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 3oh3_1_A DATA FIRST_RESID 3 DATA SEQUENCE NPSNSNLQAL REELCTPGLD QGHLFEGWPE TVDECNERQI ALLTDLYMFS DATA SEQUENCE NMYPGGVAQY IRNGHELLAR ESEEVDFAAL EMPPLIFEAP SLHRRTAERT DATA SEQUENCE ALENAGTAML CKTVFVLVAG GLGERLGYSS IKVSLPVETA TNTTYLAYYL DATA SEQUENCE RWAQRVGGKE VPFVIMTSDD THDRTLQLLR ELQLEVPNLH VLKQGQVFCF DATA SEQUENCE ADSAAHLALD ETGKLLRKPH GHGDVHSLIY NATVXXXXXX XXXXXXXXAQ DATA SEQUENCE PLVNDWLAAG YESIVFIQDT NAGATITIPI SLALSAEHSL DMNFTCIPRV DATA SEQUENCE PKEPIGLLCR TKKNSGDPWL VANVEYNVFA EVSRALNKDX XXXXXXXXGF DATA SEQUENCE SPFPGSVNTL VFKLSSYVDR LRESHGIVPE FINPKYSDET RRSFKKPARI DATA SEQUENCE ESLMQDIALL FSEDDYRVGG TVFERFSYQP VKNSLEEAAG LVAQGNGAYC DATA SEQUENCE AATGEAAFYE LQRRRLKAIG LPLFYSSQPE VTVAKDAFGV RLFPIIVLDT DATA SEQUENCE VCASSGSLDD LARVFPTPEK VHIDQHSTLI VEGRVIIESL ELYGALTIRG DATA SEQUENCE PTDSMALPHV VRNAVVRNAG WSVHAILSLC AGRDSRLSEV DRIRGFVLKK DATA SEQUENCE TAMAVMDC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.497 175.510 -0.022 0.000 1.280 3 N CA 0.000 53.066 53.050 0.026 0.000 0.885 3 N CB 0.000 38.528 38.487 0.068 0.000 1.341 4 P HA 0.020 nan 4.420 nan 0.000 0.263 4 P C -0.205 176.952 177.300 -0.238 0.000 1.175 4 P CA 0.663 63.567 63.100 -0.326 0.000 0.761 4 P CB 0.768 32.026 31.700 -0.737 0.000 0.794 5 S N 2.093 117.670 115.700 -0.205 0.000 2.592 5 S HA 0.054 4.554 4.470 0.050 0.000 0.271 5 S C 1.237 175.758 174.600 -0.132 0.000 1.326 5 S CA -0.391 57.737 58.200 -0.120 0.000 1.024 5 S CB 0.568 63.727 63.200 -0.068 0.000 0.921 5 S HN 0.322 nan 8.310 nan 0.000 0.527 6 N N 1.706 120.359 118.700 -0.079 0.000 2.272 6 N HA -0.096 4.674 4.740 0.050 0.000 0.185 6 N C 1.757 177.237 175.510 -0.050 0.000 1.014 6 N CA 1.483 54.498 53.050 -0.058 0.000 0.870 6 N CB -0.486 37.981 38.487 -0.034 0.000 0.975 6 N HN 0.650 nan 8.380 nan 0.000 0.433 7 S N -0.126 115.547 115.700 -0.046 0.000 2.395 7 S HA 0.062 4.562 4.470 0.050 0.000 0.225 7 S C 1.551 176.138 174.600 -0.021 0.000 1.027 7 S CA 0.612 58.797 58.200 -0.026 0.000 0.965 7 S CB -0.078 63.114 63.200 -0.014 0.000 0.812 7 S HN 0.316 nan 8.310 nan 0.000 0.482 8 N N 1.560 120.230 118.700 -0.050 0.000 2.270 8 N HA 0.080 4.850 4.740 0.050 0.000 0.181 8 N C 1.689 177.193 175.510 -0.011 0.000 1.016 8 N CA 0.714 53.756 53.050 -0.013 0.000 0.870 8 N CB -0.407 38.048 38.487 -0.053 0.000 0.979 8 N HN 0.403 nan 8.380 nan 0.000 0.431 9 L N 0.629 121.784 121.223 -0.113 0.000 2.093 9 L HA -0.146 4.224 4.340 0.050 0.000 0.208 9 L C 2.464 179.347 176.870 0.021 0.000 1.085 9 L CA 1.034 55.855 54.840 -0.030 0.000 0.755 9 L CB -0.368 41.662 42.059 -0.048 0.000 0.904 9 L HN 0.124 nan 8.230 nan 0.000 0.435 10 Q N 0.452 120.249 119.800 -0.006 0.000 2.119 10 Q HA -0.127 4.243 4.340 0.050 0.000 0.201 10 Q C 2.179 178.160 176.000 -0.031 0.000 0.972 10 Q CA 1.911 57.699 55.803 -0.025 0.000 0.847 10 Q CB -0.168 28.558 28.738 -0.020 0.000 0.903 10 Q HN 0.413 nan 8.270 nan 0.000 0.433 11 A N 0.047 122.872 122.820 0.008 0.000 1.902 11 A HA -0.124 4.226 4.320 0.050 0.000 0.217 11 A C 1.976 179.582 177.584 0.036 0.000 1.181 11 A CA 1.464 53.516 52.037 0.024 0.000 0.623 11 A CB -0.816 18.217 19.000 0.055 0.000 0.818 11 A HN 0.465 nan 8.150 nan 0.000 0.443 12 L N 0.036 121.313 121.223 0.089 0.000 2.056 12 L HA -0.087 4.283 4.340 0.050 0.000 0.207 12 L C 2.447 179.332 176.870 0.026 0.000 1.078 12 L CA 2.373 57.282 54.840 0.115 0.000 0.749 12 L CB -0.685 41.523 42.059 0.250 0.000 0.901 12 L HN 0.500 nan 8.230 nan 0.000 0.433 13 R N -0.255 120.202 120.500 -0.072 0.000 2.096 13 R HA -0.224 4.146 4.340 0.050 0.000 0.240 13 R C 2.113 178.171 176.300 -0.403 0.000 1.139 13 R CA 2.214 58.075 56.100 -0.400 0.000 0.952 13 R CB -0.341 29.621 30.300 -0.562 0.000 0.854 13 R HN 0.539 nan 8.270 nan 0.000 0.436 14 E N 0.025 120.086 120.200 -0.232 0.000 2.106 14 E HA -0.222 4.158 4.350 0.050 0.000 0.192 14 E C 1.970 178.522 176.600 -0.081 0.000 0.984 14 E CA 1.329 57.634 56.400 -0.159 0.000 0.806 14 E CB -0.086 29.556 29.700 -0.097 0.000 0.750 14 E HN 0.497 nan 8.360 nan 0.000 0.458 15 E N 1.029 121.208 120.200 -0.035 0.000 2.077 15 E HA -0.196 4.184 4.350 0.050 0.000 0.193 15 E C 1.928 178.545 176.600 0.030 0.000 0.989 15 E CA 0.795 57.202 56.400 0.011 0.000 0.800 15 E CB -0.014 29.710 29.700 0.040 0.000 0.746 15 E HN 0.245 nan 8.360 nan 0.000 0.452 16 L N 0.206 121.452 121.223 0.038 0.000 2.551 16 L HA -0.100 4.270 4.340 0.050 0.000 0.228 16 L C 1.913 178.839 176.870 0.094 0.000 1.153 16 L CA 0.082 54.978 54.840 0.093 0.000 0.851 16 L CB 0.035 42.194 42.059 0.166 0.000 0.959 16 L HN 0.336 nan 8.230 nan 0.000 0.451 17 C N -0.802 118.517 119.300 0.031 0.000 2.791 17 C HA 0.078 4.568 4.460 0.050 0.000 0.270 17 C C 1.685 176.693 174.990 0.031 0.000 1.257 17 C CA -0.208 58.828 59.018 0.029 0.000 1.699 17 C CB -0.936 26.778 27.740 -0.043 0.000 1.904 17 C HN 0.503 nan 8.230 nan 0.000 0.603 18 T N -0.386 114.187 114.554 0.032 0.000 2.904 18 T HA 0.311 4.691 4.350 0.050 0.000 0.290 18 T C -2.861 171.863 174.700 0.040 0.000 1.018 18 T CA -1.475 60.642 62.100 0.028 0.000 1.075 18 T CB 0.472 69.353 68.868 0.023 0.000 0.986 18 T HN -0.063 nan 8.240 nan 0.000 0.523 19 P HA 0.224 nan 4.420 nan 0.000 0.262 19 P C 1.170 178.479 177.300 0.015 0.000 1.182 19 P CA 1.373 64.484 63.100 0.018 0.000 0.761 19 P CB 0.079 31.780 31.700 0.003 0.000 0.795 20 G N 1.954 110.756 108.800 0.003 0.000 2.258 20 G HA2 -0.258 3.732 3.960 0.050 0.000 0.233 20 G HA3 -0.258 3.732 3.960 0.050 0.000 0.233 20 G C 0.593 175.567 174.900 0.122 0.000 1.006 20 G CA 0.224 45.316 45.100 -0.014 0.000 0.620 20 G HN 0.476 nan 8.290 nan 0.000 0.511 21 L N -0.754 120.544 121.223 0.126 0.000 2.519 21 L HA 0.314 4.684 4.340 0.050 0.000 0.194 21 L C 0.731 177.699 176.870 0.165 0.000 1.072 21 L CA 0.489 55.424 54.840 0.159 0.000 0.845 21 L CB -0.069 42.062 42.059 0.121 0.000 1.138 21 L HN 0.111 nan 8.230 nan 0.000 0.487 22 D N 1.677 122.165 120.400 0.147 0.000 2.697 22 D HA -0.167 4.503 4.640 0.050 0.000 0.235 22 D C 0.159 176.628 176.300 0.281 0.000 1.167 22 D CA 0.504 54.622 54.000 0.197 0.000 0.656 22 D CB -0.473 40.466 40.800 0.232 0.000 1.025 22 D HN 0.386 nan 8.370 nan 0.000 0.419 23 Q N -0.863 119.039 119.800 0.171 0.000 2.237 23 Q HA 0.227 4.597 4.340 0.050 0.000 0.252 23 Q C 1.868 177.797 176.000 -0.118 0.000 0.877 23 Q CA 0.274 56.091 55.803 0.025 0.000 1.011 23 Q CB 0.665 29.376 28.738 -0.046 0.000 1.118 23 Q HN 0.473 nan 8.270 nan 0.000 0.458 24 G N 1.355 110.177 108.800 0.036 0.000 2.450 24 G HA2 -0.288 3.702 3.960 0.050 0.000 0.220 24 G HA3 -0.288 3.702 3.960 0.050 0.000 0.220 24 G C 1.269 176.104 174.900 -0.109 0.000 1.130 24 G CA 1.019 46.143 45.100 0.041 0.000 0.760 24 G HN 0.609 nan 8.290 nan 0.000 0.557 25 H N 0.362 119.349 119.070 -0.139 0.000 2.518 25 H HA 0.064 4.650 4.556 0.050 0.000 0.292 25 H C 2.178 177.325 175.328 -0.302 0.000 1.068 25 H CA 0.836 56.766 56.048 -0.196 0.000 1.275 25 H CB -0.457 29.177 29.762 -0.214 0.000 1.375 25 H HN 0.357 nan 8.280 nan 0.000 0.563 26 L N -0.156 120.463 121.223 -1.006 0.000 2.156 26 L HA -0.046 4.324 4.340 0.050 0.000 0.208 26 L C 1.095 177.175 176.870 -1.316 0.000 1.095 26 L CA 0.899 55.047 54.840 -1.153 0.000 0.770 26 L CB -0.265 40.851 42.059 -1.573 0.000 0.914 26 L HN 0.125 nan 8.230 nan 0.000 0.439 27 F N -0.384 119.037 119.950 -0.882 0.000 2.837 27 F HA 0.192 4.750 4.527 0.050 0.000 0.298 27 F C 0.827 176.148 175.800 -0.799 0.000 1.161 27 F CA -0.801 56.262 58.000 -1.562 0.000 1.353 27 F CB -0.394 37.891 39.000 -1.193 0.000 0.951 27 F HN -0.072 nan 8.300 nan 0.000 0.508 28 E N 1.542 121.568 120.200 -0.290 0.000 2.341 28 E HA 0.320 4.700 4.350 0.050 0.000 0.256 28 E C 1.142 177.864 176.600 0.204 0.000 1.125 28 E CA 0.833 57.227 56.400 -0.010 0.000 0.939 28 E CB -0.214 29.493 29.700 0.012 0.000 0.991 28 E HN 0.571 nan 8.360 nan 0.000 0.458 29 G N 3.736 112.669 108.800 0.220 0.000 2.204 29 G HA2 -0.226 3.764 3.960 0.050 0.000 0.244 29 G HA3 -0.226 3.764 3.960 0.050 0.000 0.244 29 G C -0.759 174.409 174.900 0.447 0.000 1.062 29 G CA -0.135 45.130 45.100 0.275 0.000 0.798 29 G HN 0.361 nan 8.290 nan 0.000 0.496 30 W N -0.384 120.951 121.300 0.058 0.000 2.509 30 W HA 0.666 5.356 4.660 0.050 0.000 0.351 30 W C -1.453 175.084 176.519 0.030 0.000 1.107 30 W CA -2.634 54.745 57.345 0.056 0.000 1.264 30 W CB -0.203 29.319 29.460 0.104 0.000 1.312 30 W HN 0.065 nan 8.180 nan 0.000 0.608 31 P HA 0.048 nan 4.420 nan 0.000 0.272 31 P C 0.535 177.910 177.300 0.124 0.000 1.254 31 P CA -0.021 63.147 63.100 0.114 0.000 0.795 31 P CB 0.840 32.570 31.700 0.050 0.000 1.022 32 E N -1.055 119.186 120.200 0.068 0.000 2.385 32 E HA 0.013 4.393 4.350 0.050 0.000 0.194 32 E C 0.533 177.151 176.600 0.031 0.000 1.013 32 E CA 0.767 57.194 56.400 0.044 0.000 0.866 32 E CB -0.023 29.692 29.700 0.025 0.000 0.832 32 E HN 0.614 nan 8.360 nan 0.000 0.500 33 T N -3.165 111.409 114.554 0.035 0.000 2.888 33 T HA 0.317 4.697 4.350 0.050 0.000 0.288 33 T C 1.168 175.888 174.700 0.033 0.000 1.063 33 T CA -0.788 61.325 62.100 0.023 0.000 1.010 33 T CB 1.788 70.661 68.868 0.008 0.000 1.214 33 T HN -0.228 nan 8.240 nan 0.000 0.533 34 V N 1.092 121.019 119.914 0.022 0.000 2.358 34 V HA -0.087 4.063 4.120 0.050 0.000 0.246 34 V C 2.287 178.381 176.094 -0.000 0.000 1.047 34 V CA 2.043 64.357 62.300 0.023 0.000 1.035 34 V CB -0.938 30.891 31.823 0.010 0.000 0.658 34 V HN 0.870 nan 8.190 nan 0.000 0.452 35 D N 0.495 120.892 120.400 -0.006 0.000 2.123 35 D HA -0.193 4.477 4.640 0.050 0.000 0.196 35 D C 2.094 178.382 176.300 -0.020 0.000 0.992 35 D CA 1.433 55.425 54.000 -0.014 0.000 0.833 35 D CB -0.329 40.464 40.800 -0.012 0.000 0.954 35 D HN 0.577 nan 8.370 nan 0.000 0.455 36 E N -0.327 119.865 120.200 -0.013 0.000 2.338 36 E HA -0.033 4.347 4.350 0.050 0.000 0.197 36 E C 0.378 176.952 176.600 -0.043 0.000 1.007 36 E CA 0.115 56.503 56.400 -0.019 0.000 0.849 36 E CB 0.031 29.730 29.700 -0.002 0.000 0.774 36 E HN 0.208 nan 8.360 nan 0.000 0.506 37 C N 2.781 122.049 119.300 -0.053 0.000 2.605 37 C HA 0.097 4.587 4.460 0.050 0.000 0.404 37 C C 0.978 175.881 174.990 -0.145 0.000 1.284 37 C CA -1.262 57.680 59.018 -0.127 0.000 2.199 37 C CB -0.352 27.317 27.740 -0.119 0.000 2.647 37 C HN 0.473 nan 8.230 nan 0.000 0.604 38 N N 1.524 120.096 118.700 -0.213 0.000 2.381 38 N HA 0.107 4.877 4.740 0.050 0.000 0.289 38 N C 0.863 176.279 175.510 -0.158 0.000 1.288 38 N CA -0.166 52.783 53.050 -0.167 0.000 0.960 38 N CB 0.039 38.422 38.487 -0.173 0.000 1.116 38 N HN 0.773 nan 8.380 nan 0.000 0.557 39 E N -0.787 119.342 120.200 -0.118 0.000 2.112 39 E HA -0.068 4.312 4.350 0.050 0.000 0.190 39 E C 1.611 178.155 176.600 -0.094 0.000 0.979 39 E CA 0.331 56.679 56.400 -0.087 0.000 0.814 39 E CB -0.126 29.539 29.700 -0.058 0.000 0.762 39 E HN 0.423 nan 8.360 nan 0.000 0.460 40 R N 1.062 121.490 120.500 -0.120 0.000 2.088 40 R HA -0.163 4.207 4.340 0.050 0.000 0.232 40 R C 2.573 178.783 176.300 -0.150 0.000 1.136 40 R CA 2.301 58.335 56.100 -0.111 0.000 0.926 40 R CB -0.456 29.772 30.300 -0.120 0.000 0.837 40 R HN 0.341 nan 8.270 nan 0.000 0.429 41 Q N 0.238 119.822 119.800 -0.360 0.000 2.045 41 Q HA -0.181 4.189 4.340 0.050 0.000 0.206 41 Q C 2.136 178.022 176.000 -0.189 0.000 0.991 41 Q CA 1.377 56.773 55.803 -0.678 0.000 0.851 41 Q CB -0.213 27.677 28.738 -1.414 0.000 0.911 41 Q HN 0.285 nan 8.270 nan 0.000 0.418 42 I N 0.692 121.181 120.570 -0.135 0.000 2.423 42 I HA -0.236 3.964 4.170 0.050 0.000 0.254 42 I C 2.216 178.360 176.117 0.045 0.000 1.151 42 I CA 1.319 62.617 61.300 -0.004 0.000 1.421 42 I CB -1.506 36.475 38.000 -0.032 0.000 1.079 42 I HN 0.179 nan 8.210 nan 0.000 0.431 43 A N 0.424 123.257 122.820 0.023 0.000 1.929 43 A HA -0.125 4.225 4.320 0.050 0.000 0.216 43 A C 2.407 180.049 177.584 0.095 0.000 1.176 43 A CA 0.920 52.986 52.037 0.049 0.000 0.628 43 A CB -0.670 18.343 19.000 0.022 0.000 0.816 43 A HN 0.410 nan 8.150 nan 0.000 0.444 44 L N -0.844 120.457 121.223 0.129 0.000 2.093 44 L HA -0.032 4.338 4.340 0.050 0.000 0.208 44 L C 2.341 179.324 176.870 0.188 0.000 1.085 44 L CA 1.114 56.047 54.840 0.156 0.000 0.755 44 L CB -0.139 42.054 42.059 0.223 0.000 0.904 44 L HN 0.408 nan 8.230 nan 0.000 0.435 45 L N -0.937 120.460 121.223 0.290 0.000 2.093 45 L HA -0.195 4.175 4.340 0.050 0.000 0.208 45 L C 2.413 179.424 176.870 0.235 0.000 1.085 45 L CA 1.667 56.688 54.840 0.301 0.000 0.755 45 L CB -0.373 41.901 42.059 0.357 0.000 0.904 45 L HN 0.300 nan 8.230 nan 0.000 0.435 46 T N -1.171 113.491 114.554 0.180 0.000 2.746 46 T HA -0.228 4.152 4.350 0.050 0.000 0.267 46 T C 1.430 176.269 174.700 0.231 0.000 1.039 46 T CA 1.637 63.841 62.100 0.173 0.000 1.142 46 T CB -0.228 68.702 68.868 0.104 0.000 0.866 46 T HN 0.356 nan 8.240 nan 0.000 0.444 47 D N 0.942 121.459 120.400 0.194 0.000 2.117 47 D HA -0.049 4.621 4.640 0.050 0.000 0.197 47 D C 2.039 178.522 176.300 0.305 0.000 0.987 47 D CA 0.935 55.066 54.000 0.219 0.000 0.829 47 D CB -0.369 40.532 40.800 0.167 0.000 0.961 47 D HN 0.308 nan 8.370 nan 0.000 0.460 48 L N -0.717 120.635 121.223 0.214 0.000 2.046 48 L HA -0.171 4.198 4.340 0.050 0.000 0.208 48 L C 2.370 179.430 176.870 0.316 0.000 1.077 48 L CA 1.151 56.103 54.840 0.186 0.000 0.747 48 L CB -0.579 41.520 42.059 0.066 0.000 0.896 48 L HN 0.141 nan 8.230 nan 0.000 0.432 49 Y N -0.068 120.344 120.300 0.187 0.000 2.145 49 Y HA -0.252 4.328 4.550 0.050 0.000 0.286 49 Y C 2.570 178.580 175.900 0.183 0.000 1.145 49 Y CA 1.495 59.697 58.100 0.169 0.000 1.148 49 Y CB 0.054 38.589 38.460 0.124 0.000 0.981 49 Y HN 0.048 nan 8.280 nan 0.000 0.507 50 M N -0.836 118.966 119.600 0.336 0.000 2.549 50 M HA -0.166 4.344 4.480 0.050 0.000 0.260 50 M C 1.910 178.307 176.300 0.163 0.000 1.076 50 M CA 0.962 56.395 55.300 0.223 0.000 1.090 50 M CB -1.571 31.158 32.600 0.215 0.000 1.418 50 M HN 0.423 nan 8.290 nan 0.000 0.486 51 F N 0.911 120.889 119.950 0.047 0.000 2.333 51 F HA -0.201 4.356 4.527 0.050 0.000 0.300 51 F C 2.209 177.999 175.800 -0.017 0.000 1.083 51 F CA 0.851 58.841 58.000 -0.017 0.000 1.395 51 F CB 0.177 39.212 39.000 0.058 0.000 1.056 51 F HN 0.103 nan 8.300 nan 0.000 0.529 52 S N 0.576 116.258 115.700 -0.031 0.000 2.383 52 S HA -0.269 4.231 4.470 0.050 0.000 0.229 52 S C 1.272 175.784 174.600 -0.146 0.000 1.030 52 S CA 1.676 59.807 58.200 -0.115 0.000 1.002 52 S CB -0.753 62.349 63.200 -0.163 0.000 0.829 52 S HN 0.688 nan 8.310 nan 0.000 0.467 53 N N 0.071 118.701 118.700 -0.117 0.000 2.449 53 N HA 0.151 4.921 4.740 0.050 0.000 0.191 53 N C 1.098 176.521 175.510 -0.145 0.000 1.161 53 N CA 0.332 53.324 53.050 -0.098 0.000 0.863 53 N CB 0.009 38.470 38.487 -0.043 0.000 0.980 53 N HN 0.320 nan 8.380 nan 0.000 0.458 54 M N -1.528 117.912 119.600 -0.267 0.000 2.379 54 M HA 0.248 4.758 4.480 0.050 0.000 0.268 54 M C -0.889 175.156 176.300 -0.425 0.000 1.185 54 M CA 0.037 55.130 55.300 -0.344 0.000 1.121 54 M CB 0.826 33.161 32.600 -0.442 0.000 1.608 54 M HN 0.175 nan 8.290 nan 0.000 0.569 55 Y N 1.098 120.971 120.300 -0.712 0.000 2.470 55 Y HA 0.433 5.012 4.550 0.050 0.000 0.341 55 Y C -2.587 173.128 175.900 -0.309 0.000 1.021 55 Y CA -2.295 55.444 58.100 -0.601 0.000 1.025 55 Y CB 1.619 39.476 38.460 -1.006 0.000 1.266 55 Y HN -0.088 nan 8.280 nan 0.000 0.448 56 P HA 0.189 nan 4.420 nan 0.000 0.260 56 P C 0.391 177.623 177.300 -0.113 0.000 1.207 56 P CA 1.948 64.853 63.100 -0.326 0.000 0.780 56 P CB 0.382 31.843 31.700 -0.398 0.000 0.789 57 G N 2.793 111.583 108.800 -0.017 0.000 2.157 57 G HA2 -0.009 3.981 3.960 0.050 0.000 0.248 57 G HA3 -0.009 3.981 3.960 0.050 0.000 0.248 57 G C 0.645 175.638 174.900 0.155 0.000 0.979 57 G CA 0.205 45.347 45.100 0.070 0.000 0.650 57 G HN 0.938 nan 8.290 nan 0.000 0.529 58 G N -1.561 107.338 108.800 0.165 0.000 2.601 58 G HA2 -0.042 3.947 3.960 0.050 0.000 0.261 58 G HA3 -0.042 3.947 3.960 0.050 0.000 0.261 58 G C 1.235 176.431 174.900 0.494 0.000 1.289 58 G CA 1.676 46.919 45.100 0.240 0.000 0.920 58 G HN 1.672 nan 8.290 nan 0.000 0.571 59 V N 0.689 120.913 119.914 0.516 0.000 2.667 59 V HA 0.200 4.350 4.120 0.050 0.000 0.252 59 V C 3.120 179.419 176.094 0.342 0.000 1.065 59 V CA 2.985 65.569 62.300 0.474 0.000 1.083 59 V CB -0.917 31.077 31.823 0.284 0.000 0.692 59 V HN 1.877 nan 8.190 nan 0.000 0.468 60 A N -0.543 122.431 122.820 0.256 0.000 1.902 60 A HA -0.261 4.089 4.320 0.050 0.000 0.217 60 A C 2.120 179.836 177.584 0.220 0.000 1.181 60 A CA 2.076 54.232 52.037 0.198 0.000 0.623 60 A CB -0.603 18.483 19.000 0.144 0.000 0.818 60 A HN 0.605 nan 8.150 nan 0.000 0.443 61 Q N -1.803 118.154 119.800 0.263 0.000 2.172 61 Q HA -0.131 4.239 4.340 0.050 0.000 0.200 61 Q C 1.724 177.937 176.000 0.355 0.000 0.964 61 Q CA 1.688 57.653 55.803 0.271 0.000 0.855 61 Q CB -0.585 28.308 28.738 0.258 0.000 0.918 61 Q HN 0.716 nan 8.270 nan 0.000 0.444 62 Y N -0.021 120.453 120.300 0.290 0.000 2.181 62 Y HA -0.184 4.396 4.550 0.050 0.000 0.288 62 Y C 1.637 177.658 175.900 0.202 0.000 1.146 62 Y CA 1.817 60.007 58.100 0.150 0.000 1.164 62 Y CB -0.076 38.381 38.460 -0.005 0.000 0.982 62 Y HN 0.151 nan 8.280 nan 0.000 0.515 63 I N -0.279 120.441 120.570 0.250 0.000 2.252 63 I HA -0.308 3.892 4.170 0.050 0.000 0.245 63 I C 2.457 178.462 176.117 -0.186 0.000 1.102 63 I CA 1.363 62.688 61.300 0.040 0.000 1.385 63 I CB -0.385 37.660 38.000 0.077 0.000 1.064 63 I HN 0.132 nan 8.210 nan 0.000 0.414 64 R N 0.781 121.297 120.500 0.026 0.000 2.091 64 R HA -0.169 4.201 4.340 0.050 0.000 0.238 64 R C 2.022 178.336 176.300 0.024 0.000 1.136 64 R CA 1.927 58.078 56.100 0.085 0.000 0.959 64 R CB -0.671 29.700 30.300 0.118 0.000 0.856 64 R HN 0.524 nan 8.270 nan 0.000 0.437 65 N N -0.305 118.408 118.700 0.022 0.000 2.166 65 N HA -0.134 4.636 4.740 0.050 0.000 0.186 65 N C 1.954 177.413 175.510 -0.085 0.000 1.019 65 N CA 0.825 53.882 53.050 0.011 0.000 0.856 65 N CB -0.231 38.306 38.487 0.084 0.000 0.993 65 N HN 0.302 nan 8.380 nan 0.000 0.426 66 G N 1.332 109.995 108.800 -0.228 0.000 2.446 66 G HA2 -0.274 3.716 3.960 0.050 0.000 0.217 66 G HA3 -0.274 3.716 3.960 0.050 0.000 0.217 66 G C 1.157 175.816 174.900 -0.402 0.000 1.168 66 G CA 0.858 45.687 45.100 -0.451 0.000 0.771 66 G HN 0.362 nan 8.290 nan 0.000 0.551 67 H N 0.303 119.209 119.070 -0.273 0.000 2.319 67 H HA -0.086 4.500 4.556 0.050 0.000 0.299 67 H C 2.396 177.656 175.328 -0.113 0.000 1.092 67 H CA 1.626 57.558 56.048 -0.194 0.000 1.302 67 H CB -0.362 29.316 29.762 -0.140 0.000 1.373 67 H HN 0.595 nan 8.280 nan 0.000 0.497 68 E N 0.697 120.926 120.200 0.047 0.000 2.077 68 E HA -0.114 4.265 4.350 0.050 0.000 0.193 68 E C 2.271 178.880 176.600 0.015 0.000 0.989 68 E CA 0.661 57.078 56.400 0.028 0.000 0.800 68 E CB -0.007 29.710 29.700 0.028 0.000 0.746 68 E HN 0.336 nan 8.360 nan 0.000 0.452 69 L N 0.431 121.656 121.223 0.003 0.000 2.072 69 L HA -0.127 4.243 4.340 0.050 0.000 0.205 69 L C 2.597 179.486 176.870 0.031 0.000 1.079 69 L CA 0.600 55.454 54.840 0.024 0.000 0.752 69 L CB -0.308 41.768 42.059 0.028 0.000 0.906 69 L HN 0.224 nan 8.230 nan 0.000 0.436 70 L N -0.230 120.995 121.223 0.003 0.000 2.083 70 L HA -0.202 4.168 4.340 0.050 0.000 0.209 70 L C 2.851 179.754 176.870 0.055 0.000 1.083 70 L CA 1.144 56.009 54.840 0.042 0.000 0.752 70 L CB -0.660 41.405 42.059 0.010 0.000 0.899 70 L HN 0.247 nan 8.230 nan 0.000 0.433 71 A N 0.046 122.884 122.820 0.030 0.000 1.898 71 A HA -0.230 4.120 4.320 0.050 0.000 0.216 71 A C 2.424 180.019 177.584 0.019 0.000 1.181 71 A CA 1.659 53.708 52.037 0.020 0.000 0.620 71 A CB -0.530 18.473 19.000 0.006 0.000 0.819 71 A HN 0.357 nan 8.150 nan 0.000 0.442 72 R N 0.423 120.935 120.500 0.019 0.000 2.073 72 R HA -0.208 4.162 4.340 0.050 0.000 0.234 72 R C 1.883 178.195 176.300 0.020 0.000 1.134 72 R CA 2.066 58.173 56.100 0.012 0.000 0.952 72 R CB -0.262 30.047 30.300 0.016 0.000 0.850 72 R HN 0.634 nan 8.270 nan 0.000 0.433 73 E N 0.066 120.296 120.200 0.049 0.000 2.502 73 E HA -0.065 4.315 4.350 0.050 0.000 0.194 73 E C 1.389 178.029 176.600 0.067 0.000 1.062 73 E CA 0.992 57.432 56.400 0.066 0.000 0.867 73 E CB 0.191 29.956 29.700 0.107 0.000 0.888 73 E HN 0.367 nan 8.360 nan 0.000 0.510 74 S N -0.508 115.224 115.700 0.054 0.000 2.470 74 S HA -0.020 4.480 4.470 0.050 0.000 0.225 74 S C 0.831 175.433 174.600 0.003 