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 1jw1_1_A DATA FIRST_RESID 1 DATA SEQUENCE APRKNVRWcA ISLPEWSKcY QWQRRMRKLG APSITcVRRT SVLEcIRAIA DATA SEQUENCE GKNADAVTLD DGMVFEAGRD PYKLRPVAAE IYGTEKSPQT HYYAVAVVKK DATA SEQUENCE GSNFKLDQLQ GQKScHMGLG RSAGWNIPVG ILRPPLSWTE SAEPLQGAVA DATA SEQUENCE RFFSAScVPc VDGKAYPNLc QLcKGVGENK cAcSSQEPYF GYSGAFKcLQ DATA SEQUENCE DGAGDVAFVK ETTVFENLPE KADRDQYELL cLNNTRAPVD AFKEcHLAQV DATA SEQUENCE PSHAVVARSV DGKENLIWEL LRKAQEKFGK NKSQRFQLFG SPEGRRDLLF DATA SEQUENCE KDSALGFLRI PSKVDSALYL GSRYLTALKN LRETAEEVKA RCTRVVWcAV DATA SEQUENCE GPEEQSKcQQ WSEQSGQNVT cATASTTDDc IALVLKGEAD ALSLDGGYIY DATA SEQUENCE TAGKcGLVPV MAENRKSSKH SSLDcVLRPT EGYLAVAVVK KANEGLTWNS DATA SEQUENCE LKGKKScHTA VDRTAGWNIP MGLIANQTGS cAFDEFFSQS cAPGADPKSS DATA SEQUENCE LcALcAGDDQ GLDKcVPNSK EKYYGYTGAF RcLAEDVGDV AFVKNDTVWE DATA SEQUENCE NTNGESSADW AKNLNREDFR LLcLDGTTKP VTEAQScYLA VAPNHAVVSR DATA SEQUENCE SDRAAHVEQV LLHQQALFGK NGKNcPDKFc LFKSETKNLL FNDNTEcLAK DATA SEQUENCE LGGRPTYEKY LGTEYVTAIA NLKKcSTSPL LEAcAFLTR 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.575 177.584 -0.015 0.000 1.274 1 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 2 P HA 0.125 nan 4.420 nan 0.000 0.251 2 P C 0.585 177.874 177.300 -0.018 0.000 1.251 2 P CA 0.860 63.952 63.100 -0.014 0.000 0.763 2 P CB 0.172 31.866 31.700 -0.010 0.000 1.067 3 R N -1.752 118.736 120.500 -0.020 0.000 2.538 3 R HA 0.175 4.518 4.340 0.005 0.000 0.372 3 R C 0.702 176.985 176.300 -0.029 0.000 0.950 3 R CA 0.006 56.092 56.100 -0.024 0.000 1.168 3 R CB 0.100 30.388 30.300 -0.019 0.000 1.542 3 R HN -0.225 nan 8.270 nan 0.000 0.536 4 K N 2.331 122.713 120.400 -0.029 0.000 2.994 4 K HA 0.240 4.564 4.320 0.005 0.000 0.231 4 K C -0.966 175.605 176.600 -0.049 0.000 1.174 4 K CA -0.004 56.263 56.287 -0.035 0.000 1.221 4 K CB -0.427 32.056 32.500 -0.029 0.000 1.166 4 K HN 0.361 nan 8.250 nan 0.000 0.453 5 N N -1.350 117.317 118.700 -0.056 0.000 2.600 5 N HA 0.074 4.817 4.740 0.005 0.000 0.272 5 N C -0.899 174.565 175.510 -0.077 0.000 1.095 5 N CA -0.627 52.379 53.050 -0.073 0.000 0.993 5 N CB 1.411 39.859 38.487 -0.066 0.000 1.603 5 N HN -0.329 nan 8.380 nan 0.000 0.526 6 V N 2.080 121.936 119.914 -0.097 0.000 2.408 6 V HA 0.268 4.391 4.120 0.005 0.000 0.267 6 V C 0.771 176.820 176.094 -0.075 0.000 1.047 6 V CA -0.420 61.824 62.300 -0.094 0.000 0.937 6 V CB 0.228 31.993 31.823 -0.096 0.000 0.999 6 V HN 0.500 nan 8.190 nan 0.000 0.472 7 R N 4.726 125.186 120.500 -0.067 0.000 2.248 7 R HA 0.167 4.510 4.340 0.005 0.000 0.337 7 R C -0.389 175.902 176.300 -0.015 0.000 1.106 7 R CA -0.319 55.766 56.100 -0.025 0.000 0.959 7 R CB 0.668 30.958 30.300 -0.016 0.000 1.075 7 R HN 0.713 nan 8.270 nan 0.000 0.480 8 W N 3.690 124.940 121.300 -0.083 0.000 2.237 8 W HA 0.179 4.843 4.660 0.005 0.000 0.335 8 W C -0.407 176.132 176.519 0.033 0.000 1.230 8 W CA -1.061 56.265 57.345 -0.032 0.000 1.253 8 W CB 1.336 30.753 29.460 -0.072 0.000 1.129 8 W HN 0.388 nan 8.180 nan 0.000 0.590 9 c N 4.785 123.618 118.600 0.388 0.000 2.273 9 c HA 0.709 5.282 4.570 0.005 0.000 0.328 9 c C 0.240 174.624 174.090 0.490 0.000 1.275 9 c CA -0.349 56.191 56.329 0.352 0.000 1.704 9 c CB -0.786 41.828 42.510 0.174 0.000 2.326 9 c HN 0.536 nan 8.230 nan 0.000 0.517 10 A N 5.962 129.026 122.820 0.407 0.000 2.288 10 A HA 0.677 5.000 4.320 0.005 0.000 0.320 10 A C -0.138 177.623 177.584 0.296 0.000 1.217 10 A CA -0.502 51.769 52.037 0.390 0.000 0.840 10 A CB 0.288 19.607 19.000 0.531 0.000 1.179 10 A HN 1.048 nan 8.150 nan 0.000 0.504 11 I N 1.247 121.960 120.570 0.239 0.000 2.578 11 I HA 0.589 4.762 4.170 0.005 0.000 0.284 11 I C 0.056 176.255 176.117 0.137 0.000 1.156 11 I CA 0.133 61.531 61.300 0.163 0.000 1.165 11 I CB -0.349 37.739 38.000 0.147 0.000 1.567 11 I HN 0.624 nan 8.210 nan 0.000 0.546 12 S N 3.888 119.660 115.700 0.122 0.000 4.063 12 S HA 0.406 4.879 4.470 0.005 0.000 0.275 12 S C -0.222 174.409 174.600 0.051 0.000 1.029 12 S CA -0.509 57.750 58.200 0.097 0.000 1.325 12 S CB 0.954 64.243 63.200 0.148 0.000 1.800 12 S HN 0.405 nan 8.310 nan 0.000 0.406 13 L N 0.505 121.800 121.223 0.119 0.000 2.824 13 L HA 0.298 4.641 4.340 0.005 0.000 0.284 13 L C -1.675 175.387 176.870 0.320 0.000 1.031 13 L CA 0.292 55.239 54.840 0.180 0.000 1.226 13 L CB 1.119 43.198 42.059 0.033 0.000 2.283 13 L HN 0.468 nan 8.230 nan 0.000 0.569 14 P HA -0.066 nan 4.420 nan 0.000 0.245 14 P C 0.800 178.180 177.300 0.135 0.000 1.206 14 P CA 0.979 64.173 63.100 0.156 0.000 0.781 14 P CB 0.448 32.205 31.700 0.094 0.000 0.994 15 E N -1.037 119.264 120.200 0.169 0.000 2.389 15 E HA -0.055 4.298 4.350 0.005 0.000 0.199 15 E C 1.626 178.329 176.600 0.172 0.000 0.978 15 E CA -0.187 56.281 56.400 0.114 0.000 0.912 15 E CB -0.402 29.374 29.700 0.125 0.000 0.907 15 E HN 0.111 nan 8.360 nan 0.000 0.494 16 W N 0.318 121.664 121.300 0.078 0.000 2.640 16 W HA 0.236 4.899 4.660 0.005 0.000 0.268 16 W C 1.689 178.331 176.519 0.205 0.000 1.263 16 W CA 0.762 58.189 57.345 0.137 0.000 1.344 16 W CB 0.324 29.853 29.460 0.115 0.000 1.093 16 W HN -0.048 nan 8.180 nan 0.000 0.603 17 S N 0.122 115.979 115.700 0.262 0.000 2.548 17 S HA 0.019 4.492 4.470 0.005 0.000 0.215 17 S C 1.682 176.322 174.600 0.066 0.000 0.976 17 S CA 0.375 58.633 58.200 0.097 0.000 0.908 17 S CB -0.129 63.212 63.200 0.234 0.000 0.781 17 S HN 0.282 nan 8.310 nan 0.000 0.519 18 K N 0.030 120.475 120.400 0.075 0.000 2.211 18 K HA 0.082 4.405 4.320 0.005 0.000 0.201 18 K C 1.960 178.642 176.600 0.137 0.000 1.052 18 K CA 0.578 56.945 56.287 0.133 0.000 0.973 18 K CB -0.239 32.269 32.500 0.013 0.000 0.766 18 K HN 0.315 nan 8.250 nan 0.000 0.466 19 c N 0.769 119.362 118.600 -0.012 0.000 2.449 19 c HA 0.008 4.581 4.570 0.005 0.000 0.283 19 c C 1.624 175.495 174.090 -0.366 0.000 1.453 19 c CA 0.398 56.646 56.329 -0.135 0.000 1.779 19 c CB -0.949 41.441 42.510 -0.202 0.000 1.779 19 c HN 0.514 nan 8.230 nan 0.000 0.546 20 Y N -1.156 118.938 120.300 -0.343 0.000 2.430 20 Y HA 0.164 4.717 4.550 0.005 0.000 0.248 20 Y C 2.439 178.166 175.900 -0.289 0.000 1.108 20 Y CA 0.365 58.241 58.100 -0.373 0.000 1.264 20 Y CB -0.089 38.068 38.460 -0.505 0.000 1.172 20 Y HN 0.253 nan 8.280 nan 0.000 0.520 21 Q N -1.472 118.251 119.800 -0.128 0.000 2.389 21 Q HA -0.149 4.194 4.340 0.005 0.000 0.204 21 Q C 1.324 176.836 176.000 -0.813 0.000 0.944 21 Q CA 0.839 56.510 55.803 -0.219 0.000 0.908 21 Q CB 0.047 28.868 28.738 0.138 0.000 1.002 21 Q HN 0.527 nan 8.270 nan 0.000 0.493 22 W N 0.627 121.301 121.300 -1.043 0.000 2.640 22 W HA 0.057 4.721 4.660 0.005 0.000 0.271 22 W C 1.886 177.991 176.519 -0.691 0.000 1.218 22 W CA 0.588 57.226 57.345 -1.177 0.000 1.382 22 W CB -0.021 28.933 29.460 -0.843 0.000 1.067 22 W HN 0.087 nan 8.180 nan 0.000 0.590 23 Q N 0.169 119.662 119.800 -0.512 0.000 2.224 23 Q HA -0.167 4.176 4.340 0.005 0.000 0.203 23 Q C 2.219 178.012 176.000 -0.345 0.000 0.970 23 Q CA 1.034 56.519 55.803 -0.530 0.000 0.865 23 Q CB -0.052 28.246 28.738 -0.733 0.000 0.922 23 Q HN -0.018 nan 8.270 nan 0.000 0.445 24 R N 0.617 120.951 120.500 -0.275 0.000 2.052 24 R HA 0.011 4.354 4.340 0.005 0.000 0.226 24 R C 2.110 178.327 176.300 -0.138 0.000 1.145 24 R CA 1.332 57.332 56.100 -0.168 0.000 0.952 24 R CB -0.271 29.949 30.300 -0.132 0.000 0.847 24 R HN 0.281 nan 8.270 nan 0.000 0.431 25 R N -0.221 120.169 120.500 -0.184 0.000 2.249 25 R HA -0.135 4.209 4.340 0.005 0.000 0.230 25 R C 1.937 178.281 176.300 0.073 0.000 1.121 25 R CA 1.049 57.110 56.100 -0.065 0.000 0.997 25 R CB -0.188 29.955 30.300 -0.262 0.000 0.867 25 R HN 0.120 nan 8.270 nan 0.000 0.465 26 M N 0.047 119.615 119.600 -0.053 0.000 2.112 26 M HA 0.002 4.485 4.480 0.005 0.000 0.246 26 M C 1.921 178.201 176.300 -0.033 0.000 1.140 26 M CA 1.375 56.665 55.300 -0.017 0.000 1.133 26 M CB -0.293 32.201 32.600 -0.176 0.000 1.222 26 M HN -0.255 nan 8.290 nan 0.000 0.434 27 R N 0.631 121.078 120.500 -0.089 0.000 2.316 27 R HA -0.126 4.217 4.340 0.005 0.000 0.232 27 R C 1.855 178.134 176.300 -0.036 0.000 1.137 27 R CA 0.987 57.048 56.100 -0.066 0.000 1.012 27 R CB -0.449 29.802 30.300 -0.083 0.000 0.859 27 R HN 0.422 nan 8.270 nan 0.000 0.474 28 K N 0.026 120.413 120.400 -0.023 0.000 2.116 28 K HA -0.031 4.292 4.320 0.005 0.000 0.203 28 K C 1.800 178.405 176.600 0.009 0.000 1.052 28 K CA 0.509 56.793 56.287 -0.005 0.000 0.952 28 K CB -0.101 32.401 32.500 0.003 0.000 0.729 28 K HN 0.173 nan 8.250 nan 0.000 0.446 29 L N 0.282 121.522 121.223 0.027 0.000 2.478 29 L HA 0.057 4.401 4.340 0.005 0.000 0.223 29 L C -0.097 176.776 176.870 0.004 0.000 1.140 29 L CA 1.289 56.145 54.840 0.026 0.000 0.842 29 L CB -0.509 41.592 42.059 0.070 0.000 0.953 29 L HN 0.359 nan 8.230 nan 0.000 0.452 30 G N 0.847 109.644 108.800 -0.005 0.000 2.897 30 G HA2 0.195 4.158 3.960 0.005 0.000 0.436 30 G HA3 0.195 4.158 3.960 0.005 0.000 0.436 30 G C -0.332 174.554 174.900 -0.023 0.000 1.079 30 G CA 0.029 45.120 45.100 -0.015 0.000 1.090 30 G HN 1.088 nan 8.290 nan 0.000 0.480 31 A N 3.702 126.499 122.820 -0.039 0.000 2.522 31 A HA 0.868 5.191 4.320 0.005 0.000 0.294 31 A C -2.884 174.655 177.584 -0.074 0.000 1.001 31 A CA -0.458 51.548 52.037 -0.051 0.000 0.642 31 A CB 0.937 19.904 19.000 -0.055 0.000 1.326 31 A HN 0.908 nan 8.150 nan 0.000 0.435 32 P HA 0.022 nan 4.420 nan 0.000 0.238 32 P C 0.539 177.764 177.300 -0.125 0.000 1.090 32 P CA 1.129 64.176 63.100 -0.087 0.000 0.944 32 P CB -0.628 31.024 31.700 -0.080 0.000 0.881 33 S N 3.900 119.530 115.700 -0.117 0.000 2.998 33 S HA -0.039 4.434 4.470 0.005 0.000 0.348 33 S C 0.501 174.991 174.600 -0.184 0.000 1.210 33 S CA -0.401 57.710 58.200 -0.148 0.000 1.118 33 S CB -0.681 62.450 63.200 -0.114 0.000 0.832 33 S HN 0.262 nan 8.310 nan 0.000 0.516 34 I N 4.144 124.553 120.570 -0.269 0.000 2.598 34 I HA 0.074 4.247 4.170 0.005 0.000 0.284 34 I C 0.935 176.875 176.117 -0.295 0.000 1.140 34 I CA 0.080 61.193 61.300 -0.312 0.000 1.420 34 I CB 0.164 37.858 38.000 -0.512 0.000 1.387 34 I HN 0.629 nan 8.210 nan 0.000 0.553 35 T N 4.364 118.800 114.554 -0.196 0.000 2.882 35 T HA 0.382 4.735 4.350 0.005 0.000 0.287 35 T C -0.390 174.215 174.700 -0.158 0.000 0.992 35 T CA -0.590 61.417 62.100 -0.156 0.000 1.076 35 T CB 1.038 69.870 68.868 -0.060 0.000 0.961 35 T HN 0.511 nan 8.240 nan 0.000 0.490 36 c N 2.823 121.302 118.600 -0.202 0.000 2.408 36 c HA 0.663 5.236 4.570 0.005 0.000 0.321 36 c C 0.232 174.427 174.090 0.174 0.000 1.245 36 c CA -0.699 55.562 56.329 -0.113 0.000 1.523 36 c CB 0.727 42.945 42.510 -0.487 0.000 2.178 36 c HN 0.770 nan 8.230 nan 0.000 0.488 37 V N 3.937 124.014 119.914 0.271 0.000 2.532 37 V HA 0.487 4.610 4.120 0.005 0.000 0.295 37 V C 0.262 176.635 176.094 0.464 0.000 1.041 37 V CA -0.632 61.867 62.300 0.331 0.000 0.926 37 V CB 1.561 33.500 31.823 0.194 0.000 0.992 37 V HN 0.797 nan 8.190 nan 0.000 0.457 38 R N 2.971 123.688 120.500 0.362 0.000 2.308 38 R HA 0.669 5.012 4.340 0.005 0.000 0.305 38 R C -0.214 176.141 176.300 0.091 0.000 1.053 38 R CA -0.124 56.068 56.100 0.154 0.000 0.957 38 R CB 0.666 30.943 30.300 -0.038 0.000 1.022 38 R HN 0.773 nan 8.270 nan 0.000 0.461 39 R N 0.578 121.117 120.500 0.066 0.000 3.720 39 R HA 0.470 4.813 4.340 0.005 0.000 0.258 39 R C -0.547 175.766 176.300 0.022 0.000 1.014 39 R CA -0.184 55.944 56.100 0.046 0.000 0.849 39 R CB 1.253 31.601 30.300 0.079 0.000 1.669 39 R HN 0.706 nan 8.270 nan 0.000 0.399 40 T N -1.854 112.714 114.554 0.023 0.000 3.404 40 T HA 0.180 4.533 4.350 0.005 0.000 0.110 40 T C -0.280 174.421 174.700 0.001 0.000 0.732 40 T CA -0.249 61.854 62.100 0.005 0.000 0.698 40 T CB -0.403 68.449 68.868 -0.027 0.000 1.109 40 T HN 0.348 nan 8.240 nan 0.000 0.242 41 S N 1.498 117.182 115.700 -0.027 0.000 2.572 41 S HA 0.169 4.642 4.470 0.005 0.000 0.267 41 S C 1.709 176.306 174.600 -0.005 0.000 1.361 41 S CA -0.344 57.829 58.200 -0.045 0.000 1.009 41 S CB 0.697 63.861 63.200 -0.061 0.000 0.888 41 S HN 0.329 nan 8.310 nan 0.000 0.553 42 V N 1.199 121.117 119.914 0.005 0.000 2.568 42 V HA -0.129 3.994 4.120 0.005 0.000 0.253 42 V C 1.657 177.767 176.094 0.026 0.000 1.072 42 V CA 1.512 63.851 62.300 0.064 0.000 1.084 42 V CB -0.546 31.346 31.823 0.116 0.000 0.676 42 V HN 0.620 nan 8.190 nan 0.000 0.469 43 L N -0.745 120.460 121.223 -0.030 0.000 2.554 43 L HA 0.149 4.493 4.340 0.005 0.000 0.225 43 L C 2.119 178.922 176.870 -0.111 0.000 1.104 43 L CA 0.918 55.698 54.840 -0.100 0.000 0.866 43 L CB -0.967 40.990 42.059 -0.170 0.000 1.047 43 L HN 0.432 nan 8.230 nan 0.000 0.468 44 E N -1.017 119.146 120.200 -0.061 0.000 2.515 44 E HA -0.161 4.192 4.350 0.005 0.000 0.201 44 E C 1.486 178.069 176.600 -0.029 0.000 1.071 44 E CA 0.427 56.796 56.400 -0.052 0.000 0.880 44 E CB 0.250 29.932 29.700 -0.031 0.000 0.828 44 E HN 0.426 nan 8.360 nan 0.000 0.540 45 c N -0.890 117.698 118.600 -0.019 0.000 3.545 45 c HA 0.326 4.899 4.570 0.005 0.000 0.368 45 c C 1.906 175.983 174.090 -0.022 0.000 1.400 45 c CA -0.451 55.883 56.329 0.009 0.000 1.848 45 c CB 0.000 42.554 42.510 0.073 0.000 2.576 45 c HN 0.459 nan 8.230 nan 0.000 0.683 46 I N 1.137 121.669 120.570 -0.062 0.000 3.059 46 I HA -0.029 4.144 4.170 0.005 0.000 0.270 46 I C 2.581 178.599 176.117 -0.164 0.000 1.238 46 I CA 0.917 62.167 61.300 -0.084 0.000 1.478 46 I CB -0.192 37.750 38.000 -0.097 0.000 1.097 46 I HN 0.324 nan 8.210 nan 0.000 0.455 47 R N 1.195 121.570 120.500 -0.208 0.000 2.146 47 R HA 0.116 4.460 4.340 0.005 0.000 0.206 47 R C 2.077 178.336 176.300 -0.068 0.000 1.049 47 R CA 1.051 57.017 56.100 -0.223 0.000 1.029 47 R CB -0.117 30.018 30.300 -0.275 0.000 0.949 47 R HN 0.153 nan 8.270 nan 0.000 0.471 48 A N 0.274 123.064 122.820 -0.050 0.000 2.239 48 A HA 0.062 4.385 4.320 0.005 0.000 0.209 48 A C 1.512 179.086 177.584 -0.016 0.000 1.171 48 A CA 0.613 52.639 52.037 -0.018 0.000 0.768 48 A CB -0.201 18.797 19.000 -0.004 0.000 0.790 48 A HN 0.349 nan 8.150 nan 0.000 0.478 49 I N -1.297 119.259 120.570 -0.023 0.000 2.729 49 I HA 0.087 4.260 4.170 0.005 0.000 0.256 49 I C 2.558 178.674 176.117 -0.002 0.000 1.115 49 I CA 1.120 62.403 61.300 -0.028 0.000 1.446 49 I CB -0.221 37.754 38.000 -0.041 0.000 1.176 49 I HN 0.210 nan 8.210 nan 0.000 0.446 50 A N -0.050 122.787 122.820 0.028 0.000 2.178 50 A HA 0.035 4.358 4.320 0.005 0.000 0.218 50 A C 2.133 179.752 177.584 0.058 0.000 1.157 50 A CA 1.608 53.690 52.037 0.074 0.000 0.689 50 A CB -1.085 18.032 19.000 0.194 0.000 0.787 50 A HN 0.450 nan 8.150 nan 0.000 0.465 51 G N -2.039 106.781 108.800 0.033 0.000 3.062 51 G HA2 0.310 4.273 3.960 0.005 0.000 0.228 51 G HA3 0.310 4.273 3.960 0.005 0.000 0.228 51 G C 0.540 175.446 174.900 0.010 0.000 1.094 51 G CA 0.295 45.409 45.100 0.024 0.000 0.782 51 G HN 0.376 nan 8.290 nan 0.000 0.541 52 K N -0.447 119.955 120.400 0.002 0.000 3.251 52 K HA -0.149 4.174 4.320 0.005 0.000 0.282 52 K C 0.242 176.839 176.600 -0.006 0.000 1.201 52 K CA 0.624 56.907 56.287 -0.006 0.000 0.827 52 K CB -1.189 31.307 32.500 -0.006 0.000 1.286 52 K HN 0.317 nan 8.250 nan 0.000 0.503 53 N N -0.468 118.231 118.700 -0.003 0.000 2.239 53 N HA 0.129 4.872 4.740 0.005 0.000 0.208 53 N C -0.287 175.228 175.510 0.008 0.000 1.200 53 N CA 0.618 53.672 53.050 0.006 0.000 0.895 53 N CB 1.239 39.734 38.487 0.013 0.000 1.085 53 N HN 0.334 nan 8.380 nan 0.000 0.500 54 A N 0.708 123.525 122.820 -0.004 0.000 2.410 54 A HA 0.400 4.724 4.320 0.005 0.000 0.289 54 A C -0.374 177.172 177.584 -0.063 0.000 1.200 54 A CA -0.603 51.427 52.037 -0.012 0.000 0.751 54 A CB 0.754 19.758 19.000 0.007 0.000 1.161 54 A HN -0.064 nan 8.150 nan 0.000 0.459 55 D N 1.447 121.791 120.400 -0.094 0.000 2.340 55 D HA 0.342 4.986 4.640 0.005 0.000 0.220 55 D C 0.746 176.897 176.300 -0.248 0.000 1.039 55 D CA 1.335 55.252 54.000 -0.139 0.000 0.866 55 D CB 0.655 41.391 40.800 -0.107 0.000 0.913 55 D HN 0.696 nan 8.370 nan 0.000 0.523 56 A N -0.245 122.328 122.820 -0.412 0.000 2.515 56 A HA 0.692 5.015 4.320 0.005 0.000 0.299 56 A C -1.485 175.653 177.584 -0.743 0.000 1.179 56 A CA -0.680 50.957 52.037 -0.668 0.000 0.656 56 A CB 2.190 20.532 19.000 -1.098 0.000 1.306 56 A HN 0.095 nan 8.150 nan 0.000 0.459 57 V N -0.558 118.956 119.914 -0.667 0.000 2.769 57 V HA 0.444 4.567 4.120 0.005 0.000 0.247 57 V C -1.306 174.941 176.094 0.255 0.000 1.794 57 V CA 0.146 62.373 62.300 -0.121 0.000 0.860 57 V CB 1.444 33.273 31.823 0.010 0.000 1.327 57 V HN 1.365 nan 8.190 nan 0.000 0.476 58 T N 7.926 122.868 114.554 0.646 0.000 2.733 58 T HA 0.740 5.093 4.350 0.005 0.000 0.294 58 T C -0.274 174.740 174.700 0.524 0.000 0.956 58 T CA 0.028 62.557 62.100 0.715 0.000 0.987 58 T CB 0.238 69.796 68.868 1.150 0.000 0.920 58 T HN 0.550 nan 8.240 nan 0.000 0.470 59 L N 2.264 123.727 121.223 0.399 0.000 2.257 59 L HA 0.669 5.012 4.340 0.005 0.000 0.257 59 L C 0.152 177.042 176.870 0.032 0.000 1.033 59 L CA -1.301 53.685 54.840 0.244 0.000 0.835 59 L CB 1.260 43.421 42.059 0.171 0.000 1.398 59 L HN 0.402 nan 8.230 nan 0.000 0.429 60 D N -0.591 119.583 120.400 -0.376 0.000 2.340 60 D HA 0.081 4.724 4.640 0.005 0.000 0.251 60 D C -0.126 176.155 176.300 -0.031 0.000 1.080 60 D CA -0.196 53.275 54.000 -0.882 0.000 0.971 60 D CB 1.668 42.128 40.800 -0.568 0.000 1.137 60 D HN 0.469 nan 8.370 nan 0.000 0.475 61 D N 1.245 121.754 120.400 0.181 0.000 2.194 61 D HA -0.002 4.641 4.640 0.005 0.000 0.204 61 D C 1.861 178.388 176.300 0.379 0.000 0.964 61 D CA 0.849 55.059 54.000 0.350 0.000 0.846 61 D CB -0.396 40.665 40.800 0.434 0.000 0.962 61 D HN 0.632 nan 8.370 nan 0.000 0.490 62 G N 0.407 109.441 108.800 0.390 0.000 2.462 62 G HA2 -0.232 3.731 3.960 0.005 0.000 0.220 62 G HA3 -0.232 3.731 3.960 0.005 0.000 0.220 62 G C 1.463 176.560 174.900 0.328 0.000 1.121 62 G CA 0.466 45.792 45.100 0.378 0.000 0.758 62 G HN 0.152 nan 8.290 nan 0.000 0.559 63 M N -0.258 119.495 119.600 0.255 0.000 2.501 63 M HA 0.227 4.710 4.480 0.005 0.000 0.261 63 M C 2.326 178.738 176.300 0.187 0.000 1.129 63 M CA 0.378 55.800 55.300 0.203 0.000 1.126 63 M CB 0.418 33.107 32.600 0.149 0.000 1.359 63 M HN 0.147 nan 8.290 nan 0.000 0.471 64 V N 0.146 120.190 119.914 0.217 0.000 3.406 64 V HA -0.143 3.980 4.120 0.005 0.000 0.263 64 V C 1.721 177.931 176.094 0.193 0.000 1.172 64 V CA 0.765 63.177 62.300 0.187 0.000 1.140 64 V CB -0.486 31.462 31.823 0.208 0.000 0.784 64 V HN 0.406 nan 8.190 nan 0.000 0.467 65 F N 0.537 120.543 119.950 0.093 0.000 2.615 65 F HA 0.141 4.671 4.527 0.005 0.000 0.297 65 F C 1.841 177.672 175.800 0.052 0.000 1.124 65 F CA 1.504 59.531 58.000 0.045 0.000 1.451 65 F CB 0.206 39.196 39.000 -0.017 0.000 1.103 65 F HN 0.200 nan 8.300 nan 0.000 0.569 66 E N 0.493 120.637 120.200 -0.094 0.000 2.127 66 E HA 0.247 4.600 4.350 0.005 0.000 0.191 66 E C 2.036 178.617 176.600 -0.033 0.000 0.964 66 E CA 0.893 57.204 56.400 -0.148 0.000 0.832 66 E CB -0.180 29.566 29.700 0.077 0.000 0.790 66 E HN 0.282 nan 8.360 nan 0.000 0.465 67 A N -0.084 122.762 122.820 0.042 0.000 2.239 67 A HA 0.183 4.506 4.320 0.005 0.000 0.209 67 A C 1.418 179.047 177.584 0.075 0.000 1.171 67 A CA 1.020 53.117 52.037 0.100 0.000 0.768 67 A CB -0.337 18.707 19.000 0.073 0.000 0.790 67 A HN 0.201 nan 8.150 nan 0.000 0.478 68 G N -0.796 107.989 108.800 -0.025 0.000 4.543 68 G HA2 0.369 4.332 3.960 0.005 0.000 0.286 68 G HA3 0.369 4.332 3.960 0.005 0.000 0.286 68 G C 0.481 175.287 174.900 -0.156 0.000 1.112 68 G CA -0.448 44.614 45.100 -0.064 0.000 0.870 68 G HN 0.119 nan 8.290 nan 0.000 0.540 69 R N 0.265 120.652 120.500 -0.188 0.000 2.515 69 R HA 0.350 4.693 4.340 0.005 0.000 0.209 69 R C 0.218 176.407 176.300 -0.185 0.000 1.255 69 R CA -0.267 55.695 56.100 -0.229 0.000 1.006 69 R CB -0.169 29.988 30.300 -0.240 0.000 1.839 69 R HN 0.036 nan 8.270 nan 0.000 0.514 70 D N 0.436 120.719 120.400 -0.194 0.000 2.360 70 D HA 0.061 4.704 4.640 0.005 0.000 0.210 70 D C -1.230 174.895 176.300 -0.292 0.000 1.047 70 D CA -0.076 53.809 54.000 -0.191 0.000 0.854 70 D CB -0.393 40.327 40.800 -0.134 0.000 0.936 70 D HN 0.366 nan 8.370 nan 0.000 0.514 71 P HA -0.157 nan 4.420 nan 0.000 0.215 71 P C 0.717 177.390 177.300 -1.044 0.000 1.157 71 P CA 1.307 63.945 63.100 -0.770 0.000 0.859 71 P CB 0.097 31.221 31.700 -0.961 0.000 0.786 72 Y N -0.025 120.247 120.300 -0.046 0.000 2.254 72 Y HA 0.248 4.801 4.550 0.006 0.000 0.274 72 Y C 0.869 176.744 175.900 -0.042 0.000 1.093 72 Y CA 0.125 58.202 58.100 -0.039 0.000 1.105 72 Y CB -0.657 37.781 38.460 -0.036 0.000 1.041 72 Y HN -0.196 nan 8.280 nan 0.000 0.489 73 K N 0.412 120.810 120.400 -0.002 0.000 3.493 73 K HA -0.043 4.280 4.320 0.005 0.000 0.735 73 K C -1.859 174.746 176.600 0.009 0.000 1.091 73 K CA 0.197 56.471 56.287 -0.020 0.000 1.154 73 K CB -2.064 30.407 32.500 -0.048 0.000 2.332 73 K HN 0.315 nan 8.250 nan 0.000 0.339 74 L N 1.479 122.712 121.223 0.017 0.000 2.409 74 L HA 0.564 4.907 4.340 0.005 0.000 0.272 74 L C 0.478 177.344 176.870 -0.007 0.000 0.980 74 L CA -1.129 53.716 54.840 0.009 0.000 0.826 74 L CB 1.768 43.843 42.059 0.028 0.000 1.268 74 L HN 0.304 nan 8.230 nan 0.000 0.407 75 R N 2.203 122.689 120.500 -0.023 0.000 2.428 75 R HA 0.632 4.975 4.340 0.005 0.000 0.294 75 R C -2.730 173.538 176.300 -0.053 0.000 1.000 75 R CA -1.768 54.309 56.100 -0.038 0.000 0.960 75 R CB 0.895 31.166 30.300 -0.049 0.000 1.076 75 R HN 0.266 nan 8.270 nan 0.000 0.475 76 P HA -0.026 nan 4.420 nan 0.000 0.280 76 P C 0.608 177.839 177.300 -0.115 0.000 1.244 76 P CA -0.460 62.561 63.100 -0.131 0.000 0.784 76 P CB 1.611 33.113 31.700 -0.330 0.000 0.913 77 V N 0.941 120.833 119.914 -0.037 0.000 2.795 77 V HA 0.436 4.559 4.120 0.005 0.000 0.243 77 V C 0.916 177.053 176.094 0.072 0.000 1.069 77 V CA 0.934 63.238 62.300 0.007 0.000 1.089 77 V CB -0.863 30.989 31.823 0.049 0.000 0.756 77 V HN 0.556 nan 8.190 nan 0.000 0.471 78 A N 0.859 123.781 122.820 0.170 0.000 2.466 78 A HA 0.872 5.196 4.320 0.005 0.000 0.291 78 A C 0.164 177.961 177.584 0.355 0.000 1.234 78 A CA 0.047 52.288 52.037 0.341 0.000 0.752 78 A CB 0.441 19.822 19.000 0.636 0.000 1.153 78 A HN 1.101 nan 8.150 nan 0.000 0.458 79 A N 1.980 124.971 122.820 0.284 0.000 2.531 79 A HA 0.392 4.715 4.320 0.005 0.000 0.236 79 A C 0.382 178.088 177.584 0.203 0.000 1.062 79 A CA 0.274 52.527 52.037 0.361 0.000 0.760 79 A CB 0.012 19.338 19.000 0.543 0.000 0.995 79 A HN 0.820 nan 8.150 nan 0.000 0.501 80 E N 1.404 121.641 120.200 0.062 0.000 2.283 80 E HA 0.449 4.803 4.350 0.005 0.000 0.278 80 E C -0.784 175.480 176.600 -0.560 0.000 1.027 80 E CA -0.317 55.885 56.400 -0.331 0.000 0.843 80 E CB 0.653 30.163 29.700 -0.316 0.000 1.062 80 E HN 0.601 nan 8.360 nan 0.000 0.401 81 I N 4.676 124.907 120.570 -0.564 0.000 2.396 81 I HA 0.180 4.353 4.170 0.005 0.000 0.292 81 I C -0.718 175.060 176.117 -0.565 0.000 0.999 81 I CA -0.441 60.562 61.300 -0.494 0.000 1.310 81 I CB 0.386 38.245 38.000 -0.234 0.000 1.404 81 I HN 0.545 nan 8.210 nan 0.000 0.496 82 Y N 3.480 123.686 120.300 -0.157 0.000 2.654 82 Y HA 0.762 5.315 4.550 0.005 0.000 0.327 82 Y C 0.886 176.671 175.900 -0.192 0.000 1.122 82 Y CA -0.812 57.162 58.100 -0.209 0.000 1.227 82 Y CB 0.766 39.084 38.460 -0.237 0.000 1.370 82 Y HN 0.761 nan 8.280 nan 0.000 0.528 83 G N 0.290 109.086 108.800 -0.007 0.000 2.512 83 G HA2 -0.111 3.852 3.960 0.005 0.000 0.240 83 G HA3 -0.111 3.852 3.960 0.005 0.000 0.240 83 G C -0.541 174.317 174.900 -0.070 0.000 1.246 83 G CA -0.219 44.831 45.100 -0.082 0.000 0.919 83 G HN 0.724 nan 8.290 nan 0.000 0.577 84 T N -0.333 114.192 114.554 -0.049 0.000 2.910 84 T HA 0.616 4.969 4.350 0.005 0.000 0.287 84 T C 1.177 175.861 174.700 -0.026 0.000 1.050 84 T CA 0.208 62.286 62.100 -0.037 0.000 1.011 84 T CB 2.179 71.034 68.868 -0.023 0.000 1.195 84 T HN 0.621 nan 8.240 nan 0.000 0.540 85 E N 0.687 120.875 120.200 -0.020 0.000 2.005 85 E HA -0.180 4.173 4.350 0.005 0.000 0.198 85 E C 1.648 178.246 176.600 -0.004 0.000 1.010 85 E CA 1.491 57.884 56.400 -0.012 0.000 0.825 85 E CB -0.071 29.624 29.700 -0.008 0.000 0.769 85 E HN 0.452 nan 8.360 nan 0.000 0.456 86 K N -0.082 120.318 120.400 -0.000 0.000 2.442 86 K HA -0.068 4.255 4.320 