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 1djq_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARDPKHDILF EPIQIGPKTL RNRFYQVPHA IGAGSDKPGF QSAHRSVKAE DATA SEQUENCE GGWAALNTEY CSINPESDDT HRLSARIWDE GDVRNLKAMT DEVHKYGALA DATA SEQUENCE GVELWYGGAH APNMESRATP RGPSQYASEF ETLSYCKEMD LSDIAQVQQF DATA SEQUENCE YVDAAKRSRD AGFDIVYVYG AHSYLPLQFL NPYYNKRTDK YGGSLENRAR DATA SEQUENCE FWLETLEKVK HAVGSDCAIA TRFGVDTVYG PGQIEAEVDG QKFVEMADSL DATA SEQUENCE VDMWDITIGD IAEWGEDAGP SRFYQQGHTI PWVKLVKQVS KKPVLGVGRY DATA SEQUENCE TDPEKMIEIV TKGYADIIGC ARPSIADPFL PQKVEQGRYD DIRVCIGCNV DATA SEQUENCE CISRWEIGGP PMICTQNATA GEEYRRGWHP EKFRQTKNKD SVLIVGAGPS DATA SEQUENCE GSEAARVLME SGYTVHLTDT AEKIGGHLNQ VAALPGLGEW SYHRDYRETQ DATA SEQUENCE ITKLLKKNKE SQLALGQKPM TADDVLQYGA DKVIIATGAR WNTDGTNCLT DATA SEQUENCE HDPIPGADAS LPDQLTPEQV MDGKKKIGKR VVILNADTYF MAPSLAEKLA DATA SEQUENCE TAGHEVTIVS GVHLANYMHF TLEYPNMMRR LHELHVEELG DHFCSRIEPG DATA SEQUENCE RMEIYNIWGD GSKRTYRGPG VSPRDANTSH RWIEFDSLVL VTGRHSECTL DATA SEQUENCE WNELKARESE WAENDIKGIY LIGDAEAPRL IADATFTGHR VAREIEEANP DATA SEQUENCE QIAIPYKRET IAWGTPHMPG GNFKIEYKV 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 0.000 177.588 177.584 0.006 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 1 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 2 R N 1.048 121.545 120.500 -0.005 0.000 2.491 2 R HA 0.249 4.591 4.340 0.005 0.000 0.283 2 R C -0.641 175.726 176.300 0.111 0.000 1.072 2 R CA -0.307 55.837 56.100 0.073 0.000 1.048 2 R CB 0.538 30.857 30.300 0.033 0.000 0.983 2 R HN 0.762 nan 8.270 nan 0.000 0.450 3 D N 4.879 125.382 120.400 0.171 0.000 2.417 3 D HA 0.032 4.675 4.640 0.005 0.000 0.250 3 D C -1.669 174.586 176.300 -0.074 0.000 1.166 3 D CA -1.934 52.041 54.000 -0.042 0.000 0.881 3 D CB 1.575 42.188 40.800 -0.311 0.000 1.164 3 D HN 0.355 nan 8.370 nan 0.000 0.467 4 P HA -0.164 nan 4.420 nan 0.000 0.217 4 P C 0.896 178.198 177.300 0.004 0.000 1.148 4 P CA 1.509 64.608 63.100 -0.001 0.000 0.828 4 P CB 0.212 31.908 31.700 -0.006 0.000 0.783 5 K N -1.509 118.846 120.400 -0.074 0.000 2.280 5 K HA -0.148 4.175 4.320 0.005 0.000 0.202 5 K C 1.543 178.218 176.600 0.125 0.000 1.047 5 K CA 1.091 57.365 56.287 -0.022 0.000 0.942 5 K CB -0.619 31.837 32.500 -0.072 0.000 0.739 5 K HN 0.498 nan 8.250 nan 0.000 0.457 6 H N 0.189 119.341 119.070 0.137 0.000 2.539 6 H HA 0.028 4.587 4.556 0.005 0.000 0.267 6 H C 0.868 176.363 175.328 0.278 0.000 0.982 6 H CA -0.502 55.669 56.048 0.206 0.000 1.146 6 H CB 0.304 30.258 29.762 0.319 0.000 1.382 6 H HN 0.159 nan 8.280 nan 0.000 0.577 7 D N 1.254 121.838 120.400 0.307 0.000 2.144 7 D HA -0.145 4.498 4.640 0.005 0.000 0.199 7 D C 2.235 178.688 176.300 0.254 0.000 0.984 7 D CA 0.931 55.106 54.000 0.293 0.000 0.834 7 D CB -0.142 40.754 40.800 0.161 0.000 0.955 7 D HN 0.601 nan 8.370 nan 0.000 0.465 8 I N -1.470 119.187 120.570 0.145 0.000 2.335 8 I HA -0.209 3.964 4.170 0.005 0.000 0.251 8 I C 1.999 178.104 176.117 -0.019 0.000 1.129 8 I CA 1.086 62.419 61.300 0.056 0.000 1.402 8 I CB -0.649 37.357 38.000 0.010 0.000 1.069 8 I HN -0.084 nan 8.210 nan 0.000 0.424 9 L N -0.155 121.021 121.223 -0.078 0.000 2.456 9 L HA -0.039 4.304 4.340 0.005 0.000 0.224 9 L C 1.267 177.795 176.870 -0.570 0.000 1.148 9 L CA 1.090 55.693 54.840 -0.395 0.000 0.825 9 L CB -0.454 41.301 42.059 -0.506 0.000 0.937 9 L HN 0.261 nan 8.230 nan 0.000 0.450 10 F N -0.734 119.275 119.950 0.100 0.000 2.654 10 F HA 0.200 4.730 4.527 0.005 0.000 0.303 10 F C 0.880 176.721 175.800 0.068 0.000 1.099 10 F CA -0.546 57.518 58.000 0.106 0.000 1.270 10 F CB 0.262 39.325 39.000 0.104 0.000 1.024 10 F HN -0.028 nan 8.300 nan 0.000 0.548 11 E N 3.378 123.648 120.200 0.117 0.000 2.301 11 E HA 0.174 4.527 4.350 0.005 0.000 0.275 11 E C -2.243 174.395 176.600 0.064 0.000 1.030 11 E CA -2.025 54.428 56.400 0.087 0.000 0.852 11 E CB 0.544 30.273 29.700 0.048 0.000 1.060 11 E HN -0.065 nan 8.360 nan 0.000 0.401 12 P HA 0.209 nan 4.420 nan 0.000 0.276 12 P C -0.755 176.571 177.300 0.042 0.000 1.244 12 P CA -0.132 63.006 63.100 0.064 0.000 0.801 12 P CB 1.163 32.902 31.700 0.066 0.000 1.006 13 I N 0.496 121.092 120.570 0.043 0.000 2.569 13 I HA 0.234 4.407 4.170 0.005 0.000 0.290 13 I C -0.810 175.327 176.117 0.034 0.000 1.088 13 I CA -1.058 60.259 61.300 0.029 0.000 1.047 13 I CB 2.425 40.432 38.000 0.012 0.000 1.237 13 I HN 0.177 nan 8.210 nan 0.000 0.421 14 Q N 7.469 127.283 119.800 0.024 0.000 2.288 14 Q HA 0.472 4.815 4.340 0.005 0.000 0.258 14 Q C -0.997 175.012 176.000 0.014 0.000 0.957 14 Q CA -0.075 55.742 55.803 0.022 0.000 0.919 14 Q CB 0.803 29.550 28.738 0.016 0.000 1.185 14 Q HN 0.548 nan 8.270 nan 0.000 0.408 15 I N 2.462 123.042 120.570 0.016 0.000 2.502 15 I HA 0.784 4.957 4.170 0.005 0.000 0.276 15 I C 0.649 176.762 176.117 -0.006 0.000 1.057 15 I CA -0.423 60.877 61.300 -0.001 0.000 1.163 15 I CB 0.727 38.728 38.000 0.001 0.000 1.288 15 I HN 0.760 nan 8.210 nan 0.000 0.479 16 G N 7.302 116.092 108.800 -0.016 0.000 2.591 16 G HA2 -0.277 3.686 3.960 0.005 0.000 0.298 16 G HA3 -0.277 3.686 3.960 0.005 0.000 0.298 16 G C -1.641 173.256 174.900 -0.004 0.000 1.195 16 G CA 0.301 45.391 45.100 -0.017 0.000 0.989 16 G HN 0.589 nan 8.290 nan 0.000 0.551 17 P HA 0.248 nan 4.420 nan 0.000 0.253 17 P C 0.085 177.393 177.300 0.014 0.000 1.260 17 P CA 0.778 63.880 63.100 0.004 0.000 0.800 17 P CB 0.315 32.015 31.700 0.001 0.000 1.162 18 K N -0.207 120.207 120.400 0.022 0.000 2.295 18 K HA 0.560 4.883 4.320 0.005 0.000 0.239 18 K C -0.238 176.388 176.600 0.044 0.000 0.991 18 K CA -0.385 55.925 56.287 0.038 0.000 0.845 18 K CB 1.591 34.125 32.500 0.057 0.000 1.197 18 K HN -0.251 nan 8.250 nan 0.000 0.441 19 T N 1.549 116.136 114.554 0.055 0.000 2.840 19 T HA 0.429 4.782 4.350 0.005 0.000 0.287 19 T C -0.018 174.734 174.700 0.087 0.000 0.991 19 T CA -0.653 61.483 62.100 0.061 0.000 0.964 19 T CB 0.797 69.695 68.868 0.050 0.000 0.954 19 T HN 0.228 nan 8.240 nan 0.000 0.438 20 L N 4.106 125.390 121.223 0.100 0.000 2.331 20 L HA 0.393 4.736 4.340 0.005 0.000 0.278 20 L C 2.103 179.043 176.870 0.117 0.000 1.106 20 L CA -0.691 54.230 54.840 0.135 0.000 0.824 20 L CB 1.023 43.178 42.059 0.160 0.000 1.142 20 L HN 0.727 nan 8.230 nan 0.000 0.443 21 R N 1.888 122.466 120.500 0.130 0.000 2.115 21 R HA -0.067 4.276 4.340 0.005 0.000 0.230 21 R C 0.076 176.461 176.300 0.142 0.000 1.111 21 R CA 1.122 57.298 56.100 0.126 0.000 0.976 21 R CB -0.309 30.069 30.300 0.130 0.000 0.870 21 R HN 0.806 nan 8.270 nan 0.000 0.445 22 N N -1.419 117.368 118.700 0.145 0.000 3.204 22 N HA 0.210 4.953 4.740 0.005 0.000 0.285 22 N C -0.539 174.998 175.510 0.045 0.000 1.536 22 N CA -1.151 51.961 53.050 0.104 0.000 0.832 22 N CB 0.679 39.264 38.487 0.162 0.000 1.645 22 N HN -0.221 nan 8.380 nan 0.000 0.586 23 R N -0.583 119.842 120.500 -0.125 0.000 2.335 23 R HA 0.285 4.628 4.340 0.005 0.000 0.223 23 R C -0.574 175.555 176.300 -0.285 0.000 0.940 23 R CA -0.052 55.919 56.100 -0.216 0.000 1.086 23 R CB -1.284 28.807 30.300 -0.348 0.000 1.073 23 R HN 0.468 nan 8.270 nan 0.000 0.504 24 F N 0.682 120.603 119.950 -0.048 0.000 2.391 24 F HA 0.245 4.775 4.527 0.005 0.000 0.359 24 F C 0.002 176.054 175.800 0.420 0.000 1.122 24 F CA -0.946 57.067 58.000 0.022 0.000 1.120 24 F CB 0.683 39.416 39.000 -0.445 0.000 1.142 24 F HN -0.085 nan 8.300 nan 0.000 0.483 25 Y N 3.820 124.458 120.300 0.564 0.000 2.373 25 Y HA 0.259 4.812 4.550 0.005 0.000 0.336 25 Y C -0.575 175.563 175.900 0.397 0.000 0.979 25 Y CA -0.924 57.453 58.100 0.462 0.000 1.080 25 Y CB 1.238 39.857 38.460 0.264 0.000 1.190 25 Y HN 0.490 nan 8.280 nan 0.000 0.446 26 Q N 7.066 126.857 119.800 -0.015 0.000 2.361 26 Q HA 0.378 4.721 4.340 0.005 0.000 0.250 26 Q C -0.548 175.374 176.000 -0.130 0.000 1.023 26 Q CA -0.543 55.138 55.803 -0.204 0.000 0.915 26 Q CB 0.653 29.135 28.738 -0.427 0.000 1.238 26 Q HN 0.745 nan 8.270 nan 0.000 0.451 27 V N 2.683 122.686 119.914 0.147 0.000 3.237 27 V HA 0.359 4.482 4.120 0.005 0.000 0.305 27 V C -2.368 173.742 176.094 0.027 0.000 1.096 27 V CA -1.649 60.778 62.300 0.212 0.000 1.130 27 V CB -0.109 31.867 31.823 0.256 0.000 1.048 27 V HN 0.666 nan 8.190 nan 0.000 0.484 28 P HA 0.300 nan 4.420 nan 0.000 0.264 28 P C -1.054 176.122 177.300 -0.207 0.000 1.193 28 P CA 0.750 63.693 63.100 -0.262 0.000 0.763 28 P CB -0.070 31.351 31.700 -0.466 0.000 0.810 29 H N 1.110 120.008 119.070 -0.286 0.000 3.085 29 H HA 0.710 5.269 4.556 0.005 0.000 0.356 29 H C -1.248 173.870 175.328 -0.349 0.000 1.178 29 H CA -1.276 54.578 56.048 -0.322 0.000 1.214 29 H CB 0.481 30.121 29.762 -0.202 0.000 1.881 29 H HN 0.379 nan 8.280 nan 0.000 0.538 30 A N 2.435 125.008 122.820 -0.412 0.000 2.425 30 A HA 0.479 4.802 4.320 0.005 0.000 0.242 30 A C 0.985 178.450 177.584 -0.197 0.000 1.077 30 A CA 0.159 51.948 52.037 -0.413 0.000 0.781 30 A CB -0.415 18.104 19.000 -0.803 0.000 1.020 30 A HN 1.109 nan 8.150 nan 0.000 0.494 31 I N -2.260 118.168 120.570 -0.237 0.000 4.620 31 I HA 0.504 4.677 4.170 0.005 0.000 0.347 31 I C 0.838 176.850 176.117 -0.175 0.000 1.302 31 I CA 0.275 61.432 61.300 -0.239 0.000 1.277 31 I CB 0.207 37.870 38.000 -0.563 0.000 1.566 31 I HN 1.199 nan 8.210 nan 0.000 0.547 32 G N 2.062 110.801 108.800 -0.103 0.000 2.171 32 G HA2 -0.154 3.809 3.960 0.005 0.000 0.238 32 G HA3 -0.154 3.809 3.960 0.005 0.000 0.238 32 G C 0.508 175.335 174.900 -0.123 0.000 1.039 32 G CA 0.449 45.545 45.100 -0.007 0.000 0.759 32 G HN 0.857 nan 8.290 nan 0.000 0.501 33 A N -1.315 121.297 122.820 -0.346 0.000 1.971 33 A HA 0.740 5.063 4.320 0.005 0.000 0.200 33 A C 2.599 180.035 177.584 -0.247 0.000 1.658 33 A CA 1.879 53.693 52.037 -0.372 0.000 0.962 33 A CB -0.443 18.089 19.000 -0.780 0.000 1.053 33 A HN 2.453 nan 8.150 nan 0.000 0.533 34 G N -0.213 108.429 108.800 -0.264 0.000 2.611 34 G HA2 -0.305 3.658 3.960 0.005 0.000 0.301 34 G HA3 -0.305 3.658 3.960 0.005 0.000 0.301 34 G C 0.807 175.584 174.900 -0.205 0.000 1.233 34 G CA 0.828 45.789 45.100 -0.231 0.000 0.993 34 G HN 1.053 nan 8.290 nan 0.000 0.553 35 S N 0.763 116.343 115.700 -0.200 0.000 2.578 35 S HA 0.271 4.744 4.470 0.005 0.000 0.231 35 S C 1.030 175.554 174.600 -0.125 0.000 0.994 35 S CA 0.901 59.010 58.200 -0.151 0.000 0.956 35 S CB 0.421 63.522 63.200 -0.166 0.000 0.870 35 S HN 0.521 nan 8.310 nan 0.000 0.494 36 D N 2.087 122.401 120.400 -0.143 0.000 2.271 36 D HA 0.097 4.740 4.640 0.005 0.000 0.206 36 D C 0.409 176.668 176.300 -0.067 0.000 0.967 36 D CA 0.798 54.732 54.000 -0.109 0.000 0.867 36 D CB 0.249 40.979 40.800 -0.115 0.000 0.960 36 D HN 0.229 nan 8.370 nan 0.000 0.509 37 K N 1.240 121.593 120.400 -0.079 0.000 2.679 37 K HA 0.176 4.499 4.320 0.005 0.000 0.188 37 K C -2.020 174.510 176.600 -0.117 0.000 1.055 37 K CA -1.284 54.971 56.287 -0.054 0.000 1.006 37 K CB 2.404 34.935 32.500 0.051 0.000 1.317 37 K HN -0.073 nan 8.250 nan 0.000 0.584 38 P HA -0.210 nan 4.420 nan 0.000 0.216 38 P C 1.297 178.445 177.300 -0.253 0.000 1.150 38 P CA 1.408 64.413 63.100 -0.158 0.000 0.837 38 P CB 0.360 31.993 31.700 -0.110 0.000 0.786 39 G N -0.401 108.092 108.800 -0.511 0.000 2.414 39 G HA2 -0.260 3.703 3.960 0.005 0.000 0.215 39 G HA3 -0.260 3.703 3.960 0.005 0.000 0.215 39 G C 1.569 176.153 174.900 -0.527 0.000 1.188 39 G CA 0.300 44.755 45.100 -1.074 0.000 0.783 39 G HN 0.272 nan 8.290 nan 0.000 0.537 40 F N 0.966 120.627 119.950 -0.482 0.000 2.069 40 F HA -0.203 4.327 4.527 0.005 0.000 0.298 40 F C 2.901 178.650 175.800 -0.085 0.000 1.113 40 F CA 1.783 59.696 58.000 -0.145 0.000 1.214 40 F CB 0.055 38.983 39.000 -0.120 0.000 0.978 40 F HN 0.263 nan 8.300 nan 0.000 0.474 41 Q N 1.201 120.941 119.800 -0.099 0.000 2.030 41 Q HA -0.238 4.105 4.340 0.005 0.000 0.204 41 Q C 2.288 178.257 176.000 -0.053 0.000 0.986 41 Q CA 3.032 58.722 55.803 -0.187 0.000 0.843 41 Q CB -0.465 28.153 28.738 -0.200 0.000 0.904 41 Q HN 0.519 nan 8.270 nan 0.000 0.420 42 S N -0.437 115.239 115.700 -0.041 0.000 2.368 42 S HA -0.041 4.432 4.470 0.005 0.000 0.224 42 S C 2.134 176.772 174.600 0.062 0.000 1.029 42 S CA 0.921 59.117 58.200 -0.007 0.000 0.988 42 S CB -0.831 62.357 63.200 -0.020 0.000 0.838 42 S HN 0.486 nan 8.310 nan 0.000 0.462 43 A N 1.937 124.834 122.820 0.130 0.000 1.877 43 A HA -0.127 4.196 4.320 0.005 0.000 0.216 43 A C 2.131 179.799 177.584 0.140 0.000 1.186 43 A CA 1.951 54.093 52.037 0.175 0.000 0.620 43 A CB -1.433 17.732 19.000 0.274 0.000 0.822 43 A HN 0.720 nan 8.150 nan 0.000 0.443 44 H N -0.313 118.838 119.070 0.136 0.000 2.353 44 H HA -0.065 4.494 4.556 0.005 0.000 0.300 44 H C 2.207 177.539 175.328 0.006 0.000 1.090 44 H CA 2.014 58.126 56.048 0.107 0.000 1.327 44 H CB 0.093 29.966 29.762 0.185 0.000 1.383 44 H HN 0.278 nan 8.280 nan 0.000 0.508 45 R N -0.100 120.375 120.500 -0.042 0.000 2.093 45 R HA -0.027 4.316 4.340 0.005 0.000 0.224 45 R C 2.584 178.819 176.300 -0.109 0.000 1.101 45 R CA 1.092 57.120 56.100 -0.120 0.000 0.979 45 R CB -0.746 29.508 30.300 -0.077 0.000 0.877 45 R HN 0.543 nan 8.270 nan 0.000 0.441 46 S N 1.343 117.013 115.700 -0.049 0.000 2.383 46 S HA -0.113 4.360 4.470 0.005 0.000 0.227 46 S C 2.262 176.762 174.600 -0.166 0.000 1.026 46 S CA 1.269 59.453 58.200 -0.026 0.000 0.981 46 S CB -0.953 62.306 63.200 0.098 0.000 0.818 46 S HN 0.186 nan 8.310 nan 0.000 0.472 47 V N 0.319 120.138 119.914 -0.159 0.000 2.594 47 V HA -0.079 4.044 4.120 0.005 0.000 0.253 47 V C 2.195 178.173 176.094 -0.192 0.000 1.069 47 V CA 1.772 63.968 62.300 -0.174 0.000 1.082 47 V CB -1.019 30.701 31.823 -0.171 0.000 0.680 47 V HN 0.409 nan 8.190 nan 0.000 0.469 48 K N 1.060 121.355 120.400 -0.176 0.000 2.116 48 K HA 0.176 4.499 4.320 0.005 0.000 0.203 48 K C 2.467 179.076 176.600 0.016 0.000 1.052 48 K CA 1.246 57.501 56.287 -0.053 0.000 0.952 48 K CB -0.415 31.947 32.500 -0.231 0.000 0.729 48 K HN 0.561 nan 8.250 nan 0.000 0.446 49 A N 1.789 124.572 122.820 -0.062 0.000 1.877 49 A HA -0.231 4.092 4.320 0.005 0.000 0.216 49 A C 2.080 179.594 177.584 -0.118 0.000 1.186 49 A CA 1.655 53.695 52.037 0.005 0.000 0.620 49 A CB -0.452 18.601 19.000 0.088 0.000 0.822 49 A HN 0.396 nan 8.150 nan 0.000 0.443 50 E N -0.443 119.510 120.200 -0.412 0.000 2.110 50 E HA -0.124 4.229 4.350 0.005 0.000 0.193 50 E C 1.806 178.032 176.600 -0.622 0.000 0.988 50 E CA 0.978 57.051 56.400 -0.545 0.000 0.804 50 E CB -0.401 28.868 29.700 -0.718 0.000 0.745 50 E HN 0.510 nan 8.360 nan 0.000 0.458 51 G N -0.758 107.466 108.800 -0.961 0.000 2.776 51 G HA2 0.067 4.030 3.960 0.005 0.000 0.209 51 G HA3 0.067 4.030 3.960 0.005 0.000 0.209 51 G C 1.031 175.557 174.900 -0.623 0.000 1.145 51 G CA 0.434 44.688 45.100 -1.410 0.000 0.791 51 G HN 0.536 nan 8.290 nan 0.000 0.530 52 G N -1.733 106.863 108.800 -0.339 0.000 2.195 52 G HA2 -0.232 3.731 3.960 0.005 0.000 0.224 52 G HA3 -0.232 3.731 3.960 0.005 0.000 0.224 52 G C 0.211 175.019 174.900 -0.153 0.000 0.990 52 G CA -0.306 44.662 45.100 -0.220 0.000 0.639 52 G HN 0.292 nan 8.290 nan 0.000 0.514 53 W N 0.925 122.168 121.300 -0.095 0.000 2.322 53 W HA 0.504 5.167 4.660 0.005 0.000 0.328 53 W C 1.519 178.071 176.519 0.054 0.000 1.395 53 W CA 0.326 57.678 57.345 0.010 0.000 1.267 53 W CB 0.690 30.138 29.460 -0.021 0.000 1.259 53 W HN 0.343 nan 8.180 nan 0.000 0.560 54 A N 3.535 126.550 122.820 0.324 0.000 1.933 54 A HA 0.258 4.580 4.320 0.005 0.000 0.218 54 A C 0.988 178.698 177.584 0.210 0.000 1.175 54 A CA 1.638 53.826 52.037 0.252 0.000 0.628 54 A CB -0.398 18.764 19.000 0.270 0.000 0.814 54 A HN 0.688 nan 8.150 nan 0.000 0.444 55 A N -0.989 121.929 122.820 