0.000 1.006 74 S CA -0.214 58.006 58.200 0.034 0.000 0.934 74 S CB -0.251 62.969 63.200 0.033 0.000 0.778 74 S HN 0.191 nan 8.310 nan 0.000 0.517 75 E N 1.734 121.932 120.200 -0.002 0.000 2.602 75 E HA 0.309 4.689 4.350 0.050 0.000 0.255 75 E C -0.595 175.990 176.600 -0.025 0.000 1.268 75 E CA -0.346 56.043 56.400 -0.019 0.000 1.007 75 E CB 0.280 29.964 29.700 -0.027 0.000 1.208 75 E HN 0.515 nan 8.360 nan 0.000 0.584 76 E N 0.816 120.994 120.200 -0.036 0.000 2.081 76 E HA 0.240 4.619 4.350 0.050 0.000 0.281 76 E C -0.417 176.143 176.600 -0.066 0.000 0.986 76 E CA -0.415 55.960 56.400 -0.042 0.000 0.796 76 E CB 1.763 31.441 29.700 -0.038 0.000 1.085 76 E HN 0.092 nan 8.360 nan 0.000 0.398 77 V N 3.200 123.070 119.914 -0.073 0.000 2.901 77 V HA 0.016 4.166 4.120 0.050 0.000 0.307 77 V C -0.408 175.602 176.094 -0.138 0.000 1.084 77 V CA 1.005 63.227 62.300 -0.130 0.000 1.184 77 V CB 1.145 32.899 31.823 -0.116 0.000 0.941 77 V HN 0.843 nan 8.190 nan 0.000 0.493 78 D N 3.465 123.712 120.400 -0.254 0.000 2.722 78 D HA 0.367 5.037 4.640 0.050 0.000 0.231 78 D C -1.515 174.589 176.300 -0.327 0.000 1.218 78 D CA -0.399 53.500 54.000 -0.168 0.000 0.753 78 D CB 0.916 41.668 40.800 -0.079 0.000 1.471 78 D HN 0.327 nan 8.370 nan 0.000 0.455 79 F N 1.165 121.094 119.950 -0.036 0.000 2.492 79 F HA 0.615 5.172 4.527 0.050 0.000 0.327 79 F C 1.513 177.281 175.800 -0.053 0.000 1.079 79 F CA -0.623 57.351 58.000 -0.042 0.000 0.967 79 F CB 1.958 40.942 39.000 -0.026 0.000 1.169 79 F HN 0.503 nan 8.300 nan 0.000 0.472 80 A N 2.124 124.994 122.820 0.085 0.000 1.969 80 A HA 0.414 4.763 4.320 0.050 0.000 0.218 80 A C 0.826 178.412 177.584 0.003 0.000 1.169 80 A CA 1.458 53.498 52.037 0.004 0.000 0.635 80 A CB -0.393 18.569 19.000 -0.063 0.000 0.810 80 A HN 0.794 nan 8.150 nan 0.000 0.445 81 A N -1.692 121.129 122.820 0.000 0.000 2.572 81 A HA 0.711 5.060 4.320 0.050 0.000 0.295 81 A C -1.223 176.416 177.584 0.091 0.000 1.072 81 A CA -0.330 51.700 52.037 -0.011 0.000 0.691 81 A CB 1.133 19.953 19.000 -0.300 0.000 1.291 81 A HN 0.871 nan 8.150 nan 0.000 0.404 82 L N 1.552 122.905 121.223 0.217 0.000 2.710 82 L HA 0.597 4.967 4.340 0.050 0.000 0.262 82 L C -0.771 176.179 176.870 0.134 0.000 0.940 82 L CA -0.038 54.866 54.840 0.106 0.000 0.944 82 L CB 1.451 43.503 42.059 -0.012 0.000 1.348 82 L HN 1.089 nan 8.230 nan 0.000 0.425 83 E N 3.831 124.010 120.200 -0.036 0.000 2.456 83 E HA 0.391 4.771 4.350 0.050 0.000 0.278 83 E C -1.196 175.204 176.600 -0.333 0.000 1.034 83 E CA -1.215 55.149 56.400 -0.060 0.000 0.846 83 E CB 1.575 31.251 29.700 -0.040 0.000 1.460 83 E HN 0.443 nan 8.360 nan 0.000 0.463 84 M N 1.618 121.204 119.600 -0.024 0.000 2.260 84 M HA 0.209 4.719 4.480 0.050 0.000 0.348 84 M C -2.360 173.790 176.300 -0.250 0.000 1.342 84 M CA -1.411 53.858 55.300 -0.052 0.000 1.040 84 M CB 0.332 32.972 32.600 0.066 0.000 1.810 84 M HN 0.282 nan 8.290 nan 0.000 0.453 85 P HA 0.113 nan 4.420 nan 0.000 0.268 85 P C -2.287 174.859 177.300 -0.255 0.000 1.204 85 P CA -0.837 62.100 63.100 -0.270 0.000 0.768 85 P CB 0.125 31.677 31.700 -0.247 0.000 0.842 86 P HA -0.073 nan 4.420 nan 0.000 0.215 86 P C 0.063 177.196 177.300 -0.278 0.000 1.157 86 P CA 1.357 64.312 63.100 -0.242 0.000 0.863 86 P CB 0.061 31.639 31.700 -0.203 0.000 0.787 87 L N 0.289 121.358 121.223 -0.257 0.000 2.352 87 L HA 0.249 4.619 4.340 0.050 0.000 0.272 87 L C -0.199 176.312 176.870 -0.599 0.000 1.109 87 L CA -0.366 54.240 54.840 -0.390 0.000 0.952 87 L CB -0.107 41.946 42.059 -0.009 0.000 1.314 87 L HN -0.076 nan 8.230 nan 0.000 0.427 88 I N 2.538 122.573 120.570 -0.891 0.000 2.433 88 I HA 0.478 4.678 4.170 0.050 0.000 0.292 88 I C -0.375 175.133 176.117 -1.014 0.000 1.001 88 I CA -0.483 60.401 61.300 -0.694 0.000 1.119 88 I CB 1.755 39.533 38.000 -0.370 0.000 1.289 88 I HN 0.189 nan 8.210 nan 0.000 0.438 89 F N 3.574 123.408 119.950 -0.194 0.000 2.556 89 F HA 0.408 4.964 4.527 0.049 0.000 0.314 89 F C 0.550 176.228 175.800 -0.203 0.000 1.106 89 F CA -0.848 57.023 58.000 -0.215 0.000 0.911 89 F CB 1.648 40.487 39.000 -0.269 0.000 1.190 89 F HN 0.270 nan 8.300 nan 0.000 0.448 90 E N 2.144 122.329 120.200 -0.025 0.000 2.167 90 E HA 0.482 4.862 4.350 0.050 0.000 0.284 90 E C -0.362 176.154 176.600 -0.141 0.000 1.016 90 E CA -0.456 55.879 56.400 -0.108 0.000 0.817 90 E CB 1.802 31.454 29.700 -0.081 0.000 1.080 90 E HN 0.678 nan 8.360 nan 0.000 0.397 91 A N 5.749 128.382 122.820 -0.312 0.000 2.388 91 A HA 0.380 4.730 4.320 0.050 0.000 0.257 91 A C -1.877 175.617 177.584 -0.151 0.000 1.095 91 A CA -1.095 50.742 52.037 -0.334 0.000 0.791 91 A CB -0.155 18.340 19.000 -0.843 0.000 1.029 91 A HN 0.356 nan 8.150 nan 0.000 0.489 92 P HA 0.118 nan 4.420 nan 0.000 0.274 92 P C 0.200 177.486 177.300 -0.022 0.000 1.237 92 P CA -0.230 62.846 63.100 -0.041 0.000 0.793 92 P CB 0.666 32.352 31.700 -0.023 0.000 0.977 93 S N 0.411 116.068 115.700 -0.071 0.000 2.558 93 S HA -0.020 4.480 4.470 0.050 0.000 0.287 93 S C 1.473 176.033 174.600 -0.067 0.000 1.321 93 S CA -0.499 57.626 58.200 -0.124 0.000 1.048 93 S CB -0.365 62.598 63.200 -0.395 0.000 0.844 93 S HN 0.405 nan 8.310 nan 0.000 0.512 94 L N 3.945 125.185 121.223 0.029 0.000 2.478 94 L HA 0.206 4.576 4.340 0.050 0.000 0.223 94 L C 1.572 178.495 176.870 0.090 0.000 1.140 94 L CA 1.335 56.236 54.840 0.102 0.000 0.842 94 L CB -0.781 41.389 42.059 0.185 0.000 0.953 94 L HN 0.895 nan 8.230 nan 0.000 0.452 95 H N -1.169 117.934 119.070 0.055 0.000 2.528 95 H HA 0.452 5.039 4.556 0.052 0.000 0.282 95 H C -0.387 174.945 175.328 0.006 0.000 1.097 95 H CA -0.577 55.482 56.048 0.019 0.000 1.121 95 H CB 0.261 30.016 29.762 -0.012 0.000 1.590 95 H HN 0.361 nan 8.280 nan 0.000 0.553 96 R N 1.459 121.877 120.500 -0.135 0.000 2.476 96 R HA 0.302 4.672 4.340 0.050 0.000 0.305 96 R C -0.414 175.870 176.300 -0.028 0.000 0.965 96 R CA -0.682 55.374 56.100 -0.072 0.000 0.867 96 R CB 2.244 32.462 30.300 -0.137 0.000 1.176 96 R HN 0.090 nan 8.270 nan 0.000 0.447 97 R N 2.639 123.139 120.500 0.001 0.000 4.138 97 R HA 0.060 4.430 4.340 0.050 0.000 0.206 97 R C -0.122 176.180 176.300 0.004 0.000 1.667 97 R CA -0.017 56.089 56.100 0.009 0.000 1.481 97 R CB -0.175 30.136 30.300 0.018 0.000 1.388 97 R HN 0.668 nan 8.270 nan 0.000 0.776 98 T N -2.278 112.274 114.554 -0.003 0.000 2.816 98 T HA 0.284 4.664 4.350 0.050 0.000 0.282 98 T C 1.556 176.257 174.700 0.003 0.000 0.993 98 T CA -0.289 61.809 62.100 -0.003 0.000 0.994 98 T CB 1.603 70.465 68.868 -0.010 0.000 1.025 98 T HN 0.292 nan 8.240 nan 0.000 0.529 99 A N -0.158 122.664 122.820 0.002 0.000 1.908 99 A HA -0.099 4.251 4.320 0.050 0.000 0.218 99 A C 2.308 179.894 177.584 0.004 0.000 1.181 99 A CA 1.876 53.915 52.037 0.004 0.000 0.627 99 A CB -1.131 17.870 19.000 0.002 0.000 0.818 99 A HN 1.030 nan 8.150 nan 0.000 0.445 100 E N -0.612 119.589 120.200 0.002 0.000 2.051 100 E HA -0.263 4.117 4.350 0.050 0.000 0.192 100 E C 2.274 178.879 176.600 0.008 0.000 0.991 100 E CA 1.402 57.803 56.400 0.002 0.000 0.799 100 E CB -0.091 29.610 29.700 0.000 0.000 0.748 100 E HN 0.451 nan 8.360 nan 0.000 0.449 101 R N 0.277 120.783 120.500 0.010 0.000 2.073 101 R HA -0.083 4.287 4.340 0.050 0.000 0.234 101 R C 2.264 178.582 176.300 0.030 0.000 1.134 101 R CA 2.338 58.451 56.100 0.023 0.000 0.952 101 R CB -0.949 29.361 30.300 0.017 0.000 0.850 101 R HN 0.114 nan 8.270 nan 0.000 0.433 102 T N 0.428 114.996 114.554 0.023 0.000 2.665 102 T HA -0.189 4.191 4.350 0.050 0.000 0.268 102 T C 1.764 176.478 174.700 0.022 0.000 1.035 102 T CA 1.710 63.825 62.100 0.025 0.000 1.151 102 T CB -0.590 68.289 68.868 0.019 0.000 0.862 102 T HN 0.467 nan 8.240 nan 0.000 0.438 103 A N 1.050 123.879 122.820 0.014 0.000 1.877 103 A HA 0.004 4.353 4.320 0.050 0.000 0.216 103 A C 2.336 179.926 177.584 0.011 0.000 1.186 103 A CA 1.253 53.294 52.037 0.007 0.000 0.620 103 A CB -0.819 18.179 19.000 -0.002 0.000 0.822 103 A HN 0.482 nan 8.150 nan 0.000 0.443 104 L N -0.847 120.387 121.223 0.018 0.000 2.027 104 L HA -0.188 4.182 4.340 0.050 0.000 0.206 104 L C 2.640 179.540 176.870 0.050 0.000 1.074 104 L CA 1.613 56.469 54.840 0.028 0.000 0.745 104 L CB -0.693 41.388 42.059 0.036 0.000 0.898 104 L HN 0.471 nan 8.230 nan 0.000 0.433 105 E N 0.319 120.555 120.200 0.061 0.000 2.077 105 E HA -0.209 4.171 4.350 0.050 0.000 0.193 105 E C 1.863 178.501 176.600 0.063 0.000 0.989 105 E CA 1.487 57.934 56.400 0.077 0.000 0.800 105 E CB -0.198 29.550 29.700 0.079 0.000 0.746 105 E HN 0.614 nan 8.360 nan 0.000 0.452 106 N N 0.485 119.210 118.700 0.042 0.000 2.171 106 N HA -0.083 4.687 4.740 0.050 0.000 0.184 106 N C 1.933 177.456 175.510 0.021 0.000 1.021 106 N CA 0.645 53.712 53.050 0.030 0.000 0.854 106 N CB -0.055 38.444 38.487 0.020 0.000 0.994 106 N HN 0.054 nan 8.380 nan 0.000 0.426 107 A N 1.102 123.931 122.820 0.016 0.000 1.898 107 A HA -0.006 4.344 4.320 0.050 0.000 0.216 107 A C 2.352 179.946 177.584 0.015 0.000 1.181 107 A CA 1.730 53.770 52.037 0.005 0.000 0.620 107 A CB -1.141 17.854 19.000 -0.008 0.000 0.819 107 A HN 0.379 nan 8.150 nan 0.000 0.442 108 G N -1.225 107.597 108.800 0.037 0.000 2.408 108 G HA2 -0.110 3.880 3.960 0.050 0.000 0.217 108 G HA3 -0.110 3.880 3.960 0.050 0.000 0.217 108 G C 1.544 176.484 174.900 0.066 0.000 1.150 108 G CA 1.582 46.717 45.100 0.059 0.000 0.776 108 G HN 0.423 nan 8.290 nan 0.000 0.542 109 T N 1.625 116.218 114.554 0.065 0.000 2.788 109 T HA 0.041 4.421 4.350 0.050 0.000 0.268 109 T C 2.806 177.515 174.700 0.014 0.000 1.044 109 T CA 1.361 63.492 62.100 0.053 0.000 1.139 109 T CB -0.297 68.602 68.868 0.052 0.000 0.867 109 T HN 0.361 nan 8.240 nan 0.000 0.454 110 A N 1.588 124.412 122.820 0.007 0.000 1.902 110 A HA -0.052 4.298 4.320 0.050 0.000 0.217 110 A C 2.284 179.856 177.584 -0.019 0.000 1.181 110 A CA 1.475 53.505 52.037 -0.012 0.000 0.623 110 A CB -0.681 18.311 19.000 -0.014 0.000 0.818 110 A HN 0.478 nan 8.150 nan 0.000 0.443 111 M N -0.563 119.031 119.600 -0.009 0.000 2.374 111 M HA -0.031 4.479 4.480 0.050 0.000 0.264 111 M C 1.753 178.039 176.300 -0.022 0.000 1.067 111 M CA 0.863 56.152 55.300 -0.019 0.000 1.103 111 M CB -0.442 32.153 32.600 -0.008 0.000 1.402 111 M HN 0.343 nan 8.290 nan 0.000 0.444 112 L N -0.890 120.335 121.223 0.003 0.000 2.265 112 L HA -0.207 4.163 4.340 0.050 0.000 0.215 112 L C 2.335 179.211 176.870 0.011 0.000 1.117 112 L CA 0.600 55.453 54.840 0.023 0.000 0.782 112 L CB -0.653 41.417 42.059 0.018 0.000 0.914 112 L HN 0.423 nan 8.230 nan 0.000 0.441 113 C N -0.166 119.120 119.300 -0.023 0.000 2.432 113 C HA -0.110 4.380 4.460 0.050 0.000 0.282 113 C C 1.897 176.843 174.990 -0.072 0.000 1.388 113 C CA 0.726 59.723 59.018 -0.034 0.000 1.777 113 C CB -0.861 26.842 27.740 -0.062 0.000 1.882 113 C HN 0.371 nan 8.230 nan 0.000 0.520 114 K N -0.079 120.267 120.400 -0.091 0.000 2.758 114 K HA 0.135 4.485 4.320 0.050 0.000 0.208 114 K C -0.402 176.225 176.600 0.044 0.000 1.091 114 K CA 0.089 56.273 56.287 -0.173 0.000 1.059 114 K CB 0.768 33.141 32.500 -0.211 0.000 0.801 114 K HN 0.264 nan 8.250 nan 0.000 0.470 115 T N 1.002 115.552 114.554 -0.007 0.000 2.797 115 T HA 0.292 4.672 4.350 0.050 0.000 0.279 115 T C -0.115 174.202 174.700 -0.638 0.000 0.991 115 T CA -0.490 61.402 62.100 -0.346 0.000 0.979 115 T CB 2.220 70.729 68.868 -0.598 0.000 0.943 115 T HN -0.178 nan 8.240 nan 0.000 0.444 116 V N 4.177 123.614 119.914 -0.795 0.000 2.509 116 V HA 0.477 4.627 4.120 0.050 0.000 0.284 116 V C -0.612 174.817 176.094 -1.109 0.000 1.047 116 V CA -0.566 61.104 62.300 -1.049 0.000 0.952 116 V CB 0.406 31.416 31.823 -1.356 0.000 0.988 116 V HN 0.735 nan 8.190 nan 0.000 0.469 117 F N 3.207 122.734 119.950 -0.705 0.000 2.469 117 F HA 0.707 5.265 4.527 0.050 0.000 0.332 117 F C -0.021 175.153 175.800 -1.043 0.000 1.103 117 F CA -0.825 56.686 58.000 -0.815 0.000 0.979 117 F CB 1.971 40.466 39.000 -0.841 0.000 1.137 117 F HN 0.141 nan 8.300 nan 0.000 0.463 118 V N 4.314 123.780 119.914 -0.746 0.000 2.525 118 V HA 0.391 4.541 4.120 0.050 0.000 0.299 118 V C -1.151 174.717 176.094 -0.377 0.000 1.034 118 V CA -0.689 61.236 62.300 -0.626 0.000 0.863 118 V CB 1.892 33.197 31.823 -0.864 0.000 0.999 118 V HN 0.542 nan 8.190 nan 0.000 0.423 119 L N 7.513 128.624 121.223 -0.186 0.000 2.280 119 L HA 0.705 5.075 4.340 0.050 0.000 0.287 119 L C -0.117 176.795 176.870 0.071 0.000 1.023 119 L CA -0.274 54.555 54.840 -0.019 0.000 0.819 119 L CB 1.740 43.911 42.059 0.188 0.000 1.212 119 L HN 0.591 nan 8.230 nan 0.000 0.420 120 V N 3.355 123.307 119.914 0.064 0.000 2.389 120 V HA 0.856 5.006 4.120 0.050 0.000 0.264 120 V C 0.450 176.603 176.094 0.098 0.000 1.049 120 V CA 0.202 62.562 62.300 0.099 0.000 0.932 120 V CB 0.469 32.353 31.823 0.102 0.000 1.011 120 V HN 1.034 nan 8.190 nan 0.000 0.475 121 A N 3.809 126.703 122.820 0.122 0.000 3.410 121 A HA 0.709 5.059 4.320 0.050 0.000 0.276 121 A C 0.848 178.505 177.584 0.120 0.000 0.995 121 A CA 0.129 52.238 52.037 0.121 0.000 0.934 121 A CB 0.245 19.331 19.000 0.143 0.000 1.191 121 A HN 1.310 nan 8.150 nan 0.000 0.511 122 G N -0.070 108.801 108.800 0.117 0.000 3.609 122 G HA2 0.473 4.463 3.960 0.050 0.000 0.280 122 G HA3 0.473 4.463 3.960 0.050 0.000 0.280 122 G C 0.418 175.376 174.900 0.096 0.000 1.155 122 G CA 0.415 45.582 45.100 0.112 0.000 0.876 122 G HN 0.974 nan 8.290 nan 0.000 0.535 123 G N -0.193 108.661 108.800 0.090 0.000 2.571 123 G HA2 0.576 4.566 3.960 0.050 0.000 0.304 123 G HA3 0.576 4.566 3.960 0.050 0.000 0.304 123 G C -0.671 174.273 174.900 0.075 0.000 1.314 123 G CA -0.743 44.404 45.100 0.079 0.000 0.975 123 G HN 0.164 nan 8.290 nan 0.000 0.485 124 L N 0.597 121.858 121.223 0.064 0.000 2.399 124 L HA 0.553 4.923 4.340 0.050 0.000 0.265 124 L C 1.372 178.293 176.870 0.085 0.000 1.089 124 L CA -0.784 54.094 54.840 0.063 0.000 0.802 124 L CB 1.750 43.825 42.059 0.027 0.000 1.180 124 L HN 0.671 nan 8.230 nan 0.000 0.454 125 G N -0.064 108.819 108.800 0.139 0.000 3.678 125 G HA2 0.129 4.119 3.960 0.050 0.000 0.287 125 G HA3 0.129 4.119 3.960 0.050 0.000 0.287 125 G C 0.716 175.704 174.900 0.146 0.000 1.280 125 G CA -0.258 44.947 45.100 0.174 0.000 1.118 125 G HN 0.792 nan 8.290 nan 0.000 0.563 126 E N 0.120 120.367 120.200 0.078 0.000 2.106 126 E HA -0.099 4.281 4.350 0.050 0.000 0.192 126 E C 2.433 179.068 176.600 0.059 0.000 0.984 126 E CA 0.216 56.648 56.400 0.053 0.000 0.806 126 E CB 0.053 29.768 29.700 0.025 0.000 0.750 126 E HN 0.219 nan 8.360 nan 0.000 0.458 127 R N 1.050 121.585 120.500 0.058 0.000 2.249 127 R HA -0.126 4.244 4.340 0.050 0.000 0.230 127 R C 1.800 178.133 176.300 0.055 0.000 1.121 127 R CA 0.830 56.961 56.100 0.053 0.000 0.997 127 R CB -0.138 30.193 30.300 0.052 0.000 0.867 127 R HN 0.258 nan 8.270 nan 0.000 0.465 128 L N -1.442 119.821 121.223 0.066 0.000 2.375 128 L HA 0.155 4.525 4.340 0.050 0.000 0.215 128 L C 1.262 178.172 176.870 0.067 0.000 1.108 128 L CA 0.768 55.644 54.840 0.060 0.000 0.830 128 L CB 0.138 42.230 42.059 0.055 0.000 0.959 128 L HN 0.429 nan 8.230 nan 0.000 0.457 129 G N -0.769 108.082 108.800 0.085 0.000 2.135 129 G HA2 -0.309 3.681 3.960 0.050 0.000 0.183 129 G HA3 -0.309 3.681 3.960 0.050 0.000 0.183 129 G C -0.289 174.696 174.900 0.142 0.000 1.004 129 G CA -0.507 44.642 45.100 0.081 0.000 0.677 129 G HN 0.265 nan 8.290 nan 0.000 0.512 130 Y N 1.474 121.768 120.300 -0.011 0.000 2.326 130 Y HA 0.478 5.059 4.550 0.051 0.000 0.331 130 Y C 1.281 177.178 175.900 -0.006 0.000 0.962 130 Y CA -0.155 57.937 58.100 -0.013 0.000 1.167 130 Y CB 1.692 40.142 38.460 -0.017 0.000 1.148 130 Y HN 0.315 nan 8.280 nan 0.000 0.463 131 S N 1.567 117.044 115.700 -0.372 0.000 2.593 131 S HA 0.081 4.581 4.470 0.050 0.000 0.217 131 S C 0.683 175.052 174.600 -0.385 0.000 0.966 131 S CA 0.026 58.057 58.200 -0.282 0.000 0.914 131 S CB 0.203 63.294 63.200 -0.181 0.000 0.776 131 S HN 0.420 nan 8.310 nan 0.000 0.523 132 S N 1.112 116.335 115.700 -0.794 0.000 2.768 132 S HA 0.669 5.169 4.470 0.050 0.000 0.300 132 S C 0.169 174.654 174.600 -0.192 0.000 1.122 132 S CA -1.143 56.757 58.200 -0.501 0.000 0.995 132 S CB 0.455 63.343 63.200 -0.520 0.000 1.195 132 S HN 0.518 nan 8.310 nan 0.000 0.547 133 I N 0.637 121.209 120.570 0.003 0.000 2.634 133 I HA 0.302 4.502 4.170 0.050 0.000 0.284 133 I C 0.919 177.178 176.117 0.237 0.000 1.124 133 I CA -0.330 61.036 61.300 0.109 0.000 1.417 133 I CB 0.589 38.639 38.000 0.082 0.000 1.396 133 I HN 0.655 nan 8.210 nan 0.000 0.571 134 K N 3.633 124.140 120.400 0.178 0.000 2.147 134 K HA -0.104 4.246 4.320 0.050 0.000 0.205 134 K C 1.791 178.445 176.600 0.089 0.000 1.049 134 K CA 1.719 58.083 56.287 0.127 0.000 0.936 134 K CB -0.255 32.266 32.500 0.034 0.000 0.722 134 K HN 0.845 nan 8.250 nan 0.000 0.446 135 V N -0.706 119.279 119.914 0.119 0.000 3.305 135 V HA -0.076 4.074 4.120 0.050 0.000 0.269 135 V C 1.751 177.936 176.094 0.152 0.000 1.157 135 V CA 1.619 64.012 62.300 0.154 0.000 1.157 135 V CB -0.352 31.580 31.823 0.182 0.000 0.772 135 V HN 0.227 nan 8.190 nan 0.000 0.498 136 S N -0.411 115.385 115.700 0.160 0.000 2.575 136 S HA 0.305 4.804 4.470 0.050 0.000 0.215 136 S C 0.633 175.298 174.600 0.107 0.000 0.966 136 S CA -0.284 58.002 58.200 0.144 0.000 0.911 136 S CB -0.673 62.634 63.200 0.179 0.000 0.780 136 S HN 0.570 nan 8.310 nan 0.000 0.514 137 L N 3.203 124.459 121.223 0.056 0.000 2.456 137 L HA 0.306 4.676 4.340 0.050 0.000 0.272 137 L C -2.116 174.710 176.870 -0.073 0.000 1.189 137 L CA -1.849 52.913 54.840 -0.130 0.000 0.846 137 L CB 0.312 42.287 42.059 -0.139 0.000 1.111 137 L HN 0.127 nan 8.230 nan 0.000 0.475 138 P HA 0.065 nan 4.420 nan 0.000 0.279 138 P C 0.681 177.664 177.300 -0.529 0.000 1.239 138 P CA -0.406 62.505 63.100 -0.314 0.000 0.789 138 P CB 1.498 33.055 31.700 -0.238 0.000 0.933 139 V N 1.426 120.787 119.914 -0.922 0.000 2.407 139 V HA -0.172 3.978 4.120 0.050 0.000 0.248 139 V C 0.912 176.477 176.094 -0.881 0.000 1.055 139 V CA 2.053 63.583 62.300 -1.283 0.000 1.049 139 V CB -1.240 29.553 31.823 -1.718 0.000 0.662 139 V HN 0.733 nan 8.190 nan 0.000 0.455 140 E N -2.197 117.603 120.200 -0.667 0.000 2.407 140 E HA 0.354 4.734 4.350 0.050 0.000 0.279 140 E C -0.002 176.496 176.600 -0.169 0.000 1.012 140 E CA 0.015 56.162 56.400 -0.421 0.000 0.800 140 E CB 0.945 30.343 29.700 -0.503 0.000 1.276 140 E HN 0.039 nan 8.360 nan 0.000 0.452 141 T N -2.186 112.370 114.554 0.004 0.000 3.086 141 T HA 0.349 4.729 4.350 0.050 0.000 0.250 141 T C 1.415 176.176 174.700 0.102 0.000 1.074 141 T CA 0.348 62.462 62.100 0.023 0.000 0.988 141 T CB 0.009 68.885 68.868 0.013 0.000 0.988 141 T HN 0.533 nan 8.240 nan 0.000 0.530 142 A N 2.611 125.588 122.820 0.262 0.000 1.877 142 A HA -0.035 4.314 4.320 0.050 0.000 0.216 142 A C 2.624 180.382 177.584 0.290 0.000 1.186 142 A CA 2.176 54.454 52.037 0.401 0.000 0.620 142 A CB -1.177 18.099 19.000 0.459 0.000 0.822 142 A HN 0.692 nan 8.150 nan 0.000 0.443 143 T N -5.441 109.212 114.554 0.164 0.000 2.990 143 T HA 0.168 4.548 4.350 0.050 0.000 0.250 143 T C 0.599 175.307 174.700 0.013 0.000 1.041 143 T CA 0.778 62.935 62.100 0.095 0.000 1.010 143 T CB -0.422 68.488 68.868 0.071 0.000 1.003 143 T HN 0.588 nan 8.240 nan 0.000 0.499 144 N N 0.666 119.344 118.700 -0.036 0.000 2.800 144 N HA -0.135 4.635 4.740 0.050 0.000 0.250 144 N C -0.894 174.541 175.510 -0.125 0.000 1.078 144 N CA 0.726 53.723 53.050 -0.087 0.000 0.804 144 N CB -1.934 36.522 38.487 -0.053 0.000 1.135 144 N HN 0.425 nan 8.380 nan 0.000 0.565 145 T N 1.386 115.849 114.554 -0.152 0.000 2.831 145 T HA 0.140 4.520 4.350 0.050 0.000 0.291 145 T C 1.094 175.632 174.700 -0.270 0.000 0.981 145 T CA 0.540 62.539 62.100 -0.169 0.000 1.174 145 T CB 0.382 69.159 68.868 -0.151 0.000 0.929 145 T HN 0.273 nan 8.240 nan 0.000 0.532 146 T N 1.849 116.292 114.554 -0.186 0.000 2.860 146 T HA 0.156 4.536 4.350 0.050 0.000 0.299 146 T C 1.011 175.550 174.700 -0.267 0.000 1.045 146 T CA -0.574 61.416 62.100 -0.184 0.000 1.071 146 T CB 0.386 69.219 68.868 -0.058 0.000 0.985 146 T HN 0.489 nan 8.240 nan 0.000 0.537 147 Y N 0.460 120.608 120.300 -0.254 0.000 2.207 147 Y HA -0.048 4.531 4.550 0.048 0.000 0.287 147 Y C 2.313 178.025 175.900 -0.312 0.000 1.156 147 Y CA 1.367 59.227 58.100 -0.400 0.000 1.182 147 Y CB -0.520 37.753 