0.005 0.000 0.200 86 K C 0.295 176.899 176.600 0.008 0.000 1.045 86 K CA 0.742 57.032 56.287 0.004 0.000 0.937 86 K CB 0.100 32.603 32.500 0.005 0.000 0.757 86 K HN -0.071 nan 8.250 nan 0.000 0.474 87 S N 1.433 117.136 115.700 0.005 0.000 2.312 87 S HA 0.188 4.661 4.470 0.005 0.000 0.173 87 S C -2.703 171.896 174.600 -0.001 0.000 1.488 87 S CA -1.231 56.975 58.200 0.010 0.000 1.239 87 S CB 1.527 64.739 63.200 0.020 0.000 1.215 87 S HN 0.016 nan 8.310 nan 0.000 0.438 88 P HA 0.230 nan 4.420 nan 0.000 0.295 88 P C -0.971 176.319 177.300 -0.016 0.000 1.354 88 P CA -0.463 62.622 63.100 -0.024 0.000 0.814 88 P CB 0.539 32.220 31.700 -0.031 0.000 0.935 89 Q N 1.518 121.302 119.800 -0.026 0.000 2.377 89 Q HA 0.251 4.594 4.340 0.005 0.000 0.249 89 Q C 0.611 176.563 176.000 -0.080 0.000 1.005 89 Q CA -0.530 55.248 55.803 -0.041 0.000 0.912 89 Q CB 0.240 28.901 28.738 -0.127 0.000 1.223 89 Q HN 0.387 nan 8.270 nan 0.000 0.459 90 T N -1.319 113.230 114.554 -0.008 0.000 3.160 90 T HA -0.061 4.292 4.350 0.005 0.000 0.257 90 T C 0.685 175.390 174.700 0.009 0.000 1.147 90 T CA 0.725 62.792 62.100 -0.054 0.000 1.064 90 T CB -0.375 68.464 68.868 -0.048 0.000 0.949 90 T HN 0.798 nan 8.240 nan 0.000 0.526 91 H N -0.484 118.567 119.070 -0.032 0.000 3.379 91 H HA 0.670 5.229 4.556 0.005 0.000 0.298 91 H C -0.376 175.085 175.328 0.222 0.000 1.672 91 H CA -1.197 54.834 56.048 -0.028 0.000 1.446 91 H CB 0.455 30.132 29.762 -0.141 0.000 1.710 91 H HN 0.333 nan 8.280 nan 0.000 0.791 92 Y N -2.022 118.215 120.300 -0.105 0.000 2.953 92 Y HA 0.597 5.150 4.550 0.005 0.000 0.321 92 Y C -1.848 173.927 175.900 -0.208 0.000 1.514 92 Y CA -1.476 56.580 58.100 -0.074 0.000 1.091 92 Y CB 0.539 39.030 38.460 0.051 0.000 1.700 92 Y HN 0.522 nan 8.280 nan 0.000 0.436 93 Y N -0.256 120.236 120.300 0.320 0.000 2.833 93 Y HA 0.868 5.421 4.550 0.005 0.000 0.319 93 Y C -0.564 175.441 175.900 0.175 0.000 1.254 93 Y CA -1.263 56.937 58.100 0.167 0.000 1.138 93 Y CB 2.357 40.869 38.460 0.086 0.000 1.352 93 Y HN 0.853 nan 8.280 nan 0.000 0.546 94 A N 0.951 123.899 122.820 0.213 0.000 2.893 94 A HA 0.526 4.849 4.320 0.005 0.000 0.298 94 A C -0.873 176.759 177.584 0.080 0.000 1.227 94 A CA -0.372 51.739 52.037 0.123 0.000 0.845 94 A CB -0.516 18.528 19.000 0.073 0.000 1.430 94 A HN 0.684 nan 8.150 nan 0.000 0.493 95 V N -1.085 118.885 119.914 0.094 0.000 3.700 95 V HA 0.945 5.068 4.120 0.005 0.000 0.277 95 V C 0.663 176.859 176.094 0.170 0.000 1.067 95 V CA -0.048 62.318 62.300 0.110 0.000 0.897 95 V CB 1.563 33.455 31.823 0.115 0.000 1.231 95 V HN 1.743 nan 8.190 nan 0.000 0.425 96 A N -0.439 122.514 122.820 0.221 0.000 3.045 96 A HA 0.495 4.818 4.320 0.005 0.000 0.244 96 A C 0.246 177.972 177.584 0.237 0.000 0.917 96 A CA 0.290 52.550 52.037 0.373 0.000 1.075 96 A CB 0.120 19.444 19.000 0.540 0.000 1.202 96 A HN 1.662 nan 8.150 nan 0.000 0.486 97 V N 1.435 121.443 119.914 0.158 0.000 3.020 97 V HA -0.079 4.044 4.120 0.005 0.000 0.219 97 V C 0.276 176.526 176.094 0.260 0.000 1.051 97 V CA 1.145 63.530 62.300 0.142 0.000 1.223 97 V CB -1.205 30.608 31.823 -0.016 0.000 1.039 97 V HN 0.379 nan 8.190 nan 0.000 0.510 98 V N 5.912 125.983 119.914 0.261 0.000 2.785 98 V HA 0.235 4.358 4.120 0.005 0.000 0.300 98 V C 0.689 176.878 176.094 0.159 0.000 1.062 98 V CA -0.711 61.732 62.300 0.239 0.000 1.029 98 V CB 1.691 33.651 31.823 0.228 0.000 1.024 98 V HN 0.726 nan 8.190 nan 0.000 0.477 99 K N 3.147 123.518 120.400 -0.048 0.000 2.402 99 K HA 0.057 4.380 4.320 0.005 0.000 0.285 99 K C 0.385 176.818 176.600 -0.279 0.000 1.054 99 K CA 0.047 56.092 56.287 -0.404 0.000 1.001 99 K CB 0.085 32.338 32.500 -0.411 0.000 0.946 99 K HN 0.496 nan 8.250 nan 0.000 0.473 100 K N 2.881 123.128 120.400 -0.255 0.000 2.258 100 K HA -0.171 4.152 4.320 0.005 0.000 0.266 100 K C 0.530 177.033 176.600 -0.162 0.000 1.204 100 K CA 1.032 57.227 56.287 -0.153 0.000 1.206 100 K CB -0.365 32.067 32.500 -0.113 0.000 0.854 100 K HN 0.911 nan 8.250 nan 0.000 0.453 101 G N 1.792 110.497 108.800 -0.158 0.000 3.505 101 G HA2 -0.174 3.789 3.960 0.005 0.000 0.210 101 G HA3 -0.174 3.789 3.960 0.005 0.000 0.210 101 G C -0.332 174.452 174.900 -0.194 0.000 1.047 101 G CA -0.498 44.511 45.100 -0.150 0.000 0.884 101 G HN 0.486 nan 8.290 nan 0.000 0.434 102 S N 2.112 117.639 115.700 -0.289 0.000 2.430 102 S HA 0.288 4.761 4.470 0.005 0.000 0.282 102 S C 1.030 175.318 174.600 -0.520 0.000 1.186 102 S CA -0.391 57.526 58.200 -0.471 0.000 1.060 102 S CB 0.633 63.400 63.200 -0.722 0.000 0.966 102 S HN 0.403 nan 8.310 nan 0.000 0.501 103 N N 2.412 120.908 118.700 -0.339 0.000 2.461 103 N HA 0.031 4.774 4.740 0.005 0.000 0.188 103 N C 0.293 175.770 175.510 -0.055 0.000 1.134 103 N CA 0.145 53.091 53.050 -0.173 0.000 0.878 103 N CB 0.020 38.465 38.487 -0.069 0.000 0.972 103 N HN 0.597 nan 8.380 nan 0.000 0.456 104 F N 1.179 121.156 119.950 0.044 0.000 2.480 104 F HA 0.391 4.921 4.527 0.005 0.000 0.319 104 F C 0.569 176.410 175.800 0.068 0.000 1.230 104 F CA -1.076 56.961 58.000 0.062 0.000 1.285 104 F CB 0.135 39.182 39.000 0.079 0.000 1.208 104 F HN -0.321 nan 8.300 nan 0.000 0.579 105 K N 0.244 120.911 120.400 0.444 0.000 2.349 105 K HA 0.443 4.766 4.320 0.005 0.000 0.243 105 K C 0.402 177.130 176.600 0.214 0.000 1.058 105 K CA -0.964 55.502 56.287 0.299 0.000 0.871 105 K CB 1.678 34.286 32.500 0.181 0.000 1.337 105 K HN 0.527 nan 8.250 nan 0.000 0.469 106 L N 2.186 123.504 121.223 0.157 0.000 2.127 106 L HA -0.167 4.176 4.340 0.005 0.000 0.211 106 L C 1.446 178.372 176.870 0.094 0.000 1.089 106 L CA 2.031 56.934 54.840 0.107 0.000 0.757 106 L CB -0.491 41.620 42.059 0.087 0.000 0.899 106 L HN 0.790 nan 8.230 nan 0.000 0.434 107 D N -1.357 119.104 120.400 0.103 0.000 2.352 107 D HA -0.174 4.469 4.640 0.005 0.000 0.232 107 D C 0.862 177.235 176.300 0.121 0.000 1.055 107 D CA 0.476 54.539 54.000 0.105 0.000 0.891 107 D CB -0.080 40.770 40.800 0.085 0.000 0.897 107 D HN 0.579 nan 8.370 nan 0.000 0.529 108 Q N 0.004 119.873 119.800 0.115 0.000 2.110 108 Q HA 0.276 4.619 4.340 0.005 0.000 0.232 108 Q C 1.170 177.188 176.000 0.029 0.000 0.810 108 Q CA -0.172 55.702 55.803 0.118 0.000 1.083 108 Q CB 1.033 29.878 28.738 0.178 0.000 1.193 108 Q HN 0.210 nan 8.270 nan 0.000 0.471 109 L N 1.117 122.369 121.223 0.048 0.000 2.660 109 L HA 0.080 4.423 4.340 0.005 0.000 0.238 109 L C 0.599 177.685 176.870 0.360 0.000 1.161 109 L CA 0.366 55.219 54.840 0.021 0.000 0.937 109 L CB 0.162 42.263 42.059 0.070 0.000 1.122 109 L HN 0.263 nan 8.230 nan 0.000 0.435 110 Q N -0.164 119.912 119.800 0.459 0.000 2.314 110 Q HA 0.327 4.670 4.340 0.005 0.000 0.257 110 Q C 1.120 177.318 176.000 0.330 0.000 0.975 110 Q CA 0.718 56.849 55.803 0.546 0.000 0.933 110 Q CB 0.844 29.671 28.738 0.149 0.000 1.195 110 Q HN 0.361 nan 8.270 nan 0.000 0.426 111 G N 2.858 111.893 108.800 0.392 0.000 2.363 111 G HA2 -0.271 3.692 3.960 0.005 0.000 0.238 111 G HA3 -0.271 3.692 3.960 0.005 0.000 0.238 111 G C 0.320 175.389 174.900 0.282 0.000 1.062 111 G CA 0.115 45.377 45.100 0.271 0.000 0.629 111 G HN 0.604 nan 8.290 nan 0.000 0.514 112 Q N 0.960 120.926 119.800 0.276 0.000 2.631 112 Q HA 0.360 4.703 4.340 0.005 0.000 0.210 112 Q C 1.062 177.164 176.000 0.170 0.000 1.094 112 Q CA 0.253 56.175 55.803 0.198 0.000 1.055 112 Q CB 0.399 29.227 28.738 0.150 0.000 1.261 112 Q HN 0.592 nan 8.270 nan 0.000 0.615 113 K N -0.047 120.387 120.400 0.057 0.000 2.829 113 K HA 0.375 4.698 4.320 0.005 0.000 0.302 113 K C 0.155 176.541 176.600 -0.356 0.000 1.028 113 K CA -0.308 55.954 56.287 -0.041 0.000 1.054 113 K CB 0.311 32.811 32.500 0.000 0.000 1.279 113 K HN 0.393 nan 8.250 nan 0.000 0.485 114 S N -1.838 113.638 115.700 -0.374 0.000 2.669 114 S HA 0.367 4.841 4.470 0.005 0.000 0.266 114 S C -1.986 172.413 174.600 -0.335 0.000 1.149 114 S CA -0.749 57.089 58.200 -0.603 0.000 0.842 114 S CB 1.185 63.696 63.200 -1.149 0.000 1.160 114 S HN 0.613 nan 8.310 nan 0.000 0.487 115 c N 2.578 120.930 118.600 -0.412 0.000 3.140 115 c HA 0.426 5.000 4.570 0.005 0.000 0.374 115 c C -1.005 172.964 174.090 -0.202 0.000 1.055 115 c CA -0.699 55.506 56.329 -0.206 0.000 1.315 115 c CB -0.842 41.537 42.510 -0.220 0.000 1.732 115 c HN 0.913 nan 8.230 nan 0.000 0.532 116 H N 1.267 120.352 119.070 0.024 0.000 2.483 116 H HA 0.502 5.061 4.556 0.005 0.000 0.338 116 H C 1.148 176.535 175.328 0.097 0.000 1.152 116 H CA -0.305 55.829 56.048 0.143 0.000 1.264 116 H CB 0.926 30.839 29.762 0.253 0.000 1.510 116 H HN 0.521 nan 8.280 nan 0.000 0.530 117 M N 0.798 120.503 119.600 0.176 0.000 2.074 117 M HA 0.085 4.568 4.480 0.005 0.000 0.259 117 M C 1.056 177.414 176.300 0.097 0.000 1.079 117 M CA 1.981 57.263 55.300 -0.030 0.000 1.119 117 M CB -0.020 32.418 32.600 -0.270 0.000 1.297 117 M HN 0.718 nan 8.290 nan 0.000 0.416 118 G N -0.841 108.047 108.800 0.147 0.000 2.766 118 G HA2 0.578 4.541 3.960 0.005 0.000 0.288 118 G HA3 0.578 4.541 3.960 0.005 0.000 0.288 118 G C -2.222 172.735 174.900 0.096 0.000 1.408 118 G CA -0.709 44.535 45.100 0.241 0.000 0.852 118 G HN 0.133 nan 8.290 nan 0.000 0.487 119 L N 0.729 121.935 121.223 -0.029 0.000 2.265 119 L HA 0.622 4.965 4.340 0.005 0.000 0.289 119 L C 1.133 177.942 176.870 -0.101 0.000 1.033 119 L CA 1.410 56.042 54.840 -0.346 0.000 0.814 119 L CB 0.953 42.762 42.059 -0.416 0.000 1.203 119 L HN 1.559 nan 8.230 nan 0.000 0.423 120 G N 3.566 112.342 108.800 -0.040 0.000 2.254 120 G HA2 -0.239 3.724 3.960 0.005 0.000 0.225 120 G HA3 -0.239 3.724 3.960 0.005 0.000 0.225 120 G C 0.579 175.621 174.900 0.237 0.000 1.003 120 G CA -0.040 45.145 45.100 0.142 0.000 0.622 120 G HN 0.547 nan 8.290 nan 0.000 0.507 121 R N 1.224 121.862 120.500 0.229 0.000 2.438 121 R HA 0.546 4.889 4.340 0.005 0.000 0.287 121 R C 1.649 178.146 176.300 0.329 0.000 1.077 121 R CA 0.490 56.740 56.100 0.250 0.000 1.034 121 R CB 1.282 31.681 30.300 0.164 0.000 0.993 121 R HN 0.236 nan 8.270 nan 0.000 0.459 122 S N 2.975 118.874 115.700 0.331 0.000 2.414 122 S HA -0.284 4.189 4.470 0.005 0.000 0.225 122 S C 2.024 176.750 174.600 0.209 0.000 1.041 122 S CA 1.963 60.317 58.200 0.257 0.000 1.114 122 S CB -0.220 62.990 63.200 0.016 0.000 1.064 122 S HN 0.770 nan 8.310 nan 0.000 0.420 123 A N 0.010 123.014 122.820 0.306 0.000 2.093 123 A HA 0.059 4.382 4.320 0.005 0.000 0.222 123 A C 1.696 179.439 177.584 0.265 0.000 1.162 123 A CA 1.799 54.024 52.037 0.313 0.000 0.655 123 A CB -0.948 18.369 19.000 0.529 0.000 0.805 123 A HN 0.812 nan 8.150 nan 0.000 0.461 124 G N -4.654 104.351 108.800 0.342 0.000 4.637 124 G HA2 0.417 4.380 3.960 0.005 0.000 0.294 124 G HA3 0.417 4.380 3.960 0.005 0.000 0.294 124 G C 0.104 175.462 174.900 0.763 0.000 1.215 124 G CA 0.315 45.692 45.100 0.463 0.000 0.943 124 G HN 0.490 nan 8.290 nan 0.000 0.572 125 W N -0.798 120.653 121.300 0.250 0.000 1.271 125 W HA -0.123 4.540 4.660 0.005 0.000 0.139 125 W C 0.364 176.950 176.519 0.111 0.000 0.600 125 W CA 0.033 57.487 57.345 0.182 0.000 0.604 125 W CB -0.226 29.313 29.460 0.132 0.000 0.563 125 W HN 0.243 nan 8.180 nan 0.000 0.496 126 N N 1.404 120.307 118.700 0.337 0.000 2.250 126 N HA -0.023 4.720 4.740 0.005 0.000 0.181 126 N C 1.519 177.134 175.510 0.174 0.000 1.017 126 N CA 1.826 55.044 53.050 0.279 0.000 0.866 126 N CB -0.468 38.311 38.487 0.487 0.000 0.985 126 N HN 0.055 nan 8.380 nan 0.000 0.429 127 I N 1.231 121.861 120.570 0.101 0.000 2.130 127 I HA -0.088 4.085 4.170 0.005 0.000 0.234 127 I C -0.795 175.245 176.117 -0.129 0.000 1.067 127 I CA 1.278 62.553 61.300 -0.042 0.000 1.339 127 I CB -2.217 35.719 38.000 -0.107 0.000 1.073 127 I HN 0.028 nan 8.210 nan 0.000 0.405 128 P HA 0.016 nan 4.420 nan 0.000 0.233 128 P C 1.527 178.593 177.300 -0.390 0.000 1.167 128 P CA 0.686 63.540 63.100 -0.410 0.000 0.770 128 P CB 0.057 31.269 31.700 -0.814 0.000 0.837 129 V N -1.063 118.637 119.914 -0.357 0.000 3.647 129 V HA 0.192 4.315 4.120 0.005 0.000 0.279 129 V C 2.084 178.009 176.094 -0.282 0.000 1.314 129 V CA 1.440 63.480 62.300 -0.433 0.000 1.125 129 V CB -0.575 30.722 31.823 -0.876 0.000 0.907 129 V HN 0.160 nan 8.190 nan 0.000 0.434 130 G N -0.647 108.033 108.800 -0.199 0.000 2.921 130 G HA2 0.022 3.985 3.960 0.005 0.000 0.213 130 G HA3 0.022 3.985 3.960 0.005 0.000 0.213 130 G C 1.281 176.129 174.900 -0.086 0.000 1.143 130 G CA 0.084 45.121 45.100 -0.105 0.000 0.764 130 G HN 0.420 nan 8.290 nan 0.000 0.542 131 I N 0.191 120.685 120.570 -0.127 0.000 2.617 131 I HA 0.198 4.371 4.170 0.005 0.000 0.256 131 I C 2.209 178.281 176.117 -0.074 0.000 1.167 131 I CA 0.874 62.106 61.300 -0.113 0.000 1.469 131 I CB 0.279 38.172 38.000 -0.179 0.000 1.098 131 I HN 0.081 nan 8.210 nan 0.000 0.436 132 L N -1.260 119.911 121.223 -0.087 0.000 2.500 132 L HA 0.114 4.457 4.340 0.005 0.000 0.219 132 L C 2.317 179.231 176.870 0.073 0.000 1.057 132 L CA 0.121 54.951 54.840 -0.017 0.000 0.854 132 L CB -0.311 41.654 42.059 -0.156 0.000 1.078 132 L HN 0.059 nan 8.230 nan 0.000 0.480 133 R N 1.550 122.056 120.500 0.009 0.000 2.323 133 R HA -0.251 4.092 4.340 0.005 0.000 0.259 133 R C -0.797 175.578 176.300 0.125 0.000 1.104 133 R CA 2.591 58.734 56.100 0.072 0.000 0.961 133 R CB -1.872 28.451 30.300 0.037 0.000 0.929 133 R HN 0.195 nan 8.270 nan 0.000 0.457 134 P HA -0.157 nan 4.420 nan 0.000 0.215 134 P C -1.310 176.012 177.300 0.036 0.000 1.163 134 P CA 2.340 65.472 63.100 0.053 0.000 0.894 134 P CB -1.082 30.639 31.700 0.034 0.000 0.791 135 P HA 0.098 nan 4.420 nan 0.000 0.249 135 P C 1.738 178.852 177.300 -0.310 0.000 1.229 135 P CA 0.249 63.259 63.100 -0.150 0.000 0.788 135 P CB -0.315 31.252 31.700 -0.221 0.000 1.072 136 L N -0.146 121.097 121.223 0.033 0.000 2.081 136 L HA -0.175 4.168 4.340 0.005 0.000 0.212 136 L C 1.459 178.357 176.870 0.046 0.000 1.080 136 L CA 1.227 56.163 54.840 0.159 0.000 0.754 136 L CB -1.161 41.095 42.059 0.327 0.000 0.893 136 L HN -0.009 nan 8.230 nan 0.000 0.433 137 S N -1.292 114.423 115.700 0.024 0.000 3.309 137 S HA -0.227 4.246 4.470 0.005 0.000 0.373 137 S C 0.062 174.697 174.600 0.058 0.000 1.083 137 S CA 0.577 58.776 58.200 -0.002 0.000 1.059 137 S CB -1.105 62.058 63.200 -0.061 0.000 0.901 137 S HN 0.506 nan 8.310 nan 0.000 0.505 138 W N 2.739 124.025 121.300 -0.024 0.000 2.210 138 W HA 0.436 5.099 4.660 0.006 0.000 0.330 138 W C 0.158 176.678 176.519 0.001 0.000 1.334 138 W CA -0.078 57.266 57.345 -0.001 0.000 1.227 138 W CB 0.157 29.625 29.460 0.012 0.000 1.178 138 W HN 0.216 nan 8.180 nan 0.000 0.560 139 T N 3.879 118.280 114.554 -0.255 0.000 2.767 139 T HA 0.168 4.521 4.350 0.005 0.000 0.288 139 T C 0.531 174.839 174.700 -0.653 0.000 0.963 139 T CA -0.668 61.181 62.100 -0.418 0.000 1.019 139 T CB 1.954 70.743 68.868 -0.130 0.000 0.923 139 T HN 0.740 nan 8.240 nan 0.000 0.468 140 E N 1.933 121.689 120.200 -0.739 0.000 2.140 140 E HA -0.031 4.322 4.350 0.005 0.000 0.191 140 E C 0.761 177.293 176.600 -0.114 0.000 0.973 140 E CA 0.229 56.385 56.400 -0.407 0.000 0.829 140 E CB 0.173 29.635 29.700 -0.396 0.000 0.781 140 E HN 0.653 nan 8.360 nan 0.000 0.466 141 S N 0.539 116.151 115.700 -0.147 0.000 3.593 141 S HA 0.277 4.750 4.470 0.005 0.000 0.224 141 S C 0.333 174.918 174.600 -0.025 0.000 1.333 141 S CA 0.307 58.468 58.200 -0.064 0.000 1.164 141 S CB 0.176 63.331 63.200 -0.075 0.000 1.281 141 S HN 0.442 nan 8.310 nan 0.000 0.457 142 A N 1.153 123.985 122.820 0.020 0.000 3.507 142 A HA 0.126 4.449 4.320 0.005 0.000 0.159 142 A C 0.058 177.716 177.584 0.123 0.000 1.313 142 A CA -0.255 51.815 52.037 0.056 0.000 1.300 142 A CB 0.055 19.078 19.000 0.039 0.000 1.020 142 A HN 0.525 nan 8.150 nan 0.000 0.470 143 E N 1.476 121.789 120.200 0.188 0.000 2.259 143 E HA 0.766 5.119 4.350 0.005 0.000 0.257 143 E C -2.866 174.096 176.600 0.604 0.000 0.998 143 E CA -1.964 54.632 56.400 0.326 0.000 0.866 143 E CB 2.416 32.321 29.700 0.341 0.000 1.220 143 E HN 0.356 nan 8.360 nan 0.000 0.415 144 P HA 0.146 nan 4.420 nan 0.000 0.293 144 P C 0.232 177.197 177.300 -0.559 0.000 1.305 144 P CA -0.704 62.607 63.100 0.353 0.000 0.874 144 P CB 1.762 33.569 31.700 0.180 0.000 1.288 145 L N 1.149 121.642 121.223 -1.217 0.000 2.007 145 L HA -0.140 4.203 4.340 0.005 0.000 0.205 145 L C 2.347 178.825 176.870 -0.653 0.000 1.073 145 L CA 2.086 55.957 54.840 -1.614 0.000 0.744 145 L CB -1.539 39.715 42.059 -1.342 0.000 0.898 145 L HN 0.264 nan 8.230 nan 0.000 0.435 146 Q N -0.431 119.143 119.800 -0.375 0.000 2.515 146 Q HA -0.055 4.288 4.340 0.005 0.000 0.215 146 Q C 1.814 177.262 176.000 -0.919 0.000 0.983 146 Q CA 1.002 56.560 55.803 -0.408 0.000 0.905 146 Q CB -0.499 27.987 28.738 -0.420 0.000 0.961 146 Q HN 0.668 nan 8.270 nan 0.000 0.503 147 G N 0.473 108.933 108.800 -0.567 0.000 2.559 147 G HA2 0.148 4.111 3.960 0.005 0.000 0.209 147 G HA3 0.148 4.111 3.960 0.005 0.000 0.209 147 G C 0.981 175.830 174.900 -0.085 0.000 1.151 147 G CA 0.292 45.242 45.100 -0.250 0.000 0.824 147 G HN 0.362 nan 8.290 nan 0.000 0.543 148 A N 0.145 122.891 122.820 -0.124 0.000 2.610 148 A HA 0.621 4.944 4.320 0.005 0.000 0.286 148 A C 0.482 178.072 177.584 0.010 0.000 1.306 148 A CA -0.089 51.976 52.037 0.047 0.000 0.942 148 A CB 0.341 19.516 19.000 0.292 0.000 1.112 148 A HN 0.184 nan 8.150 nan 0.000 0.527 149 V N -0.803 119.055 119.914 -0.093 0.000 2.991 149 V HA 0.330 4.453 4.120 0.005 0.000 0.355 149 V C 1.247 177.336 176.094 -0.009 0.000 1.384 149 V CA 0.861 63.091 62.300 -0.118 0.000 1.171 149 V CB 0.311 32.051 31.823 -0.137 0.000 1.190 149 V HN 0.610 nan 8.190 nan 0.000 0.540 150 A N 0.020 122.854 122.820 0.023 0.000 2.066 150 A HA 0.221 4.544 4.320 0.005 0.000 0.198 150 A C 2.025 179.690 177.584 0.135 0.000 1.405 150 A CA 0.059 52.160 52.037 0.105 0.000 0.973 150 A CB 0.188 19.243 19.000 0.092 0.000 1.026 150 A HN 0.354 nan 8.150 nan 0.000 0.474 151 R N -1.247 119.318 120.500 0.107 0.000 2.115 151 R HA 0.097 4.441 4.340 0.005 0.000 0.226 151 R C 1.771 178.127 176.300 0.093 0.000 1.100 151 R CA 1.171 57.328 56.100 0.095 0.000 0.980 151 R CB -0.360 29.984 30.300 0.074 0.000 0.875 151 R HN 0.548 nan 8.270 nan 0.000 0.445 152 F N 0.955 120.835 119.950 -0.117 0.000 2.049 152 F HA -0.007 4.523 4.527 0.005 0.000 0.288 152 F C 0.405 176.120 175.800 -0.142 0.000 1.141 152 F CA 0.349 58.208 58.000 -0.236 0.000 1.165 152 F CB 0.129 38.806 39.000 -0.538 0.000 1.012 152 F HN -0.208 nan 8.300 nan 0.000 0.475 153 F N 1.654 121.787 119.950 0.304 0.000 2.466 153 F HA 0.113 4.643 4.527 0.005 0.000 0.363 153 F C 1.587 177.472 175.800 0.141 0.000 1.109 153 F CA -0.922 57.177 58.000 0.166 0.000 1.161 153 F CB 0.244 39.306 39.000 0.104 0.000 1.117 153 F HN -0.035 nan 8.300 nan 0.000 0.539 154 S N 1.998 117.892 115.700 0.323 0.000 2.507 154 S HA 0.309 4.783 4.470 0.005 0.000 0.235 154 S C 0.594 175.306 174.600 0.186 0.000 0.988 154 S CA 0.400 58.727 58.200 0.210 0.000 0.944 154 S CB -0.232 63.068 63.200 0.166 0.000 0.762 154 S HN 0.820 nan 8.310 nan 0.000 0.526 155 A N 0.343 123.285 122.820 0.203 0.000 2.508 155 A HA 0.599 4.922 4.320 0.005 0.000 0.297 155 A C -0.406 177.241 177.584 0.106 0.000 1.036 155 A CA -0.539 51.585 52.037 0.145 0.000 0.957 155 A CB 0.437 19.501 19.000 0.107 0.000 1.428 155 A HN 0.484 nan 8.150 nan 0.000 0.393 156 S N -0.208 115.567 115.700 0.124 0.000 2.685 156 S HA 0.759 5.232 4.470 0.005 0.000 0.282 156 S C -0.625 174.047 174.600 0.121 0.000 1.159 156 S CA -0.545 57.702 58.200 0.078 0.000 0.833 156 S CB 1.714 64.969 63.200 0.092 0.000 1.151 156 S HN 1.844 nan 8.310 nan 0.000 0.485 157 c N 2.389 121.072 118.600 0.139 0.000 3.445 157 c HA 0.611 5.185 4.570 0.005 0.000 0.213 157 c C -0.837 173.358 174.090 0.175 0.000 1.319 157 c CA -0.229 56.195 56.329 0.159 0.000 1.402 157 c CB -1.824 40.817 42.510 0.218 0.000 1.819 157 c HN 0.639 nan 8.230 nan 0.000 0.491 158 V N 5.939 125.914 119.914 0.102 0.000 2.406 158 V HA 0.411 4.534 4.120 0.005 0.000 0.272 158 V C -2.012 174.074 176.094 -0.013 0.000 1.043 158 V CA -1.208 61.097 62.300 0.008 0.000 0.915 158 V CB 1.166 32.779 31.823 -0.351 0.000 0.988 158 V HN 0.566 nan 8.190 nan 0.000 0.466 159 P HA 0.449 nan 4.420 nan 0.000 0.278 159 P C 0.463 177.705 177.300 -0.098 0.000 1.266 159 P CA -0.203 62.892 63.100 -0.007 0.000 0.807 159 P CB 0.649 32.383 31.700 0.057 0.000 1.094 160 c N -2.524 115.982 118.600 -0.158 0.000 5.812 160 c HA -0.145 4.428 4.570 0.005 0.000 0.308 160 c C 1.115 175.142 174.090 -0.106 0.000 2.271 160 c CA 0.234 56.477 56.329 -0.142 0.000 2.025 160 c CB -2.812 39.627 42.510 -0.119 0.000 3.036 160 c HN 0.411 nan 8.230 nan 0.000 0.372 161 V N 1.778 121.626 119.914 -0.109 0.000 3.237 161 V HA 0.302 4.425 4.120 0.005 0.000 0.305 161 V C 0.545 176.644 176.094 0.009 0.000 1.096 161 V CA 0.695 62.969 62.300 -0.043 0.000 1.130 161 V CB 0.520 32.331 31.823 -0.019 0.000 1.048 161 V HN 0.454 nan 8.190 nan 0.000 0.484 162 D N 1.700 122.132 120.400 0.054 0.000 2.371 162 D HA 0.206 4.849 4.640 0.005 0.000 0.256 162 D C 1.252 177.548 176.300 -0.006 0.000 1.193 162 D CA 0.675 54.672 54.000 -0.005 0.000 0.881 162 D CB 1.355 42.124 40.800 -0.051 0.000 1.143 162 D HN 0.624 nan 8.370 nan 0.000 0.473 163 G N 3.830 112.619 108.800 -0.018 0.000 2.479 163 G HA2 -0.269 3.694 3.960 0.005 0.000 0.220 163 G HA3 -0.269 3.694 3.960 0.005 0.000 0.220 163 G C 1.348 176.232 174.900 -0.027 0.000 1.115 163 G CA 0.568 45.661 45.100 -0.011 0.000 0.757 163 G HN 0.503 nan 8.290 nan 0.000 0.560 164 K N -0.009 120.356 120.400 -0.058 0.000 2.137 164 K HA 0.234 4.557 4.320 0.005 0.000 0.202 164 K C 2.653 179.170 176.600 -0.139 0.000 1.052 164 K CA 0.859 57.098 56.287 -0.080 0.000 0.961 164 K CB 0.065 32.520 32.500 -0.075 0.000 0.741 164 K HN 0.264 nan 8.250 nan 0.000 0.452 165 A N -0.198 122.472 122.820 -0.251 0.000 2.140 165 A HA 0.074 4.397 4.320 0.005 0.000 0.209 165 A C 0.104 177.213 177.584 -0.792 0.000 1.181 165 A CA 0.336 52.078 52.037 -0.493 0.000 0.824 165 A CB 0.266 18.903 19.000 -0.606 0.000 0.879 165 A HN 0.173 nan 8.150 nan 0.000 0.480 166 Y N 0.395 120.699 120.300 0.007 0.000 2.553 166 Y HA 0.265 4.818 4.550 0.005 0.000 0.369 166 Y C -1.837 174.077 175.900 0.022 0.000 0.964 166 Y CA -3.181 54.929 58.100 0.016 0.000 1.156 166 Y CB 0.355 38.818 38.460 0.004 0.000 1.218 166 Y HN 0.226 nan 8.280 nan 0.000 0.630 167 P HA -0.233 nan 4.420 nan 0.000 0.213 167 P C 1.590 178.961 177.300 0.118 0.000 1.170 167 P CA 1.566 64.721 63.100 0.091 0.000 0.898 167 P CB 0.579 32.316 31.700 0.061 0.000 0.787 168 N N 0.589 119.376 118.700 0.145 0.000 2.091 168 N HA -0.148 4.595 4.740 0.005 0.000 0.193 168 N C 1.243 176.849 175.510 0.159 0.000 1.021 168 N CA 1.023 54.162 53.050 0.149 0.000 0.862 168 N CB -0.899 37.691 38.487 0.171 0.000 1.018 168 N HN 0.158 nan 8.380 nan 0.000 0.429 169 L N 0.223 121.556 121.223 0.184 0.000 2.939 169 L HA 0.135 4.478 4.340 0.005 0.000 0.239 169 L C -0.344 176.596 176.870 0.117 0.000 1.325 169 L CA -0.186 54.747 54.840 0.156 0.000 1.170 169 L CB -0.287 41.852 42.059 0.134 0.000 1.538 169 L HN 0.217 nan 8.230 nan 0.000 0.452 170 c N -0.567 118.093 118.600 0.100 0.000 2.206 170 c HA 0.030 4.603 4.570 0.005 0.000 0.307 170 c C 1.108 175.234 174.090 0.060 0.000 0.824 170 c CA -0.533 55.836 56.329 0.067 0.000 0.602 170 c CB -0.343 42.195 42.510 0.046 0.000 1.478 170 c HN 0.571 nan 8.230 nan 0.000 0.775 171 Q N -0.253 119.592 119.800 0.075 0.000 2.532 171 Q HA 0.322 4.665 4.340 0.005 0.000 0.247 171 Q C 0.945 176.984 176.000 0.065 0.000 0.872 171 Q CA 0.480 56.322 55.803 0.066 0.000 0.963 171 Q CB 0.467 29.253 28.738 0.080 0.000 1.159 171 Q HN 0.649 nan 8.270 nan 0.000 0.598 172 L N 1.365 122.647 121.223 0.099 0.000 2.968 172 L HA 0.222 4.565 4.340 0.005 0.000 0.235 172 L C -0.533 176.433 176.870 0.161 0.000 1.323 172 L CA -0.339 54.587 54.840 0.143 0.000 1.159 172 L CB 0.255 42.422 42.059 0.180 0.000 1.523 172 L HN 0.087 nan 8.230 nan 0.000 0.468 173 c N 0.052 118.661 118.600 0.015 0.000 2.298 173 c HA 0.231 4.804 4.570 0.005 0.000 0.323 173 c C 1.310 175.249 174.090 -0.251 0.000 1.284 173 c CA -0.914 55.359 56.329 -0.093 0.000 1.577 173 c CB 1.002 43.505 42.510 -0.011 0.000 2.249 173 c HN 0.474 nan 8.230 nan 0.000 0.497 174 K N 