0.164 0.000 2.486 55 A HA 0.621 4.944 4.320 0.005 0.000 0.300 55 A C -1.315 176.174 177.584 -0.158 0.000 1.048 55 A CA -0.478 51.550 52.037 -0.014 0.000 0.696 55 A CB 1.078 20.021 19.000 -0.094 0.000 1.278 55 A HN 0.179 nan 8.150 nan 0.000 0.405 56 L N 2.696 123.849 121.223 -0.116 0.000 2.356 56 L HA 0.517 4.860 4.340 0.005 0.000 0.277 56 L C -0.525 176.283 176.870 -0.104 0.000 0.996 56 L CA -0.481 54.271 54.840 -0.147 0.000 0.822 56 L CB 1.480 43.477 42.059 -0.102 0.000 1.256 56 L HN 0.739 nan 8.230 nan 0.000 0.413 57 N N 0.760 119.375 118.700 -0.143 0.000 2.384 57 N HA 0.512 5.255 4.740 0.005 0.000 0.301 57 N C 0.115 175.536 175.510 -0.147 0.000 1.133 57 N CA -0.285 52.719 53.050 -0.077 0.000 0.853 57 N CB 2.648 41.094 38.487 -0.067 0.000 1.241 57 N HN 0.644 nan 8.380 nan 0.000 0.502 58 T N -1.940 112.540 114.554 -0.124 0.000 2.771 58 T HA 0.176 4.529 4.350 0.005 0.000 0.290 58 T C 0.615 175.142 174.700 -0.287 0.000 1.005 58 T CA -0.577 61.408 62.100 -0.192 0.000 0.944 58 T CB 0.646 69.422 68.868 -0.152 0.000 1.147 58 T HN 0.478 nan 8.240 nan 0.000 0.534 59 E N 0.394 120.413 120.200 -0.301 0.000 2.602 59 E HA 0.136 4.489 4.350 0.005 0.000 0.255 59 E C -0.137 176.344 176.600 -0.199 0.000 1.268 59 E CA -0.977 55.248 56.400 -0.293 0.000 1.007 59 E CB 0.054 29.607 29.700 -0.245 0.000 1.208 59 E HN 0.868 nan 8.360 nan 0.000 0.584 60 Y N -1.535 118.434 120.300 -0.551 0.000 2.881 60 Y HA 0.100 4.653 4.550 0.004 0.000 0.335 60 Y C -0.071 175.658 175.900 -0.284 0.000 1.263 60 Y CA -1.180 56.620 58.100 -0.500 0.000 1.572 60 Y CB 0.202 38.228 38.460 -0.723 0.000 1.237 60 Y HN 0.300 nan 8.280 nan 0.000 0.568 61 C N 6.115 125.358 119.300 -0.096 0.000 2.293 61 C HA 0.360 4.823 4.460 0.005 0.000 0.323 61 C C 0.440 175.494 174.990 0.107 0.000 1.240 61 C CA -0.560 58.399 59.018 -0.100 0.000 1.497 61 C CB -0.295 27.366 27.740 -0.133 0.000 2.171 61 C HN 0.990 nan 8.230 nan 0.000 0.465 62 S N 4.468 120.255 115.700 0.146 0.000 2.544 62 S HA 0.091 4.564 4.470 0.005 0.000 0.290 62 S C 1.244 175.975 174.600 0.219 0.000 1.276 62 S CA -0.135 58.234 58.200 0.282 0.000 1.075 62 S CB 0.119 63.537 63.200 0.364 0.000 0.849 62 S HN 0.796 nan 8.310 nan 0.000 0.494 63 I N 2.287 122.911 120.570 0.090 0.000 3.419 63 I HA 0.325 4.498 4.170 0.005 0.000 0.286 63 I C 0.600 176.684 176.117 -0.056 0.000 1.268 63 I CA 0.108 61.428 61.300 0.034 0.000 1.414 63 I CB -0.066 37.849 38.000 -0.141 0.000 1.074 63 I HN 0.507 nan 8.210 nan 0.000 0.457 64 N N 0.653 119.252 118.700 -0.168 0.000 2.815 64 N HA 0.214 4.956 4.740 0.005 0.000 0.253 64 N C -2.578 172.401 175.510 -0.884 0.000 1.202 64 N CA -0.902 51.708 53.050 -0.734 0.000 0.925 64 N CB 2.109 39.967 38.487 -1.049 0.000 1.622 64 N HN -0.356 nan 8.380 nan 0.000 0.497 65 P HA -0.155 nan 4.420 nan 0.000 0.219 65 P C 0.620 177.586 177.300 -0.557 0.000 1.144 65 P CA 1.379 63.680 63.100 -1.332 0.000 0.806 65 P CB 0.077 31.038 31.700 -1.232 0.000 0.771 66 E N -1.504 118.422 120.200 -0.456 0.000 2.494 66 E HA 0.029 4.382 4.350 0.005 0.000 0.193 66 E C 0.353 176.709 176.600 -0.406 0.000 1.074 66 E CA 0.158 56.386 56.400 -0.287 0.000 0.867 66 E CB -0.213 29.416 29.700 -0.120 0.000 0.924 66 E HN -0.058 nan 8.360 nan 0.000 0.502 67 S N 0.997 116.410 115.700 -0.479 0.000 2.128 67 S HA 0.126 4.599 4.470 0.005 0.000 0.157 67 S C -1.471 172.978 174.600 -0.251 0.000 1.650 67 S CA -0.821 56.954 58.200 -0.708 0.000 1.269 67 S CB 0.374 62.834 63.200 -1.232 0.000 1.227 67 S HN 0.310 nan 8.310 nan 0.000 0.405 68 D N 1.318 121.709 120.400 -0.016 0.000 2.349 68 D HA 0.353 4.996 4.640 0.005 0.000 0.232 68 D C 0.451 176.903 176.300 0.253 0.000 1.071 68 D CA -0.408 53.722 54.000 0.218 0.000 0.832 68 D CB 1.539 42.454 40.800 0.191 0.000 1.086 68 D HN 0.178 nan 8.370 nan 0.000 0.504 69 D N 2.008 122.612 120.400 0.340 0.000 2.349 69 D HA 0.020 4.663 4.640 0.005 0.000 0.224 69 D C -0.116 176.275 176.300 0.150 0.000 1.029 69 D CA 0.281 54.468 54.000 0.311 0.000 0.879 69 D CB 0.116 41.100 40.800 0.307 0.000 0.906 69 D HN 0.386 nan 8.370 nan 0.000 0.528 70 T N -0.310 114.311 114.554 0.112 0.000 2.849 70 T HA -0.115 4.238 4.350 0.005 0.000 0.289 70 T C 1.317 176.105 174.700 0.147 0.000 1.010 70 T CA 0.412 62.562 62.100 0.083 0.000 1.161 70 T CB 0.326 69.240 68.868 0.076 0.000 0.989 70 T HN 0.443 nan 8.240 nan 0.000 0.523 71 H N 1.582 120.627 119.070 -0.041 0.000 2.547 71 H HA 0.186 4.744 4.556 0.004 0.000 0.272 71 H C 0.946 176.212 175.328 -0.103 0.000 0.989 71 H CA -0.118 55.888 56.048 -0.070 0.000 1.214 71 H CB 0.271 29.979 29.762 -0.091 0.000 1.389 71 H HN 0.347 nan 8.280 nan 0.000 0.577 72 R N 0.731 120.979 120.500 -0.420 0.000 2.560 72 R HA 0.291 4.634 4.340 0.005 0.000 0.270 72 R C -0.992 175.215 176.300 -0.154 0.000 1.074 72 R CA -0.935 54.879 56.100 -0.477 0.000 1.140 72 R CB 1.064 30.987 30.300 -0.628 0.000 1.073 72 R HN 0.162 nan 8.270 nan 0.000 0.527 73 L N 1.602 122.784 121.223 -0.068 0.000 2.272 73 L HA 0.297 4.640 4.340 0.005 0.000 0.289 73 L C -0.419 176.508 176.870 0.095 0.000 1.032 73 L CA 0.314 55.157 54.840 0.006 0.000 0.810 73 L CB 1.313 43.362 42.059 -0.016 0.000 1.205 73 L HN 0.772 nan 8.230 nan 0.000 0.422 74 S N 3.975 119.575 115.700 -0.167 0.000 2.689 74 S HA 0.961 5.434 4.470 0.005 0.000 0.306 74 S C -0.093 174.265 174.600 -0.402 0.000 1.104 74 S CA -0.395 57.490 58.200 -0.526 0.000 0.973 74 S CB 1.421 63.809 63.200 -1.354 0.000 1.121 74 S HN 0.930 nan 8.310 nan 0.000 0.523 75 A N 0.842 123.411 122.820 -0.419 0.000 2.296 75 A HA 0.773 5.096 4.320 0.005 0.000 0.264 75 A C 0.112 177.485 177.584 -0.352 0.000 1.097 75 A CA -0.690 51.157 52.037 -0.317 0.000 0.811 75 A CB 0.221 19.071 19.000 -0.251 0.000 1.072 75 A HN 0.852 nan 8.150 nan 0.000 0.495 76 R N -0.777 119.501 120.500 -0.372 0.000 2.604 76 R HA 0.507 4.849 4.340 0.005 0.000 0.281 76 R C -1.535 174.565 176.300 -0.333 0.000 1.020 76 R CA -0.514 55.265 56.100 -0.536 0.000 0.899 76 R CB 1.820 31.444 30.300 -1.126 0.000 1.205 76 R HN 0.543 nan 8.270 nan 0.000 0.450 77 I N 2.339 122.810 120.570 -0.166 0.000 2.976 77 I HA 0.235 4.408 4.170 0.005 0.000 0.328 77 I C -0.388 175.831 176.117 0.170 0.000 1.396 77 I CA -0.271 61.031 61.300 0.003 0.000 0.869 77 I CB 0.295 38.309 38.000 0.024 0.000 2.156 77 I HN 0.695 nan 8.210 nan 0.000 0.595 78 W N 1.296 122.578 121.300 -0.030 0.000 2.443 78 W HA 0.137 4.801 4.660 0.005 0.000 0.296 78 W C 0.768 177.273 176.519 -0.023 0.000 1.202 78 W CA 0.466 57.779 57.345 -0.053 0.000 1.312 78 W CB -0.718 28.705 29.460 -0.062 0.000 1.120 78 W HN 0.447 nan 8.180 nan 0.000 0.536 79 D N -2.827 117.721 120.400 0.246 0.000 2.895 79 D HA 0.130 4.773 4.640 0.005 0.000 0.320 79 D C 0.546 176.900 176.300 0.091 0.000 1.249 79 D CA -0.452 53.639 54.000 0.152 0.000 0.997 79 D CB 0.544 41.443 40.800 0.165 0.000 1.430 79 D HN -0.305 nan 8.370 nan 0.000 0.558 80 E N -0.327 119.903 120.200 0.049 0.000 2.150 80 E HA 0.092 4.445 4.350 0.005 0.000 0.193 80 E C 2.047 178.616 176.600 -0.051 0.000 0.985 80 E CA 1.572 57.975 56.400 0.006 0.000 0.814 80 E CB -0.650 29.047 29.700 -0.005 0.000 0.752 80 E HN 0.579 nan 8.360 nan 0.000 0.466 81 G N 1.124 109.858 108.800 -0.111 0.000 2.422 81 G HA2 -0.271 3.692 3.960 0.005 0.000 0.218 81 G HA3 -0.271 3.692 3.960 0.005 0.000 0.218 81 G C 1.144 175.942 174.900 -0.169 0.000 1.146 81 G CA 1.007 45.877 45.100 -0.382 0.000 0.769 81 G HN 0.154 nan 8.290 nan 0.000 0.547 82 D N 0.203 120.620 120.400 0.028 0.000 2.117 82 D HA -0.066 4.577 4.640 0.005 0.000 0.198 82 D C 2.786 179.101 176.300 0.024 0.000 0.982 82 D CA 0.557 54.582 54.000 0.043 0.000 0.828 82 D CB -0.406 40.402 40.800 0.013 0.000 0.967 82 D HN 0.171 nan 8.370 nan 0.000 0.464 83 V N 1.418 121.350 119.914 0.029 0.000 2.332 83 V HA -0.260 3.863 4.120 0.005 0.000 0.248 83 V C 2.614 178.708 176.094 0.002 0.000 1.055 83 V CA 1.754 64.078 62.300 0.040 0.000 1.038 83 V CB -0.445 31.402 31.823 0.040 0.000 0.651 83 V HN 0.173 nan 8.190 nan 0.000 0.450 84 R N 0.276 120.757 120.500 -0.032 0.000 2.070 84 R HA -0.204 4.139 4.340 0.005 0.000 0.232 84 R C 2.202 178.475 176.300 -0.046 0.000 1.138 84 R CA 2.302 58.373 56.100 -0.049 0.000 0.936 84 R CB -0.406 29.846 30.300 -0.081 0.000 0.839 84 R HN 0.506 nan 8.270 nan 0.000 0.429 85 N N 0.743 119.419 118.700 -0.041 0.000 2.104 85 N HA -0.152 4.591 4.740 0.005 0.000 0.190 85 N C 1.809 177.296 175.510 -0.039 0.000 1.024 85 N CA 1.328 54.359 53.050 -0.033 0.000 0.853 85 N CB -0.265 38.220 38.487 -0.004 0.000 1.008 85 N HN 0.268 nan 8.380 nan 0.000 0.424 86 L N 0.418 121.634 121.223 -0.013 0.000 2.217 86 L HA -0.041 4.302 4.340 0.005 0.000 0.211 86 L C 2.229 179.038 176.870 -0.103 0.000 1.107 86 L CA 0.751 55.595 54.840 0.006 0.000 0.783 86 L CB -0.216 41.943 42.059 0.167 0.000 0.919 86 L HN 0.168 nan 8.230 nan 0.000 0.442 87 K N 0.609 120.946 120.400 -0.105 0.000 2.147 87 K HA -0.157 4.166 4.320 0.005 0.000 0.205 87 K C 2.135 178.651 176.600 -0.140 0.000 1.049 87 K CA 1.078 57.272 56.287 -0.155 0.000 0.936 87 K CB -0.023 32.422 32.500 -0.091 0.000 0.722 87 K HN 0.265 nan 8.250 nan 0.000 0.446 88 A N 1.325 124.087 122.820 -0.096 0.000 1.978 88 A HA -0.210 4.113 4.320 0.005 0.000 0.220 88 A C 2.094 179.624 177.584 -0.090 0.000 1.170 88 A CA 1.648 53.641 52.037 -0.073 0.000 0.636 88 A CB -0.510 18.454 19.000 -0.060 0.000 0.810 88 A HN 0.438 nan 8.150 nan 0.000 0.448 89 M N 0.382 119.907 119.600 -0.126 0.000 2.193 89 M HA -0.100 4.383 4.480 0.005 0.000 0.265 89 M C 2.281 178.442 176.300 -0.232 0.000 1.071 89 M CA 2.417 57.635 55.300 -0.137 0.000 1.140 89 M CB -1.002 31.531 32.600 -0.110 0.000 1.369 89 M HN 0.606 nan 8.290 nan 0.000 0.423 90 T N -1.684 112.643 114.554 -0.379 0.000 2.821 90 T HA -0.118 4.235 4.350 0.005 0.000 0.267 90 T C 1.415 175.783 174.700 -0.555 0.000 1.046 90 T CA 1.541 63.276 62.100 -0.609 0.000 1.139 90 T CB -0.552 67.866 68.868 -0.749 0.000 0.871 90 T HN 0.257 nan 8.240 nan 0.000 0.454 91 D N 1.235 121.492 120.400 -0.238 0.000 2.097 91 D HA -0.053 4.590 4.640 0.005 0.000 0.195 91 D C 2.226 178.497 176.300 -0.050 0.000 0.989 91 D CA 1.269 55.229 54.000 -0.067 0.000 0.827 91 D CB -0.412 40.367 40.800 -0.035 0.000 0.966 91 D HN 0.421 nan 8.370 nan 0.000 0.456 92 E N 0.098 120.269 120.200 -0.048 0.000 2.150 92 E HA -0.076 4.277 4.350 0.005 0.000 0.193 92 E C 2.017 178.674 176.600 0.096 0.000 0.985 92 E CA 0.259 56.684 56.400 0.041 0.000 0.814 92 E CB -0.064 29.678 29.700 0.069 0.000 0.752 92 E HN 0.025 nan 8.360 nan 0.000 0.466 93 V N -0.171 119.726 119.914 -0.028 0.000 2.453 93 V HA -0.213 3.910 4.120 0.005 0.000 0.247 93 V C 1.635 177.765 176.094 0.060 0.000 1.048 93 V CA 1.962 64.264 62.300 0.003 0.000 1.049 93 V CB -0.470 31.275 31.823 -0.131 0.000 0.672 93 V HN 0.416 nan 8.190 nan 0.000 0.457 94 H N -0.225 118.856 119.070 0.018 0.000 2.423 94 H HA -0.157 4.402 4.556 0.005 0.000 0.297 94 H C 2.353 177.661 175.328 -0.034 0.000 1.075 94 H CA 1.420 57.465 56.048 -0.005 0.000 1.342 94 H CB 0.098 29.838 29.762 -0.035 0.000 1.395 94 H HN 0.304 nan 8.280 nan 0.000 0.530 95 K N 0.859 121.276 120.400 0.028 0.000 2.160 95 K HA -0.201 4.122 4.320 0.005 0.000 0.206 95 K C 0.270 176.638 176.600 -0.386 0.000 1.047 95 K CA 1.489 57.645 56.287 -0.218 0.000 0.930 95 K CB 0.024 32.308 32.500 -0.360 0.000 0.720 95 K HN 0.387 nan 8.250 nan 0.000 0.450 96 Y N -0.314 120.020 120.300 0.056 0.000 2.683 96 Y HA 0.267 4.820 4.550 0.005 0.000 0.297 96 Y C 1.036 176.967 175.900 0.052 0.000 1.147 96 Y CA 0.044 58.171 58.100 0.046 0.000 1.274 96 Y CB 0.790 39.269 38.460 0.032 0.000 1.143 96 Y HN 0.269 nan 8.280 nan 0.000 0.527 97 G N 0.186 109.066 108.800 0.134 0.000 2.168 97 G HA2 -0.209 3.754 3.960 0.005 0.000 0.257 97 G HA3 -0.209 3.754 3.960 0.005 0.000 0.257 97 G C 0.321 175.308 174.900 0.145 0.000 0.997 97 G CA 0.200 45.371 45.100 0.120 0.000 0.708 97 G HN 0.676 nan 8.290 nan 0.000 0.520 98 A N -0.828 122.097 122.820 0.176 0.000 2.269 98 A HA 0.899 5.222 4.320 0.005 0.000 0.327 98 A C 0.394 178.097 177.584 0.199 0.000 1.112 98 A CA -0.679 51.458 52.037 0.166 0.000 0.865 98 A CB 0.951 20.038 19.000 0.146 0.000 1.227 98 A HN 0.699 nan 8.150 nan 0.000 0.498 99 L N 0.229 121.553 121.223 0.168 0.000 2.379 99 L HA 0.642 4.985 4.340 0.005 0.000 0.269 99 L C 0.465 177.403 176.870 0.115 0.000 1.084 99 L CA -0.510 54.440 54.840 0.185 0.000 0.802 99 L CB 1.556 43.717 42.059 0.170 0.000 1.175 99 L HN 0.771 nan 8.230 nan 0.000 0.448 100 A N 0.955 123.851 122.820 0.128 0.000 2.342 100 A HA 0.841 5.163 4.320 0.005 0.000 0.323 100 A C -0.234 177.558 177.584 0.347 0.000 1.125 100 A CA -0.303 51.800 52.037 0.110 0.000 0.785 100 A CB 1.589 20.501 19.000 -0.146 0.000 1.221 100 A HN 0.767 nan 8.150 nan 0.000 0.463 101 G N -0.573 108.443 108.800 0.359 0.000 2.574 101 G HA2 0.631 4.594 3.960 0.005 0.000 0.299 101 G HA3 0.631 4.594 3.960 0.005 0.000 0.299 101 G C -1.579 173.342 174.900 0.034 0.000 1.298 101 G CA -0.538 44.737 45.100 0.292 0.000 0.952 101 G HN 1.454 nan 8.290 nan 0.000 0.477 102 V N -0.104 119.660 119.914 -0.250 0.000 2.789 102 V HA 0.658 4.780 4.120 0.005 0.000 0.311 102 V C -0.823 175.214 176.094 -0.094 0.000 1.073 102 V CA -0.868 61.131 62.300 -0.502 0.000 0.921 102 V CB 1.928 33.034 31.823 -1.195 0.000 1.009 102 V HN 0.816 nan 8.190 nan 0.000 0.426 103 E N 6.006 126.125 120.200 -0.135 0.000 2.028 103 E HA 0.370 4.723 4.350 0.005 0.000 0.266 103 E C -0.764 175.874 176.600 0.062 0.000 0.962 103 E CA -0.534 55.812 56.400 -0.089 0.000 0.784 103 E CB 0.733 30.167 29.700 -0.444 0.000 1.114 103 E HN 0.705 nan 8.360 nan 0.000 0.414 104 L N 4.956 126.307 121.223 0.212 0.000 2.562 104 L HA 0.069 4.412 4.340 0.005 0.000 0.271 104 L C -0.268 176.891 176.870 0.482 0.000 1.167 104 L CA 0.239 55.253 54.840 0.290 0.000 0.917 104 L CB -0.063 42.208 42.059 0.353 0.000 1.187 104 L HN 0.556 nan 8.230 nan 0.000 0.482 105 W N 6.203 127.593 121.300 0.151 0.000 2.702 105 W HA 0.448 5.112 4.660 0.005 0.000 0.331 105 W C -1.593 174.952 176.519 0.044 0.000 1.049 105 W CA -0.988 56.468 57.345 0.185 0.000 1.230 105 W CB 1.075 30.635 29.460 0.166 0.000 1.408 105 W HN 0.254 nan 8.180 nan 0.000 0.492 106 Y N 4.970 124.829 120.300 -0.734 0.000 2.331 106 Y HA 0.476 5.028 4.550 0.003 0.000 0.326 106 Y C 0.649 175.962 175.900 -0.979 0.000 1.020 106 Y CA -0.250 57.323 58.100 -0.878 0.000 1.136 106 Y CB 2.133 40.370 38.460 -0.371 0.000 1.157 106 Y HN 0.633 nan 8.280 nan 0.000 0.444 107 G N 2.738 110.637 108.800 -1.502 0.000 2.939 107 G HA2 0.393 4.356 3.960 0.005 0.000 0.210 107 G HA3 0.393 4.356 3.960 0.005 0.000 0.210 107 G C 0.794 175.664 174.900 -0.050 0.000 1.160 107 G CA 0.402 45.215 45.100 -0.478 0.000 0.770 107 G HN 1.381 nan 8.290 nan 0.000 0.543 108 G N 0.021 108.677 108.800 -0.240 0.000 2.552 108 G HA2 0.063 4.025 3.960 0.005 0.000 0.265 108 G HA3 0.063 4.025 3.960 0.005 0.000 0.265 108 G C 1.301 176.122 174.900 -0.131 0.000 1.234 108 G CA 0.661 45.728 45.100 -0.056 0.000 0.944 108 G HN 1.177 nan 8.290 nan 0.000 0.568 109 A N -1.385 121.324 122.820 -0.184 0.000 2.209 109 A HA 0.159 4.481 4.320 0.005 0.000 0.212 109 A C 1.812 179.450 177.584 0.090 0.000 1.158 109 A CA 2.002 53.932 52.037 -0.178 0.000 0.742 109 A CB -0.568 18.127 19.000 -0.509 0.000 0.790 109 A HN 0.754 nan 8.150 nan 0.000 0.472 110 H N 0.145 119.393 119.070 0.297 0.000 2.491 110 H HA 0.150 4.710 4.556 0.005 0.000 0.290 110 H C 1.135 176.740 175.328 0.461 0.000 1.050 110 H CA 0.442 56.770 56.048 0.467 0.000 1.309 110 H CB -0.383 29.753 29.762 0.624 0.000 1.392 110 H HN 0.462 nan 8.280 nan 0.000 0.554 111 A N 2.854 125.919 122.820 0.408 0.000 2.269 111 A HA 