 4.556 -0.002 0.000 0.351 644 H C -1.498 173.711 175.328 -0.198 0.000 1.074 644 H CA -0.925 54.845 56.048 -0.463 0.000 1.203 644 H CB 1.765 30.937 29.762 -0.982 0.000 1.558 644 H HN 0.133 nan 8.280 nan 0.000 0.522 645 V N 4.930 124.824 119.914 -0.033 0.000 2.760 645 V HA 0.455 4.574 4.120 -0.002 0.000 0.309 645 V C -0.583 175.562 176.094 0.085 0.000 1.077 645 V CA -0.743 61.556 62.300 -0.002 0.000 0.910 645 V CB 1.998 33.822 31.823 0.001 0.000 1.008 645 V HN 0.969 nan 8.190 nan 0.000 0.424 646 V N 7.747 127.711 119.914 0.084 0.000 2.530 646 V HA 0.770 4.889 4.120 -0.002 0.000 0.282 646 V C -0.140 175.992 176.094 0.063 0.000 1.048 646 V CA 0.483 62.841 62.300 0.098 0.000 0.997 646 V CB 1.330 33.204 31.823 0.085 0.000 0.987 646 V HN 1.097 nan 8.190 nan 0.000 0.477 647 V N 2.858 122.818 119.914 0.076 0.000 3.267 647 V HA 0.759 4.877 4.120 -0.002 0.000 0.317 647 V C -0.248 175.861 176.094 0.025 0.000 1.131 647 V CA -1.019 61.304 62.300 0.039 0.000 1.031 647 V CB 1.651 33.490 31.823 0.027 0.000 1.159 647 V HN 1.179 nan 8.190 nan 0.000 0.454 648 K N 0.663 121.060 120.400 -0.005 0.000 2.535 648 K HA 0.649 4.968 4.320 -0.002 0.000 0.251 648 K C -1.979 174.611 176.600 -0.016 0.000 0.942 648 K CA -0.670 55.602 56.287 -0.025 0.000 0.798 648 K CB 2.188 34.663 32.500 -0.042 0.000 1.267 648 K HN 0.830 nan 8.250 nan 0.000 0.434 649 I N 4.166 124.759 120.570 0.039 0.000 2.474 649 I HA 0.400 4.569 4.170 -0.002 0.000 0.294 649 I C -0.616 175.510 176.117 0.014 0.000 1.005 649 I CA -1.216 60.102 61.300 0.030 0.000 1.113 649 I CB 2.018 40.096 38.000 0.131 0.000 1.289 649 I HN 0.252 nan 8.210 nan 0.000 0.436 650 V N 4.050 123.948 119.914 -0.027 0.000 2.680 650 V HA 0.352 4.471 4.120 -0.002 0.000 0.309 650 V C -0.869 175.226 176.094 0.001 0.000 1.052 650 V CA -0.814 61.486 62.300 0.001 0.000 0.908 650 V CB 1.876 33.696 31.823 -0.005 0.000 1.001 650 V HN 0.620 nan 8.190 nan 0.000 0.431 651 H N 2.276 121.321 119.070 -0.042 0.000 2.595 651 H HA 0.463 5.018 4.556 -0.002 0.000 0.313 651 H C -0.293 175.104 175.328 0.115 0.000 1.023 651 H CA -0.448 55.580 56.048 -0.035 0.000 1.218 651 H CB 0.384 30.118 29.762 -0.047 0.000 1.403 651 H HN 0.771 nan 8.280 nan 0.000 0.477 652 H N 5.009 123.967 119.070 -0.187 0.000 2.742 652 H HA 0.095 4.650 4.556 -0.002 0.000 0.302 652 H C 0.049 175.137 175.328 -0.401 0.000 1.069 652 H CA -0.704 55.227 56.048 -0.195 0.000 1.446 652 H CB 1.167 30.910 29.762 -0.031 0.000 1.462 652 H HN 0.384 nan 8.280 nan 0.000 0.499 653 L N 0.000 121.126 121.223 -0.161 0.000 2.949 653 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 653 L CA 0.000 54.762 54.840 -0.130 0.000 0.813 653 L CB 0.000 42.025 42.059 -0.057 0.000 0.961 653 L HN 0.000 nan 8.230 nan 0.000 0.502