1.597 121.695 120.400 -0.504 0.000 2.577 174 K HA 0.217 4.541 4.320 0.005 0.000 0.210 174 K C 0.989 177.455 176.600 -0.223 0.000 1.048 174 K CA -0.129 55.907 56.287 -0.419 0.000 1.188 174 K CB 0.460 32.558 32.500 -0.669 0.000 0.910 174 K HN 0.907 nan 8.250 nan 0.000 0.483 175 G N 0.142 108.856 108.800 -0.144 0.000 2.562 175 G HA2 0.189 4.152 3.960 0.005 0.000 0.275 175 G HA3 0.189 4.152 3.960 0.005 0.000 0.275 175 G C -0.168 174.689 174.900 -0.071 0.000 1.196 175 G CA -0.594 44.455 45.100 -0.085 0.000 0.908 175 G HN 0.027 nan 8.290 nan 0.000 0.524 176 V N 2.314 122.196 119.914 -0.054 0.000 2.377 176 V HA 0.350 4.473 4.120 0.005 0.000 0.254 176 V C 1.689 177.756 176.094 -0.044 0.000 1.060 176 V CA 1.171 63.444 62.300 -0.046 0.000 1.068 176 V CB -0.556 31.244 31.823 -0.037 0.000 1.113 176 V HN 1.490 nan 8.190 nan 0.000 0.484 177 G N 4.809 113.583 108.800 -0.043 0.000 4.011 177 G HA2 -0.384 3.579 3.960 0.005 0.000 0.348 177 G HA3 -0.384 3.579 3.960 0.005 0.000 0.348 177 G C 0.988 175.864 174.900 -0.040 0.000 1.310 177 G CA 0.860 45.937 45.100 -0.038 0.000 1.056 177 G HN 0.569 nan 8.290 nan 0.000 0.728 178 E N 1.094 121.270 120.200 -0.040 0.000 2.385 178 E HA 0.025 4.378 4.350 0.005 0.000 0.194 178 E C 1.756 178.326 176.600 -0.051 0.000 1.013 178 E CA 0.351 56.725 56.400 -0.043 0.000 0.866 178 E CB -0.035 29.641 29.700 -0.041 0.000 0.832 178 E HN 0.462 nan 8.360 nan 0.000 0.500 179 N N 1.449 120.117 118.700 -0.053 0.000 2.461 179 N HA -0.057 4.686 4.740 0.005 0.000 0.188 179 N C 0.267 175.737 175.510 -0.066 0.000 1.134 179 N CA 0.373 53.386 53.050 -0.062 0.000 0.878 179 N CB 0.072 38.527 38.487 -0.054 0.000 0.972 179 N HN 0.035 nan 8.380 nan 0.000 0.456 180 K N 0.799 121.163 120.400 -0.059 0.000 2.363 180 K HA 0.061 4.384 4.320 0.005 0.000 0.289 180 K C 0.260 176.829 176.600 -0.052 0.000 1.063 180 K CA 0.057 56.310 56.287 -0.057 0.000 0.967 180 K CB 0.031 32.501 32.500 -0.050 0.000 0.987 180 K HN 0.221 nan 8.250 nan 0.000 0.473 181 c N 2.680 121.249 118.600 -0.051 0.000 4.465 181 c HA -0.198 4.375 4.570 0.005 0.000 0.274 181 c C 0.565 174.601 174.090 -0.090 0.000 1.337 181 c CA 0.290 56.595 56.329 -0.040 0.000 1.822 181 c CB -2.277 40.224 42.510 -0.014 0.000 1.357 181 c HN 0.938 nan 8.230 nan 0.000 0.753 182 A N -0.412 122.332 122.820 -0.126 0.000 2.346 182 A HA 0.478 4.801 4.320 0.005 0.000 0.252 182 A C 0.960 178.342 177.584 -0.337 0.000 1.089 182 A CA 0.643 52.573 52.037 -0.178 0.000 0.797 182 A CB 0.105 19.020 19.000 -0.141 0.000 1.047 182 A HN 1.463 nan 8.150 nan 0.000 0.494 183 c N 1.948 120.350 118.600 -0.330 0.000 3.630 183 c HA 0.476 5.049 4.570 0.005 0.000 0.553 183 c C 0.775 174.490 174.090 -0.625 0.000 1.195 183 c CA 0.609 56.648 56.329 -0.483 0.000 1.276 183 c CB -3.104 39.264 42.510 -0.238 0.000 1.521 183 c HN 0.703 nan 8.230 nan 0.000 0.641 184 S N -1.135 114.054 115.700 -0.850 0.000 2.636 184 S HA 0.172 4.646 4.470 0.005 0.000 0.266 184 S C 0.542 175.000 174.600 -0.236 0.000 1.147 184 S CA -0.324 57.590 58.200 -0.476 0.000 0.815 184 S CB 1.197 64.310 63.200 -0.145 0.000 1.119 184 S HN 0.496 nan 8.310 nan 0.000 0.470 185 S N 0.542 116.366 115.700 0.206 0.000 2.641 185 S HA -0.093 4.380 4.470 0.005 0.000 0.239 185 S C 1.038 175.711 174.600 0.122 0.000 0.972 185 S CA 0.644 59.020 58.200 0.294 0.000 0.954 185 S CB -0.413 62.934 63.200 0.247 0.000 0.767 185 S HN 0.604 nan 8.310 nan 0.000 0.539 186 Q N 0.670 120.484 119.800 0.023 0.000 2.472 186 Q HA 0.111 4.455 4.340 0.005 0.000 0.208 186 Q C 0.399 176.390 176.000 -0.015 0.000 0.958 186 Q CA 0.569 56.367 55.803 -0.008 0.000 0.932 186 Q CB 0.095 28.806 28.738 -0.045 0.000 1.007 186 Q HN 0.363 nan 8.270 nan 0.000 0.508 187 E N 0.499 120.701 120.200 0.002 0.000 2.073 187 E HA 0.148 4.501 4.350 0.005 0.000 0.269 187 E C -2.175 174.497 176.600 0.120 0.000 0.917 187 E CA -2.841 53.571 56.400 0.021 0.000 0.757 187 E CB 1.204 30.910 29.700 0.010 0.000 1.111 187 E HN -0.170 nan 8.360 nan 0.000 0.410 188 P HA -0.140 nan 4.420 nan 0.000 0.218 188 P C -0.414 177.092 177.300 0.342 0.000 1.146 188 P CA 1.140 64.320 63.100 0.134 0.000 0.813 188 P CB 0.103 31.812 31.700 0.015 0.000 0.778 189 Y N -0.702 119.653 120.300 0.091 0.000 2.958 189 Y HA 0.434 4.987 4.550 0.005 0.000 0.336 189 Y C -0.194 175.817 175.900 0.185 0.000 1.160 189 Y CA -1.853 56.307 58.100 0.099 0.000 1.292 189 Y CB -0.706 37.796 38.460 0.070 0.000 1.306 189 Y HN -0.137 nan 8.280 nan 0.000 0.547 190 F N 1.072 121.105 119.950 0.138 0.000 3.228 190 F HA 0.676 5.206 4.527 0.005 0.000 0.385 190 F C -0.167 175.641 175.800 0.012 0.000 1.247 190 F CA -0.339 57.700 58.000 0.065 0.000 1.211 190 F CB 0.760 39.789 39.000 0.048 0.000 1.719 190 F HN 0.437 nan 8.300 nan 0.000 0.630 191 G N 3.621 112.196 108.800 -0.374 0.000 2.354 191 G HA2 -0.141 3.822 3.960 0.005 0.000 0.582 191 G HA3 -0.141 3.822 3.960 0.005 0.000 0.582 191 G C -0.529 174.179 174.900 -0.320 0.000 1.316 191 G CA -0.332 44.424 45.100 -0.574 0.000 0.995 191 G HN 0.395 nan 8.290 nan 0.000 0.573 192 Y N -0.108 120.123 120.300 -0.114 0.000 2.497 192 Y HA 0.286 4.839 4.550 0.005 0.000 0.292 192 Y C 2.688 178.574 175.900 -0.024 0.000 1.137 192 Y CA 1.316 59.354 58.100 -0.103 0.000 1.285 192 Y CB 0.108 38.446 38.460 -0.203 0.000 0.991 192 Y HN 0.323 nan 8.280 nan 0.000 0.556 193 S N -0.813 114.936 115.700 0.082 0.000 2.588 193 S HA 0.414 4.887 4.470 0.005 0.000 0.245 193 S C 1.359 176.010 174.600 0.085 0.000 1.021 193 S CA 0.360 58.626 58.200 0.111 0.000 1.006 193 S CB -0.163 63.084 63.200 0.078 0.000 0.830 193 S HN 0.593 nan 8.310 nan 0.000 0.468 194 G N -0.220 108.619 108.800 0.064 0.000 2.310 194 G HA2 0.345 4.308 3.960 0.005 0.000 0.185 194 G HA3 0.345 4.308 3.960 0.005 0.000 0.185 194 G C 0.968 175.858 174.900 -0.017 0.000 1.460 194 G CA 0.492 45.656 45.100 0.107 0.000 0.660 194 G HN 0.379 nan 8.290 nan 0.000 1.081 195 A N 0.191 123.003 122.820 -0.014 0.000 2.095 195 A HA 0.444 4.767 4.320 0.005 0.000 0.212 195 A C 1.847 179.419 177.584 -0.021 0.000 1.162 195 A CA 0.865 52.869 52.037 -0.055 0.000 0.753 195 A CB -0.249 18.749 19.000 -0.003 0.000 0.840 195 A HN 0.337 nan 8.150 nan 0.000 0.468 196 F N 1.263 121.133 119.950 -0.134 0.000 2.098 196 F HA 0.043 4.573 4.527 0.005 0.000 0.294 196 F C 1.832 177.535 175.800 -0.161 0.000 1.107 196 F CA 1.762 59.683 58.000 -0.132 0.000 1.234 196 F CB -0.603 38.329 39.000 -0.114 0.000 1.002 196 F HN 0.152 nan 8.300 nan 0.000 0.472 197 K N -0.095 120.178 120.400 -0.211 0.000 2.281 197 K HA -0.184 4.139 4.320 0.005 0.000 0.203 197 K C 2.318 178.610 176.600 -0.514 0.000 1.046 197 K CA 1.199 57.270 56.287 -0.360 0.000 0.938 197 K CB -0.892 31.515 32.500 -0.156 0.000 0.737 197 K HN 0.429 nan 8.250 nan 0.000 0.458 198 c N -0.148 118.047 118.600 -0.675 0.000 2.437 198 c HA 0.067 4.641 4.570 0.005 0.000 0.283 198 c C 2.002 175.867 174.090 -0.376 0.000 1.424 198 c CA 0.607 56.370 56.329 -0.943 0.000 1.782 198 c CB -0.769 41.341 42.510 -0.667 0.000 1.833 198 c HN 0.631 nan 8.230 nan 0.000 0.532 199 L N -0.226 120.878 121.223 -0.199 0.000 2.577 199 L HA 0.236 4.579 4.340 0.005 0.000 0.225 199 L C 2.255 179.136 176.870 0.019 0.000 1.053 199 L CA 1.253 56.072 54.840 -0.035 0.000 0.866 199 L CB -1.105 41.009 42.059 0.091 0.000 1.132 199 L HN 0.293 nan 8.230 nan 0.000 0.486 200 Q N -0.298 119.475 119.800 -0.045 0.000 2.376 200 Q HA -0.216 4.127 4.340 0.005 0.000 0.211 200 Q C 0.514 176.497 176.000 -0.029 0.000 0.986 200 Q CA 1.942 57.733 55.803 -0.021 0.000 0.886 200 Q CB 0.148 28.669 28.738 -0.361 0.000 0.927 200 Q HN 0.587 nan 8.270 nan 0.000 0.457 201 D N -2.373 118.001 120.400 -0.043 0.000 2.379 201 D HA 0.138 4.782 4.640 0.005 0.000 0.218 201 D C 1.147 177.447 176.300 -0.001 0.000 1.006 201 D CA 1.096 55.091 54.000 -0.009 0.000 0.893 201 D CB 0.842 41.659 40.800 0.028 0.000 1.019 201 D HN 0.392 nan 8.370 nan 0.000 0.503 202 G N 0.665 109.461 108.800 -0.007 0.000 2.253 202 G HA2 -0.263 3.700 3.960 0.005 0.000 0.209 202 G HA3 -0.263 3.700 3.960 0.005 0.000 0.209 202 G C 1.311 176.221 174.900 0.017 0.000 0.997 202 G CA 0.681 45.779 45.100 -0.004 0.000 0.640 202 G HN 0.501 nan 8.290 nan 0.000 0.496 203 A N 0.730 123.577 122.820 0.044 0.000 1.849 203 A HA 0.386 4.709 4.320 0.005 0.000 0.216 203 A C 1.979 179.594 177.584 0.052 0.000 1.225 203 A CA 2.579 54.666 52.037 0.083 0.000 0.653 203 A CB -1.117 18.000 19.000 0.196 0.000 0.844 203 A HN 1.989 nan 8.150 nan 0.000 0.453 204 G N -1.187 107.621 108.800 0.014 0.000 2.353 204 G HA2 0.430 4.393 3.960 0.005 0.000 0.284 204 G HA3 0.430 4.393 3.960 0.005 0.000 0.284 204 G C -0.399 174.464 174.900 -0.062 0.000 1.172 204 G CA 0.244 45.319 45.100 -0.041 0.000 0.854 204 G HN 0.425 nan 8.290 nan 0.000 0.485 205 D N 0.337 120.703 120.400 -0.056 0.000 2.049 205 D HA -0.004 4.639 4.640 0.005 0.000 0.240 205 D C 1.508 177.802 176.300 -0.010 0.000 0.979 205 D CA 0.871 54.879 54.000 0.014 0.000 0.915 205 D CB -0.429 40.450 40.800 0.131 0.000 1.050 205 D HN 0.386 nan 8.370 nan 0.000 0.444 206 V N -0.351 119.496 119.914 -0.112 0.000 2.763 206 V HA 0.480 4.603 4.120 0.005 0.000 0.306 206 V C 0.048 175.874 176.094 -0.445 0.000 1.059 206 V CA -0.857 61.294 62.300 -0.248 0.000 1.138 206 V CB 0.461 31.866 31.823 -0.697 0.000 0.940 206 V HN 0.326 nan 8.190 nan 0.000 0.489 207 A N 4.309 126.962 122.820 -0.279 0.000 2.319 207 A HA 0.794 5.117 4.320 0.005 0.000 0.310 207 A C -0.928 176.577 177.584 -0.132 0.000 1.152 207 A CA -0.426 51.474 52.037 -0.229 0.000 0.783 207 A CB 0.544 19.542 19.000 -0.005 0.000 1.184 207 A HN 0.623 nan 8.150 nan 0.000 0.474 208 F N 3.224 123.104 119.950 -0.116 0.000 2.334 208 F HA 0.475 5.005 4.527 0.005 0.000 0.365 208 F C 0.515 176.325 175.800 0.018 0.000 1.124 208 F CA -0.834 57.119 58.000 -0.079 0.000 1.166 208 F CB 0.971 39.870 39.000 -0.170 0.000 1.355 208 F HN 0.470 nan 8.300 nan 0.000 0.532 209 V N 0.459 120.504 119.914 0.219 0.000 3.160 209 V HA 0.630 4.753 4.120 0.005 0.000 0.310 209 V C 0.134 176.230 176.094 0.002 0.000 1.181 209 V CA -1.540 60.893 62.300 0.222 0.000 1.047 209 V CB 1.742 33.653 31.823 0.147 0.000 1.068 209 V HN 0.524 nan 8.190 nan 0.000 0.441 210 K N 1.166 121.377 120.400 -0.314 0.000 2.990 210 K HA 0.108 4.431 4.320 0.005 0.000 0.348 210 K C 1.040 177.416 176.600 -0.374 0.000 1.055 210 K CA 0.732 56.758 56.287 -0.434 0.000 1.075 210 K CB -0.191 31.776 32.500 -0.889 0.000 0.940 210 K HN 0.855 nan 8.250 nan 0.000 0.452 211 E N 0.059 119.947 120.200 -0.520 0.000 2.290 211 E HA -0.060 4.293 4.350 0.005 0.000 0.197 211 E C 0.431 176.478 176.600 -0.923 0.000 0.948 211 E CA 0.773 56.831 56.400 -0.569 0.000 0.895 211 E CB 0.181 29.432 29.700 -0.749 0.000 0.865 211 E HN 0.586 nan 8.360 nan 0.000 0.486 212 T N 0.082 113.977 114.554 -1.098 0.000 3.155 212 T HA 0.444 4.797 4.350 0.005 0.000 0.384 212 T C -0.269 173.907 174.700 -0.873 0.000 1.351 212 T CA -0.298 60.985 62.100 -1.362 0.000 1.198 212 T CB 0.743 68.722 68.868 -1.482 0.000 1.106 212 T HN 0.011 nan 8.240 nan 0.000 0.564 213 T N 1.490 115.599 114.554 -0.742 0.000 3.073 213 T HA 0.108 4.461 4.350 0.005 0.000 0.264 213 T C 1.833 176.100 174.700 -0.721 0.000 0.893 213 T CA 0.472 62.232 62.100 -0.566 0.000 0.863 213 T CB 0.076 68.654 68.868 -0.483 0.000 1.247 213 T HN 0.413 nan 8.240 nan 0.000 0.546 214 V N 1.255 120.640 119.914 -0.882 0.000 2.229 214 V HA -0.064 4.059 4.120 0.005 0.000 0.243 214 V C 2.118 178.114 176.094 -0.163 0.000 1.042 214 V CA 1.429 63.127 62.300 -1.003 0.000 1.000 214 V CB -1.213 30.327 31.823 -0.471 0.000 0.637 214 V HN 0.223 nan 8.190 nan 0.000 0.446 215 F N 1.381 121.149 119.950 -0.302 0.000 2.053 215 F HA -0.283 4.247 4.527 0.005 0.000 0.295 215 F C 2.606 178.339 175.800 -0.112 0.000 1.102 215 F CA 1.946 59.840 58.000 -0.177 0.000 1.225 215 F CB -1.399 37.477 39.000 -0.206 0.000 0.961 215 F HN 0.268 nan 8.300 nan 0.000 0.495 216 E N -0.537 119.703 120.200 0.067 0.000 2.110 216 E HA -0.193 4.160 4.350 0.005 0.000 0.193 216 E C 1.816 178.465 176.600 0.082 0.000 0.988 216 E CA 1.421 57.841 56.400 0.033 0.000 0.804 216 E CB -0.358 29.323 29.700 -0.033 0.000 0.745 216 E HN 0.612 nan 8.360 nan 0.000 0.458 217 N N -0.174 118.637 118.700 0.185 0.000 2.402 217 N HA 0.070 4.813 4.740 0.005 0.000 0.174 217 N C 0.271 175.880 175.510 0.165 0.000 1.027 217 N CA 0.076 53.254 53.050 0.213 0.000 0.891 217 N CB 0.532 39.236 38.487 0.363 0.000 1.016 217 N HN 0.006 nan 8.380 nan 0.000 0.439 218 L N 2.244 123.601 121.223 0.223 0.000 2.589 218 L HA 0.271 4.614 4.340 0.005 0.000 0.244 218 L C -1.819 175.088 176.870 0.063 0.000 1.159 218 L CA -1.479 53.443 54.840 0.136 0.000 1.074 218 L CB 1.102 43.275 42.059 0.191 0.000 1.391 218 L HN -0.120 nan 8.230 nan 0.000 0.423 219 P HA -0.192 nan 4.420 nan 0.000 0.213 219 P C 0.259 177.543 177.300 -0.028 0.000 1.170 219 P CA 1.045 64.142 63.100 -0.005 0.000 0.902 219 P CB 0.254 31.951 31.700 -0.004 0.000 0.789 220 E N -0.600 119.594 120.200 -0.011 0.000 2.480 220 E HA -0.085 4.269 4.350 0.005 0.000 0.258 220 E C 1.150 177.736 176.600 -0.024 0.000 0.984 220 E CA 0.313 56.703 56.400 -0.017 0.000 0.930 220 E CB 0.324 30.022 29.700 -0.002 0.000 0.936 220 E HN -0.136 nan 8.360 nan 0.000 0.466 221 K N 3.555 123.927 120.400 -0.046 0.000 2.211 221 K HA -0.005 4.318 4.320 0.005 0.000 0.203 221 K C 0.823 177.411 176.600 -0.021 0.000 1.050 221 K CA 1.379 57.631 56.287 -0.058 0.000 0.945 221 K CB 0.085 32.541 32.500 -0.074 0.000 0.732 221 K HN 0.378 nan 8.250 nan 0.000 0.451 222 A N 0.321 123.135 122.820 -0.010 0.000 2.648 222 A HA 0.200 4.523 4.320 0.005 0.000 0.269 222 A C 0.019 177.617 177.584 0.025 0.000 1.392 222 A CA 0.217 52.257 52.037 0.004 0.000 1.019 222 A CB -0.261 18.738 19.000 -0.002 0.000 1.009 222 A HN 0.343 nan 8.150 nan 0.000 0.565 223 D N -1.380 119.046 120.400 0.042 0.000 2.292 223 D HA 0.090 4.733 4.640 0.005 0.000 0.322 223 D C 1.567 177.958 176.300 0.151 0.000 1.087 223 D CA 0.189 54.242 54.000 0.088 0.000 0.857 223 D CB 0.219 41.061 40.800 0.069 0.000 1.445 223 D HN 0.385 nan 8.370 nan 0.000 0.528 224 R N 0.683 121.243 120.500 0.101 0.000 2.310 224 R HA 0.148 4.491 4.340 0.005 0.000 0.202 224 R C 0.821 177.220 176.300 0.165 0.000 0.933 224 R CA 0.358 56.530 56.100 0.119 0.000 1.054 224 R CB 0.495 30.805 30.300 0.017 0.000 0.985 224 R HN 0.133 nan 8.270 nan 0.000 0.489 225 D N 1.675 122.160 120.400 0.142 0.000 2.084 225 D HA -0.113 4.530 4.640 0.005 0.000 0.199 225 D C 1.255 177.622 176.300 0.111 0.000 0.981 225 D CA 1.038 55.097 54.000 0.099 0.000 0.841 225 D CB 0.126 40.957 40.800 0.052 0.000 0.997 225 D HN 0.172 nan 8.370 nan 0.000 0.454 226 Q N 0.298 120.159 119.800 0.103 0.000 2.594 226 Q HA -0.137 4.206 4.340 0.005 0.000 0.215 226 Q C -0.396 175.400 176.000 -0.340 0.000 0.962 226 Q CA 0.618 56.361 55.803 -0.099 0.000 1.003 226 Q CB -1.041 27.585 28.738 -0.187 0.000 1.000 226 Q HN 0.524 nan 8.270 nan 0.000 0.571 227 Y N 0.166 120.491 120.300 0.041 0.000 2.544 227 Y HA 0.272 4.825 4.550 0.005 0.000 0.347 227 Y C -0.237 175.690 175.900 0.045 0.000 1.089 227 Y CA -0.711 57.421 58.100 0.054 0.000 1.230 227 Y CB 0.823 39.344 38.460 0.102 0.000 1.101 227 Y HN 0.022 nan 8.280 nan 0.000 0.641 228 E N 2.825 123.083 120.200 0.097 0.000 2.324 228 E HA 0.242 4.595 4.350 0.005 0.000 0.271 228 E C 0.007 176.674 176.600 0.112 0.000 1.028 228 E CA -0.160 56.287 56.400 0.078 0.000 0.890 228 E CB 1.190 30.906 29.700 0.026 0.000 1.004 228 E HN 0.541 nan 8.360 nan 0.000 0.431 229 L N 2.876 124.171 121.223 0.121 0.000 2.603 229 L HA 0.294 4.637 4.340 0.005 0.000 0.173 229 L C 0.232 177.193 176.870 0.151 0.000 1.087 229 L CA -0.311 54.615 54.840 0.143 0.000 1.011 229 L CB 0.078 42.211 42.059 0.123 0.000 1.695 229 L HN 0.375 nan 8.230 nan 0.000 0.494 230 L N -0.543 120.781 121.223 0.168 0.000 2.476 230 L HA 0.392 4.735 4.340 0.005 0.000 0.269 230 L C -1.044 175.912 176.870 0.143 0.000 0.965 230 L CA -0.517 54.431 54.840 0.180 0.000 0.845 230 L CB 1.732 43.937 42.059 0.243 0.000 1.259 230 L HN 0.596 nan 8.230 nan 0.000 0.403 231 c N 1.361 120.031 118.600 0.118 0.000 2.548 231 c HA 0.430 5.003 4.570 0.005 0.000 0.412 231 c C 2.018 176.164 174.090 0.094 0.000 1.588 231 c CA -0.530 55.863 56.329 0.107 0.000 1.861 231 c CB 1.426 43.987 42.510 0.086 0.000 1.983 231 c HN 0.840 nan 8.230 nan 0.000 0.497 232 L N 1.818 123.099 121.223 0.097 0.000 2.027 232 L HA -0.086 4.257 4.340 0.005 0.000 0.206 232 L C 1.713 178.620 176.870 0.061 0.000 1.074 232 L CA 1.331 56.212 54.840 0.068 0.000 0.745 232 L CB -0.522 41.583 42.059 0.076 0.000 0.898 232 L HN 0.767 nan 8.230 nan 0.000 0.433 233 N N 0.673 119.411 118.700 0.064 0.000 2.581 233 N HA -0.125 4.618 4.740 0.005 0.000 0.230 233 N C -0.312 175.233 175.510 0.058 0.000 1.310 233 N CA 0.290 53.372 53.050 0.053 0.000 0.886 233 N CB -1.096 37.417 38.487 0.044 0.000 1.205 233 N HN 0.373 nan 8.380 nan 0.000 0.488 234 N N -1.381 117.361 118.700 0.070 0.000 2.714 234 N HA -0.202 4.541 4.740 0.005 0.000 0.250 234 N C -0.534 175.031 175.510 0.092 0.000 1.117 234 N CA 1.152 54.253 53.050 0.086 0.000 0.719 234 N CB -0.994 37.539 38.487 0.077 0.000 1.081 234 N HN 0.711 nan 8.380 nan 0.000 0.557 235 T N -1.983 112.623 114.554 0.087 0.000 2.678 235 T HA 0.720 5.073 4.350 0.005 0.000 0.260 235 T C -0.270 174.485 174.700 0.091 0.000 0.932 235 T CA -1.022 61.126 62.100 0.080 0.000 1.043 235 T CB 1.732 70.633 68.868 0.054 0.000 1.413 235 T HN 0.262 nan 8.240 nan 0.000 0.568 236 R N -0.327 120.215 120.500 0.069 0.000 2.604 236 R HA 0.837 5.180 4.340 0.005 0.000 0.281 236 R C -1.438 174.892 176.300 0.050 0.000 1.020 236 R CA -1.188 54.954 56.100 0.071 0.000 0.899 236 R CB 1.953 32.289 30.300 0.059 0.000 1.205 236 R HN 0.929 nan 8.270 nan 0.000 0.450 237 A N 2.740 125.594 122.820 0.056 0.000 2.594 237 A HA 0.779 5.102 4.320 0.005 0.000 0.291 237 A C -2.817 174.801 177.584 0.057 0.000 1.105 237 A CA -1.876 50.184 52.037 0.038 0.000 0.694 237 A CB 1.871 20.879 19.000 0.014 0.000 1.291 237 A HN 0.597 nan 8.150 nan 0.000 0.410 238 P HA 0.141 nan 4.420 nan 0.000 0.272 238 P C 1.204 178.565 177.300 0.102 0.000 1.230 238 P CA 0.397 63.540 63.100 0.072 0.000 0.788 238 P CB 0.680 32.407 31.700 0.044 0.000 0.949 239 V N -1.670 118.330 119.914 0.144 0.000 3.284 239 V HA -0.173 3.950 4.120 0.005 0.000 0.273 239 V C 0.605 176.922 176.094 0.371 0.000 1.178 239 V CA 1.852 64.277 62.300 0.208 0.000 1.177 239 V CB -1.645 30.306 31.823 0.213 0.000 0.793 239 V HN 0.325 nan 8.190 nan 0.000 0.536 240 D N 0.774 121.323 120.400 0.248 0.000 2.369 240 D HA 0.441 5.084 4.640 0.005 0.000 0.211 240 D C 1.661 177.965 176.300 0.006 0.000 1.077 240 D CA 0.840 54.997 54.000 0.263 0.000 0.842 240 D CB 0.275 41.136 40.800 0.102 0.000 0.947 240 D HN 0.588 nan 8.370 nan 0.000 0.509 241 A N 0.436 123.234 122.820 -0.036 0.000 2.379 241 A HA 0.160 4.484 4.320 0.005 0.000 0.236 241 A C 1.300 178.746 177.584 -0.230 0.000 1.272 241 A CA -0.439 51.485 52.037 -0.189 0.000 0.886 241 A CB -1.075 17.874 19.000 -0.084 0.000 0.962 241 A HN 0.315 nan 8.150 nan 0.000 0.504 242 F N 0.603 120.507 119.950 -0.078 0.000 2.135 242 F HA -0.286 4.244 4.527 0.005 0.000 0.300 242 F C 1.652 177.364 175.800 -0.148 0.000 1.074 242 F CA 1.970 59.889 58.000 -0.136 0.000 1.262 242 F CB -0.709 38.132 39.000 -0.265 0.000 1.013 242 F HN 0.182 nan 8.300 nan 0.000 0.489 243 K N 0.260 120.117 120.400 -0.906 0.000 2.009 243 K HA -0.196 4.128 4.320 0.005 0.000 0.210 243 K C 1.651 178.036 176.600 -0.359 0.000 1.049 243 K CA 2.107 57.974 56.287 -0.700 0.000 0.929 243 K CB -0.203 31.691 32.500 -1.010 0.000 0.714 243 K HN 0.359 nan 8.250 nan 0.000 0.440 244 E N -1.079 118.937 120.200 -0.308 0.000 2.479 244 E HA 0.012 4.366 4.350 0.005 0.000 0.193 244 E C 0.525 177.088 176.600 -0.062 0.000 1.049 244 E CA 0.030 56.295 56.400 -0.225 0.000 0.870 244 E CB 0.440 30.042 29.700 -0.163 0.000 0.944 244 E HN 0.165 nan 8.360 nan 0.000 0.492 245 c N 1.909 120.518 118.600 0.015 0.000 2.884 245 c HA 0.151 4.724 4.570 0.005 0.000 0.287 245 c C 0.504 174.747 174.090 0.256 0.000 1.310 245 c CA -0.457 55.946 56.329 0.124 0.000 1.725 245 c CB -1.629 40.938 42.510 0.095 0.000 2.060 245 c HN 0.493 nan 8.230 nan 0.000 0.618 246 H N -0.285 118.863 119.070 0.130 0.000 2.654 246 H HA 0.215 4.774 4.556 0.005 0.000 0.376 246 H C 0.676 176.058 175.328 0.089 0.000 1.503 246 H CA -0.169 55.995 56.048 0.192 0.000 1.464 246 H CB 0.178 30.157 29.762 0.361 0.000 1.565 246 H HN 0.251 nan 8.280 nan 0.000 0.614 247 L N -1.131 120.017 121.223 -0.125 0.000 2.902 247 L HA 0.580 4.923 4.340 0.005 0.000 0.254 247 L C 0.438 177.030 176.870 -0.465 0.000 1.115 247 L CA 0.499 55.188 54.840 -0.252 0.000 0.947 247 L CB 0.360 42.327 42.059 -0.153 0.000 1.369 247 L HN 0.894 nan 8.230 nan 0.000 0.538 248 A N 0.456 122.963 122.820 -0.520 0.000 2.555 248 A HA 0.252 4.575 4.320 0.005 0.000 0.299 248 A C -1.623 175.740 177.584 -0.368 0.000 0.962 248 A CA -0.524 51.240 52.037 -0.455 0.000 0.646 248 A CB 0.621 19.437 19.000 -0.307 0.000 1.327 248 A HN 0.041 nan 8.150 nan 0.000 0.428 249 Q N 1.016 120.605 119.800 -0.352 0.000 2.322 249 Q HA 0.575 4.918 4.340 0.005 0.000 0.256 249 Q C -0.691 175.076 176.000 -0.387 0.000 0.960 249 Q CA -0.433 55.129 55.803 -0.401 0.000 0.934 249 Q CB 0.796 29.360 28.738 -0.290 0.000 1.200 249 Q HN 1.481 nan 8.270 nan 0.000 0.435 250 V N 2.227 121.838 119.914 -0.506 0.000 2.680 250 V HA 0.687 4.810 4.120 0.005 0.000 0.309 250 V C -2.508 173.229 176.094 -0.595 0.000 1.052 250 V CA -2.590 59.294 62.300 -0.693 0.000 0.908 250 V CB 1.287 32.429 31.823 -1.135 0.000 1.001 250 V HN 0.745 nan 8.190 nan 0.000 0.431 251 P HA 0.173 nan 4.420 nan 0.000 0.269 251 P C 0.282 177.426 177.300 -0.260 0.000 1.215 251 P CA 0.196 63.070 63.100 -0.377 0.000 0.780 251 P CB 0.775 32.042 31.700 -0.721 0.000 0.898 252 S N 1.844 117.618 115.700 0.123 0.000 2.587 252 S HA 0.077 4.550 4.470 0.005 0.000 0.252 252 S C 0.596 175.646 174.600 0.750 0.000 1.282 252 S CA -0.324 58.298 58.200 0.704 0.000 0.977 252 S CB -0.629 62.740 63.200 0.282 0.000 1.015 252 S HN 0.484 nan 8.310 nan 0.000 0.557 253 H N -0.068 119.338 119.070 0.561 0.000 2.629 253 H HA 0.558 5.117 4.556 0.005 0.000 0.357 253 H C 0.373 175.946 175.328 0.408 0.000 1.121 253 H CA -0.245 56.094 56.048 0.485 0.000 1.406 253 H CB 0.823 30.856 29.762 0.451 0.000 1.456 253 H HN 0.746 nan 8.280 nan 0.000 0.579 254 A N 2.403 125.504 122.820 0.468 0.000 2.389 254 A HA 0.611 4.934 4.320 0.005 0.000 0.293 254 A C -0.853 176.920 177.584 0.315 0.000 1.186 254 A CA -0.639 51.562 52.037 0.272 0.000 0.828 254 A CB 1.187 20.116 19.000 -0.117 0.000 1.369 254 A HN 0.423 nan 8.150 nan 0.000 0.446 255 V N 0.568 120.634 119.914 0.253 0.000 2.495 255 V HA 0.496 4.619 4.120 0.005 0.000 0.298 255 V C -0.271 175.871 176.094 0.080 0.000 1.031 255 V CA -0.516 61.932 62.300 0.247 0.000 0.871 255 V CB 1.426 33.421 31.823 0.287 0.000 0.988 255 V HN 0.934 nan 8.190 nan 0.000 0.432 256 V N 1.601 121.538 119.914 0.039 0.000 2.217 256 V HA 0.811 4.934 4.120 0.005 0.000 0.264 256 V C 0.466 176.529 176.094 -0.052 0.000 1.107 256 V CA -0.627 61.669 62.300 -0.006 0.000 0.913 256 V CB 0.466 32.303 31.823 0.024 0.000 1.153 256 V HN 0.902 nan 8.190 nan 0.000 0.469 257 A N 4.579 127.363 122.820 -0.060 0.000 2.289 257 A HA 0.728 5.051 4.320 0.005 0.000 0.298 257 A C 0.756 178.314 177.584 -0.043 0.000 1.208 257 A CA -0.793 51.202 52.037 -0.070 0.000 0.845 257 A CB 0.300 19.259 19.000 -0.070 0.000 1.125 257 A HN 0.921 nan 8.150 nan 0.000 0.517 258 R N 1.917 122.396 120.500 -0.035 0.000 2.500 258 R HA -0.107 4.236 4.340 0.005 0.000 0.280 258 R C 1.430 177.716 176.300 -0.024 0.000 0.977 258 R CA 0.638 56.726 56.100 -0.020 0.000 1.078 258 R CB -0.048 30.242 30.300 -0.017 0.000 0.869 258 R HN 0.750 nan 8.270 nan 0.000 0.430 259 S N -0.134 115.553 115.700 -0.021 0.000 2.359 259 S HA -0.075 4.398 4.470 0.005 0.000 0.223 259 S C 0.584 175.166 174.600 -0.030 0.000 1.039 259 S CA 1.255 59.437 58.200 -0.028 0.000 1.042 259 S CB 0.288 63.470 63.200 -0.030 0.000 0.915 259 S HN 0.340 nan 8.310 nan 0.000 0.439 260 V N 1.095 120.993 119.914 -0.026 0.000 2.623 260 V HA 0.455 4.579 4.120 0.005 0.000 