38.460 -0.312 0.000 0.979 147 Y HN 0.553 nan 8.280 nan 0.000 0.521 148 L N 0.097 121.357 121.223 0.061 0.000 1.989 148 L HA -0.188 4.182 4.340 0.050 0.000 0.211 148 L C 2.372 179.256 176.870 0.023 0.000 1.071 148 L CA 2.176 57.078 54.840 0.103 0.000 0.749 148 L CB -1.171 40.934 42.059 0.077 0.000 0.890 148 L HN 0.132 nan 8.230 nan 0.000 0.431 149 A N -1.682 121.122 122.820 -0.026 0.000 1.930 149 A HA -0.266 4.084 4.320 0.050 0.000 0.217 149 A C 2.293 179.860 177.584 -0.027 0.000 1.175 149 A CA 1.661 53.674 52.037 -0.040 0.000 0.627 149 A CB -1.188 17.786 19.000 -0.044 0.000 0.815 149 A HN 0.648 nan 8.150 nan 0.000 0.443 150 Y N -0.474 119.699 120.300 -0.211 0.000 2.097 150 Y HA -0.308 4.274 4.550 0.053 0.000 0.282 150 Y C 2.209 178.068 175.900 -0.069 0.000 1.152 150 Y CA 2.205 60.164 58.100 -0.234 0.000 1.136 150 Y CB -0.565 37.598 38.460 -0.495 0.000 0.975 150 Y HN 0.386 nan 8.280 nan 0.000 0.498 151 Y N -0.232 120.127 120.300 0.098 0.000 2.181 151 Y HA -0.220 4.360 4.550 0.051 0.000 0.288 151 Y C 2.488 178.403 175.900 0.025 0.000 1.146 151 Y CA 1.413 59.565 58.100 0.086 0.000 1.164 151 Y CB -1.068 37.543 38.460 0.253 0.000 0.982 151 Y HN 0.154 nan 8.280 nan 0.000 0.515 152 L N -0.696 120.537 121.223 0.016 0.000 2.072 152 L HA -0.171 4.199 4.340 0.050 0.000 0.205 152 L C 2.569 179.359 176.870 -0.133 0.000 1.079 152 L CA 1.186 55.879 54.840 -0.245 0.000 0.752 152 L CB -0.404 41.450 42.059 -0.341 0.000 0.906 152 L HN 0.107 nan 8.230 nan 0.000 0.436 153 R N -1.081 119.373 120.500 -0.076 0.000 2.092 153 R HA -0.217 4.153 4.340 0.050 0.000 0.231 153 R C 2.074 178.348 176.300 -0.043 0.000 1.119 153 R CA 1.795 57.858 56.100 -0.062 0.000 0.970 153 R CB -0.509 29.765 30.300 -0.044 0.000 0.864 153 R HN 0.413 nan 8.270 nan 0.000 0.440 154 W N 1.555 122.717 121.300 -0.230 0.000 2.355 154 W HA -0.170 4.521 4.660 0.052 0.000 0.309 154 W C 2.252 178.639 176.519 -0.220 0.000 1.206 154 W CA 1.862 59.065 57.345 -0.238 0.000 1.284 154 W CB -0.345 28.915 29.460 -0.334 0.000 1.145 154 W HN 0.080 nan 8.180 nan 0.000 0.502 155 A N 0.043 122.729 122.820 -0.223 0.000 1.902 155 A HA -0.268 4.081 4.320 0.050 0.000 0.217 155 A C 1.904 179.303 177.584 -0.309 0.000 1.181 155 A CA 1.967 53.687 52.037 -0.527 0.000 0.623 155 A CB -0.876 17.940 19.000 -0.306 0.000 0.818 155 A HN 0.558 nan 8.150 nan 0.000 0.443 156 Q N -1.397 118.293 119.800 -0.184 0.000 2.230 156 Q HA -0.142 4.227 4.340 0.050 0.000 0.202 156 Q C 2.252 178.166 176.000 -0.143 0.000 0.963 156 Q CA 1.216 56.948 55.803 -0.120 0.000 0.866 156 Q CB -0.083 28.602 28.738 -0.089 0.000 0.931 156 Q HN 0.569 nan 8.270 nan 0.000 0.452 157 R N 1.007 121.384 120.500 -0.206 0.000 2.066 157 R HA -0.112 4.258 4.340 0.050 0.000 0.232 157 R C 1.991 178.141 176.300 -0.251 0.000 1.131 157 R CA 1.884 57.864 56.100 -0.201 0.000 0.955 157 R CB -0.687 29.497 30.300 -0.192 0.000 0.851 157 R HN 0.238 nan 8.270 nan 0.000 0.432 158 V N -2.619 117.036 119.914 -0.431 0.000 3.052 158 V HA 0.353 4.503 4.120 0.050 0.000 0.254 158 V C 1.562 177.542 176.094 -0.189 0.000 1.100 158 V CA 1.406 63.476 62.300 -0.382 0.000 1.112 158 V CB 0.091 31.503 31.823 -0.684 0.000 0.738 158 V HN 0.310 nan 8.190 nan 0.000 0.469 159 G N -0.768 107.955 108.800 -0.129 0.000 3.192 159 G HA2 0.531 4.520 3.960 0.050 0.000 0.239 159 G HA3 0.531 4.520 3.960 0.050 0.000 0.239 159 G C 0.812 175.730 174.900 0.029 0.000 1.084 159 G CA 0.396 45.513 45.100 0.027 0.000 0.784 159 G HN 1.464 nan 8.290 nan 0.000 0.540 160 G N 0.295 109.079 108.800 -0.026 0.000 2.758 160 G HA2 -0.234 3.756 3.960 0.050 0.000 0.686 160 G HA3 -0.234 3.756 3.960 0.050 0.000 0.686 160 G C 0.593 175.492 174.900 -0.002 0.000 1.389 160 G CA 0.173 45.266 45.100 -0.011 0.000 0.845 160 G HN 0.347 nan 8.290 nan 0.000 0.572 161 K N -0.001 120.396 120.400 -0.005 0.000 2.113 161 K HA -0.151 4.198 4.320 0.050 0.000 0.208 161 K C 1.711 178.321 176.600 0.016 0.000 1.047 161 K CA 2.187 58.470 56.287 -0.005 0.000 0.928 161 K CB -0.072 32.424 32.500 -0.007 0.000 0.716 161 K HN 0.464 nan 8.250 nan 0.000 0.446 162 E N 0.649 120.875 120.200 0.043 0.000 2.359 162 E HA 0.025 4.405 4.350 0.050 0.000 0.187 162 E C -0.582 176.078 176.600 0.100 0.000 1.081 162 E CA -0.160 56.282 56.400 0.069 0.000 0.929 162 E CB 0.669 30.419 29.700 0.084 0.000 1.086 162 E HN 0.061 nan 8.360 nan 0.000 0.462 163 V N 2.267 122.240 119.914 0.098 0.000 2.644 163 V HA 0.031 4.181 4.120 0.050 0.000 0.305 163 V C -2.311 173.844 176.094 0.101 0.000 1.053 163 V CA -1.522 60.857 62.300 0.131 0.000 1.186 163 V CB 0.747 32.672 31.823 0.169 0.000 0.895 163 V HN 0.108 nan 8.190 nan 0.000 0.490 164 P HA 0.312 nan 4.420 nan 0.000 0.276 164 P C -1.253 176.041 177.300 -0.010 0.000 1.243 164 P CA 0.195 63.218 63.100 -0.129 0.000 0.768 164 P CB 0.271 31.513 31.700 -0.764 0.000 0.856 165 F N 3.631 123.595 119.950 0.025 0.000 2.574 165 F HA 0.429 4.985 4.527 0.049 0.000 0.313 165 F C -1.274 174.602 175.800 0.126 0.000 1.130 165 F CA -0.824 57.206 58.000 0.051 0.000 0.936 165 F CB 1.643 40.676 39.000 0.055 0.000 1.219 165 F HN -0.029 nan 8.300 nan 0.000 0.445 166 V N 6.735 126.728 119.914 0.132 0.000 2.495 166 V HA 0.508 4.658 4.120 0.050 0.000 0.298 166 V C -0.257 175.991 176.094 0.257 0.000 1.031 166 V CA -0.688 61.756 62.300 0.240 0.000 0.871 166 V CB 1.881 33.791 31.823 0.145 0.000 0.988 166 V HN 0.544 nan 8.190 nan 0.000 0.432 167 I N 5.003 125.760 120.570 0.312 0.000 2.389 167 I HA 0.444 4.644 4.170 0.050 0.000 0.288 167 I C -0.105 176.134 176.117 0.205 0.000 0.999 167 I CA -0.310 61.150 61.300 0.266 0.000 1.129 167 I CB 1.669 39.826 38.000 0.262 0.000 1.288 167 I HN 0.568 nan 8.210 nan 0.000 0.444 168 M N 7.230 126.933 119.600 0.172 0.000 2.146 168 M HA 0.323 4.833 4.480 0.050 0.000 0.357 168 M C 0.001 176.399 176.300 0.163 0.000 1.261 168 M CA 0.049 55.446 55.300 0.160 0.000 1.106 168 M CB 0.742 33.428 32.600 0.142 0.000 1.612 168 M HN 0.767 nan 8.290 nan 0.000 0.470 169 T N 1.401 116.064 114.554 0.180 0.000 2.919 169 T HA 0.858 5.238 4.350 0.050 0.000 0.282 169 T C -0.187 174.601 174.700 0.146 0.000 1.020 169 T CA -0.607 61.606 62.100 0.189 0.000 0.994 169 T CB 1.610 70.657 68.868 0.299 0.000 1.180 169 T HN 0.739 nan 8.240 nan 0.000 0.566 170 S N -0.957 114.824 115.700 0.135 0.000 2.740 170 S HA 0.444 4.943 4.470 0.050 0.000 0.300 170 S C 0.167 174.819 174.600 0.088 0.000 1.147 170 S CA -0.765 57.488 58.200 0.088 0.000 0.871 170 S CB 1.238 64.484 63.200 0.078 0.000 1.173 170 S HN 0.594 nan 8.310 nan 0.000 0.510 171 D N 1.121 121.548 120.400 0.046 0.000 2.158 171 D HA -0.132 4.538 4.640 0.050 0.000 0.197 171 D C 1.149 177.488 176.300 0.065 0.000 0.995 171 D CA 1.526 55.551 54.000 0.043 0.000 0.846 171 D CB -0.324 40.487 40.800 0.018 0.000 0.941 171 D HN 0.583 nan 8.370 nan 0.000 0.456 172 D N -0.426 120.010 120.400 0.061 0.000 2.144 172 D HA -0.085 4.585 4.640 0.050 0.000 0.200 172 D C 2.000 178.339 176.300 0.065 0.000 0.978 172 D CA 1.735 55.767 54.000 0.054 0.000 0.833 172 D CB 0.061 40.889 40.800 0.047 0.000 0.961 172 D HN 0.368 nan 8.370 nan 0.000 0.470 173 T N -2.990 111.620 114.554 0.092 0.000 2.985 173 T HA -0.015 4.365 4.350 0.050 0.000 0.254 173 T C 1.633 176.396 174.700 0.104 0.000 1.021 173 T CA -0.127 62.026 62.100 0.089 0.000 0.957 173 T CB 0.186 69.111 68.868 0.094 0.000 1.047 173 T HN 0.157 nan 8.240 nan 0.000 0.511 174 H N 2.042 121.136 119.070 0.040 0.000 2.270 174 H HA -0.095 4.491 4.556 0.050 0.000 0.299 174 H C 1.348 176.696 175.328 0.035 0.000 1.077 174 H CA 2.127 58.201 56.048 0.042 0.000 1.294 174 H CB -0.133 29.653 29.762 0.040 0.000 1.371 174 H HN 0.270 nan 8.280 nan 0.000 0.491 175 D N 0.305 120.728 120.400 0.038 0.000 2.144 175 D HA -0.115 4.555 4.640 0.050 0.000 0.199 175 D C 2.503 178.770 176.300 -0.055 0.000 0.984 175 D CA 0.864 54.847 54.000 -0.028 0.000 0.834 175 D CB -0.197 40.631 40.800 0.047 0.000 0.955 175 D HN 0.332 nan 8.370 nan 0.000 0.465 176 R N -0.040 120.447 120.500 -0.022 0.000 2.148 176 R HA 0.005 4.375 4.340 0.050 0.000 0.223 176 R C 2.329 178.613 176.300 -0.027 0.000 1.088 176 R CA 1.009 57.098 56.100 -0.019 0.000 0.985 176 R CB -0.249 30.049 30.300 -0.004 0.000 0.880 176 R HN 0.072 nan 8.270 nan 0.000 0.451 177 T N 1.140 115.669 114.554 -0.042 0.000 2.737 177 T HA -0.066 4.314 4.350 0.050 0.000 0.265 177 T C 1.735 176.389 174.700 -0.078 0.000 1.038 177 T CA 1.027 63.102 62.100 -0.041 0.000 1.144 177 T CB -0.121 68.729 68.868 -0.030 0.000 0.866 177 T HN 0.111 nan 8.240 nan 0.000 0.434 178 L N 0.936 122.068 121.223 -0.151 0.000 2.046 178 L HA -0.163 4.207 4.340 0.050 0.000 0.208 178 L C 2.935 179.761 176.870 -0.073 0.000 1.077 178 L CA 1.482 56.242 54.840 -0.133 0.000 0.747 178 L CB -0.668 41.279 42.059 -0.186 0.000 0.896 178 L HN 0.355 nan 8.230 nan 0.000 0.432 179 Q N 0.317 120.082 119.800 -0.059 0.000 2.061 179 Q HA -0.267 4.103 4.340 0.050 0.000 0.204 179 Q C 2.315 178.299 176.000 -0.027 0.000 0.984 179 Q CA 1.759 57.541 55.803 -0.035 0.000 0.846 179 Q CB -0.099 28.623 28.738 -0.025 0.000 0.902 179 Q HN 0.371 nan 8.270 nan 0.000 0.421 180 L N 0.602 121.811 121.223 -0.023 0.000 2.056 180 L HA -0.133 4.237 4.340 0.050 0.000 0.207 180 L C 2.117 178.974 176.870 -0.022 0.000 1.078 180 L CA 1.462 56.294 54.840 -0.013 0.000 0.749 180 L CB -0.513 41.548 42.059 0.003 0.000 0.901 180 L HN 0.314 nan 8.230 nan 0.000 0.433 181 L N -0.646 120.557 121.223 -0.032 0.000 2.013 181 L HA -0.277 4.093 4.340 0.050 0.000 0.212 181 L C 2.820 179.668 176.870 -0.037 0.000 1.073 181 L CA 1.929 56.744 54.840 -0.041 0.000 0.753 181 L CB -0.627 41.402 42.059 -0.051 0.000 0.890 181 L HN 0.319 nan 8.230 nan 0.000 0.432 182 R N 0.391 120.871 120.500 -0.034 0.000 2.073 182 R HA -0.193 4.176 4.340 0.050 0.000 0.234 182 R C 2.152 178.438 176.300 -0.022 0.000 1.134 182 R CA 1.806 57.889 56.100 -0.028 0.000 0.952 182 R CB -0.140 30.145 30.300 -0.025 0.000 0.850 182 R HN 0.394 nan 8.270 nan 0.000 0.433 183 E N 0.271 120.459 120.200 -0.020 0.000 2.153 183 E HA -0.156 4.223 4.350 0.050 0.000 0.194 183 E C 1.792 178.382 176.600 -0.016 0.000 0.988 183 E CA 1.109 57.500 56.400 -0.015 0.000 0.811 183 E CB 0.012 29.704 29.700 -0.012 0.000 0.746 183 E HN 0.394 nan 8.360 nan 0.000 0.466 184 L N 0.331 121.541 121.223 -0.020 0.000 2.599 184 L HA 0.007 4.377 4.340 0.050 0.000 0.230 184 L C 0.254 177.109 176.870 -0.025 0.000 1.141 184 L CA 0.196 55.022 54.840 -0.023 0.000 0.877 184 L CB -0.163 41.879 42.059 -0.027 0.000 1.009 184 L HN 0.131 nan 8.230 nan 0.000 0.447 185 Q N 0.052 119.837 119.800 -0.025 0.000 2.475 185 Q HA -0.197 4.173 4.340 0.050 0.000 0.280 185 Q C -0.309 175.672 176.000 -0.032 0.000 1.234 185 Q CA 0.362 56.150 55.803 -0.025 0.000 0.873 185 Q CB -1.941 26.786 28.738 -0.019 0.000 1.256 185 Q HN 0.461 nan 8.270 nan 0.000 0.475 186 L N 1.432 122.630 121.223 -0.042 0.000 2.360 186 L HA 0.140 4.510 4.340 0.050 0.000 0.276 186 L C 0.697 177.534 176.870 -0.056 0.000 1.121 186 L CA 0.219 55.026 54.840 -0.056 0.000 0.845 186 L CB 0.548 42.563 42.059 -0.074 0.000 1.143 186 L HN 0.017 nan 8.230 nan 0.000 0.452 187 E N 4.393 124.560 120.200 -0.054 0.000 2.101 187 E HA 0.300 4.680 4.350 0.050 0.000 0.260 187 E C -1.083 175.485 176.600 -0.054 0.000 0.897 187 E CA -0.279 56.093 56.400 -0.047 0.000 0.744 187 E CB 1.884 31.564 29.700 -0.034 0.000 1.140 187 E HN 0.191 nan 8.360 nan 0.000 0.419 188 V N 4.930 124.807 119.914 -0.062 0.000 2.327 188 V HA 0.166 4.316 4.120 0.050 0.000 0.272 188 V C -1.719 174.345 176.094 -0.049 0.000 1.019 188 V CA -1.407 60.854 62.300 -0.065 0.000 0.814 188 V CB 1.379 33.136 31.823 -0.110 0.000 1.040 188 V HN 0.322 nan 8.190 nan 0.000 0.440 189 P HA -0.090 nan 4.420 nan 0.000 0.216 189 P C 0.667 177.944 177.300 -0.039 0.000 1.150 189 P CA 1.370 64.455 63.100 -0.024 0.000 0.837 189 P CB 0.115 31.816 31.700 0.002 0.000 0.786 190 N N -0.980 117.716 118.700 -0.007 0.000 2.380 190 N HA 0.166 4.936 4.740 0.050 0.000 0.255 190 N C -0.382 175.123 175.510 -0.009 0.000 1.158 190 N CA -0.427 52.630 53.050 0.013 0.000 0.878 190 N CB -0.088 38.480 38.487 0.135 0.000 1.138 190 N HN 0.032 nan 8.380 nan 0.000 0.509 191 L N 1.412 122.578 121.223 -0.096 0.000 2.349 191 L HA 0.221 4.591 4.340 0.050 0.000 0.275 191 L C -0.592 176.138 176.870 -0.233 0.000 1.115 191 L CA -0.153 54.675 54.840 -0.019 0.000 0.820 191 L CB 0.248 42.292 42.059 -0.025 0.000 1.135 191 L HN 0.250 nan 8.230 nan 0.000 0.445 192 H N 4.885 124.070 119.070 0.192 0.000 2.727 192 H HA 0.373 4.959 4.556 0.050 0.000 0.330 192 H C -1.052 174.376 175.328 0.167 0.000 0.986 192 H CA -0.739 55.404 56.048 0.159 0.000 1.251 192 H CB 1.699 31.558 29.762 0.161 0.000 1.493 192 H HN 0.383 nan 8.280 nan 0.000 0.515 193 V N 6.079 126.126 119.914 0.222 0.000 2.364 193 V HA 0.206 4.356 4.120 0.050 0.000 0.272 193 V C 0.291 176.524 176.094 0.232 0.000 1.036 193 V CA -0.404 62.026 62.300 0.216 0.000 0.880 193 V CB 0.878 32.800 31.823 0.165 0.000 0.991 193 V HN 0.488 nan 8.190 nan 0.000 0.460 194 L N 5.307 126.655 121.223 0.209 0.000 2.325 194 L HA 0.588 4.958 4.340 0.050 0.000 0.281 194 L C -0.093 176.853 176.870 0.128 0.000 1.004 194 L CA -0.562 54.369 54.840 0.151 0.000 0.823 194 L CB 1.810 43.949 42.059 0.133 0.000 1.236 194 L HN 0.522 nan 8.230 nan 0.000 0.415 195 K N 4.236 124.666 120.400 0.050 0.000 2.240 195 K HA 0.297 4.647 4.320 0.050 0.000 0.271 195 K C -0.321 176.278 176.600 -0.002 0.000 1.018 195 K CA -0.597 55.686 56.287 -0.008 0.000 0.874 195 K CB 1.156 33.505 32.500 -0.251 0.000 1.098 195 K HN 0.632 nan 8.250 nan 0.000 0.458 196 Q N 2.341 122.162 119.800 0.034 0.000 2.340 196 Q HA 0.307 4.677 4.340 0.050 0.000 0.249 196 Q C 0.008 176.012 176.000 0.006 0.000 0.957 196 Q CA -0.810 55.015 55.803 0.036 0.000 0.882 196 Q CB 1.101 29.883 28.738 0.074 0.000 1.235 196 Q HN 0.622 nan 8.270 nan 0.000 0.439 197 G N 1.769 110.564 108.800 -0.008 0.000 2.400 197 G HA2 0.271 4.261 3.960 0.050 0.000 0.301 197 G HA3 0.271 4.261 3.960 0.050 0.000 0.301 197 G C -0.704 174.182 174.900 -0.023 0.000 1.154 197 G CA -0.658 44.423 45.100 -0.031 0.000 0.852 197 G HN 0.662 nan 8.290 nan 0.000 0.511 198 Q N -0.892 118.881 119.800 -0.045 0.000 2.306 198 Q HA 0.457 4.827 4.340 0.050 0.000 0.241 198 Q C 0.245 176.150 176.000 -0.158 0.000 0.948 198 Q CA -0.614 55.149 55.803 -0.067 0.000 0.886 198 Q CB 2.070 30.766 28.738 -0.070 0.000 1.227 198 Q HN 0.515 nan 8.270 nan 0.000 0.457 199 V N -1.714 118.077 119.914 -0.204 0.000 2.994 199 V HA 0.538 4.688 4.120 0.050 0.000 0.318 199 V C -0.370 175.350 176.094 -0.623 0.000 1.085 199 V CA -1.032 60.988 62.300 -0.466 0.000 0.998 199 V CB 0.718 32.370 31.823 -0.284 0.000 1.063 199 V HN 0.505 nan 8.190 nan 0.000 0.447 200 F N 0.363 119.771 119.950 -0.904 0.000 2.485 200 F HA 0.553 5.110 4.527 0.050 0.000 0.327 200 F C 0.828 176.329 175.800 -0.500 0.000 1.203 200 F CA -0.531 57.045 58.000 -0.706 0.000 1.295 200 F CB 0.155 38.635 39.000 -0.867 0.000 1.191 200 F HN 0.628 nan 8.300 nan 0.000 0.588 201 C N 1.339 120.542 119.300 -0.161 0.000 2.529 201 C HA 0.621 5.111 4.460 0.050 0.000 0.329 201 C C -0.699 174.157 174.990 -0.223 0.000 1.194 201 C CA -1.010 57.865 59.018 -0.238 0.000 1.779 201 C CB 0.983 28.679 27.740 -0.073 0.000 2.322 201 C HN 0.412 nan 8.230 nan 0.000 0.500 202 F N 0.939 120.988 119.950 0.166 0.000 2.404 202 F HA 0.493 5.050 4.527 0.050 0.000 0.354 202 F C 1.069 177.021 175.800 0.253 0.000 1.122 202 F CA -0.797 57.315 58.000 0.186 0.000 1.080 202 F CB 0.843 39.967 39.000 0.206 0.000 1.131 202 F HN 0.775 nan 8.300 nan 0.000 0.471 203 A N 1.619 124.623 122.820 0.307 0.000 2.014 203 A HA 0.036 4.386 4.320 0.050 0.000 0.218 203 A C 0.364 177.928 177.584 -0.034 0.000 1.163 203 A CA 1.463 53.599 52.037 0.164 0.000 0.652 203 A CB -0.663 18.359 19.000 0.037 0.000 0.808 203 A HN 0.767 nan 8.150 nan 0.000 0.449 204 D N -3.677 116.621 120.400 -0.171 0.000 2.652 204 D HA 0.308 4.978 4.640 0.050 0.000 0.285 204 D C 0.509 176.429 176.300 -0.634 0.000 1.173 204 D CA 0.183 53.764 54.000 -0.698 0.000 0.981 204 D CB 0.212 40.832 40.800 -0.300 0.000 1.440 204 D HN -0.046 nan 8.370 nan 0.000 0.485 205 S N -1.507 113.834 115.700 -0.598 0.000 2.555 205 S HA 0.119 4.619 4.470 0.050 0.000 0.230 205 S C 1.482 176.016 174.600 -0.110 0.000 0.978 205 S CA 0.410 58.517 58.200 -0.155 0.000 0.934 205 S CB -0.468 62.715 63.200 -0.030 0.000 0.766 205 S HN 0.694 nan 8.310 nan 0.000 0.533 206 A N 0.460 123.171 122.820 -0.181 0.000 2.345 206 A HA 0.774 5.124 4.320 0.050 0.000 0.225 206 A C 1.298 178.679 177.584 -0.338 0.000 1.243 206 A CA 0.242 52.156 52.037 -0.204 0.000 0.875 206 A CB -0.770 18.074 19.000 -0.260 0.000 0.929 206 A HN 1.487 nan 8.150 nan 0.000 0.502 207 A N -0.019 122.557 122.820 -0.406 0.000 2.925 207 A HA -0.168 4.182 4.320 0.050 0.000 0.265 207 A C 0.043 177.530 177.584 -0.162 0.000 1.419 207 A CA 0.723 52.384 52.037 -0.626 0.000 0.807 207 A CB -2.836 15.434 19.000 -1.217 0.000 1.043 207 A HN 0.650 nan 8.150 nan 0.000 0.600 208 H N -0.430 118.687 119.070 0.079 0.000 2.722 208 H HA 0.395 4.981 4.556 0.050 0.000 0.328 208 H C 0.855 176.329 175.328 0.244 0.000 1.067 208 H CA 0.127 56.271 56.048 0.160 0.000 1.447 208 H CB 0.553 30.263 29.762 -0.088 0.000 1.469 208 H HN 0.518 nan 8.280 nan 0.000 0.544 209 L N 2.309 123.778 121.223 0.410 0.000 2.453 209 L HA 0.167 4.536 4.340 0.050 0.000 0.272 209 L C 0.999 177.978 176.870 0.181 0.000 1.182 209 L CA -0.375 54.592 54.840 0.212 0.000 0.858 209 L CB 0.418 42.452 42.059 -0.040 0.000 1.120 209 L HN 0.590 nan 8.230 nan 0.000 0.474 210 A N 5.183 128.053 122.820 0.084 0.000 2.316 210 A HA 0.731 5.081 4.320 0.050 0.000 0.284 210 A C -0.419 177.172 177.584 0.011 0.000 1.115 210 A CA -0.485 51.585 52.037 0.056 0.000 0.812 210 A CB 0.611 19.648 19.000 0.062 0.000 1.064 210 A HN 0.651 nan 8.150 nan 0.000 0.489 211 L N 1.125 122.356 121.223 0.014 0.000 2.319 211 L HA 0.428 4.798 4.340 0.050 0.000 0.267 211 L C -0.177 176.697 176.870 0.008 0.000 1.011 211 L CA -1.106 53.734 54.840 -0.001 0.000 0.818 211 L CB 1.873 43.934 42.059 0.002 0.000 1.316 211 L HN 0.925 nan 8.230 nan 0.000 0.432 212 D N -0.445 119.960 120.400 0.007 0.000 2.478 212 D HA 0.107 4.777 4.640 0.050 0.000 0.274 212 D C 0.544 176.851 176.300 0.011 0.000 1.234 212 D CA -0.440 53.566 54.000 0.011 0.000 1.069 212 D CB 0.592 41.399 40.800 0.011 0.000 1.113 212 D HN 0.460 nan 8.370 nan 0.000 0.571 213 E N -1.198 119.009 120.200 0.011 0.000 2.106 213 E HA -0.128 4.251 4.350 0.050 0.000 0.192 213 E C 1.934 178.541 176.600 0.011 0.000 0.984 213 E CA 1.909 58.315 56.400 0.011 0.000 0.806 213 E CB -0.576 29.130 29.700 0.010 0.000 0.750 213 E HN 0.696 nan 8.360 nan 0.000 0.458 214 T N -2.001 112.559 114.554 0.011 0.000 2.977 214 T HA -0.012 4.368 4.350 0.050 0.000 0.271 214 T C 1.632 176.339 174.700 0.013 0.000 1.105 214 T CA 1.214 63.320 62.100 0.010 0.000 1.116 214 T CB -0.260 68.614 68.868 0.010 0.000 0.878 214 T HN 0.362 nan 8.240 nan 0.000 0.509 215 G N 0.627 109.436 108.800 0.015 0.000 2.159 215 G HA2 -0.182 3.808 3.960 0.050 0.000 0.227 215 G HA3 -0.182 3.808 3.960 0.050 0.000 0.227 215 G C -0.056 174.854 174.900 0.017 0.000 0.986 215 G CA 0.109 45.221 45.100 0.021 0.000 0.651 215 G HN 0.697 nan 8.290 nan 0.000 0.523 216 K N -0.137 120.270 120.400 0.011 0.000 2.087 216 K HA 0.641 4.990 4.320 0.050 0.000 0.255 216 K C 0.723 177.318 176.600 -0.009 0.000 0.988 216 K CA -0.850 55.442 56.287 0.008 0.000 0.915 216 K CB 1.258 33.770 32.500 0.019 0.000 1.043 216 K HN 0.140 nan 8.250 nan 0.000 0.457 217 L N 2.780 123.985 121.223 -0.030 0.000 2.499 217 L HA -0.006 4.364 4.340 0.050 0.000 0.273 217 L C 0.157 177.040 176.870 0.021 0.000 1.195 217 L CA -0.276 54.524 54.840 -0.066 0.000 0.882 217 L CB -0.124 41.815 42.059 -0.200 0.000 1.133 217 L HN 0.364 nan 8.230 nan 0.000 0.483 218 L N 5.329 126.558 121.223 0.010 0.000 2.426 218 L HA 0.296 4.666 4.340 0.050 0.000 0.271 218 L C -0.065 176.826 176.870 0.036 0.000 1.169 218 L CA 0.550 55.402 54.840 0.021 0.000 0.836 218 L CB 0.216 42.280 42.059 0.008 0.000 1.112 218 L HN 0.494 nan 8.230 nan 0.000 0.465 219 R N 4.433 124.933 120.500 0.001 0.000 2.686 219 R HA 0.597 4.967 4.340 0.050 0.000 0.283 219 R C -1.083 175.188 176.300 -0.048 0.000 0.978 219 R CA -0.913 55.157 56.100 -0.049 0.000 0.897 219 R CB 2.167 32.432 30.300 -0.059 0.000 