0.250 4.572 4.320 0.005 0.000 0.302 111 A C -1.285 176.395 177.584 0.160 0.000 1.266 111 A CA -1.261 50.967 52.037 0.319 0.000 0.894 111 A CB 0.762 19.812 19.000 0.083 0.000 1.147 111 A HN 0.057 nan 8.150 nan 0.000 0.537 112 P HA -0.072 nan 4.420 nan 0.000 0.233 112 P C -0.243 177.087 177.300 0.049 0.000 1.167 112 P CA 0.230 63.380 63.100 0.083 0.000 0.770 112 P CB -0.096 31.648 31.700 0.072 0.000 0.837 113 N N -0.838 117.898 118.700 0.060 0.000 2.727 113 N HA -0.176 4.567 4.740 0.005 0.000 0.249 113 N C 0.770 176.298 175.510 0.029 0.000 1.048 113 N CA 0.691 53.759 53.050 0.030 0.000 0.714 113 N CB -2.027 36.447 38.487 -0.023 0.000 0.959 113 N HN 0.344 nan 8.380 nan 0.000 0.544 114 M N -0.797 118.831 119.600 0.047 0.000 2.476 114 M HA -0.092 4.391 4.480 0.005 0.000 0.262 114 M C 1.947 178.266 176.300 0.031 0.000 1.079 114 M CA 1.248 56.566 55.300 0.030 0.000 1.104 114 M CB 0.034 32.650 32.600 0.027 0.000 1.409 114 M HN 0.306 nan 8.290 nan 0.000 0.467 115 E N 0.282 120.513 120.200 0.052 0.000 2.079 115 E HA -0.115 4.238 4.350 0.005 0.000 0.191 115 E C 2.044 178.671 176.600 0.044 0.000 0.961 115 E CA 1.278 57.712 56.400 0.056 0.000 0.823 115 E CB 0.178 29.932 29.700 0.090 0.000 0.789 115 E HN 0.418 nan 8.360 nan 0.000 0.459 116 S N 0.271 115.995 115.700 0.040 0.000 2.383 116 S HA -0.112 4.361 4.470 0.005 0.000 0.227 116 S C 1.091 175.668 174.600 -0.038 0.000 1.026 116 S CA 0.982 59.169 58.200 -0.021 0.000 0.981 116 S CB -0.252 62.891 63.200 -0.096 0.000 0.818 116 S HN 0.381 nan 8.310 nan 0.000 0.472 117 R N 0.100 120.584 120.500 -0.027 0.000 3.963 117 R HA -0.135 4.207 4.340 0.005 0.000 0.394 117 R C 0.392 176.666 176.300 -0.045 0.000 1.131 117 R CA 0.445 56.528 56.100 -0.029 0.000 1.059 117 R CB -2.769 27.518 30.300 -0.022 0.000 1.614 117 R HN 0.647 nan 8.270 nan 0.000 0.546 118 A N 0.819 123.599 122.820 -0.067 0.000 2.313 118 A HA 0.479 4.802 4.320 0.005 0.000 0.261 118 A C 0.525 178.071 177.584 -0.062 0.000 1.090 118 A CA 0.166 52.156 52.037 -0.077 0.000 0.807 118 A CB 0.451 19.377 19.000 -0.122 0.000 1.055 118 A HN 0.140 nan 8.150 nan 0.000 0.492 119 T N 3.465 117.989 114.554 -0.050 0.000 2.744 119 T HA 0.515 4.867 4.350 0.005 0.000 0.291 119 T C -2.415 172.264 174.700 -0.034 0.000 0.957 119 T CA -0.749 61.328 62.100 -0.040 0.000 1.002 119 T CB 0.935 69.784 68.868 -0.031 0.000 0.919 119 T HN 0.579 nan 8.240 nan 0.000 0.468 120 P HA 0.377 nan 4.420 nan 0.000 0.277 120 P C -0.583 176.721 177.300 0.007 0.000 1.240 120 P CA -0.739 62.330 63.100 -0.052 0.000 0.798 120 P CB 1.253 32.872 31.700 -0.136 0.000 0.979 121 R N 0.310 120.889 120.500 0.132 0.000 2.711 121 R HA 0.787 5.130 4.340 0.005 0.000 0.284 121 R C 0.208 176.537 176.300 0.048 0.000 0.968 121 R CA -0.654 55.483 56.100 0.063 0.000 0.924 121 R CB 2.163 32.497 30.300 0.057 0.000 1.162 121 R HN 0.688 nan 8.270 nan 0.000 0.465 122 G N 0.708 109.470 108.800 -0.063 0.000 2.708 122 G HA2 0.351 4.313 3.960 0.005 0.000 0.289 122 G HA3 0.351 4.313 3.960 0.005 0.000 0.289 122 G C -2.334 172.404 174.900 -0.271 0.000 1.416 122 G CA -1.062 43.962 45.100 -0.126 0.000 0.829 122 G HN 0.290 nan 8.290 nan 0.000 0.480 123 P HA 0.004 nan 4.420 nan 0.000 0.216 123 P C 0.600 177.731 177.300 -0.281 0.000 1.150 123 P CA 0.962 63.583 63.100 -0.800 0.000 0.837 123 P CB 0.395 31.320 31.700 -1.291 0.000 0.786 124 S N -1.737 113.888 115.700 -0.125 0.000 2.618 124 S HA 0.295 4.767 4.470 0.005 0.000 0.277 124 S C -0.910 173.731 174.600 0.067 0.000 1.138 124 S CA -0.669 57.524 58.200 -0.011 0.000 0.844 124 S CB 2.062 65.268 63.200 0.009 0.000 1.127 124 S HN -0.013 nan 8.310 nan 0.000 0.474 125 Q N 1.260 121.083 119.800 0.038 0.000 2.288 125 Q HA 0.491 4.834 4.340 0.005 0.000 0.258 125 Q C -1.580 174.478 176.000 0.096 0.000 0.957 125 Q CA -0.181 55.627 55.803 0.008 0.000 0.919 125 Q CB 0.273 29.019 28.738 0.014 0.000 1.185 125 Q HN 0.702 nan 8.270 nan 0.000 0.408 126 Y N 0.648 120.949 120.300 0.002 0.000 2.638 126 Y HA 0.771 5.321 4.550 -0.000 0.000 0.335 126 Y C -1.708 174.088 175.900 -0.173 0.000 1.155 126 Y CA -1.373 56.692 58.100 -0.058 0.000 1.046 126 Y CB 0.793 39.201 38.460 -0.087 0.000 1.303 126 Y HN 0.546 nan 8.280 nan 0.000 0.460 127 A N 1.779 124.445 122.820 -0.256 0.000 2.276 127 A HA 0.559 4.882 4.320 0.005 0.000 0.316 127 A C 0.029 177.585 177.584 -0.045 0.000 1.229 127 A CA -0.460 51.170 52.037 -0.678 0.000 0.851 127 A CB 0.555 18.908 19.000 -1.078 0.000 1.165 127 A HN 0.880 nan 8.150 nan 0.000 0.513 128 S N 1.156 116.890 115.700 0.057 0.000 2.558 128 S HA 0.007 4.480 4.470 0.005 0.000 0.293 128 S C 1.414 176.182 174.600 0.279 0.000 1.292 128 S CA 0.383 58.824 58.200 0.401 0.000 1.063 128 S CB 0.348 63.827 63.200 0.464 0.000 0.831 128 S HN 0.757 nan 8.310 nan 0.000 0.499 129 E N 5.150 125.564 120.200 0.357 0.000 2.427 129 E HA -0.112 4.241 4.350 0.005 0.000 0.196 129 E C 1.291 178.056 176.600 0.275 0.000 1.028 129 E CA 0.692 57.233 56.400 0.235 0.000 0.864 129 E CB -0.261 29.574 29.700 0.225 0.000 0.813 129 E HN 0.823 nan 8.360 nan 0.000 0.514 130 F N 1.549 121.582 119.950 0.140 0.000 2.298 130 F HA 0.136 4.665 4.527 0.003 0.000 0.282 130 F C 0.917 176.769 175.800 0.087 0.000 1.045 130 F CA 0.121 58.171 58.000 0.083 0.000 1.280 130 F CB 0.612 39.623 39.000 0.018 0.000 1.114 130 F HN -0.226 nan 8.300 nan 0.000 0.546 131 E N 1.699 121.916 120.200 0.028 0.000 2.136 131 E HA 0.080 4.433 4.350 0.005 0.000 0.246 131 E C 0.987 177.568 176.600 -0.031 0.000 1.017 131 E CA 0.305 56.637 56.400 -0.114 0.000 0.883 131 E CB 0.740 30.424 29.700 -0.027 0.000 1.199 131 E HN 0.436 nan 8.360 nan 0.000 0.447 132 T N -0.918 113.602 114.554 -0.056 0.000 2.969 132 T HA -0.114 4.239 4.350 0.005 0.000 0.271 132 T C 1.405 176.058 174.700 -0.078 0.000 1.127 132 T CA 0.821 62.886 62.100 -0.059 0.000 1.102 132 T CB -0.010 68.832 68.868 -0.044 0.000 0.855 132 T HN 0.297 nan 8.240 nan 0.000 0.536 133 L N 0.519 121.716 121.223 -0.044 0.000 2.667 133 L HA 0.353 4.696 4.340 0.005 0.000 0.232 133 L C 1.007 177.925 176.870 0.079 0.000 1.138 133 L CA -0.316 54.544 54.840 0.034 0.000 0.921 133 L CB 0.390 42.462 42.059 0.021 0.000 1.180 133 L HN 0.181 nan 8.230 nan 0.000 0.487 134 S N -0.226 115.464 115.700 -0.015 0.000 2.429 134 S HA 0.491 4.964 4.470 0.005 0.000 0.302 134 S C -0.894 173.647 174.600 -0.098 0.000 1.115 134 S CA -0.266 57.941 58.200 0.011 0.000 1.095 134 S CB 0.339 63.546 63.200 0.012 0.000 0.987 134 S HN 0.099 nan 8.310 nan 0.000 0.474 135 Y N 2.280 122.511 120.300 -0.116 0.000 2.509 135 Y HA 0.592 5.142 4.550 0.000 0.000 0.341 135 Y C 0.702 176.458 175.900 -0.239 0.000 1.038 135 Y CA -0.942 57.041 58.100 -0.195 0.000 1.089 135 Y CB 1.518 39.897 38.460 -0.136 0.000 1.241 135 Y HN 0.876 nan 8.280 nan 0.000 0.468 136 C N 0.364 119.552 119.300 -0.187 0.000 2.630 136 C HA 0.731 5.193 4.460 0.005 0.000 0.346 136 C C -0.651 174.268 174.990 -0.117 0.000 1.245 136 C CA -1.383 57.519 59.018 -0.194 0.000 1.804 136 C CB 1.392 28.929 27.740 -0.339 0.000 2.279 136 C HN 0.918 nan 8.230 nan 0.000 0.498 137 K N 1.082 121.432 120.400 -0.083 0.000 2.156 137 K HA 0.289 4.611 4.320 0.005 0.000 0.271 137 K C -0.044 176.519 176.600 -0.060 0.000 0.995 137 K CA 0.104 56.356 56.287 -0.057 0.000 0.890 137 K CB 0.875 33.352 32.500 -0.039 0.000 1.073 137 K HN 0.937 nan 8.250 nan 0.000 0.454 138 E N 4.813 124.984 120.200 -0.049 0.000 2.376 138 E HA -0.002 4.351 4.350 0.005 0.000 0.266 138 E C -0.580 175.997 176.600 -0.040 0.000 1.009 138 E CA -0.129 56.243 56.400 -0.047 0.000 0.902 138 E CB 0.602 30.285 29.700 -0.028 0.000 0.972 138 E HN 0.490 nan 8.360 nan 0.000 0.439 139 M N 4.329 123.901 119.600 -0.046 0.000 2.217 139 M HA 0.094 4.577 4.480 0.005 0.000 0.354 139 M C -0.155 176.136 176.300 -0.016 0.000 1.225 139 M CA -0.334 54.948 55.300 -0.031 0.000 1.137 139 M CB 0.606 33.194 32.600 -0.019 0.000 1.576 139 M HN 0.522 nan 8.290 nan 0.000 0.461 140 D N 2.058 122.447 120.400 -0.018 0.000 2.478 140 D HA 0.276 4.919 4.640 0.005 0.000 0.263 140 D C 0.782 177.074 176.300 -0.013 0.000 1.153 140 D CA -0.682 53.317 54.000 -0.002 0.000 1.038 140 D CB 0.617 41.417 40.800 -0.001 0.000 1.120 140 D HN 0.532 nan 8.370 nan 0.000 0.564 141 L N -0.351 120.880 121.223 0.013 0.000 2.127 141 L HA -0.197 4.146 4.340 0.005 0.000 0.211 141 L C 2.327 179.185 176.870 -0.018 0.000 1.089 141 L CA 1.832 56.682 54.840 0.017 0.000 0.757 141 L CB -0.749 41.350 42.059 0.068 0.000 0.899 141 L HN 0.540 nan 8.230 nan 0.000 0.434 142 S N -1.610 114.075 115.700 -0.025 0.000 2.414 142 S HA -0.135 4.338 4.470 0.005 0.000 0.227 142 S C 1.542 176.094 174.600 -0.081 0.000 1.022 142 S CA 0.741 58.914 58.200 -0.046 0.000 0.958 142 S CB -0.251 62.927 63.200 -0.037 0.000 0.797 142 S HN 0.340 nan 8.310 nan 0.000 0.493 143 D N 2.044 122.399 120.400 -0.075 0.000 2.117 143 D HA -0.007 4.636 4.640 0.005 0.000 0.197 143 D C 1.906 178.130 176.300 -0.128 0.000 0.987 143 D CA 1.144 55.084 54.000 -0.099 0.000 0.829 143 D CB -0.349 40.411 40.800 -0.066 0.000 0.961 143 D HN 0.443 nan 8.370 nan 0.000 0.460 144 I N 1.123 121.633 120.570 -0.101 0.000 2.179 144 I HA -0.262 3.910 4.170 0.005 0.000 0.242 144 I C 2.497 178.556 176.117 -0.096 0.000 1.088 144 I CA 1.054 62.304 61.300 -0.084 0.000 1.357 144 I CB -0.210 37.658 38.000 -0.220 0.000 1.051 144 I HN -0.075 nan 8.210 nan 0.000 0.409 145 A N -0.110 122.642 122.820 -0.113 0.000 1.933 145 A HA -0.273 4.050 4.320 0.005 0.000 0.218 145 A C 2.304 179.773 177.584 -0.192 0.000 1.175 145 A CA 1.697 53.661 52.037 -0.122 0.000 0.628 145 A CB -0.647 18.303 19.000 -0.084 0.000 0.814 145 A HN 0.490 nan 8.150 nan 0.000 0.444 146 Q N -0.377 119.269 119.800 -0.257 0.000 2.046 146 Q HA -0.122 4.221 4.340 0.005 0.000 0.200 146 Q C 1.989 177.496 176.000 -0.822 0.000 0.975 146 Q CA 1.905 57.431 55.803 -0.462 0.000 0.836 146 Q CB -0.169 28.317 28.738 -0.420 0.000 0.896 146 Q HN 0.420 nan 8.270 nan 0.000 0.428 147 V N 0.952 120.495 119.914 -0.618 0.000 2.427 147 V HA -0.270 3.853 4.120 0.005 0.000 0.248 147 V C 2.187 178.202 176.094 -0.132 0.000 1.051 147 V CA 1.880 63.865 62.300 -0.525 0.000 1.048 147 V CB -0.539 31.081 31.823 -0.338 0.000 0.666 147 V HN 0.422 nan 8.190 nan 0.000 0.456 148 Q N -0.599 119.147 119.800 -0.091 0.000 2.124 148 Q HA -0.292 4.051 4.340 0.005 0.000 0.202 148 Q C 2.354 178.364 176.000 0.016 0.000 0.977 148 Q CA 1.786 57.558 55.803 -0.052 0.000 0.850 148 Q CB -0.167 28.431 28.738 -0.234 0.000 0.901 148 Q HN 0.561 nan 8.270 nan 0.000 0.429 149 Q N 0.375 120.121 119.800 -0.089 0.000 2.119 149 Q HA -0.100 4.243 4.340 0.005 0.000 0.201 149 Q C 1.481 177.556 176.000 0.126 0.000 0.972 149 Q CA 1.481 57.271 55.803 -0.022 0.000 0.847 149 Q CB -0.278 28.406 28.738 -0.090 0.000 0.903 149 Q HN 0.437 nan 8.270 nan 0.000 0.433 150 F N -1.268 118.688 119.950 0.010 0.000 2.126 150 F HA -0.289 4.241 4.527 0.005 0.000 0.299 150 F C 1.644 177.434 175.800 -0.017 0.000 1.096 150 F CA 0.698 58.676 58.000 -0.037 0.000 1.255 150 F CB -0.232 38.698 39.000 -0.118 0.000 0.997 150 F HN 0.161 nan 8.300 nan 0.000 0.479 151 Y N -0.194 120.218 120.300 0.187 0.000 2.181 151 Y HA -0.219 4.333 4.550 0.004 0.000 0.288 151 Y C 2.379 178.335 175.900 0.093 0.000 1.146 151 Y CA 1.166 59.338 58.100 0.119 0.000 1.164 151 Y CB -0.909 37.581 38.460 0.052 0.000 0.982 151 Y HN -0.209 nan 8.280 nan 0.000 0.515 152 V N 0.040 120.096 119.914 0.235 0.000 2.295 152 V HA -0.284 3.838 4.120 0.005 0.000 0.246 152 V C 1.817 177.994 176.094 0.138 0.000 1.049 152 V CA 2.127 64.519 62.300 0.153 0.000 1.024 152 V CB -0.556 31.331 31.823 0.107 0.000 0.648 152 V HN 0.362 nan 8.190 nan 0.000 0.447 153 D N 0.462 120.949 120.400 0.144 0.000 2.117 153 D HA -0.124 4.519 4.640 0.005 0.000 0.197 153 D C 2.219 178.589 176.300 0.116 0.000 0.987 153 D CA 1.668 55.742 54.000 0.124 0.000 0.829 153 D CB -0.379 40.504 40.800 0.138 0.000 0.961 153 D HN 0.440 nan 8.370 nan 0.000 0.460 154 A N 1.075 123.970 122.820 0.124 0.000 1.902 154 A HA -0.041 4.282 4.320 0.005 0.000 0.217 154 A C 2.328 179.978 177.584 0.109 0.000 1.181 154 A CA 2.209 54.310 52.037 0.107 0.000 0.623 154 A CB -0.743 18.311 19.000 0.089 0.000 0.818 154 A HN 0.233 nan 8.150 nan 0.000 0.443 155 A N -0.165 122.733 122.820 0.129 0.000 1.908 155 A HA -0.167 4.156 4.320 0.005 0.000 0.218 155 A C 2.122 179.769 177.584 0.104 0.000 1.181 155 A CA 1.786 53.894 52.037 0.117 0.000 0.627 155 A CB -0.374 18.700 19.000 0.124 0.000 0.818 155 A HN 0.417 nan 8.150 nan 0.000 0.445 156 K N -0.252 120.207 120.400 0.098 0.000 2.026 156 K HA -0.124 4.199 4.320 0.005 0.000 0.208 156 K C 2.131 178.788 176.600 0.094 0.000 1.048 156 K CA 1.519 57.857 56.287 0.085 0.000 0.929 156 K CB -0.367 32.178 32.500 0.075 0.000 0.713 156 K HN 0.484 nan 8.250 nan 0.000 0.439 157 R N 0.634 121.194 120.500 0.099 0.000 2.120 157 R HA -0.042 4.300 4.340 0.005 0.000 0.234 157 R C 2.514 178.904 176.300 0.149 0.000 1.123 157 R CA 1.205 57.369 56.100 0.107 0.000 0.975 157 R CB -0.182 30.179 30.300 0.102 0.000 0.866 157 R HN 0.106 nan 8.270 nan 0.000 0.446 158 S N 0.536 116.334 115.700 0.163 0.000 2.368 158 S HA -0.157 4.316 4.470 0.005 0.000 0.225 158 S C 1.834 176.631 174.600 0.327 0.000 1.030 158 S CA 1.116 59.479 58.200 0.271 0.000 0.999 158 S CB -0.175 63.094 63.200 0.116 0.000 0.844 158 S HN 0.340 nan 8.310 nan 0.000 0.459 159 R N 1.095 121.711 120.500 0.193 0.000 2.092 159 R HA -0.115 4.228 4.340 0.005 0.000 0.231 159 R C 1.262 177.630 176.300 0.114 0.000 1.119 159 R CA 1.631 57.820 56.100 0.149 0.000 0.970 159 R CB -0.245 30.112 30.300 0.096 0.000 0.864 159 R HN 0.241 nan 8.270 nan 0.000 0.440 160 D N 0.250 120.712 120.400 0.102 0.000 2.178 160 D HA -0.108 4.535 4.640 0.005 0.000 0.201 160 D C 1.467 177.800 176.300 0.056 0.000 0.980 160 D CA 1.392 55.432 54.000 0.068 0.000 0.842 160 D CB -0.090 40.746 40.800 0.061 0.000 0.948 160 D HN 0.381 nan 8.370 nan 0.000 0.472 161 A N -0.388 122.487 122.820 0.092 0.000 2.167 161 A HA 0.368 4.690 4.320 0.005 0.000 0.214 161 A C 1.756 179.260 177.584 -0.134 0.000 1.151 161 A CA 1.223 53.270 52.037 0.017 0.000 0.735 161 A CB -0.141 18.942 19.000 0.139 0.000 0.802 161 A HN 0.270 nan 8.150 nan 0.000 0.467 162 G N -2.222 106.553 108.800 -0.041 0.000 2.134 162 G HA2 -0.199 3.764 3.960 0.005 0.000 0.209 162 G HA3 -0.199 3.764 3.960 0.005 0.000 0.209 162 G C -0.099 174.769 174.900 -0.053 0.000 0.993 162 G CA -0.134 44.947 45.100 -0.031 0.000 0.669 162 G HN 0.261 nan 8.290 nan 0.000 0.519 163 F N 1.302 121.308 119.950 0.093 0.000 2.429 163 F HA 0.379 4.910 4.527 0.006 0.000 0.348 163 F C 1.459 177.322 175.800 0.105 0.000 1.109 163 F CA 0.056 58.108 58.000 0.087 0.000 1.232 163 F CB 0.777 39.813 39.000 0.060 0.000 1.157 163 F HN 0.031 nan 8.300 nan 0.000 0.564 164 D N 2.143 122.729 120.400 0.311 0.000 2.338 164 D HA 0.148 4.791 4.640 0.005 0.000 0.208 164 D C 0.311 176.710 176.300 0.165 0.000 0.997 164 D CA 1.017 55.140 54.000 0.205 0.000 0.880 164 D CB 0.829 41.747 40.800 0.196 0.000 0.980 164 D HN 0.246 nan 8.370 nan 0.000 0.509 165 I N 1.473 122.159 120.570 0.193 0.000 2.498 165 I HA 0.228 4.401 4.170 0.005 0.000 0.290 165 I C -0.809 175.355 176.117 0.078 0.000 1.032 165 I CA -0.802 60.557 61.300 0.098 0.000 1.073 165 I CB 2.939 40.997 38.000 0.096 0.000 1.251 165 I HN -0.384 nan 8.210 nan 0.000 0.426 166 V N 6.403 126.327 119.914 0.017 0.000 2.444 166 V HA 0.382 4.504 4.120 0.005 0.000 0.294 166 V C -0.897 175.227 176.094 0.049 0.000 1.022 166 V CA -0.662 61.667 62.300 0.048 0.000 0.850 166 V CB 1.503 33.365 31.823 0.066 0.000 0.992 166 V HN 0.427 nan 8.190 nan 0.000 0.426 167 Y N 2.781 123.126 