0.304 260 V C -0.467 175.615 176.094 -0.021 0.000 1.054 260 V CA -0.486 61.799 62.300 -0.025 0.000 0.882 260 V CB 1.691 33.499 31.823 -0.025 0.000 1.002 260 V HN 0.292 nan 8.190 nan 0.000 0.424 261 D N 3.290 123.677 120.400 -0.021 0.000 3.026 261 D HA -0.121 4.522 4.640 0.005 0.000 0.205 261 D C 1.317 177.603 176.300 -0.024 0.000 1.028 261 D CA 1.362 55.350 54.000 -0.020 0.000 0.991 261 D CB -1.167 39.623 40.800 -0.017 0.000 1.067 261 D HN 0.915 nan 8.370 nan 0.000 0.439 262 G N 0.527 109.310 108.800 -0.029 0.000 3.371 262 G HA2 0.212 4.176 3.960 0.005 0.000 0.248 262 G HA3 0.212 4.176 3.960 0.005 0.000 0.248 262 G C 0.160 175.034 174.900 -0.043 0.000 1.161 262 G CA 0.263 45.339 45.100 -0.040 0.000 0.796 262 G HN 0.249 nan 8.290 nan 0.000 0.539 263 K N 0.539 120.922 120.400 -0.029 0.000 4.405 263 K HA -0.224 4.099 4.320 0.005 0.000 0.287 263 K C 0.797 177.389 176.600 -0.013 0.000 0.905 263 K CA 0.740 57.014 56.287 -0.020 0.000 0.867 263 K CB -1.276 31.208 32.500 -0.026 0.000 1.652 263 K HN 0.560 nan 8.250 nan 0.000 0.435 264 E N 0.774 120.973 120.200 -0.002 0.000 2.160 264 E HA -0.241 4.112 4.350 0.005 0.000 0.195 264 E C 1.285 177.930 176.600 0.075 0.000 0.991 264 E CA 1.694 58.106 56.400 0.019 0.000 0.810 264 E CB -0.158 29.545 29.700 0.005 0.000 0.742 264 E HN 0.799 nan 8.360 nan 0.000 0.466 265 N N -0.114 118.630 118.700 0.073 0.000 2.235 265 N HA 0.021 4.764 4.740 0.005 0.000 0.209 265 N C 1.248 176.823 175.510 0.109 0.000 1.122 265 N CA 0.010 53.139 53.050 0.132 0.000 0.845 265 N CB 0.334 38.883 38.487 0.103 0.000 1.004 265 N HN 0.060 nan 8.380 nan 0.000 0.499 266 L N -0.348 120.905 121.223 0.050 0.000 2.316 266 L HA 0.425 4.768 4.340 0.005 0.000 0.207 266 L C 1.817 178.677 176.870 -0.016 0.000 1.070 266 L CA 0.425 55.268 54.840 0.006 0.000 0.820 266 L CB -0.026 42.021 42.059 -0.021 0.000 0.992 266 L HN 0.155 nan 8.230 nan 0.000 0.466 267 I N -0.902 119.665 120.570 -0.005 0.000 2.286 267 I HA -0.332 3.841 4.170 0.005 0.000 0.248 267 I C 2.203 178.323 176.117 0.005 0.000 1.115 267 I CA 1.676 62.957 61.300 -0.032 0.000 1.392 267 I CB -0.383 37.591 38.000 -0.042 0.000 1.065 267 I HN 0.596 nan 8.210 nan 0.000 0.418 268 W N 1.932 123.218 121.300 -0.023 0.000 2.494 268 W HA -0.094 4.569 4.660 0.005 0.000 0.286 268 W C 2.080 178.614 176.519 0.025 0.000 1.218 268 W CA 0.789 58.137 57.345 0.006 0.000 1.313 268 W CB -0.054 29.418 29.460 0.019 0.000 1.105 268 W HN 0.140 nan 8.180 nan 0.000 0.561 269 E N 0.825 120.958 120.200 -0.111 0.000 2.160 269 E HA -0.265 4.088 4.350 0.005 0.000 0.195 269 E C 2.119 178.575 176.600 -0.240 0.000 0.991 269 E CA 1.501 57.808 56.400 -0.155 0.000 0.810 269 E CB -0.392 29.301 29.700 -0.012 0.000 0.742 269 E HN 0.205 nan 8.360 nan 0.000 0.466 270 L N 0.245 121.334 121.223 -0.224 0.000 2.201 270 L HA -0.117 4.226 4.340 0.005 0.000 0.212 270 L C 1.694 178.435 176.870 -0.214 0.000 1.105 270 L CA 1.582 56.308 54.840 -0.190 0.000 0.775 270 L CB -0.168 41.781 42.059 -0.182 0.000 0.913 270 L HN 0.042 nan 8.230 nan 0.000 0.440 271 L N -0.977 119.966 121.223 -0.467 0.000 2.592 271 L HA 0.150 4.493 4.340 0.005 0.000 0.227 271 L C 2.448 178.875 176.870 -0.738 0.000 1.127 271 L CA -0.004 54.462 54.840 -0.622 0.000 0.884 271 L CB -0.435 41.088 42.059 -0.894 0.000 1.065 271 L HN 0.171 nan 8.230 nan 0.000 0.457 272 R N 0.345 120.480 120.500 -0.608 0.000 2.070 272 R HA -0.111 4.232 4.340 0.005 0.000 0.233 272 R C 1.906 178.158 176.300 -0.081 0.000 1.137 272 R CA 1.044 57.031 56.100 -0.188 0.000 0.945 272 R CB -0.285 30.005 30.300 -0.018 0.000 0.845 272 R HN 0.203 nan 8.270 nan 0.000 0.430 273 K N 0.318 120.665 120.400 -0.088 0.000 2.280 273 K HA -0.047 4.276 4.320 0.005 0.000 0.202 273 K C 1.873 178.536 176.600 0.104 0.000 1.047 273 K CA 1.147 57.432 56.287 -0.003 0.000 0.942 273 K CB -0.029 32.464 32.500 -0.012 0.000 0.739 273 K HN 0.188 nan 8.250 nan 0.000 0.457 274 A N 1.666 124.582 122.820 0.160 0.000 1.871 274 A HA -0.161 4.162 4.320 0.005 0.000 0.211 274 A C 2.201 179.969 177.584 0.306 0.000 1.207 274 A CA 0.927 53.188 52.037 0.375 0.000 0.620 274 A CB -0.449 18.868 19.000 0.527 0.000 0.860 274 A HN 0.409 nan 8.150 nan 0.000 0.450 275 Q N 0.785 120.744 119.800 0.266 0.000 2.248 275 Q HA -0.267 4.076 4.340 0.005 0.000 0.208 275 Q C 1.598 177.717 176.000 0.198 0.000 0.984 275 Q CA 2.030 58.010 55.803 0.295 0.000 0.875 275 Q CB -0.549 28.356 28.738 0.278 0.000 0.910 275 Q HN 0.874 nan 8.270 nan 0.000 0.433 276 E N 0.669 120.944 120.200 0.125 0.000 2.048 276 E HA -0.045 4.308 4.350 0.005 0.000 0.193 276 E C 1.836 178.428 176.600 -0.013 0.000 0.956 276 E CA 0.193 56.627 56.400 0.058 0.000 0.846 276 E CB -0.340 29.380 29.700 0.034 0.000 0.827 276 E HN 0.011 nan 8.360 nan 0.000 0.466 277 K N 0.598 120.924 120.400 -0.123 0.000 2.049 277 K HA -0.160 4.163 4.320 0.005 0.000 0.219 277 K C 1.142 177.417 176.600 -0.541 0.000 1.056 277 K CA 1.884 57.913 56.287 -0.429 0.000 0.946 277 K CB -0.430 31.654 32.500 -0.693 0.000 0.723 277 K HN 0.270 nan 8.250 nan 0.000 0.453 278 F N -0.203 119.830 119.950 0.139 0.000 2.791 278 F HA 0.381 4.911 4.527 0.005 0.000 0.308 278 F C 1.009 176.895 175.800 0.143 0.000 1.138 278 F CA -0.504 57.579 58.000 0.137 0.000 1.294 278 F CB -0.023 39.084 39.000 0.178 0.000 0.975 278 F HN -0.028 nan 8.300 nan 0.000 0.512 279 G N 0.695 109.632 108.800 0.228 0.000 2.750 279 G HA2 0.019 3.982 3.960 0.005 0.000 0.250 279 G HA3 0.019 3.982 3.960 0.005 0.000 0.250 279 G C -0.169 174.859 174.900 0.212 0.000 1.230 279 G CA -0.635 44.616 45.100 0.251 0.000 0.883 279 G HN 0.263 nan 8.290 nan 0.000 0.573 280 K N 0.512 121.015 120.400 0.171 0.000 2.379 280 K HA 0.043 4.366 4.320 0.005 0.000 0.284 280 K C 0.371 177.006 176.600 0.059 0.000 1.044 280 K CA 0.108 56.450 56.287 0.091 0.000 0.974 280 K CB -0.015 32.480 32.500 -0.007 0.000 0.962 280 K HN 0.641 nan 8.250 nan 0.000 0.474 281 N N 2.289 121.020 118.700 0.052 0.000 2.952 281 N HA -0.155 4.588 4.740 0.005 0.000 0.245 281 N C -0.382 175.154 175.510 0.044 0.000 1.029 281 N CA 0.945 54.018 53.050 0.037 0.000 0.870 281 N CB -0.624 37.876 38.487 0.022 0.000 1.121 281 N HN 0.674 nan 8.380 nan 0.000 0.559 282 K N 0.297 120.735 120.400 0.063 0.000 3.934 282 K HA 0.267 4.590 4.320 0.005 0.000 0.239 282 K C 0.112 176.751 176.600 0.066 0.000 1.230 282 K CA 0.031 56.350 56.287 0.053 0.000 1.588 282 K CB 0.146 32.668 32.500 0.038 0.000 2.333 282 K HN -0.067 nan 8.250 nan 0.000 0.482 283 S N 2.970 118.727 115.700 0.095 0.000 2.415 283 S HA 0.130 4.603 4.470 0.005 0.000 0.313 283 S C -0.665 174.080 174.600 0.242 0.000 1.067 283 S CA -0.525 57.764 58.200 0.148 0.000 1.099 283 S CB 0.490 63.752 63.200 0.104 0.000 0.991 283 S HN 0.250 nan 8.310 nan 0.000 0.491 284 Q N 2.004 121.897 119.800 0.155 0.000 2.607 284 Q HA 0.487 4.830 4.340 0.005 0.000 0.247 284 Q C -0.131 175.923 176.000 0.090 0.000 1.033 284 Q CA -0.685 55.191 55.803 0.122 0.000 0.769 284 Q CB 0.660 29.437 28.738 0.065 0.000 1.169 284 Q HN 0.554 nan 8.270 nan 0.000 0.508 285 R N 2.273 122.844 120.500 0.118 0.000 2.566 285 R HA 0.305 4.648 4.340 0.005 0.000 0.388 285 R C -1.481 174.895 176.300 0.127 0.000 0.989 285 R CA -0.130 56.023 56.100 0.089 0.000 1.164 285 R CB 0.853 31.202 30.300 0.082 0.000 1.459 285 R HN 0.588 nan 8.270 nan 0.000 0.553 286 F N 1.288 121.207 119.950 -0.051 0.000 3.348 286 F HA 0.272 4.802 4.527 0.005 0.000 0.367 286 F C -1.581 174.130 175.800 -0.148 0.000 1.214 286 F CA -0.678 57.227 58.000 -0.157 0.000 1.323 286 F CB 0.961 39.781 39.000 -0.300 0.000 1.721 286 F HN -0.102 nan 8.300 nan 0.000 0.733 287 Q N 3.750 123.188 119.800 -0.603 0.000 2.249 287 Q HA 0.416 4.759 4.340 0.005 0.000 0.226 287 Q C 0.618 176.057 176.000 -0.935 0.000 0.983 287 Q CA -0.687 54.867 55.803 -0.414 0.000 0.930 287 Q CB 1.345 29.962 28.738 -0.202 0.000 1.193 287 Q HN 0.768 nan 8.270 nan 0.000 0.508 288 L N -0.003 120.917 121.223 -0.504 0.000 2.240 288 L HA 0.159 4.503 4.340 0.005 0.000 0.211 288 L C -0.083 176.163 176.870 -1.039 0.000 1.106 288 L CA 1.484 55.780 54.840 -0.906 0.000 0.793 288 L CB 0.196 41.755 42.059 -0.834 0.000 0.927 288 L HN 0.667 nan 8.230 nan 0.000 0.446 289 F N 0.018 119.827 119.950 -0.235 0.000 2.798 289 F HA 0.668 5.198 4.527 0.005 0.000 0.333 289 F C 0.621 176.304 175.800 -0.194 0.000 1.324 289 F CA -0.303 57.632 58.000 -0.108 0.000 1.183 289 F CB 0.388 39.398 39.000 0.017 0.000 1.132 289 F HN -0.025 nan 8.300 nan 0.000 0.521 290 G N -0.243 108.400 108.800 -0.261 0.000 2.728 290 G HA2 0.441 4.404 3.960 0.005 0.000 0.294 290 G HA3 0.441 4.404 3.960 0.005 0.000 0.294 290 G C -1.374 173.372 174.900 -0.257 0.000 1.398 290 G CA -0.566 44.407 45.100 -0.212 0.000 1.183 290 G HN 0.022 nan 8.290 nan 0.000 0.578 291 S N 2.125 117.739 115.700 -0.142 0.000 2.565 291 S HA 0.721 5.194 4.470 0.005 0.000 0.290 291 S C -1.844 172.718 174.600 -0.064 0.000 1.150 291 S CA -0.810 57.331 58.200 -0.098 0.000 1.058 291 S CB 1.732 64.902 63.200 -0.050 0.000 1.032 291 S HN 0.539 nan 8.310 nan 0.000 0.510 292 P HA 0.016 nan 4.420 nan 0.000 0.273 292 P C -0.411 176.881 177.300 -0.012 0.000 1.252 292 P CA -0.332 62.752 63.100 -0.026 0.000 0.809 292 P CB 0.284 31.978 31.700 -0.010 0.000 1.017 293 E N 0.268 120.464 120.200 -0.006 0.000 2.558 293 E HA 0.142 4.495 4.350 0.005 0.000 0.255 293 E C 1.222 177.827 176.600 0.008 0.000 0.968 293 E CA 1.447 57.847 56.400 0.000 0.000 0.939 293 E CB -0.359 29.342 29.700 0.001 0.000 0.921 293 E HN 0.819 nan 8.360 nan 0.000 0.477 294 G N 3.660 112.467 108.800 0.012 0.000 2.194 294 G HA2 -0.273 3.690 3.960 0.005 0.000 0.236 294 G HA3 -0.273 3.690 3.960 0.005 0.000 0.236 294 G C 0.366 175.282 174.900 0.028 0.000 0.987 294 G CA -0.002 45.110 45.100 0.019 0.000 0.635 294 G HN 0.456 nan 8.290 nan 0.000 0.520 295 R N -0.088 120.428 120.500 0.026 0.000 2.686 295 R HA 0.724 5.068 4.340 0.005 0.000 0.283 295 R C -0.411 175.907 176.300 0.030 0.000 0.978 295 R CA -0.892 55.228 56.100 0.035 0.000 0.897 295 R CB 1.177 31.496 30.300 0.031 0.000 1.192 295 R HN 0.079 nan 8.270 nan 0.000 0.457 296 R N 1.554 122.080 120.500 0.043 0.000 2.711 296 R HA 0.201 4.544 4.340 0.005 0.000 0.284 296 R C -0.720 175.603 176.300 0.038 0.000 0.968 296 R CA -0.755 55.367 56.100 0.036 0.000 0.924 296 R CB 1.205 31.532 30.300 0.045 0.000 1.162 296 R HN 0.755 nan 8.270 nan 0.000 0.465 297 D N 1.122 121.538 120.400 0.028 0.000 2.739 297 D HA -0.221 4.422 4.640 0.005 0.000 0.230 297 D C 0.025 176.358 176.300 0.054 0.000 1.167 297 D CA 0.823 54.849 54.000 0.042 0.000 0.640 297 D CB -1.269 39.564 40.800 0.054 0.000 1.045 297 D HN 0.366 nan 8.370 nan 0.000 0.421 298 L N -0.329 120.904 121.223 0.017 0.000 2.485 298 L HA 0.047 4.390 4.340 0.005 0.000 0.275 298 L C 2.214 179.035 176.870 -0.081 0.000 1.207 298 L CA -0.222 54.620 54.840 0.004 0.000 0.855 298 L CB 0.251 42.308 42.059 -0.003 0.000 1.114 298 L HN 0.169 nan 8.230 nan 0.000 0.485 299 L N 0.244 121.419 121.223 -0.080 0.000 3.519 299 L HA -0.352 3.991 4.340 0.005 0.000 0.056 299 L C -0.392 176.432 176.870 -0.077 0.000 4.396 299 L CA 1.564 56.221 54.840 -0.305 0.000 0.548 299 L CB -0.935 40.641 42.059 -0.804 0.000 3.530 299 L HN 0.420 nan 8.230 nan 0.000 0.816 300 F N 0.728 120.722 119.950 0.074 0.000 2.493 300 F HA 0.435 4.965 4.527 0.005 0.000 0.329 300 F C 0.464 176.373 175.800 0.180 0.000 1.126 300 F CA -1.394 56.739 58.000 0.221 0.000 0.937 300 F CB 1.318 40.499 39.000 0.302 0.000 1.146 300 F HN -0.030 nan 8.300 nan 0.000 0.442 301 K N 2.846 123.446 120.400 0.333 0.000 2.438 301 K HA -0.106 4.217 4.320 0.005 0.000 0.270 301 K C -0.293 176.363 176.600 0.094 0.000 1.095 301 K CA 0.095 56.464 56.287 0.137 0.000 1.174 301 K CB 0.029 32.527 32.500 -0.003 0.000 0.830 301 K HN 0.484 nan 8.250 nan 0.000 0.487 302 D N 3.378 123.804 120.400 0.043 0.000 2.648 302 D HA -0.085 4.558 4.640 0.005 0.000 0.229 302 D C 0.289 176.563 176.300 -0.043 0.000 1.119 302 D CA 1.310 55.317 54.000 0.012 0.000 0.850 302 D CB 0.450 41.242 40.800 -0.015 0.000 1.169 302 D HN 0.755 nan 8.370 nan 0.000 0.489 303 S N -0.982 114.699 115.700 -0.032 0.000 2.596 303 S HA -0.220 4.253 4.470 0.005 0.000 0.260 303 S C 0.457 174.963 174.600 -0.157 0.000 1.282 303 S CA 0.809 58.956 58.200 -0.088 0.000 1.357 303 S CB -1.418 61.717 63.200 -0.107 0.000 1.674 303 S HN 0.836 nan 8.310 nan 0.000 0.641 304 A N 1.245 123.957 122.820 -0.181 0.000 2.450 304 A HA 0.614 4.937 4.320 0.005 0.000 0.255 304 A C 1.274 178.429 177.584 -0.715 0.000 1.096 304 A CA -0.210 51.674 52.037 -0.254 0.000 0.778 304 A CB 0.069 19.055 19.000 -0.023 0.000 1.031 304 A HN 0.207 nan 8.150 nan 0.000 0.494 305 L N 2.430 123.343 121.223 -0.518 0.000 2.042 305 L HA 0.087 4.430 4.340 0.005 0.000 0.210 305 L C 1.650 178.012 176.870 -0.847 0.000 1.076 305 L CA 2.130 56.656 54.840 -0.525 0.000 0.749 305 L CB -1.618 40.291 42.059 -0.251 0.000 0.893 305 L HN 1.145 nan 8.230 nan 0.000 0.432 306 G N -3.420 104.840 108.800 -0.899 0.000 2.403 306 G HA2 0.138 4.101 3.960 0.005 0.000 0.223 306 G HA3 0.138 4.101 3.960 0.005 0.000 0.223 306 G C -1.337 173.246 174.900 -0.528 0.000 1.287 306 G CA -0.744 44.006 45.100 -0.583 0.000 0.982 306 G HN -0.110 nan 8.290 nan 0.000 0.471 307 F N 0.114 120.151 119.950 0.144 0.000 2.523 307 F HA 0.886 5.416 4.527 0.005 0.000 0.329 307 F C 0.621 176.608 175.800 0.312 0.000 1.061 307 F CA -0.792 57.340 58.000 0.221 0.000 0.967 307 F CB 1.929 41.118 39.000 0.316 0.000 1.218 307 F HN 0.358 nan 8.300 nan 0.000 0.480 308 L N 0.562 122.062 121.223 0.461 0.000 2.257 308 L HA 0.659 5.002 4.340 0.005 0.000 0.257 308 L C -0.887 176.053 176.870 0.117 0.000 1.033 308 L CA -1.287 53.702 54.840 0.249 0.000 0.835 308 L CB 2.571 44.722 42.059 0.152 0.000 1.398 308 L HN 0.588 nan 8.230 nan 0.000 0.429 309 R N 0.942 121.365 120.500 -0.128 0.000 2.437 309 R HA 0.638 4.981 4.340 0.005 0.000 0.310 309 R C -1.681 174.639 176.300 0.033 0.000 0.955 309 R CA -0.272 55.638 56.100 -0.316 0.000 0.851 309 R CB 0.996 30.765 30.300 -0.885 0.000 1.161 309 R HN 0.484 nan 8.270 nan 0.000 0.446 310 I N 5.753 126.321 120.570 -0.004 0.000 2.336 310 I HA 0.340 4.513 4.170 0.005 0.000 0.292 310 I C -1.882 174.080 176.117 -0.258 0.000 0.991 310 I CA -2.745 58.482 61.300 -0.122 0.000 1.227 310 I CB 2.168 40.117 38.000 -0.085 0.000 1.366 310 I HN 0.546 nan 8.210 nan 0.000 0.466 311 P HA 0.078 nan 4.420 nan 0.000 0.259 311 P C 0.756 177.909 177.300 -0.244 0.000 1.635 311 P CA 0.217 63.141 63.100 -0.293 0.000 1.199 311 P CB 0.222 31.709 31.700 -0.355 0.000 1.850 312 S N 1.460 117.057 115.700 -0.171 0.000 2.616 312 S HA -0.295 4.178 4.470 0.005 0.000 0.326 312 S C 1.786 176.317 174.600 -0.115 0.000 1.276 312 S CA 1.563 59.688 58.200 -0.126 0.000 1.121 312 S CB -0.396 62.751 63.200 -0.088 0.000 0.767 312 S HN 0.449 nan 8.310 nan 0.000 0.489 313 K N 0.469 120.793 120.400 -0.127 0.000 2.418 313 K HA 0.181 4.504 4.320 0.005 0.000 0.195 313 K C 0.403 176.941 176.600 -0.104 0.000 1.035 313 K CA 0.187 56.412 56.287 -0.102 0.000 1.003 313 K CB 0.053 32.497 32.500 -0.093 0.000 0.793 313 K HN 0.371 nan 8.250 nan 0.000 0.494 314 V N 2.853 122.679 119.914 -0.146 0.000 2.334 314 V HA 0.107 4.230 4.120 0.005 0.000 0.267 314 V C -0.627 175.419 176.094 -0.081 0.000 1.040 314 V CA -0.474 61.755 62.300 -0.119 0.000 0.866 314 V CB 0.478 32.174 31.823 -0.211 0.000 1.019 314 V HN 0.256 nan 8.190 nan 0.000 0.468 315 D N 3.981 124.364 120.400 -0.029 0.000 2.489 315 D HA 0.402 5.045 4.640 0.005 0.000 0.232 315 D C 1.500 177.823 176.300 0.039 0.000 1.230 315 D CA 0.238 54.227 54.000 -0.019 0.000 1.101 315 D CB 0.200 40.983 40.800 -0.027 0.000 1.198 315 D HN 0.415 nan 8.370 nan 0.000 0.611 316 S N 0.338 116.060 115.700 0.036 0.000 2.444 316 S HA -0.274 4.199 4.470 0.005 0.000 0.225 316 S C 2.282 176.970 174.600 0.145 0.000 1.042 316 S CA 1.277 59.523 58.200 0.078 0.000 1.132 316 S CB -1.483 61.729 63.200 0.021 0.000 1.099 316 S HN 0.636 nan 8.310 nan 0.000 0.417 317 A N 1.398 124.287 122.820 0.116 0.000 1.940 317 A HA 0.013 4.336 4.320 0.005 0.000 0.219 317 A C 2.314 179.971 177.584 0.121 0.000 1.176 317 A CA 1.500 53.629 52.037 0.153 0.000 0.631 317 A CB -0.933 18.130 19.000 0.104 0.000 0.814 317 A HN 0.501 nan 8.150 nan 0.000 0.446 318 L N -2.278 119.007 121.223 0.104 0.000 2.093 318 L HA -0.164 4.180 4.340 0.005 0.000 0.208 318 L C 2.551 179.521 176.870 0.165 0.000 1.085 318 L CA 1.772 56.671 54.840 0.098 0.000 0.755 318 L CB -0.380 41.711 42.059 0.054 0.000 0.904 318 L HN 0.664 nan 8.230 nan 0.000 0.435 319 Y N 0.905 121.250 120.300 0.075 0.000 2.220 319 Y HA -0.184 4.369 4.550 0.005 0.000 0.291 319 Y C 2.293 178.279 175.900 0.144 0.000 1.129 319 Y CA 1.367 59.541 58.100 0.123 0.000 1.161 319 Y CB -0.216 38.327 38.460 0.139 0.000 0.997 319 Y HN 0.048 nan 8.280 nan 0.000 0.522 320 L N 0.233 121.591 121.223 0.225 0.000 2.450 320 L HA 0.059 4.402 4.340 0.005 0.000 0.225 320 L C 1.345 178.325 176.870 0.183 0.000 1.145 320 L CA 0.650 55.618 54.840 0.215 0.000 0.801 320 L CB -1.798 40.297 42.059 0.060 0.000 0.924 320 L HN 0.440 nan 8.230 nan 0.000 0.447 321 G N -0.650 108.191 108.800 0.068 0.000 2.685 321 G HA2 -0.217 3.746 3.960 0.005 0.000 0.387 321 G HA3 -0.217 3.746 3.960 0.005 0.000 0.387 321 G C 0.162 175.068 174.900 0.010 0.000 1.324 321 G CA -0.168 44.952 45.100 0.033 0.000 0.878 321 G HN 0.035 nan 8.290 nan 0.000 0.527 322 S N -1.264 114.434 115.700 -0.002 0.000 2.564 322 S HA 0.140 4.614 4.470 0.005 0.000 0.231 322 S C 2.210 176.801 174.600 -0.016 0.000 1.067 322 S CA 0.997 59.186 58.200 -0.018 0.000 0.908 322 S CB -0.073 63.117 63.200 -0.017 0.000 0.809 322 S HN 0.596 nan 8.310 nan 0.000 0.491 323 R N -0.392 120.105 120.500 -0.006 0.000 2.120 323 R HA -0.044 4.299 4.340 0.005 0.000 0.234 323 R C 1.750 178.072 176.300 0.036 0.000 1.123 323 R CA 1.430 57.525 56.100 -0.009 0.000 0.975 323 R CB -0.306 29.974 30.300 -0.035 0.000 0.866 323 R HN 0.539 nan 8.270 nan 0.000 0.446 324 Y N 0.328 120.558 120.300 -0.118 0.000 2.509 324 Y HA 0.185 4.739 4.550 0.005 0.000 0.270 324 Y C 1.501 177.319 175.900 -0.137 0.000 1.103 324 Y CA 0.033 58.053 58.100 -0.134 0.000 1.278 324 Y CB 0.046 38.416 38.460 -0.150 0.000 1.087 324 Y HN -0.112 nan 8.280 nan 0.000 0.542 325 L N -0.179 120.944 121.223 -0.167 0.000 2.622 325 L HA -0.080 4.263 4.340 0.005 0.000 0.233 325 L C 1.420 178.171 176.870 -0.198 0.000 1.156 325 L CA 1.128 55.804 54.840 -0.274 0.000 0.866 325 L CB -0.255 41.722 42.059 -0.137 0.000 0.980 325 L HN 0.186 nan 8.230 nan 0.000 0.448 326 T N -1.295 113.187 114.554 -0.120 0.000 3.022 326 T HA 0.181 4.535 4.350 0.005 0.000 0.250 326 T C 1.573 176.230 174.700 -0.073 0.000 1.060 326 T CA 0.697 62.751 62.100 -0.077 0.000 1.013 326 T CB 0.556 69.399 68.868 -0.041 0.000 0.982 326 T HN 0.408 nan 8.240 nan 0.000 0.508 327 A N 1.616 124.390 122.820 -0.075 0.000 1.908 327 A HA 0.223 4.547 4.320 0.005 0.000 0.217 327 A C 1.867 179.358 177.584 -0.156 0.000 1.378 327 A CA 0.618 52.636 52.037 -0.031 0.000 0.613 327 A CB -0.896 18.231 19.000 0.212 0.000 1.053 327 A HN 0.400 nan 8.150 nan 0.000 0.484 328 L N 0.031 121.025 121.223 -0.382 0.000 2.211 328 L HA -0.254 4.089 4.340 0.005 0.000 0.216 328 L C 2.100 178.725 176.870 -0.408 0.000 1.092 328 L CA 2.218 56.717 54.840 -0.568 0.000 0.767 328 L CB -0.744 40.517 42.059 -1.329 0.000 0.894 328 L HN 0.322 nan 8.230 nan 0.000 0.437 329 K N -0.401 119.831 120.400 -0.280 0.000 2.056 329 K HA -0.021 4.302 4.320 0.005 0.000 0.205 329 K C 1.839 178.423 176.600 -0.026 0.000 1.035 329 K CA 0.750 56.970 56.287 -0.113 0.000 0.955 329 K CB -0.420 32.025 32.500 -0.091 0.000 0.769 329 K HN 0.259 nan 8.250 nan 0.000 0.447 330 N N 1.207 119.887 118.700 -0.033 0.000 2.165 330 N HA -0.303 4.440 4.740 0.005 0.000 0.175 330 N C 1.819 177.374 175.510 0.075 0.000 0.833 330 N CA 2.316 55.371 53.050 0.007 0.000 0.886 330 N CB -0.300 38.181 38.487 -0.010 0.000 1.015 330 N HN 0.044 nan 8.380 nan 0.000 0.938 331 L N 0.849 122.132 121.223 0.100 0.000 1.970 331 L HA -0.188 4.155 4.340 0.005 0.000 0.212 331 L C 2.254 179.330 176.870 0.344 0.000 1.071 331 L CA 1.443 56.419 54.840 0.227 0.000 0.751 331 L CB -0.794 41.319 42.059 0.091 0.000 0.889 331 L HN 0.333 nan 8.230 nan 0.000 0.432 332 R N 1.169 121.804 120.500 0.225 0.000 2.357 332 R HA -0.009 4.334 4.340 0.005 0.000 0.202 332 R C 0.069 176.483 176.300 0.189 0.000 1.047 332 R CA 0.417 56.663 56.100 0.242 0.000 1.034 332 R CB -0.814 29.599 30.300 0.189 0.000 0.875 332 R HN 0.447 nan 8.270 nan 0.000 0.473 333 E N 1.572 121.862 120.200 0.151 0.000 2.165 333 E HA 0.189 4.542 4.350 0.005 0.000 0.266 333 E C -0.641 175.985 176.600 0.043 0.000 0.889 333 E CA -0.428 56.017 56.400 0.076 0.000 0.756 333 E CB 1.321 31.047 29.700 0.043 0.000 1.131 333 E HN 0.014 nan 8.360 nan 0.000 0.411 334 T N 2.116 116.656 114.554 -0.023 0.000 2.533 334 T HA -0.037 4.316 4.350 0.005 0.000 0.366 334 T C 1.159 175.789 174.700 -0.117 0.000 1.055 334 T CA 0.478 62.494 62.100 -0.140 0.000 1.043 334 T CB 0.438 69.229 68.868 -0.130 0.000 1.044 334 T HN 0.650 nan 8.240 nan 0.000 0.535 335 A N 0.035 122.760 122.820 -0.158 0.000 2.044 335 A HA 0.093 4.416 4.320 0.005 0.000 0.213 335 A C 1.994 179.530 177.584 -0.079 0.000 1.169 335 A CA 0.955 52.929 52.037 -0.106 0.000 0.724 335 A CB -0.371 18.557 19.000 -0.120 0.000 0.840 335 A HN 0.884 nan 8.150 nan 0.000 0.463 336 E N 0.015 120.164 120.200 -0.084 0.000 2.400 336 E HA 0.035 4.388 4.350 0.005 0.000 0.195 336 E C 1.205 177.775 176.600 -0.050 0.000 1.012 336 E CA 0.869 57.232 56.400 -0.062 0.000 0.875 336 E CB -0.215 29.447 29.700 -0.062 0.000 0.859 336 E HN 0.591 nan 8.360 nan 0.000 0.498 337 E N 0.178 120.347 120.200 -0.052 0.000 2.478 337 E HA 0.018 4.371 4.350 0.005 0.000 0.194 337 E C 1.364 177.947 176.600 -0.029 0.000 1.045 337 E CA 0.268 56.646 56.400 -0.035 0.000 0.868 337 E CB 0.611 30.293 29.700 -0.030 0.000 0.885 337 E HN 0.187 nan 8.360 nan 0.000 0.505 338 V N 0.532 120.426 119.914 -0.034 0.000 3.506 338 V HA -0.005 4.119 4.120 0.005 0.000 0.263 338 V C 1.672 177.742 176.094 -0.040 0.000 1.203 338 V CA 1.165 63.447 62.300 -0.031 0.000 1.133 338 V CB 0.023 31.831 31.823 -0.026 0.000 0.802 338 V HN 0.040 nan 8.190 nan 0.000 0.459 339 K N -0.615 119.759 120.400 -0.043 0.000 2.354 339 K HA 0.266 4.589 4.320 0.005 0.000 0.194 339 K C 2.009 178.582 176.600 -0.045 0.000 1.045 339 K CA 0.753 57.010 56.287 -0.050 0.000 1.026 339 K CB 0.308 32.781 32.500 -0.045 0.000 0.866 339 K HN 0.479 nan 8.250 nan 0.000 0.530 340 A N 1.112 123.911 122.820 -0.034 0.000 1.940 340 A HA -0.142 4.181 4.320 0.005 0.000 0.219 340 A C 1.873 179.441 177.584 -0.026 0.000 1.176 340 A CA 1.409 53.431 52.037 -0.025 0.000 0.631 340 A CB -0.166 18.821 19.000 -0.021 0.000 0.814 340 A HN 0.080 nan 8.150 nan 0.000 0.446 341 R N -1.416 119.064 120.500 -0.032 0.000 2.586 341 R HA 0.274 4.617 4.340 0.005 0.000 0.306 341 R C 0.472 176.733 176.300 -0.065 0.000 1.079 341 R CA 0.559 56.641 56.100 -0.031 0.000 1.083 341 R CB -0.758 29.531 30.300 -0.019 0.000 1.306 341 R HN 0.438 nan 8.270 nan 0.000 0.567 342 C N -1.978 117.256 119.300 -0.110 0.000 3.931 342 C HA 0.368 4.831 4.460 0.005 0.000 0.378 342 C C 0.652 175.402 174.990 -0.400 0.000 1.554 342 C CA 0.110 59.000 59.018 -0.215 0.000 1.926 342 C CB 0.591 28.239 27.740 -0.153 0.000 2.837 342 C HN 0.431 nan 8.230 nan 0.000 0.701 343 T N 0.797 115.218 114.554 -0.222 0.000 3.252 343 T HA 0.268 4.621 4.350 0.005 0.000 0.286 343 T C -0.051 174.698 174.700 0.081 0.000 1.013 343 T CA 0.002 62.029 62.100 -0.122 0.000 0.914 343 T CB -0.171 68.679 68.868 -0.029 0.000 1.131 343 T HN 0.541 nan 8.240 nan 0.000 0.529 344 R N 0.447 120.975 120.500 0.046 0.000 2.854 344 R HA 0.789 5.133 4.340 0.005 0.000 0.271 344 R C -1.675 174.802 176.300 0.295 0.000 0.994 344 R CA -0.453 55.735 56.100 0.147 0.000 0.945 344 R CB 1.510 31.836 30.300 0.042 0.000 1.194 344 R HN 0.014 nan 8.270 nan 0.000 0.476 345 V N 2.275 122.318 119.914 0.216 0.000 3.102 345 V HA 0.582 4.705 4.120 0.005 0.000 0.312 345 V C -1.183 174.973 176.094 0.102 0.000 1.135 345 V CA -0.748 61.668 62.300 0.194 0.000 1.022 345 V CB 2.578 34.521 31.823 0.200 0.000 1.056 345 