1.192 219 R HN 0.651 nan 8.270 nan 0.000 0.457 220 K N 1.510 121.869 120.400 -0.068 0.000 2.522 220 K HA 0.485 4.835 4.320 0.050 0.000 0.275 220 K C -2.772 173.813 176.600 -0.024 0.000 1.006 220 K CA -2.007 54.258 56.287 -0.037 0.000 0.890 220 K CB 2.553 35.032 32.500 -0.034 0.000 1.475 220 K HN 0.208 nan 8.250 nan 0.000 0.441 221 P HA 0.028 nan 4.420 nan 0.000 0.271 221 P C -0.436 176.898 177.300 0.057 0.000 1.218 221 P CA 0.013 63.133 63.100 0.033 0.000 0.780 221 P CB 0.403 32.123 31.700 0.034 0.000 0.901 222 H N 1.843 120.901 119.070 -0.021 0.000 2.539 222 H HA 0.175 4.761 4.556 0.050 0.000 0.269 222 H C 0.681 175.978 175.328 -0.051 0.000 0.980 222 H CA 0.597 56.635 56.048 -0.018 0.000 1.152 222 H CB -0.073 29.717 29.762 0.046 0.000 1.407 222 H HN 0.666 nan 8.280 nan 0.000 0.564 223 G N 0.750 109.500 108.800 -0.083 0.000 2.661 223 G HA2 -0.271 3.719 3.960 0.050 0.000 0.685 223 G HA3 -0.271 3.719 3.960 0.050 0.000 0.685 223 G C 0.218 175.062 174.900 -0.092 0.000 1.298 223 G CA -0.097 44.899 45.100 -0.174 0.000 0.855 223 G HN 0.642 nan 8.290 nan 0.000 0.560 224 H N -0.811 118.290 119.070 0.052 0.000 2.559 224 H HA 0.253 4.839 4.556 0.050 0.000 0.273 224 H C 2.407 177.753 175.328 0.030 0.000 1.000 224 H CA 1.674 57.753 56.048 0.053 0.000 1.195 224 H CB -0.385 29.415 29.762 0.063 0.000 1.368 224 H HN 0.964 nan 8.280 nan 0.000 0.592 225 G N 0.876 109.683 108.800 0.011 0.000 2.462 225 G HA2 -0.279 3.711 3.960 0.050 0.000 0.220 225 G HA3 -0.279 3.711 3.960 0.050 0.000 0.220 225 G C 1.143 176.118 174.900 0.125 0.000 1.121 225 G CA 0.867 46.031 45.100 0.106 0.000 0.758 225 G HN 0.375 nan 8.290 nan 0.000 0.559 226 D N -0.017 120.460 120.400 0.129 0.000 2.271 226 D HA -0.122 4.548 4.640 0.050 0.000 0.207 226 D C 2.466 178.823 176.300 0.095 0.000 0.983 226 D CA 0.603 54.696 54.000 0.156 0.000 0.878 226 D CB -0.250 40.647 40.800 0.162 0.000 0.920 226 D HN 0.201 nan 8.370 nan 0.000 0.479 227 V N 0.998 120.921 119.914 0.014 0.000 2.490 227 V HA -0.243 3.907 4.120 0.050 0.000 0.250 227 V C 2.021 178.132 176.094 0.028 0.000 1.061 227 V CA 1.742 64.043 62.300 0.000 0.000 1.064 227 V CB -0.284 31.531 31.823 -0.014 0.000 0.670 227 V HN 0.319 nan 8.190 nan 0.000 0.461 228 H N 0.292 119.486 119.070 0.206 0.000 2.363 228 H HA -0.045 4.541 4.556 0.050 0.000 0.301 228 H C 2.624 178.051 175.328 0.165 0.000 1.074 228 H CA 1.728 57.900 56.048 0.207 0.000 1.354 228 H CB -0.623 29.198 29.762 0.098 0.000 1.397 228 H HN 0.688 nan 8.280 nan 0.000 0.516 229 S N 1.049 116.883 115.700 0.224 0.000 2.387 229 S HA -0.050 4.450 4.470 0.050 0.000 0.226 229 S C 2.314 177.011 174.600 0.162 0.000 1.026 229 S CA 0.445 58.749 58.200 0.174 0.000 0.972 229 S CB -0.730 62.532 63.200 0.104 0.000 0.814 229 S HN 0.216 nan 8.310 nan 0.000 0.477 230 L N 0.789 122.090 121.223 0.130 0.000 2.046 230 L HA -0.041 4.328 4.340 0.050 0.000 0.208 230 L C 2.611 179.534 176.870 0.087 0.000 1.077 230 L CA 1.403 56.300 54.840 0.093 0.000 0.747 230 L CB -0.608 41.507 42.059 0.094 0.000 0.896 230 L HN 0.319 nan 8.230 nan 0.000 0.432 231 I N -1.453 119.205 120.570 0.147 0.000 2.252 231 I HA -0.329 3.871 4.170 0.050 0.000 0.245 231 I C 2.561 178.712 176.117 0.056 0.000 1.102 231 I CA 1.244 62.620 61.300 0.126 0.000 1.385 231 I CB -0.346 37.831 38.000 0.294 0.000 1.064 231 I HN 0.197 nan 8.210 nan 0.000 0.414 232 Y N 2.147 122.451 120.300 0.005 0.000 2.207 232 Y HA -0.267 4.313 4.550 0.050 0.000 0.287 232 Y C 1.845 177.676 175.900 -0.117 0.000 1.156 232 Y CA 1.976 60.034 58.100 -0.070 0.000 1.182 232 Y CB -0.483 37.934 38.460 -0.072 0.000 0.979 232 Y HN 0.206 nan 8.280 nan 0.000 0.521 233 N N 0.066 118.686 118.700 -0.132 0.000 2.336 233 N HA 0.222 4.992 4.740 0.050 0.000 0.189 233 N C -0.127 175.264 175.510 -0.199 0.000 1.113 233 N CA 0.288 53.210 53.050 -0.213 0.000 0.858 233 N CB 0.151 38.605 38.487 -0.055 0.000 0.970 233 N HN 0.276 nan 8.380 nan 0.000 0.471 234 A N 0.769 123.475 122.820 -0.190 0.000 2.354 234 A HA 0.501 4.851 4.320 0.050 0.000 0.269 234 A C 0.562 177.984 177.584 -0.269 0.000 1.109 234 A CA -0.165 51.756 52.037 -0.193 0.000 0.800 234 A CB 0.227 19.115 19.000 -0.187 0.000 1.045 234 A HN 0.212 nan 8.150 nan 0.000 0.489 235 T N -1.213 113.213 114.554 -0.214 0.000 2.901 235 T HA 0.721 5.101 4.350 0.050 0.000 0.293 235 T C -0.162 174.445 174.700 -0.156 0.000 1.084 235 T CA -0.176 61.798 62.100 -0.211 0.000 1.008 235 T CB 0.857 69.632 68.868 -0.155 0.000 1.170 235 T HN 1.159 nan 8.240 nan 0.000 0.509 252 Q N 1.476 121.217 119.800 -0.098 0.000 2.195 252 Q HA 0.790 5.160 4.340 0.050 0.000 0.250 252 Q C -2.609 173.279 176.000 -0.187 0.000 0.988 252 Q CA -2.265 53.462 55.803 -0.126 0.000 0.911 252 Q CB 0.943 29.619 28.738 -0.104 0.000 1.258 252 Q HN 0.303 nan 8.270 nan 0.000 0.475 253 P HA -0.112 nan 4.420 nan 0.000 0.266 253 P C 0.278 177.349 177.300 -0.381 0.000 1.193 253 P CA -0.186 62.730 63.100 -0.307 0.000 0.770 253 P CB 0.411 31.930 31.700 -0.301 0.000 0.836 254 L N 5.655 126.568 121.223 -0.516 0.000 1.990 254 L HA -0.194 4.176 4.340 0.050 0.000 0.213 254 L C 2.097 178.304 176.870 -1.104 0.000 1.072 254 L CA 2.137 56.469 54.840 -0.847 0.000 0.755 254 L CB -1.468 40.003 42.059 -0.980 0.000 0.889 254 L HN 0.316 nan 8.230 nan 0.000 0.432 255 V N -2.683 116.743 119.914 -0.813 0.000 2.594 255 V HA -0.252 3.898 4.120 0.050 0.000 0.253 255 V C 2.130 178.122 176.094 -0.170 0.000 1.069 255 V CA 2.124 64.161 62.300 -0.438 0.000 1.082 255 V CB -1.265 30.511 31.823 -0.077 0.000 0.680 255 V HN 0.587 nan 8.190 nan 0.000 0.469 256 N N 0.822 119.402 118.700 -0.200 0.000 2.120 256 N HA -0.230 4.540 4.740 0.050 0.000 0.188 256 N C 1.684 177.161 175.510 -0.055 0.000 1.024 256 N CA 1.860 54.855 53.050 -0.091 0.000 0.852 256 N CB -0.251 38.171 38.487 -0.109 0.000 1.003 256 N HN 0.683 nan 8.380 nan 0.000 0.424 257 D N 0.222 120.532 120.400 -0.150 0.000 2.104 257 D HA -0.163 4.507 4.640 0.050 0.000 0.194 257 D C 1.657 178.034 176.300 0.130 0.000 0.994 257 D CA 1.110 55.074 54.000 -0.061 0.000 0.830 257 D CB 0.116 40.818 40.800 -0.163 0.000 0.959 257 D HN 0.258 nan 8.370 nan 0.000 0.452 258 W N 0.689 121.999 121.300 0.016 0.000 2.354 258 W HA -0.059 4.631 4.660 0.050 0.000 0.315 258 W C 2.271 178.894 176.519 0.175 0.000 1.206 258 W CA 0.343 57.719 57.345 0.051 0.000 1.290 258 W CB -1.352 28.075 29.460 -0.055 0.000 1.152 258 W HN 0.145 nan 8.180 nan 0.000 0.489 259 L N 0.184 121.609 121.223 0.336 0.000 2.017 259 L HA -0.200 4.170 4.340 0.050 0.000 0.208 259 L C 2.612 179.587 176.870 0.176 0.000 1.073 259 L CA 1.691 56.670 54.840 0.232 0.000 0.745 259 L CB -1.281 40.875 42.059 0.161 0.000 0.894 259 L HN -0.093 nan 8.230 nan 0.000 0.432 260 A N -0.352 122.555 122.820 0.144 0.000 2.067 260 A HA -0.048 4.302 4.320 0.050 0.000 0.219 260 A C 2.282 179.938 177.584 0.120 0.000 1.158 260 A CA 1.445 53.544 52.037 0.103 0.000 0.661 260 A CB -0.495 18.547 19.000 0.070 0.000 0.801 260 A HN 0.414 nan 8.150 nan 0.000 0.452 261 A N -2.010 120.931 122.820 0.201 0.000 2.251 261 A HA 0.428 4.778 4.320 0.050 0.000 0.209 261 A C 1.680 179.315 177.584 0.085 0.000 1.187 261 A CA 1.164 53.326 52.037 0.209 0.000 0.823 261 A CB -0.647 18.590 19.000 0.395 0.000 0.846 261 A HN 1.775 nan 8.150 nan 0.000 0.486 262 G N -2.419 106.425 108.800 0.074 0.000 2.163 262 G HA2 -0.245 3.745 3.960 0.050 0.000 0.213 262 G HA3 -0.245 3.745 3.960 0.050 0.000 0.213 262 G C -0.049 174.761 174.900 -0.150 0.000 0.991 262 G CA -0.023 45.039 45.100 -0.063 0.000 0.653 262 G HN 0.372 nan 8.290 nan 0.000 0.518 263 Y N 0.858 121.180 120.300 0.037 0.000 2.411 263 Y HA 0.450 5.030 4.550 0.050 0.000 0.333 263 Y C 1.623 177.524 175.900 0.002 0.000 1.186 263 Y CA 0.877 58.969 58.100 -0.012 0.000 1.381 263 Y CB 0.707 39.132 38.460 -0.057 0.000 1.273 263 Y HN 0.254 nan 8.280 nan 0.000 0.546 264 E N 0.185 120.435 120.200 0.084 0.000 2.536 264 E HA 0.178 4.558 4.350 0.050 0.000 0.220 264 E C -0.439 176.192 176.600 0.052 0.000 0.876 264 E CA 0.121 56.556 56.400 0.058 0.000 1.190 264 E CB 0.818 30.525 29.700 0.012 0.000 1.191 264 E HN 0.428 nan 8.360 nan 0.000 0.557 265 S N 0.598 116.299 115.700 0.002 0.000 2.595 265 S HA 0.595 5.095 4.470 0.050 0.000 0.281 265 S C -1.026 173.473 174.600 -0.167 0.000 1.117 265 S CA -0.661 57.515 58.200 -0.039 0.000 0.873 265 S CB 2.463 65.623 63.200 -0.067 0.000 1.108 265 S HN 0.183 nan 8.310 nan 0.000 0.477 266 I N 1.699 122.177 120.570 -0.155 0.000 2.569 266 I HA 0.692 4.892 4.170 0.050 0.000 0.290 266 I C -1.813 174.168 176.117 -0.227 0.000 1.088 266 I CA -0.674 60.410 61.300 -0.360 0.000 1.047 266 I CB 1.382 39.108 38.000 -0.457 0.000 1.237 266 I HN 0.425 nan 8.210 nan 0.000 0.421 267 V N 7.364 127.016 119.914 -0.436 0.000 2.656 267 V HA 0.497 4.647 4.120 0.050 0.000 0.307 267 V C -0.984 174.904 176.094 -0.343 0.000 1.051 267 V CA -0.464 61.714 62.300 -0.203 0.000 0.893 267 V CB 1.842 33.577 31.823 -0.147 0.000 0.999 267 V HN 0.470 nan 8.190 nan 0.000 0.426 268 F N 5.355 125.266 119.950 -0.063 0.000 2.444 268 F HA 0.729 5.286 4.527 0.049 0.000 0.342 268 F C 0.258 176.003 175.800 -0.091 0.000 1.121 268 F CA -0.667 57.289 58.000 -0.074 0.000 0.997 268 F CB 1.511 40.511 39.000 -0.001 0.000 1.130 268 F HN 0.408 nan 8.300 nan 0.000 0.454 269 I N -0.270 120.294 120.570 -0.009 0.000 2.846 269 I HA 0.626 4.826 4.170 0.050 0.000 0.307 269 I C -0.869 175.189 176.117 -0.097 0.000 1.053 269 I CA -1.004 60.240 61.300 -0.093 0.000 1.050 269 I CB 2.050 39.899 38.000 -0.253 0.000 1.239 269 I HN 0.484 nan 8.210 nan 0.000 0.439 270 Q N 1.438 121.184 119.800 -0.090 0.000 2.166 270 Q HA 0.203 4.573 4.340 0.050 0.000 0.226 270 Q C -0.063 175.910 176.000 -0.044 0.000 0.989 270 Q CA -0.492 55.276 55.803 -0.059 0.000 0.966 270 Q CB 1.350 30.059 28.738 -0.048 0.000 1.173 270 Q HN 0.831 nan 8.270 nan 0.000 0.509 271 D N -1.239 119.157 120.400 -0.007 0.000 2.234 271 D HA -0.103 4.567 4.640 0.050 0.000 0.205 271 D C 0.928 177.180 176.300 -0.080 0.000 0.962 271 D CA 1.030 55.060 54.000 0.050 0.000 0.855 271 D CB -0.062 40.756 40.800 0.031 0.000 0.951 271 D HN 0.528 nan 8.370 nan 0.000 0.500 272 T N -3.027 111.355 114.554 -0.286 0.000 3.533 272 T HA 0.245 4.625 4.350 0.050 0.000 0.275 272 T C -0.397 174.034 174.700 -0.448 0.000 1.000 272 T CA -0.936 60.639 62.100 -0.875 0.000 1.015 272 T CB -0.802 67.557 68.868 -0.849 0.000 1.153 272 T HN -0.003 nan 8.240 nan 0.000 0.504 273 N N 0.975 119.651 118.700 -0.040 0.000 2.626 273 N HA 0.600 5.369 4.740 0.050 0.000 0.249 273 N C 0.946 176.591 175.510 0.225 0.000 1.021 273 N CA -0.360 52.712 53.050 0.038 0.000 0.886 273 N CB 1.319 39.806 38.487 0.000 0.000 1.149 273 N HN 0.302 nan 8.380 nan 0.000 0.517 274 A N 2.222 125.165 122.820 0.205 0.000 2.121 274 A HA 0.076 4.425 4.320 0.050 0.000 0.218 274 A C 1.862 179.539 177.584 0.156 0.000 1.154 274 A CA 1.332 53.464 52.037 0.158 0.000 0.679 274 A CB -0.630 18.253 19.000 -0.194 0.000 0.795 274 A HN 0.642 nan 8.150 nan 0.000 0.458 275 G N -0.345 108.480 108.800 0.041 0.000 2.470 275 G HA2 0.006 3.995 3.960 0.050 0.000 0.220 275 G HA3 0.006 3.995 3.960 0.050 0.000 0.220 275 G C 1.608 176.458 174.900 -0.083 0.000 1.121 275 G CA 1.127 46.202 45.100 -0.041 0.000 0.766 275 G HN 0.733 nan 8.290 nan 0.000 0.553 276 A N 1.068 123.861 122.820 -0.044 0.000 1.986 276 A HA -0.110 4.240 4.320 0.050 0.000 0.220 276 A C 2.632 180.054 177.584 -0.270 0.000 1.171 276 A CA 2.642 54.603 52.037 -0.126 0.000 0.640 276 A CB -1.086 17.869 19.000 -0.075 0.000 0.811 276 A HN 0.578 nan 8.150 nan 0.000 0.451 277 T N -2.401 111.908 114.554 -0.408 0.000 3.007 277 T HA -0.005 4.375 4.350 0.050 0.000 0.270 277 T C 1.585 176.049 174.700 -0.393 0.000 1.107 277 T CA 1.221 62.759 62.100 -0.936 0.000 1.118 277 T CB -0.276 67.778 68.868 -1.356 0.000 0.889 277 T HN 0.292 nan 8.240 nan 0.000 0.506 278 I N 2.419 122.870 120.570 -0.198 0.000 2.628 278 I HA 0.008 4.208 4.170 0.050 0.000 0.255 278 I C 2.972 179.033 176.117 -0.093 0.000 1.119 278 I CA 1.631 62.886 61.300 -0.076 0.000 1.448 278 I CB -1.573 36.400 38.000 -0.044 0.000 1.133 278 I HN 0.481 nan 8.210 nan 0.000 0.438 279 T N -0.329 114.063 114.554 -0.271 0.000 2.904 279 T HA -0.024 4.356 4.350 0.050 0.000 0.267 279 T C 2.015 176.620 174.700 -0.157 0.000 1.059 279 T CA 0.828 62.592 62.100 -0.559 0.000 1.137 279 T CB -0.608 67.617 68.868 -1.072 0.000 0.879 279 T HN 0.173 nan 8.240 nan 0.000 0.467 280 I N 2.227 122.770 120.570 -0.045 0.000 2.127 280 I HA -0.081 4.119 4.170 0.050 0.000 0.241 280 I C -0.489 175.738 176.117 0.183 0.000 1.075 280 I CA 1.328 62.693 61.300 0.108 0.000 1.334 280 I CB -1.143 36.989 38.000 0.220 0.000 1.040 280 I HN 0.239 nan 8.210 nan 0.000 0.405 281 P HA -0.169 nan 4.420 nan 0.000 0.216 281 P C 1.773 179.172 177.300 0.165 0.000 1.150 281 P CA 1.420 64.639 63.100 0.199 0.000 0.837 281 P CB -0.067 31.759 31.700 0.210 0.000 0.786 282 I N -0.756 119.939 120.570 0.209 0.000 2.252 282 I HA -0.151 4.048 4.170 0.050 0.000 0.245 282 I C 2.122 178.369 176.117 0.216 0.000 1.102 282 I CA 1.655 63.096 61.300 0.235 0.000 1.385 282 I CB -1.793 36.449 38.000 0.403 0.000 1.064 282 I HN -0.042 nan 8.210 nan 0.000 0.414 283 S N 1.179 117.052 115.700 0.288 0.000 2.368 283 S HA -0.101 4.399 4.470 0.050 0.000 0.225 283 S C 2.154 176.806 174.600 0.087 0.000 1.030 283 S CA 1.080 59.403 58.200 0.205 0.000 0.999 283 S CB -0.405 62.921 63.200 0.210 0.000 0.844 283 S HN 0.344 nan 8.310 nan 0.000 0.459 284 L N 1.206 122.478 121.223 0.081 0.000 2.012 284 L HA -0.184 4.186 4.340 0.050 0.000 0.210 284 L C 2.842 179.720 176.870 0.014 0.000 1.073 284 L CA 1.346 56.208 54.840 0.037 0.000 0.748 284 L CB -0.749 41.336 42.059 0.044 0.000 0.891 284 L HN 0.338 nan 8.230 nan 0.000 0.431 285 A N -0.118 122.718 122.820 0.026 0.000 1.908 285 A HA -0.195 4.155 4.320 0.050 0.000 0.218 285 A C 2.234 179.784 177.584 -0.055 0.000 1.181 285 A CA 1.657 53.689 52.037 -0.009 0.000 0.627 285 A CB -0.717 18.290 19.000 0.011 0.000 0.818 285 A HN 0.392 nan 8.150 nan 0.000 0.445 286 L N -0.997 120.203 121.223 -0.038 0.000 2.109 286 L HA -0.090 4.280 4.340 0.050 0.000 0.207 286 L C 2.815 179.619 176.870 -0.110 0.000 1.086 286 L CA 1.087 55.879 54.840 -0.079 0.000 0.760 286 L CB -0.339 41.697 42.059 -0.039 0.000 0.910 286 L HN 0.309 nan 8.230 nan 0.000 0.437 287 S N -0.015 115.646 115.700 -0.065 0.000 2.370 287 S HA -0.209 4.291 4.470 0.050 0.000 0.226 287 S C 2.154 176.719 174.600 -0.060 0.000 1.033 287 S CA 1.403 59.570 58.200 -0.054 0.000 1.011 287 S CB -0.204 62.980 63.200 -0.027 0.000 0.852 287 S HN 0.512 nan 8.310 nan 0.000 0.457 288 A N 1.090 123.868 122.820 -0.069 0.000 1.897 288 A HA -0.093 4.257 4.320 0.050 0.000 0.215 288 A C 1.999 179.502 177.584 -0.135 0.000 1.181 288 A CA 1.591 53.584 52.037 -0.072 0.000 0.620 288 A CB -0.586 18.379 19.000 -0.058 0.000 0.821 288 A HN 0.610 nan 8.150 nan 0.000 0.443 289 E N -0.994 119.065 120.200 -0.236 0.000 2.153 289 E HA -0.208 4.172 4.350 0.050 0.000 0.194 289 E C 0.816 177.094 176.600 -0.536 0.000 0.988 289 E CA 1.116 57.269 56.400 -0.411 0.000 0.811 289 E CB -0.102 29.256 29.700 -0.571 0.000 0.746 289 E HN 0.750 nan 8.360 nan 0.000 0.466 290 H N -0.502 118.429 119.070 -0.231 0.000 2.528 290 H HA 0.231 4.817 4.556 0.050 0.000 0.282 290 H C -0.187 175.078 175.328 -0.104 0.000 1.097 290 H CA 0.376 56.280 56.048 -0.239 0.000 1.121 290 H CB 0.779 30.152 29.762 -0.649 0.000 1.590 290 H HN -0.016 nan 8.280 nan 0.000 0.553 291 S N 1.236 116.935 115.700 -0.002 0.000 3.447 291 S HA -0.178 4.322 4.470 0.050 0.000 0.371 291 S C 0.370 175.016 174.600 0.077 0.000 0.951 291 S CA 0.136 58.360 58.200 0.039 0.000 1.269 291 S CB -1.741 61.489 63.200 0.051 0.000 0.919 291 S HN 0.366 nan 8.310 nan 0.000 0.516 292 L N 1.454 122.710 121.223 0.056 0.000 2.276 292 L HA 0.318 4.688 4.340 0.050 0.000 0.286 292 L C 1.333 178.254 176.870 0.084 0.000 1.061 292 L CA -0.600 54.284 54.840 0.073 0.000 0.807 292 L CB 0.769 42.847 42.059 0.033 0.000 1.177 292 L HN 0.222 nan 8.230 nan 0.000 0.429 293 D N 2.672 123.155 120.400 0.138 0.000 2.183 293 D HA 0.015 4.685 4.640 0.050 0.000 0.205 293 D C 0.412 176.719 176.300 0.012 0.000 0.962 293 D CA 1.287 55.407 54.000 0.201 0.000 0.849 293 D CB 0.709 41.774 40.800 0.442 0.000 0.978 293 D HN 0.389 nan 8.370 nan 0.000 0.488 294 M N 0.675 120.158 119.600 -0.195 0.000 2.393 294 M HA 0.271 4.781 4.480 0.050 0.000 0.299 294 M C -1.854 174.230 176.300 -0.360 0.000 1.103 294 M CA -0.618 54.354 55.300 -0.546 0.000 0.910 294 M CB 2.564 34.656 32.600 -0.848 0.000 1.659 294 M HN -0.345 nan 8.290 nan 0.000 0.445 295 N N 4.315 122.737 118.700 -0.463 0.000 2.577 295 N HA 0.339 5.109 4.740 0.050 0.000 0.275 295 N C -2.070 173.309 175.510 -0.218 0.000 1.091 295 N CA -0.269 52.666 53.050 -0.191 0.000 0.843 295 N CB 0.641 39.064 38.487 -0.107 0.000 1.295 295 N HN 0.511 nan 8.380 nan 0.000 0.530 296 F N 1.151 121.008 119.950 -0.156 0.000 2.504 296 F HA 0.165 4.722 4.527 0.049 0.000 0.369 296 F C 1.406 177.190 175.800 -0.027 0.000 1.082 296 F CA 0.203 58.135 58.000 -0.114 0.000 1.216 296 F CB 0.730 39.666 39.000 -0.105 0.000 1.108 296 F HN 0.163 nan 8.300 nan 0.000 0.554 297 T N 3.915 118.558 114.554 0.148 0.000 2.761 297 T HA 0.365 4.745 4.350 0.050 0.000 0.296 297 T C -0.218 174.571 174.700 0.148 0.000 0.934 297 T CA -0.323 61.890 62.100 0.189 0.000 1.091 297 T CB 0.026 68.942 68.868 0.080 0.000 0.896 297 T HN 0.578 nan 8.240 nan 0.000 0.515 298 C N 3.599 123.009 119.300 0.183 0.000 2.913 298 C HA 0.882 5.372 4.460 0.050 0.000 0.322 298 C C -0.094 174.924 174.990 0.046 0.000 1.292 298 C CA -1.082 57.963 59.018 0.046 0.000 1.649 298 C CB 0.963 28.698 27.740 -0.008 0.000 2.139 298 C HN 0.980 nan 8.230 nan 0.000 0.475 299 I N -1.174 119.349 120.570 -0.079 0.000 2.894 299 I HA 0.587 4.787 4.170 0.050 0.000 0.302 299 I C -2.959 173.032 176.117 -0.210 0.000 1.188 299 I CA -2.323 58.915 61.300 -0.104 0.000 1.014 299 I CB 2.064 39.998 38.000 -0.109 0.000 1.242 299 I HN 0.333 nan 8.210 nan 0.000 0.430 300 P HA 0.092 nan 4.420 nan 0.000 0.264 300 P C -1.152 175.846 177.300 -0.504 0.000 1.193 300 P CA 0.115 62.836 63.100 -0.631 0.000 0.763 300 P CB 0.652 31.542 31.700 -1.349 0.000 0.810 301 R N 2.592 122.993 120.500 -0.165 0.000 2.474 301 R HA 0.468 4.838 4.340 0.050 0.000 0.295 301 R C -0.468 176.018 176.300 0.309 0.000 0.980 301 R CA -0.931 55.195 56.100 0.044 0.000 0.934 301 R CB 1.149 31.438 30.300 -0.018 0.000 1.101 301 R HN 0.359 nan 8.270 nan 0.000 0.469 302 V N 2.560 122.627 119.914 0.255 0.000 2.439 302 V HA 0.406 4.556 4.120 0.050 0.000 0.282 302 V C -2.086 174.078 176.094 0.116 0.000 1.039 302 V CA -2.002 60.425 62.300 0.212 0.000 0.913 302 V CB 1.394 33.331 31.823 0.189 0.000 0.983 302 V HN 0.765 nan 8.190 nan 0.000 0.460 303 P HA -0.123 nan 4.420 nan 0.000 0.218 303 P C 0.324 177.678 177.300 0.090 0.000 1.146 303 P CA 1.497 64.646 63.100 0.081 0.000 0.820 303 P CB 0.053 31.790 31.700 0.061 0.000 0.778 304 K N 0.318 120.764 120.400 0.077 0.000 2.457 304 K HA 0.278 4.628 4.320 0.050 0.000 0.226 304 K C -0.156 176.481 176.600 0.062 0.000 1.114 304 K CA -0.099 56.231 56.287 0.071 0.000 1.089 304 K CB 0.472 33.007 32.500 0.057 0.000 1.739 304 K HN 0.094 nan 8.250 nan 0.000 0.473 305 E N 2.136 122.363 120.200 0.046 0.000 2.291 305 E HA 0.169 4.549 4.350 0.050 0.000 0.276 305 E C -2.482 174.036 176.600 -0.137 0.000 0.896 305 E CA -2.129 54.271 56.400 0.001 0.000 0.774 305 E CB 1.805 31.535 29.700 0.049 0.000 1.227 305 E HN 0.045 nan 8.360 nan 0.000 0.413 306 P HA 0.114 nan 4.420 nan 0.000 0.237 306 P C -0.345 176.540 177.300 -0.692 0.000 1.723 306 P CA 0.316 62.810 63.100 -1.009 0.000 0.882 306 P CB -0.883 30.377 31.700 -0.734 0.000 1.810 307 I N -4.061 116.380 120.570 -0.216 0.000 2.785 307 I HA 0.785 4.984 4.170 0.050 0.000 0.302 307 I C 0.165 176.377 176.117 0.159 0.000 1.069 307 I CA -1.429 59.878 61.300 0.011 0.000 1.045 307 I CB 2.274 40.202 38.000 -0.121 0.000 1.236 307 I HN -0.154 nan 8.210 nan 0.000 0.429 308 G N 3.879 112.774 108.800 0.157 0.000 2.667 308 G HA2 0.485 4.475 3.960 0.050 0.000 0.250 308 G HA3 0.485 4.475 3.960 0.050 0.000 0.250 308 G C -0.760 174.107 174.900 -0.054 0.000 1.212 308 G CA -0.560 44.586 45.100 0.076 0.000 0.874 308 G HN 0.497 nan 8.290 nan 0.000 0.561 309 L N -0.143 121.001 121.223 -0.132 0.000 2.322 309 L HA 