120.300 0.075 0.000 2.352 167 Y HA 0.541 5.093 4.550 0.005 0.000 0.326 167 Y C 0.284 176.305 175.900 0.201 0.000 1.166 167 Y CA -0.505 57.675 58.100 0.134 0.000 1.182 167 Y CB 2.023 40.562 38.460 0.132 0.000 1.216 167 Y HN 0.351 nan 8.280 nan 0.000 0.474 168 V N 4.853 125.025 119.914 0.430 0.000 2.294 168 V HA 0.077 4.200 4.120 0.005 0.000 0.272 168 V C -0.672 175.715 176.094 0.489 0.000 1.027 168 V CA -0.878 61.638 62.300 0.360 0.000 0.823 168 V CB 0.003 31.954 31.823 0.213 0.000 1.030 168 V HN 0.693 nan 8.190 nan 0.000 0.457 169 Y N 3.918 124.421 120.300 0.339 0.000 2.637 169 Y HA 0.392 4.946 4.550 0.007 0.000 0.350 169 Y C 1.093 177.122 175.900 0.215 0.000 1.069 169 Y CA -0.287 58.003 58.100 0.317 0.000 1.397 169 Y CB 0.656 39.319 38.460 0.337 0.000 1.163 169 Y HN 0.646 nan 8.280 nan 0.000 0.527 170 G N 4.795 113.775 108.800 0.301 0.000 4.637 170 G HA2 0.542 4.505 3.960 0.005 0.000 0.294 170 G HA3 0.542 4.505 3.960 0.005 0.000 0.294 170 G C -0.518 174.514 174.900 0.219 0.000 1.215 170 G CA 0.153 45.187 45.100 -0.109 0.000 0.943 170 G HN 0.784 nan 8.290 nan 0.000 0.572 171 A N -0.638 122.230 122.820 0.080 0.000 2.387 171 A HA 0.742 5.065 4.320 0.005 0.000 0.298 171 A C 0.420 177.856 177.584 -0.246 0.000 1.165 171 A CA -0.696 51.339 52.037 -0.003 0.000 0.814 171 A CB 0.458 19.500 19.000 0.069 0.000 1.357 171 A HN 0.747 nan 8.150 nan 0.000 0.443 172 H N -0.235 118.753 119.070 -0.138 0.000 2.791 172 H HA -0.148 4.410 4.556 0.004 0.000 0.302 172 H C 0.655 175.624 175.328 -0.599 0.000 1.198 172 H CA 0.775 56.594 56.048 -0.381 0.000 1.145 172 H CB -2.047 27.419 29.762 -0.493 0.000 1.385 172 H HN 1.002 nan 8.280 nan 0.000 0.409 173 S N -2.530 113.037 115.700 -0.221 0.000 3.581 173 S HA -0.259 4.214 4.470 0.005 0.000 0.354 173 S C 0.231 174.745 174.600 -0.143 0.000 1.059 173 S CA 1.091 59.234 58.200 -0.095 0.000 1.060 173 S CB -1.098 62.169 63.200 0.113 0.000 0.908 173 S HN 0.524 nan 8.310 nan 0.000 0.475 174 Y N -0.325 119.968 120.300 -0.013 0.000 2.418 174 Y HA 0.491 5.044 4.550 0.004 0.000 0.327 174 Y C 1.522 177.364 175.900 -0.098 0.000 1.309 174 Y CA -1.124 56.980 58.100 0.006 0.000 1.423 174 Y CB -0.205 38.256 38.460 0.001 0.000 1.423 174 Y HN 0.091 nan 8.280 nan 0.000 0.532 175 L N 2.128 123.456 121.223 0.176 0.000 2.064 175 L HA -0.264 4.079 4.340 0.005 0.000 0.234 175 L C -0.993 175.877 176.870 -0.000 0.000 1.103 175 L CA 2.550 57.440 54.840 0.083 0.000 0.824 175 L CB -1.710 40.485 42.059 0.227 0.000 0.919 175 L HN 0.559 nan 8.230 nan 0.000 0.447 176 P HA -0.200 nan 4.420 nan 0.000 0.216 176 P C 1.981 179.149 177.300 -0.219 0.000 1.150 176 P CA 1.234 64.132 63.100 -0.336 0.000 0.843 176 P CB -0.126 30.816 31.700 -1.264 0.000 0.787 177 L N -0.413 120.683 121.223 -0.213 0.000 2.156 177 L HA -0.113 4.230 4.340 0.005 0.000 0.208 177 L C 1.974 178.886 176.870 0.071 0.000 1.095 177 L CA 1.896 56.767 54.840 0.051 0.000 0.770 177 L CB -1.094 41.020 42.059 0.090 0.000 0.914 177 L HN 0.068 nan 8.230 nan 0.000 0.439 178 Q N -1.199 118.543 119.800 -0.097 0.000 2.124 178 Q HA -0.215 4.128 4.340 0.005 0.000 0.202 178 Q C 2.066 178.003 176.000 -0.104 0.000 0.977 178 Q CA 1.650 57.290 55.803 -0.272 0.000 0.850 178 Q CB -0.132 28.262 28.738 -0.575 0.000 0.901 178 Q HN 0.388 nan 8.270 nan 0.000 0.429 179 F N -0.044 119.856 119.950 -0.084 0.000 2.186 179 F HA -0.162 4.370 4.527 0.008 0.000 0.299 179 F C 1.972 177.837 175.800 0.108 0.000 1.090 179 F CA 0.639 58.638 58.000 -0.002 0.000 1.307 179 F CB -0.018 38.973 39.000 -0.015 0.000 1.019 179 F HN 0.092 nan 8.300 nan 0.000 0.489 180 L N -0.234 121.173 121.223 0.306 0.000 2.179 180 L HA -0.019 4.324 4.340 0.005 0.000 0.208 180 L C 0.690 177.687 176.870 0.212 0.000 1.096 180 L CA 1.102 56.088 54.840 0.243 0.000 0.779 180 L CB -0.564 41.618 42.059 0.206 0.000 0.922 180 L HN -0.074 nan 8.230 nan 0.000 0.443 181 N N -0.462 118.374 118.700 0.228 0.000 2.419 181 N HA 0.184 4.926 4.740 0.005 0.000 0.264 181 N C -2.023 173.605 175.510 0.198 0.000 1.031 181 N CA -2.251 50.941 53.050 0.237 0.000 0.951 181 N CB 1.614 40.305 38.487 0.340 0.000 1.101 181 N HN -0.089 nan 8.380 nan 0.000 0.488 182 P HA -0.095 nan 4.420 nan 0.000 0.222 182 P C 0.872 178.206 177.300 0.056 0.000 1.147 182 P CA 0.860 64.014 63.100 0.090 0.000 0.790 182 P CB -0.056 31.692 31.700 0.080 0.000 0.780 183 Y N -1.395 118.838 120.300 -0.111 0.000 2.274 183 Y HA -0.264 4.291 4.550 0.009 0.000 0.290 183 Y C 1.418 177.057 175.900 -0.435 0.000 1.145 183 Y CA 1.619 59.535 58.100 -0.307 0.000 1.203 183 Y CB -0.193 38.002 38.460 -0.443 0.000 0.984 183 Y HN -0.034 nan 8.280 nan 0.000 0.533 184 Y N -1.570 118.601 120.300 -0.215 0.000 2.506 184 Y HA 0.128 4.680 4.550 0.004 0.000 0.287 184 Y C 0.770 176.509 175.900 -0.269 0.000 1.147 184 Y CA 0.009 57.853 58.100 -0.427 0.000 1.241 184 Y CB -0.370 37.803 38.460 -0.477 0.000 1.279 184 Y HN -0.147 nan 8.280 nan 0.000 0.527 185 N N 2.007 120.708 118.700 0.002 0.000 2.402 185 N HA 0.012 4.755 4.740 0.005 0.000 0.259 185 N C -0.158 175.346 175.510 -0.010 0.000 1.167 185 N CA 0.245 53.269 53.050 -0.044 0.000 0.949 185 N CB 0.389 38.870 38.487 -0.010 0.000 1.212 185 N HN 0.123 nan 8.380 nan 0.000 0.493 186 K N 2.779 123.168 120.400 -0.019 0.000 2.440 186 K HA 0.176 4.499 4.320 0.005 0.000 0.206 186 K C 0.247 176.859 176.600 0.020 0.000 1.025 186 K CA -0.203 56.084 56.287 0.000 0.000 1.135 186 K CB 0.553 33.047 32.500 -0.010 0.000 0.856 186 K HN 0.420 nan 8.250 nan 0.000 0.502 187 R N 0.891 121.410 120.500 0.032 0.000 2.694 187 R HA 0.057 4.400 4.340 0.005 0.000 0.268 187 R C 1.064 177.410 176.300 0.077 0.000 1.061 187 R CA 0.586 56.724 56.100 0.063 0.000 1.133 187 R CB 0.188 30.552 30.300 0.107 0.000 1.020 187 R HN 0.094 nan 8.270 nan 0.000 0.475 188 T N -3.531 111.068 114.554 0.076 0.000 3.084 188 T HA 0.034 4.387 4.350 0.005 0.000 0.270 188 T C 0.215 174.961 174.700 0.077 0.000 1.008 188 T CA -0.484 61.657 62.100 0.068 0.000 0.900 188 T CB -0.129 68.768 68.868 0.048 0.000 1.084 188 T HN 0.644 nan 8.240 nan 0.000 0.538 189 D N 2.292 122.757 120.400 0.108 0.000 2.475 189 D HA 0.133 4.776 4.640 0.005 0.000 0.286 189 D C 1.348 177.708 176.300 0.101 0.000 1.205 189 D CA -0.749 53.318 54.000 0.112 0.000 1.092 189 D CB 0.477 41.368 40.800 0.153 0.000 1.147 189 D HN 0.294 nan 8.370 nan 0.000 0.575 190 K N -1.383 119.056 120.400 0.064 0.000 2.555 190 K HA -0.069 4.254 4.320 0.005 0.000 0.193 190 K C 0.477 176.980 176.600 -0.161 0.000 1.032 190 K CA 0.732 56.977 56.287 -0.072 0.000 1.004 190 K CB -0.420 31.976 32.500 -0.172 0.000 0.804 190 K HN 0.305 nan 8.250 nan 0.000 0.496 191 Y N 0.847 121.230 120.300 0.138 0.000 2.555 191 Y HA 0.346 4.897 4.550 0.002 0.000 0.259 191 Y C 0.863 176.900 175.900 0.228 0.000 1.179 191 Y CA -0.374 57.854 58.100 0.213 0.000 1.230 191 Y CB 1.370 40.013 38.460 0.306 0.000 1.146 191 Y HN 0.221 nan 8.280 nan 0.000 0.526 192 G N -2.057 106.891 108.800 0.247 0.000 2.725 192 G HA2 0.525 4.488 3.960 0.005 0.000 0.288 192 G HA3 0.525 4.488 3.960 0.005 0.000 0.288 192 G C 0.217 175.191 174.900 0.123 0.000 1.399 192 G CA -0.188 45.023 45.100 0.185 0.000 0.859 192 G HN 0.345 nan 8.290 nan 0.000 0.479 193 G N -0.079 108.783 108.800 0.103 0.000 3.226 193 G HA2 -0.008 3.955 3.960 0.005 0.000 0.270 193 G HA3 -0.008 3.955 3.960 0.005 0.000 0.270 193 G C 1.094 176.042 174.900 0.080 0.000 1.592 193 G CA 0.885 46.032 45.100 0.079 0.000 1.055 193 G HN 2.340 nan 8.290 nan 0.000 0.582 194 S N 1.083 116.825 115.700 0.071 0.000 2.589 194 S HA 0.471 4.944 4.470 0.005 0.000 0.265 194 S C 1.527 176.181 174.600 0.090 0.000 1.342 194 S CA 0.504 58.746 58.200 0.069 0.000 1.005 194 S CB 1.556 64.787 63.200 0.052 0.000 0.909 194 S HN 1.751 nan 8.310 nan 0.000 0.555 195 L N 1.463 122.742 121.223 0.092 0.000 2.042 195 L HA -0.121 4.222 4.340 0.005 0.000 0.210 195 L C 2.633 179.578 176.870 0.126 0.000 1.076 195 L CA 2.087 56.998 54.840 0.118 0.000 0.749 195 L CB -1.211 40.918 42.059 0.115 0.000 0.893 195 L HN 0.876 nan 8.230 nan 0.000 0.432 196 E N -0.688 119.567 120.200 0.091 0.000 2.118 196 E HA -0.245 4.108 4.350 0.005 0.000 0.195 196 E C 1.807 178.451 176.600 0.072 0.000 0.992 196 E CA 1.517 57.962 56.400 0.075 0.000 0.804 196 E CB -0.888 28.834 29.700 0.036 0.000 0.741 196 E HN 0.556 nan 8.360 nan 0.000 0.458 197 N N 1.099 119.840 118.700 0.067 0.000 2.171 197 N HA -0.044 4.699 4.740 0.005 0.000 0.184 197 N C 1.881 177.484 175.510 0.156 0.000 1.021 197 N CA 0.873 53.957 53.050 0.056 0.000 0.854 197 N CB -0.297 38.224 38.487 0.056 0.000 0.994 197 N HN 0.193 nan 8.380 nan 0.000 0.426 198 R N 0.343 120.959 120.500 0.192 0.000 2.115 198 R HA 0.080 4.423 4.340 0.005 0.000 0.230 198 R C 1.761 178.243 176.300 0.304 0.000 1.111 198 R CA 1.123 57.383 56.100 0.266 0.000 0.976 198 R CB -0.141 30.285 30.300 0.211 0.000 0.870 198 R HN 0.166 nan 8.270 nan 0.000 0.445 199 A N 0.709 123.684 122.820 0.259 0.000 2.123 199 A HA -0.042 4.281 4.320 0.005 0.000 0.214 199 A C 1.984 179.763 177.584 0.325 0.000 1.152 199 A CA 0.268 52.497 52.037 0.320 0.000 0.728 199 A CB -0.262 18.960 19.000 0.370 0.000 0.814 199 A HN 0.169 nan 8.150 nan 0.000 0.464 200 R N -1.057 119.580 120.500 0.229 0.000 2.094 200 R HA -0.219 4.124 4.340 0.005 0.000 0.239 200 R C 1.876 178.309 176.300 0.223 0.000 1.137 200 R CA 2.159 58.345 56.100 0.143 0.000 0.943 200 R CB -0.518 29.732 30.300 -0.083 0.000 0.850 200 R HN 0.503 nan 8.270 nan 0.000 0.433 201 F N 0.118 120.169 119.950 0.168 0.000 2.120 201 F HA -0.288 4.244 4.527 0.007 0.000 0.300 201 F C 2.108 177.896 175.800 -0.020 0.000 1.095 201 F CA 1.737 59.676 58.000 -0.101 0.000 1.249 201 F CB -0.346 38.142 39.000 -0.852 0.000 0.995 201 F HN 0.202 nan 8.300 nan 0.000 0.480 202 W N 1.080 122.414 121.300 0.056 0.000 2.379 202 W HA -0.152 4.510 4.660 0.003 0.000 0.307 202 W C 2.160 178.662 176.519 -0.029 0.000 1.200 202 W CA 1.647 59.009 57.345 0.028 0.000 1.297 202 W CB -0.991 28.569 29.460 0.166 0.000 1.140 202 W HN 0.062 nan 8.180 nan 0.000 0.507 203 L N 0.242 121.645 121.223 0.300 0.000 2.042 203 L HA -0.239 4.103 4.340 0.005 0.000 0.210 203 L C 2.377 179.247 176.870 0.001 0.000 1.076 203 L CA 1.777 56.679 54.840 0.104 0.000 0.749 203 L CB -0.931 41.169 42.059 0.069 0.000 0.893 203 L HN -0.038 nan 8.230 nan 0.000 0.432 204 E N -0.562 119.604 120.200 -0.057 0.000 2.072 204 E HA -0.161 4.192 4.350 0.005 0.000 0.191 204 E C 2.125 178.605 176.600 -0.199 0.000 0.985 204 E CA 1.663 57.984 56.400 -0.130 0.000 0.801 204 E CB -0.111 29.500 29.700 -0.147 0.000 0.750 204 E HN 0.455 nan 8.360 nan 0.000 0.452 205 T N 1.722 116.078 114.554 -0.329 0.000 2.746 205 T HA -0.126 4.227 4.350 0.005 0.000 0.267 205 T C 1.986 176.579 174.700 -0.177 0.000 1.039 205 T CA 0.783 62.652 62.100 -0.385 0.000 1.142 205 T CB -0.197 68.254 68.868 -0.695 0.000 0.866 205 T HN 0.072 nan 8.240 nan 0.000 0.444 206 L N 0.565 121.753 121.223 -0.058 0.000 2.017 206 L HA -0.127 4.216 4.340 0.005 0.000 0.208 206 L C 2.828 179.681 176.870 -0.028 0.000 1.073 206 L CA 1.550 56.387 54.840 -0.006 0.000 0.745 206 L CB -0.453 41.621 42.059 0.024 0.000 0.894 206 L HN 0.336 nan 8.230 nan 0.000 0.432 207 E N 0.282 120.458 120.200 -0.040 0.000 2.085 207 E HA -0.255 4.097 4.350 0.005 0.000 0.194 207 E C 2.163 178.763 176.600 -0.001 0.000 0.994 207 E CA 1.369 57.752 56.400 -0.028 0.000 0.801 207 E CB 0.146 29.818 29.700 -0.047 0.000 0.743 207 E HN 0.372 nan 8.360 nan 0.000 0.453 208 K N -0.174 120.209 120.400 -0.029 0.000 2.097 208 K HA -0.085 4.238 4.320 0.005 0.000 0.205 208 K C 2.132 178.766 176.600 0.058 0.000 1.050 208 K CA 1.124 57.415 56.287 0.006 0.000 0.938 208 K CB 0.094 32.569 32.500 -0.042 0.000 0.718 208 K HN 0.055 nan 8.250 nan 0.000 0.442 209 V N 1.806 121.737 119.914 0.029 0.000 2.358 209 V HA -0.225 3.897 4.120 0.005 0.000 0.246 209 V C 2.333 178.456 176.094 0.049 0.000 1.047 209 V CA 1.585 63.917 62.300 0.053 0.000 1.035 209 V CB -0.332 31.521 31.823 0.050 0.000 0.658 209 V HN 0.302 nan 8.190 nan 0.000 0.452 210 K N -0.561 119.860 120.400 0.035 0.000 2.057 210 K HA -0.254 4.069 4.320 0.005 0.000 0.207 210 K C 2.343 178.967 176.600 0.040 0.000 1.049 210 K CA 1.659 57.960 56.287 0.022 0.000 0.931 210 K CB -0.338 32.165 32.500 0.006 0.000 0.714 210 K HN 0.607 nan 8.250 nan 0.000 0.440 211 H N -0.217 118.845 119.070 -0.013 0.000 2.387 211 H HA -0.074 4.485 4.556 0.005 0.000 0.299 211 H C 1.639 176.969 175.328 0.002 0.000 1.090 211 H CA 1.596 57.639 56.048 -0.009 0.000 1.332 211 H CB 0.181 29.934 29.762 -0.014 0.000 1.386 211 H HN 0.352 nan 8.280 nan 0.000 0.516 212 A N 0.549 123.376 122.820 0.012 0.000 1.897 212 A HA -0.048 4.275 4.320 0.005 0.000 0.215 212 A C 2.227 179.785 177.584 -0.042 0.000 1.181 212 A CA 2.036 54.060 52.037 -0.021 0.000 0.620 212 A CB -0.341 18.697 19.000 0.063 0.000 0.821 212 A HN 0.402 nan 8.150 nan 0.000 0.443 213 V N -4.364 115.542 119.914 -0.013 0.000 3.337 213 V HA 0.429 4.552 4.120 0.005 0.000 0.307 213 V C 1.637 177.726 176.094 -0.008 0.000 1.505 213 V CA 0.584 62.883 62.300 -0.002 0.000 1.072 213 V CB -0.435 31.410 31.823 0.036 0.000 0.929 213 V HN 0.341 nan 8.190 nan 0.000 0.455 214 G N 2.125 110.912 108.800 -0.021 0.000 2.485 214 G HA2 -0.250 3.713 3.960 0.005 0.000 0.221 214 G HA3 -0.250 3.713 3.960 0.005 0.000 0.221 214 G C 1.557 176.444 174.900 -0.023 0.000 1.115 214 G CA 1.658 46.745 45.100 -0.020 0.000 0.751 214 G HN 0.882 nan 8.290 nan 0.000 0.567 215 S N -0.388 115.293 115.700 -0.032 0.000 2.470 215 S HA 0.041 4.514 4.470 0.005 0.000 0.225 215 S C 1.442 176.034 174.600 -0.013 0.000 1.006 215 S CA 1.048 59.233 58.200 -0.026 0.000 0.934 215 S CB 0.174 63.352 63.200 -0.037 0.000 0.778 215 S HN 0.323 nan 8.310 nan 0.000 0.517 216 D N 0.103 120.500 120.400 -0.006 0.000 2.423 216 D HA 0.274 4.917 4.640 0.005 0.000 0.212 216 D C 0.059 176.373 176.300 0.024 0.000 1.060 216 D CA 0.236 54.240 54.000 0.008 0.000 0.872 216 D CB 0.649 41.456 40.800 0.013 0.000 1.012 216 D HN 0.359 nan 8.370 nan 0.000 0.503 217 C N 0.964 120.279 119.300 0.026 0.000 2.707 217 C HA 0.780 5.243 4.460 0.005 0.000 0.313 217 C C 0.237 175.236 174.990 0.016 0.000 1.209 217 C CA -1.226 57.816 59.018 0.040 0.000 1.635 217 C CB 1.598 29.375 27.740 0.062 0.000 2.206 217 C HN 0.243 nan 8.230 nan 0.000 0.485 218 A N 2.427 125.256 122.820 0.016 0.000 2.366 218 A HA 0.642 4.965 4.320 0.005 0.000 0.272 218 A C -0.319 177.234 177.584 -0.052 0.000 1.135 218 A CA -0.054 51.972 52.037 -0.019 0.000 0.804 218 A CB 0.016 19.009 19.000 -0.010 0.000 1.064 218 A HN 0.717 nan 8.150 nan 0.000 0.499 219 I N 2.496 123.019 120.570 -0.079 0.000 2.297 219 I HA 0.429 4.602 4.170 0.005 0.000 0.291 219 I C 0.684 176.692 176.117 -0.182 0.000 1.033 219 I CA 0.044 61.285 61.300 -0.098 0.000 1.253 219 I CB 0.200 38.155 38.000 -0.074 0.000 1.396 219 I HN 0.683 nan 8.210 nan 0.000 0.476 220 A N 4.807 127.471 122.820 -0.261 0.000 2.330 220 A HA 0.826 5.149 4.320 0.005 0.000 0.329 220 A C -0.105 177.377 177.584 -0.170 0.000 1.135 220 A CA -0.525 51.284 52.037 -0.380 0.000 0.817 220 A CB 1.676 20.186 19.000 -0.817 0.000 1.269 220 A HN 0.577 nan 8.150 nan 0.000 0.469 221 T N 0.094 114.628 114.554 -0.033 0.000 2.921 221 T HA 0.527 4.879 4.350 0.005 0.000 0.297 221 T C -0.688 174.368 174.700 0.594 0.000 1.013 221 T CA -0.506 61.789 62.100 0.325 0.000 0.990 221 T CB 0.706 69.682 68.868 0.179 0.000 1.023 221 T HN 0.733 nan 8.240 nan 0.000 0.447 222 R N 3.540 124.520 120.500 0.799 0.000 2.265 222 R HA 0.635 4.978 4.340 0.005 0.000 0.319 222 R C -1.506 175.316 176.300 0.870 0.000 1.006 222 R CA -0.541 55.992 56.100 0.722 0.000 0.880 