V HN 0.551 nan 8.190 nan 0.000 0.436 346 V N 1.252 121.229 119.914 0.105 0.000 2.482 346 V HA 0.349 4.472 4.120 0.005 0.000 0.295 346 V C -0.978 175.194 176.094 0.130 0.000 1.026 346 V CA -0.555 61.792 62.300 0.079 0.000 0.856 346 V CB 2.089 33.931 31.823 0.031 0.000 1.001 346 V HN 0.879 nan 8.190 nan 0.000 0.424 347 W N 4.890 126.183 121.300 -0.011 0.000 2.433 347 W HA 0.220 4.884 4.660 0.007 0.000 0.331 347 W C 0.412 176.960 176.519 0.049 0.000 1.110 347 W CA -0.605 56.785 57.345 0.076 0.000 1.450 347 W CB 1.370 30.985 29.460 0.258 0.000 1.348 347 W HN 0.616 nan 8.180 nan 0.000 0.415 348 c N 5.858 124.419 118.600 -0.065 0.000 2.793 348 c HA 0.139 4.712 4.570 0.005 0.000 0.388 348 c C 1.124 175.227 174.090 0.021 0.000 1.254 348 c CA 0.266 56.556 56.329 -0.065 0.000 1.326 348 c CB -1.980 40.425 42.510 -0.174 0.000 2.065 348 c HN 0.495 nan 8.230 nan 0.000 0.597 349 A N 5.620 128.510 122.820 0.118 0.000 2.650 349 A HA 0.411 4.734 4.320 0.005 0.000 0.320 349 A C 0.318 177.938 177.584 0.059 0.000 1.466 349 A CA -0.188 51.937 52.037 0.146 0.000 1.099 349 A CB 0.129 19.245 19.000 0.193 0.000 1.136 349 A HN 0.694 nan 8.150 nan 0.000 0.532 350 V N 3.657 123.585 119.914 0.024 0.000 2.399 350 V HA 0.397 4.520 4.120 0.005 0.000 0.245 350 V C 1.203 177.297 176.094 0.000 0.000 1.089 350 V CA 1.639 63.931 62.300 -0.012 0.000 1.196 350 V CB -1.605 30.190 31.823 -0.047 0.000 1.221 350 V HN 1.510 nan 8.190 nan 0.000 0.482 351 G N 6.488 115.286 108.800 -0.004 0.000 2.298 351 G HA2 0.008 3.971 3.960 0.005 0.000 0.309 351 G HA3 0.008 3.971 3.960 0.005 0.000 0.309 351 G C -2.739 172.167 174.900 0.010 0.000 1.279 351 G CA 0.019 45.117 45.100 -0.003 0.000 1.042 351 G HN 0.345 nan 8.290 nan 0.000 0.480 352 P HA 0.278 nan 4.420 nan 0.000 0.282 352 P C 0.603 177.919 177.300 0.026 0.000 1.327 352 P CA 0.572 63.681 63.100 0.015 0.000 0.949 352 P CB 1.095 32.797 31.700 0.004 0.000 1.445 353 E N 0.308 120.529 120.200 0.034 0.000 2.228 353 E HA 0.047 4.400 4.350 0.005 0.000 0.197 353 E C 1.575 178.210 176.600 0.057 0.000 0.909 353 E CA 0.322 56.748 56.400 0.044 0.000 0.911 353 E CB 0.103 29.830 29.700 0.046 0.000 0.887 353 E HN 0.182 nan 8.360 nan 0.000 0.481 354 E N 0.987 121.224 120.200 0.062 0.000 2.358 354 E HA -0.154 4.199 4.350 0.005 0.000 0.195 354 E C 2.023 178.683 176.600 0.099 0.000 1.010 354 E CA 0.506 56.952 56.400 0.077 0.000 0.856 354 E CB 0.216 29.961 29.700 0.076 0.000 0.795 354 E HN 0.220 nan 8.360 nan 0.000 0.504 355 Q N 0.343 120.190 119.800 0.079 0.000 2.204 355 Q HA -0.098 4.246 4.340 0.005 0.000 0.198 355 Q C 2.073 178.120 176.000 0.077 0.000 0.946 355 Q CA 1.541 57.393 55.803 0.082 0.000 0.859 355 Q CB -0.011 28.758 28.738 0.052 0.000 0.946 355 Q HN 0.162 nan 8.270 nan 0.000 0.474 356 S N 0.876 116.612 115.700 0.060 0.000 2.383 356 S HA -0.175 4.298 4.470 0.005 0.000 0.227 356 S C 1.955 176.593 174.600 0.063 0.000 1.026 356 S CA 1.199 59.428 58.200 0.049 0.000 0.981 356 S CB -0.323 62.898 63.200 0.035 0.000 0.818 356 S HN 0.487 nan 8.310 nan 0.000 0.472 357 K N 0.580 121.031 120.400 0.086 0.000 2.211 357 K HA -0.074 4.249 4.320 0.005 0.000 0.203 357 K C 2.350 179.051 176.600 0.169 0.000 1.050 357 K CA 1.148 57.503 56.287 0.112 0.000 0.945 357 K CB -0.645 31.919 32.500 0.107 0.000 0.732 357 K HN 0.493 nan 8.250 nan 0.000 0.451 358 c N 1.130 119.855 118.600 0.208 0.000 2.455 358 c HA -0.081 4.492 4.570 0.005 0.000 0.281 358 c C 2.475 176.692 174.090 0.210 0.000 1.237 358 c CA 1.153 57.690 56.329 0.348 0.000 1.726 358 c CB -0.860 41.812 42.510 0.271 0.000 2.068 358 c HN 0.636 nan 8.230 nan 0.000 0.466 359 Q N -0.262 119.593 119.800 0.091 0.000 2.631 359 Q HA -0.144 4.199 4.340 0.005 0.000 0.220 359 Q C 1.700 177.679 176.000 -0.036 0.000 0.978 359 Q CA 0.945 56.756 55.803 0.013 0.000 0.961 359 Q CB -0.067 28.676 28.738 0.008 0.000 0.988 359 Q HN 0.773 nan 8.270 nan 0.000 0.567 360 Q N -2.537 117.231 119.800 -0.054 0.000 2.280 360 Q HA -0.019 4.324 4.340 0.005 0.000 0.228 360 Q C 0.768 176.559 176.000 -0.349 0.000 0.857 360 Q CA 0.020 55.699 55.803 -0.207 0.000 0.939 360 Q CB 0.408 29.004 28.738 -0.237 0.000 1.114 360 Q HN 0.462 nan 8.270 nan 0.000 0.514 361 W N -0.091 120.960 121.300 -0.416 0.000 2.868 361 W HA 0.272 4.934 4.660 0.003 0.000 0.320 361 W C 1.657 178.071 176.519 -0.174 0.000 1.076 361 W CA 0.294 57.397 57.345 -0.402 0.000 1.576 361 W CB 0.248 29.544 29.460 -0.273 0.000 1.030 361 W HN -0.098 nan 8.180 nan 0.000 0.558 362 S N 0.907 116.496 115.700 -0.186 0.000 2.423 362 S HA -0.203 4.271 4.470 0.005 0.000 0.231 362 S C 1.487 175.978 174.600 -0.181 0.000 1.014 362 S CA 1.968 60.024 58.200 -0.240 0.000 0.965 362 S CB -0.162 62.964 63.200 -0.124 0.000 0.785 362 S HN 0.593 nan 8.310 nan 0.000 0.495 363 E N -1.619 118.497 120.200 -0.140 0.000 2.541 363 E HA 0.224 4.577 4.350 0.005 0.000 0.219 363 E C 1.446 177.999 176.600 -0.078 0.000 0.922 363 E CA -0.274 56.068 56.400 -0.096 0.000 1.095 363 E CB -0.304 29.351 29.700 -0.076 0.000 1.112 363 E HN 0.233 nan 8.360 nan 0.000 0.516 364 Q N 1.141 120.861 119.800 -0.134 0.000 2.482 364 Q HA 0.043 4.387 4.340 0.005 0.000 0.209 364 Q C 1.738 177.884 176.000 0.243 0.000 0.961 364 Q CA 1.161 56.899 55.803 -0.108 0.000 0.945 364 Q CB 0.511 28.834 28.738 -0.691 0.000 1.012 364 Q HN 0.436 nan 8.270 nan 0.000 0.515 365 S N -2.391 113.392 115.700 0.139 0.000 2.483 365 S HA 0.268 4.741 4.470 0.005 0.000 0.221 365 S C 1.330 175.982 174.600 0.085 0.000 1.030 365 S CA 0.469 58.773 58.200 0.174 0.000 0.925 365 S CB 0.647 63.851 63.200 0.007 0.000 0.795 365 S HN 0.306 nan 8.310 nan 0.000 0.511 366 G N 0.761 109.581 108.800 0.034 0.000 2.151 366 G HA2 -0.153 3.810 3.960 0.005 0.000 0.156 366 G HA3 -0.153 3.810 3.960 0.005 0.000 0.156 366 G C 0.112 175.005 174.900 -0.011 0.000 1.017 366 G CA -0.168 44.942 45.100 0.017 0.000 0.686 366 G HN 0.439 nan 8.290 nan 0.000 0.503 367 Q N -2.306 117.466 119.800 -0.048 0.000 2.501 367 Q HA -0.182 4.161 4.340 0.005 0.000 0.275 367 Q C 1.057 177.018 176.000 -0.065 0.000 1.074 367 Q CA 1.087 56.847 55.803 -0.071 0.000 0.974 367 Q CB -1.532 27.177 28.738 -0.048 0.000 1.307 367 Q HN 0.646 nan 8.270 nan 0.000 0.513 368 N N -1.253 117.403 118.700 -0.073 0.000 2.392 368 N HA 0.127 4.870 4.740 0.005 0.000 0.177 368 N C -0.499 174.968 175.510 -0.072 0.000 1.066 368 N CA 0.540 53.571 53.050 -0.032 0.000 0.895 368 N CB 1.069 39.569 38.487 0.021 0.000 0.988 368 N HN 0.026 nan 8.380 nan 0.000 0.457 369 V N 1.387 121.164 119.914 -0.229 0.000 2.357 369 V HA 0.329 4.452 4.120 0.005 0.000 0.281 369 V C -0.327 175.550 176.094 -0.362 0.000 1.015 369 V CA -0.540 61.544 62.300 -0.361 0.000 0.827 369 V CB 1.148 32.429 31.823 -0.904 0.000 1.018 369 V HN 0.098 nan 8.190 nan 0.000 0.432 370 T N 2.495 116.952 114.554 -0.163 0.000 2.922 370 T HA 0.553 4.906 4.350 0.005 0.000 0.281 370 T C -0.003 174.681 174.700 -0.027 0.000 1.005 370 T CA -0.553 61.485 62.100 -0.103 0.000 0.982 370 T CB 1.493 70.328 68.868 -0.056 0.000 1.158 370 T HN 0.618 nan 8.240 nan 0.000 0.566 371 c N 0.845 119.447 118.600 0.003 0.000 2.358 371 c HA 0.903 5.476 4.570 0.005 0.000 0.354 371 c C 0.473 174.584 174.090 0.035 0.000 1.183 371 c CA -0.981 55.380 56.329 0.054 0.000 2.150 371 c CB 0.233 42.786 42.510 0.072 0.000 2.361 371 c HN 1.021 nan 8.230 nan 0.000 0.535 372 A N 1.119 123.963 122.820 0.039 0.000 2.545 372 A HA 0.617 4.940 4.320 0.005 0.000 0.300 372 A C -0.200 177.388 177.584 0.007 0.000 1.252 372 A CA -0.089 51.952 52.037 0.007 0.000 0.753 372 A CB 0.149 19.140 19.000 -0.015 0.000 1.144 372 A HN 0.847 nan 8.150 nan 0.000 0.457 373 T N 2.534 117.091 114.554 0.005 0.000 3.145 373 T HA 0.540 4.893 4.350 0.005 0.000 0.362 373 T C 0.668 175.357 174.700 -0.018 0.000 1.340 373 T CA 0.356 62.458 62.100 0.004 0.000 1.069 373 T CB 0.501 69.379 68.868 0.017 0.000 1.129 373 T HN 0.902 nan 8.240 nan 0.000 0.585 374 A N 1.639 124.438 122.820 -0.035 0.000 2.257 374 A HA 0.729 5.052 4.320 0.005 0.000 0.290 374 A C 1.135 178.686 177.584 -0.055 0.000 1.201 374 A CA -0.603 51.404 52.037 -0.051 0.000 0.863 374 A CB 0.539 19.497 19.000 -0.070 0.000 1.256 374 A HN 0.513 nan 8.150 nan 0.000 0.506 375 S N -1.405 114.253 115.700 -0.070 0.000 2.730 375 S HA 0.258 4.731 4.470 0.005 0.000 0.244 375 S C 0.417 174.950 174.600 -0.111 0.000 1.022 375 S CA 0.362 58.515 58.200 -0.079 0.000 1.014 375 S CB -0.274 62.885 63.200 -0.068 0.000 0.963 375 S HN 1.138 nan 8.310 nan 0.000 0.540 376 T N -2.336 112.145 114.554 -0.123 0.000 2.633 376 T HA 0.516 4.869 4.350 0.005 0.000 0.262 376 T C 0.245 174.833 174.700 -0.187 0.000 0.920 376 T CA -0.261 61.745 62.100 -0.156 0.000 1.062 376 T CB 1.414 70.199 68.868 -0.138 0.000 1.390 376 T HN -0.168 nan 8.240 nan 0.000 0.549 377 T N -0.449 113.945 114.554 -0.267 0.000 3.253 377 T HA 0.290 4.643 4.350 0.005 0.000 0.299 377 T C 0.031 174.500 174.700 -0.384 0.000 0.927 377 T CA -0.202 61.682 62.100 -0.361 0.000 0.926 377 T CB 0.137 68.693 68.868 -0.520 0.000 1.183 377 T HN 0.560 nan 8.240 nan 0.000 0.557 378 D N 1.041 121.280 120.400 -0.268 0.000 2.392 378 D HA 0.112 4.755 4.640 0.005 0.000 0.206 378 D C 1.610 177.829 176.300 -0.134 0.000 1.046 378 D CA 0.362 54.253 54.000 -0.181 0.000 0.865 378 D CB 0.334 41.063 40.800 -0.118 0.000 0.969 378 D HN 0.057 nan 8.370 nan 0.000 0.509 379 D N -0.845 119.475 120.400 -0.134 0.000 2.149 379 D HA -0.045 4.598 4.640 0.005 0.000 0.206 379 D C 1.735 177.972 176.300 -0.105 0.000 0.967 379 D CA 0.482 54.420 54.000 -0.103 0.000 0.848 379 D CB -0.089 40.655 40.800 -0.093 0.000 0.998 379 D HN 0.120 nan 8.370 nan 0.000 0.474 380 c N 0.265 118.789 118.600 -0.128 0.000 2.432 380 c HA 0.015 4.588 4.570 0.005 0.000 0.280 380 c C 2.523 176.535 174.090 -0.130 0.000 1.353 380 c CA 0.161 56.415 56.329 -0.125 0.000 1.766 380 c CB -0.977 41.451 42.510 -0.137 0.000 1.924 380 c HN 0.318 nan 8.230 nan 0.000 0.509 381 I N 0.717 121.203 120.570 -0.140 0.000 2.928 381 I HA 0.011 4.184 4.170 0.005 0.000 0.266 381 I C 2.479 178.544 176.117 -0.088 0.000 1.234 381 I CA 1.115 62.345 61.300 -0.116 0.000 1.483 381 I CB -0.457 37.481 38.000 -0.104 0.000 1.097 381 I HN 0.199 nan 8.210 nan 0.000 0.455 382 A N 1.388 124.157 122.820 -0.085 0.000 1.898 382 A HA 0.026 4.350 4.320 0.005 0.000 0.214 382 A C 2.247 179.796 177.584 -0.058 0.000 1.183 382 A CA 0.948 52.946 52.037 -0.066 0.000 0.622 382 A CB -0.634 18.327 19.000 -0.066 0.000 0.824 382 A HN 0.372 nan 8.150 nan 0.000 0.444 383 L N 0.175 121.359 121.223 -0.065 0.000 2.362 383 L HA -0.113 4.230 4.340 0.005 0.000 0.219 383 L C 2.209 179.046 176.870 -0.056 0.000 1.134 383 L CA 0.589 55.396 54.840 -0.055 0.000 0.807 383 L CB -0.530 41.495 42.059 -0.056 0.000 0.927 383 L HN 0.239 nan 8.230 nan 0.000 0.447 384 V N 0.006 119.878 119.914 -0.070 0.000 2.626 384 V HA -0.242 3.881 4.120 0.005 0.000 0.252 384 V C 2.331 178.397 176.094 -0.046 0.000 1.067 384 V CA 1.264 63.522 62.300 -0.070 0.000 1.081 384 V CB -0.345 31.427 31.823 -0.085 0.000 0.686 384 V HN 0.348 nan 8.190 nan 0.000 0.468 385 L N -0.388 120.811 121.223 -0.040 0.000 2.007 385 L HA -0.083 4.260 4.340 0.005 0.000 0.205 385 L C 1.924 178.784 176.870 -0.018 0.000 1.073 385 L CA 1.457 56.281 54.840 -0.026 0.000 0.744 385 L CB -0.555 41.490 42.059 -0.024 0.000 0.898 385 L HN 0.120 nan 8.230 nan 0.000 0.435 386 K N 1.105 121.496 120.400 -0.015 0.000 2.914 386 K HA 0.054 4.377 4.320 0.005 0.000 0.246 386 K C 0.832 177.429 176.600 -0.005 0.000 0.949 386 K CA 0.488 56.772 56.287 -0.005 0.000 1.136 386 K CB -0.758 31.742 32.500 0.000 0.000 0.976 386 K HN 0.440 nan 8.250 nan 0.000 0.473 387 G N 1.539 110.331 108.800 -0.012 0.000 2.341 387 G HA2 -0.300 3.663 3.960 0.005 0.000 0.292 387 G HA3 -0.300 3.663 3.960 0.005 0.000 0.292 387 G C 0.345 175.240 174.900 -0.007 0.000 1.021 387 G CA 0.634 45.726 45.100 -0.013 0.000 0.905 387 G HN 0.591 nan 8.290 nan 0.000 0.508 388 E N -1.139 119.055 120.200 -0.011 0.000 2.541 388 E HA 0.506 4.859 4.350 0.005 0.000 0.219 388 E C 0.793 177.383 176.600 -0.016 0.000 0.922 388 E CA 0.578 56.972 56.400 -0.010 0.000 1.095 388 E CB 0.730 30.423 29.700 -0.011 0.000 1.112 388 E HN 0.924 nan 8.360 nan 0.000 0.516 389 A N 0.512 123.317 122.820 -0.025 0.000 2.513 389 A HA 0.286 4.609 4.320 0.005 0.000 0.296 389 A C -0.806 176.753 177.584 -0.041 0.000 1.052 389 A CA -0.641 51.373 52.037 -0.037 0.000 0.714 389 A CB 1.331 20.288 19.000 -0.072 0.000 1.279 389 A HN -0.091 nan 8.150 nan 0.000 0.397 390 D N 0.973 121.361 120.400 -0.021 0.000 2.081 390 D HA 0.256 4.899 4.640 0.005 0.000 0.194 390 D C 1.298 177.550 176.300 -0.079 0.000 0.986 390 D CA 2.970 56.966 54.000 -0.006 0.000 0.837 390 D CB 0.163 41.000 40.800 0.061 0.000 0.985 390 D HN 0.961 nan 8.370 nan 0.000 0.448 391 A N -1.611 121.093 122.820 -0.193 0.000 3.613 391 A HA 0.808 5.131 4.320 0.005 0.000 0.276 391 A C -1.647 175.586 177.584 -0.584 0.000 1.115 391 A CA -0.330 51.520 52.037 -0.312 0.000 0.652 391 A CB 0.859 19.694 19.000 -0.275 0.000 1.498 391 A HN 0.394 nan 8.150 nan 0.000 0.710 392 L N -3.393 117.415 121.223 -0.692 0.000 3.150 392 L HA 0.496 4.839 4.340 0.005 0.000 0.231 392 L C -1.382 175.289 176.870 -0.331 0.000 0.994 392 L CA -0.678 53.662 54.840 -0.834 0.000 1.050 392 L CB 1.060 42.771 42.059 -0.581 0.000 1.506 392 L HN 0.481 nan 8.230 nan 0.000 0.420 393 S N 2.839 118.461 115.700 -0.129 0.000 2.494 393 S HA 0.587 5.061 4.470 0.005 0.000 0.312 393 S C -0.091 174.584 174.600 0.124 0.000 1.121 393 S CA -0.428 57.835 58.200 0.106 0.000 1.068 393 S CB -0.531 62.788 63.200 0.200 0.000 1.141 393 S HN 0.371 nan 8.310 nan 0.000 0.527 394 L N 2.570 123.895 121.223 0.169 0.000 2.360 394 L HA 0.550 4.893 4.340 0.005 0.000 0.271 394 L C 0.382 177.467 176.870 0.360 0.000 1.057 394 L CA -0.796 54.194 54.840 0.249 0.000 0.803 394 L CB 0.780 42.978 42.059 0.232 0.000 1.207 394 L HN 0.393 nan 8.230 nan 0.000 0.445 395 D N 1.139 121.764 120.400 0.375 0.000 2.381 395 D HA 0.241 4.884 4.640 0.005 0.000 0.235 395 D C 0.962 177.470 176.300 0.346 0.000 1.068 395 D CA 0.249 54.492 54.000 0.405 0.000 0.832 395 D CB 1.863 42.745 40.800 0.138 0.000 1.101 395 D HN 0.678 nan 8.370 nan 0.000 0.515 396 G N 4.409 113.437 108.800 0.381 0.000 3.234 396 G HA2 -0.494 3.469 3.960 0.005 0.000 0.328 396 G HA3 -0.494 3.469 3.960 0.005 0.000 0.328 396 G C 1.336 176.461 174.900 0.374 0.000 1.548 396 G CA 1.659 46.994 45.100 0.391 0.000 1.655 396 G HN 0.742 nan 8.290 nan 0.000 1.022 397 G N -0.559 108.402 108.800 0.268 0.000 2.574 397 G HA2 -0.274 3.690 3.960 0.005 0.000 0.220 397 G HA3 -0.274 3.690 3.960 0.005 0.000 0.220 397 G C 1.602 176.640 174.900 0.230 0.000 1.173 397 G CA 1.779 46.975 45.100 0.162 0.000 0.772 397 G HN 0.627 nan 8.290 nan 0.000 0.585 398 Y N 0.867 121.279 120.300 0.186 0.000 2.574 398 Y HA 0.109 4.662 4.550 0.005 0.000 0.294 398 Y C 2.580 178.572 175.900 0.154 0.000 1.142 398 Y CA -0.193 57.986 58.100 0.131 0.000 1.314 398 Y CB -0.277 38.235 38.460 0.087 0.000 0.991 398 Y HN 0.257 nan 8.280 nan 0.000 0.555 399 I N -2.197 118.598 120.570 0.375 0.000 3.578 399 I HA -0.169 4.004 4.170 0.005 0.000 0.295 399 I C 1.604 177.910 176.117 0.316 0.000 1.280 399 I CA 0.753 62.256 61.300 0.339 0.000 1.347 399 I CB -0.285 37.962 38.000 0.412 0.000 1.051 399 I HN 0.116 nan 8.210 nan 0.000 0.460 400 Y N 1.518 121.909 120.300 0.150 0.000 2.481 400 Y HA 0.022 4.575 4.550 0.005 0.000 0.258 400 Y C 2.011 177.851 175.900 -0.100 0.000 1.103 400 Y CA 0.489 58.574 58.100 -0.025 0.000 1.287 400 Y CB 0.401 38.904 38.460 0.071 0.000 1.108 400 Y HN 0.034 nan 8.280 nan 0.000 0.529 401 T N -1.032 113.602 114.554 0.134 0.000 3.086 401 T HA 0.373 4.726 4.350 0.005 0.000 0.250 401 T C 0.923 175.598 174.700 -0.042 0.000 1.074 401 T CA 0.515 62.645 62.100 0.051 0.000 0.988 401 T CB 0.423 69.391 68.868 0.167 0.000 0.988 401 T HN 0.264 nan 8.240 nan 0.000 0.530 402 A N 0.553 123.347 122.820 -0.042 0.000 2.806 402 A HA 0.754 5.077 4.320 0.005 0.000 0.266 402 A C 1.234 178.773 177.584 -0.076 0.000 0.926 402 A CA -0.130 51.880 52.037 -0.045 0.000 1.068 402 A CB 0.003 19.015 19.000 0.021 0.000 1.189 402 A HN 0.419 nan 8.150 nan 0.000 0.481 403 G N -0.876 107.744 108.800 -0.299 0.000 2.801 403 G HA2 0.152 4.115 3.960 0.005 0.000 0.191 403 G HA3 0.152 4.115 3.960 0.005 0.000 0.191 403 G C 1.000 175.425 174.900 -0.792 0.000 1.223 403 G CA 0.024 44.791 45.100 -0.555 0.000 0.904 403 G HN 0.157 nan 8.290 nan 0.000 0.789 404 K N -0.006 120.013 120.400 -0.634 0.000 2.354 404 K HA 0.197 4.521 4.320 0.005 0.000 0.194 404 K C 1.408 177.874 176.600 -0.224 0.000 1.045 404 K CA 0.110 56.128 56.287 -0.450 0.000 1.026 404 K CB 0.343 32.563 32.500 -0.466 0.000 0.866 404 K HN 0.247 nan 8.250 nan 0.000 0.530 405 c N 0.701 119.188 118.600 -0.189 0.000 2.576 405 c HA 0.158 4.731 4.570 0.005 0.000 0.267 405 c C 1.591 175.642 174.090 -0.066 0.000 1.364 405 c CA 0.667 56.936 56.329 -0.100 0.000 1.723 405 c CB -0.965 41.495 42.510 -0.082 0.000 1.778 405 c HN 0.755 nan 8.230 nan 0.000 0.572 406 G N 0.239 108.999 108.800 -0.067 0.000 2.194 406 G HA2 -0.188 3.775 3.960 0.005 0.000 0.236 406 G HA3 -0.188 3.775 3.960 0.005 0.000 0.236 406 G C 0.087 174.988 174.900 0.001 0.000 0.987 406 G CA -0.312 44.774 45.100 -0.024 0.000 0.635 406 G HN 0.464 nan 8.290 nan 0.000 0.520 407 L N 1.611 122.833 121.223 -0.002 0.000 2.418 407 L HA 0.522 4.865 4.340 0.005 0.000 0.274 407 L C 0.799 177.712 176.870 0.072 0.000 1.135 407 L CA -0.268 54.586 54.840 0.023 0.000 0.870 407 L CB 1.154 43.219 42.059 0.010 0.000 1.154 407 L HN 0.303 nan 8.230 nan 0.000 0.462 408 V N 3.892 123.840 119.914 0.058 0.000 2.350 408 V HA 0.460 4.583 4.120 0.005 0.000 0.285 408 V C -2.243 173.864 176.094 0.021 0.000 1.014 408 V CA -2.161 60.179 62.300 0.068 0.000 0.831 408 V CB 1.307 33.165 31.823 0.058 0.000 1.000 408 V HN 0.577 nan 8.190 nan 0.000 0.433 409 P HA -0.100 nan 4.420 nan 0.000 0.258 409 P C 0.603 177.811 177.300 -0.153 0.000 1.128 409 P CA 0.855 63.863 63.100 -0.153 0.000 0.760 409 P CB 0.458 31.934 31.700 -0.372 0.000 0.715 410 V N 3.390 123.233 119.914 -0.119 0.000 3.263 410 V HA 0.240 4.363 4.120 0.005 0.000 0.208 410 V C 0.973 177.028 176.094 -0.066 0.000 1.184 410 V CA 0.373 62.640 62.300 -0.054 0.000 1.341 410 V CB -0.554 31.278 31.823 0.015 0.000 1.238 410 V HN 0.314 nan 8.190 nan 0.000 0.504 411 M N 0.276 119.879 119.600 0.006 0.000 2.578 411 M HA 0.719 5.202 4.480 0.005 0.000 0.321 411 M C -0.721 175.622 176.300 0.073 0.000 1.182 411 M CA -0.485 54.843 55.300 0.047 0.000 0.965 411 M CB 2.016 34.690 32.600 0.124 0.000 1.694 411 M HN 0.482 nan 8.290 nan 0.000 0.461 412 A N 1.178 124.057 122.820 0.097 0.000 2.318 412 A HA 0.406 4.730 4.320 0.005 0.000 0.324 412 A C -0.288 177.413 177.584 0.195 0.000 1.170 412 A CA -0.648 51.493 52.037 0.172 0.000 0.810 412 A CB 0.432 19.557 19.000 0.208 0.000 1.198 412 A HN 0.901 nan 8.150 nan 0.000 0.484 413 E N 1.973 122.317 120.200 0.240 0.000 3.187 413 E HA -0.070 4.284 4.350 0.005 0.000 0.297 413 E C -0.076 176.622 176.600 0.165 0.000 1.515 413 E CA -0.072 56.488 56.400 0.266 0.000 1.641 413 E CB -0.537 29.388 29.700 0.374 0.000 1.314 413 E HN 0.692 nan 8.360 nan 0.000 0.462 414 N N 2.479 121.249 118.700 0.116 0.000 2.374 414 N HA -0.086 4.657 4.740 0.005 0.000 0.269 414 N C 0.572 176.113 175.510 0.051 0.000 1.310 414 N CA -0.108 52.977 53.050 0.058 0.000 0.877 414 N CB 0.493 39.004 38.487 0.039 0.000 1.096 414 N HN 0.297 nan 8.380 nan 0.000 0.484 415 R N 2.950 123.475 120.500 0.041 0.000 2.697 415 R HA 0.218 4.561 4.340 0.005 0.000 0.262 415 R C -0.270 176.017 176.300 -0.021 0.000 1.255 415 R CA -0.584 55.533 56.100 0.030 0.000 1.136 415 R CB 0.262 30.594 30.300 0.053 0.000 1.169 415 R HN 0.304 nan 8.270 nan 0.000 0.594 416 K N 0.712 121.086 120.400 -0.042 0.000 2.237 416 K HA 0.208 4.531 4.320 0.005 0.000 0.270 416 K C -0.261 176.308 176.600 -0.052 0.000 1.015 416 K CA -0.403 55.847 56.287 -0.060 0.000 0.949 416 K CB 1.328 33.783 32.500 -0.075 0.000 0.976 416 K HN 0.826 nan 8.250 nan 0.000 0.472 417 S N -0.815 114.856 115.700 -0.049 0.000 2.671 417 S HA 0.353 4.826 4.470 0.005 0.000 0.277 417 S C 0.495 175.069 174.600 -0.043 0.000 1.165 417 S CA -0.154 58.017 58.200 -0.048 0.000 0.822 417 S CB 1.414 64.593 63.200 -0.034 0.000 1.150 417 S HN 0.622 nan 8.310 nan 0.000 0.479 418 S N 0.084 115.756 115.700 -0.047 0.000 2.641 418 S HA 0.334 4.808 4.470 0.005 0.000 0.239 418 S C 0.569 175.153 174.600 -0.027 0.000 1.081 418 S CA -0.238 57.936 58.200 -0.042 0.000 0.904 418 S CB -0.481 62.682 63.200 -0.062 0.000 0.803 418 S HN 0.756 nan 8.310 nan 0.000 0.510 419 K N 1.299 121.681 120.400 -0.030 0.000 2.326 419 K HA 0.058 4.381 4.320 0.005 0.000 0.275 419 K C -0.563 176.065 176.600 0.048 0.000 1.018 419 K CA 0.197 56.463 56.287 -0.036 0.000 0.962 419 K CB -0.128 32.336 32.500 -0.060 0.000 0.953 419 K HN 0.585 nan 8.250 nan 0.000 0.475 420 H N 0.468 119.518 119.070 -0.032 0.000 2.791 420 H HA -0.191 4.368 4.556 0.005 0.000 0.302 420 H C 1.216 176.525 175.328 -0.030 0.000 1.198 420 H CA 0.499 56.530 56.048 -0.027 0.000 1.145 420 H CB -0.844 28.903 29.762 -0.025 0.000 1.385 420 H HN 0.778 nan 8.280 nan 0.000 0.409 421 S N -1.372 114.376 115.700 0.080 0.000 2.383 421 S HA -0.275 4.198 4.470 0.005 0.000 0.229 421 S C 2.383 177.002 174.600 0.032 0.000 1.030 421 S CA 1.235 59.452 58.200 0.029 0.000 1.002 421 S CB -0.407 62.794 63.200 0.002 0.000 0.829 421 S HN 0.658 nan 8.310 nan 0.000 0.467 422 S N 3.556 119.292 115.700 0.060 0.000 2.444 422 S HA -0.270 4.203 4.470 0.005 0.000 0.274 422 S C 1.276 175.885 174.600 0.014 0.000 1.130 422 S CA 1.752 59.984 58.200 0.054 0.000 1.243 422 S CB -1.500 61.775 63.200 0.125 0.000 1.166 422 S HN 0.510 nan 8.310 nan 0.000 0.439 423 L N 1.946 123.162 121.223 -0.012 0.000 2.361 423 L HA 0.345 4.688 4.340 0.005 0.000 0.161 423 L C 0.751 177.598 176.870 -0.038 0.000 0.893 423 L CA 0.763 55.574 54.840 -0.047 0.000 1.513 423 L CB -0.356 41.640 42.059 -0.105 0.000 1.826 423 L HN 0.398 nan 8.230 nan 0.000 0.453 424 D N -2.507 117.865 120.400 -0.047 0.000 2.457 424 D HA 0.162 4.805 4.640 0.005 0.000 0.240 424 D C 0.451 176.725 176.300 -0.044 0.000 1.041 424 D CA -0.655 53.321 54.000 -0.040 0.000 0.861 424 D CB 1.770 42.550 40.800 -0.033 0.000 1.394 424 D HN 0.492 nan 8.370 nan 0.000 0.473 425 c N 2.673 121.246 118.600 -0.045 0.000 2.401 425 c HA -0.130 4.443 4.570 0.005 0.000 0.276 425 c C 2.408 176.481 174.090 -0.029 0.000 1.233 425 c CA 1.548 57.849 56.329 -0.045 0.000 1.753 425 c CB -1.037 41.434 42.510 -0.065 0.000 2.029 425 c HN 0.548 nan 8.230 nan 0.000 0.478 426 V N 1.052 120.954 119.914 -0.021 0.000 2.216 426 V HA -0.194 3.929 4.120 0.005 0.000 0.243 426 V C 2.290 178.377 176.094 -0.011 0.000 1.044 426 V CA 2.091 64.390 62.300 -0.002 0.000 0.995 426 V CB -1.246 30.580 31.823 0.006 0.000 0.633 426 V HN 0.545 nan 8.190 nan 0.000 0.446 427 L N 0.539 121.749 121.223 -0.023 0.000 2.721 427 L HA -0.030 4.313 4.340 0.005 0.000 0.241 427 L C 1.389 178.220 176.870 -0.065 0.000 1.168 427 L CA 0.593 55.411 54.840 -0.037 0.000 0.866 427 L CB -0.505 41.531 42.059 -0.039 0.000 0.996 427 L HN 0.315 nan 8.230 nan 0.000 0.451 428 R N 0.980 121.446 120.500 -0.058 0.000 2.295 428 R HA 0.357 4.700 4.340 0.005 0.000 0.324 428 R C -2.626 173.645 176.300 -0.048 0.000 0.968 428 R CA -1.752 54.299 56.100 -0.082 0.000 0.837 428 R CB 1.362 31.625 30.300 -0.062 0.000 1.133 428 R HN -0.173 nan 8.270 nan 0.000 0.450 429 P HA 0.055 nan 4.420 nan 0.000 0.276 429 P C -0.763 176.542 177.300 0.008 0.000 1.244 429 P CA -0.338 62.754 63.100 -0.012 0.000 0.801 429 P CB 0.931 32.619 31.700 -0.019 0.000 1.006 430 T N -0.541 114.029 114.554 0.026 0.000 2.640 430 T HA -0.046 4.307 4.350 0.005 0.000 0.252 430 T C 0.085 174.778 174.700 -0.013 0.000 1.038 430 T CA -0.134 61.972 62.100 0.009 0.000 1.307 430 T CB -0.918 67.959 68.868 0.015 0.000 1.014 430 T HN 0.397 nan 8.240 nan 0.000 0.523 431 E N 3.505 123.694 120.200 -0.018 0.000 2.079 431 E HA 0.405 4.758 4.350 0.005 0.000 0.252 431 E C 0.981 177.545 176.600 -0.059 0.000 0.992 431 E CA -0.992 55.392 56.400 -0.026 0.000 0.829 431 E CB 0.497 30.192 