0.361 4.731 4.340 0.050 0.000 0.281 309 L C -0.069 176.630 176.870 -0.285 0.000 1.014 309 L CA -0.763 53.945 54.840 -0.221 0.000 0.815 309 L CB 1.738 43.577 42.059 -0.366 0.000 1.247 309 L HN 0.347 nan 8.230 nan 0.000 0.421 310 L N 3.511 124.546 121.223 -0.312 0.000 2.325 310 L HA 0.409 4.779 4.340 0.050 0.000 0.284 310 L C -0.657 175.940 176.870 -0.454 0.000 1.089 310 L CA 0.561 55.128 54.840 -0.456 0.000 0.836 310 L CB -0.017 41.756 42.059 -0.477 0.000 1.184 310 L HN 0.713 nan 8.230 nan 0.000 0.444 311 C N 4.283 123.278 119.300 -0.508 0.000 2.779 311 C HA 0.554 5.044 4.460 0.050 0.000 0.314 311 C C 0.130 174.861 174.990 -0.431 0.000 1.231 311 C CA -1.119 57.522 59.018 -0.629 0.000 1.652 311 C CB 2.045 29.373 27.740 -0.687 0.000 2.198 311 C HN 0.769 nan 8.230 nan 0.000 0.483 312 R N 1.428 121.691 120.500 -0.395 0.000 2.221 312 R HA 0.536 4.906 4.340 0.050 0.000 0.327 312 R C -0.221 176.121 176.300 0.072 0.000 1.033 312 R CA 0.303 56.310 56.100 -0.154 0.000 0.887 312 R CB 0.748 30.865 30.300 -0.305 0.000 1.057 312 R HN 0.992 nan 8.270 nan 0.000 0.455 313 T N 0.834 115.472 114.554 0.139 0.000 2.908 313 T HA 0.433 4.813 4.350 0.050 0.000 0.290 313 T C -0.456 174.304 174.700 0.100 0.000 1.034 313 T CA -0.978 61.127 62.100 0.009 0.000 1.010 313 T CB 2.067 70.751 68.868 -0.306 0.000 1.068 313 T HN 0.429 nan 8.240 nan 0.000 0.481 314 K N 1.416 121.800 120.400 -0.027 0.000 2.604 314 K HA 0.306 4.656 4.320 0.050 0.000 0.247 314 K C 0.427 177.092 176.600 0.108 0.000 0.956 314 K CA -0.812 55.384 56.287 -0.152 0.000 0.896 314 K CB 1.605 33.756 32.500 -0.582 0.000 1.131 314 K HN 0.544 nan 8.250 nan 0.000 0.440 315 K N 2.181 122.672 120.400 0.151 0.000 2.009 315 K HA -0.090 4.260 4.320 0.050 0.000 0.210 315 K C -0.248 176.320 176.600 -0.054 0.000 1.049 315 K CA 1.812 58.130 56.287 0.051 0.000 0.929 315 K CB 0.029 32.512 32.500 -0.027 0.000 0.714 315 K HN 0.566 nan 8.250 nan 0.000 0.440 316 N N -1.738 116.925 118.700 -0.062 0.000 2.328 316 N HA 0.199 4.969 4.740 0.050 0.000 0.299 316 N C -0.118 175.335 175.510 -0.094 0.000 1.179 316 N CA -0.332 52.673 53.050 -0.075 0.000 0.793 316 N CB 1.961 40.407 38.487 -0.068 0.000 1.366 316 N HN -0.197 nan 8.380 nan 0.000 0.493 317 S N -0.241 115.408 115.700 -0.085 0.000 2.462 317 S HA -0.122 4.378 4.470 0.050 0.000 0.243 317 S C 1.724 176.262 174.600 -0.104 0.000 1.003 317 S CA 1.371 59.512 58.200 -0.098 0.000 0.970 317 S CB -0.461 62.699 63.200 -0.067 0.000 0.762 317 S HN 0.775 nan 8.310 nan 0.000 0.510 318 G N 1.135 109.884 108.800 -0.085 0.000 2.459 318 G HA2 -0.008 3.982 3.960 0.050 0.000 0.213 318 G HA3 -0.008 3.982 3.960 0.050 0.000 0.213 318 G C 0.175 175.025 174.900 -0.083 0.000 1.155 318 G CA -0.096 44.961 45.100 -0.072 0.000 0.811 318 G HN 0.370 nan 8.290 nan 0.000 0.534 319 D N 1.495 121.838 120.400 -0.095 0.000 2.368 319 D HA 0.259 4.929 4.640 0.050 0.000 0.240 319 D C -2.014 174.208 176.300 -0.131 0.000 1.169 319 D CA -1.024 52.926 54.000 -0.083 0.000 0.906 319 D CB 0.895 41.659 40.800 -0.059 0.000 1.187 319 D HN 0.117 nan 8.370 nan 0.000 0.435 320 P HA 0.102 nan 4.420 nan 0.000 0.276 320 P C -0.406 176.879 177.300 -0.026 0.000 1.244 320 P CA -0.581 62.496 63.100 -0.038 0.000 0.801 320 P CB 0.513 32.245 31.700 0.053 0.000 1.006 321 W N 1.183 122.501 121.300 0.030 0.000 2.209 321 W HA 0.219 4.908 4.660 0.050 0.000 0.344 321 W C 0.404 176.942 176.519 0.031 0.000 1.285 321 W CA 0.228 57.583 57.345 0.018 0.000 1.267 321 W CB -0.073 29.385 29.460 -0.002 0.000 1.167 321 W HN 0.135 nan 8.180 nan 0.000 0.574 322 L N 2.764 124.157 121.223 0.284 0.000 2.408 322 L HA 0.432 4.802 4.340 0.050 0.000 0.268 322 L C -0.732 176.213 176.870 0.126 0.000 0.986 322 L CA -1.230 53.724 54.840 0.191 0.000 0.820 322 L CB 1.804 43.958 42.059 0.158 0.000 1.303 322 L HN -0.003 nan 8.230 nan 0.000 0.411 323 V N 3.087 123.056 119.914 0.093 0.000 2.385 323 V HA 0.768 4.918 4.120 0.050 0.000 0.269 323 V C 0.193 176.279 176.094 -0.014 0.000 1.043 323 V CA -0.117 62.177 62.300 -0.010 0.000 0.906 323 V CB 0.914 32.733 31.823 -0.006 0.000 0.995 323 V HN 0.846 nan 8.190 nan 0.000 0.467 324 A N 4.554 127.285 122.820 -0.148 0.000 2.612 324 A HA 0.521 4.871 4.320 0.050 0.000 0.293 324 A C -0.538 176.858 177.584 -0.313 0.000 1.075 324 A CA -0.794 51.167 52.037 -0.126 0.000 0.680 324 A CB 1.267 20.286 19.000 0.031 0.000 1.279 324 A HN 0.659 nan 8.150 nan 0.000 0.411 325 N N 0.679 119.227 118.700 -0.253 0.000 2.497 325 N HA 0.306 5.075 4.740 0.050 0.000 0.268 325 N C -1.017 174.433 175.510 -0.100 0.000 1.171 325 N CA 0.276 53.198 53.050 -0.213 0.000 0.948 325 N CB 0.702 39.184 38.487 -0.008 0.000 1.069 325 N HN 0.343 nan 8.380 nan 0.000 0.460 326 V N 3.834 123.678 119.914 -0.116 0.000 2.313 326 V HA 0.159 4.309 4.120 0.050 0.000 0.278 326 V C 0.205 176.297 176.094 -0.002 0.000 1.017 326 V CA -0.896 61.389 62.300 -0.025 0.000 0.823 326 V CB 1.091 32.916 31.823 0.002 0.000 1.010 326 V HN 0.648 nan 8.190 nan 0.000 0.443 327 E N 2.843 123.017 120.200 -0.043 0.000 2.437 327 E HA -0.039 4.341 4.350 0.050 0.000 0.263 327 E C 0.942 177.477 176.600 -0.108 0.000 1.030 327 E CA 0.298 56.619 56.400 -0.131 0.000 0.934 327 E CB 0.610 30.110 29.700 -0.333 0.000 0.943 327 E HN 0.761 nan 8.360 nan 0.000 0.444 328 Y N 2.742 123.073 120.300 0.052 0.000 2.114 328 Y HA -0.339 4.242 4.550 0.052 0.000 0.282 328 Y C 1.566 177.538 175.900 0.120 0.000 1.165 328 Y CA 1.751 59.904 58.100 0.088 0.000 1.148 328 Y CB -0.827 37.671 38.460 0.063 0.000 0.972 328 Y HN 0.453 nan 8.280 nan 0.000 0.504 329 N N 1.094 119.614 118.700 -0.299 0.000 2.223 329 N HA -0.145 4.625 4.740 0.050 0.000 0.185 329 N C 1.477 176.970 175.510 -0.029 0.000 1.016 329 N CA 1.828 54.819 53.050 -0.099 0.000 0.863 329 N CB -1.215 37.138 38.487 -0.225 0.000 0.983 329 N HN 0.439 nan 8.380 nan 0.000 0.429 330 V N -0.268 119.613 119.914 -0.055 0.000 2.488 330 V HA -0.026 4.124 4.120 0.050 0.000 0.246 330 V C 1.829 177.990 176.094 0.112 0.000 1.046 330 V CA 0.932 63.242 62.300 0.017 0.000 1.053 330 V CB -0.851 30.979 31.823 0.011 0.000 0.679 330 V HN 0.152 nan 8.190 nan 0.000 0.458 331 F N 1.471 121.442 119.950 0.035 0.000 2.604 331 F HA 0.085 4.642 4.527 0.050 0.000 0.298 331 F C 2.125 177.972 175.800 0.078 0.000 1.131 331 F CA 0.762 58.806 58.000 0.073 0.000 1.457 331 F CB -0.136 38.913 39.000 0.082 0.000 1.095 331 F HN 0.087 nan 8.300 nan 0.000 0.574 332 A N -0.336 122.579 122.820 0.158 0.000 2.209 332 A HA -0.045 4.305 4.320 0.050 0.000 0.212 332 A C 1.877 179.462 177.584 0.001 0.000 1.158 332 A CA 1.416 53.511 52.037 0.096 0.000 0.742 332 A CB -0.382 18.695 19.000 0.128 0.000 0.790 332 A HN 0.557 nan 8.150 nan 0.000 0.472 333 E N -1.099 119.080 120.200 -0.035 0.000 2.357 333 E HA 0.045 4.425 4.350 0.050 0.000 0.202 333 E C 1.725 178.275 176.600 -0.083 0.000 0.855 333 E CA 0.636 57.010 56.400 -0.043 0.000 1.048 333 E CB -0.342 29.348 29.700 -0.016 0.000 1.037 333 E HN 0.240 nan 8.360 nan 0.000 0.499 334 V N 3.169 123.025 119.914 -0.097 0.000 2.287 334 V HA -0.291 3.859 4.120 0.050 0.000 0.248 334 V C 2.792 178.753 176.094 -0.222 0.000 1.053 334 V CA 2.396 64.639 62.300 -0.094 0.000 1.027 334 V CB -0.956 30.882 31.823 0.025 0.000 0.646 334 V HN 0.363 nan 8.190 nan 0.000 0.447 335 S N 0.704 116.102 115.700 -0.502 0.000 2.413 335 S HA -0.322 4.178 4.470 0.050 0.000 0.237 335 S C 1.910 176.381 174.600 -0.215 0.000 1.044 335 S CA 1.928 59.801 58.200 -0.546 0.000 1.024 335 S CB -0.509 62.281 63.200 -0.684 0.000 0.829 335 S HN 0.456 nan 8.310 nan 0.000 0.475 336 R N 1.011 121.424 120.500 -0.146 0.000 2.320 336 R HA 0.535 4.905 4.340 0.050 0.000 0.211 336 R C 1.445 177.716 176.300 -0.048 0.000 0.931 336 R CA 0.547 56.603 56.100 -0.073 0.000 1.071 336 R CB -0.590 29.680 30.300 -0.050 0.000 1.025 336 R HN 0.590 nan 8.270 nan 0.000 0.495 337 A N -0.625 122.165 122.820 -0.050 0.000 2.121 337 A HA 0.423 4.773 4.320 0.050 0.000 0.215 337 A C -0.282 177.293 177.584 -0.014 0.000 1.861 337 A CA 0.221 52.242 52.037 -0.028 0.000 0.850 337 A CB 0.200 19.185 19.000 -0.026 0.000 1.346 337 A HN 0.144 nan 8.150 nan 0.000 0.597 338 L N -2.149 119.071 121.223 -0.005 0.000 2.409 338 L HA 0.749 5.119 4.340 0.050 0.000 0.262 338 L C -1.094 175.791 176.870 0.025 0.000 0.992 338 L CA -0.797 54.048 54.840 0.008 0.000 0.817 338 L CB 1.859 43.924 42.059 0.009 0.000 1.350 338 L HN 0.238 nan 8.230 nan 0.000 0.411 339 N N 0.859 119.575 118.700 0.028 0.000 2.287 339 N HA 0.341 5.111 4.740 0.050 0.000 0.289 339 N C -1.414 174.119 175.510 0.037 0.000 1.066 339 N CA -0.610 52.465 53.050 0.042 0.000 0.841 339 N CB 2.631 41.144 38.487 0.042 0.000 1.599 339 N HN 0.740 nan 8.380 nan 0.000 0.476 340 K N 1.991 122.419 120.400 0.047 0.000 2.472 340 K HA 0.052 4.402 4.320 0.050 0.000 0.280 340 K C -0.631 175.989 176.600 0.033 0.000 1.028 340 K CA 0.584 56.894 56.287 0.039 0.000 1.045 340 K CB 0.102 32.631 32.500 0.049 0.000 0.902 340 K HN 0.683 nan 8.250 nan 0.000 0.478 352 F N 0.975 120.903 119.950 -0.035 0.000 2.457 352 F HA 0.665 5.221 4.527 0.048 0.000 0.330 352 F C 1.196 176.947 175.800 -0.082 0.000 1.069 352 F CA -0.902 57.071 58.000 -0.045 0.000 1.009 352 F CB 1.300 40.277 39.000 -0.038 0.000 1.276 352 F HN 0.006 nan 8.300 nan 0.000 0.492 353 S N 1.810 117.577 115.700 0.112 0.000 2.563 353 S HA 0.010 4.510 4.470 0.050 0.000 0.284 353 S C -1.621 172.893 174.600 -0.143 0.000 1.331 353 S CA -0.736 57.423 58.200 -0.068 0.000 1.047 353 S CB 0.492 63.624 63.200 -0.114 0.000 0.859 353 S HN 0.403 nan 8.310 nan 0.000 0.514 354 P HA -0.029 nan 4.420 nan 0.000 0.215 354 P C -0.040 177.106 177.300 -0.257 0.000 1.157 354 P CA 1.001 63.873 63.100 -0.380 0.000 0.868 354 P CB 0.021 31.292 31.700 -0.715 0.000 0.788 355 F N -0.302 119.571 119.950 -0.128 0.000 2.429 355 F HA 0.307 4.864 4.527 0.050 0.000 0.348 355 F C -1.836 173.850 175.800 -0.191 0.000 1.109 355 F CA -3.608 54.279 58.000 -0.188 0.000 1.232 355 F CB -1.343 37.496 39.000 -0.267 0.000 1.157 355 F HN -0.165 nan 8.300 nan 0.000 0.564 356 P HA 0.230 nan 4.420 nan 0.000 0.272 356 P C -0.150 177.082 177.300 -0.114 0.000 1.223 356 P CA -0.380 62.668 63.100 -0.086 0.000 0.784 356 P CB 0.678 32.316 31.700 -0.104 0.000 0.923 357 G N 0.660 109.382 108.800 -0.129 0.000 2.325 357 G HA2 0.378 4.368 3.960 0.050 0.000 0.298 357 G HA3 0.378 4.368 3.960 0.050 0.000 0.298 357 G C -0.373 174.434 174.900 -0.155 0.000 1.134 357 G CA -0.212 44.802 45.100 -0.143 0.000 0.876 357 G HN 0.444 nan 8.290 nan 0.000 0.452 358 S N 0.946 116.568 115.700 -0.129 0.000 2.489 358 S HA 0.232 4.731 4.470 0.050 0.000 0.277 358 S C 1.149 175.681 174.600 -0.113 0.000 1.230 358 S CA -0.373 57.789 58.200 -0.062 0.000 1.053 358 S CB 1.215 64.426 63.200 0.018 0.000 0.955 358 S HN 1.150 nan 8.310 nan 0.000 0.488 359 V N 2.118 121.945 119.914 -0.146 0.000 3.621 359 V HA 0.438 4.588 4.120 0.050 0.000 0.285 359 V C 0.535 176.598 176.094 -0.052 0.000 1.346 359 V CA 0.178 62.333 62.300 -0.242 0.000 1.104 359 V CB -1.406 30.154 31.823 -0.439 0.000 0.913 359 V HN 0.951 nan 8.190 nan 0.000 0.432 360 N N 0.449 119.151 118.700 0.004 0.000 2.776 360 N HA -0.153 4.617 4.740 0.050 0.000 0.249 360 N C -0.025 175.478 175.510 -0.011 0.000 1.111 360 N CA 1.381 54.433 53.050 0.003 0.000 0.711 360 N CB -1.766 36.701 38.487 -0.033 0.000 1.065 360 N HN 0.734 nan 8.380 nan 0.000 0.556 361 T N 1.194 115.741 114.554 -0.012 0.000 2.762 361 T HA 0.489 4.869 4.350 0.050 0.000 0.303 361 T C 0.515 175.188 174.700 -0.046 0.000 0.977 361 T CA -0.377 61.714 62.100 -0.014 0.000 0.961 361 T CB 0.614 69.462 68.868 -0.032 0.000 0.944 361 T HN 0.099 nan 8.240 nan 0.000 0.481 362 L N 3.755 124.962 121.223 -0.026 0.000 2.296 362 L HA 0.657 5.027 4.340 0.050 0.000 0.286 362 L C -0.401 176.387 176.870 -0.136 0.000 1.023 362 L CA -1.103 53.617 54.840 -0.199 0.000 0.812 362 L CB 1.556 43.501 42.059 -0.190 0.000 1.223 362 L HN 0.276 nan 8.230 nan 0.000 0.421 363 V N 3.722 123.404 119.914 -0.387 0.000 2.409 363 V HA 0.480 4.630 4.120 0.050 0.000 0.291 363 V C -0.505 175.329 176.094 -0.434 0.000 1.020 363 V CA -0.357 61.800 62.300 -0.239 0.000 0.848 363 V CB 1.405 33.154 31.823 -0.123 0.000 0.990 363 V HN 0.403 nan 8.190 nan 0.000 0.430 364 F N 2.481 122.401 119.950 -0.051 0.000 2.561 364 F HA 0.524 5.080 4.527 0.050 0.000 0.321 364 F C 0.336 176.146 175.800 0.017 0.000 1.065 364 F CA -0.921 57.071 58.000 -0.014 0.000 0.934 364 F CB 1.841 40.873 39.000 0.054 0.000 1.215 364 F HN 0.273 nan 8.300 nan 0.000 0.471 365 K N 2.147 122.709 120.400 0.270 0.000 2.339 365 K HA 0.157 4.507 4.320 0.050 0.000 0.286 365 K C 0.813 177.589 176.600 0.294 0.000 1.050 365 K CA -0.313 56.108 56.287 0.224 0.000 0.956 365 K CB 0.807 33.437 32.500 0.216 0.000 0.990 365 K HN 0.701 nan 8.250 nan 0.000 0.475 366 L N 4.536 125.890 121.223 0.219 0.000 2.046 366 L HA -0.200 4.170 4.340 0.050 0.000 0.208 366 L C 2.149 179.194 176.870 0.292 0.000 1.077 366 L CA 2.288 57.279 54.840 0.251 0.000 0.747 366 L CB -0.727 41.443 42.059 0.186 0.000 0.896 366 L HN 0.892 nan 8.230 nan 0.000 0.432 367 S N -1.896 113.944 115.700 0.234 0.000 2.370 367 S HA -0.193 4.307 4.470 0.050 0.000 0.226 367 S C 1.999 176.741 174.600 0.236 0.000 1.033 367 S CA 1.468 59.793 58.200 0.208 0.000 1.011 367 S CB -0.986 62.315 63.200 0.168 0.000 0.852 367 S HN 0.509 nan 8.310 nan 0.000 0.457 368 S N 0.885 116.770 115.700 0.308 0.000 2.368 368 S HA -0.035 4.464 4.470 0.050 0.000 0.224 368 S C 1.557 176.301 174.600 0.241 0.000 1.029 368 S CA 1.136 59.553 58.200 0.362 0.000 0.988 368 S CB -0.739 62.778 63.200 0.528 0.000 0.838 368 S HN 0.645 nan 8.310 nan 0.000 0.462 369 Y N 2.768 123.202 120.300 0.224 0.000 2.081 369 Y HA -0.224 4.356 4.550 0.050 0.000 0.280 369 Y C 2.234 178.147 175.900 0.021 0.000 1.163 369 Y CA 1.393 59.555 58.100 0.104 0.000 1.135 369 Y CB -0.693 37.772 38.460 0.007 0.000 0.970 369 Y HN 0.029 nan 8.280 nan 0.000 0.498 370 V N 0.593 120.564 119.914 0.095 0.000 2.343 370 V HA -0.296 3.854 4.120 0.050 0.000 0.247 370 V C 2.103 178.155 176.094 -0.070 0.000 1.051 370 V CA 2.109 64.416 62.300 0.011 0.000 1.036 370 V CB -0.734 31.174 31.823 0.141 0.000 0.654 370 V HN 0.403 nan 8.190 nan 0.000 0.451 371 D N 0.081 120.465 120.400 -0.026 0.000 2.106 371 D HA -0.160 4.510 4.640 0.050 0.000 0.191 371 D C 2.415 178.620 176.300 -0.158 0.000 0.997 371 D CA 1.197 55.176 54.000 -0.035 0.000 0.834 371 D CB -0.282 40.556 40.800 0.064 0.000 0.956 371 D HN 0.252 nan 8.370 nan 0.000 0.448 372 R N 0.264 120.562 120.500 -0.337 0.000 2.092 372 R HA -0.038 4.332 4.340 0.050 0.000 0.231 372 R C 2.317 178.371 176.300 -0.410 0.000 1.119 372 R CA 0.163 55.968 56.100 -0.491 0.000 0.970 372 R CB -1.240 28.500 30.300 -0.934 0.000 0.864 372 R HN 0.241 nan 8.270 nan 0.000 0.440 373 L N 1.226 122.181 121.223 -0.447 0.000 1.994 373 L HA -0.121 4.249 4.340 0.050 0.000 0.208 373 L C 2.297 179.011 176.870 -0.260 0.000 1.071 373 L CA 1.780 56.387 54.840 -0.388 0.000 0.745 373 L CB -0.293 41.529 42.059 -0.396 0.000 0.892 373 L HN 0.002 nan 8.230 nan 0.000 0.431 374 R N -0.815 119.618 120.500 -0.113 0.000 2.096 374 R HA -0.171 4.198 4.340 0.050 0.000 0.235 374 R C 2.267 178.537 176.300 -0.051 0.000 1.127 374 R CA 1.316 57.416 56.100 -0.001 0.000 0.968 374 R CB -0.425 29.908 30.300 0.055 0.000 0.861 374 R HN 0.436 nan 8.270 nan 0.000 0.440 375 E N 0.627 120.770 120.200 -0.094 0.000 2.072 375 E HA -0.136 4.243 4.350 0.050 0.000 0.191 375 E C 1.538 178.071 176.600 -0.112 0.000 0.985 375 E CA 1.782 58.133 56.400 -0.081 0.000 0.801 375 E CB 0.116 29.749 29.700 -0.111 0.000 0.750 375 E HN 0.332 nan 8.360 nan 0.000 0.452 376 S N -1.298 114.290 115.700 -0.186 0.000 2.535 376 S HA 0.011 4.511 4.470 0.050 0.000 0.214 376 S C 0.131 174.588 174.600 -0.238 0.000 0.980 376 S CA 0.326 58.398 58.200 -0.214 0.000 0.907 376 S CB -0.179 62.893 63.200 -0.214 0.000 0.790 376 S HN 0.323 nan 8.310 nan 0.000 0.510 377 H N 0.839 119.489 119.070 -0.699 0.000 2.921 377 H HA -0.127 4.459 4.556 0.050 0.000 0.281 377 H C 1.360 176.227 175.328 -0.767 0.000 1.165 377 H CA 0.606 55.908 56.048 -1.243 0.000 1.151 377 H CB -1.897 27.461 29.762 -0.674 0.000 1.311 377 H HN 0.939 nan 8.280 nan 0.000 0.361 378 G N -1.213 107.362 108.800 -0.376 0.000 2.184 378 G HA2 -0.316 3.674 3.960 0.050 0.000 0.264 378 G HA3 -0.316 3.674 3.960 0.050 0.000 0.264 378 G C 0.231 175.112 174.900 -0.032 0.000 0.975 378 G CA 0.156 45.187 45.100 -0.115 0.000 0.642 378 G HN 0.429 nan 8.290 nan 0.000 0.536 379 I N 1.810 122.326 120.570 -0.091 0.000 2.452 379 I HA 0.411 4.611 4.170 0.050 0.000 0.287 379 I C 1.170 177.270 176.117 -0.030 0.000 1.079 379 I CA -0.909 60.361 61.300 -0.049 0.000 1.387 379 I CB 0.490 38.427 38.000 -0.104 0.000 1.404 379 I HN 0.305 nan 8.210 nan 0.000 0.522 380 V N 5.824 125.762 119.914 0.040 0.000 2.994 380 V HA 0.697 4.847 4.120 0.050 0.000 0.318 380 V C -2.485 173.653 176.094 0.074 0.000 1.085 380 V CA -2.348 59.983 62.300 0.051 0.000 0.998 380 V CB 1.113 32.995 31.823 0.098 0.000 1.063 380 V HN 0.511 nan 8.190 nan 0.000 0.447 381 P HA 0.267 nan 4.420 nan 0.000 0.267 381 P C -0.508 176.873 177.300 0.135 0.000 1.200 381 P CA 0.216 63.373 63.100 0.095 0.000 0.772 381 P CB 0.344 32.102 31.700 0.097 0.000 0.855 382 E N 0.807 121.089 120.200 0.138 0.000 2.281 382 E HA 0.702 5.082 4.350 0.050 0.000 0.257 382 E C -0.672 176.055 176.600 0.212 0.000 0.971 382 E CA -0.619 55.858 56.400 0.129 0.000 0.839 382 E CB 1.100 30.875 29.700 0.125 0.000 1.238 382 E HN 0.449 nan 8.360 nan 0.000 0.412 383 F N -0.984 118.973 119.950 0.011 0.000 2.711 383 F HA 0.682 5.239 4.527 0.049 0.000 0.313 383 F C -1.750 174.056 175.800 0.008 0.000 1.141 383 F CA -1.105 56.898 58.000 0.005 0.000 0.941 383 F CB 1.071 40.065 39.000 -0.010 0.000 1.349 383 F HN 0.382 nan 8.300 nan 0.000 0.464 384 I N 1.629 122.284 120.570 0.143 0.000 2.647 384 I HA 0.492 4.692 4.170 0.050 0.000 0.295 384 I C -1.604 174.631 176.117 0.196 0.000 1.078 384 I CA -0.643 60.674 61.300 0.027 0.000 1.048 384 I CB 2.065 40.086 38.000 0.035 0.000 1.239 384 I HN 0.805 nan 8.210 nan 0.000 0.421 385 N N 7.064 125.827 118.700 0.105 0.000 2.733 385 N HA 0.457 5.227 4.740 0.050 0.000 0.271 385 N C -2.768 172.697 175.510 -0.076 0.000 1.720 385 N CA -1.444 51.673 53.050 0.112 0.000 0.803 385 N CB 0.735 39.372 38.487 0.251 0.000 1.208 385 N HN 0.197 nan 8.380 nan 0.000 0.498 386 P HA 0.137 nan 4.420 nan 0.000 0.268 386 P C -0.665 176.281 177.300 -0.591 0.000 1.205 386 P CA 0.208 62.904 63.100 -0.674 0.000 0.771 386 P CB 0.675 31.644 31.700 -1.219 0.000 0.858 387 K N 2.787 122.888 120.400 -0.499 0.000 2.234 387 K HA 0.291 4.641 4.320 0.050 0.000 0.277 387 K C -0.549 175.877 176.600 -0.291 0.000 1.038 387 K CA -0.356 55.782 56.287 -0.248 0.000 0.888 387 K CB 0.454 32.894 32.500 -0.100 0.000 1.091 387 K HN 0.404 nan 8.250 nan 0.000 0.467 388 Y N 0.658 120.983 120.300 0.042 0.000 2.310 388 Y HA -0.015 4.565 4.550 0.050 0.000 0.326 388 Y C 1.858 177.819 175.900 0.102 0.000 1.151 388 Y CA 0.019 58.189 58.100 0.118 0.000 1.195 388 Y CB 1.705 40.239 38.460 0.123 0.000 1.210 388 Y HN 0.680 nan 8.280 nan 0.000 0.483 389 S N 0.777 116.635 115.700 0.263 0.000 2.359 389 S HA -0.181 4.318 4.470 0.050 0.000 0.224 389 S C 0.213 174.900 174.600 0.145 0.000 1.035 389 S CA 2.070 60.370 58.200 0.168 0.000 1.018 389 S CB -0.404 62.884 63.200 0.146 0.000 0.876 389 S HN 0.892 nan 8.310 nan 0.000 0.448 390 D N -1.741 118.754 120.400 0.158 0.000 2.614 390 D HA 0.337 5.007 4.640 0.050 0.000 0.264 390 D C 0.859 177.215 176.300 0.094 0.000 1.092 390 D CA -0.668 53.397 54.000 0.107 0.000 1.071 390 D CB 0.203 41.046 40.800 0.073 0.000 1.443 390 D HN -0.013 nan 8.370 nan 0.000 0.528 391 E N -0.467 119.764 120.200 0.051 0.000 2.065 391 E HA -0.138 4.242 4.350 0.050 0.000 0.201 391 E C 0.413 176.990 176.600 -0.038 0.000 1.016 391 E CA 1.993 58.404 56.400 0.019 0.000 0.818 391 E CB -0.385 29.322 29.700 0.012 0.000 0.749 391 E HN 0.668 nan 8.360 nan 0.000 0.453 392 T N 0.053 114.580 114.554 -0.044 0.000 3.604 392 T HA 0.150 4.529 4.350 0.050 0.000 0.305 392 T C 0.144 174.794 174.700 -0.082 0.000 0.978 392 T CA -0.505 61.538 62.100 -0.094 0.000 0.999 392 T CB 0.397 69.228 68.868 -0.063 0.000 1.204 392 T HN 0.096 nan 8.240 nan 0.000 0.476 393 R N 0.295 120.766 120.500 -0.047 0.000 2.750 393 R HA 0.586 