222 R CB 0.496 31.103 30.300 0.511 0.000 1.077 222 R HN 0.468 nan 8.270 nan 0.000 0.454 223 F N 3.089 123.394 119.950 0.592 0.000 2.536 223 F HA 0.474 5.003 4.527 0.004 0.000 0.322 223 F C -0.234 175.757 175.800 0.317 0.000 1.144 223 F CA -1.611 56.745 58.000 0.595 0.000 0.924 223 F CB 1.990 41.399 39.000 0.682 0.000 1.181 223 F HN 0.612 nan 8.300 nan 0.000 0.438 224 G N 4.942 113.796 108.800 0.089 0.000 2.741 224 G HA2 0.272 4.235 3.960 0.005 0.000 0.301 224 G HA3 0.272 4.235 3.960 0.005 0.000 0.301 224 G C 0.736 175.193 174.900 -0.739 0.000 0.834 224 G CA -0.042 44.900 45.100 -0.264 0.000 1.683 224 G HN 0.743 nan 8.290 nan 0.000 0.506 225 V N 1.628 120.970 119.914 -0.953 0.000 2.688 225 V HA -0.026 4.097 4.120 0.005 0.000 0.256 225 V C 0.579 176.434 176.094 -0.399 0.000 1.084 225 V CA 1.890 63.602 62.300 -0.980 0.000 1.103 225 V CB -0.041 31.474 31.823 -0.512 0.000 0.688 225 V HN 0.630 nan 8.190 nan 0.000 0.480 226 D N -2.288 117.929 120.400 -0.306 0.000 2.977 226 D HA 0.190 4.833 4.640 0.005 0.000 0.220 226 D C 0.377 176.534 176.300 -0.238 0.000 1.267 226 D CA -0.008 53.888 54.000 -0.173 0.000 0.884 226 D CB 2.244 42.989 40.800 -0.092 0.000 1.667 226 D HN 0.081 nan 8.370 nan 0.000 0.536 227 T N 0.570 115.047 114.554 -0.128 0.000 3.129 227 T HA 0.044 4.396 4.350 0.005 0.000 0.251 227 T C 1.340 175.887 174.700 -0.254 0.000 1.117 227 T CA 0.577 62.611 62.100 -0.111 0.000 1.034 227 T CB -0.363 68.541 68.868 0.060 0.000 0.968 227 T HN 0.833 nan 8.240 nan 0.000 0.526 228 V N -1.607 118.141 119.914 -0.278 0.000 5.325 228 V HA -0.286 3.837 4.120 0.005 0.000 0.291 228 V C 0.115 175.976 176.094 -0.388 0.000 0.541 228 V CA 1.116 63.218 62.300 -0.331 0.000 0.687 228 V CB -3.027 28.492 31.823 -0.507 0.000 0.491 228 V HN 0.584 nan 8.190 nan 0.000 1.145 229 Y N 0.924 121.166 120.300 -0.097 0.000 2.527 229 Y HA 0.596 5.151 4.550 0.008 0.000 0.247 229 Y C 1.723 177.588 175.900 -0.058 0.000 1.138 229 Y CA 0.770 58.811 58.100 -0.100 0.000 1.228 229 Y CB 1.148 39.504 38.460 -0.174 0.000 1.252 229 Y HN 1.309 nan 8.280 nan 0.000 0.531 230 G N 0.707 109.564 108.800 0.096 0.000 2.615 230 G HA2 -0.207 3.756 3.960 0.005 0.000 0.218 230 G HA3 -0.207 3.756 3.960 0.005 0.000 0.218 230 G C -2.735 172.204 174.900 0.064 0.000 1.339 230 G CA -1.201 43.945 45.100 0.076 0.000 0.884 230 G HN -0.036 nan 8.290 nan 0.000 0.559 231 P HA 0.404 nan 4.420 nan 0.000 0.268 231 P C 1.013 178.330 177.300 0.028 0.000 1.205 231 P CA 2.060 65.185 63.100 0.040 0.000 0.771 231 P CB 0.788 32.508 31.700 0.034 0.000 0.858 232 G N 0.805 109.622 108.800 0.027 0.000 2.352 232 G HA2 -0.146 3.816 3.960 0.005 0.000 0.204 232 G HA3 -0.146 3.816 3.960 0.005 0.000 0.204 232 G C 0.161 175.063 174.900 0.004 0.000 1.004 232 G CA -0.262 44.845 45.100 0.012 0.000 0.648 232 G HN 0.550 nan 8.290 nan 0.000 0.491 233 Q N -0.653 119.148 119.800 0.002 0.000 3.353 233 Q HA 0.607 4.950 4.340 0.005 0.000 0.302 233 Q C -0.349 175.688 176.000 0.060 0.000 0.991 233 Q CA -1.091 54.716 55.803 0.006 0.000 0.827 233 Q CB 0.957 29.650 28.738 -0.076 0.000 1.694 233 Q HN 0.172 nan 8.270 nan 0.000 0.458 234 I N 1.976 122.591 120.570 0.076 0.000 2.471 234 I HA 0.144 4.317 4.170 0.005 0.000 0.286 234 I C -0.071 176.085 176.117 0.064 0.000 1.079 234 I CA 0.640 61.995 61.300 0.092 0.000 1.398 234 I CB 0.010 38.080 38.000 0.116 0.000 1.403 234 I HN 0.484 nan 8.210 nan 0.000 0.530 235 E N 4.079 124.327 120.200 0.081 0.000 2.176 235 E HA 0.462 4.815 4.350 0.005 0.000 0.267 235 E C 0.574 177.227 176.600 0.088 0.000 0.893 235 E CA -0.575 55.876 56.400 0.084 0.000 0.761 235 E CB 2.123 31.869 29.700 0.077 0.000 1.133 235 E HN 0.677 nan 8.360 nan 0.000 0.409 236 A N 3.566 126.448 122.820 0.102 0.000 1.917 236 A HA -0.247 4.076 4.320 0.005 0.000 0.219 236 A C 1.477 179.094 177.584 0.055 0.000 1.182 236 A CA 1.628 53.715 52.037 0.083 0.000 0.633 236 A CB -0.241 18.841 19.000 0.137 0.000 0.819 236 A HN 0.684 nan 8.150 nan 0.000 0.448 237 E N -0.994 119.230 120.200 0.039 0.000 2.465 237 E HA 0.178 4.531 4.350 0.005 0.000 0.191 237 E C 0.768 177.388 176.600 0.034 0.000 1.053 237 E CA 0.047 56.459 56.400 0.019 0.000 0.869 237 E CB 0.241 29.936 29.700 -0.007 0.000 0.977 237 E HN 0.486 nan 8.360 nan 0.000 0.483 238 V N 0.507 120.455 119.914 0.056 0.000 4.262 238 V HA -0.050 4.073 4.120 0.005 0.000 0.188 238 V C 1.265 177.413 176.094 0.090 0.000 1.073 238 V CA 0.277 62.615 62.300 0.063 0.000 1.445 238 V CB -0.115 31.747 31.823 0.064 0.000 1.904 238 V HN 0.008 nan 8.190 nan 0.000 0.449 239 D N 0.983 121.454 120.400 0.118 0.000 2.183 239 D HA -0.042 4.600 4.640 0.005 0.000 0.203 239 D C 1.973 178.414 176.300 0.235 0.000 0.969 239 D CA 1.502 55.601 54.000 0.166 0.000 0.842 239 D CB -0.579 40.327 40.800 0.177 0.000 0.957 239 D HN 0.469 nan 8.370 nan 0.000 0.484 240 G N 1.132 110.066 108.800 0.223 0.000 2.628 240 G HA2 -0.342 3.621 3.960 0.005 0.000 0.217 240 G HA3 -0.342 3.621 3.960 0.005 0.000 0.217 240 G C 1.518 176.567 174.900 0.248 0.000 1.240 240 G CA 0.870 46.139 45.100 0.282 0.000 0.792 240 G HN 0.300 nan 8.290 nan 0.000 0.593 241 Q N -0.015 119.846 119.800 0.101 0.000 2.124 241 Q HA -0.043 4.300 4.340 0.005 0.000 0.202 241 Q C 2.679 178.680 176.000 0.001 0.000 0.977 241 Q CA 1.165 56.976 55.803 0.012 0.000 0.850 241 Q CB -0.113 28.616 28.738 -0.014 0.000 0.901 241 Q HN 0.464 nan 8.270 nan 0.000 0.429 242 K N 0.046 120.478 120.400 0.054 0.000 2.097 242 K HA -0.153 4.170 4.320 0.005 0.000 0.206 242 K C 1.867 178.486 176.600 0.031 0.000 1.049 242 K CA 1.093 57.404 56.287 0.040 0.000 0.933 242 K CB -0.213 32.328 32.500 0.069 0.000 0.717 242 K HN 0.119 nan 8.250 nan 0.000 0.442 243 F N 1.786 121.709 119.950 -0.045 0.000 2.134 243 F HA -0.191 4.339 4.527 0.006 0.000 0.299 243 F C 1.908 177.596 175.800 -0.186 0.000 1.097 243 F CA 0.954 58.871 58.000 -0.138 0.000 1.264 243 F CB -0.303 38.552 39.000 -0.243 0.000 1.001 243 F HN -0.294 nan 8.300 nan 0.000 0.479 244 V N 0.717 120.401 119.914 -0.384 0.000 2.287 244 V HA -0.314 3.809 4.120 0.005 0.000 0.248 244 V C 2.299 178.211 176.094 -0.303 0.000 1.053 244 V CA 2.369 64.305 62.300 -0.606 0.000 1.027 244 V CB -0.747 30.641 31.823 -0.725 0.000 0.646 244 V HN 0.357 nan 8.190 nan 0.000 0.447 245 E N -0.507 119.566 120.200 -0.211 0.000 2.077 245 E HA -0.241 4.112 4.350 0.005 0.000 0.193 245 E C 2.249 178.769 176.600 -0.134 0.000 0.989 245 E CA 1.520 57.845 56.400 -0.125 0.000 0.800 245 E CB -0.229 29.421 29.700 -0.084 0.000 0.746 245 E HN 0.537 nan 8.360 nan 0.000 0.452 246 M N 0.170 119.651 119.600 -0.200 0.000 2.086 246 M HA -0.136 4.347 4.480 0.005 0.000 0.261 246 M C 2.308 178.451 176.300 -0.261 0.000 1.067 246 M CA 1.565 56.742 55.300 -0.205 0.000 1.116 246 M CB -0.086 32.395 32.600 -0.198 0.000 1.348 246 M HN 0.099 nan 8.290 nan 0.000 0.407 247 A N -1.068 121.490 122.820 -0.437 0.000 2.218 247 A HA -0.065 4.257 4.320 0.005 0.000 0.209 247 A C 1.438 178.937 177.584 -0.142 0.000 1.168 247 A CA 0.832 52.637 52.037 -0.386 0.000 0.804 247 A CB -0.488 18.042 19.000 -0.783 0.000 0.834 247 A HN 0.377 nan 8.150 nan 0.000 0.482 248 D N 1.008 121.432 120.400 0.040 0.000 2.149 248 D HA -0.208 4.435 4.640 0.005 0.000 0.194 248 D C 2.297 178.604 176.300 0.010 0.000 1.001 248 D CA 2.209 56.301 54.000 0.154 0.000 0.849 248 D CB 0.036 40.918 40.800 0.136 0.000 0.939 248 D HN 0.516 nan 8.370 nan 0.000 0.449 249 S N -1.029 114.648 115.700 -0.038 0.000 2.453 249 S HA -0.057 4.416 4.470 0.005 0.000 0.231 249 S C 2.073 176.627 174.600 -0.077 0.000 1.005 249 S CA 0.419 58.590 58.200 -0.048 0.000 0.949 249 S CB -0.355 62.819 63.200 -0.043 0.000 0.774 249 S HN 0.329 nan 8.310 nan 0.000 0.510 250 L N 1.563 122.716 121.223 -0.117 0.000 2.375 250 L HA 0.271 4.613 4.340 0.005 0.000 0.215 250 L C 0.840 177.603 176.870 -0.178 0.000 1.108 250 L CA -0.019 54.743 54.840 -0.130 0.000 0.830 250 L CB 0.056 42.034 42.059 -0.135 0.000 0.959 250 L HN 0.363 nan 8.230 nan 0.000 0.457 251 V N -4.381 115.372 119.914 -0.268 0.000 2.612 251 V HA 0.345 4.468 4.120 0.005 0.000 0.301 251 V C 0.241 176.171 176.094 -0.274 0.000 1.046 251 V CA -0.600 61.474 62.300 -0.376 0.000 0.946 251 V CB 1.809 33.143 31.823 -0.815 0.000 1.003 251 V HN -0.015 nan 8.190 nan 0.000 0.459 252 D N 2.607 122.864 120.400 -0.238 0.000 2.346 252 D HA 0.224 4.867 4.640 0.005 0.000 0.206 252 D C 0.347 176.559 176.300 -0.147 0.000 1.001 252 D CA 1.105 55.015 54.000 -0.150 0.000 0.871 252 D CB 0.812 41.547 40.800 -0.109 0.000 0.943 252 D HN 0.727 nan 8.370 nan 0.000 0.518 253 M N -0.364 119.095 119.600 -0.235 0.000 2.389 253 M HA 0.247 4.730 4.480 0.005 0.000 0.291 253 M C -2.239 173.944 176.300 -0.195 0.000 1.128 253 M CA -0.571 54.639 55.300 -0.151 0.000 0.942 253 M CB 1.631 34.152 32.600 -0.132 0.000 1.783 253 M HN -0.242 nan 8.290 nan 0.000 0.501 254 W N 3.326 124.638 121.300 0.021 0.000 2.433 254 W HA 0.475 5.138 4.660 0.004 0.000 0.315 254 W C -0.421 176.173 176.519 0.126 0.000 1.087 254 W CA 0.165 57.570 57.345 0.101 0.000 1.205 254 W CB 1.010 30.530 29.460 0.100 0.000 1.288 254 W HN 0.453 nan 8.180 nan 0.000 0.504 255 D N 4.119 124.805 120.400 0.477 0.000 2.440 255 D HA 0.266 4.909 4.640 0.005 0.000 0.239 255 D C -0.971 175.582 176.300 0.423 0.000 1.084 255 D CA -0.324 53.917 54.000 0.402 0.000 0.843 255 D CB 0.827 41.947 40.800 0.533 0.000 1.097 255 D HN 0.079 nan 8.370 nan 0.000 0.531 256 I N 2.951 123.701 120.570 0.301 0.000 2.392 256 I HA 0.374 4.547 4.170 0.005 0.000 0.295 256 I C 1.013 177.192 176.117 0.102 0.000 0.985 256 I CA -0.466 60.961 61.300 0.211 0.000 1.221 256 I CB 1.212 39.295 38.000 0.139 0.000 1.366 256 I HN 0.418 nan 8.210 nan 0.000 0.467 257 T N 3.921 118.481 114.554 0.010 0.000 2.804 257 T HA 0.869 5.222 4.350 0.005 0.000 0.290 257 T C -0.468 174.106 174.700 -0.210 0.000 1.099 257 T CA -0.775 61.277 62.100 -0.080 0.000 1.011 257 T CB 2.394 71.202 68.868 -0.100 0.000 1.291 257 T HN 0.535 nan 8.240 nan 0.000 0.523 258 I N -2.501 117.904 120.570 -0.275 0.000 2.865 258 I HA 0.849 5.022 4.170 0.005 0.000 0.302 258 I C 0.236 176.151 176.117 -0.336 0.000 1.140 258 I CA -0.804 60.249 61.300 -0.410 0.000 1.021 258 I CB 1.606 39.181 38.000 -0.709 0.000 1.233 258 I HN 1.398 nan 8.210 nan 0.000 0.427 259 G N 3.118 111.715 108.800 -0.339 0.000 2.655 259 G HA2 0.009 3.972 3.960 0.005 0.000 0.680 259 G HA3 0.009 3.972 3.960 0.005 0.000 0.680 259 G C -1.247 173.581 174.900 -0.121 0.000 1.302 259 G CA 0.047 45.002 45.100 -0.242 0.000 0.872 259 G HN 1.229 nan 8.290 nan 0.000 0.540 260 D N -1.531 118.854 120.400 -0.025 0.000 2.577 260 D HA 0.674 5.317 4.640 0.005 0.000 0.248 260 D C 1.497 177.810 176.300 0.022 0.000 1.181 260 D CA 0.053 54.069 54.000 0.027 0.000 1.083 260 D CB 0.378 41.266 40.800 0.147 0.000 1.198 260 D HN 0.796 nan 8.370 nan 0.000 0.626 261 I N -0.256 120.242 120.570 -0.120 0.000 3.039 261 I HA 0.273 4.446 4.170 0.005 0.000 0.270 261 I C 2.077 178.045 176.117 -0.247 0.000 1.150 261 I CA 0.914 62.005 61.300 -0.348 0.000 1.448 261 I CB -0.601 36.923 38.000 -0.794 0.000 1.197 261 I HN 0.462 nan 8.210 nan 0.000 0.450 262 A N -0.156 122.591 122.820 -0.121 0.000 1.940 262 A HA -0.117 4.206 4.320 0.005 0.000 0.219 262 A C 1.564 179.237 177.584 0.149 0.000 1.176 262 A CA 1.596 53.672 52.037 0.065 0.000 0.631 262 A CB -0.492 18.607 19.000 0.166 0.000 0.814 262 A HN 0.577 nan 8.150 nan 0.000 0.446 263 E N 0.013 120.297 120.200 0.139 0.000 3.582 263 E HA 0.049 4.402 4.350 0.005 0.000 0.217 263 E C 0.252 176.903 176.600 0.087 0.000 1.092 263 E CA -0.502 55.949 56.400 0.085 0.000 1.365 263 E CB -0.037 29.677 29.700 0.022 0.000 1.278 263 E HN 0.915 nan 8.360 nan 0.000 0.439 264 W N 0.151 121.425 121.300 -0.044 0.000 3.096 264 W HA 0.140 4.802 4.660 0.004 0.000 0.241 264 W C 0.706 177.228 176.519 0.004 0.000 1.316 264 W CA 0.423 57.761 57.345 -0.011 0.000 1.520 264 W CB -0.776 28.689 29.460 0.008 0.000 1.128 264 W HN 0.120 nan 8.180 nan 0.000 0.707 265 G N 1.383 110.016 108.800 -0.277 0.000 2.559 265 G HA2 -0.240 3.723 3.960 0.005 0.000 0.216 265 G HA3 -0.240 3.723 3.960 0.005 0.000 0.216 265 G C 1.455 176.302 174.900 -0.089 0.000 1.126 265 G CA 0.428 45.374 45.100 -0.255 0.000 0.778 265 G HN 0.145 nan 8.290 nan 0.000 0.543 266 E N 0.667 120.811 120.200 -0.093 0.000 2.274 266 E HA -0.057 4.296 4.350 0.005 0.000 0.194 266 E C 1.829 178.326 176.600 -0.172 0.000 0.996 266 E CA 0.992 57.274 56.400 -0.196 0.000 0.840 266 E CB 0.091 29.634 29.700 -0.262 0.000 0.772 266 E HN 0.539 nan 8.360 nan 0.000 0.491 267 D N 0.589 120.978 120.400 -0.018 0.000 2.255 267 D HA -0.003 4.639 4.640 0.005 0.000 0.224 267 D C 0.615 176.993 176.300 0.130 0.000 0.997 267 D CA 1.060 55.107 54.000 0.077 0.000 0.906 267 D CB -0.159 40.806 40.800 0.275 0.000 1.047 267 D HN -0.029 nan 8.370 nan 0.000 0.458 268 A N 0.647 123.519 122.820 0.086 0.000 3.051 268 A HA 0.524 4.847 4.320 0.005 0.000 0.257 268 A C 0.883 178.436 177.584 -0.052 0.000 1.785 268 A CA 0.134 52.166 52.037 -0.008 0.000 1.420 268 A CB -1.301 17.570 19.000 -0.214 0.000 1.063 268 A HN 0.330 nan 8.150 nan 0.000 0.630 269 G N 2.131 110.922 108.800 -0.015 0.000 2.192 269 G HA2 0.355 4.317 3.960 0.005 0.000 0.258 269 G HA3 0.355 4.317 3.960 0.005 0.000 0.258 269 G C -2.636 172.285 174.900 0.035 0.000 1.185 269 G CA -0.456 44.601 45.100 -0.071 0.000 0.976 269 G HN 0.404 nan 8.290 nan 0.000 0.446 270 P HA 0.113 nan 4.420 nan 0.000 0.275 270 P C 1.153 178.484 177.300 0.052 0.000 1.228 270 P CA -0.318 62.843 63.100 0.102 0.000 0.786 270 P CB 1.270 33.065 31.700 0.158 0.000 0.927 271 S N 2.865 118.594 115.700 0.049 0.000 2.442 271 S HA -0.212 4.261 4.470 0.005 0.000 0.236 271 S C 1.824 176.342 174.600 -0.136 0.000 1.007 271 S CA 0.655 58.860 58.200 0.008 0.000 0.965 271 S CB -0.741 62.508 63.200 0.082 0.000 0.773 271 S HN 0.425 nan 8.310 nan 0.000 0.504 272 R N 0.312 120.663 120.500 -0.247 0.000 2.127 272 R HA -0.059 4.284 4.340 0.005 0.000 0.238 272 R C 1.048 176.841 176.300 -0.845 0.000 1.134 272 R CA 1.769 57.501 56.100 -0.614 0.000 0.975 272 R CB -0.202 29.602 30.300 -0.827 0.000 0.865 272 R HN 0.590 nan 8.270 nan 0.000 0.447 273 F N -2.565 117.196 119.950 -0.315 0.000 2.711 273 F HA 0.274 4.804 4.527 0.006 0.000 0.296 273 F C -0.164 175.143 175.800 -0.822 0.000 1.096 273 F CA -0.715 56.916 58.000 -0.615 0.000 1.280 273 F CB 0.530 39.004 39.000 -0.876 0.000 1.060 273 F HN -0.179 nan 8.300 nan 0.000 0.608 274 Y N 0.875 121.174 120.300 -0.001 0.000 2.462 274 Y HA 0.490 5.043 4.550 0.005 0.000 0.346 274 Y C -0.077 175.771 175.900 -0.086 0.000 0.976 274 Y CA -1.726 56.310 58.100 -0.106 0.000 1.044 274 Y CB 1.047 39.224 38.460 -0.473 0.000 1.230 274 Y HN -0.165 nan 8.280 nan 0.000 0.455 275 Q N 0.811 120.715 119.800 0.173 0.000 2.199 275 Q HA 0.252 4.595 4.340 0.005 0.000 0.232 275 Q C -0.537 175.577 176.000 0.190 0.000 0.969 275 Q CA -1.194 54.699 55.803 0.149 0.000 0.925 275 Q CB 1.222 30.048 28.738 0.146 0.000 1.198 275 Q HN 0.642 nan 8.270 nan 0.000 0.494 276 Q N -0.251 119.641 119.800 0.153 0.000 2.315 276 Q HA 0.106 4.449 4.340 0.005 0.000 0.289 276 Q C 0.357 176.418 176.000 0.103 0.000 1.044 276 Q CA 1.123 56.982 55.803 0.092 0.000 0.920 276 Q CB -0.011 28.803 28.738 0.127 0.000 1.214 276 Q HN 0.871 nan 8.270 nan 0.000 0.392 277 G N 3.082 111.826 108.800 -0.093 0.000 2.143 277 G HA2 -0.349 3.614 3.960 0.005 0.000 0.248 277 G HA3 -0.349 3.614 3.960 0.005 0.000 0.248 277 G C 0.166 175.130 174.900 0.107 0.000 0.991 277 G CA 0.828 45.966 45.100 0.063 0.000 0.689 277 G HN 1.120 nan 8.290 nan 0.000 0.522 278 H N -1.406 117.691 119.070 0.045 0.000 2.489 278 H HA 