29.700 -0.008 0.000 1.158 431 E HN 0.737 nan 8.360 nan 0.000 0.435 432 G N 2.049 110.791 108.800 -0.097 0.000 2.527 432 G HA2 0.081 4.044 3.960 0.005 0.000 0.279 432 G HA3 0.081 4.044 3.960 0.005 0.000 0.279 432 G C -0.314 174.541 174.900 -0.075 0.000 1.374 432 G CA -0.390 44.615 45.100 -0.160 0.000 1.053 432 G HN 0.537 nan 8.290 nan 0.000 0.539 433 Y N -1.765 118.474 120.300 -0.101 0.000 2.352 433 Y HA 0.664 5.217 4.550 0.005 0.000 0.326 433 Y C -0.265 175.582 175.900 -0.088 0.000 1.166 433 Y CA -2.297 55.731 58.100 -0.121 0.000 1.182 433 Y CB 0.842 39.216 38.460 -0.144 0.000 1.216 433 Y HN 0.234 nan 8.280 nan 0.000 0.474 434 L N 4.309 125.607 121.223 0.125 0.000 2.287 434 L HA 0.638 4.981 4.340 0.005 0.000 0.280 434 L C 0.541 177.501 176.870 0.150 0.000 1.055 434 L CA -1.073 53.851 54.840 0.140 0.000 0.863 434 L CB 0.428 42.356 42.059 -0.219 0.000 1.245 434 L HN 0.951 nan 8.230 nan 0.000 0.432 435 A N 3.656 126.602 122.820 0.211 0.000 2.613 435 A HA 0.388 4.711 4.320 0.005 0.000 0.230 435 A C 0.258 177.935 177.584 0.155 0.000 1.051 435 A CA 0.244 52.359 52.037 0.130 0.000 0.754 435 A CB 0.131 19.238 19.000 0.177 0.000 0.979 435 A HN 0.639 nan 8.150 nan 0.000 0.510 436 V N -2.400 117.571 119.914 0.095 0.000 3.232 436 V HA 0.854 4.977 4.120 0.005 0.000 0.303 436 V C -0.226 175.835 176.094 -0.055 0.000 1.311 436 V CA -0.506 61.841 62.300 0.077 0.000 1.061 436 V CB 1.478 33.310 31.823 0.015 0.000 1.085 436 V HN 1.961 nan 8.190 nan 0.000 0.447 437 A N 1.197 123.916 122.820 -0.169 0.000 2.545 437 A HA 0.816 5.139 4.320 0.005 0.000 0.300 437 A C -0.656 176.707 177.584 -0.368 0.000 1.252 437 A CA -0.501 51.149 52.037 -0.644 0.000 0.753 437 A CB 0.752 19.334 19.000 -0.695 0.000 1.144 437 A HN 1.146 nan 8.150 nan 0.000 0.457 438 V N 2.220 121.943 119.914 -0.318 0.000 2.743 438 V HA 0.695 4.818 4.120 0.005 0.000 0.301 438 V C 0.588 176.631 176.094 -0.086 0.000 1.057 438 V CA -0.133 62.084 62.300 -0.138 0.000 1.006 438 V CB 1.253 32.995 31.823 -0.134 0.000 1.024 438 V HN 1.080 nan 8.190 nan 0.000 0.473 439 V N 0.637 120.594 119.914 0.071 0.000 3.181 439 V HA 0.675 4.798 4.120 0.005 0.000 0.307 439 V C -0.904 175.347 176.094 0.263 0.000 1.310 439 V CA -1.371 61.001 62.300 0.120 0.000 1.067 439 V CB 2.024 33.871 31.823 0.040 0.000 1.081 439 V HN 0.746 nan 8.190 nan 0.000 0.453 440 K N 0.344 120.820 120.400 0.127 0.000 2.118 440 K HA 0.430 4.753 4.320 0.005 0.000 0.267 440 K C 0.468 177.032 176.600 -0.061 0.000 0.991 440 K CA -0.521 55.723 56.287 -0.072 0.000 0.916 440 K CB 1.746 34.136 32.500 -0.184 0.000 1.041 440 K HN 0.788 nan 8.250 nan 0.000 0.455 441 K N 1.850 122.188 120.400 -0.103 0.000 2.515 441 K HA -0.104 4.219 4.320 0.005 0.000 0.196 441 K C 1.407 177.973 176.600 -0.058 0.000 1.038 441 K CA 1.024 57.277 56.287 -0.056 0.000 0.967 441 K CB -0.005 32.458 32.500 -0.061 0.000 0.780 441 K HN 0.707 nan 8.250 nan 0.000 0.483 442 A N 1.024 123.792 122.820 -0.086 0.000 1.969 442 A HA -0.080 4.243 4.320 0.005 0.000 0.218 442 A C 1.044 178.606 177.584 -0.035 0.000 1.169 442 A CA 0.799 52.795 52.037 -0.067 0.000 0.635 442 A CB -0.235 18.712 19.000 -0.088 0.000 0.810 442 A HN 0.295 nan 8.150 nan 0.000 0.445 443 N N 2.037 120.722 118.700 -0.024 0.000 2.739 443 N HA 0.071 4.814 4.740 0.005 0.000 0.266 443 N C -1.015 174.501 175.510 0.010 0.000 1.168 443 N CA 0.145 53.195 53.050 0.000 0.000 1.055 443 N CB 0.245 38.740 38.487 0.013 0.000 1.393 443 N HN 0.239 nan 8.380 nan 0.000 0.514 444 E N 0.733 120.937 120.200 0.007 0.000 2.079 444 E HA 0.349 4.702 4.350 0.005 0.000 0.252 444 E C 0.746 177.357 176.600 0.018 0.000 0.992 444 E CA -0.446 55.961 56.400 0.013 0.000 0.829 444 E CB 0.717 30.420 29.700 0.006 0.000 1.158 444 E HN 0.645 nan 8.360 nan 0.000 0.435 445 G N 1.673 110.490 108.800 0.027 0.000 4.569 445 G HA2 0.008 3.971 3.960 0.005 0.000 0.221 445 G HA3 0.008 3.971 3.960 0.005 0.000 0.221 445 G C -0.827 174.098 174.900 0.042 0.000 0.778 445 G CA -0.518 44.601 45.100 0.031 0.000 1.115 445 G HN 0.250 nan 8.290 nan 0.000 0.774 446 L N 2.314 123.566 121.223 0.048 0.000 2.470 446 L HA 0.869 5.212 4.340 0.005 0.000 0.268 446 L C -0.528 176.385 176.870 0.072 0.000 0.964 446 L CA 0.090 54.966 54.840 0.060 0.000 0.839 446 L CB 2.170 44.263 42.059 0.056 0.000 1.276 446 L HN 0.483 nan 8.230 nan 0.000 0.403 447 T N 0.163 114.776 114.554 0.100 0.000 3.097 447 T HA 0.156 4.510 4.350 0.005 0.000 0.332 447 T C 0.521 175.351 174.700 0.215 0.000 1.269 447 T CA -0.655 61.530 62.100 0.142 0.000 1.076 447 T CB 0.562 69.506 68.868 0.127 0.000 1.209 447 T HN 0.666 nan 8.240 nan 0.000 0.474 448 W N 2.864 124.227 121.300 0.103 0.000 2.200 448 W HA -0.368 4.295 4.660 0.005 0.000 0.328 448 W C 1.356 177.952 176.519 0.128 0.000 1.343 448 W CA 2.689 60.110 57.345 0.127 0.000 1.379 448 W CB -1.141 28.385 29.460 0.110 0.000 1.102 448 W HN 0.892 nan 8.180 nan 0.000 0.501 449 N N -0.247 118.697 118.700 0.406 0.000 2.060 449 N HA -0.174 4.569 4.740 0.005 0.000 0.195 449 N C 1.468 177.103 175.510 0.209 0.000 1.028 449 N CA 2.518 55.731 53.050 0.270 0.000 0.861 449 N CB -0.936 37.647 38.487 0.160 0.000 1.029 449 N HN -0.074 nan 8.380 nan 0.000 0.428 450 S N -0.014 115.781 115.700 0.157 0.000 2.677 450 S HA 0.242 4.715 4.470 0.005 0.000 0.246 450 S C 1.305 175.957 174.600 0.087 0.000 1.005 450 S CA -0.209 58.048 58.200 0.096 0.000 1.062 450 S CB 0.013 63.255 63.200 0.070 0.000 0.778 450 S HN 0.254 nan 8.310 nan 0.000 0.461 451 L N 0.745 122.050 121.223 0.136 0.000 2.418 451 L HA 0.177 4.520 4.340 0.005 0.000 0.218 451 L C 1.257 178.216 176.870 0.149 0.000 1.125 451 L CA 0.542 55.453 54.840 0.119 0.000 0.835 451 L CB 0.034 42.055 42.059 -0.064 0.000 0.953 451 L HN 0.223 nan 8.230 nan 0.000 0.454 452 K N 0.155 120.524 120.400 -0.052 0.000 2.412 452 K HA 0.181 4.504 4.320 0.005 0.000 0.284 452 K C 0.920 177.390 176.600 -0.216 0.000 1.046 452 K CA 0.866 56.828 56.287 -0.541 0.000 0.999 452 K CB 0.395 32.294 32.500 -1.001 0.000 0.941 452 K HN 0.225 nan 8.250 nan 0.000 0.474 453 G N 3.237 111.972 108.800 -0.108 0.000 2.213 453 G HA2 -0.206 3.757 3.960 0.005 0.000 0.236 453 G HA3 -0.206 3.757 3.960 0.005 0.000 0.236 453 G C -0.102 174.858 174.900 0.100 0.000 0.991 453 G CA -0.087 45.016 45.100 0.004 0.000 0.629 453 G HN 0.555 nan 8.290 nan 0.000 0.517 454 K N 0.669 121.157 120.400 0.146 0.000 2.127 454 K HA 0.559 4.882 4.320 0.005 0.000 0.240 454 K C 0.670 177.539 176.600 0.449 0.000 1.024 454 K CA -0.350 56.076 56.287 0.231 0.000 0.918 454 K CB 0.744 33.378 32.500 0.223 0.000 1.108 454 K HN 0.291 nan 8.250 nan 0.000 0.485 455 K N 0.435 121.026 120.400 0.319 0.000 2.117 455 K HA 0.204 4.527 4.320 0.005 0.000 0.240 455 K C 0.388 176.985 176.600 -0.004 0.000 1.031 455 K CA -0.364 56.052 56.287 0.216 0.000 0.909 455 K CB 0.887 33.424 32.500 0.061 0.000 1.097 455 K HN 0.758 nan 8.250 nan 0.000 0.492 456 S N -0.885 114.603 115.700 -0.353 0.000 2.697 456 S HA 0.717 5.191 4.470 0.005 0.000 0.289 456 S C -1.234 173.111 174.600 -0.425 0.000 1.149 456 S CA -0.812 56.928 58.200 -0.766 0.000 0.850 456 S CB 1.337 63.636 63.200 -1.500 0.000 1.151 456 S HN 0.604 nan 8.310 nan 0.000 0.491 457 c N 1.736 120.006 118.600 -0.551 0.000 2.871 457 c HA 0.665 5.238 4.570 0.005 0.000 0.378 457 c C -1.652 172.042 174.090 -0.661 0.000 1.052 457 c CA -0.565 55.528 56.329 -0.394 0.000 1.250 457 c CB 0.843 43.185 42.510 -0.280 0.000 1.689 457 c HN 0.970 nan 8.230 nan 0.000 0.506 458 H N 1.661 120.776 119.070 0.075 0.000 3.018 458 H HA 0.249 4.808 4.556 0.005 0.000 0.334 458 H C 0.922 176.326 175.328 0.126 0.000 0.983 458 H CA 0.427 56.557 56.048 0.138 0.000 1.363 458 H CB 2.120 31.979 29.762 0.160 0.000 1.668 458 H HN 0.853 nan 8.280 nan 0.000 0.513 459 T N 1.818 116.495 114.554 0.205 0.000 2.294 459 T HA -0.210 4.143 4.350 0.005 0.000 0.221 459 T C 0.965 175.748 174.700 0.139 0.000 1.526 459 T CA 1.488 63.634 62.100 0.076 0.000 1.180 459 T CB -0.231 68.639 68.868 0.004 0.000 0.859 459 T HN 0.596 nan 8.240 nan 0.000 0.400 460 A N -0.129 122.770 122.820 0.131 0.000 2.387 460 A HA 0.701 5.024 4.320 0.005 0.000 0.303 460 A C -0.449 177.143 177.584 0.013 0.000 1.145 460 A CA -0.698 51.501 52.037 0.270 0.000 0.801 460 A CB 2.125 21.347 19.000 0.370 0.000 1.342 460 A HN 0.617 nan 8.150 nan 0.000 0.440 461 V N 2.680 122.536 119.914 -0.097 0.000 2.258 461 V HA 0.388 4.511 4.120 0.005 0.000 0.258 461 V C 0.139 175.839 176.094 -0.657 0.000 1.121 461 V CA 1.188 63.221 62.300 -0.446 0.000 0.942 461 V CB -0.484 31.078 31.823 -0.435 0.000 1.170 461 V HN 1.130 nan 8.190 nan 0.000 0.487 462 D N 2.476 122.359 120.400 -0.861 0.000 4.347 462 D HA -0.124 4.519 4.640 0.005 0.000 0.201 462 D C 0.539 176.697 176.300 -0.235 0.000 0.399 462 D CA -0.312 53.274 54.000 -0.690 0.000 0.631 462 D CB -0.255 40.299 40.800 -0.409 0.000 1.620 462 D HN 0.384 nan 8.370 nan 0.000 0.080 463 R N 0.953 121.262 120.500 -0.318 0.000 3.151 463 R HA 0.365 4.708 4.340 0.005 0.000 0.283 463 R C 1.141 177.521 176.300 0.133 0.000 1.140 463 R CA 0.859 56.888 56.100 -0.119 0.000 1.162 463 R CB -0.360 29.832 30.300 -0.180 0.000 1.121 463 R HN 0.129 nan 8.270 nan 0.000 0.552 464 T N 0.935 115.615 114.554 0.210 0.000 2.793 464 T HA -0.107 4.246 4.350 0.005 0.000 0.228 464 T C 1.852 176.692 174.700 0.235 0.000 1.086 464 T CA 1.009 63.243 62.100 0.222 0.000 1.743 464 T CB -0.650 68.370 68.868 0.254 0.000 1.187 464 T HN 0.679 nan 8.240 nan 0.000 0.404 465 A N 1.064 124.037 122.820 0.255 0.000 2.032 465 A HA 0.069 4.392 4.320 0.005 0.000 0.221 465 A C 2.164 179.952 177.584 0.341 0.000 1.165 465 A CA 1.761 53.932 52.037 0.222 0.000 0.645 465 A CB -1.171 17.846 19.000 0.029 0.000 0.807 465 A HN 0.635 nan 8.150 nan 0.000 0.453 466 G N -3.835 105.190 108.800 0.375 0.000 3.371 466 G HA2 0.313 4.277 3.960 0.005 0.000 0.248 466 G HA3 0.313 4.277 3.960 0.005 0.000 0.248 466 G C 0.487 175.686 174.900 0.497 0.000 1.161 466 G CA 0.539 45.928 45.100 0.482 0.000 0.796 466 G HN 0.639 nan 8.290 nan 0.000 0.539 467 W N -0.926 120.385 121.300 0.018 0.000 5.307 467 W HA -0.083 4.581 4.660 0.005 0.000 0.157 467 W C 0.764 177.150 176.519 -0.222 0.000 3.263 467 W CA 0.195 57.391 57.345 -0.249 0.000 1.792 467 W CB -0.692 28.621 29.460 -0.246 0.000 1.117 467 W HN 0.100 nan 8.180 nan 0.000 1.023 468 N N 1.955 120.791 118.700 0.225 0.000 2.021 468 N HA -0.184 4.559 4.740 0.005 0.000 0.198 468 N C 1.493 176.981 175.510 -0.037 0.000 1.041 468 N CA 2.819 55.942 53.050 0.122 0.000 0.862 468 N CB -0.777 37.876 38.487 0.276 0.000 1.048 468 N HN 0.068 nan 8.380 nan 0.000 0.427 469 I N 0.543 121.129 120.570 0.026 0.000 2.493 469 I HA -0.090 4.083 4.170 0.005 0.000 0.254 469 I C -0.872 175.263 176.117 0.029 0.000 1.160 469 I CA 0.813 62.136 61.300 0.038 0.000 1.445 469 I CB -1.836 36.214 38.000 0.082 0.000 1.086 469 I HN 0.113 nan 8.210 nan 0.000 0.433 470 P HA 0.013 nan 4.420 nan 0.000 0.212 470 P C 1.815 178.859 177.300 -0.427 0.000 1.171 470 P CA 0.839 63.767 63.100 -0.287 0.000 0.892 470 P CB 0.039 31.363 31.700 -0.627 0.000 0.769 471 M N -0.990 118.123 119.600 -0.812 0.000 2.686 471 M HA 0.126 4.609 4.480 0.005 0.000 0.246 471 M C 1.399 177.386 176.300 -0.522 0.000 1.096 471 M CA 1.017 55.755 55.300 -0.937 0.000 1.076 471 M CB -1.561 29.685 32.600 -2.258 0.000 1.504 471 M HN -0.025 nan 8.290 nan 0.000 0.524 472 G N -1.134 107.454 108.800 -0.354 0.000 3.690 472 G HA2 0.392 4.355 3.960 0.005 0.000 0.283 472 G HA3 0.392 4.355 3.960 0.005 0.000 0.283 472 G C 1.076 175.948 174.900 -0.046 0.000 1.057 472 G CA -0.147 44.875 45.100 -0.130 0.000 0.821 472 G HN 0.396 nan 8.290 nan 0.000 0.526 473 L N -1.120 120.086 121.223 -0.030 0.000 3.066 473 L HA 0.452 4.795 4.340 0.005 0.000 0.272 473 L C 1.419 178.336 176.870 0.078 0.000 1.101 473 L CA 0.061 54.903 54.840 0.003 0.000 1.022 473 L CB 0.605 42.691 42.059 0.046 0.000 1.600 473 L HN 0.133 nan 8.230 nan 0.000 0.559 474 I N 0.265 120.886 120.570 0.085 0.000 3.749 474 I HA 0.096 4.269 4.170 0.005 0.000 0.314 474 I C 1.562 177.760 176.117 0.134 0.000 1.267 474 I CA 0.624 61.978 61.300 0.090 0.000 1.169 474 I CB 0.541 38.388 38.000 -0.255 0.000 1.009 474 I HN 0.208 nan 8.210 nan 0.000 0.444 475 A N -0.763 122.113 122.820 0.094 0.000 2.141 475 A HA 0.159 4.482 4.320 0.005 0.000 0.201 475 A C 1.786 179.402 177.584 0.053 0.000 1.344 475 A CA 0.087 52.177 52.037 0.089 0.000 0.971 475 A CB -0.136 18.941 19.000 0.127 0.000 1.035 475 A HN 0.281 nan 8.150 nan 0.000 0.480 476 N N 0.570 119.288 118.700 0.030 0.000 2.216 476 N HA -0.109 4.634 4.740 0.005 0.000 0.183 476 N C 1.933 177.443 175.510 -0.001 0.000 1.017 476 N CA 1.740 54.792 53.050 0.002 0.000 0.861 476 N CB -0.125 38.347 38.487 -0.026 0.000 0.986 476 N HN 0.665 nan 8.380 nan 0.000 0.428 477 Q N -0.487 119.319 119.800 0.010 0.000 1.984 477 Q HA 0.034 4.377 4.340 0.005 0.000 0.196 477 Q C 1.668 177.692 176.000 0.041 0.000 0.975 477 Q CA 1.267 57.080 55.803 0.016 0.000 0.827 477 Q CB -0.634 28.125 28.738 0.035 0.000 0.894 477 Q HN 0.166 nan 8.270 nan 0.000 0.438 478 T N -0.179 114.427 114.554 0.087 0.000 2.399 478 T HA -0.225 4.128 4.350 0.005 0.000 0.242 478 T C 1.478 176.195 174.700 0.029 0.000 1.348 478 T CA 2.388 64.535 62.100 0.078 0.000 1.200 478 T CB -0.817 68.136 68.868 0.142 0.000 0.862 478 T HN 0.733 nan 8.240 nan 0.000 0.404 479 G N -0.260 108.553 108.800 0.023 0.000 2.909 479 G HA2 -0.153 3.810 3.960 0.005 0.000 0.198 479 G HA3 -0.153 3.810 3.960 0.005 0.000 0.198 479 G C 0.516 175.406 174.900 -0.017 0.000 1.124 479 G CA 0.494 45.595 45.100 0.002 0.000 0.796 479 G HN 1.086 nan 8.290 nan 0.000 0.489 480 S N 0.802 116.485 115.700 -0.028 0.000 2.505 480 S HA 0.441 4.914 4.470 0.005 0.000 0.276 480 S C 1.713 176.227 174.600 -0.144 0.000 1.274 480 S CA 0.543 58.702 58.200 -0.068 0.000 1.053 480 S CB 0.755 63.919 63.200 -0.060 0.000 0.919 480 S HN 0.742 nan 8.310 nan 0.000 0.490 481 c N 4.264 122.734 118.600 -0.217 0.000 2.418 481 c HA 0.045 4.619 4.570 0.005 0.000 0.280 481 c C 2.121 175.640 174.090 -0.951 0.000 1.223 481 c CA 0.964 57.005 56.329 -0.481 0.000 1.736 481 c CB -1.864 40.457 42.510 -0.315 0.000 2.056 481 c HN 1.084 nan 8.230 nan 0.000 0.459 482 A N 0.882 123.383 122.820 -0.531 0.000 2.470 482 A HA -0.011 4.312 4.320 0.005 0.000 0.290 482 A C 0.654 178.055 177.584 -0.304 0.000 1.120 482 A CA 0.404 52.221 52.037 -0.368 0.000 1.013 482 A CB -0.773 18.149 19.000 -0.130 0.000 0.914 482 A HN 0.592 nan 8.150 nan 0.000 0.525 483 F N 1.495 121.493 119.950 0.079 0.000 2.216 483 F HA -0.175 4.356 4.527 0.005 0.000 0.300 483 F C 2.189 178.064 175.800 0.125 0.000 1.085 483 F CA 1.380 59.401 58.000 0.034 0.000 1.326 483 F CB -0.393 38.545 39.000 -0.103 0.000 1.027 483 F HN 0.674 nan 8.300 nan 0.000 0.497 484 D N 0.731 121.318 120.400 0.311 0.000 2.263 484 D HA -0.183 4.460 4.640 0.005 0.000 0.208 484 D C 1.378 177.814 176.300 0.227 0.000 0.971 484 D CA 1.227 55.387 54.000 0.267 0.000 0.867 484 D CB -0.576 40.351 40.800 0.212 0.000 0.929 484 D HN 0.423 nan 8.370 nan 0.000 0.492 485 E N -0.011 120.292 120.200 0.171 0.000 2.076 485 E HA -0.031 4.322 4.350 0.005 0.000 0.190 485 E C 1.879 178.563 176.600 0.141 0.000 0.979 485 E CA 0.206 56.678 56.400 0.120 0.000 0.807 485 E CB -0.410 29.319 29.700 0.047 0.000 0.761 485 E HN 0.256 nan 8.360 nan 0.000 0.454 486 F N 0.445 120.401 119.950 0.009 0.000 2.154 486 F HA -0.162 4.369 4.527 0.005 0.000 0.301 486 F C 0.249 175.918 175.800 -0.219 0.000 1.087 486 F CA 0.716 58.647 58.000 -0.115 0.000 1.274 486 F CB 0.258 39.168 39.000 -0.151 0.000 1.009 486 F HN -0.135 nan 8.300 nan 0.000 0.485 487 F N 0.007 120.166 119.950 0.348 0.000 2.443 487 F HA 0.204 4.734 4.527 0.006 0.000 0.335 487 F C 1.408 177.297 175.800 0.148 0.000 1.104 487 F CA -0.445 57.700 58.000 0.241 0.000 1.013 487 F CB 1.379 40.495 39.000 0.194 0.000 1.136 487 F HN -0.122 nan 8.300 nan 0.000 0.470 488 S N 2.223 118.132 115.700 0.349 0.000 2.389 488 S HA -0.205 4.268 4.470 0.005 0.000 0.229 488 S C 0.226 174.925 174.600 0.166 0.000 1.048 488 S CA 1.198 59.519 58.200 0.201 0.000 1.117 488 S CB -0.322 62.978 63.200 0.167 0.000 1.020 488 S HN 0.727 nan 8.310 nan 0.000 0.430 489 Q N -0.168 119.732 119.800 0.166 0.000 2.364 489 Q HA 0.531 4.874 4.340 0.005 0.000 0.251 489 Q C -1.692 174.362 176.000 0.091 0.000 0.927 489 Q CA -0.283 55.590 55.803 0.116 0.000 0.924 489 Q CB 2.457 31.242 28.738 0.079 0.000 1.419 489 Q HN 0.448 nan 8.270 nan 0.000 0.427 490 S N 0.332 116.085 115.700 0.088 0.000 2.751 490 S HA 0.637 5.110 4.470 0.005 0.000 0.310 490 S C -1.136 173.496 174.600 0.053 0.000 1.128 490 S CA -0.673 57.550 58.200 0.038 0.000 0.931 490 S CB 1.931 65.166 63.200 0.059 0.000 1.177 490 S HN 0.708 nan 8.310 nan 0.000 0.530 491 c N 1.879 120.504 118.600 0.042 0.000 2.322 491 c HA 0.830 5.404 4.570 0.005 0.000 0.324 491 c C -0.362 173.798 174.090 0.117 0.000 1.249 491 c CA -0.302 56.071 56.329 0.073 0.000 1.453 491 c CB -0.875 41.671 42.510 0.060 0.000 2.145 491 c HN 0.883 nan 8.230 nan 0.000 0.466 492 A N 7.498 130.389 122.820 0.118 0.000 2.586 492 A HA 0.654 4.977 4.320 0.005 0.000 0.320 492 A C -2.864 174.757 177.584 0.062 0.000 1.281 492 A CA -1.122 50.987 52.037 0.120 0.000 0.775 492 A CB 0.475 19.544 19.000 0.116 0.000 1.122 492 A HN 0.686 nan 8.150 nan 0.000 0.470 493 P HA 0.316 nan 4.420 nan 0.000 0.264 493 P C 1.023 178.286 177.300 -0.063 0.000 1.537 493 P CA 1.302 64.412 63.100 0.017 0.000 1.189 493 P CB 0.423 32.195 31.700 0.120 0.000 1.687 494 G N 1.434 110.188 108.800 -0.077 0.000 3.509 494 G HA2 0.135 4.098 3.960 0.005 0.000 0.220 494 G HA3 0.135 4.098 3.960 0.005 0.000 0.220 494 G C 0.203 175.051 174.900 -0.086 0.000 0.951 494 G CA 0.290 45.335 45.100 -0.091 0.000 0.844 494 G HN 0.651 nan 8.290 nan 0.000 0.568 495 A N 0.314 123.087 122.820 -0.079 0.000 2.452 495 A HA 0.688 5.012 4.320 0.005 0.000 0.285 495 A C -0.397 177.178 177.584 -0.014 0.000 1.209 495 A CA -0.143 51.860 52.037 -0.057 0.000 0.940 495 A CB 0.220 19.178 19.000 -0.070 0.000 1.440 495 A HN 0.123 nan 8.150 nan 0.000 0.480 496 D N 1.657 122.063 120.400 0.011 0.000 2.661 496 D HA 0.050 4.693 4.640 0.005 0.000 0.244 496 D C -1.257 175.058 176.300 0.025 0.000 1.196 496 D CA 0.084 54.098 54.000 0.023 0.000 0.881 496 D CB 0.644 41.470 40.800 0.044 0.000 1.141 496 D HN 0.248 nan 8.370 nan 0.000 0.530 497 P HA -0.191 nan 4.420 nan 0.000 0.216 497 P C 0.328 177.642 177.300 0.023 0.000 1.153 497 P CA 1.218 64.325 63.100 0.013 0.000 0.848 497 P CB 0.255 31.956 31.700 0.000 0.000 0.787 498 K N 0.536 120.951 120.400 0.024 0.000 2.504 498 K HA 0.139 4.463 4.320 0.005 0.000 0.199 498 K C 1.148 177.771 176.600 0.038 0.000 1.028 498 K CA 0.000 56.303 56.287 0.027 0.000 1.164 498 K CB -0.103 32.410 32.500 0.021 0.000 0.877 498 K HN 0.276 nan 8.250 nan 0.000 0.508 499 S N -0.180 115.550 115.700 0.049 0.000 2.738 499 S HA 0.127 4.600 4.470 0.005 0.000 0.284 499 S C 1.140 175.785 174.600 0.074 0.000 1.146 499 S CA -0.708 57.531 58.200 0.065 0.000 0.997 499 S CB 1.407 64.655 63.200 0.081 0.000 1.081 499 S HN 0.145 nan 8.310 nan 0.000 0.553 500 S N -0.252 115.503 115.700 0.092 0.000 2.607 500 S HA 0.147 4.620 4.470 0.005 0.000 0.224 500 S C 1.253 175.925 174.600 0.119 0.000 0.969 500 S CA -0.003 58.258 58.200 0.102 0.000 0.927 500 S CB -0.830 62.438 63.200 0.113 0.000 0.772 500 S HN 0.595 nan 8.310 nan 0.000 0.533 501 L N -0.230 121.065 121.223 0.121 0.000 2.202 501 L HA 0.168 4.511 4.340 0.005 0.000 0.205 501 L C 1.482 178.411 176.870 0.098 0.000 1.083 501 L CA 0.509 55.428 54.840 0.132 0.000 0.790 501 L CB -0.107 42.041 42.059 0.149 0.000 0.942 501 L HN 0.392 nan 8.230 nan 0.000 0.452 502 c N -0.399 118.246 118.600 0.075 0.000 3.000 502 c HA 0.367 4.940 4.570 0.005 0.000 0.286 502 c C 2.273 176.396 174.090 0.056 0.000 1.343 502 c CA -0.347 56.017 56.329 0.059 0.000 1.742 502 c CB -0.601 41.933 42.510 0.039 0.000 2.200 502 c HN 0.445 nan 8.230 nan 0.000 0.621 503 A N -0.169 122.688 122.820 0.062 0.000 2.239 503 A HA 0.149 4.472 4.320 0.005 0.000 0.209 503 A C 1.266 178.882 177.584 0.053 0.000 1.171 503 A CA 1.210 53.281 52.037 0.056 0.000 0.768 503 A CB -0.172 18.866 19.000 0.063 0.000 0.790 503 A HN 0.512 nan 8.150 nan 0.000 0.478 504 L N -1.506 119.751 121.223 0.057 0.000 3.429 504 L HA 0.305 4.648 4.340 0.005 0.000 0.311 504 L C 0.061 176.984 176.870 0.088 0.000 1.274 504 L CA 0.047 54.918 54.840 0.052 0.000 1.037 504 L CB 0.358 42.430 42.059 0.022 0.000 1.433 504 L HN 0.316 nan 8.230 nan 0.000 0.614 505 c N -1.153 117.508 118.600 0.102 0.000 2.478 505 c HA 0.757 5.330 4.570 0.005 0.000 0.379 505 c C 1.768 175.935 174.090 0.128 0.000 1.470 505 c CA 0.222 56.643 56.329 0.154 0.000 2.066 505 c CB 1.195 43.767 42.510 0.103 0.000 2.001 505 c HN 0.528 nan 8.230 nan 0.000 0.550 506 A N -0.935 121.924 122.820 0.064 0.000 2.140 506 A HA 0.593 4.916 4.320 0.005 0.000 0.199 506 A C 1.053 178.593 177.584 -0.074 0.000 1.416 506 A CA 1.281 53.292 52.037 -0.043 0.000 1.018 506 A CB -0.832 18.048 19.000 -0.201 0.000 1.117 506 A HN 2.177 nan 8.150 nan 0.000 0.480 507 G N 1.075 109.831 108.800 -0.072 0.000 2.539 507 G HA2 -0.218 3.746 3.960 0.005 0.000 0.256 507 G HA3 -0.218 3.746 3.960 0.005 0.000 0.256 507 G C 0.029 174.874 174.900 -0.091 0.000 1.233 507 G CA 0.452 45.513 45.100 -0.066 0.000 0.936 507 G HN 0.928 nan 8.290 nan 0.000 0.571 508 D N 0.173 120.532 120.400 -0.069 0.000 2.158 508 D HA 0.297 4.940 4.640 0.005 0.000 0.275 508 D C 1.225 177.478 176.300 -0.078 0.000 1.170 508 D CA 0.931 54.891 54.000 -0.067 0.000 1.007 508 D CB -0.528 40.246 40.800 -0.044 0.000 1.144 508 D HN 0.466 nan 8.370 nan 0.000 0.509 509 D N -1.571 118.794 120.400 -0.058 0.000 2.240 509 D HA -0.030 4.613 4.640 0.005 0.000 0.206 509 D C 1.983 178.260 176.300 -0.039 0.000 0.963 509 D CA 0.508 54.477 54.000 -0.052 0.000 0.863 509 D CB -0.078 40.700 40.800 -0.038 0.000 0.973 509 D HN 0.317 nan 8.370 nan 0.000 0.501 510 Q N -0.480 119.301 119.800 -0.032 0.000 2.224 510 Q HA 0.045 4.388 4.340 0.005 0.000 0.203 510 Q C 1.297 177.282 176.000 -0.025 0.000 0.970 510 Q CA 1.332 57.120 55.803 -0.024 0.000 0.865 510 Q CB 0.258 28.983 28.738 -0.020 0.000 0.922 510 Q HN 0.432 nan 8.270 nan 0.000 0.445 511 G N -0.839 107.942 108.800 -0.032 0.000 2.428 511 G HA2 -0.201 3.762 3.960 0.005 0.000 0.199 511 G HA3 -0.201 3.762 3.960 0.005 0.000 0.199 511 G C 0.123 175.006 174.900 -0.029 0.000 1.005 511 G CA -0.275 44.807 45.100 -0.030 0.000 0.671 511 G HN 0.198 nan 8.290 nan 0.000 0.485 512 L N 1.048 122.254 121.223 -0.028 0.000 2.453 512 L HA 0.153 4.496 4.340 0.005 0.000 0.283 512 L C 1.006 177.856 176.870 -0.033 0.000 1.284 512 L CA 1.154 55.977 54.840 -0.027 0.000 0.822 512 L CB -0.034 42.009 42.059 -0.027 0.000 1.081 512 L HN 0.321 nan 8.230 nan 0.000 0.562 513 D N 0.719 121.099 120.400 -0.033 0.000 2.692 513 D HA -0.198 4.445 4.640 0.005 0.000 0.233 513 D C 0.191 176.468 176.300 -0.039 0.000 1.172 513 D CA 0.997 54.973 54.000 -0.041 0.000 0.636 513 D CB -0.577 40.192 40.800 -0.050 0.000 1.028 513 D HN 0.361 nan 8.370 nan 0.000 0.419 514 K N 0.047 120.432 120.400 -0.025 0.000 2.448 514 K HA 0.164 4.487 4.320 0.005 0.000 0.278 514 K C 0.308 176.901 176.600 -0.012 0.000 1.009 514 K CA 0.149 56.429 56.287 -0.012 0.000 0.995 514 K CB 0.566 33.066 32.500 0.001 0.000 0.917 514 K HN 0.519 nan 8.250 nan 0.000 0.481 515 c N 2.901 121.502 118.600 0.001 0.000 1.885 515 c HA -0.115 4.458 4.570 0.005 0.000 0.228 515 c C -0.987 173.070 174.090 -0.054 0.000 0.901 515 c CA -0.035 56.292 56.329 -0.003 0.000 3.117 515 c CB -1.901 40.617 42.510 0.012 0.000 1.789 515 c HN 0.566 nan 8.230 nan 0.000 0.274 516 V N 9.160 129.012 119.914 -0.104 0.000 2.752 516 V HA 0.523 4.646 4.120 0.005 0.000 0.302 516 V C -1.531 174.293 176.094 -0.450 0.000 1.133 516 V CA -0.370 61.811 62.300 -0.198 0.000 0.919 516 V CB 2.698 34.426 31.823 -0.159 0.000 1.026 516 V HN 0.639 nan 8.190 nan 0.000 0.429 517 P HA 0.000 nan 4.420 nan 0.000 0.279 517 P C -0.356 176.377 177.300 -0.944 0.000 1.451 517 P CA 0.376 63.024 63.100 -0.752 0.000 0.783 517 P CB -0.521 31.023 31.700 -0.260 0.000 1.490 518 N N -2.137 116.073 118.700 -0.815 0.000 2.519 518 N