4.956 4.340 0.050 0.000 0.281 393 R C -0.999 175.345 176.300 0.073 0.000 0.972 393 R CA -0.932 55.164 56.100 -0.007 0.000 0.912 393 R CB 1.440 31.752 30.300 0.021 0.000 1.187 393 R HN -0.107 nan 8.270 nan 0.000 0.464 394 R N 1.144 121.711 120.500 0.112 0.000 4.902 394 R HA 0.067 4.437 4.340 0.050 0.000 0.201 394 R C -0.267 176.163 176.300 0.217 0.000 2.020 394 R CA 0.185 56.496 56.100 0.352 0.000 1.674 394 R CB -0.195 30.272 30.300 0.278 0.000 1.349 394 R HN 0.458 nan 8.270 nan 0.000 0.813 395 S N 1.455 117.306 115.700 0.251 0.000 2.404 395 S HA 0.245 4.745 4.470 0.050 0.000 0.309 395 S C -0.294 174.498 174.600 0.320 0.000 1.076 395 S CA -0.761 57.526 58.200 0.145 0.000 1.095 395 S CB 0.054 63.315 63.200 0.102 0.000 0.972 395 S HN 0.165 nan 8.310 nan 0.000 0.484 396 F N 3.812 123.799 119.950 0.062 0.000 2.572 396 F HA 0.196 4.753 4.527 0.050 0.000 0.370 396 F C 1.628 177.427 175.800 -0.001 0.000 1.103 396 F CA -0.571 57.406 58.000 -0.037 0.000 1.286 396 F CB 0.471 39.434 39.000 -0.063 0.000 1.105 396 F HN 0.612 nan 8.300 nan 0.000 0.583 397 K N 2.046 122.544 120.400 0.163 0.000 2.103 397 K HA -0.093 4.257 4.320 0.050 0.000 0.204 397 K C 0.144 176.793 176.600 0.082 0.000 1.052 397 K CA 1.106 57.456 56.287 0.103 0.000 0.945 397 K CB 0.258 32.800 32.500 0.071 0.000 0.722 397 K HN 0.759 nan 8.250 nan 0.000 0.443 398 K N 0.177 120.610 120.400 0.055 0.000 2.508 398 K HA 0.414 4.763 4.320 0.050 0.000 0.260 398 K C -2.994 173.639 176.600 0.054 0.000 0.949 398 K CA -2.140 54.175 56.287 0.048 0.000 0.834 398 K CB 1.887 34.392 32.500 0.009 0.000 1.365 398 K HN -0.293 nan 8.250 nan 0.000 0.437 399 P HA -0.004 nan 4.420 nan 0.000 0.265 399 P C -1.096 176.203 177.300 -0.003 0.000 1.187 399 P CA 0.012 63.200 63.100 0.147 0.000 0.766 399 P CB 0.775 32.536 31.700 0.101 0.000 0.820 400 A N 3.266 126.067 122.820 -0.032 0.000 2.311 400 A HA 0.817 5.167 4.320 0.050 0.000 0.334 400 A C -0.079 177.477 177.584 -0.046 0.000 1.139 400 A CA -0.385 51.559 52.037 -0.156 0.000 0.830 400 A CB 1.037 19.778 19.000 -0.433 0.000 1.234 400 A HN 0.604 nan 8.150 nan 0.000 0.483 401 R N 1.221 121.674 120.500 -0.079 0.000 2.836 401 R HA 0.579 4.949 4.340 0.050 0.000 0.269 401 R C -1.588 174.682 176.300 -0.050 0.000 1.010 401 R CA -0.737 55.308 56.100 -0.091 0.000 0.930 401 R CB 0.173 30.430 30.300 -0.071 0.000 1.218 401 R HN 0.552 nan 8.270 nan 0.000 0.473 402 I N 1.596 122.177 120.570 0.017 0.000 2.529 402 I HA 0.168 4.368 4.170 0.050 0.000 0.284 402 I C 0.609 176.632 176.117 -0.157 0.000 1.082 402 I CA 0.233 61.509 61.300 -0.040 0.000 1.406 402 I CB 0.674 38.703 38.000 0.047 0.000 1.405 402 I HN 0.477 nan 8.210 nan 0.000 0.548 403 E N 3.665 123.495 120.200 -0.617 0.000 2.393 403 E HA 0.691 5.071 4.350 0.050 0.000 0.265 403 E C -1.133 174.920 176.600 -0.911 0.000 0.941 403 E CA -0.830 55.048 56.400 -0.870 0.000 0.801 403 E CB 2.301 31.407 29.700 -0.990 0.000 1.313 403 E HN 0.679 nan 8.360 nan 0.000 0.435 404 S N 0.059 115.386 115.700 -0.623 0.000 2.570 404 S HA 0.608 5.108 4.470 0.050 0.000 0.270 404 S C -1.363 173.166 174.600 -0.119 0.000 1.149 404 S CA -0.942 57.130 58.200 -0.215 0.000 0.837 404 S CB 0.701 63.769 63.200 -0.220 0.000 1.124 404 S HN 0.355 nan 8.310 nan 0.000 0.465 405 L N 2.386 123.647 121.223 0.064 0.000 2.346 405 L HA 0.503 4.873 4.340 0.050 0.000 0.274 405 L C 1.611 178.654 176.870 0.289 0.000 1.007 405 L CA -1.033 53.844 54.840 0.061 0.000 0.818 405 L CB 1.812 44.018 42.059 0.244 0.000 1.284 405 L HN 1.031 nan 8.230 nan 0.000 0.424 406 M N 0.972 120.905 119.600 0.555 0.000 2.296 406 M HA -0.131 4.379 4.480 0.050 0.000 0.265 406 M C 1.644 178.173 176.300 0.381 0.000 1.064 406 M CA 1.408 56.957 55.300 0.415 0.000 1.109 406 M CB -0.301 32.398 32.600 0.166 0.000 1.396 406 M HN 0.746 nan 8.290 nan 0.000 0.430 407 Q N 0.149 120.120 119.800 0.285 0.000 2.378 407 Q HA -0.100 4.270 4.340 0.050 0.000 0.205 407 Q C 0.433 176.577 176.000 0.240 0.000 0.954 407 Q CA 1.236 57.166 55.803 0.211 0.000 0.901 407 Q CB -0.709 28.192 28.738 0.271 0.000 0.981 407 Q HN 0.516 nan 8.270 nan 0.000 0.483 408 D N 1.467 122.006 120.400 0.232 0.000 2.378 408 D HA -0.012 4.658 4.640 0.050 0.000 0.222 408 D C 1.643 178.033 176.300 0.151 0.000 0.980 408 D CA 0.157 54.273 54.000 0.193 0.000 0.907 408 D CB -0.184 40.720 40.800 0.175 0.000 0.899 408 D HN 0.344 nan 8.370 nan 0.000 0.527 409 I N 0.379 121.007 120.570 0.096 0.000 2.700 409 I HA -0.259 3.941 4.170 0.050 0.000 0.261 409 I C 1.872 178.130 176.117 0.235 0.000 1.219 409 I CA 0.456 61.762 61.300 0.011 0.000 1.463 409 I CB 0.169 37.963 38.000 -0.345 0.000 1.092 409 I HN -0.089 nan 8.210 nan 0.000 0.452 410 A N 0.696 123.656 122.820 0.233 0.000 2.076 410 A HA -0.153 4.197 4.320 0.050 0.000 0.220 410 A C 2.065 179.844 177.584 0.325 0.000 1.160 410 A CA 1.165 53.363 52.037 0.268 0.000 0.653 410 A CB -0.696 18.509 19.000 0.342 0.000 0.801 410 A HN 0.556 nan 8.150 nan 0.000 0.455 411 L N -0.872 120.495 121.223 0.239 0.000 2.551 411 L HA 0.009 4.379 4.340 0.050 0.000 0.228 411 L C 1.513 178.474 176.870 0.151 0.000 1.153 411 L CA 0.300 55.249 54.840 0.181 0.000 0.851 411 L CB -0.263 41.877 42.059 0.135 0.000 0.959 411 L HN 0.361 nan 8.230 nan 0.000 0.451 412 L N -1.544 119.773 121.223 0.156 0.000 2.607 412 L HA 0.127 4.497 4.340 0.050 0.000 0.228 412 L C -0.131 176.658 176.870 -0.134 0.000 1.123 412 L CA -0.109 54.713 54.840 -0.029 0.000 0.890 412 L CB 0.108 42.061 42.059 -0.177 0.000 1.103 412 L HN 0.049 nan 8.230 nan 0.000 0.468 413 F N 1.059 121.001 119.950 -0.013 0.000 2.309 413 F HA 0.200 4.757 4.527 0.050 0.000 0.366 413 F C 1.129 177.036 175.800 0.177 0.000 1.104 413 F CA -0.983 57.023 58.000 0.009 0.000 1.179 413 F CB 0.635 39.604 39.000 -0.052 0.000 1.437 413 F HN -0.096 nan 8.300 nan 0.000 0.528 414 S N 1.058 116.967 115.700 0.348 0.000 2.572 414 S HA 0.097 4.596 4.470 0.050 0.000 0.279 414 S C 1.132 175.903 174.600 0.285 0.000 1.341 414 S CA -0.616 57.742 58.200 0.264 0.000 1.043 414 S CB 0.990 64.298 63.200 0.181 0.000 0.887 414 S HN 0.707 nan 8.310 nan 0.000 0.516 415 E N 0.921 121.252 120.200 0.219 0.000 2.265 415 E HA -0.163 4.217 4.350 0.050 0.000 0.196 415 E C 0.873 177.558 176.600 0.143 0.000 0.996 415 E CA 1.067 57.580 56.400 0.188 0.000 0.832 415 E CB -0.075 29.730 29.700 0.174 0.000 0.756 415 E HN 0.681 nan 8.360 nan 0.000 0.491 416 D N 0.709 121.182 120.400 0.121 0.000 2.117 416 D HA -0.117 4.553 4.640 0.050 0.000 0.198 416 D C 1.226 177.536 176.300 0.017 0.000 0.982 416 D CA 1.073 55.113 54.000 0.067 0.000 0.828 416 D CB 0.014 40.846 40.800 0.053 0.000 0.967 416 D HN 0.191 nan 8.370 nan 0.000 0.464 417 D N -1.764 118.635 120.400 -0.002 0.000 2.423 417 D HA 0.030 4.700 4.640 0.050 0.000 0.208 417 D C -0.043 175.994 176.300 -0.438 0.000 1.068 417 D CA 0.166 54.022 54.000 -0.241 0.000 0.860 417 D CB 1.007 41.602 40.800 -0.343 0.000 0.992 417 D HN 0.218 nan 8.370 nan 0.000 0.504 418 Y N -0.016 120.373 120.300 0.149 0.000 2.581 418 Y HA 0.437 5.017 4.550 0.050 0.000 0.345 418 Y C 0.029 176.034 175.900 0.176 0.000 1.036 418 Y CA -1.038 57.187 58.100 0.209 0.000 1.042 418 Y CB 1.567 40.257 38.460 0.383 0.000 1.289 418 Y HN -0.487 nan 8.280 nan 0.000 0.471 419 R N 1.458 122.163 120.500 0.343 0.000 2.275 419 R HA 0.616 4.986 4.340 0.050 0.000 0.326 419 R C -1.652 174.755 176.300 0.178 0.000 0.973 419 R CA -0.573 55.658 56.100 0.218 0.000 0.854 419 R CB 1.179 31.583 30.300 0.175 0.000 1.156 419 R HN 0.343 nan 8.270 nan 0.000 0.487 420 V N 2.638 122.640 119.914 0.146 0.000 2.398 420 V HA 0.713 4.863 4.120 0.050 0.000 0.286 420 V C 0.557 176.714 176.094 0.105 0.000 1.026 420 V CA -0.516 61.835 62.300 0.085 0.000 0.868 420 V CB 1.580 33.458 31.823 0.091 0.000 0.982 420 V HN 0.947 nan 8.190 nan 0.000 0.443 421 G N 2.605 111.483 108.800 0.129 0.000 2.921 421 G HA2 0.818 4.807 3.960 0.050 0.000 0.291 421 G HA3 0.818 4.807 3.960 0.050 0.000 0.291 421 G C -0.664 174.342 174.900 0.176 0.000 1.370 421 G CA -0.354 44.831 45.100 0.143 0.000 0.847 421 G HN 1.022 nan 8.290 nan 0.000 0.532 422 G N -1.092 107.784 108.800 0.126 0.000 2.638 422 G HA2 0.559 4.549 3.960 0.050 0.000 0.302 422 G HA3 0.559 4.549 3.960 0.050 0.000 0.302 422 G C -1.060 173.910 174.900 0.117 0.000 1.365 422 G CA -0.311 44.861 45.100 0.119 0.000 0.987 422 G HN 0.571 nan 8.290 nan 0.000 0.495 423 T N 1.029 115.648 114.554 0.108 0.000 2.779 423 T HA 0.473 4.853 4.350 0.050 0.000 0.280 423 T C -0.045 174.591 174.700 -0.107 0.000 0.987 423 T CA -0.332 61.762 62.100 -0.009 0.000 0.966 423 T CB 1.672 70.517 68.868 -0.038 0.000 0.933 423 T HN 0.354 nan 8.240 nan 0.000 0.442 424 V N 4.916 124.699 119.914 -0.219 0.000 2.364 424 V HA 0.479 4.629 4.120 0.050 0.000 0.272 424 V C -0.485 175.434 176.094 -0.292 0.000 1.036 424 V CA -0.597 61.602 62.300 -0.168 0.000 0.880 424 V CB -0.135 31.605 31.823 -0.138 0.000 0.991 424 V HN 0.733 nan 8.190 nan 0.000 0.460 425 F N 1.435 121.370 119.950 -0.026 0.000 2.518 425 F HA 0.487 5.044 4.527 0.050 0.000 0.338 425 F C 0.940 176.736 175.800 -0.007 0.000 1.065 425 F CA -1.037 56.964 58.000 0.000 0.000 1.012 425 F CB 0.864 39.878 39.000 0.024 0.000 1.297 425 F HN 0.401 nan 8.300 nan 0.000 0.489 426 E N 0.384 120.742 120.200 0.263 0.000 2.413 426 E HA 0.062 4.442 4.350 0.050 0.000 0.263 426 E C 0.781 177.502 176.600 0.202 0.000 1.015 426 E CA 0.007 56.522 56.400 0.193 0.000 0.916 426 E CB 0.604 30.451 29.700 0.245 0.000 0.947 426 E HN 0.467 nan 8.360 nan 0.000 0.440 427 R N 1.649 122.242 120.500 0.155 0.000 2.127 427 R HA -0.179 4.191 4.340 0.050 0.000 0.238 427 R C 1.953 178.421 176.300 0.280 0.000 1.134 427 R CA 1.090 57.303 56.100 0.188 0.000 0.975 427 R CB -0.275 30.126 30.300 0.167 0.000 0.865 427 R HN 0.579 nan 8.270 nan 0.000 0.447 428 F N 1.790 121.828 119.950 0.145 0.000 2.333 428 F HA -0.181 4.373 4.527 0.046 0.000 0.300 428 F C 2.149 178.022 175.800 0.121 0.000 1.083 428 F CA 1.486 59.563 58.000 0.128 0.000 1.395 428 F CB -0.086 38.975 39.000 0.102 0.000 1.056 428 F HN -0.041 nan 8.300 nan 0.000 0.529 429 S N -1.353 114.408 115.700 0.101 0.000 2.561 429 S HA -0.127 4.373 4.470 0.050 0.000 0.225 429 S C 0.405 174.994 174.600 -0.019 0.000 0.977 429 S CA -0.130 58.057 58.200 -0.021 0.000 0.926 429 S CB -0.990 62.226 63.200 0.027 0.000 0.769 429 S HN 0.385 nan 8.310 nan 0.000 0.533 430 Y N 3.036 123.278 120.300 -0.097 0.000 2.454 430 Y HA 0.472 5.053 4.550 0.052 0.000 0.345 430 Y C -0.012 175.851 175.900 -0.061 0.000 0.970 430 Y CA -1.207 56.840 58.100 -0.087 0.000 1.204 430 Y CB 0.454 38.877 38.460 -0.061 0.000 1.122 430 Y HN 0.227 nan 8.280 nan 0.000 0.514 431 Q N 8.078 127.668 119.800 -0.350 0.000 2.506 431 Q HA 0.263 4.633 4.340 0.050 0.000 0.380 431 Q C -2.651 173.168 176.000 -0.302 0.000 0.867 431 Q CA -1.937 53.694 55.803 -0.287 0.000 1.093 431 Q CB 0.935 29.544 28.738 -0.214 0.000 1.388 431 Q HN 0.496 nan 8.270 nan 0.000 0.400 432 P HA 0.054 nan 4.420 nan 0.000 0.275 432 P C -0.203 176.974 177.300 -0.206 0.000 1.228 432 P CA -0.138 62.718 63.100 -0.406 0.000 0.786 432 P CB 1.546 32.891 31.700 -0.592 0.000 0.927 433 V N 4.282 124.084 119.914 -0.187 0.000 2.277 433 V HA 0.175 4.325 4.120 0.050 0.000 0.269 433 V C 1.308 177.340 176.094 -0.105 0.000 1.036 433 V CA 0.099 62.331 62.300 -0.114 0.000 0.821 433 V CB 0.308 32.057 31.823 -0.123 0.000 1.052 433 V HN 0.709 nan 8.190 nan 0.000 0.462 434 K N 1.955 122.327 120.400 -0.047 0.000 2.544 434 K HA 0.329 4.679 4.320 0.050 0.000 0.213 434 K C 0.162 176.770 176.600 0.013 0.000 1.392 434 K CA -0.426 55.844 56.287 -0.028 0.000 0.980 434 K CB 0.740 33.212 32.500 -0.047 0.000 1.177 434 K HN 0.462 nan 8.250 nan 0.000 0.570 435 N N 2.264 120.986 118.700 0.036 0.000 2.417 435 N HA 0.141 4.911 4.740 0.050 0.000 0.300 435 N C -0.563 174.975 175.510 0.047 0.000 1.102 435 N CA -0.279 52.800 53.050 0.049 0.000 0.886 435 N CB 1.982 40.508 38.487 0.065 0.000 1.203 435 N HN 0.281 nan 8.380 nan 0.000 0.496 436 S N 0.508 116.237 115.700 0.050 0.000 2.608 436 S HA 0.123 4.622 4.470 0.050 0.000 0.261 436 S C 1.443 176.086 174.600 0.071 0.000 1.314 436 S CA -0.496 57.734 58.200 0.050 0.000 0.992 436 S CB 0.581 63.809 63.200 0.048 0.000 0.935 436 S HN 0.383 nan 8.310 nan 0.000 0.564 437 L N 1.319 122.582 121.223 0.067 0.000 2.042 437 L HA -0.066 4.304 4.340 0.050 0.000 0.210 437 L C 2.663 179.602 176.870 0.115 0.000 1.076 437 L CA 1.860 56.759 54.840 0.098 0.000 0.749 437 L CB -1.384 40.700 42.059 0.040 0.000 0.893 437 L HN 0.874 nan 8.230 nan 0.000 0.432 438 E N -0.816 119.430 120.200 0.077 0.000 2.058 438 E HA -0.257 4.123 4.350 0.050 0.000 0.194 438 E C 2.030 178.679 176.600 0.082 0.000 0.997 438 E CA 1.550 57.994 56.400 0.073 0.000 0.801 438 E CB -0.137 29.595 29.700 0.052 0.000 0.746 438 E HN 0.583 nan 8.360 nan 0.000 0.450 439 E N 0.703 120.947 120.200 0.074 0.000 2.051 439 E HA -0.199 4.181 4.350 0.050 0.000 0.192 439 E C 2.091 178.733 176.600 0.069 0.000 0.991 439 E CA 0.998 57.438 56.400 0.066 0.000 0.799 439 E CB -0.163 29.572 29.700 0.058 0.000 0.748 439 E HN 0.241 nan 8.360 nan 0.000 0.449 440 A N 1.492 124.366 122.820 0.090 0.000 1.908 440 A HA -0.182 4.168 4.320 0.050 0.000 0.218 440 A C 2.407 180.046 177.584 0.092 0.000 1.181 440 A CA 1.832 53.907 52.037 0.063 0.000 0.627 440 A CB -0.779 18.298 19.000 0.129 0.000 0.818 440 A HN 0.307 nan 8.150 nan 0.000 0.445 441 A N -0.543 122.415 122.820 0.229 0.000 1.883 441 A HA 0.087 4.437 4.320 0.050 0.000 0.217 441 A C 2.435 180.090 177.584 0.118 0.000 1.186 441 A CA 2.044 54.227 52.037 0.244 0.000 0.624 441 A CB -1.418 17.700 19.000 0.197 0.000 0.822 441 A HN 0.763 nan 8.150 nan 0.000 0.444 442 G N -0.418 108.431 108.800 0.082 0.000 2.402 442 G HA2 -0.121 3.869 3.960 0.050 0.000 0.216 442 G HA3 -0.121 3.869 3.960 0.050 0.000 0.216 442 G C 1.567 176.486 174.900 0.032 0.000 1.162 442 G CA 0.983 46.116 45.100 0.055 0.000 0.777 442 G HN 0.426 nan 8.290 nan 0.000 0.539 443 L N 0.168 121.400 121.223 0.016 0.000 2.056 443 L HA -0.062 4.308 4.340 0.050 0.000 0.207 443 L C 2.969 179.812 176.870 -0.046 0.000 1.078 443 L CA 0.423 55.256 54.840 -0.012 0.000 0.749 443 L CB -0.401 41.644 42.059 -0.023 0.000 0.901 443 L HN 0.079 nan 8.230 nan 0.000 0.433 444 V N 0.012 119.876 119.914 -0.084 0.000 2.490 444 V HA -0.266 3.884 4.120 0.050 0.000 0.250 444 V C 2.692 178.767 176.094 -0.031 0.000 1.061 444 V CA 1.661 63.891 62.300 -0.117 0.000 1.064 444 V CB -0.732 30.967 31.823 -0.208 0.000 0.670 444 V HN 0.478 nan 8.190 nan 0.000 0.461 445 A N -0.783 122.043 122.820 0.010 0.000 1.972 445 A HA -0.247 4.103 4.320 0.050 0.000 0.219 445 A C 2.079 179.671 177.584 0.014 0.000 1.169 445 A CA 1.522 53.574 52.037 0.025 0.000 0.635 445 A CB -0.378 18.646 19.000 0.039 0.000 0.810 445 A HN 0.634 nan 8.150 nan 0.000 0.446 446 Q N -1.551 118.253 119.800 0.008 0.000 2.444 446 Q HA 0.235 4.605 4.340 0.050 0.000 0.206 446 Q C 1.086 177.086 176.000 0.000 0.000 0.948 446 Q CA 0.355 56.163 55.803 0.009 0.000 0.946 446 Q CB 0.044 28.791 28.738 0.015 0.000 1.027 446 Q HN 0.874 nan 8.270 nan 0.000 0.513 447 G N 1.115 109.908 108.800 -0.013 0.000 2.143 447 G HA2 -0.267 3.723 3.960 0.050 0.000 0.249 447 G HA3 -0.267 3.723 3.960 0.050 0.000 0.249 447 G C -0.216 174.668 174.900 -0.026 0.000 0.981 447 G CA 0.186 45.273 45.100 -0.020 0.000 0.665 447 G HN 0.382 nan 8.290 nan 0.000 0.528 448 N N -0.177 118.504 118.700 -0.031 0.000 2.458 448 N HA 0.563 5.333 4.740 0.050 0.000 0.271 448 N C 0.791 176.239 175.510 -0.104 0.000 1.210 448 N CA 0.163 53.198 53.050 -0.025 0.000 0.978 448 N CB 0.657 39.150 38.487 0.010 0.000 1.206 448 N HN 0.379 nan 8.380 nan 0.000 0.536 449 G N -1.010 107.719 108.800 -0.118 0.000 2.406 449 G HA2 0.350 4.340 3.960 0.050 0.000 0.251 449 G HA3 0.350 4.340 3.960 0.050 0.000 0.251 449 G C 0.645 175.276 174.900 -0.448 0.000 1.271 449 G CA -0.308 44.541 45.100 -0.419 0.000 0.859 449 G HN 0.639 nan 8.290 nan 0.000 0.540 450 A N 2.612 125.097 122.820 -0.558 0.000 1.898 450 A HA 0.169 4.519 4.320 0.050 0.000 0.214 450 A C 1.004 178.473 177.584 -0.191 0.000 1.183 450 A CA 0.837 52.648 52.037 -0.377 0.000 0.622 450 A CB -0.625 18.049 19.000 -0.543 0.000 0.824 450 A HN 1.079 nan 8.150 nan 0.000 0.444 451 Y N -1.450 118.783 120.300 -0.113 0.000 3.037 451 Y HA -0.256 4.327 4.550 0.054 0.000 0.204 451 Y C 0.953 176.802 175.900 -0.084 0.000 1.275 451 Y CA -0.298 57.730 58.100 -0.120 0.000 1.066 451 Y CB -2.880 35.496 38.460 -0.140 0.000 1.305 451 Y HN 0.705 nan 8.280 nan 0.000 0.499 452 C N -3.729 115.597 119.300 0.042 0.000 2.656 452 C HA 0.924 5.414 4.460 0.050 0.000 0.404 452 C C 1.963 176.971 174.990 0.029 0.000 1.423 452 C CA -0.410 58.638 59.018 0.051 0.000 1.784 452 C CB 1.251 29.053 27.740 0.103 0.000 2.093 452 C HN 0.625 nan 8.230 nan 0.000 0.492 453 A N 0.279 123.098 122.820 -0.001 0.000 1.933 453 A HA 0.183 4.533 4.320 0.050 0.000 0.218 453 A C 2.286 179.869 177.584 -0.002 0.000 1.175 453 A CA 2.460 54.468 52.037 -0.047 0.000 0.628 453 A CB -1.339 17.587 19.000 -0.123 0.000 0.814 453 A HN 1.591 nan 8.150 nan 0.000 0.444 454 A N -0.195 122.671 122.820 0.077 0.000 1.877 454 A HA -0.119 4.231 4.320 0.050 0.000 0.216 454 A C 2.446 180.176 177.584 0.242 0.000 1.186 454 A CA 2.583 54.776 52.037 0.260 0.000 0.620 454 A CB -1.339 17.875 19.000 0.355 0.000 0.822 454 A HN 0.769 nan 8.150 nan 0.000 0.443 455 T N -3.134 111.520 114.554 0.167 0.000 2.985 455 T HA 0.150 4.530 4.350 0.050 0.000 0.266 455 T C 1.849 176.564 174.700 0.026 0.000 1.076 455 T CA 1.283 63.436 62.100 0.089 0.000 1.135 455 T CB -0.542 68.318 68.868 -0.013 0.000 0.890 455 T HN 0.386 nan 8.240 nan 0.000 0.480 456 G N 1.445 110.250 108.800 0.009 0.000 2.433 456 G HA2 -0.211 3.779 3.960 0.050 0.000 0.216 456 G HA3 -0.211 3.779 3.960 0.050 0.000 0.216 456 G C 1.429 176.286 174.900 -0.073 0.000 1.186 456 G CA 0.907 45.988 45.100 -0.032 0.000 0.779 456 G HN 0.643 nan 8.290 nan 0.000 0.543 457 E N 0.451 120.603 120.200 -0.081 0.000 2.077 457 E HA -0.016 4.364 4.350 0.050 0.000 0.193 457 E C 2.758 179.204 176.600 -0.256 0.000 0.989 457 E CA 1.069 57.339 56.400 -0.217 0.000 0.800 457 E CB -0.283 29.366 29.700 -0.084 0.000 0.746 457 E HN 0.317 nan 8.360 nan 0.000 0.452 458 A N 1.196 124.005 122.820 -0.018 0.000 1.902 458 A HA -0.121 4.229 4.320 0.050 0.000 0.217 458 A C 2.416 180.046 177.584 0.075 0.000 1.181 458 A CA 1.892 53.968 52.037 0.065 0.000 0.623 458 A CB -0.863 18.206 19.000 0.115 0.000 0.818 458 A HN 0.432 nan 8.150 nan 0.000 0.443 459 A N -1.450 121.398 122.820 0.047 0.000 1.972 459 A HA -0.019 4.331 4.320 0.050 0.000 0.219 459 A C 2.023 179.604 177.584 -0.005 0.000 1.169 459 A CA 1.514 53.579 52.037 0.046 0.000 0.635 459 A CB -0.667 18.249 19.000 -0.141 0.000 0.810 459 A HN 0.650 nan 8.150 nan 0.000 0.446 460 F N -0.435 119.381 119.950 -0.223 0.000 2.102 460 F HA -0.181 4.374 4.527 0.046 0.000 0.298 460 F C 2.126 177.864 175.800 -0.103 0.000 1.105 460 F CA 1.736 59.587 58.000 -0.249 0.000 1.239 460 F CB -0.372 38.371 39.000 -0.429 0.000 0.991 460 F HN 0.305 nan 8.300 nan 0.000 0.474 461 Y N 0.554 120.888 120.300 0.057 0.000 2.165 461 Y HA -0.205 4.371 4.550 0.043 0.000 0.286 461 Y C 2.535 178.361 175.900 -0.124 0.000 1.155 461 Y CA 1.549 59.606 58.100 -0.071 0.000 1.164 461 Y CB -1.403 37.016 38.460 -0.068 0.000 0.978 461 Y HN 0.193 nan 8.280 nan 0.000 0.513 462 E N 0.528 120.813 120.200 0.141 0.000 2.077 462 E HA -0.182 4.198 4.350 0.050 0.000 0.193 462 E C 2.117 178.808 176.600 0.152 0.000 0.989 462 E CA 0.952 57.431 56.400 0.133 0.000 0.800 462 E CB -0.657 29.188 29.700 0.243 0.000 0.746 462 E HN 0.325 nan 8.360 nan 0.000 0.452 463 L N 0.655 122.027 121.223 0.248 0.000 2.013 463 L HA -0.242 4.128 4.340 0.050 0.000 0.212 463 L C 2.056 178.910 176.870 -0.027 0.000 1.073 463 L CA 1.991 56.948 54.840 0.195 0.000 0.753 463 L CB -0.724 41.325 42.059 -0.016 0.000 0.890 463 L HN 0.160 nan 8.230 nan 0.000 0.432 464 Q N -0.053 119.635 119.800 -0.187 0.000 2.084 464 Q HA -0.199 4.171 4.340 0.050 0.000 0.202 464 Q C 2.355 178.301 176.000 -0.089 0.000 0.978 464 Q CA 1.831 57.536 55.803 -0.164 0.000 0.844 464 Q CB -0.526 28.095 28.738 -0.196 0.000 0.898 464 Q HN 0.604 nan 8.270 nan 0.000 0.426 465 R N 0.399 120.845 120.500 -0.090 0.000 2.075 465 R HA -0.006 4.364 4.340 0.050 0.000 0.232 465 R C 2.444 178.721 176.300 -0.039 0.000 1.126 465 R CA 0.927 56.971 56.100 -0.094 0.000 0.963 465 R CB -0.171 30.027 30.300 -0.170 0.000 0.858 465 R HN 0.222 nan 8.270 nan 0.000 0.435 466 R N 0.168 120.656 120.500 -0.019 0.000 2.092 466 R HA -0.013 4.357 4.340 0.050 0.000 0.231 466 R C 2.329 178.643 176.300 0.023 0.000 1.119 466 R CA 0.896 56.981 56.100 -0.026 0.000 0.970 466 R CB -0.111 30.153 30.300 -0.060 0.000 0.864 466 R HN 0.110 nan 8.270 nan 0.000 0.440 467 R N 0.791 121.309 120.500 0.030 0.000 2.075 467 R HA -0.054 4.316 4.340 0.050 0.000 0.232 467 R C 2.314 178.619 176.300 0.009 0.000 1.126 467 R CA 1.080 57.204 56.100 0.040 0.000 0.963 467 R CB -0.590 29.732 30.300 0.036 0.000 0.858 467 R HN 0.278 nan 8.270 nan 0.000 0.435 468 L N 0.706 121.909 121.223 -0.034 0.000 2.109 468 L HA -0.105 4.265 4.340 0.050 0.000 0.207 468 L C 2.388 179.189 176.870 -0.114 0.000 1.086 468 L CA 1.228 56.015 54.840 -0.089 0.000 0.760 468 L CB -0.309 41.645 42.059 -0.174 0.000 0.910 468 L HN 0.111 nan 8.230 nan 0.000 0.437 469 K N 0.154 120.495 120.400 -0.098 0.000 2.147 469 K HA -0.144 4.206 4.320 0.050 0.000 0.205 469 K C 2.115 178.678 176.600 -0.061 0.000 1.049 469 K CA 1.252 57.475 56.287 -0.106 0.000 0.936 469 K CB -0.215 32.221 32.500 -0.106 0.000 0.722 469 K HN 0.281 nan 8.250 nan 0.000 0.446 470 A N 1.604 124.415 122.820 -0.015 0.000 2.067 470 A HA -0.104 4.246 4.320 0.050 0.000 0.219 470 A C 1.951 179.539 177.584 0.005 0.000 1.158 470 A CA 1.125 53.173 52.037 0.018 0.000 0.661 470 A CB -0.603 18.430 19.000 0.055 0.000 0.801 470 A HN 0.473 nan 8.150 nan 0.000 0.452 471 I N -5.696 114.869 120.570 -0.008 0.000 3.956 471 I HA 0.559 4.759 4.170 0.050 0.000 0.333 471 I C 1.072 177.177 176.117 -0.021 0.000 1.302 471 I CA 0.622 61.922 61.300 0.001 0.000 1.122 471 I CB 0.357 38.373 38.000 0.027 0.000 1.013 471 I HN 0.242 nan 8.210 nan 0.000 0.405 472 G N 1.450 110.218 108.800 -0.052 0.000 2.184 472 G HA2 -0.208 3.782 3.960 0.050 0.000 0.206 472 G HA3 -0.208 3.782 3.960 0.050 0.000 0.206 472 G C -0.175 174.655 174.900 -0.117 0.000 0.995 472 G CA -0.122 44.939 45.100 -0.066 0.000 0.651 472 G HN 0.286 nan 8.290 nan 0.000 0.511 473 L N 3.344 124.461 121.223 -0.176 0.000 2.500 473 L HA 0.449 4.819 4.340 0.050 0.000 0.272 473 L C -1.507 175.218 176.870 -0.242 0.000 1.149 473 L CA -1.629 53.051 54.840 -0.266 0.000 0.897 473 L CB 0.256 42.066 42.059 -0.415 0.000 1.178 473 L HN 0.013 nan 8.230 nan 0.000 0.473 474 P HA 0.109 nan 4.420 nan 0.000 0.244 474 P C -0.905 176.195 177.300 -0.333 0.000 1.769 474 P CA -0.019 62.919 63.100 -0.270 0.000 1.102 474 P CB -0.138 31.555 31.700 -0.011 0.000 1.937 475 L N 3.670 124.665 121.223 -0.378 0.000 2.260 475 L HA 0.374 4.744 4.340 0.050 0.000 0.289 475 L C 0.149 176.827 176.870 -0.319 0.000 1.057 475 L CA -0.613 54.112 54.840 -0.191 0.000 0.811 475 L CB 0.036 42.085 42.059 -0.016 0.000 1.184 475 L HN 0.131 nan 8.230 nan 0.000 0.429 476 F N 4.279 124.275 119.950 0.076 0.000 2.388 476 F HA 0.504 5.059 4.527 0.047 0.000 0.358 476 F C -0.062 175.789 175.800 0.084 0.000 1.122 476 F CA -0.680 57.319 58.000 -0.001 0.000 1.056 476 F CB 0.892 39.880 39.000 -0.019 0.000 1.155 476 F HN 0.287 nan 8.300 nan 0.000 0.461 477 Y N -0.306 120.029 120.300 0.058 0.000 2.581 477 Y HA 0.595 5.173 4.550 0.046 0.000 0.337 477 Y C -0.535 175.360 175.900 -0.009 0.000 1.108 477 Y CA -1.613 56.480 58.100 -0.011 0.000 1.033 477 Y CB 0.831 39.256 38.460 -0.057 0.000 1.318 477 Y HN 0.365 nan 8.280 nan 0.000 0.459 478 S N 0.613 116.377 115.700 0.107 0.000 2.579 478 S HA 0.202 4.702 4.470 0.050 0.000 0.275 478 S C 1.005 175.655 174.600 0.083 0.000 1.345 478 S CA 0.153 58.382 58.200 0.047 0.000 1.031 478 S CB 0.406 63.638 63.200 0.054 0.000 0.892 478 S HN 1.040 nan 8.310 nan 0.000 0.529 479 S N 2.938 118.651 115.700 0.022 0.000 2.575 479 S HA 0.172 4.671 4.470 0.050 0.000 0.215 479 S C 0.390 175.026 174.600 0.061 0.000 0.966 479 S CA -0.363 57.861 58.200 0.040 0.000 0.911 479 S CB -0.042 63.149 63.200 -0.015 0.000 0.780 479 S HN 0.727 nan 8.310 nan 0.000 0.514 480 Q N 3.051 122.886 119.800 0.060 0.000 2.373 480 Q HA 0.334 4.704 4.340 0.050 0.000 0.255 480 Q C -2.445 173.600 176.000 0.076 0.000 0.980 480 Q CA -1.773 54.066 55.803 0.061 0.000 0.882 480 Q CB 0.065 28.835 28.738 0.054 0.000 1.249 480 Q HN 0.300 nan 8.270 nan 0.000 0.438 481 P HA 0.081 nan 4.420 nan 0.000 0.272 481 P C -0.472 176.869 177.300 0.068 0.000 1.223 481 P CA 0.066 63.210 63.100 0.073 0.000 0.784 481 P CB 0.826 32.571 31.700 0.076 0.000 0.923 482 E N -0.102 120.134 120.200 0.061 0.000 2.473 482 E HA 0.207 4.587 4.350 0.050 0.000 0.204 482 E C 0.098 176.726 176.600 0.047 0.000 0.994 482 E CA -0.059 56.386 56.400 0.074 0.000 0.945 482 E CB 0.974 30.749 29.700 0.126 0.000 0.990 482 E HN 0.151 nan 8.360 nan 0.000 0.493 483 V N 0.878 120.798 119.914 0.009 0.000 3.087 483 V HA 0.371 4.521 4.120 0.050 0.000 0.306 483 V C -1.398 174.695 176.094 -0.002 0.000 1.187 483 V CA -0.586 61.716 62.300 0.003 0.000 0.999 483 V CB 2.296 34.088 31.823 -0.051 0.000 1.049 483 V HN 0.184 nan 8.190 nan 0.000 0.431 484 T N 2.738 117.291 114.554 -0.003 0.000 2.829 484 T HA 0.831 5.210 4.350 0.050 0.000 0.280 484 T C -0.409 174.232 174.700 -0.099 0.000 0.999 484 T CA -0.152 61.914 62.100 -0.057 0.000 0.983 484 T CB 1.407 70.254 68.868 -0.035 0.000 0.968 484 T HN 1.568 nan 8.240 nan 0.000 0.446 485 V N -0.764 118.988 119.914 -0.269 0.000 3.158 485 V HA 0.932 5.082 4.120 0.050 0.000 0.315 485 V C 0.568 176.436 176.094 -0.375 0.000 1.148 485 V CA -0.972 61.158 62.300 -0.283 0.000 1.042 485 V CB 0.603 32.259 31.823 -0.277 0.000 1.101 485 V HN 2.275 nan 8.190 nan 0.000 0.448 486 A N 1.313 123.994 122.820 -0.230 0.000 2.416 486 A HA -0.123 4.227 4.320 0.050 0.000 0.293 486 A C 0.705 178.239 177.584 -0.083 0.000 1.452 486 A CA 0.984 52.940 52.037 -0.136 0.000 0.738 486 A CB -2.093 16.832 19.000 -0.125 0.000 1.123 486 A HN 1.569 nan 8.150 nan 0.000 0.389 487 K N -0.125 120.243 120.400 -0.054 0.000 3.156 487 K HA -0.238 4.112 4.320 0.050 0.000 0.266 487 K C 0.072 176.658 176.600 -0.025 0.000 0.966 487 K CA 1.212 57.485 56.287 -0.024 0.000 0.719 487 K CB -1.595 30.904 32.500 -0.002 0.000 1.333 487 K HN 1.243 nan 8.250 nan 0.000 0.468 488 D N -2.977 117.393 120.400 -0.051 0.000 2.945 488 D HA -0.240 4.430 4.640 0.050 0.000 0.225 488 D C 1.033 177.325 176.300 -0.014 0.000 1.158 488 D CA 1.301 55.281 54.000 -0.034 0.000 0.805 488 D CB -1.092 39.707 40.800 -0.003 0.000 1.098 488 D HN 0.604 nan 8.370 nan 0.000 0.426 489 A N -0.600 122.199 122.820 -0.035 0.000 1.898 489 A HA 0.314 4.664 4.320 0.050 0.000 0.214 489 A C 0.833 178.536 177.584 0.197 0.000 1.183 489 A CA 1.515 53.601 52.037 0.082 0.000 0.622 489 A CB 0.037 19.126 19.000 0.149 0.000 0.824 489 A HN 0.442 nan 8.150 nan 0.000 0.444 490 F N -4.366 115.604 119.950 0.033 0.000 2.686 490 F HA 0.709 5.284 4.527 0.081 0.000 0.311 490 F C -0.185 175.641 175.800 0.043 0.000 1.128 490 F CA -0.841 57.178 58.000 0.031 0.000 0.946 490 F CB 0.692 39.705 39.000 0.022 0.000 1.336 490 F HN 0.161 nan 8.300 nan 0.000 0.457 491 G N 0.199 109.139 108.800 0.234 0.000 2.511 491 G HA2 0.744 4.734 3.960 0.050 0.000 0.318 491 G HA3 0.744 4.734 3.960 0.050 0.000 0.318 491 G C -1.474 173.555 174.900 0.216 0.000 1.210 491 G CA -0.656 44.520 45.100 0.126 0.000 0.969 491 G HN 1.527 nan 8.290 nan 0.000 0.484 492 V N -1.678 118.311 119.914 0.124 0.000 3.130 492 V HA 0.931 5.081 4.120 0.050 0.000 0.310 492 V C -0.514 175.604 176.094 0.039 0.000 1.158 492 V CA -1.369 60.999 62.300 0.113 0.000 1.029 492 V CB 1.829 33.736 31.823 0.139 0.000 1.057 492 V HN 1.200 nan 8.190 nan 0.000 0.436 493 R N 1.618 122.150 120.500 0.054 0.000 2.832 493 R HA 0.795 5.164 4.340 0.050 0.000 0.271 493 R C -0.807 175.503 176.300 0.018 0.000 0.996 493 R CA -0.890 55.235 56.100 0.043 0.000 0.977 493 R CB 2.113 32.466 30.300 0.089 0.000 1.168 493 R HN 0.698 nan 8.270 nan 0.000 0.482 494 L N -0.034 121.169 121.223 -0.033 0.000 2.624 494 L HA 0.379 4.749 4.340 0.050 0.000 0.222 494 L C -0.096 176.535 176.870 -0.398 0.000 1.046 494 L CA -0.155 54.584 54.840 -0.168 0.000 0.872 494 L CB 0.271 42.073 42.059 -0.428 0.000 1.190 494 L HN 0.458 nan 8.230 nan 0.000 0.487 495 F N 1.668 121.527 119.950 -0.153 0.000 2.377 495 F HA 0.369 4.914 4.527 0.031 0.000 0.328 495 F C -1.955 173.653 175.800 -0.320 0.000 1.094 495 F CA -2.542 55.321 58.000 -0.228 0.000 1.093 495 F CB 0.188 39.106 39.000 -0.136 0.000 1.214 495 F HN -0.242 nan 8.300 nan 0.000 0.518 496 P HA 0.204 nan 4.420 nan 0.000 0.279 496 P C -0.574 176.546 177.300 -0.300 0.000 1.239 496 P CA 0.058 63.081 63.100 -0.130 0.000 0.789 496 P CB 1.012 32.597 31.700 -0.191 0.000 0.933 497 I N 4.385 124.752 120.570 -0.337 0.000 2.312 497 I HA 0.300 4.500 4.170 0.050 0.000 0.291 497 I C 0.420 176.360 176.117 -0.295 0.000 1.031 497 I CA -0.281 60.684 61.300 -0.559 0.000 1.293 497 I CB 0.252 37.772 38.000 -0.801 0.000 1.403 497 I HN 0.127 nan 8.210 nan 0.000 0.484 498 I N 7.466 127.928 120.570 -0.179 0.000 2.468 498 I HA 0.348 4.548 4.170 0.050 0.000 0.284 498 I C -0.909 175.231 176.117 0.040 0.000 1.038 498 I CA -0.622 60.635 61.300 -0.071 0.000 1.083 498 I CB 1.848 39.803 38.000 -0.075 0.000 1.223 498 I HN 0.142 nan 8.210 nan 0.000 0.443 499 V N 7.213 127.175 119.914 0.079 0.000 2.443 499 V HA 0.475 4.625 4.120 0.050 0.000 0.293 499 V C -0.181 175.991 176.094 0.130 0.000 1.021 499 V CA -0.480 61.925 62.300 0.175 0.000 0.848 499 V CB 1.966 33.940 31.823 0.250 0.000 0.998 499 V HN 0.477 nan 8.190 nan 0.000 0.424 500 L N 4.687 125.992 121.223 0.138 0.000 2.307 500 L HA 0.606 4.976 4.340 0.050 0.000 0.284 500 L C 0.101 177.039 176.870 0.113 0.000 1.023 500 L CA -0.743 54.157 54.840 0.100 0.000 0.810 500 L CB 1.697 43.810 42.059 0.089 0.000 1.231 500 L HN 0.715 nan 8.230 nan 0.000 0.423 501 D N 0.107 120.555 120.400 0.079 0.000 2.414 501 D HA 0.036 4.706 4.640 0.050 0.000 0.251 501 D C 1.110 177.448 176.300 0.063 0.000 1.252 501 D CA -0.113 53.933 54.000 0.077 0.000 0.999 501 D CB 0.712 41.544 40.800 0.052 0.000 1.093 501 D HN 0.650 nan 8.370 nan 0.000 0.515 502 T N -2.610 111.974 114.554 0.051 0.000 2.995 502 T HA -0.055 4.325 4.350 0.050 0.000 0.269 502 T C 1.855 176.565 174.700 0.016 0.000 1.091 502 T CA 0.865 62.991 62.100 0.043 0.000 1.128 502 T CB -0.581 68.302 68.868 0.025 0.000 0.891 502 T HN 0.229 nan 8.240 nan 0.000 0.492 503 V N 0.764 120.683 119.914 0.008 0.000 2.379 503 V HA -0.107 4.043 4.120 0.050 0.000 0.245 503 V C 3.038 179.128 176.094 -0.007 0.000 1.044 503 V CA 1.298 63.596 62.300 -0.004 0.000 1.036 503 V CB -0.882 30.938 31.823 -0.004 0.000 0.664 503 V HN 0.778 nan 8.190 nan 0.000 0.453 504 C N 0.660 119.958 119.300 -0.005 0.000 2.489 504 C HA 0.056 4.546 4.460 0.050 0.000 0.279 504 C C 2.795 177.773 174.990 -0.020 0.000 1.266 504 C CA 1.034 60.037 59.018 -0.026 0.000 1.707 504 C CB -0.935 26.786 27.740 -0.031 0.000 2.059 504 C HN 0.528 nan 8.230 nan 0.000 0.481 505 A N -0.928 121.901 122.820 0.016 0.000 2.275 505 A HA 0.367 4.717 4.320 0.050 0.000 0.212 505 A C 1.332 178.946 177.584 0.050 0.000 1.201 505 A CA 1.546 53.607 52.037 0.040 0.000 0.843 505 A CB -0.488 18.559 19.000 0.078 0.000 0.873 505 A HN 1.025 nan 8.150 nan 0.000 0.492 506 S N -0.558 115.161 115.700 0.032 0.000 4.054 506 S HA -0.348 4.152 4.470 0.050 0.000 0.618 506 S C 1.811 176.443 174.600 0.055 0.000 2.026 506 S CA 3.169 61.380 58.200 0.019 0.000 4.205 506 S CB -1.665 61.538 63.200 0.005 0.000 0.233 506 S HN 1.845 nan 8.310 nan 0.000 0.612 507 S N 1.189 116.921 115.700 0.054 0.000 2.481 507 S HA 0.342 4.842 4.470 0.050 0.000 0.231 507 S C 1.941 176.717 174.600 0.294 0.000 0.996 507 S CA 1.325 59.605 58.200 0.132 0.000 0.942 507 S CB -0.239 63.005 63.200 0.074 0.000 0.768 507 S HN 2.503 nan 8.310 nan 0.000 0.520 508 G N 1.188 110.098 108.800 0.183 0.000 2.176 508 G HA2 -0.289 3.701 3.960 0.050 0.000 0.253 508 G HA3 -0.289 3.701 3.960 0.050 0.000 0.253 508 G C 0.245 175.227 174.900 0.137 0.000 0.979 508 G CA 0.333 45.530 45.100 0.163 0.000 0.641 508 G HN 1.467 nan 8.290 nan 0.000 0.530 509 S N -0.332 115.448 115.700 0.133 0.000 2.580 509 S HA 0.519 5.019 4.470 0.050 0.000 0.266 509 S C 1.771 176.423 174.600 0.086 0.000 1.354 509 S CA 0.079 58.343 58.200 0.108 0.000 1.008 509 S CB 1.004 64.260 63.200 0.094 0.000 0.898 509 S HN 0.502 nan 8.310 nan 0.000 0.555 510 L N 0.403 121.672 121.223 0.076 0.000 2.046 510 L HA -0.118 4.252 4.340 0.050 0.000 0.208 510 L C 2.243 179.150 176.870 0.061 0.000 1.077 510 L CA 1.514 56.394 54.840 0.067 0.000 0.747 510 L CB -0.783 41.310 42.059 0.056 0.000 0.896 510 L HN 0.645 nan 8.230 nan 0.000 0.432 511 D N 0.080 120.512 120.400 0.053 0.000 2.123 511 D HA -0.184 4.486 4.640 0.050 0.000 0.196 511 D C 1.831 178.157 176.300 0.044 0.000 0.992 511 D CA 1.213 55.239 54.000 0.043 0.000 0.833 511 D CB -0.216 40.604 40.800 0.035 0.000 0.954 511 D HN 0.271 nan 8.370 nan 0.000 0.455 512 D N 0.032 120.461 120.400 0.050 0.000 2.144 512 D HA -0.076 4.594 4.640 0.050 0.000 0.199 512 D C 2.334 178.665 176.300 0.050 0.000 0.984 512 D CA 0.345 54.372 54.000 0.044 0.000 0.834 512 D CB -0.201 40.631 40.800 0.053 0.000 0.955 512 D HN 0.245 nan 8.370 nan 0.000 0.465 513 L N 0.535 121.805 121.223 0.079 0.000 2.093 513 L HA -0.098 4.272 4.340 0.050 0.000 0.208 513 L C 2.473 179.429 176.870 0.144 0.000 1.085 513 L CA 0.984 55.897 54.840 0.122 0.000 0.755 513 L CB -0.466 41.676 42.059 0.139 0.000 0.904 513 L HN -0.029 nan 8.230 nan 0.000 0.435 514 A N 0.127 123.010 122.820 0.104 0.000 2.070 514 A HA -0.179 4.171 4.320 0.050 0.000 0.220 514 A C 2.341 179.959 177.584 0.058 0.000 1.159 514 A CA 1.223 53.318 52.037 0.097 0.000 0.656 514 A CB -0.439 18.600 19.000 0.064 0.000 0.800 514 A HN 0.350 nan 8.150 nan 0.000 0.453 515 R N -0.821 119.693 120.500 0.022 0.000 2.148 515 R HA -0.020 4.350 4.340 0.050 0.000 0.223 515 R C 1.793 178.043 176.300 -0.082 0.000 1.088 515 R CA 1.222 57.311 56.100 -0.019 0.000 0.985 515 R CB -0.262 30.026 30.300 -0.019 0.000 0.880 515 R HN 0.425 nan 8.270 nan 0.000 0.451 516 V N -0.146 119.686 119.914 -0.137 0.000 2.488 516 V HA -0.088 4.062 4.120 0.050 0.000 0.246 516 V C 0.617 176.356 176.094 -0.593 0.000 1.046 516 V CA 1.272 63.334 62.300 -0.398 0.000 1.053 516 V CB -0.151 31.348 31.823 -0.540 0.000 0.679 516 V HN 0.107 nan 8.190 nan 0.000 0.458 517 F N 1.287 121.218 119.950 -0.030 0.000 2.371 517 F HA 0.390 4.948 4.527 0.050 0.000 0.343 517 F C -1.464 174.318 175.800 -0.032 0.000 1.150 517 F CA -1.861 56.115 58.000 -0.039 0.000 1.220 517 F CB 1.003 39.974 39.000 -0.048 0.000 1.475 517 F HN 0.055 nan 8.300 nan 0.000 0.521 518 P HA -0.056 nan 4.420 nan 0.000 0.225 518 P C 0.489 177.819 177.300 0.051 0.000 1.156 518 P CA 1.043 64.172 63.100 0.048 0.000 0.787 518 P CB 0.181 31.889 31.700 0.013 0.000 0.802 519 T N -3.750 110.839 114.554 0.060 0.000 3.410 519 T HA 0.322 4.702 4.350 0.050 0.000 0.328 519 T C -2.091 172.629 174.700 0.033 0.000 1.567 519 T CA -2.011 60.113 62.100 0.040 0.000 1.626 519 T CB 1.135 70.020 68.868 0.028 0.000 0.939 519 T HN -0.047 nan 8.240 nan 0.000 0.656 520 P HA -0.148 nan 4.420 nan 0.000 0.220 520 P C 1.433 178.667 177.300 -0.110 0.000 1.148 520 P CA 1.103 64.182 63.100 -0.034 0.000 0.803 520 P CB 0.274 31.940 31.700 -0.057 0.000 0.782 521 E N 1.158 121.319 120.200 -0.064 0.000 2.472 521 E HA -0.137 4.243 4.350 0.050 0.000 0.200 521 E C 1.018 177.547 176.600 -0.119 0.000 1.046 521 E CA 0.824 57.190 56.400 -0.057 0.000 0.871 521 E CB -0.578 29.132 29.700 0.017 0.000 0.806 521 E HN 0.339 nan 8.360 nan 0.000 0.533 522 K N 0.745 121.058 120.400 -0.145 0.000 2.372 522 K HA 0.227 4.577 4.320 0.050 0.000 0.200 522 K C -0.263 176.123 176.600 -0.358 0.000 1.022 522 K CA -0.077 56.115 56.287 -0.157 0.000 1.125 522 K CB 1.313 33.808 32.500 -0.009 0.000 0.855 522 K HN -0.092 nan 8.250 nan 0.000 0.524 523 V N 2.861 122.485 119.914 -0.482 0.000 2.357 523 V HA 0.162 4.312 4.120 0.050 0.000 0.284 523 V C -0.540 175.238 176.094 -0.526 0.000 1.018 523 V CA -0.808 61.279 62.300 -0.355 0.000 0.841 523 V CB 0.949 32.688 31.823 -0.140 0.000 0.991 523 V HN 0.256 nan 8.190 nan 0.000 0.437 524 H N 5.803 124.862 119.070 -0.019 0.000 2.786 524 H HA 0.479 5.064 4.556 0.049 0.000 0.284 524 H C -0.564 174.697 175.328 -0.111 0.000 1.104 524 H CA -0.371 55.655 56.048 -0.036 0.000 1.339 524 H CB 1.498 31.263 29.762 0.005 0.000 1.427 524 H HN 0.488 nan 8.280 nan 0.000 0.497 525 I N 2.767 123.305 120.570 -0.052 0.000 2.307 525 I HA 0.014 4.214 4.170 0.050 0.000 0.289 525 I C 0.585 176.610 176.117 -0.154 0.000 1.021 525 I CA -0.569 60.655 61.300 -0.127 0.000 1.224 525 I CB 0.968 38.891 38.000 -0.129 0.000 1.376 525 I HN 0.443 nan 8.210 nan 0.000 0.470 526 D N 4.569 124.780 120.400 -0.315 0.000 2.400 526 D HA -0.056 4.614 4.640 0.050 0.000 0.238 526 D C 1.426 177.646 176.300 -0.134 0.000 1.157 526 D CA -0.002 53.820 54.000 -0.297 0.000 0.889 526 D CB 0.979 41.423 40.800 -0.593 0.000 1.199 526 D HN 0.618 nan 8.370 nan 0.000 0.436 527 Q N 1.739 121.484 119.800 -0.091 0.000 2.368 527 Q HA -0.215 4.155 4.340 0.050 0.000 0.210 527 Q C 0.567 176.417 176.000 -0.251 0.000 0.982 527 Q CA 1.347 57.065 55.803 -0.143 0.000 0.884 527 Q CB -0.123 28.528 28.738 -0.145 0.000 0.933 527 Q HN 0.600 nan 8.270 nan 0.000 0.460 528 H N -0.087 118.954 119.070 -0.049 0.000 2.586 528 H HA 0.347 4.928 4.556 0.041 0.000 0.273 528 H C 0.103 175.317 175.328 -0.190 0.000 0.997 528 H CA -0.037 55.904 56.048 -0.178 0.000 1.177 528 H CB 0.703 30.358 29.762 -0.178 0.000 1.471 528 H HN 0.143 nan 8.280 nan 0.000 0.538 529 S N 0.544 116.243 115.700 -0.003 0.000 2.669 529 S HA 0.333 4.833 4.470 0.050 0.000 0.270 529 S C 0.507 175.095 174.600 -0.019 0.000 1.225 529 S CA -0.246 57.929 58.200 -0.042 0.000 0.991 529 S CB 1.593 64.734 63.200 -0.100 0.000 0.987 529 S HN 0.140 nan 8.310 nan 0.000 0.552 530 T N 2.141 116.583 114.554 -0.185 0.000 2.881 530 T HA 0.482 4.862 4.350 0.050 0.000 0.291 530 T C -1.389 173.115 174.700 -0.327 0.000 0.990 530 T CA -0.402 61.481 62.100 -0.362 0.000 0.976 530 T CB 0.992 69.324 68.868 -0.893 0.000 0.970 530 T HN 0.318 nan 8.240 nan 0.000 0.438 531 L N 5.202 126.285 121.223 -0.233 0.000 2.343 531 L HA 0.679 5.049 4.340 0.050 0.000 0.278 531 L C -1.368 175.440 176.870 -0.104 0.000 0.996 531 L CA -0.566 54.190 54.840 -0.140 0.000 0.831 531 L CB 0.660 42.681 42.059 -0.062 0.000 1.232 531 L HN 0.651 nan 8.230 nan 0.000 0.413 532 I N 5.928 126.445 120.570 -0.089 0.000 2.389 532 I HA 0.488 4.688 4.170 0.050 0.000 0.288 532 I C -0.908 175.206 176.117 -0.004 0.000 0.999 532 I CA -0.850 60.434 61.300 -0.026 0.000 1.129 532 I CB 1.910 39.905 38.000 -0.009 0.000 1.288 532 I HN 0.252 nan 8.210 nan 0.000 0.444 533 V N 5.963 125.885 119.914 0.013 0.000 2.487 533 V HA 0.430 4.580 4.120 0.050 0.000 0.298 533 V C -0.424 175.676 176.094 0.010 0.000 1.028 533 V CA -0.635 61.662 62.300 -0.005 0.000 0.860 533 V CB 1.830 33.633 31.823 -0.033 0.000 0.991 533 V HN 0.702 nan 8.190 nan 0.000 0.427 534 E N 2.700 122.905 120.200 0.008 0.000 2.248 534 E HA 0.713 5.093 4.350 0.050 0.000 0.267 534 E C 0.296 176.903 176.600 0.012 0.000 0.877 534 E CA -0.152 56.259 56.400 0.018 0.000 0.759 534 E CB 2.355 32.073 29.700 0.030 0.000 1.182 534 E HN 1.116 nan 8.360 nan 0.000 0.418 535 G N 2.104 110.910 108.800 0.009 0.000 2.681 535 G HA2 -0.247 3.742 3.960 0.050 0.000 0.220 535 G HA3 -0.247 3.742 3.960 0.050 0.000 0.220 535 G C -0.617 174.280 174.900 -0.005 0.000 1.353 535 G CA -0.924 44.180 45.100 0.007 0.000 0.872 535 G HN 0.435 nan 8.290 nan 0.000 0.557 536 R N 0.063 120.563 120.500 0.001 0.000 2.441 536 R HA 0.370 4.740 4.340 0.050 0.000 0.300 536 R C -0.143 176.149 176.300 -0.012 0.000 1.284 536 R CA 0.074 56.169 56.100 -0.009 0.000 1.069 536 R CB -0.037 30.263 30.300 -0.000 0.000 1.087 536 R HN 0.459 nan 8.270 nan 0.000 0.519 537 V N 5.266 125.142 119.914 -0.064 0.000 2.656 537 V HA 0.512 4.662 4.120 0.050 0.000 0.307 537 V C 0.189 176.176 176.094 -0.180 0.000 1.051 537 V CA -0.790 61.435 62.300 -0.125 0.000 0.893 537 V CB 2.682 34.403 31.823 -0.170 0.000 0.999 537 V HN 0.481 nan 8.190 nan 0.000 0.426 538 I N 4.993 125.450 120.570 -0.188 0.000 2.436 538 I HA 0.500 4.700 4.170 0.050 0.000 0.289 538 I C -0.787 175.188 176.117 -0.236 0.000 