0.027 4.586 4.556 0.004 0.000 0.295 278 H C 2.374 177.788 175.328 0.144 0.000 1.082 278 H CA 2.023 58.135 56.048 0.105 0.000 1.295 278 H CB -0.308 29.506 29.762 0.087 0.000 1.380 278 H HN 0.509 nan 8.280 nan 0.000 0.548 279 T N -1.780 112.543 114.554 -0.386 0.000 3.081 279 T HA 0.117 4.469 4.350 0.005 0.000 0.255 279 T C 1.876 176.655 174.700 0.133 0.000 1.113 279 T CA 0.339 62.358 62.100 -0.136 0.000 1.082 279 T CB -0.351 68.308 68.868 -0.349 0.000 0.939 279 T HN 0.378 nan 8.240 nan 0.000 0.506 280 I N 2.216 122.822 120.570 0.060 0.000 2.143 280 I HA -0.164 4.008 4.170 0.005 0.000 0.245 280 I C -0.603 175.416 176.117 -0.162 0.000 1.068 280 I CA 1.597 62.879 61.300 -0.030 0.000 1.326 280 I CB -1.255 36.720 38.000 -0.041 0.000 1.028 280 I HN 0.239 nan 8.210 nan 0.000 0.412 281 P HA -0.184 nan 4.420 nan 0.000 0.218 281 P C 1.335 178.366 177.300 -0.448 0.000 1.148 281 P CA 1.572 64.397 63.100 -0.458 0.000 0.822 281 P CB -0.119 31.121 31.700 -0.766 0.000 0.784 282 W N -1.414 119.795 121.300 -0.152 0.000 2.526 282 W HA 0.026 4.688 4.660 0.004 0.000 0.294 282 W C 2.014 178.450 176.519 -0.139 0.000 1.181 282 W CA 0.331 57.590 57.345 -0.142 0.000 1.373 282 W CB -1.049 28.322 29.460 -0.150 0.000 1.112 282 W HN -0.267 nan 8.180 nan 0.000 0.545 283 V N 2.167 122.152 119.914 0.120 0.000 2.332 283 V HA -0.353 3.770 4.120 0.005 0.000 0.248 283 V C 2.433 178.521 176.094 -0.010 0.000 1.055 283 V CA 2.636 64.965 62.300 0.047 0.000 1.038 283 V CB -1.039 30.825 31.823 0.068 0.000 0.651 283 V HN 0.222 nan 8.190 nan 0.000 0.450 284 K N 0.537 120.882 120.400 -0.092 0.000 2.209 284 K HA -0.144 4.179 4.320 0.005 0.000 0.204 284 K C 2.003 178.559 176.600 -0.073 0.000 1.048 284 K CA 1.684 57.904 56.287 -0.111 0.000 0.940 284 K CB -0.546 31.734 32.500 -0.367 0.000 0.729 284 K HN 0.396 nan 8.250 nan 0.000 0.451 285 L N 1.361 122.532 121.223 -0.088 0.000 2.191 285 L HA -0.150 4.192 4.340 0.005 0.000 0.212 285 L C 2.356 179.182 176.870 -0.073 0.000 1.103 285 L CA 0.602 55.397 54.840 -0.076 0.000 0.769 285 L CB -0.334 41.682 42.059 -0.072 0.000 0.908 285 L HN 0.056 nan 8.230 nan 0.000 0.438 286 V N -0.845 119.022 119.914 -0.079 0.000 2.323 286 V HA -0.187 3.936 4.120 0.005 0.000 0.244 286 V C 2.534 178.553 176.094 -0.125 0.000 1.041 286 V CA 1.308 63.522 62.300 -0.143 0.000 1.025 286 V CB -0.438 31.289 31.823 -0.159 0.000 0.656 286 V HN 0.325 nan 8.190 nan 0.000 0.451 287 K N 0.136 120.506 120.400 -0.050 0.000 2.103 287 K HA -0.237 4.086 4.320 0.005 0.000 0.207 287 K C 2.170 178.758 176.600 -0.020 0.000 1.048 287 K CA 1.501 57.780 56.287 -0.013 0.000 0.930 287 K CB -0.433 32.089 32.500 0.037 0.000 0.716 287 K HN 0.545 nan 8.250 nan 0.000 0.444 288 Q N 0.678 120.463 119.800 -0.025 0.000 2.248 288 Q HA -0.150 4.193 4.340 0.005 0.000 0.208 288 Q C 1.610 177.587 176.000 -0.039 0.000 0.984 288 Q CA 1.762 57.551 55.803 -0.024 0.000 0.875 288 Q CB 0.255 28.975 28.738 -0.031 0.000 0.910 288 Q HN 0.248 nan 8.270 nan 0.000 0.433 289 V N -4.322 115.552 119.914 -0.067 0.000 3.548 289 V HA 0.316 4.439 4.120 0.005 0.000 0.279 289 V C 0.542 176.588 176.094 -0.081 0.000 1.446 289 V CA 0.003 62.258 62.300 -0.073 0.000 1.023 289 V CB 0.943 32.712 31.823 -0.091 0.000 0.820 289 V HN 0.085 nan 8.190 nan 0.000 0.438 290 S N 0.873 116.518 115.700 -0.091 0.000 2.646 290 S HA 0.495 4.967 4.470 0.005 0.000 0.276 290 S C 0.615 175.226 174.600 0.019 0.000 1.222 290 S CA -0.602 57.571 58.200 -0.046 0.000 1.014 290 S CB 1.256 64.400 63.200 -0.093 0.000 0.991 290 S HN 0.425 nan 8.310 nan 0.000 0.533 291 K N 1.791 122.227 120.400 0.060 0.000 2.387 291 K HA 0.293 4.616 4.320 0.005 0.000 0.203 291 K C -0.350 176.293 176.600 0.071 0.000 1.030 291 K CA -0.093 56.223 56.287 0.048 0.000 1.099 291 K CB 0.336 32.855 32.500 0.033 0.000 0.863 291 K HN 0.343 nan 8.250 nan 0.000 0.529 292 K N 1.145 121.623 120.400 0.131 0.000 2.238 292 K HA 0.453 4.776 4.320 0.005 0.000 0.239 292 K C -2.728 173.957 176.600 0.143 0.000 0.987 292 K CA -2.579 53.789 56.287 0.134 0.000 0.857 292 K CB 0.725 33.327 32.500 0.170 0.000 1.154 292 K HN -0.265 nan 8.250 nan 0.000 0.439 293 P HA 0.059 nan 4.420 nan 0.000 0.264 293 P C -0.733 176.637 177.300 0.116 0.000 1.193 293 P CA -0.021 63.117 63.100 0.062 0.000 0.763 293 P CB 0.496 32.202 31.700 0.011 0.000 0.810 294 V N 4.633 124.606 119.914 0.098 0.000 2.769 294 V HA 0.641 4.764 4.120 0.005 0.000 0.312 294 V C -0.014 176.122 176.094 0.069 0.000 1.061 294 V CA -0.591 61.790 62.300 0.135 0.000 0.931 294 V CB 1.664 33.555 31.823 0.115 0.000 1.010 294 V HN 0.371 nan 8.190 nan 0.000 0.433 295 L N 1.717 122.994 121.223 0.090 0.000 2.465 295 L HA 1.114 5.457 4.340 0.005 0.000 0.257 295 L C -0.415 176.532 176.870 0.128 0.000 0.988 295 L CA -0.369 54.509 54.840 0.063 0.000 0.827 295 L CB 2.243 44.288 42.059 -0.024 0.000 1.397 295 L HN 0.746 nan 8.230 nan 0.000 0.410 296 G N 1.502 110.392 108.800 0.150 0.000 2.608 296 G HA2 0.577 4.540 3.960 0.005 0.000 0.285 296 G HA3 0.577 4.540 3.960 0.005 0.000 0.285 296 G C -0.577 174.464 174.900 0.235 0.000 1.407 296 G CA -0.134 45.068 45.100 0.168 0.000 1.276 296 G HN 1.264 nan 8.290 nan 0.000 0.587 297 V N 0.872 120.908 119.914 0.202 0.000 3.332 297 V HA 0.769 4.892 4.120 0.005 0.000 0.305 297 V C 1.002 177.119 176.094 0.039 0.000 1.114 297 V CA 0.686 63.106 62.300 0.200 0.000 1.194 297 V CB 1.544 33.455 31.823 0.148 0.000 1.027 297 V HN 1.765 nan 8.190 nan 0.000 0.492 298 G N 1.613 110.293 108.800 -0.200 0.000 5.473 298 G HA2 0.251 4.214 3.960 0.005 0.000 0.206 298 G HA3 0.251 4.214 3.960 0.005 0.000 0.206 298 G C 0.220 174.786 174.900 -0.555 0.000 0.904 298 G CA -0.113 44.670 45.100 -0.528 0.000 0.697 298 G HN 1.149 nan 8.290 nan 0.000 0.279 299 R N -0.473 119.906 120.500 -0.202 0.000 3.333 299 R HA -0.215 4.127 4.340 0.005 0.000 0.256 299 R C -0.738 175.516 176.300 -0.077 0.000 1.010 299 R CA 0.229 56.295 56.100 -0.056 0.000 0.680 299 R CB -1.708 28.613 30.300 0.033 0.000 1.102 299 R HN 0.405 nan 8.270 nan 0.000 0.440 300 Y N -0.306 120.099 120.300 0.175 0.000 2.480 300 Y HA 0.070 4.623 4.550 0.005 0.000 0.341 300 Y C 1.828 177.836 175.900 0.180 0.000 1.031 300 Y CA 0.686 58.883 58.100 0.162 0.000 1.295 300 Y CB 1.225 39.768 38.460 0.139 0.000 1.162 300 Y HN 0.280 nan 8.280 nan 0.000 0.523 301 T N -2.915 111.814 114.554 0.292 0.000 2.993 301 T HA 0.094 4.447 4.350 0.005 0.000 0.260 301 T C -0.156 174.650 174.700 0.177 0.000 0.939 301 T CA -0.222 62.012 62.100 0.222 0.000 0.886 301 T CB 0.191 69.150 68.868 0.151 0.000 1.209 301 T HN 0.373 nan 8.240 nan 0.000 0.518 302 D N 2.659 123.161 120.400 0.171 0.000 2.317 302 D HA 0.410 5.053 4.640 0.005 0.000 0.234 302 D C -1.878 174.464 176.300 0.070 0.000 1.112 302 D CA -2.608 51.456 54.000 0.107 0.000 0.840 302 D CB 2.046 42.904 40.800 0.096 0.000 1.078 302 D HN -0.096 nan 8.370 nan 0.000 0.486 303 P HA -0.145 nan 4.420 nan 0.000 0.217 303 P C 0.944 178.150 177.300 -0.157 0.000 1.148 303 P CA 0.929 63.928 63.100 -0.169 0.000 0.828 303 P CB 0.401 31.852 31.700 -0.415 0.000 0.783 304 E N -0.392 119.786 120.200 -0.037 0.000 2.106 304 E HA -0.182 4.171 4.350 0.005 0.000 0.192 304 E C 1.911 178.529 176.600 0.029 0.000 0.984 304 E CA 1.175 57.600 56.400 0.043 0.000 0.806 304 E CB -0.391 29.342 29.700 0.054 0.000 0.750 304 E HN 0.151 nan 8.360 nan 0.000 0.458 305 K N 0.714 121.142 120.400 0.048 0.000 2.103 305 K HA 0.022 4.345 4.320 0.005 0.000 0.204 305 K C 2.092 178.670 176.600 -0.037 0.000 1.052 305 K CA 0.886 57.220 56.287 0.078 0.000 0.945 305 K CB -0.163 32.461 32.500 0.206 0.000 0.722 305 K HN 0.027 nan 8.250 nan 0.000 0.443 306 M N 0.409 119.952 119.600 -0.095 0.000 2.086 306 M HA -0.117 4.366 4.480 0.005 0.000 0.261 306 M C 2.076 178.251 176.300 -0.209 0.000 1.067 306 M CA 1.909 57.063 55.300 -0.243 0.000 1.116 306 M CB -0.572 31.891 32.600 -0.229 0.000 1.348 306 M HN 0.240 nan 8.290 nan 0.000 0.407 307 I N -1.778 118.720 120.570 -0.120 0.000 2.493 307 I HA -0.185 3.988 4.170 0.005 0.000 0.254 307 I C 2.170 178.233 176.117 -0.091 0.000 1.160 307 I CA 1.541 62.794 61.300 -0.078 0.000 1.445 307 I CB -0.709 37.309 38.000 0.031 0.000 1.086 307 I HN 0.375 nan 8.210 nan 0.000 0.433 308 E N 2.409 122.562 120.200 -0.078 0.000 2.051 308 E HA -0.239 4.114 4.350 0.005 0.000 0.192 308 E C 2.372 178.866 176.600 -0.177 0.000 0.991 308 E CA 2.226 58.571 56.400 -0.092 0.000 0.799 308 E CB -0.257 29.429 29.700 -0.024 0.000 0.748 308 E HN 0.820 nan 8.360 nan 0.000 0.449 309 I N -1.622 118.860 120.570 -0.148 0.000 2.394 309 I HA -0.151 4.022 4.170 0.005 0.000 0.251 309 I C 2.127 178.127 176.117 -0.196 0.000 1.136 309 I CA 0.717 61.936 61.300 -0.136 0.000 1.425 309 I CB -0.297 37.671 38.000 -0.053 0.000 1.079 309 I HN -0.069 nan 8.210 nan 0.000 0.425 310 V N 2.412 122.216 119.914 -0.184 0.000 2.270 310 V HA -0.238 3.885 4.120 0.005 0.000 0.245 310 V C 3.010 179.012 176.094 -0.153 0.000 1.043 310 V CA 2.684 64.892 62.300 -0.154 0.000 1.014 310 V CB -1.268 30.464 31.823 -0.151 0.000 0.645 310 V HN 0.714 nan 8.190 nan 0.000 0.447 311 T N -1.914 112.548 114.554 -0.155 0.000 2.867 311 T HA -0.189 4.164 4.350 0.005 0.000 0.268 311 T C 1.725 176.307 174.700 -0.196 0.000 1.057 311 T CA 1.187 63.204 62.100 -0.138 0.000 1.136 311 T CB -0.330 68.477 68.868 -0.101 0.000 0.874 311 T HN 0.387 nan 8.240 nan 0.000 0.466 312 K N 0.911 121.110 120.400 -0.335 0.000 2.486 312 K HA 0.216 4.539 4.320 0.005 0.000 0.194 312 K C 1.416 177.739 176.600 -0.462 0.000 1.033 312 K CA 0.413 56.394 56.287 -0.509 0.000 1.004 312 K CB -0.271 31.649 32.500 -0.967 0.000 0.798 312 K HN 0.611 nan 8.250 nan 0.000 0.495 313 G N 0.950 109.580 108.800 -0.283 0.000 2.160 313 G HA2 -0.247 3.716 3.960 0.005 0.000 0.244 313 G HA3 -0.247 3.716 3.960 0.005 0.000 0.244 313 G C 0.261 175.203 174.900 0.071 0.000 1.022 313 G CA 0.051 45.095 45.100 -0.093 0.000 0.741 313 G HN 0.234 nan 8.290 nan 0.000 0.508 314 Y N -0.497 119.783 120.300 -0.033 0.000 2.448 314 Y HA 0.583 5.137 4.550 0.005 0.000 0.289 314 Y C 1.670 177.555 175.900 -0.024 0.000 1.114 314 Y CA 0.355 58.440 58.100 -0.025 0.000 1.235 314 Y CB 0.062 38.511 38.460 -0.017 0.000 1.045 314 Y HN 0.982 nan 8.280 nan 0.000 0.554 315 A N -0.940 121.942 122.820 0.103 0.000 2.601 315 A HA 0.507 4.829 4.320 0.005 0.000 0.291 315 A C -0.366 177.207 177.584 -0.019 0.000 1.075 315 A CA -0.425 51.635 52.037 0.039 0.000 0.671 315 A CB 0.472 19.488 19.000 0.025 0.000 1.277 315 A HN 0.070 nan 8.150 nan 0.000 0.417 316 D N -0.280 120.105 120.400 -0.026 0.000 2.423 316 D HA 0.252 4.895 4.640 0.005 0.000 0.212 316 D C 0.069 176.318 176.300 -0.085 0.000 1.060 316 D CA 0.959 54.929 54.000 -0.050 0.000 0.872 316 D CB 0.755 41.540 40.800 -0.025 0.000 1.012 316 D HN 0.480 nan 8.370 nan 0.000 0.503 317 I N 1.338 121.856 120.570 -0.087 0.000 2.828 317 I HA 0.233 4.406 4.170 0.005 0.000 0.302 317 I C -0.680 175.372 176.117 -0.109 0.000 1.101 317 I CA -0.963 60.271 61.300 -0.110 0.000 1.031 317 I CB 3.020 40.953 38.000 -0.112 0.000 1.231 317 I HN -0.300 nan 8.210 nan 0.000 0.427 318 I N 3.667 124.154 120.570 -0.138 0.000 2.307 318 I HA 0.292 4.465 4.170 0.005 0.000 0.287 318 I C 0.672 176.897 176.117 0.179 0.000 1.054 318 I CA -0.065 61.179 61.300 -0.092 0.000 1.218 318 I CB 0.230 38.042 38.000 -0.313 0.000 1.398 318 I HN 0.595 nan 8.210 nan 0.000 0.475 319 G N 5.399 114.348 108.800 0.248 0.000 2.372 319 G HA2 0.490 4.453 3.960 0.005 0.000 0.283 319 G HA3 0.490 4.453 3.960 0.005 0.000 0.283 319 G C -0.657 174.480 174.900 0.395 0.000 1.177 319 G CA -0.070 45.258 45.100 0.380 0.000 0.842 319 G HN 0.660 nan 8.290 nan 0.000 0.503 320 C N 0.531 120.056 119.300 0.374 0.000 3.090 320 C HA 0.842 5.304 4.460 0.005 0.000 0.305 320 C C 0.999 176.028 174.990 0.065 0.000 1.292 320 C CA 0.263 59.438 59.018 0.262 0.000 1.482 320 C CB 1.534 29.513 27.740 0.399 0.000 1.897 320 C HN 1.010 nan 8.230 nan 0.000 0.469 321 A N 1.139 123.949 122.820 -0.016 0.000 1.922 321 A HA 0.304 4.626 4.320 0.005 0.000 0.192 321 A C 1.830 179.211 177.584 -0.340 0.000 2.007 321 A CA -0.092 51.815 52.037 -0.217 0.000 1.054 321 A CB -0.382 18.531 19.000 -0.145 0.000 1.106 321 A HN 0.781 nan 8.150 nan 0.000 0.639 322 R N 0.369 120.758 120.500 -0.186 0.000 2.083 322 R HA -0.082 4.261 4.340 0.005 0.000 0.237 322 R C -0.915 175.363 176.300 -0.036 0.000 1.137 322 R CA 2.018 58.043 56.100 -0.125 0.000 0.951 322 R CB -1.361 28.910 30.300 -0.048 0.000 0.851 322 R HN 0.353 nan 8.270 nan 0.000 0.434 323 P HA -0.165 nan 4.420 nan 0.000 0.219 323 P C 1.214 178.624 177.300 0.182 0.000 1.146 323 P CA 1.724 64.918 63.100 0.157 0.000 0.808 323 P CB 0.035 31.900 31.700 0.275 0.000 0.779 324 S N -1.725 113.990 115.700 0.025 0.000 2.436 324 S HA -0.036 4.437 4.470 0.005 0.000 0.228 324 S C 1.866 176.438 174.600 -0.048 0.000 1.014 324 S CA 0.624 58.749 58.200 -0.125 0.000 0.950 324 S CB -1.298 61.383 63.200 -0.865 0.000 0.784 324 S HN 0.058 nan 8.310 nan 0.000 0.504 325 I N 1.973 122.523 120.570 -0.034 0.000 2.277 325 I HA -0.000 4.172 4.170 0.005 0.000 0.243 325 I C 3.087 179.253 176.117 0.082 0.000 1.094 325 I CA 0.995 62.339 61.300 0.073 0.000 1.393 325 I CB -0.635 37.369 38.000 0.008 0.000 1.078 325 I HN 0.410 nan 8.210 nan 0.000 0.417 326 A N -0.616 122.233 122.820 0.048 0.000 1.902 326 A HA -0.192 4.131 4.320 0.005 0.000 0.217 326 A C 1.034 178.642 177.584 0.040 0.000 1.181 326 A CA 1.657 53.711 52.037 0.028 0.000 0.623 326 A CB -0.169 18.840 19.000 0.014 0.000 0.818 326 A HN 0.390 nan 8.150 nan 0.000 0.443 327 D N -2.545 117.922 120.400 0.112 0.000 2.330 327 D HA 0.364 5.007 4.640 0.005 0.000 0.249 327 D C -2.435 174.047 176.300 0.304 0.000 1.306 327 D CA -1.710 52.391 54.000 0.168 0.000 0.956 327 D CB 1.298 42.186 40.800 0.147 0.000 1.261 327 D HN -0.092 nan 8.370 nan 0.000 0.544 328 P HA -0.016 nan 4.420 nan 0.000 0.221 328 P C 0.703 178.289 177.300 0.477 0.000 1.145 328 P CA 0.748 64.056 63.100 0.347 0.000 0.795 328 P CB 0.074 31.894 31.700 0.199 0.000 0.775 329 F N -1.898 118.145 119.950 0.154 0.000 2.639 329 F HA 0.225 4.755 4.527 0.005 0.000 0.300 329 F C 1.799 177.567 175.800 -0.054 0.000 1.109 329 F CA -0.358 57.671 58.000 0.048 0.000 1.335 329 F CB -0.946 38.077 39.000 0.038 0.000 1.014 329 F HN -0.181 nan 8.300 nan 0.000 0.537 330 L N 1.127 122.407 121.223 0.095 0.000 2.013 330 L HA -0.189 4.154 4.340 0.005 0.000 0.212 330 L C -0.602 176.009 176.870 -0.432 0.000 1.073 330 L CA 2.007 56.801 54.840 -0.077 0.000 0.753 330 L CB -1.034 41.058 42.059 0.056 0.000 0.890 330 L HN 0.020 nan 8.230 nan 0.000 0.432 331 P HA -0.222 nan 4.420 nan 0.000 0.216 331 P C 1.274 178.293 177.300 -0.469 0.000 1.153 331 P CA 1.333 63.698 63.100 -1.225 0.000 0.848 331 P CB -0.060 30.768 31.700 -1.452 0.000 0.787 332 Q N 0.420 120.027 119.800 -0.321 0.000 2.084 332 Q HA -0.213 4.130 4.340 0.005 0.000 0.202 332 Q C 1.906 177.846 176.000 -0.101 0.000 0.978 332 Q CA 1.787 57.501 55.803 -0.148 0.000 0.844 332 Q CB -0.279 28.435 28.738 -0.041 0.000 0.898 332 Q HN 0.157 nan 8.270 nan 0.000 0.426 333 K N -0.484 119.879 120.400 -0.062 0.000 2.097 333 K HA -0.120 4.203 4.320 0.005 0.000 0.206 333 K C 2.035 178.537 176.600 -0.163 0.000 1.049 333 K CA 1.437 57.683 56.287 -0.069 0.000 0.933 333 K CB 0.026 32.528 32.500 0.003 0.000 0.717 333 K HN 0.088 nan 8.250 nan 0.000 0.442 334 V N 1.426 121.279 119.914 -0.102 0.000 2.379 334 V HA -0.212 3.910 4.120 0.005 0.000 0.245 334 V C 2.287 178.387 176.094 0.010 0.000 1.044 334 V CA 1.692 64.000 62.300 0.013 0.000 1.036 334 V CB -0.333 31.617 31.823 0.212 0.000 0.664 334 V HN 0.371 nan 8.190 nan 0.000 0.453 335 