HA 0.130 4.873 4.740 0.005 0.000 0.286 518 N C 0.722 176.124 175.510 -0.181 0.000 1.079 518 N CA -0.699 52.127 53.050 -0.374 0.000 0.878 518 N CB 0.942 39.327 38.487 -0.169 0.000 1.375 518 N HN -0.302 nan 8.380 nan 0.000 0.514 519 S N 1.983 117.837 115.700 0.255 0.000 2.503 519 S HA -0.423 4.050 4.470 0.005 0.000 0.275 519 S C 1.417 176.116 174.600 0.165 0.000 1.133 519 S CA 1.647 60.105 58.200 0.429 0.000 1.060 519 S CB -0.542 62.813 63.200 0.258 0.000 0.868 519 S HN 0.750 nan 8.310 nan 0.000 0.478 520 K N 1.331 121.762 120.400 0.052 0.000 2.281 520 K HA -0.101 4.223 4.320 0.005 0.000 0.203 520 K C 0.914 177.505 176.600 -0.016 0.000 1.046 520 K CA 1.176 57.465 56.287 0.004 0.000 0.938 520 K CB -0.135 32.352 32.500 -0.020 0.000 0.737 520 K HN 0.596 nan 8.250 nan 0.000 0.458 521 E N 1.614 121.813 120.200 -0.001 0.000 1.939 521 E HA -0.071 4.282 4.350 0.005 0.000 0.259 521 E C 0.200 176.814 176.600 0.023 0.000 1.259 521 E CA 0.320 56.719 56.400 -0.001 0.000 0.971 521 E CB 0.245 29.940 29.700 -0.008 0.000 1.055 521 E HN 0.015 nan 8.360 nan 0.000 0.420 522 K N 2.841 123.166 120.400 -0.126 0.000 2.097 522 K HA -0.240 4.084 4.320 0.005 0.000 0.214 522 K C 0.115 176.565 176.600 -0.249 0.000 1.052 522 K CA 1.653 57.765 56.287 -0.292 0.000 0.932 522 K CB -0.261 31.886 32.500 -0.588 0.000 0.716 522 K HN 0.579 nan 8.250 nan 0.000 0.455 523 Y N -0.702 119.580 120.300 -0.029 0.000 2.933 523 Y HA 0.136 4.690 4.550 0.005 0.000 0.380 523 Y C -0.561 175.367 175.900 0.047 0.000 1.056 523 Y CA -0.786 57.285 58.100 -0.048 0.000 1.704 523 Y CB -0.454 37.961 38.460 -0.076 0.000 1.558 523 Y HN 0.030 nan 8.280 nan 0.000 0.501 524 Y N 0.180 120.515 120.300 0.058 0.000 2.376 524 Y HA 0.748 5.301 4.550 0.005 0.000 0.340 524 Y C 0.255 176.161 175.900 0.010 0.000 0.965 524 Y CA -0.598 57.518 58.100 0.028 0.000 1.078 524 Y CB 1.286 39.748 38.460 0.003 0.000 1.193 524 Y HN 0.378 nan 8.280 nan 0.000 0.452 525 G N 3.533 111.869 108.800 -0.775 0.000 2.525 525 G HA2 -0.242 3.721 3.960 0.005 0.000 0.685 525 G HA3 -0.242 3.721 3.960 0.005 0.000 0.685 525 G C -0.696 174.043 174.900 -0.268 0.000 1.290 525 G CA -0.305 44.373 45.100 -0.705 0.000 0.915 525 G HN 0.536 nan 8.290 nan 0.000 0.548 526 Y N 0.189 120.401 120.300 -0.147 0.000 2.242 526 Y HA 0.006 4.559 4.550 0.005 0.000 0.291 526 Y C 3.290 179.211 175.900 0.035 0.000 1.137 526 Y CA 2.507 60.563 58.100 -0.073 0.000 1.181 526 Y CB -0.642 37.758 38.460 -0.101 0.000 0.989 526 Y HN 0.904 nan 8.280 nan 0.000 0.527 527 T N -3.028 111.653 114.554 0.211 0.000 3.051 527 T HA 0.131 4.484 4.350 0.005 0.000 0.255 527 T C 2.176 176.998 174.700 0.204 0.000 1.085 527 T CA 0.819 63.114 62.100 0.326 0.000 1.109 527 T CB -0.459 68.605 68.868 0.326 0.000 0.921 527 T HN 0.240 nan 8.240 nan 0.000 0.488 528 G N 1.049 109.883 108.800 0.057 0.000 2.395 528 G HA2 0.255 4.218 3.960 0.005 0.000 0.214 528 G HA3 0.255 4.218 3.960 0.005 0.000 0.214 528 G C 1.614 176.545 174.900 0.051 0.000 1.177 528 G CA 0.399 45.507 45.100 0.014 0.000 0.794 528 G HN 0.695 nan 8.290 nan 0.000 0.532 529 A N -0.428 122.423 122.820 0.050 0.000 2.302 529 A HA 0.451 4.774 4.320 0.005 0.000 0.219 529 A C 1.434 179.034 177.584 0.028 0.000 1.243 529 A CA 0.195 52.250 52.037 0.030 0.000 0.856 529 A CB -0.336 18.691 19.000 0.045 0.000 0.893 529 A HN 0.394 nan 8.150 nan 0.000 0.491 530 F N -0.716 119.169 119.950 -0.108 0.000 2.717 530 F HA 0.328 4.858 4.527 0.005 0.000 0.297 530 F C 1.647 177.314 175.800 -0.221 0.000 1.113 530 F CA -0.056 57.874 58.000 -0.116 0.000 1.319 530 F CB -0.014 38.996 39.000 0.016 0.000 1.097 530 F HN 0.193 nan 8.300 nan 0.000 0.595 531 R N -0.801 119.357 120.500 -0.569 0.000 2.100 531 R HA -0.074 4.269 4.340 0.005 0.000 0.220 531 R C 2.443 178.375 176.300 -0.613 0.000 1.091 531 R CA 1.153 56.666 56.100 -0.979 0.000 0.986 531 R CB -0.924 28.937 30.300 -0.731 0.000 0.888 531 R HN 0.434 nan 8.270 nan 0.000 0.444 532 c N 0.788 119.050 118.600 -0.563 0.000 2.396 532 c HA -0.151 4.422 4.570 0.005 0.000 0.277 532 c C 2.377 176.173 174.090 -0.491 0.000 1.231 532 c CA 1.256 57.123 56.329 -0.768 0.000 1.775 532 c CB -0.806 41.419 42.510 -0.475 0.000 2.036 532 c HN 0.577 nan 8.230 nan 0.000 0.484 533 L N 0.428 121.472 121.223 -0.299 0.000 2.513 533 L HA 0.454 4.797 4.340 0.005 0.000 0.222 533 L C 1.839 178.683 176.870 -0.042 0.000 1.096 533 L CA 1.499 56.261 54.840 -0.130 0.000 0.857 533 L CB -0.393 41.642 42.059 -0.040 0.000 1.026 533 L HN 0.150 nan 8.230 nan 0.000 0.469 534 A N -0.537 122.156 122.820 -0.212 0.000 2.411 534 A HA 0.316 4.640 4.320 0.005 0.000 0.251 534 A C 0.788 178.333 177.584 -0.065 0.000 1.317 534 A CA 0.070 52.052 52.037 -0.092 0.000 0.904 534 A CB -0.399 18.394 19.000 -0.345 0.000 0.993 534 A HN 0.549 nan 8.150 nan 0.000 0.504 535 E N -0.599 119.530 120.200 -0.117 0.000 3.303 535 E HA 0.029 4.382 4.350 0.005 0.000 0.142 535 E C -0.814 175.742 176.600 -0.074 0.000 0.921 535 E CA -0.309 56.056 56.400 -0.058 0.000 1.460 535 E CB 0.246 29.935 29.700 -0.019 0.000 1.036 535 E HN 0.267 nan 8.360 nan 0.000 0.407 536 D N 0.344 120.698 120.400 -0.076 0.000 2.845 536 D HA -0.187 4.456 4.640 0.005 0.000 0.229 536 D C 1.068 177.311 176.300 -0.095 0.000 1.170 536 D CA 0.650 54.609 54.000 -0.068 0.000 0.717 536 D CB -0.728 40.051 40.800 -0.035 0.000 1.073 536 D HN 0.203 nan 8.370 nan 0.000 0.424 537 V N -1.143 118.662 119.914 -0.182 0.000 2.515 537 V HA 0.008 4.131 4.120 0.005 0.000 0.250 537 V C 1.658 177.653 176.094 -0.164 0.000 1.058 537 V CA 1.925 64.099 62.300 -0.210 0.000 1.064 537 V CB 0.070 31.605 31.823 -0.480 0.000 0.675 537 V HN 0.425 nan 8.190 nan 0.000 0.461 538 G N -1.903 106.793 108.800 -0.172 0.000 2.680 538 G HA2 0.416 4.379 3.960 0.005 0.000 0.290 538 G HA3 0.416 4.379 3.960 0.005 0.000 0.290 538 G C -0.497 174.364 174.900 -0.065 0.000 1.355 538 G CA -0.184 44.846 45.100 -0.116 0.000 0.903 538 G HN 0.015 nan 8.290 nan 0.000 0.474 539 D N -1.271 119.120 120.400 -0.016 0.000 2.234 539 D HA 0.067 4.710 4.640 0.005 0.000 0.205 539 D C 0.735 177.032 176.300 -0.004 0.000 0.962 539 D CA 0.990 55.003 54.000 0.022 0.000 0.855 539 D CB 0.892 41.747 40.800 0.090 0.000 0.951 539 D HN 0.177 nan 8.370 nan 0.000 0.500 540 V N -0.876 119.001 119.914 -0.061 0.000 3.147 540 V HA 0.687 4.811 4.120 0.005 0.000 0.306 540 V C -1.823 174.112 176.094 -0.265 0.000 1.209 540 V CA -0.819 61.379 62.300 -0.171 0.000 1.023 540 V CB 2.280 33.991 31.823 -0.186 0.000 1.059 540 V HN -0.024 nan 8.190 nan 0.000 0.435 541 A N 4.529 127.142 122.820 -0.345 0.000 2.984 541 A HA 0.639 4.962 4.320 0.005 0.000 0.320 541 A C -0.747 176.650 177.584 -0.311 0.000 1.142 541 A CA -0.431 51.441 52.037 -0.276 0.000 0.772 541 A CB 0.014 18.922 19.000 -0.153 0.000 1.195 541 A HN 0.769 nan 8.150 nan 0.000 0.459 542 F N 1.448 121.227 119.950 -0.286 0.000 2.512 542 F HA 0.176 4.706 4.527 0.005 0.000 0.406 542 F C 1.210 176.991 175.800 -0.032 0.000 0.990 542 F CA 1.322 59.253 58.000 -0.115 0.000 1.137 542 F CB 0.227 39.218 39.000 -0.016 0.000 0.960 542 F HN 0.493 nan 8.300 nan 0.000 0.533 543 V N 1.185 121.063 119.914 -0.061 0.000 3.139 543 V HA 0.657 4.780 4.120 0.005 0.000 0.310 543 V C -0.767 175.177 176.094 -0.249 0.000 1.260 543 V CA -1.447 60.789 62.300 -0.107 0.000 1.064 543 V CB 2.099 33.806 31.823 -0.192 0.000 1.160 543 V HN 0.602 nan 8.190 nan 0.000 0.470 544 K N 0.389 120.503 120.400 -0.478 0.000 2.235 544 K HA 0.412 4.736 4.320 0.005 0.000 0.266 544 K C 0.547 176.938 176.600 -0.349 0.000 0.980 544 K CA -0.288 55.622 56.287 -0.629 0.000 0.849 544 K CB 1.492 33.259 32.500 -1.222 0.000 1.098 544 K HN 0.685 nan 8.250 nan 0.000 0.445 545 N N 3.208 121.782 118.700 -0.210 0.000 2.171 545 N HA -0.306 4.437 4.740 0.005 0.000 0.200 545 N C 0.242 175.746 175.510 -0.011 0.000 0.991 545 N CA 2.713 55.709 53.050 -0.091 0.000 0.906 545 N CB -0.284 38.122 38.487 -0.136 0.000 1.060 545 N HN 0.820 nan 8.380 nan 0.000 0.510 546 D N -2.173 118.152 120.400 -0.126 0.000 2.378 546 D HA -0.036 4.608 4.640 0.005 0.000 0.222 546 D C 1.452 177.709 176.300 -0.071 0.000 0.980 546 D CA 0.902 54.863 54.000 -0.065 0.000 0.907 546 D CB -0.327 40.414 40.800 -0.098 0.000 0.899 546 D HN 0.272 nan 8.370 nan 0.000 0.527 547 T N -0.698 113.721 114.554 -0.226 0.000 3.035 547 T HA -0.016 4.337 4.350 0.005 0.000 0.259 547 T C 1.738 175.888 174.700 -0.917 0.000 1.078 547 T CA 0.149 62.039 62.100 -0.349 0.000 1.132 547 T CB -0.018 68.686 68.868 -0.274 0.000 0.900 547 T HN 0.029 nan 8.240 nan 0.000 0.480 548 V N -0.540 118.812 119.914 -0.937 0.000 2.719 548 V HA 0.027 4.150 4.120 0.005 0.000 0.252 548 V C 1.592 177.323 176.094 -0.605 0.000 1.065 548 V CA 1.171 62.755 62.300 -1.194 0.000 1.086 548 V CB -0.323 31.079 31.823 -0.701 0.000 0.700 548 V HN 0.653 nan 8.190 nan 0.000 0.467 549 W N 0.158 121.249 121.300 -0.348 0.000 2.443 549 W HA 0.099 4.762 4.660 0.005 0.000 0.296 549 W C 1.818 178.270 176.519 -0.111 0.000 1.202 549 W CA 0.783 58.026 57.345 -0.171 0.000 1.312 549 W CB 0.256 29.626 29.460 -0.149 0.000 1.120 549 W HN 0.108 nan 8.180 nan 0.000 0.536 550 E N 0.805 121.055 120.200 0.083 0.000 2.989 550 E HA 0.091 4.444 4.350 0.005 0.000 0.224 550 E C -0.093 176.549 176.600 0.070 0.000 1.175 550 E CA 0.086 56.528 56.400 0.071 0.000 1.300 550 E CB -0.821 28.926 29.700 0.078 0.000 1.422 550 E HN 0.156 nan 8.360 nan 0.000 0.439 551 N N 0.705 119.436 118.700 0.051 0.000 2.092 551 N HA -0.020 4.723 4.740 0.005 0.000 0.218 551 N C -0.915 174.483 175.510 -0.187 0.000 1.428 551 N CA 0.343 53.375 53.050 -0.030 0.000 0.961 551 N CB 1.032 39.699 38.487 0.301 0.000 1.148 551 N HN 0.384 nan 8.380 nan 0.000 0.586 552 T N -3.018 111.492 114.554 -0.073 0.000 2.762 552 T HA 0.426 4.780 4.350 0.005 0.000 0.301 552 T C 0.015 174.675 174.700 -0.066 0.000 1.299 552 T CA -0.147 61.910 62.100 -0.071 0.000 1.005 552 T CB 2.151 71.049 68.868 0.049 0.000 1.377 552 T HN -0.091 nan 8.240 nan 0.000 0.504 553 N N -0.270 118.396 118.700 -0.057 0.000 2.782 553 N HA -0.087 4.656 4.740 0.005 0.000 0.251 553 N C 0.562 176.049 175.510 -0.038 0.000 1.101 553 N CA 2.485 55.505 53.050 -0.050 0.000 0.764 553 N CB -1.393 37.056 38.487 -0.064 0.000 1.122 553 N HN 2.031 nan 8.380 nan 0.000 0.561 554 G N -0.821 107.948 108.800 -0.051 0.000 2.452 554 G HA2 -0.219 3.744 3.960 0.005 0.000 0.275 554 G HA3 -0.219 3.744 3.960 0.005 0.000 0.275 554 G C 0.236 175.113 174.900 -0.038 0.000 1.131 554 G CA 0.244 45.317 45.100 -0.046 0.000 1.031 554 G HN 0.381 nan 8.290 nan 0.000 0.511 555 E N -0.851 119.317 120.200 -0.054 0.000 2.603 555 E HA 0.116 4.470 4.350 0.005 0.000 0.218 555 E C 1.853 178.428 176.600 -0.042 0.000 0.878 555 E CA 0.609 56.989 56.400 -0.033 0.000 1.348 555 E CB 0.240 29.936 29.700 -0.007 0.000 1.318 555 E HN 0.407 nan 8.360 nan 0.000 0.673 556 S N 0.557 116.203 115.700 -0.090 0.000 2.289 556 S HA 0.024 4.497 4.470 0.005 0.000 0.193 556 S C 1.581 176.148 174.600 -0.054 0.000 1.002 556 S CA 2.154 60.301 58.200 -0.088 0.000 0.951 556 S CB 0.187 63.259 63.200 -0.213 0.000 0.920 556 S HN 0.237 nan 8.310 nan 0.000 0.502 557 S N -0.715 114.938 115.700 -0.079 0.000 4.027 557 S HA 0.195 4.668 4.470 0.005 0.000 0.102 557 S C 0.289 174.860 174.600 -0.049 0.000 0.835 557 S CA 0.633 58.809 58.200 -0.041 0.000 1.442 557 S CB -1.399 61.797 63.200 -0.008 0.000 1.225 557 S HN 1.204 nan 8.310 nan 0.000 0.336 558 A N 2.619 125.392 122.820 -0.079 0.000 2.580 558 A HA 0.337 4.660 4.320 0.005 0.000 0.244 558 A C 0.714 178.241 177.584 -0.095 0.000 1.045 558 A CA 0.852 52.839 52.037 -0.084 0.000 0.761 558 A CB -0.505 18.435 19.000 -0.099 0.000 0.962 558 A HN 0.735 nan 8.150 nan 0.000 0.512 559 D N 1.601 122.013 120.400 0.020 0.000 2.392 559 D HA -0.151 4.492 4.640 0.005 0.000 0.228 559 D C 1.196 177.543 176.300 0.078 0.000 1.003 559 D CA 1.141 55.160 54.000 0.031 0.000 0.917 559 D CB -0.078 40.749 40.800 0.045 0.000 0.890 559 D HN 0.877 nan 8.370 nan 0.000 0.532 560 W N 0.331 121.630 121.300 -0.002 0.000 2.798 560 W HA 0.402 5.065 4.660 0.005 0.000 0.260 560 W C 0.631 177.137 176.519 -0.020 0.000 1.165 560 W CA 0.133 57.470 57.345 -0.013 0.000 1.501 560 W CB -0.163 29.286 29.460 -0.019 0.000 1.023 560 W HN -0.002 nan 8.180 nan 0.000 0.615 561 A N 1.828 123.703 122.820 -1.575 0.000 2.648 561 A HA 0.247 4.571 4.320 0.005 0.000 0.269 561 A C 1.214 178.388 177.584 -0.683 0.000 1.392 561 A CA 0.703 51.681 52.037 -1.765 0.000 1.019 561 A CB -0.545 17.231 19.000 -2.041 0.000 1.009 561 A HN 0.322 nan 8.150 nan 0.000 0.565 562 K N 0.316 120.482 120.400 -0.390 0.000 2.644 562 K HA 0.027 4.350 4.320 0.005 0.000 0.231 562 K C 1.339 177.873 176.600 -0.110 0.000 1.493 562 K CA 0.708 56.876 56.287 -0.198 0.000 0.836 562 K CB -0.400 32.016 32.500 -0.142 0.000 1.853 562 K HN 0.353 nan 8.250 nan 0.000 0.390 563 N N 2.082 120.741 118.700 -0.067 0.000 2.503 563 N HA -0.110 4.633 4.740 0.005 0.000 0.189 563 N C -0.074 175.425 175.510 -0.018 0.000 1.048 563 N CA 0.235 53.266 53.050 -0.032 0.000 0.905 563 N CB -0.569 37.910 38.487 -0.014 0.000 0.951 563 N HN 0.132 nan 8.380 nan 0.000 0.446 564 L N 0.749 121.966 121.223 -0.010 0.000 2.483 564 L HA 0.065 4.408 4.340 0.005 0.000 0.275 564 L C 0.244 177.137 176.870 0.037 0.000 1.220 564 L CA 0.096 54.970 54.840 0.056 0.000 0.833 564 L CB 0.011 42.161 42.059 0.152 0.000 1.102 564 L HN 0.220 nan 8.230 nan 0.000 0.490 565 N N 0.055 118.782 118.700 0.045 0.000 2.407 565 N HA 0.201 4.944 4.740 0.005 0.000 0.277 565 N C 0.986 176.548 175.510 0.088 0.000 0.995 565 N CA -0.766 52.288 53.050 0.007 0.000 0.903 565 N CB 1.188 39.651 38.487 -0.040 0.000 1.218 565 N HN 0.576 nan 8.380 nan 0.000 0.487 566 R N 2.017 122.540 120.500 0.039 0.000 2.105 566 R HA -0.093 4.250 4.340 0.005 0.000 0.239 566 R C 0.668 177.011 176.300 0.072 0.000 1.135 566 R CA 1.081 57.205 56.100 0.040 0.000 0.967 566 R CB -0.123 29.954 30.300 -0.372 0.000 0.861 566 R HN 0.495 nan 8.270 nan 0.000 0.442 567 E N 0.846 121.020 120.200 -0.043 0.000 2.335 567 E HA -0.057 4.296 4.350 0.005 0.000 0.191 567 E C -0.203 176.367 176.600 -0.050 0.000 1.150 567 E CA 0.213 56.586 56.400 -0.044 0.000 1.001 567 E CB 0.167 29.833 29.700 -0.057 0.000 1.127 567 E HN 0.385 nan 8.360 nan 0.000 0.462 568 D N -1.036 119.316 120.400 -0.080 0.000 2.423 568 D HA 0.046 4.689 4.640 0.005 0.000 0.208 568 D C -0.246 175.843 176.300 -0.351 0.000 1.068 568 D CA 0.210 54.046 54.000 -0.273 0.000 0.860 568 D CB 0.353 40.857 40.800 -0.494 0.000 0.992 568 D HN 0.068 nan 8.370 nan 0.000 0.504 569 F N 1.090 121.020 119.950 -0.034 0.000 2.411 569 F HA 0.463 4.993 4.527 0.005 0.000 0.352 569 F C 0.744 176.524 175.800 -0.033 0.000 1.123 569 F CA -1.009 56.978 58.000 -0.022 0.000 1.044 569 F CB 1.196 40.199 39.000 0.006 0.000 1.135 569 F HN -0.548 nan 8.300 nan 0.000 0.461 570 R N 2.231 122.825 120.500 0.156 0.000 2.500 570 R HA 0.497 4.840 4.340 0.005 0.000 0.277 570 R C -0.713 175.637 176.300 0.084 0.000 1.026 570 R CA -0.537 55.619 56.100 0.093 0.000 1.058 570 R CB 0.758 31.096 30.300 0.063 0.000 1.078 570 R HN 0.648 nan 8.270 nan 0.000 0.509 571 L N 4.852 126.119 121.223 0.074 0.000 2.397 571 L HA 0.271 4.614 4.340 0.005 0.000 0.263 571 L C -0.196 176.724 176.870 0.082 0.000 1.136 571 L CA -0.424 54.454 54.840 0.063 0.000 1.019 571 L CB 0.083 42.192 42.059 0.084 0.000 1.352 571 L HN 0.458 nan 8.230 nan 0.000 0.420 572 L N 2.234 123.494 121.223 0.062 0.000 2.806 572 L HA -0.156 4.187 4.340 0.005 0.000 0.282 572 L C 0.454 177.453 176.870 0.216 0.000 1.166 572 L CA 0.324 55.235 54.840 0.119 0.000 0.969 572 L CB -0.491 41.611 42.059 0.071 0.000 1.304 572 L HN 0.667 nan 8.230 nan 0.000 0.474 573 c N 3.778 122.505 118.600 0.212 0.000 2.352 573 c HA 0.252 4.825 4.570 0.005 0.000 0.387 573 c C 1.964 176.188 174.090 0.223 0.000 1.294 573 c CA -0.746 55.708 56.329 0.208 0.000 2.137 573 c CB 1.235 43.827 42.510 0.137 0.000 2.146 573 c HN 0.774 nan 8.230 nan 0.000 0.559 574 L N 1.240 122.521 121.223 0.096 0.000 2.478 574 L HA -0.003 4.340 4.340 0.005 0.000 0.223 574 L C 1.090 177.933 176.870 -0.044 0.000 1.140 574 L CA 1.149 55.968 54.840 -0.035 0.000 0.842 574 L CB -0.344 41.620 42.059 -0.159 0.000 0.953 574 L HN 0.791 nan 8.230 nan 0.000 0.452 575 D N -0.946 119.465 120.400 0.018 0.000 2.670 575 D HA 0.121 4.764 4.640 0.005 0.000 0.255 575 D C 0.943 177.273 176.300 0.051 0.000 1.286 575 D CA 0.019 54.027 54.000 0.013 0.000 0.830 575 D CB 0.138 40.939 40.800 0.002 0.000 1.065 575 D HN 0.067 nan 8.370 nan 0.000 0.486 576 G N -0.182 108.676 108.800 0.097 0.000 2.298 576 G HA2 -0.238 3.725 3.960 0.005 0.000 0.287 576 G HA3 -0.238 3.725 3.960 0.005 0.000 0.287 576 G C 0.120 175.077 174.900 0.095 0.000 1.075 576 G CA 0.631 45.803 45.100 0.119 0.000 0.960 576 G HN 0.619 nan 8.290 nan 0.000 0.502 577 T N -1.067 113.547 114.554 0.100 0.000 2.762 577 T HA 0.867 5.220 4.350 0.005 0.000 0.272 577 T C -0.283 174.473 174.700 0.092 0.000 0.982 577 T CA 0.487 62.636 62.100 0.082 0.000 1.013 577 T CB 1.789 70.698 68.868 0.067 0.000 1.309 577 T HN 0.528 nan 8.240 nan 0.000 0.572 578 T N 2.210 116.811 114.554 0.077 0.000 3.295 578 T HA 0.469 4.822 4.350 0.005 0.000 0.331 578 T C -1.494 173.247 174.700 0.068 0.000 1.142 578 T CA -0.759 61.387 62.100 0.076 0.000 1.078 578 T CB 1.289 70.196 68.868 0.066 0.000 1.150 578 T HN 0.483 nan 8.240 nan 0.000 0.465 579 K N 2.495 122.940 120.400 0.075 0.000 2.385 579 K HA 0.658 4.981 4.320 0.005 0.000 0.248 579 K C -2.805 173.839 176.600 0.073 0.000 0.955 579 K CA -2.454 53.877 56.287 0.072 0.000 0.816 579 K CB 2.076 34.625 32.500 0.082 0.000 1.250 579 K HN 0.245 nan 8.250 nan 0.000 0.434 580 P HA -0.080 nan 4.420 nan 0.000 0.272 580 P C 0.976 178.327 177.300 0.084 0.000 1.254 580 P CA -0.440 62.698 63.100 0.063 0.000 0.795 580 P CB 0.333 32.064 31.700 0.051 0.000 1.022 581 V N -2.123 117.819 119.914 0.047 0.000 2.828 581 V HA -0.241 3.883 4.120 0.005 0.000 0.260 581 V C 1.927 178.185 176.094 0.272 0.000 1.101 581 V CA 2.370 64.692 62.300 0.036 0.000 1.123 581 V CB -2.637 29.041 31.823 -0.242 0.000 0.704 581 V HN 0.698 nan 8.190 nan 0.000 0.493 582 T N -0.014 114.684 114.554 0.241 0.000 2.545 582 T HA -0.225 4.128 4.350 0.005 0.000 0.261 582 T C 1.252 176.107 174.700 0.259 0.000 1.097 582 T CA 1.504 63.838 62.100 0.390 0.000 1.189 582 T CB -0.686 68.306 68.868 0.206 0.000 0.863 582 T HN 0.441 nan 8.240 nan 0.000 0.405 583 E N 1.910 122.200 120.200 0.149 0.000 3.057 583 E HA 0.442 4.795 4.350 0.005 0.000 0.314 583 E C 0.801 177.454 176.600 0.089 0.000 1.433 583 E CA 0.131 56.587 56.400 0.093 0.000 1.546 583 E CB -0.764 28.984 29.700 0.080 0.000 1.224 583 E HN 0.641 nan 8.360 nan 0.000 0.483 584 A N 1.243 124.108 122.820 0.075 0.000 2.337 584 A HA 0.003 4.326 4.320 0.005 0.000 0.227 584 A C 1.731 179.254 177.584 -0.100 0.000 1.259 584 A CA -0.008 52.052 52.037 0.039 0.000 0.870 584 A CB 0.077 19.106 19.000 0.048 0.000 0.927 584 A HN 0.321 nan 8.150 nan 0.000 0.497 585 Q N 0.596 120.346 119.800 -0.083 0.000 2.134 585 Q HA -0.075 4.268 4.340 0.005 0.000 0.195 585 Q C 1.960 177.936 176.000 -0.041 0.000 0.958 585 Q CA 2.315 58.011 55.803 -0.178 0.000 0.840 585 Q CB -0.293 28.380 28.738 -0.109 0.000 0.918 585 Q HN 0.517 nan 8.270 nan 0.000 0.467 586 S N -1.458 114.311 115.700 0.115 0.000 2.496 586 S HA 0.122 4.595 4.470 0.005 0.000 0.224 586 S C 0.755 175.575 174.600 0.367 0.000 0.996 586 S CA -0.028 58.311 58.200 0.231 0.000 0.927 586 S CB -0.243 63.031 63.200 0.122 0.000 0.774 586 S HN 0.398 nan 8.310 nan 0.000 0.524 587 c N 2.909 121.719 118.600 0.350 0.000 2.379 587 c HA 0.853 5.426 4.570 0.005 0.000 0.323 587 c C -1.799 172.651 174.090 0.600 0.000 1.262 587 c CA -0.634 55.920 56.329 0.374 0.000 1.581 587 c CB -0.250 42.382 42.510 0.204 0.000 2.221 587 c HN 0.612 nan 8.230 nan 0.000 0.497 588 Y N 4.109 124.446 120.300 0.061 0.000 2.484 588 Y HA 0.242 4.795 4.550 0.005 0.000 0.341 588 Y C -0.039 175.915 175.900 0.089 0.000 1.333 588 Y CA -1.634 56.508 58.100 0.070 0.000 1.390 588 Y CB -0.790 37.694 38.460 0.040 0.000 1.321 588 Y HN 0.478 nan 8.280 nan 0.000 0.487 589 L N 1.683 123.009 121.223 0.171 0.000 2.081 589 L HA 0.236 4.579 4.340 0.005 0.000 0.212 589 L C 1.044 177.837 176.870 -0.127 0.000 1.080 589 L CA 1.762 56.646 54.840 0.074 0.000 0.754 589 L CB -0.498 41.731 42.059 0.283 0.000 0.893 589 L HN 0.921 nan 8.230 nan 0.000 0.433 590 A N -1.094 121.683 122.820 -0.072 0.000 2.585 590 A HA 0.464 4.787 4.320 0.005 0.000 0.299 590 A C -1.118 176.569 177.584 0.171 0.000 1.047 590 A CA -0.542 51.432 52.037 -0.105 0.000 0.723 590 A CB 0.906 19.866 19.000 -0.067 0.000 1.275 590 A HN -0.186 nan 8.150 nan 0.000 0.408 591 V N 1.335 121.388 119.914 0.231 0.000 2.686 591 V HA 0.733 4.856 4.120 0.005 0.000 0.295 591 V C 0.433 176.548 176.094 0.036 0.000 1.055 591 V CA 0.939 63.392 62.300 0.254 0.000 1.050 591 V CB 1.076 33.076 31.823 0.295 0.000 0.984 591 V HN 2.321 nan 8.190 nan 0.000 0.482 592 A N 7.595 130.388 122.820 -0.044 0.000 2.594 592 A HA 0.968 5.291 4.320 0.005 0.000 0.291 592 A C -3.063 174.237 177.584 -0.474 0.000 1.105 592 A CA -1.512 50.376 52.037 -0.248 0.000 0.694 592 A CB 2.316 21.183 19.000 -0.223 0.000 1.291 592 A HN 0.696 nan 8.150 nan 0.000 0.410 593 P HA 0.259 nan 4.420 nan 0.000 0.290 593 P C -0.687 176.226 177.300 -0.646 0.000 1.275 593 P CA -0.522 62.288 63.100 -0.483 0.000 0.841 593 P CB 0.809 32.276 31.700 -0.389 0.000 1.042 594 N N 1.506 119.851 118.700 -0.592 0.000 2.202 594 N HA -0.094 4.649 4.740 0.005 0.000 0.218 594 N C -0.053 175.257 175.510 -0.333 0.000 1.328 594 N CA 0.337 53.005 53.050 -0.638 0.000 0.884 594 N CB -0.525 37.788 38.487 -0.290 0.000 1.106 594 N HN 0.543 nan 8.380 nan 0.000 0.439 595 H N -1.185 118.030 119.070 0.242 0.000 2.782 595 H HA 0.533 5.092 4.556 0.005 0.000 0.285 595 H C 0.047 175.571 175.328 0.326 0.000 1.093 595 H CA -0.703 55.527 56.048 0.304 0.000 1.410 595 H CB 0.452 30.402 29.762 0.313 0.000 1.439 595 H HN 0.664 nan 8.280 nan 0.000 0.469 596 A N 3.454 126.544 122.820 0.450 0.000 2.269 596 A HA 0.539 4.862 4.320 0.005 0.000 0.319 596 A C -0.134 177.590 177.584 0.232 0.000 1.110 596 A CA -0.824 51.393 52.037 0.299 0.000 0.847 596 A CB 0.741 19.804 19.000 0.106 0.000 1.161 596 A HN 0.532 nan 8.150 nan 0.000 0.497 597 V N 0.675 120.685 119.914 0.159 0.000 2.649 597 V HA 0.455 4.578 4.120 0.005 0.000 0.292 597 V C 0.121 176.220 176.094 0.008 0.000 1.055 597 V CA -0.210 62.135 62.300 0.075 0.000 1.023 597 V CB 0.925 32.825 31.823 0.129 0.000 0.992 597 V HN 0.982 nan 8.190 nan 0.000 0.480 598 V N 1.626 121.507 119.914 -0.054 0.000 2.525 598 V HA 0.957 5.080 4.120 0.005 0.000 0.299 598 V C -0.315 175.734 176.094 -0.076 0.000 1.034 598 V CA -0.229 62.050 62.300 -0.036 0.000 0.863 598 V CB 1.378 33.208 31.823 0.012 0.000 0.999 598 V HN 1.033 nan 8.190 nan 0.000 0.423 599 S N 4.535 120.208 115.700 -0.045 0.000 2.595 599 S HA 0.693 5.166 4.470 0.005 0.000 0.281 599 S C -0.403 174.189 174.600 -0.014 0.000 1.117 599 S CA -1.212 56.964 58.200 -0.040 0.000 0.873 599 S CB 2.135 65.318 63.200 -0.027 0.000 1.108 599 S HN 0.930 nan 8.310 nan 0.000 0.477 600 R N 1.113 121.606 120.500 -0.011 0.000 2.623 600 R HA 0.192 4.535 4.340 0.005 0.000 0.271 600 R C 0.518 176.822 176.300 0.007 0.000 1.043 600 R CA -0.127 55.971 56.100 -0.003 0.000 1.083 600 R CB 0.254 30.549 30.300 -0.008 0.000 0.974 600 R HN 0.715 nan 8.270 nan 0.000 0.436 601 S N 1.426 117.131 115.700 0.009 0.000 3.077 601 S HA -0.088 4.385 4.470 0.005 0.000 0.244 601 S C 0.377 174.985 174.600 0.014 0.000 1.013 601 S CA 1.038 59.246 58.200 0.014 0.000 1.121 601 S CB -0.644 62.565 63.200 0.015 0.000 0.847 601 S HN 0.681 nan 8.310 nan 0.000 0.514 602 D N -1.826 118.583 120.400 0.015 0.000 2.401 602 D HA 0.159 4.802 4.640 0.005 0.000 0.269 602 D C 1.489 177.805 176.300 0.026 0.000 1.117 602 D CA -0.315 53.693 54.000 0.014 0.000 0.829 602 D CB 0.134 40.936 40.800 0.003 0.000 1.350 602 D HN -0.030 nan 8.370 nan 0.000 0.529 603 R N 0.503 121.022 120.500 0.032 0.000 2.437 603 R HA 0.535 4.878 4.340 0.005 0.000 0.257 603 R C 1.411 177.753 176.300 0.071 0.000 0.927 603 R CA 0.553 56.688 56.100 0.058 0.000 1.078 603 R CB 0.116 