1.010 538 I CA -0.388 60.785 61.300 -0.213 0.000 1.098 538 I CB 1.988 39.915 38.000 -0.122 0.000 1.266 538 I HN 0.436 nan 8.210 nan 0.000 0.434 539 I N 6.320 126.697 120.570 -0.322 0.000 2.330 539 I HA 0.236 4.436 4.170 0.050 0.000 0.286 539 I C 0.931 177.008 176.117 -0.067 0.000 1.025 539 I CA -0.132 61.046 61.300 -0.204 0.000 1.197 539 I CB 1.094 38.970 38.000 -0.206 0.000 1.358 539 I HN 0.685 nan 8.210 nan 0.000 0.467 540 E N 3.298 123.479 120.200 -0.032 0.000 2.060 540 E HA 0.000 4.380 4.350 0.050 0.000 0.189 540 E C 0.147 176.765 176.600 0.030 0.000 0.974 540 E CA 0.672 57.077 56.400 0.008 0.000 0.808 540 E CB 0.350 30.051 29.700 0.001 0.000 0.768 540 E HN 0.682 nan 8.360 nan 0.000 0.453 541 S N 0.269 115.984 115.700 0.025 0.000 2.572 541 S HA 0.611 5.111 4.470 0.050 0.000 0.274 541 S C -1.118 173.504 174.600 0.037 0.000 1.150 541 S CA -1.041 57.176 58.200 0.029 0.000 0.944 541 S CB 2.159 65.382 63.200 0.038 0.000 1.071 541 S HN 0.101 nan 8.310 nan 0.000 0.479 542 L N 0.850 122.097 121.223 0.040 0.000 2.549 542 L HA 0.664 5.033 4.340 0.050 0.000 0.259 542 L C -1.415 175.506 176.870 0.085 0.000 0.934 542 L CA -0.221 54.651 54.840 0.053 0.000 0.865 542 L CB 2.077 44.162 42.059 0.044 0.000 1.352 542 L HN 0.984 nan 8.230 nan 0.000 0.410 543 E N 4.126 124.392 120.200 0.111 0.000 2.155 543 E HA 0.542 4.922 4.350 0.050 0.000 0.264 543 E C -1.952 174.708 176.600 0.100 0.000 0.886 543 E CA -0.759 55.728 56.400 0.145 0.000 0.752 543 E CB 1.561 31.377 29.700 0.194 0.000 1.133 543 E HN 0.626 nan 8.360 nan 0.000 0.414 544 L N 5.755 126.982 121.223 0.007 0.000 2.343 544 L HA 0.402 4.772 4.340 0.050 0.000 0.278 544 L C -2.021 174.759 176.870 -0.150 0.000 0.996 544 L CA -0.497 54.328 54.840 -0.024 0.000 0.831 544 L CB 0.976 43.004 42.059 -0.051 0.000 1.232 544 L HN 0.541 nan 8.230 nan 0.000 0.413 545 Y N 5.318 125.628 120.300 0.016 0.000 2.748 545 Y HA 0.737 5.316 4.550 0.048 0.000 0.359 545 Y C 0.709 176.605 175.900 -0.006 0.000 1.030 545 Y CA 0.209 58.318 58.100 0.014 0.000 1.169 545 Y CB 1.209 39.679 38.460 0.016 0.000 1.127 545 Y HN 0.838 nan 8.280 nan 0.000 0.644 546 G N 0.532 109.367 108.800 0.059 0.000 2.332 546 G HA2 0.432 4.422 3.960 0.050 0.000 0.265 546 G HA3 0.432 4.422 3.960 0.050 0.000 0.265 546 G C -1.776 173.075 174.900 -0.082 0.000 1.329 546 G CA -0.371 44.736 45.100 0.011 0.000 0.949 546 G HN 0.528 nan 8.290 nan 0.000 0.476 547 A N -0.714 122.036 122.820 -0.117 0.000 2.330 547 A HA 0.894 5.244 4.320 0.050 0.000 0.327 547 A C -0.924 176.570 177.584 -0.149 0.000 1.155 547 A CA -0.406 51.468 52.037 -0.272 0.000 0.803 547 A CB 1.578 20.274 19.000 -0.506 0.000 1.208 547 A HN 2.101 nan 8.150 nan 0.000 0.477 548 L N 1.583 122.706 121.223 -0.167 0.000 2.455 548 L HA 0.720 5.090 4.340 0.050 0.000 0.264 548 L C -0.679 176.146 176.870 -0.075 0.000 0.968 548 L CA 0.240 55.033 54.840 -0.078 0.000 0.827 548 L CB 2.506 44.535 42.059 -0.049 0.000 1.317 548 L HN 0.575 nan 8.230 nan 0.000 0.407 549 T N 6.076 120.617 114.554 -0.021 0.000 2.786 549 T HA 0.650 5.030 4.350 0.050 0.000 0.283 549 T C -0.328 174.379 174.700 0.011 0.000 0.992 549 T CA -0.095 62.004 62.100 -0.001 0.000 0.954 549 T CB 0.685 69.575 68.868 0.037 0.000 0.934 549 T HN 0.433 nan 8.240 nan 0.000 0.440 550 I N 3.717 124.285 120.570 -0.005 0.000 2.378 550 I HA 0.484 4.684 4.170 0.050 0.000 0.291 550 I C 0.288 176.416 176.117 0.017 0.000 0.992 550 I CA -0.861 60.434 61.300 -0.010 0.000 1.154 550 I CB 1.423 39.364 38.000 -0.099 0.000 1.315 550 I HN 0.311 nan 8.210 nan 0.000 0.448 551 R N 4.135 124.686 120.500 0.085 0.000 2.562 551 R HA 0.736 5.106 4.340 0.050 0.000 0.298 551 R C -0.092 176.309 176.300 0.168 0.000 0.961 551 R CA -0.669 55.486 56.100 0.091 0.000 0.881 551 R CB 2.386 32.730 30.300 0.072 0.000 1.159 551 R HN 0.816 nan 8.270 nan 0.000 0.450 552 G N 2.185 111.048 108.800 0.105 0.000 3.042 552 G HA2 0.538 4.528 3.960 0.050 0.000 0.278 552 G HA3 0.538 4.528 3.960 0.050 0.000 0.278 552 G C -2.746 172.186 174.900 0.053 0.000 1.371 552 G CA -1.619 43.550 45.100 0.115 0.000 1.009 552 G HN 0.233 nan 8.290 nan 0.000 0.523 553 P HA 0.084 nan 4.420 nan 0.000 0.264 553 P C 1.135 178.442 177.300 0.011 0.000 1.183 553 P CA 0.285 63.394 63.100 0.016 0.000 0.763 553 P CB 0.749 32.455 31.700 0.010 0.000 0.807 554 T N -1.737 112.820 114.554 0.006 0.000 3.055 554 T HA -0.067 4.312 4.350 0.050 0.000 0.265 554 T C 0.576 175.274 174.700 -0.003 0.000 1.111 554 T CA 0.368 62.469 62.100 0.002 0.000 1.118 554 T CB -0.509 68.360 68.868 0.000 0.000 0.909 554 T HN 0.308 nan 8.240 nan 0.000 0.501 555 D N 2.228 122.626 120.400 -0.004 0.000 2.339 555 D HA 0.204 4.874 4.640 0.050 0.000 0.256 555 D C 1.432 177.727 176.300 -0.008 0.000 1.214 555 D CA 0.112 54.108 54.000 -0.007 0.000 0.877 555 D CB 1.313 42.109 40.800 -0.006 0.000 1.111 555 D HN 0.244 nan 8.370 nan 0.000 0.478 556 S N 3.270 118.963 115.700 -0.012 0.000 2.469 556 S HA -0.187 4.313 4.470 0.050 0.000 0.238 556 S C 1.545 176.138 174.600 -0.013 0.000 0.998 556 S CA 0.761 58.953 58.200 -0.014 0.000 0.957 556 S CB -0.284 62.904 63.200 -0.020 0.000 0.764 556 S HN 0.651 nan 8.310 nan 0.000 0.514 557 M N 1.026 120.620 119.600 -0.011 0.000 2.371 557 M HA 0.420 4.930 4.480 0.050 0.000 0.246 557 M C 0.854 177.150 176.300 -0.007 0.000 1.103 557 M CA -0.073 55.221 55.300 -0.010 0.000 1.010 557 M CB 0.238 32.833 32.600 -0.010 0.000 1.457 557 M HN 0.390 nan 8.290 nan 0.000 0.486 558 A N 1.006 123.823 122.820 -0.006 0.000 2.259 558 A HA 0.525 4.875 4.320 0.050 0.000 0.278 558 A C -0.392 177.191 177.584 -0.001 0.000 1.107 558 A CA -0.606 51.429 52.037 -0.003 0.000 0.828 558 A CB 0.317 19.315 19.000 -0.002 0.000 1.111 558 A HN 0.279 nan 8.150 nan 0.000 0.498 559 L N 1.397 122.620 121.223 0.000 0.000 2.410 559 L HA 0.332 4.702 4.340 0.050 0.000 0.273 559 L C -1.999 174.879 176.870 0.014 0.000 1.144 559 L CA -1.155 53.687 54.840 0.004 0.000 0.863 559 L CB 0.116 42.176 42.059 0.001 0.000 1.140 559 L HN 0.396 nan 8.230 nan 0.000 0.463 560 P HA 0.034 nan 4.420 nan 0.000 0.271 560 P C -1.138 176.211 177.300 0.082 0.000 1.218 560 P CA -0.041 63.077 63.100 0.029 0.000 0.780 560 P CB 0.242 31.943 31.700 0.001 0.000 0.901 561 H N 1.924 120.976 119.070 -0.031 0.000 2.800 561 H HA 0.290 4.876 4.556 0.050 0.000 0.291 561 H C -0.842 174.464 175.328 -0.037 0.000 1.076 561 H CA -0.720 55.311 56.048 -0.028 0.000 1.452 561 H CB 0.357 30.104 29.762 -0.025 0.000 1.461 561 H HN 0.052 nan 8.280 nan 0.000 0.488 562 V N 6.937 126.981 119.914 0.216 0.000 2.394 562 V HA 0.120 4.270 4.120 0.050 0.000 0.282 562 V C -0.096 176.005 176.094 0.011 0.000 1.031 562 V CA -0.727 61.592 62.300 0.033 0.000 0.881 562 V CB 1.395 33.240 31.823 0.036 0.000 0.982 562 V HN 0.520 nan 8.190 nan 0.000 0.451 563 V N 6.851 126.698 119.914 -0.112 0.000 2.370 563 V HA 0.588 4.738 4.120 0.050 0.000 0.283 563 V C 0.040 176.120 176.094 -0.024 0.000 1.023 563 V CA -0.618 61.633 62.300 -0.081 0.000 0.857 563 V CB 1.341 33.070 31.823 -0.156 0.000 0.985 563 V HN 0.922 nan 8.190 nan 0.000 0.443 564 R N 3.144 123.652 120.500 0.012 0.000 2.686 564 R HA 0.504 4.874 4.340 0.050 0.000 0.283 564 R C 0.117 176.436 176.300 0.032 0.000 0.978 564 R CA -1.014 55.099 56.100 0.021 0.000 0.897 564 R CB 1.157 31.472 30.300 0.025 0.000 1.192 564 R HN 0.755 nan 8.270 nan 0.000 0.457 565 N N -0.358 118.365 118.700 0.038 0.000 2.693 565 N HA -0.259 4.511 4.740 0.050 0.000 0.249 565 N C -0.664 174.875 175.510 0.049 0.000 1.119 565 N CA 0.717 53.795 53.050 0.046 0.000 0.717 565 N CB -0.694 37.818 38.487 0.041 0.000 1.071 565 N HN 0.741 nan 8.380 nan 0.000 0.555 566 A N 0.189 123.037 122.820 0.046 0.000 2.401 566 A HA 0.557 4.907 4.320 0.050 0.000 0.259 566 A C 0.322 177.943 177.584 0.061 0.000 1.103 566 A CA -0.052 52.013 52.037 0.047 0.000 0.789 566 A CB 0.816 19.837 19.000 0.034 0.000 1.035 566 A HN 0.110 nan 8.150 nan 0.000 0.491 567 V N 3.625 123.576 119.914 0.061 0.000 2.482 567 V HA 0.433 4.583 4.120 0.050 0.000 0.295 567 V C -0.670 175.466 176.094 0.071 0.000 1.026 567 V CA -0.422 61.924 62.300 0.077 0.000 0.856 567 V CB 1.518 33.385 31.823 0.073 0.000 1.001 567 V HN 0.656 nan 8.190 nan 0.000 0.424 568 V N 5.997 125.961 119.914 0.083 0.000 2.483 568 V HA 0.623 4.773 4.120 0.050 0.000 0.297 568 V C -0.310 175.844 176.094 0.100 0.000 1.027 568 V CA -0.706 61.636 62.300 0.071 0.000 0.855 568 V CB 2.112 33.962 31.823 0.046 0.000 0.995 568 V HN 0.880 nan 8.190 nan 0.000 0.424 569 R N 4.109 124.658 120.500 0.081 0.000 2.532 569 R HA 0.710 5.080 4.340 0.050 0.000 0.297 569 R C -0.858 175.475 176.300 0.056 0.000 0.984 569 R CA -0.649 55.504 56.100 0.088 0.000 0.884 569 R CB 2.094 32.427 30.300 0.054 0.000 1.182 569 R HN 0.973 nan 8.270 nan 0.000 0.442 570 N N 0.237 118.972 118.700 0.058 0.000 3.277 570 N HA 0.267 5.037 4.740 0.050 0.000 0.278 570 N C -0.230 175.306 175.510 0.045 0.000 1.544 570 N CA -0.700 52.377 53.050 0.045 0.000 0.869 570 N CB 0.465 38.982 38.487 0.049 0.000 1.584 570 N HN 0.296 nan 8.380 nan 0.000 0.564 571 A N -0.679 122.170 122.820 0.047 0.000 2.121 571 A HA 0.435 4.785 4.320 0.050 0.000 0.218 571 A C 1.433 179.056 177.584 0.064 0.000 1.154 571 A CA 1.470 53.532 52.037 0.042 0.000 0.679 571 A CB -1.769 17.258 19.000 0.045 0.000 0.795 571 A HN 1.577 nan 8.150 nan 0.000 0.458 572 G N -1.834 107.023 108.800 0.095 0.000 2.578 572 G HA2 -0.240 3.750 3.960 0.050 0.000 0.275 572 G HA3 -0.240 3.750 3.960 0.050 0.000 0.275 572 G C -0.261 174.851 174.900 0.354 0.000 1.271 572 G CA 0.326 45.494 45.100 0.114 0.000 0.941 572 G HN 0.608 nan 8.290 nan 0.000 0.564 573 W N 0.544 121.854 121.300 0.017 0.000 2.655 573 W HA 0.786 5.472 4.660 0.044 0.000 0.358 573 W C 0.742 177.227 176.519 -0.056 0.000 1.100 573 W CA -0.310 57.081 57.345 0.076 0.000 1.195 573 W CB 1.343 30.967 29.460 0.275 0.000 1.403 573 W HN 1.259 nan 8.180 nan 0.000 0.589 574 S N -0.252 115.621 115.700 0.288 0.000 2.697 574 S HA 0.838 5.338 4.470 0.050 0.000 0.289 574 S C -1.516 173.283 174.600 0.333 0.000 1.149 574 S CA -0.906 57.388 58.200 0.156 0.000 0.850 574 S CB 1.968 65.218 63.200 0.083 0.000 1.151 574 S HN 0.509 nan 8.310 nan 0.000 0.491 575 V N 2.223 122.320 119.914 0.305 0.000 2.841 575 V HA 0.781 4.931 4.120 0.050 0.000 0.310 575 V C -1.703 174.530 176.094 0.230 0.000 1.090 575 V CA -0.345 62.105 62.300 0.251 0.000 0.930 575 V CB 1.777 33.716 31.823 0.193 0.000 1.014 575 V HN 1.316 nan 8.190 nan 0.000 0.425 576 H N 3.993 123.134 119.070 0.119 0.000 3.016 576 H HA 0.793 5.360 4.556 0.018 0.000 0.362 576 H C -0.531 174.877 175.328 0.134 0.000 1.233 576 H CA -0.365 55.739 56.048 0.095 0.000 1.124 576 H CB 1.736 31.536 29.762 0.064 0.000 1.850 576 H HN 0.914 nan 8.280 nan 0.000 0.549 577 A N 2.127 125.036 122.820 0.149 0.000 2.407 577 A HA 0.381 4.731 4.320 0.050 0.000 0.248 577 A C 0.451 178.080 177.584 0.075 0.000 1.082 577 A CA -0.625 51.472 52.037 0.100 0.000 0.785 577 A CB -0.204 18.849 19.000 0.088 0.000 1.020 577 A HN 0.580 nan 8.150 nan 0.000 0.489 578 I N 2.400 122.982 120.570 0.021 0.000 2.517 578 I HA 0.037 4.237 4.170 0.050 0.000 0.285 578 I C 0.132 176.273 176.117 0.040 0.000 1.106 578 I CA 0.196 61.506 61.300 0.017 0.000 1.402 578 I CB 0.288 38.272 38.000 -0.027 0.000 1.399 578 I HN 0.479 nan 8.210 nan 0.000 0.535 579 L N 5.624 126.885 121.223 0.062 0.000 2.439 579 L HA 0.103 4.473 4.340 0.050 0.000 0.269 579 L C 1.570 178.456 176.870 0.026 0.000 1.179 579 L CA -0.021 54.849 54.840 0.048 0.000 0.828 579 L CB 0.876 42.968 42.059 0.054 0.000 1.106 579 L HN 0.672 nan 8.230 nan 0.000 0.467 580 S N 1.923 117.635 115.700 0.020 0.000 2.442 580 S HA -0.054 4.446 4.470 0.050 0.000 0.236 580 S C 0.712 175.320 174.600 0.013 0.000 1.007 580 S CA 0.785 58.992 58.200 0.013 0.000 0.965 580 S CB -0.278 62.929 63.200 0.011 0.000 0.773 580 S HN 0.307 nan 8.310 nan 0.000 0.504 581 L N 1.176 122.409 121.223 0.016 0.000 2.399 581 L HA 0.215 4.585 4.340 0.050 0.000 0.257 581 L C 0.628 177.507 176.870 0.014 0.000 1.236 581 L CA 0.082 54.930 54.840 0.014 0.000 1.144 581 L CB -0.445 41.623 42.059 0.014 0.000 1.379 581 L HN 0.198 nan 8.230 nan 0.000 0.414 582 C N 0.609 119.915 119.300 0.011 0.000 3.070 582 C HA 0.508 4.998 4.460 0.050 0.000 0.280 582 C C 1.712 176.707 174.990 0.008 0.000 1.264 582 C CA -0.312 58.712 59.018 0.010 0.000 1.690 582 C CB -0.526 27.218 27.740 0.006 0.000 2.049 582 C HN 0.792 nan 8.230 nan 0.000 0.636 583 A N 0.541 123.366 122.820 0.007 0.000 2.448 583 A HA 0.538 4.888 4.320 0.050 0.000 0.239 583 A C 0.488 178.075 177.584 0.006 0.000 1.080 583 A CA 0.994 53.035 52.037 0.006 0.000 0.779 583 A CB -0.265 18.738 19.000 0.006 0.000 1.026 583 A HN 0.912 nan 8.150 nan 0.000 0.499 584 G N -0.506 108.297 108.800 0.005 0.000 2.402 584 G HA2 0.384 4.374 3.960 0.050 0.000 0.301 584 G HA3 0.384 4.374 3.960 0.050 0.000 0.301 584 G C 0.036 174.938 174.900 0.003 0.000 1.615 584 G CA -0.026 45.077 45.100 0.005 0.000 0.889 584 G HN 0.801 nan 8.290 nan 0.000 0.647 585 R N -0.109 120.393 120.500 0.003 0.000 2.103 585 R HA -0.010 4.360 4.340 0.050 0.000 0.242 585 R C 0.323 176.624 176.300 0.002 0.000 1.142 585 R CA 2.447 58.548 56.100 0.002 0.000 0.960 585 R CB 0.061 30.362 30.300 0.002 0.000 0.858 585 R HN 0.583 nan 8.270 nan 0.000 0.439 586 D N -2.548 117.853 120.400 0.002 0.000 2.626 586 D HA 0.420 5.090 4.640 0.050 0.000 0.278 586 D C -1.419 174.883 176.300 0.003 0.000 1.211 586 D CA -0.415 53.586 54.000 0.002 0.000 0.903 586 D CB 2.185 42.986 40.800 0.001 0.000 1.408 586 D HN 0.014 nan 8.370 nan 0.000 0.454 587 S N -0.661 115.040 115.700 0.003 0.000 2.683 587 S HA 0.217 4.717 4.470 0.050 0.000 0.278 587 S C -0.761 173.840 174.600 0.000 0.000 1.059 587 S CA -0.610 57.593 58.200 0.004 0.000 0.847 587 S CB 1.520 64.722 63.200 0.005 0.000 1.078 587 S HN 0.435 nan 8.310 nan 0.000 0.456 588 R N 1.659 122.159 120.500 -0.000 0.000 2.466 588 R HA 0.420 4.790 4.340 0.050 0.000 0.279 588 R C -0.342 175.952 176.300 -0.011 0.000 0.976 588 R CA 0.012 56.108 56.100 -0.006 0.000 1.081 588 R CB -0.188 30.108 30.300 -0.007 0.000 1.215 588 R HN 0.560 nan 8.270 nan 0.000 0.546 589 L N 1.898 123.114 121.223 -0.011 0.000 2.462 589 L HA 0.129 4.499 4.340 0.050 0.000 0.272 589 L C 0.378 177.239 176.870 -0.016 0.000 1.166 589 L CA -0.056 54.772 54.840 -0.020 0.000 0.880 589 L CB 0.990 43.037 42.059 -0.020 0.000 1.142 589 L HN 0.279 nan 8.230 nan 0.000 0.473 590 S N 1.088 116.776 115.700 -0.019 0.000 2.747 590 S HA 0.306 4.806 4.470 0.050 0.000 0.300 590 S C 0.716 175.320 174.600 0.007 0.000 1.121 590 S CA -0.966 57.233 58.200 -0.001 0.000 0.995 590 S CB 1.690 64.895 63.200 0.008 0.000 1.113 590 S HN 0.634 nan 8.310 nan 0.000 0.547 591 E N 0.039 120.266 120.200 0.046 0.000 2.097 591 E HA -0.148 4.231 4.350 0.050 0.000 0.196 591 E C 1.876 178.519 176.600 0.072 0.000 1.000 591 E CA 1.350 57.803 56.400 0.088 0.000 0.804 591 E CB -0.434 29.366 29.700 0.167 0.000 0.740 591 E HN 0.448 nan 8.360 nan 0.000 0.454 592 V N 1.960 121.914 119.914 0.067 0.000 2.324 592 V HA -0.288 3.861 4.120 0.050 0.000 0.250 592 V C 1.727 177.733 176.094 -0.147 0.000 1.060 592 V CA 2.063 64.319 62.300 -0.073 0.000 1.042 592 V CB -0.374 31.409 31.823 -0.067 0.000 0.650 592 V HN 0.272 nan 8.190 nan 0.000 0.450 593 D N -0.427 119.900 120.400 -0.122 0.000 2.084 593 D HA -0.123 4.547 4.640 0.050 0.000 0.196 593 D C 2.361 178.545 176.300 -0.194 0.000 0.985 593 D CA 1.135 55.026 54.000 -0.182 0.000 0.826 593 D CB -0.304 40.421 40.800 -0.126 0.000 0.978 593 D HN 0.387 nan 8.370 nan 0.000 0.456 594 R N 0.755 121.188 120.500 -0.111 0.000 2.127 594 R HA -0.085 4.285 4.340 0.050 0.000 0.238 594 R C 2.560 178.800 176.300 -0.101 0.000 1.134 594 R CA 0.898 56.945 56.100 -0.088 0.000 0.975 594 R CB -0.476 29.801 30.300 -0.038 0.000 0.865 594 R HN 0.385 nan 8.270 nan 0.000 0.447 595 I N -0.503 120.004 120.570 -0.105 0.000 3.001 595 I HA -0.109 4.091 4.170 0.050 0.000 0.268 595 I C 2.064 178.094 176.117 -0.145 0.000 1.267 595 I CA 1.062 62.306 61.300 -0.093 0.000 1.472 595 I CB -0.182 37.772 38.000 -0.077 0.000 1.089 595 I HN 0.053 nan 8.210 nan 0.000 0.468 596 R N 1.539 121.876 120.500 -0.271 0.000 2.307 596 R HA 0.345 4.715 4.340 0.050 0.000 0.200 596 R C 1.541 177.598 176.300 -0.404 0.000 0.893 596 R CA 0.766 56.629 56.100 -0.396 0.000 1.042 596 R CB 0.075 29.937 30.300 -0.731 0.000 1.059 596 R HN 0.343 nan 8.270 nan 0.000 0.530 597 G N 1.245 109.852 108.800 -0.321 0.000 2.159 597 G HA2 -0.290 3.700 3.960 0.050 0.000 0.256 597 G HA3 -0.290 3.700 3.960 0.050 0.000 0.256 597 G C -0.065 174.797 174.900 -0.063 0.000 0.977 597 G CA 0.673 45.681 45.100 -0.153 0.000 0.652 597 G HN 0.541 nan 8.290 nan 0.000 0.531 598 F N -1.676 118.220 119.950 -0.090 0.000 2.685 598 F HA 0.832 5.387 4.527 0.046 0.000 0.315 598 F C -0.403 175.302 175.800 -0.157 0.000 1.126 598 F CA -1.281 56.643 58.000 -0.127 0.000 0.950 598 F CB 1.603 40.555 39.000 -0.080 0.000 1.360 598 F HN 0.643 nan 8.300 nan 0.000 0.469 599 V N 0.108 120.069 119.914 0.078 0.000 2.760 599 V HA 0.586 4.736 4.120 0.050 0.000 0.309 599 V C -0.915 175.207 176.094 0.048 0.000 1.077 599 V CA -1.069 61.227 62.300 -0.007 0.000 0.910 599 V CB 1.365 33.090 31.823 -0.163 0.000 1.008 599 V HN 0.983 nan 8.190 nan 0.000 0.424 600 L N 4.250 125.528 121.223 0.092 0.000 2.367 600 L HA 0.458 4.828 4.340 0.050 0.000 0.275 600 L C 0.282 177.112 176.870 -0.066 0.000 1.129 600 L CA -0.212 54.653 54.840 0.042 0.000 0.839 600 L CB 0.785 42.822 42.059 -0.037 0.000 1.133 600 L HN 0.594 nan 8.230 nan 0.000 0.453 601 K N 4.316 124.717 120.400 0.000 0.000 2.281 601 K HA 0.232 4.582 4.320 0.050 0.000 0.272 601 K C -0.378 176.081 176.600 -0.235 0.000 1.048 601 K CA -0.291 55.967 56.287 -0.049 0.000 0.898 601 K CB 1.090 33.646 32.500 0.094 0.000 1.128 601 K HN 0.381 nan 8.250 nan 0.000 0.460 602 K N 2.398 122.517 120.400 -0.468 0.000 2.518 602 K HA 0.086 4.436 4.320 0.050 0.000 0.244 602 K C 0.652 177.144 176.600 -0.179 0.000 1.232 602 K CA -0.089 55.685 56.287 -0.855 0.000 1.189 602 K CB 0.098 31.999 32.500 -0.998 0.000 1.737 602 K HN 0.395 nan 8.250 nan 0.000 0.333 603 T N 0.518 115.089 114.554 0.028 0.000 2.674 603 T HA -0.138 4.242 4.350 0.050 0.000 0.265 603 T C 0.917 175.705 174.700 0.148 0.000 1.039 603 T CA 1.243 63.399 62.100 0.093 0.000 1.150 603 T CB 0.118 69.047 68.868 0.102 0.000 0.864 603 T HN 0.544 nan 8.240 nan 0.000 0.427 604 A N 0.025 122.997 122.820 0.254 0.000 2.479 604 A HA 0.861 5.211 4.320 0.050 0.000 0.296 604 A C -1.188 176.559 177.584 0.270 0.000 1.121 604 A CA -0.832 51.328 52.037 0.205 0.000 0.743 604 A CB 1.796 20.875 19.000 0.132 0.000 1.323 604 A HN 0.269 nan 8.150 nan 0.000 0.415 605 M N 0.650 120.356 119.600 0.177 0.000 2.331 605 M HA 0.597 5.107 4.480 0.050 0.000 0.249 605 M C -0.925 175.428 176.300 0.089 0.000 1.010 605 M CA -0.081 55.308 55.300 0.149 0.000 0.939 605 M CB 1.248 33.991 32.600 0.238 0.000 2.126 605 M HN 1.591 nan 8.290 nan 0.000 0.472 606 A N 3.668 126.519 122.820 0.052 0.000 2.340 606 A HA 0.816 5.166 4.320 0.050 0.000 0.268 606 A C -0.982 176.628 177.584 0.044 0.000 1.100 606 A CA -0.531 51.533 52.037 0.045 0.000 0.803 606 A CB 0.732 19.752 19.000 0.034 0.000 1.043 606 A HN 0.837 nan 8.150 nan 0.000 0.488 607 V N 3.285 123.228 119.914 0.049 0.000 2.487 607 V HA 0.388 4.538 4.120 0.050 0.000 0.298 607 V C -0.230 175.899 176.094 0.059 0.000 1.028 607 V CA -0.127 62.204 62.300 0.052 0.000 0.860 607 V CB 1.460 33.316 31.823 0.055 0.000 0.991 607 V HN 0.922 nan 8.190 nan 0.000 0.427 608 M N 4.509 124.153 119.600 0.073 0.000 2.036 608 M HA 0.442 4.952 4.480 0.050 0.000 0.337 608 M C -0.598 175.803 176.300 0.168 0.000 1.012 608 M CA -0.317 55.056 55.300 0.122 0.000 0.962 608 M CB 0.980 33.666 32.600 0.143 0.000 1.423 608 M HN 0.596 nan 8.290 nan 0.000 0.405 609 D N 1.282 121.743 120.400 0.101 0.000 2.507 609 D HA 0.782 5.452 4.640 0.050 0.000 0.280 609 D C 0.553 176.825 176.300 -0.046 0.000 1.219 609 D CA 0.368 54.405 54.000 0.062 0.000 1.085 609 D CB 1.450 42.263 40.800 0.023 0.000 1.134 609 D HN 0.986 nan 8.370 nan 0.000 0.583 610 C N 0.000 119.255 119.300 -0.075 0.000 2.653 610 C HA 0.000 4.490 4.460 0.050 0.000 0.325 610 C CA 0.000 58.916 59.018 -0.169 0.000 1.963 610 C CB 0.000 27.518 27.740 -0.370 0.000 2.134 610 C HN 0.000 nan 8.230 nan 0.000 0.568