E N 0.032 120.186 120.200 -0.075 0.000 2.085 335 E HA -0.277 4.076 4.350 0.005 0.000 0.194 335 E C 2.117 178.526 176.600 -0.318 0.000 0.994 335 E CA 1.452 57.547 56.400 -0.509 0.000 0.801 335 E CB -0.030 29.212 29.700 -0.763 0.000 0.743 335 E HN 0.670 nan 8.360 nan 0.000 0.453 336 Q N -1.248 118.411 119.800 -0.235 0.000 2.403 336 Q HA 0.091 4.434 4.340 0.005 0.000 0.203 336 Q C 0.970 176.837 176.000 -0.223 0.000 0.932 336 Q CA 0.406 56.096 55.803 -0.188 0.000 0.945 336 Q CB 0.813 29.473 28.738 -0.130 0.000 1.045 336 Q HN 0.489 nan 8.270 nan 0.000 0.511 337 G N 1.830 110.404 108.800 -0.376 0.000 2.148 337 G HA2 -0.327 3.635 3.960 0.005 0.000 0.254 337 G HA3 -0.327 3.635 3.960 0.005 0.000 0.254 337 G C 0.224 174.709 174.900 -0.692 0.000 0.981 337 G CA -0.060 44.650 45.100 -0.651 0.000 0.670 337 G HN 0.298 nan 8.290 nan 0.000 0.528 338 R N 0.195 120.426 120.500 -0.448 0.000 4.792 338 R HA 0.335 4.678 4.340 0.005 0.000 0.205 338 R C 1.221 177.429 176.300 -0.154 0.000 1.875 338 R CA -0.257 55.714 56.100 -0.215 0.000 1.588 338 R CB -0.418 29.823 30.300 -0.097 0.000 1.401 338 R HN 0.596 nan 8.270 nan 0.000 0.834 339 Y N 0.803 121.147 120.300 0.072 0.000 2.207 339 Y HA -0.284 4.269 4.550 0.005 0.000 0.287 339 Y C 2.229 178.172 175.900 0.071 0.000 1.156 339 Y CA 1.255 59.401 58.100 0.078 0.000 1.182 339 Y CB -0.072 38.443 38.460 0.091 0.000 0.979 339 Y HN 0.398 nan 8.280 nan 0.000 0.521 340 D N -0.785 119.732 120.400 0.195 0.000 2.371 340 D HA -0.133 4.509 4.640 0.005 0.000 0.221 340 D C 0.659 177.028 176.300 0.115 0.000 0.986 340 D CA 0.895 54.973 54.000 0.131 0.000 0.899 340 D CB -0.388 40.464 40.800 0.087 0.000 0.902 340 D HN 0.334 nan 8.370 nan 0.000 0.530 341 D N 0.161 120.632 120.400 0.120 0.000 2.360 341 D HA 0.154 4.797 4.640 0.005 0.000 0.210 341 D C 0.669 177.120 176.300 0.251 0.000 1.047 341 D CA -0.218 53.875 54.000 0.155 0.000 0.854 341 D CB 0.624 41.480 40.800 0.095 0.000 0.936 341 D HN 0.343 nan 8.370 nan 0.000 0.514 342 I N 1.548 122.239 120.570 0.203 0.000 2.587 342 I HA -0.002 4.171 4.170 0.005 0.000 0.284 342 I C 1.004 177.210 176.117 0.149 0.000 1.134 342 I CA 0.044 61.444 61.300 0.166 0.000 1.410 342 I CB 0.521 38.607 38.000 0.143 0.000 1.392 342 I HN -0.400 nan 8.210 nan 0.000 0.545 343 R N 6.526 127.022 120.500 -0.008 0.000 2.296 343 R HA 0.321 4.664 4.340 0.005 0.000 0.327 343 R C -0.954 175.261 176.300 -0.141 0.000 1.137 343 R CA -0.502 55.380 56.100 -0.363 0.000 1.020 343 R CB 0.377 30.324 30.300 -0.589 0.000 1.110 343 R HN 0.452 nan 8.270 nan 0.000 0.499 344 V N 4.865 124.736 119.914 -0.071 0.000 2.572 344 V HA -0.040 4.083 4.120 0.005 0.000 0.291 344 V C 0.911 177.049 176.094 0.073 0.000 1.039 344 V CA -0.687 61.612 62.300 -0.002 0.000 1.055 344 V CB 0.764 32.514 31.823 -0.122 0.000 0.969 344 V HN 0.825 nan 8.190 nan 0.000 0.482 345 C N 6.923 126.281 119.300 0.096 0.000 2.634 345 C HA 0.222 4.685 4.460 0.005 0.000 0.418 345 C C 1.746 176.835 174.990 0.166 0.000 1.373 345 C CA -0.181 58.892 59.018 0.092 0.000 1.756 345 C CB -1.272 26.516 27.740 0.079 0.000 2.589 345 C HN 0.933 nan 8.230 nan 0.000 0.602 346 I N 3.707 124.323 120.570 0.078 0.000 3.812 346 I HA 0.322 4.495 4.170 0.005 0.000 0.320 346 I C 1.434 177.544 176.117 -0.011 0.000 1.276 346 I CA 0.561 61.881 61.300 0.034 0.000 1.164 346 I CB -0.856 37.052 38.000 -0.153 0.000 1.009 346 I HN 0.928 nan 8.210 nan 0.000 0.431 347 G N 2.286 111.094 108.800 0.013 0.000 2.283 347 G HA2 -0.356 3.607 3.960 0.005 0.000 0.280 347 G HA3 -0.356 3.607 3.960 0.005 0.000 0.280 347 G C 0.854 175.777 174.900 0.038 0.000 1.029 347 G CA 0.500 45.622 45.100 0.036 0.000 0.840 347 G HN 0.850 nan 8.290 nan 0.000 0.505 348 C N -2.144 117.093 119.300 -0.105 0.000 2.495 348 C HA 0.271 4.733 4.460 0.005 0.000 0.275 348 C C 1.652 176.671 174.990 0.048 0.000 1.392 348 C CA 0.377 59.322 59.018 -0.121 0.000 1.766 348 C CB -0.579 26.800 27.740 -0.601 0.000 1.933 348 C HN 0.785 nan 8.230 nan 0.000 0.519 349 N N 0.025 118.735 118.700 0.016 0.000 2.741 349 N HA -0.143 4.600 4.740 0.005 0.000 0.251 349 N C 0.556 176.113 175.510 0.078 0.000 1.112 349 N CA 1.024 54.094 53.050 0.032 0.000 0.750 349 N CB -1.799 36.700 38.487 0.020 0.000 1.119 349 N HN 0.547 nan 8.380 nan 0.000 0.561 350 V N -0.358 119.605 119.914 0.082 0.000 2.667 350 V HA -0.248 3.875 4.120 0.005 0.000 0.252 350 V C 2.463 178.619 176.094 0.103 0.000 1.065 350 V CA 1.829 64.211 62.300 0.137 0.000 1.083 350 V CB -0.632 31.261 31.823 0.116 0.000 0.692 350 V HN 0.771 nan 8.190 nan 0.000 0.468 351 C N -0.379 118.958 119.300 0.063 0.000 2.429 351 C HA -0.091 4.372 4.460 0.005 0.000 0.277 351 C C 2.423 177.478 174.990 0.108 0.000 1.262 351 C CA 0.365 59.422 59.018 0.064 0.000 1.733 351 C CB -1.373 26.384 27.740 0.028 0.000 2.010 351 C HN 0.491 nan 8.230 nan 0.000 0.483 352 I N 3.069 123.706 120.570 0.111 0.000 2.226 352 I HA -0.188 3.985 4.170 0.005 0.000 0.245 352 I C 2.991 179.250 176.117 0.237 0.000 1.100 352 I CA 2.018 63.437 61.300 0.199 0.000 1.374 352 I CB -0.454 37.593 38.000 0.077 0.000 1.057 352 I HN 0.581 nan 8.210 nan 0.000 0.413 353 S N 1.067 116.849 115.700 0.136 0.000 2.402 353 S HA -0.216 4.256 4.470 0.005 0.000 0.233 353 S C 2.173 176.757 174.600 -0.026 0.000 1.030 353 S CA 0.890 59.125 58.200 0.058 0.000 1.003 353 S CB -0.319 62.866 63.200 -0.025 0.000 0.813 353 S HN 0.312 nan 8.310 nan 0.000 0.477 354 R N 0.050 120.578 120.500 0.046 0.000 2.075 354 R HA 0.015 4.358 4.340 0.005 0.000 0.232 354 R C 1.844 178.153 176.300 0.015 0.000 1.126 354 R CA 1.319 57.420 56.100 0.002 0.000 0.963 354 R CB -1.385 28.941 30.300 0.043 0.000 0.858 354 R HN 0.734 nan 8.270 nan 0.000 0.435 355 W N 2.730 124.008 121.300 -0.037 0.000 2.354 355 W HA -0.129 4.533 4.660 0.004 0.000 0.315 355 W C 1.816 178.308 176.519 -0.044 0.000 1.206 355 W CA 1.233 58.557 57.345 -0.034 0.000 1.290 355 W CB -0.129 29.338 29.460 0.011 0.000 1.152 355 W HN 0.030 nan 8.180 nan 0.000 0.489 356 E N 0.428 120.601 120.200 -0.045 0.000 2.118 356 E HA -0.239 4.114 4.350 0.005 0.000 0.195 356 E C 2.174 178.578 176.600 -0.327 0.000 0.992 356 E CA 1.965 58.250 56.400 -0.192 0.000 0.804 356 E CB -0.730 29.127 29.700 0.261 0.000 0.741 356 E HN 0.461 nan 8.360 nan 0.000 0.458 357 I N 0.158 120.446 120.570 -0.471 0.000 2.361 357 I HA -0.152 4.021 4.170 0.005 0.000 0.251 357 I C 0.949 176.837 176.117 -0.382 0.000 1.133 357 I CA 0.931 61.854 61.300 -0.628 0.000 1.413 357 I CB -0.273 37.314 38.000 -0.690 0.000 1.073 357 I HN 0.125 nan 8.210 nan 0.000 0.424 358 G N 0.320 108.839 108.800 -0.469 0.000 3.081 358 G HA2 0.147 4.110 3.960 0.005 0.000 0.603 358 G HA3 0.147 4.110 3.960 0.005 0.000 0.603 358 G C 0.445 175.190 174.900 -0.259 0.000 1.106 358 G CA -0.245 44.518 45.100 -0.562 0.000 1.001 358 G HN 0.749 nan 8.290 nan 0.000 0.445 359 G N 2.249 110.928 108.800 -0.202 0.000 2.493 359 G HA2 -0.040 3.923 3.960 0.005 0.000 0.206 359 G HA3 -0.040 3.923 3.960 0.005 0.000 0.206 359 G C -0.599 174.268 174.900 -0.055 0.000 1.109 359 G CA 0.658 45.700 45.100 -0.096 0.000 0.689 359 G HN 1.652 nan 8.290 nan 0.000 0.516 360 P HA 0.399 nan 4.420 nan 0.000 0.272 360 P C -2.603 174.700 177.300 0.005 0.000 1.223 360 P CA -0.812 62.265 63.100 -0.038 0.000 0.784 360 P CB 0.815 32.479 31.700 -0.061 0.000 0.923 361 P HA 0.125 nan 4.420 nan 0.000 0.272 361 P C 0.159 177.503 177.300 0.072 0.000 1.230 361 P CA -0.310 62.853 63.100 0.106 0.000 0.788 361 P CB 0.602 32.312 31.700 0.016 0.000 0.949 362 M N 3.081 122.776 119.600 0.157 0.000 2.245 362 M HA 0.314 4.797 4.480 0.005 0.000 0.330 362 M C -0.294 176.019 176.300 0.023 0.000 1.098 362 M CA 0.173 55.532 55.300 0.097 0.000 1.172 362 M CB -0.060 32.608 32.600 0.113 0.000 1.467 362 M HN 0.345 nan 8.290 nan 0.000 0.454 363 I N 1.707 122.283 120.570 0.010 0.000 2.969 363 I HA 0.688 4.861 4.170 0.005 0.000 0.307 363 I C -1.705 174.423 176.117 0.019 0.000 1.149 363 I CA -0.973 60.316 61.300 -0.018 0.000 1.008 363 I CB 2.058 40.025 38.000 -0.056 0.000 1.232 363 I HN 0.820 nan 8.210 nan 0.000 0.435 364 C N 2.866 122.183 119.300 0.028 0.000 2.547 364 C HA 0.512 4.975 4.460 0.005 0.000 0.313 364 C C 1.460 176.477 174.990 0.046 0.000 1.191 364 C CA 0.074 59.111 59.018 0.033 0.000 1.474 364 C CB 1.541 29.304 27.740 0.039 0.000 2.081 364 C HN 1.003 nan 8.230 nan 0.000 0.476 365 T N 2.223 116.791 114.554 0.024 0.000 2.788 365 T HA -0.139 4.214 4.350 0.005 0.000 0.268 365 T C 1.700 176.488 174.700 0.146 0.000 1.044 365 T CA 1.565 63.696 62.100 0.050 0.000 1.139 365 T CB -0.047 68.776 68.868 -0.075 0.000 0.867 365 T HN 0.761 nan 8.240 nan 0.000 0.454 366 Q N 0.689 120.526 119.800 0.061 0.000 2.089 366 Q HA 0.121 4.464 4.340 0.005 0.000 0.195 366 Q C 1.013 176.982 176.000 -0.052 0.000 0.963 366 Q CA 0.657 56.441 55.803 -0.032 0.000 0.834 366 Q CB -0.245 28.434 28.738 -0.098 0.000 0.906 366 Q HN 0.329 nan 8.270 nan 0.000 0.452 367 N N 0.462 119.157 118.700 -0.008 0.000 2.527 367 N HA 0.231 4.974 4.740 0.005 0.000 0.236 367 N C -0.160 175.370 175.510 0.033 0.000 0.999 367 N CA 0.029 53.083 53.050 0.006 0.000 0.935 367 N CB 1.179 39.682 38.487 0.026 0.000 1.132 367 N HN 0.035 nan 8.380 nan 0.000 0.511 368 A N 2.210 125.030 122.820 -0.000 0.000 2.209 368 A HA -0.065 4.258 4.320 0.005 0.000 0.212 368 A C 1.696 179.320 177.584 0.066 0.000 1.158 368 A CA 1.485 53.547 52.037 0.041 0.000 0.742 368 A CB -0.555 18.435 19.000 -0.017 0.000 0.790 368 A HN 0.716 nan 8.150 nan 0.000 0.472 369 T N -3.095 111.461 114.554 0.003 0.000 3.065 369 T HA 0.464 4.817 4.350 0.005 0.000 0.252 369 T C 0.870 175.637 174.700 0.111 0.000 1.099 369 T CA 0.454 62.642 62.100 0.147 0.000 1.063 369 T CB -0.401 68.544 68.868 0.128 0.000 0.948 369 T HN 0.602 nan 8.240 nan 0.000 0.506 370 A N 0.825 123.705 122.820 0.101 0.000 2.537 370 A HA 0.521 4.844 4.320 0.005 0.000 0.260 370 A C 1.723 179.306 177.584 -0.001 0.000 1.082 370 A CA 0.282 52.400 52.037 0.136 0.000 0.765 370 A CB -1.257 17.826 19.000 0.138 0.000 1.019 370 A HN 1.468 nan 8.150 nan 0.000 0.507 371 G N 1.924 110.679 108.800 -0.075 0.000 2.217 371 G HA2 -0.209 3.754 3.960 0.005 0.000 0.246 371 G HA3 -0.209 3.754 3.960 0.005 0.000 0.246 371 G C 0.466 174.986 174.900 -0.633 0.000 0.990 371 G CA 0.516 45.241 45.100 -0.625 0.000 0.627 371 G HN 0.714 nan 8.290 nan 0.000 0.522 372 E N 0.322 120.341 120.200 -0.300 0.000 2.489 372 E HA 0.192 4.545 4.350 0.005 0.000 0.204 372 E C 1.846 178.324 176.600 -0.203 0.000 1.006 372 E CA 0.714 56.913 56.400 -0.335 0.000 0.936 372 E CB 0.080 29.599 29.700 -0.303 0.000 1.002 372 E HN 0.615 nan 8.360 nan 0.000 0.488 373 E N 0.760 120.936 120.200 -0.039 0.000 2.049 373 E HA -0.227 4.126 4.350 0.005 0.000 0.198 373 E C 1.791 178.426 176.600 0.058 0.000 1.007 373 E CA 1.584 58.020 56.400 0.059 0.000 0.809 373 E CB -0.412 29.353 29.700 0.109 0.000 0.749 373 E HN 0.342 nan 8.360 nan 0.000 0.450 374 Y N 1.454 121.723 120.300 -0.051 0.000 2.153 374 Y HA -0.103 4.450 4.550 0.005 0.000 0.289 374 Y C 2.397 178.255 175.900 -0.070 0.000 1.119 374 Y CA 1.914 59.999 58.100 -0.025 0.000 1.116 374 Y CB -0.026 38.449 38.460 0.025 0.000 1.004 374 Y HN -0.086 nan 8.280 nan 0.000 0.501 375 R N 0.144 120.581 120.500 -0.105 0.000 2.148 375 R HA -0.046 4.297 4.340 0.005 0.000 0.227 375 R C 1.600 177.757 176.300 -0.240 0.000 1.103 375 R CA 1.774 57.767 56.100 -0.179 0.000 0.983 375 R CB -0.370 29.861 30.300 -0.115 0.000 0.874 375 R HN 0.303 nan 8.270 nan 0.000 0.451 376 R N -0.438 119.841 120.500 -0.368 0.000 2.446 376 R HA 0.177 4.520 4.340 0.005 0.000 0.254 376 R C 0.424 176.557 176.300 -0.278 0.000 0.918 376 R CA 0.399 56.211 56.100 -0.480 0.000 1.069 376 R CB 1.270 30.849 30.300 -1.202 0.000 1.194 376 R HN 0.467 nan 8.270 nan 0.000 0.534 377 G N 1.396 110.105 108.800 -0.153 0.000 2.198 377 G HA2 -0.202 3.761 3.960 0.005 0.000 0.257 377 G HA3 -0.202 3.761 3.960 0.005 0.000 0.257 377 G C -0.725 174.342 174.900 0.279 0.000 1.042 377 G CA -0.125 45.002 45.100 0.045 0.000 0.791 377 G HN 0.182 nan 8.290 nan 0.000 0.502 378 W N 1.135 122.453 121.300 0.030 0.000 2.357 378 W HA 0.516 5.179 4.660 0.005 0.000 0.317 378 W C 0.591 177.119 176.519 0.015 0.000 1.101 378 W CA -1.693 55.678 57.345 0.044 0.000 1.380 378 W CB 0.088 29.590 29.460 0.070 0.000 1.266 378 W HN 0.237 nan 8.180 nan 0.000 0.419 379 H N 6.372 125.493 119.070 0.085 0.000 2.548 379 H HA 0.121 4.680 4.556 0.005 0.000 0.331 379 H C -1.275 173.941 175.328 -0.186 0.000 1.093 379 H CA -1.619 54.404 56.048 -0.042 0.000 1.367 379 H CB 1.844 31.544 29.762 -0.102 0.000 1.455 379 H HN 0.117 nan 8.280 nan 0.000 0.519 380 P HA -0.071 nan 4.420 nan 0.000 0.223 380 P C 0.302 177.495 177.300 -0.179 0.000 1.151 380 P CA 1.008 64.046 63.100 -0.104 0.000 0.787 380 P CB 0.694 32.351 31.700 -0.071 0.000 0.788 381 E N -0.544 119.571 120.200 -0.141 0.000 2.562 381 E HA 0.190 4.542 4.350 0.005 0.000 0.214 381 E C 0.184 176.538 176.600 -0.410 0.000 0.979 381 E CA 0.089 56.305 56.400 -0.306 0.000 1.002 381 E CB 0.894 30.234 29.700 -0.601 0.000 1.048 381 E HN 0.374 nan 8.360 nan 0.000 0.488 382 K N 0.652 120.690 120.400 -0.603 0.000 2.426 382 K HA 0.499 4.822 4.320 0.005 0.000 0.254 382 K C -0.981 175.242 176.600 -0.628 0.000 0.936 382 K CA -0.443 55.541 56.287 -0.505 0.000 0.801 382 K CB 1.550 33.736 32.500 -0.523 0.000 1.139 382 K HN -0.205 nan 8.250 nan 0.000 0.424 383 F N 0.899 120.817 119.950 -0.053 0.000 2.551 383 F HA 0.427 4.957 4.527 0.005 0.000 0.316 383 F C 0.400 176.180 175.800 -0.033 0.000 1.089 383 F CA -1.090 56.883 58.000 -0.044 0.000 0.915 383 F CB 1.628 40.590 39.000 -0.062 0.000 1.186 383 F HN 0.289 nan 8.300 nan 0.000 0.456 384 R N 2.481 123.073 120.500 0.153 0.000 2.401 384 R HA 0.141 4.484 4.340 0.005 0.000 0.299 384 R C -0.538 175.814 176.300 0.087 0.000 1.064 384 R CA -0.418 55.738 56.100 0.092 0.000 1.000 384 R CB 0.443 30.792 30.300 0.082 0.000 0.973 384 R HN 0.527 nan 8.270 nan 0.000 0.438 385 Q N 2.249 122.072 119.800 0.039 0.000 2.288 385 Q HA 0.062 4.405 4.340 0.005 0.000 0.254 385 Q C -0.051 175.911 176.000 -0.063 0.000 0.932 385 Q CA 0.085 55.880 55.803 -0.014 0.000 0.902 385 Q CB 1.694 30.416 28.738 -0.027 0.000 1.203 385 Q HN 0.624 nan 8.270 nan 0.000 0.415 386 T N 1.098 115.541 114.554 -0.186 0.000 2.918 386 T HA 0.092 4.445 4.350 0.005 0.000 0.302 386 T C 1.068 175.648 174.700 -0.201 0.000 1.045 386 T CA -0.174 61.754 62.100 -0.288 0.000 1.114 386 T CB 0.358 68.693 68.868 -0.889 0.000 0.965 386 T HN 0.625 nan 8.240 nan 0.000 0.540 387 K N 2.236 122.559 120.400 -0.128 0.000 2.367 387 K HA 0.150 4.473 4.320 0.005 0.000 0.194 387 K C 0.470 177.020 176.600 -0.084 0.000 1.027 387 K CA -0.317 55.921 56.287 -0.083 0.000 1.075 387 K CB 0.048 32.525 32.500 -0.038 0.000 0.845 387 K HN 0.603 nan 8.250 nan 0.000 0.529 388 N N 0.759 119.389 118.700 -0.117 0.000 2.813 388 N HA 0.175 4.917 4.740 0.005 0.000 0.320 388 N C -0.597 174.842 175.510 -0.118 0.000 1.315 388 N CA -1.034 51.968 53.050 -0.079 0.000 0.871 388 N CB 0.755 39.230 38.487 -0.019 0.000 1.241 388 N HN -0.100 nan 8.380 nan 0.000 0.602 389 K N -1.150 119.218 120.400 -0.053 0.000 2.934 389 K HA 0.262 4.585 4.320 0.005 0.000 0.210 389 K C -1.215 175.401 176.600 0.027 0.000 1.122 389 K CA -0.466 55.798 56.287 -0.038 0.000 1.033 389 K CB 0.133 32.622 32.500 -0.020 0.000 0.779 389 K HN 0.487 nan 8.250 nan 0.000 0.459 390 D N 1.805 122.252 120.400 0.079 0.000 2.414 390 D HA -0.003 4.640 4.640 0.005 0.000 0.242 390 D C 0.201 176.623 176.300 0.203 0.000 1.129 390 D CA 0.419 54.516 54.000 0.162 0.000 0.885 390 D CB 1.017 41.965 40.800 0.246 0.000 1.198 390 D HN 0.188 