30.441 30.300 0.041 0.000 1.161 603 R HN 0.287 nan 8.270 nan 0.000 0.529 604 A N 1.265 124.114 122.820 0.048 0.000 1.881 604 A HA -0.034 4.289 4.320 0.005 0.000 0.208 604 A C 2.051 179.674 177.584 0.065 0.000 1.264 604 A CA 1.727 53.789 52.037 0.042 0.000 0.629 604 A CB -1.254 17.762 19.000 0.028 0.000 0.906 604 A HN 0.229 nan 8.150 nan 0.000 0.476 605 A N -1.378 121.479 122.820 0.062 0.000 2.204 605 A HA -0.356 3.967 4.320 0.005 0.000 0.225 605 A C 1.962 179.618 177.584 0.119 0.000 1.187 605 A CA 2.682 54.764 52.037 0.074 0.000 0.689 605 A CB -1.144 17.892 19.000 0.060 0.000 0.823 605 A HN 0.910 nan 8.150 nan 0.000 0.496 606 H N -1.450 117.646 119.070 0.044 0.000 2.557 606 H HA 0.111 4.670 4.556 0.005 0.000 0.281 606 H C 1.506 176.887 175.328 0.089 0.000 0.990 606 H CA 1.119 57.200 56.048 0.056 0.000 1.278 606 H CB 0.313 30.102 29.762 0.045 0.000 1.451 606 H HN 0.261 nan 8.280 nan 0.000 0.516 607 V N 1.162 121.022 119.914 -0.090 0.000 3.141 607 V HA -0.104 4.019 4.120 0.005 0.000 0.265 607 V C 2.153 178.269 176.094 0.037 0.000 1.126 607 V CA 1.537 63.802 62.300 -0.058 0.000 1.141 607 V CB -0.328 31.532 31.823 0.063 0.000 0.743 607 V HN 0.371 nan 8.190 nan 0.000 0.492 608 E N 0.248 120.464 120.200 0.026 0.000 2.021 608 E HA -0.165 4.188 4.350 0.005 0.000 0.189 608 E C 2.258 178.884 176.600 0.043 0.000 0.980 608 E CA 0.585 57.018 56.400 0.054 0.000 0.803 608 E CB -0.088 29.639 29.700 0.044 0.000 0.766 608 E HN 0.477 nan 8.360 nan 0.000 0.449 609 Q N 0.232 120.037 119.800 0.008 0.000 2.515 609 Q HA -0.060 4.284 4.340 0.005 0.000 0.212 609 Q C 1.543 177.547 176.000 0.007 0.000 0.970 609 Q CA 0.439 56.248 55.803 0.009 0.000 0.941 609 Q CB 0.585 29.341 28.738 0.030 0.000 0.998 609 Q HN 0.220 nan 8.270 nan 0.000 0.518 610 V N -0.511 119.389 119.914 -0.024 0.000 2.690 610 V HA -0.124 3.999 4.120 0.005 0.000 0.240 610 V C 1.754 177.959 176.094 0.185 0.000 1.078 610 V CA 0.394 62.734 62.300 0.066 0.000 1.102 610 V CB -0.035 31.766 31.823 -0.037 0.000 0.800 610 V HN 0.211 nan 8.190 nan 0.000 0.479 611 L N -0.091 121.240 121.223 0.180 0.000 2.275 611 L HA 0.044 4.387 4.340 0.005 0.000 0.215 611 L C 1.803 178.779 176.870 0.177 0.000 1.119 611 L CA 1.481 56.451 54.840 0.216 0.000 0.790 611 L CB -0.934 41.298 42.059 0.288 0.000 0.919 611 L HN 0.252 nan 8.230 nan 0.000 0.443 612 L N -1.261 120.051 121.223 0.147 0.000 2.713 612 L HA -0.086 4.257 4.340 0.005 0.000 0.245 612 L C 1.581 178.551 176.870 0.167 0.000 1.169 612 L CA 0.128 55.042 54.840 0.123 0.000 0.962 612 L CB -0.388 41.715 42.059 0.074 0.000 1.161 612 L HN 0.363 nan 8.230 nan 0.000 0.427 613 H N -1.197 117.915 119.070 0.069 0.000 2.089 613 H HA 0.090 4.649 4.556 0.006 0.000 0.206 613 H C 1.756 177.124 175.328 0.068 0.000 0.872 613 H CA 0.345 56.428 56.048 0.058 0.000 0.979 613 H CB 0.592 30.392 29.762 0.062 0.000 1.266 613 H HN 0.066 nan 8.280 nan 0.000 0.389 614 Q N 0.894 120.784 119.800 0.150 0.000 2.488 614 Q HA -0.069 4.274 4.340 0.005 0.000 0.211 614 Q C 1.187 177.224 176.000 0.062 0.000 0.967 614 Q CA 0.932 56.811 55.803 0.127 0.000 0.926 614 Q CB 0.152 29.097 28.738 0.344 0.000 0.992 614 Q HN 0.752 nan 8.270 nan 0.000 0.506 615 Q N -1.535 118.324 119.800 0.098 0.000 2.360 615 Q HA 0.328 4.671 4.340 0.005 0.000 0.202 615 Q C 0.992 177.098 176.000 0.177 0.000 0.915 615 Q CA 0.692 56.653 55.803 0.263 0.000 0.943 615 Q CB 0.477 29.390 28.738 0.292 0.000 1.064 615 Q HN 0.126 nan 8.270 nan 0.000 0.511 616 A N 0.178 123.048 122.820 0.083 0.000 2.609 616 A HA 0.457 4.780 4.320 0.005 0.000 0.286 616 A C 0.803 178.344 177.584 -0.071 0.000 1.138 616 A CA -0.262 51.787 52.037 0.021 0.000 0.960 616 A CB 0.267 19.309 19.000 0.070 0.000 1.208 616 A HN 0.326 nan 8.150 nan 0.000 0.541 617 L N -2.910 118.212 121.223 -0.168 0.000 2.658 617 L HA 0.352 4.695 4.340 0.005 0.000 0.201 617 L C 0.247 176.895 176.870 -0.370 0.000 1.050 617 L CA 0.392 54.996 54.840 -0.393 0.000 0.893 617 L CB 0.105 41.701 42.059 -0.771 0.000 1.503 617 L HN 0.278 nan 8.230 nan 0.000 0.485 618 F N 1.535 121.496 119.950 0.019 0.000 2.983 618 F HA 0.486 5.014 4.527 0.003 0.000 0.307 618 F C 0.953 176.761 175.800 0.013 0.000 1.218 618 F CA -0.816 57.171 58.000 -0.022 0.000 1.323 618 F CB 0.010 39.013 39.000 0.004 0.000 0.989 618 F HN -0.108 nan 8.300 nan 0.000 0.509 619 G N -0.153 108.731 108.800 0.141 0.000 2.491 619 G HA2 0.227 4.190 3.960 0.005 0.000 0.327 619 G HA3 0.227 4.190 3.960 0.005 0.000 0.327 619 G C 0.815 175.630 174.900 -0.142 0.000 1.189 619 G CA -0.545 44.651 45.100 0.159 0.000 0.956 619 G HN 0.068 nan 8.290 nan 0.000 0.491 620 K N -0.503 119.621 120.400 -0.461 0.000 2.281 620 K HA -0.088 4.235 4.320 0.005 0.000 0.203 620 K C 1.379 177.874 176.600 -0.174 0.000 1.046 620 K CA 1.116 57.220 56.287 -0.305 0.000 0.938 620 K CB 0.047 32.324 32.500 -0.372 0.000 0.737 620 K HN 0.434 nan 8.250 nan 0.000 0.458 621 N N -0.350 118.256 118.700 -0.157 0.000 2.280 621 N HA 0.034 4.778 4.740 0.005 0.000 0.192 621 N C 0.111 175.576 175.510 -0.075 0.000 1.109 621 N CA -0.175 52.815 53.050 -0.099 0.000 0.855 621 N CB 0.782 39.215 38.487 -0.090 0.000 0.974 621 N HN 0.081 nan 8.380 nan 0.000 0.482 622 G N 0.652 109.407 108.800 -0.075 0.000 2.321 622 G HA2 -0.102 3.862 3.960 0.005 0.000 0.237 622 G HA3 -0.102 3.862 3.960 0.005 0.000 0.237 622 G C 0.730 175.593 174.900 -0.062 0.000 1.282 622 G CA -0.114 44.944 45.100 -0.070 0.000 0.886 622 G HN 0.105 nan 8.290 nan 0.000 0.528 623 K N 1.315 121.667 120.400 -0.080 0.000 2.097 623 K HA -0.059 4.264 4.320 0.005 0.000 0.206 623 K C 1.122 177.697 176.600 -0.042 0.000 1.049 623 K CA 1.198 57.450 56.287 -0.059 0.000 0.933 623 K CB 0.086 32.544 32.500 -0.069 0.000 0.717 623 K HN 0.451 nan 8.250 nan 0.000 0.442 624 N N -0.696 117.959 118.700 -0.074 0.000 2.538 624 N HA 0.082 4.825 4.740 0.005 0.000 0.291 624 N C -0.118 175.486 175.510 0.158 0.000 1.323 624 N CA -0.104 52.952 53.050 0.011 0.000 0.934 624 N CB 0.134 38.532 38.487 -0.148 0.000 1.255 624 N HN 0.066 nan 8.380 nan 0.000 0.509 625 c N 0.118 118.772 118.600 0.089 0.000 2.654 625 c HA 0.272 4.845 4.570 0.005 0.000 0.288 625 c C -0.617 173.509 174.090 0.061 0.000 1.578 625 c CA 0.046 56.435 56.329 0.100 0.000 1.941 625 c CB -0.256 42.267 42.510 0.023 0.000 1.856 625 c HN 0.224 nan 8.230 nan 0.000 0.706 626 P HA -0.025 nan 4.420 nan 0.000 0.219 626 P C 0.569 177.901 177.300 0.052 0.000 1.150 626 P CA 1.465 64.577 63.100 0.020 0.000 0.814 626 P CB -0.022 31.679 31.700 0.002 0.000 0.787 627 D N -0.851 119.589 120.400 0.066 0.000 2.188 627 D HA -0.050 4.593 4.640 0.005 0.000 0.239 627 D C 1.833 178.213 176.300 0.133 0.000 1.059 627 D CA 0.869 54.917 54.000 0.079 0.000 0.931 627 D CB -0.640 40.195 40.800 0.058 0.000 1.011 627 D HN -0.053 nan 8.370 nan 0.000 0.424 628 K N -0.856 119.645 120.400 0.169 0.000 2.020 628 K HA -0.153 4.171 4.320 0.005 0.000 0.212 628 K C -0.081 176.749 176.600 0.384 0.000 1.050 628 K CA 1.112 57.550 56.287 0.252 0.000 0.929 628 K CB 0.150 32.825 32.500 0.292 0.000 0.714 628 K HN 0.127 nan 8.250 nan 0.000 0.443 629 F N -1.065 119.042 119.950 0.262 0.000 2.655 629 F HA 0.193 4.722 4.527 0.004 0.000 0.324 629 F C -1.905 174.034 175.800 0.232 0.000 1.081 629 F CA -1.178 56.915 58.000 0.155 0.000 1.088 629 F CB 0.498 39.378 39.000 -0.199 0.000 1.327 629 F HN -0.175 nan 8.300 nan 0.000 0.522 630 c N 7.798 126.098 118.600 -0.500 0.000 2.203 630 c HA 0.330 4.903 4.570 0.005 0.000 0.325 630 c C 1.644 175.161 174.090 -0.955 0.000 1.156 630 c CA -0.648 55.398 56.329 -0.472 0.000 1.597 630 c CB -0.445 41.955 42.510 -0.183 0.000 2.148 630 c HN 0.966 nan 8.230 nan 0.000 0.472 631 L N 3.351 124.032 121.223 -0.904 0.000 2.551 631 L HA -0.062 4.281 4.340 0.005 0.000 0.230 631 L C 0.855 177.087 176.870 -1.064 0.000 1.163 631 L CA 1.940 56.126 54.840 -1.090 0.000 0.826 631 L CB -0.183 41.244 42.059 -1.052 0.000 0.943 631 L HN 0.762 nan 8.230 nan 0.000 0.452 632 F N -1.100 118.537 119.950 -0.520 0.000 2.680 632 F HA 0.169 4.698 4.527 0.004 0.000 0.290 632 F C 1.084 176.799 175.800 -0.143 0.000 1.114 632 F CA -0.618 57.210 58.000 -0.287 0.000 1.333 632 F CB 0.154 39.004 39.000 -0.250 0.000 1.091 632 F HN -0.226 nan 8.300 nan 0.000 0.606 633 K N 1.320 121.704 120.400 -0.028 0.000 2.298 633 K HA 0.300 4.623 4.320 0.005 0.000 0.280 633 K C -0.073 176.517 176.600 -0.016 0.000 1.032 633 K CA 0.088 56.362 56.287 -0.021 0.000 0.958 633 K CB 0.614 33.086 32.500 -0.048 0.000 0.978 633 K HN 0.071 nan 8.250 nan 0.000 0.472 634 S N 2.605 118.323 115.700 0.030 0.000 2.645 634 S HA 0.007 4.480 4.470 0.005 0.000 0.168 634 S C -0.968 173.667 174.600 0.059 0.000 0.988 634 S CA -0.810 57.417 58.200 0.046 0.000 1.132 634 S CB -0.166 63.067 63.200 0.055 0.000 1.691 634 S HN 0.721 nan 8.310 nan 0.000 0.457 635 E N 1.361 121.592 120.200 0.052 0.000 2.068 635 E HA -0.351 4.002 4.350 0.005 0.000 0.192 635 E C 0.117 176.762 176.600 0.076 0.000 1.358 635 E CA 1.447 57.881 56.400 0.056 0.000 0.696 635 E CB -3.016 26.715 29.700 0.052 0.000 1.065 635 E HN 1.595 nan 8.360 nan 0.000 0.327 636 T N -2.745 111.860 114.554 0.084 0.000 4.146 636 T HA -0.297 4.056 4.350 0.005 0.000 0.336 636 T C 0.551 175.342 174.700 0.152 0.000 0.762 636 T CA 1.954 64.125 62.100 0.118 0.000 1.914 636 T CB -1.601 67.334 68.868 0.112 0.000 1.897 636 T HN 0.655 nan 8.240 nan 0.000 0.862 637 K N 1.133 121.603 120.400 0.116 0.000 2.443 637 K HA 0.273 4.596 4.320 0.005 0.000 0.200 637 K C 0.018 176.660 176.600 0.071 0.000 1.278 637 K CA 0.418 56.765 56.287 0.100 0.000 0.925 637 K CB 0.543 33.095 32.500 0.086 0.000 1.225 637 K HN 0.312 nan 8.250 nan 0.000 0.514 638 N N 1.230 119.975 118.700 0.076 0.000 2.791 638 N HA -0.127 4.617 4.740 0.005 0.000 0.250 638 N C -1.544 173.996 175.510 0.050 0.000 1.082 638 N CA 0.666 53.761 53.050 0.074 0.000 0.680 638 N CB -1.823 36.714 38.487 0.085 0.000 0.918 638 N HN 0.201 nan 8.380 nan 0.000 0.555 639 L N 0.634 121.887 121.223 0.050 0.000 2.515 639 L HA 0.287 4.630 4.340 0.005 0.000 0.281 639 L C 1.470 178.335 176.870 -0.008 0.000 1.131 639 L CA -0.317 54.544 54.840 0.035 0.000 0.905 639 L CB -0.350 41.739 42.059 0.051 0.000 1.246 639 L HN 0.429 nan 8.230 nan 0.000 0.463 640 L N 0.281 121.464 121.223 -0.066 0.000 2.129 640 L HA -0.252 4.091 4.340 0.005 0.000 0.483 640 L C -0.139 176.455 176.870 -0.460 0.000 0.714 640 L CA 0.789 55.464 54.840 -0.276 0.000 3.307 640 L CB -1.496 40.291 42.059 -0.453 0.000 0.592 640 L HN 0.329 nan 8.230 nan 0.000 0.792 641 F N 1.412 121.357 119.950 -0.007 0.000 2.522 641 F HA 0.517 5.047 4.527 0.005 0.000 0.324 641 F C 0.833 176.706 175.800 0.122 0.000 1.077 641 F CA -1.018 57.007 58.000 0.043 0.000 0.944 641 F CB 0.643 39.563 39.000 -0.134 0.000 1.175 641 F HN -0.084 nan 8.300 nan 0.000 0.468 642 N N 2.308 121.260 118.700 0.420 0.000 2.394 642 N HA -0.088 4.655 4.740 0.005 0.000 0.277 642 N C 0.759 176.443 175.510 0.292 0.000 1.346 642 N CA 0.475 53.743 53.050 0.362 0.000 0.910 642 N CB 0.058 38.796 38.487 0.419 0.000 1.201 642 N HN 0.569 nan 8.380 nan 0.000 0.488 643 D N 2.136 122.664 120.400 0.215 0.000 2.292 643 D HA -0.181 4.462 4.640 0.005 0.000 0.205 643 D C 0.938 177.318 176.300 0.134 0.000 0.994 643 D CA 1.320 55.415 54.000 0.158 0.000 0.897 643 D CB 0.181 41.053 40.800 0.120 0.000 0.907 643 D HN 0.622 nan 8.370 nan 0.000 0.467 644 N N -0.969 117.822 118.700 0.152 0.000 2.132 644 N HA -0.049 4.694 4.740 0.005 0.000 0.187 644 N C 0.511 176.074 175.510 0.089 0.000 1.038 644 N CA 0.682 53.797 53.050 0.107 0.000 0.846 644 N CB -0.437 38.123 38.487 0.121 0.000 1.012 644 N HN -0.111 nan 8.380 nan 0.000 0.429 645 T N 0.998 115.653 114.554 0.168 0.000 2.903 645 T HA -0.127 4.226 4.350 0.005 0.000 0.299 645 T C 1.088 175.749 174.700 -0.066 0.000 1.041 645 T CA 0.579 62.761 62.100 0.137 0.000 1.138 645 T CB 0.743 69.798 68.868 0.311 0.000 1.040 645 T HN 0.249 nan 8.240 nan 0.000 0.524 646 E N 0.722 120.825 120.200 -0.162 0.000 2.045 646 E HA -0.010 4.343 4.350 0.005 0.000 0.190 646 E C 1.245 177.481 176.600 -0.606 0.000 0.968 646 E CA 0.855 57.040 56.400 -0.358 0.000 0.813 646 E CB 0.284 29.864 29.700 -0.200 0.000 0.780 646 E HN 0.890 nan 8.360 nan 0.000 0.455 647 c N -1.659 116.787 118.600 -0.256 0.000 3.680 647 c HA 0.724 5.297 4.570 0.005 0.000 0.341 647 c C -0.587 173.606 174.090 0.172 0.000 3.788 647 c CA -1.104 55.158 56.329 -0.113 0.000 1.552 647 c CB 0.175 42.639 42.510 -0.076 0.000 4.276 647 c HN 0.244 nan 8.230 nan 0.000 0.531 648 L N 1.624 122.948 121.223 0.167 0.000 2.529 648 L HA 0.602 4.945 4.340 0.005 0.000 0.258 648 L C 0.541 177.486 176.870 0.125 0.000 1.032 648 L CA -0.081 54.878 54.840 0.199 0.000 0.899 648 L CB 0.802 42.998 42.059 0.228 0.000 1.174 648 L HN 0.991 nan 8.230 nan 0.000 0.458 649 A N 1.972 124.853 122.820 0.101 0.000 2.429 649 A HA 0.342 4.665 4.320 0.005 0.000 0.242 649 A C 0.076 177.693 177.584 0.056 0.000 1.088 649 A CA -0.030 52.045 52.037 0.064 0.000 0.784 649 A CB 0.416 19.447 19.000 0.052 0.000 1.038 649 A HN 0.557 nan 8.150 nan 0.000 0.501 650 K N 0.400 120.821 120.400 0.034 0.000 2.234 650 K HA 0.463 4.786 4.320 0.005 0.000 0.282 650 K C 0.403 177.014 176.600 0.018 0.000 1.039 650 K CA 0.127 56.428 56.287 0.022 0.000 0.928 650 K CB 0.595 33.103 32.500 0.013 0.000 1.039 650 K HN 0.588 nan 8.250 nan 0.000 0.470 651 L N 2.538 123.762 121.223 0.001 0.000 2.354 651 L HA 0.250 4.593 4.340 0.005 0.000 0.212 651 L C 0.930 177.805 176.870 0.009 0.000 1.091 651 L CA 0.600 55.439 54.840 -0.001 0.000 0.828 651 L CB -0.271 41.727 42.059 -0.100 0.000 0.973 651 L HN 1.053 nan 8.230 nan 0.000 0.461 652 G N -0.810 107.991 108.800 0.001 0.000 2.760 652 G HA2 0.020 3.983 3.960 0.005 0.000 0.246 652 G HA3 0.020 3.983 3.960 0.005 0.000 0.246 652 G C 0.432 175.335 174.900 0.006 0.000 1.359 652 G CA -0.489 44.615 45.100 0.006 0.000 0.861 652 G HN 0.641 nan 8.290 nan 0.000 0.541 653 G N -0.494 108.312 108.800 0.009 0.000 2.551 653 G HA2 -0.076 3.887 3.960 0.005 0.000 0.383 653 G HA3 -0.076 3.887 3.960 0.005 0.000 0.383 653 G C 0.655 175.558 174.900 0.006 0.000 1.370 653 G CA 1.443 46.549 45.100 0.011 0.000 0.940 653 G HN 1.701 nan 8.290 nan 0.000 0.524 654 R N 0.484 120.989 120.500 0.009 0.000 2.642 654 R HA 0.235 4.578 4.340 0.005 0.000 0.435 654 R C -2.315 173.992 176.300 0.011 0.000 1.046 654 R CA -0.539 55.564 56.100 0.006 0.000 1.103 654 R CB 1.032 31.338 30.300 0.010 0.000 1.425 654 R HN 0.511 nan 8.270 nan 0.000 0.586 655 P HA -0.157 nan 4.420 nan 0.000 0.247 655 P C -0.043 177.287 177.300 0.049 0.000 1.115 655 P CA 0.988 64.113 63.100 0.041 0.000 0.799 655 P CB 0.189 31.937 31.700 0.081 0.000 0.721 656 T N 3.103 117.679 114.554 0.036 0.000 2.576 656 T HA -0.152 4.201 4.350 0.005 0.000 0.351 656 T C 1.373 176.122 174.700 0.082 0.000 1.066 656 T CA 0.583 62.714 62.100 0.052 0.000 1.046 656 T CB -0.111 68.770 68.868 0.021 0.000 0.999 656 T HN 0.514 nan 8.240 nan 0.000 0.544 657 Y N 0.179 120.530 120.300 0.086 0.000 2.081 657 Y HA -0.185 4.368 4.550 0.005 0.000 0.280 657 Y C 2.311 178.303 175.900 0.154 0.000 1.163 657 Y CA 1.953 60.129 58.100 0.127 0.000 1.135 657 Y CB -0.773 37.726 38.460 0.066 0.000 0.970 657 Y HN 0.711 nan 8.280 nan 0.000 0.498 658 E N 0.762 120.195 120.200 -1.278 0.000 2.035 658 E HA -0.256 4.097 4.350 0.005 0.000 0.204 658 E C 1.968 178.367 176.600 -0.336 0.000 1.025 658 E CA 2.178 57.974 56.400 -1.005 0.000 0.835 658 E CB -0.270 28.997 29.700 -0.722 0.000 0.764 658 E HN 0.585 nan 8.360 nan 0.000 0.457 659 K N -0.356 119.943 120.400 -0.168 0.000 2.574 659 K HA -0.138 4.185 4.320 0.005 0.000 0.193 659 K C 1.644 178.295 176.600 0.086 0.000 1.035 659 K CA 0.361 56.629 56.287 -0.031 0.000 0.982 659 K CB 0.005 32.502 32.500 -0.005 0.000 0.795 659 K HN 0.213 nan 8.250 nan 0.000 0.491 660 Y N 0.751 121.025 120.300 -0.043 0.000 2.301 660 Y HA 0.032 4.586 4.550 0.005 0.000 0.295 660 Y C 1.490 177.426 175.900 0.059 0.000 1.126 660 Y CA 0.533 58.646 58.100 0.022 0.000 1.154 660 Y CB -0.007 38.487 38.460 0.058 0.000 1.075 660 Y HN -0.136 nan 8.280 nan 0.000 0.534 661 L N 0.213 121.355 121.223 -0.134 0.000 2.265 661 L HA 0.073 4.416 4.340 0.005 0.000 0.215 661 L C 1.000 177.935 176.870 0.108 0.000 1.117 661 L CA 1.452 56.273 54.840 -0.033 0.000 0.782 661 L CB -1.743 40.323 42.059 0.011 0.000 0.914 661 L HN 0.472 nan 8.230 nan 0.000 0.441 662 G N -0.960 107.845 108.800 0.008 0.000 2.617 662 G HA2 -0.156 3.807 3.960 0.005 0.000 0.686 662 G HA3 -0.156 3.807 3.960 0.005 0.000 0.686 662 G C 0.349 175.254 174.900 0.009 0.000 1.214 662 G CA -0.218 44.907 45.100 0.042 0.000 0.796 662 G HN 0.017 nan 8.290 nan 0.000 0.654 663 T N -0.181 114.373 114.554 0.000 0.000 2.983 663 T HA 0.146 4.499 4.350 0.005 0.000 0.250 663 T C 1.836 176.527 174.700 -0.015 0.000 1.037 663 T CA 1.504 63.587 62.100 -0.029 0.000 1.142 663 T CB -0.059 68.795 68.868 -0.022 0.000 0.876 663 T HN 0.584 nan 8.240 nan 0.000 0.455 664 E N 0.587 120.799 120.200 0.020 0.000 2.049 664 E HA -0.207 4.146 4.350 0.005 0.000 0.198 664 E C 1.985 178.620 176.600 0.059 0.000 1.007 664 E CA 1.523 57.943 56.400 0.033 0.000 0.809 664 E CB -0.291 29.435 29.700 0.042 0.000 0.749 664 E HN 0.562 nan 8.360 nan 0.000 0.450 665 Y N 1.029 121.318 120.300 -0.019 0.000 2.333 665 Y HA -0.172 4.381 4.550 0.005 0.000 0.290 665 Y C 1.949 177.848 175.900 -0.002 0.000 1.144 665 Y CA 0.757 58.848 58.100 -0.015 0.000 1.228 665 Y CB -0.337 38.111 38.460 -0.020 0.000 0.985 665 Y HN -0.174 nan 8.280 nan 0.000 0.542 666 V N -0.161 119.556 119.914 -0.327 0.000 2.515 666 V HA -0.243 3.880 4.120 0.005 0.000 0.250 666 V C 1.976 177.981 176.094 -0.147 0.000 1.058 666 V CA 2.297 64.409 62.300 -0.313 0.000 1.064 666 V CB -0.969 30.750 31.823 -0.174 0.000 0.675 666 V HN 0.478 nan 8.190 nan 0.000 0.461 667 T N -0.011 114.495 114.554 -0.080 0.000 3.163 667 T HA 0.110 4.463 4.350 0.005 0.000 0.260 667 T C 1.703 176.381 174.700 -0.037 0.000 1.156 667 T CA 0.941 63.027 62.100 -0.022 0.000 1.072 667 T CB -0.023 68.844 68.868 -0.001 0.000 0.937 667 T HN 0.529 nan 8.240 nan 0.000 0.528 668 A N 1.229 123.997 122.820 -0.088 0.000 1.973 668 A HA 0.271 4.595 4.320 0.005 0.000 0.210 668 A C 2.111 179.621 177.584 -0.124 0.000 1.200 668 A CA 0.156 52.163 52.037 -0.049 0.000 0.707 668 A CB -0.227 18.814 19.000 0.068 0.000 0.862 668 A HN 0.519 nan 8.150 nan 0.000 0.461 669 I N -0.252 120.121 120.570 -0.328 0.000 2.193 669 I HA -0.126 4.047 4.170 0.005 0.000 0.240 669 I C 2.828 178.627 176.117 -0.529 0.000 1.084 669 I CA 1.112 62.064 61.300 -0.580 0.000 1.365 669 I CB -0.896 36.364 38.000 -1.234 0.000 1.064 669 I HN 0.228 nan 8.210 nan 0.000 0.410 670 A N 1.543 124.152 122.820 -0.352 0.000 1.917 670 A HA -0.259 4.064 4.320 0.005 0.000 0.219 670 A C 2.089 179.716 177.584 0.072 0.000 1.182 670 A CA 2.450 54.539 52.037 0.086 0.000 0.633 670 A CB -0.856 18.282 19.000 0.231 0.000 0.819 670 A HN 0.457 nan 8.150 nan 0.000 0.448 671 N N -0.794 117.922 118.700 0.028 0.000 2.457 671 N HA -0.033 4.710 4.740 0.005 0.000 0.180 671 N C 1.411 176.967 175.510 0.077 0.000 1.050 671 N CA 0.574 53.655 53.050 0.052 0.000 0.906 671 N CB -0.081 38.428 38.487 0.037 0.000 0.968 671 N HN 0.410 nan 8.380 nan 0.000 0.445 672 L N 0.805 122.066 121.223 0.064 0.000 2.130 672 L HA 0.127 4.471 4.340 0.005 0.000 0.200 672 L C 1.183 178.173 176.870 0.200 0.000 1.075 672 L CA 1.554 56.480 54.840 0.142 0.000 0.768 672 L CB -0.805 41.295 42.059 0.069 0.000 0.933 672 L HN -0.137 nan 8.230 nan 0.000 0.451 673 K N 1.257 121.734 120.400 0.128 0.000 2.633 673 K HA -0.140 4.183 4.320 0.005 0.000 0.193 673 K C 1.557 178.259 176.600 0.170 0.000 1.033 673 K CA 0.564 56.955 56.287 0.173 0.000 0.980 673 K CB -0.321 32.298 32.500 0.199 0.000 0.800 673 K HN 0.592 nan 8.250 nan 0.000 0.493 674 K N -0.834 119.658 120.400 0.153 0.000 2.486 674 K HA -0.011 4.312 4.320 0.005 0.000 0.194 674 K C 1.276 177.951 176.600 0.124 0.000 1.033 674 K CA 0.818 57.178 56.287 0.121 0.000 1.004 674 K CB -0.038 32.519 32.500 0.095 0.000 0.798 674 K HN -0.024 nan 8.250 nan 0.000 0.495 675 c N 0.332 119.042 118.600 0.183 0.000 2.700 675 c HA 0.207 4.780 4.570 0.005 0.000 0.297 675 c C 0.764 174.987 174.090 0.223 0.000 1.293 675 c CA -0.221 56.220 56.329 0.187 0.000 1.756 675 c CB -0.061 42.567 42.510 0.197 0.000 2.210 675 c HN 0.536 nan 8.230 nan 0.000 0.553 676 S N 0.042 115.889 115.700 0.245 0.000 2.736 676 S HA 0.384 4.857 4.470 0.005 0.000 0.285 676 S C -0.829 173.852 174.600 0.135 0.000 1.163 676 S CA 0.011 58.327 58.200 0.193 0.000 1.025 676 S CB 1.163 64.506 63.200 0.240 0.000 1.030 676 S HN 0.229 nan 8.310 nan 0.000 0.486 677 T N 3.193 117.805 114.554 0.096 0.000 2.875 677 T HA 0.364 4.717 4.350 0.005 0.000 0.307 677 T C 0.223 174.951 174.700 0.046 0.000 1.013 677 T CA -0.148 61.995 62.100 0.072 0.000 0.970 677 T CB -0.282 68.621 68.868 0.058 0.000 0.986 677 T HN 0.770 nan 8.240 nan 0.000 0.536 678 S N 5.282 121.009 115.700 0.045 0.000 2.533 678 S HA 0.235 4.708 4.470 0.005 0.000 0.282 678 S C -1.401 173.201 174.600 0.003 0.000 1.304 678 S CA -1.265 56.948 58.200 0.022 0.000 1.063 678 S CB 0.766 63.984 63.200 0.030 0.000 0.881 678 S HN 0.563 nan 8.310 nan 0.000 0.493 679 P HA 0.006 nan 4.420 nan 0.000 0.226 679 P C 1.120 178.394 177.300 -0.042 0.000 1.153 679 P CA 0.235 63.316 63.100 -0.031 0.000 0.777 679 P CB 0.159 31.835 31.700 -0.040 0.000 0.794 680 L N -1.618 119.583 121.223 -0.038 0.000 2.395 680 L HA 0.035 4.378 4.340 0.005 0.000 0.218 680 L C 1.541 178.385 176.870 -0.043 0.000 1.130 680 L CA 1.575 56.387 54.840 -0.047 0.000 0.826 680 L CB -0.852 41.177 42.059 -0.050 0.000 0.941 680 L HN -0.100 nan 8.230 nan 0.000 0.451 681 L N -1.262 119.942 121.223 -0.031 0.000 2.554 681 L HA 0.148 4.492 4.340 0.005 0.000 0.225 681 L C 2.121 178.982 176.870 -0.016 0.000 1.104 681 L CA 0.828 55.647 54.840 -0.035 0.000 0.866 681 L CB -0.177 41.870 42.059 -0.019 0.000 1.047 681 L HN 0.299 nan 8.230 nan 0.000 0.468 682 E N -0.407 119.783 120.200 -0.016 0.000 2.021 682 E HA 0.038 4.391 4.350 0.005 0.000 0.189 682 E C 1.129 177.726 176.600 -0.005 0.000 0.980 682 E CA 0.871 57.266 56.400 -0.009 0.000 0.803 682 E CB 0.055 29.736 29.700 -0.032 0.000 0.766 682 E HN 0.354 nan 8.360 nan 0.000 0.449 683 A N -0.450 122.332 122.820 -0.062 0.000 2.833 683 A HA 0.194 4.518 4.320 0.005 0.000 0.293 683 A C 0.953 178.533 177.584 -0.007 0.000 1.338 683 A CA -0.303 51.671 52.037 -0.106 0.000 0.959 683 A CB -0.238 18.586 19.000 -0.294 0.000 1.094 683 A HN 0.299 nan 8.150 nan 0.000 0.569 684 c N -1.980 116.637 118.600 0.028 0.000 2.800 684 c HA 0.457 5.030 4.570 0.005 0.000 0.379 684 c C 1.942 176.056 174.090 0.039 0.000 1.304 684 c CA 0.790 57.129 56.329 0.016 0.000 1.960 684 c CB 0.071 42.561 42.510 -0.033 0.000 2.599 684 c HN 0.707 nan 8.230 nan 0.000 0.578 685 A N -1.483 121.372 122.820 0.060 0.000 3.003 685 A HA 0.555 4.878 4.320 0.005 0.000 0.301 685 A C 0.321 177.977 177.584 0.120 0.000 1.280 685 A CA -0.091 51.975 52.037 0.048 0.000 0.973 685 A CB -0.497 18.506 19.000 0.006 0.000 1.110 685 A HN 0.593 nan 8.150 nan 0.000 0.590 686 F N -1.798 118.137 119.950 -0.026 0.000 2.938 686 F HA 0.300 4.830 4.527 0.005 0.000 0.370 686 F C 0.802 176.593 175.800 -0.015 0.000 0.981 686 F CA 0.179 58.172 58.000 -0.011 0.000 1.108 686 F CB 0.454 39.455 39.000 0.002 0.000 1.086 686 F HN 0.161 nan 8.300 nan 0.000 0.569 687 L N 0.693 122.059 121.223 0.238 0.000 2.492 687 L HA -0.006 4.338 4.340 0.005 0.000 0.223 687 L C 2.288 179.158 176.870 -0.001 0.000 1.132 687 L CA 1.538 56.455 54.840 0.127 0.000 0.850 687 L CB -0.147 41.966 42.059 0.090 0.000 0.966 687 L HN 0.372 nan 8.230 nan 0.000 0.454 688 T N -3.727 110.808 114.554 -0.032 0.000 3.057 688 T HA 0.200 4.553 4.350 0.005 0.000 0.254 688 T C 0.663 175.277 174.700 -0.144 0.000 1.094 688 T CA -0.192 61.859 62.100 -0.082 0.000 1.088 688 T CB 0.389 69.222 68.868 -0.058 0.000 0.934 688 T HN 0.147 nan 8.240 nan 0.000 0.497 689 R N 0.000 120.403 120.500 -0.161 0.000 2.786 689 R HA 0.000 4.343 4.340 0.005 0.000 0.208 689 R CA 0.000 55.956 56.100 -0.240 0.000 0.921 689 R CB 0.000 30.169 30.300 -0.217 0.000 0.687 689 R HN 0.000 nan 8.270 nan 0.000 0.535