nan 8.370 nan 0.000 0.437 391 S N 0.175 115.958 115.700 0.139 0.000 2.509 391 S HA 0.717 5.190 4.470 0.005 0.000 0.297 391 S C -0.470 174.191 174.600 0.103 0.000 1.118 391 S CA -0.854 57.431 58.200 0.142 0.000 1.074 391 S CB 1.471 64.738 63.200 0.111 0.000 1.038 391 S HN 0.150 nan 8.310 nan 0.000 0.498 392 V N 2.940 122.912 119.914 0.096 0.000 2.588 392 V HA 0.522 4.645 4.120 0.005 0.000 0.304 392 V C -0.733 175.366 176.094 0.009 0.000 1.042 392 V CA -0.814 61.497 62.300 0.017 0.000 0.877 392 V CB 1.491 33.288 31.823 -0.044 0.000 0.996 392 V HN 0.918 nan 8.190 nan 0.000 0.425 393 L N 6.270 127.449 121.223 -0.073 0.000 2.282 393 L HA 0.669 5.011 4.340 0.005 0.000 0.288 393 L C -0.659 176.128 176.870 -0.138 0.000 1.033 393 L CA 0.257 55.001 54.840 -0.160 0.000 0.807 393 L CB 0.959 42.809 42.059 -0.347 0.000 1.209 393 L HN 0.567 nan 8.230 nan 0.000 0.423 394 I N 6.029 126.532 120.570 -0.112 0.000 2.382 394 I HA 0.309 4.481 4.170 0.005 0.000 0.286 394 I C -0.773 175.292 176.117 -0.086 0.000 1.002 394 I CA -0.828 60.422 61.300 -0.084 0.000 1.135 394 I CB 1.829 39.794 38.000 -0.058 0.000 1.288 394 I HN 0.251 nan 8.210 nan 0.000 0.448 395 V N 5.745 125.613 119.914 -0.077 0.000 2.320 395 V HA 0.753 4.876 4.120 0.005 0.000 0.265 395 V C 0.532 176.611 176.094 -0.025 0.000 1.048 395 V CA -0.361 61.903 62.300 -0.059 0.000 0.865 395 V CB 0.322 32.112 31.823 -0.055 0.000 1.043 395 V HN 1.048 nan 8.190 nan 0.000 0.474 396 G N 3.947 112.738 108.800 -0.014 0.000 3.239 396 G HA2 0.347 4.310 3.960 0.005 0.000 0.666 396 G HA3 0.347 4.310 3.960 0.005 0.000 0.666 396 G C -0.264 174.642 174.900 0.011 0.000 1.313 396 G CA -0.285 44.819 45.100 0.006 0.000 1.001 396 G HN 1.250 nan 8.290 nan 0.000 0.573 397 A N 1.443 124.277 122.820 0.023 0.000 2.713 397 A HA 0.780 5.103 4.320 0.005 0.000 0.296 397 A C 1.365 178.980 177.584 0.052 0.000 1.255 397 A CA 1.092 53.146 52.037 0.028 0.000 0.955 397 A CB -0.150 18.862 19.000 0.020 0.000 1.149 397 A HN 2.032 nan 8.150 nan 0.000 0.538 398 G N -0.027 108.813 108.800 0.066 0.000 2.508 398 G HA2 0.410 4.373 3.960 0.005 0.000 0.278 398 G HA3 0.410 4.373 3.960 0.005 0.000 0.278 398 G C -1.283 173.684 174.900 0.112 0.000 1.389 398 G CA -0.998 44.157 45.100 0.092 0.000 1.050 398 G HN 0.094 nan 8.290 nan 0.000 0.522 399 P HA -0.182 nan 4.420 nan 0.000 0.216 399 P C 2.350 179.762 177.300 0.187 0.000 1.154 399 P CA 2.603 65.818 63.100 0.193 0.000 0.865 399 P CB 0.040 31.771 31.700 0.052 0.000 0.789 400 S N -1.307 114.468 115.700 0.126 0.000 2.345 400 S HA -0.051 4.422 4.470 0.005 0.000 0.219 400 S C 2.360 176.990 174.600 0.051 0.000 1.031 400 S CA 1.277 59.530 58.200 0.088 0.000 0.984 400 S CB -1.988 61.247 63.200 0.058 0.000 0.874 400 S HN 0.192 nan 8.310 nan 0.000 0.451 401 G N 2.171 110.995 108.800 0.040 0.000 2.446 401 G HA2 -0.216 3.747 3.960 0.005 0.000 0.217 401 G HA3 -0.216 3.747 3.960 0.005 0.000 0.217 401 G C 1.816 176.721 174.900 0.008 0.000 1.168 401 G CA 1.586 46.694 45.100 0.012 0.000 0.771 401 G HN 0.789 nan 8.290 nan 0.000 0.551 402 S N 0.653 116.375 115.700 0.036 0.000 2.399 402 S HA -0.100 4.373 4.470 0.005 0.000 0.231 402 S C 2.044 176.652 174.600 0.014 0.000 1.022 402 S CA 1.809 60.024 58.200 0.026 0.000 0.983 402 S CB -0.147 63.089 63.200 0.059 0.000 0.803 402 S HN 0.430 nan 8.310 nan 0.000 0.480 403 E N 2.240 122.467 120.200 0.046 0.000 2.072 403 E HA 0.150 4.503 4.350 0.005 0.000 0.190 403 E C 2.070 178.637 176.600 -0.055 0.000 0.982 403 E CA 1.149 57.571 56.400 0.036 0.000 0.803 403 E CB -0.807 28.961 29.700 0.112 0.000 0.755 403 E HN 0.548 nan 8.360 nan 0.000 0.453 404 A N 1.082 123.861 122.820 -0.068 0.000 1.883 404 A HA -0.103 4.220 4.320 0.005 0.000 0.217 404 A C 2.469 179.963 177.584 -0.150 0.000 1.186 404 A CA 2.209 54.165 52.037 -0.134 0.000 0.624 404 A CB -1.187 17.751 19.000 -0.103 0.000 0.822 404 A HN 0.400 nan 8.150 nan 0.000 0.444 405 A N -0.349 122.409 122.820 -0.105 0.000 1.865 405 A HA -0.227 4.096 4.320 0.005 0.000 0.217 405 A C 2.283 179.783 177.584 -0.140 0.000 1.191 405 A CA 1.962 53.936 52.037 -0.105 0.000 0.623 405 A CB -0.612 18.344 19.000 -0.074 0.000 0.826 405 A HN 0.558 nan 8.150 nan 0.000 0.444 406 R N -0.488 119.928 120.500 -0.140 0.000 2.083 406 R HA -0.135 4.207 4.340 0.005 0.000 0.237 406 R C 2.011 178.133 176.300 -0.296 0.000 1.137 406 R CA 2.068 58.058 56.100 -0.183 0.000 0.951 406 R CB -0.480 29.742 30.300 -0.130 0.000 0.851 406 R HN 0.340 nan 8.270 nan 0.000 0.434 407 V N 1.330 121.044 119.914 -0.333 0.000 2.358 407 V HA -0.237 3.886 4.120 0.005 0.000 0.246 407 V C 2.411 178.247 176.094 -0.429 0.000 1.047 407 V CA 1.628 63.616 62.300 -0.520 0.000 1.035 407 V CB -0.416 31.069 31.823 -0.563 0.000 0.658 407 V HN 0.333 nan 8.190 nan 0.000 0.452 408 L N -1.082 119.970 121.223 -0.285 0.000 2.046 408 L HA -0.233 4.110 4.340 0.005 0.000 0.208 408 L C 2.562 179.402 176.870 -0.049 0.000 1.077 408 L CA 1.791 56.531 54.840 -0.166 0.000 0.747 408 L CB -0.457 41.478 42.059 -0.206 0.000 0.896 408 L HN 0.311 nan 8.230 nan 0.000 0.432 409 M N -1.066 118.455 119.600 -0.131 0.000 2.117 409 M HA -0.177 4.305 4.480 0.005 0.000 0.262 409 M C 2.174 178.374 176.300 -0.168 0.000 1.065 409 M CA 1.452 56.684 55.300 -0.113 0.000 1.114 409 M CB -0.350 32.173 32.600 -0.128 0.000 1.361 409 M HN 0.157 nan 8.290 nan 0.000 0.408 410 E N 0.002 120.006 120.200 -0.327 0.000 2.204 410 E HA -0.094 4.259 4.350 0.005 0.000 0.195 410 E C 1.824 178.261 176.600 -0.272 0.000 0.990 410 E CA 1.023 57.164 56.400 -0.432 0.000 0.821 410 E CB -0.156 28.903 29.700 -1.069 0.000 0.750 410 E HN 0.387 nan 8.360 nan 0.000 0.477 411 S N -0.923 114.664 115.700 -0.188 0.000 2.593 411 S HA 0.161 4.634 4.470 0.005 0.000 0.217 411 S C 1.334 175.910 174.600 -0.040 0.000 0.966 411 S CA 0.598 58.794 58.200 -0.007 0.000 0.914 411 S CB 0.609 63.897 63.200 0.146 0.000 0.776 411 S HN 0.472 nan 8.310 nan 0.000 0.523 412 G N 0.320 109.082 108.800 -0.062 0.000 2.175 412 G HA2 -0.262 3.701 3.960 0.005 0.000 0.244 412 G HA3 -0.262 3.701 3.960 0.005 0.000 0.244 412 G C -0.031 174.769 174.900 -0.167 0.000 0.982 412 G CA -0.279 44.745 45.100 -0.126 0.000 0.641 412 G HN 0.498 nan 8.290 nan 0.000 0.527 413 Y N 0.856 121.118 120.300 -0.063 0.000 2.299 413 Y HA 0.531 5.084 4.550 0.005 0.000 0.335 413 Y C 1.406 177.288 175.900 -0.029 0.000 1.287 413 Y CA 0.516 58.593 58.100 -0.039 0.000 1.424 413 Y CB 0.835 39.270 38.460 -0.042 0.000 1.326 413 Y HN 0.026 nan 8.280 nan 0.000 0.567 414 T N 2.348 117.007 114.554 0.174 0.000 2.767 414 T HA 0.496 4.849 4.350 0.005 0.000 0.288 414 T C -0.810 173.986 174.700 0.159 0.000 0.963 414 T CA -0.531 61.645 62.100 0.126 0.000 1.019 414 T CB 0.345 69.292 68.868 0.132 0.000 0.923 414 T HN 0.281 nan 8.240 nan 0.000 0.468 415 V N 4.369 124.340 119.914 0.095 0.000 2.604 415 V HA 0.396 4.518 4.120 0.005 0.000 0.305 415 V C -0.472 175.642 176.094 0.034 0.000 1.043 415 V CA -0.911 61.435 62.300 0.077 0.000 0.888 415 V CB 1.878 33.699 31.823 -0.003 0.000 0.995 415 V HN 0.855 nan 8.190 nan 0.000 0.429 416 H N 4.455 123.521 119.070 -0.007 0.000 2.762 416 H HA 0.405 4.964 4.556 0.005 0.000 0.310 416 H C -1.160 174.124 175.328 -0.074 0.000 1.004 416 H CA -0.581 55.464 56.048 -0.005 0.000 1.267 416 H CB 2.096 31.888 29.762 0.051 0.000 1.437 416 H HN 0.393 nan 8.280 nan 0.000 0.498 417 L N 3.458 124.674 121.223 -0.012 0.000 2.282 417 L HA 0.375 4.717 4.340 0.005 0.000 0.288 417 L C -0.098 176.758 176.870 -0.023 0.000 1.033 417 L CA 0.011 54.832 54.840 -0.030 0.000 0.807 417 L CB 1.755 43.791 42.059 -0.038 0.000 1.209 417 L HN 0.477 nan 8.230 nan 0.000 0.423 418 T N 3.698 118.231 114.554 -0.035 0.000 2.906 418 T HA 0.625 4.978 4.350 0.005 0.000 0.295 418 T C -1.747 172.945 174.700 -0.013 0.000 1.061 418 T CA -0.436 61.653 62.100 -0.019 0.000 1.000 418 T CB 1.074 69.924 68.868 -0.031 0.000 1.103 418 T HN 0.782 nan 8.240 nan 0.000 0.486 419 D N 0.102 120.504 120.400 0.003 0.000 2.663 419 D HA 0.234 4.877 4.640 0.005 0.000 0.233 419 D C 1.077 177.388 176.300 0.018 0.000 1.240 419 D CA -0.152 53.854 54.000 0.011 0.000 0.774 419 D CB 2.165 42.975 40.800 0.016 0.000 1.443 419 D HN 0.613 nan 8.370 nan 0.000 0.441 420 T N -0.729 113.838 114.554 0.022 0.000 2.985 420 T HA 0.279 4.632 4.350 0.005 0.000 0.266 420 T C 1.139 175.854 174.700 0.026 0.000 1.076 420 T CA 0.682 62.797 62.100 0.025 0.000 1.135 420 T CB -0.001 68.884 68.868 0.027 0.000 0.890 420 T HN 0.456 nan 8.240 nan 0.000 0.480 421 A N 1.481 124.318 122.820 0.028 0.000 2.406 421 A HA 0.291 4.614 4.320 0.005 0.000 0.243 421 A C 1.167 178.766 177.584 0.025 0.000 1.082 421 A CA -0.328 51.726 52.037 0.029 0.000 0.786 421 A CB 0.239 19.260 19.000 0.034 0.000 1.029 421 A HN 0.505 nan 8.150 nan 0.000 0.495 422 E N 0.097 120.312 120.200 0.025 0.000 2.299 422 E HA -0.015 4.337 4.350 0.005 0.000 0.193 422 E C -0.058 176.555 176.600 0.021 0.000 0.998 422 E CA 0.792 57.205 56.400 0.022 0.000 0.851 422 E CB 0.116 29.829 29.700 0.020 0.000 0.795 422 E HN 0.554 nan 8.360 nan 0.000 0.492 423 K N 0.400 120.815 120.400 0.025 0.000 2.443 423 K HA 0.423 4.746 4.320 0.005 0.000 0.251 423 K C -0.557 176.061 176.600 0.030 0.000 0.972 423 K CA -0.769 55.534 56.287 0.026 0.000 0.833 423 K CB 2.384 34.901 32.500 0.029 0.000 1.317 423 K HN -0.138 nan 8.250 nan 0.000 0.441 424 I N 0.791 121.379 120.570 0.031 0.000 2.754 424 I HA 0.061 4.234 4.170 0.005 0.000 0.285 424 I C 1.195 177.343 176.117 0.051 0.000 1.166 424 I CA 1.260 62.582 61.300 0.037 0.000 1.417 424 I CB 0.737 38.757 38.000 0.033 0.000 1.382 424 I HN 1.063 nan 8.210 nan 0.000 0.588 425 G N 2.740 111.575 108.800 0.058 0.000 3.006 425 G HA2 0.053 4.016 3.960 0.005 0.000 0.195 425 G HA3 0.053 4.016 3.960 0.005 0.000 0.195 425 G C 0.650 175.565 174.900 0.025 0.000 1.034 425 G CA 0.033 45.165 45.100 0.053 0.000 0.807 425 G HN 1.321 nan 8.290 nan 0.000 0.469 426 G N 1.198 110.026 108.800 0.048 0.000 2.596 426 G HA2 -0.264 3.699 3.960 0.005 0.000 0.295 426 G HA3 -0.264 3.699 3.960 0.005 0.000 0.295 426 G C 1.031 175.979 174.900 0.081 0.000 1.240 426 G CA 1.780 46.927 45.100 0.079 0.000 0.985 426 G HN 1.945 nan 8.290 nan 0.000 0.555 427 H N 0.554 119.654 119.070 0.051 0.000 2.491 427 H HA 0.071 4.630 4.556 0.005 0.000 0.290 427 H C 2.608 177.985 175.328 0.081 0.000 1.050 427 H CA 1.716 57.806 56.048 0.070 0.000 1.309 427 H CB -0.220 29.591 29.762 0.082 0.000 1.392 427 H HN 0.527 nan 8.280 nan 0.000 0.554 428 L N 1.850 122.785 121.223 -0.480 0.000 2.265 428 L HA -0.111 4.231 4.340 0.005 0.000 0.215 428 L C 1.649 178.459 176.870 -0.100 0.000 1.117 428 L CA 1.077 55.715 54.840 -0.336 0.000 0.782 428 L CB -0.741 41.139 42.059 -0.298 0.000 0.914 428 L HN 0.161 nan 8.230 nan 0.000 0.441 429 N N -0.723 117.950 118.700 -0.044 0.000 2.309 429 N HA -0.153 4.590 4.740 0.005 0.000 0.182 429 N C 1.686 177.191 175.510 -0.007 0.000 1.018 429 N CA 1.067 54.112 53.050 -0.007 0.000 0.876 429 N CB -0.003 38.493 38.487 0.014 0.000 0.972 429 N HN 0.599 nan 8.380 nan 0.000 0.434 430 Q N 0.111 119.917 119.800 0.011 0.000 2.089 430 Q HA 0.053 4.396 4.340 0.005 0.000 0.195 430 Q C 2.144 178.137 176.000 -0.011 0.000 0.963 430 Q CA 0.633 56.446 55.803 0.017 0.000 0.834 430 Q CB 0.038 28.815 28.738 0.065 0.000 0.906 430 Q HN 0.054 nan 8.270 nan 0.000 0.452 431 V N 1.461 121.381 119.914 0.010 0.000 2.324 431 V HA -0.311 3.812 4.120 0.005 0.000 0.250 431 V C 2.191 178.165 176.094 -0.200 0.000 1.060 431 V CA 1.982 64.258 62.300 -0.040 0.000 1.042 431 V CB -0.877 30.969 31.823 0.039 0.000 0.650 431 V HN 0.411 nan 8.190 nan 0.000 0.450 432 A N -0.644 122.087 122.820 -0.149 0.000 2.216 432 A HA 0.138 4.461 4.320 0.005 0.000 0.214 432 A C 2.142 179.614 177.584 -0.187 0.000 1.160 432 A CA 1.422 53.346 52.037 -0.188 0.000 0.725 432 A CB -0.422 18.528 19.000 -0.083 0.000 0.784 432 A HN 0.592 nan 8.150 nan 0.000 0.472 433 A N -0.789 121.945 122.820 -0.143 0.000 2.238 433 A HA 0.461 4.784 4.320 0.005 0.000 0.210 433 A C 0.831 178.325 177.584 -0.150 0.000 1.179 433 A CA -0.263 51.701 52.037 -0.121 0.000 0.827 433 A CB -0.231 18.724 19.000 -0.074 0.000 0.856 433 A HN 0.422 nan 8.150 nan 0.000 0.488 434 L N 0.674 121.777 121.223 -0.200 0.000 2.467 434 L HA 0.191 4.534 4.340 0.005 0.000 0.270 434 L C -2.208 174.513 176.870 -0.248 0.000 1.205 434 L CA -1.849 52.864 54.840 -0.212 0.000 0.828 434 L CB 0.191 42.104 42.059 -0.243 0.000 1.101 434 L HN 0.030 nan 8.230 nan 0.000 0.479 435 P HA 0.004 nan 4.420 nan 0.000 0.261 435 P C 0.672 177.792 177.300 -0.300 0.000 1.183 435 P CA 0.925 63.898 63.100 -0.212 0.000 0.761 435 P CB 0.592 32.193 31.700 -0.164 0.000 0.785 436 G N 2.812 111.436 108.800 -0.294 0.000 2.212 436 G HA2 -0.284 3.679 3.960 0.005 0.000 0.266 436 G HA3 -0.284 3.679 3.960 0.005 0.000 0.266 436 G C 0.550 175.180 174.900 -0.450 0.000 0.978 436 G CA 0.051 44.931 45.100 -0.366 0.000 0.632 436 G HN 0.518 nan 8.290 nan 0.000 0.537 437 L N 1.395 122.301 121.223 -0.527 0.000 2.685 437 L HA 0.315 4.658 4.340 0.005 0.000 0.233 437 L C 2.556 179.134 176.870 -0.487 0.000 1.173 437 L CA 0.449 54.828 54.840 -0.769 0.000 0.961 437 L CB -0.275 41.098 42.059 -1.144 0.000 1.217 437 L HN 0.264 nan 8.230 nan 0.000 0.478 438 G N 0.449 109.063 108.800 -0.309 0.000 2.469 438 G HA2 -0.244 3.719 3.960 0.005 0.000 0.219 438 G HA3 -0.244 3.719 3.960 0.005 0.000 0.219 438 G C 1.296 176.043 174.900 -0.255 0.000 1.150 438 G CA 0.450 45.419 45.100 -0.218 0.000 0.763 438 G HN 0.462 nan 8.290 nan 0.000 0.561 439 E N -0.516 119.513 120.200 -0.285 0.000 2.409 439 E HA -0.085 4.268 4.350 0.005 0.000 0.198 439 E C 1.859 178.212 176.600 -0.413 0.000 1.024 439 E CA 0.180 56.219 56.400 -0.602 0.000 0.861 439 E CB -0.091 29.399 29.700 -0.349 0.000 0.788 439 E HN 0.636 nan 8.360 nan 0.000 0.521 440 W N 0.961 122.030 121.300 -0.386 0.000 2.699 440 W HA -0.074 4.589 4.660 0.004 0.000 0.249 440 W C 2.500 178.922 176.519 -0.162 0.000 1.280 440 W CA 1.004 58.204 57.345 -0.242 0.000 1.345 440 W CB -0.581 28.732 29.460 -0.245 0.000 1.128 440 W HN 0.068 nan 8.180 nan 0.000 0.642 441 S N -1.207 114.492 115.700 -0.002 0.000 2.447 441 S HA -0.236 4.237 4.470 0.005 0.000 0.233 441 S C 1.626 176.344 174.600 0.198 0.000 1.006 441 S CA 0.885 59.122 58.200 0.063 0.000 0.957 441 S CB -1.012 62.204 63.200 0.027 0.000 0.773 441 S HN 0.219 nan 8.310 nan 0.000 0.507 442 Y N 1.946 122.335 120.300 0.149 0.000 2.298 442 Y HA -0.121 4.432 4.550 0.005 0.000 0.287 442 Y C 2.702 178.700 175.900 0.164 0.000 1.164 442 Y CA 0.632 58.815 58.100 0.138 0.000 1.229 442 Y CB -1.437 37.088 38.460 0.108 0.000 0.977 442 Y HN 0.521 nan 8.280 nan 0.000 0.538 443 H N 1.552 120.743 119.070 0.202 0.000 2.321 443 H HA -0.155 4.403 4.556 0.005 0.000 0.300 443 H C 2.048 177.483 175.328 0.178 0.000 1.087 443 H CA 2.196 58.330 56.048 0.143 0.000 1.319 443 H CB 0.349 30.141 29.762 0.049 0.000 1.379 443 H HN 0.375 nan 8.280 nan 0.000 0.501 444 R N 0.426 121.124 120.500 0.331 0.000 2.161 444 R HA 0.001 4.344 4.340 0.005 0.000 0.213 444 R C 1.658 178.061 176.300 0.172 0.000 1.055 444 R CA 1.304 57.543 56.100 0.231 0.000 0.996 444 R CB -0.365 30.035 30.300 0.167 0.000 0.901 444 R HN 0.168 nan 8.270 nan 0.000 0.456 445 D N 0.389 120.913 120.400 0.207 0.000 2.117 445 D HA -0.194 4.449 4.640 0.005 0.000 0.197 445 D C 1.614 178.004 176.300 0.151 0.000 0.987 445 D CA 1.363 55.468 54.000 0.176 0.000 0.829 445 D CB -0.456 40.484 40.800 0.232 0.000 0.961 445 D HN 0.320 nan 8.370 nan 0.000 0.460 446 Y N 1.476 121.813 120.300 0.061 0.000 2.145 446 Y HA -0.199 4.354 4.550 0.005 0.000 0.286 446 Y C 2.346 178.244 175.900 -0.004 0.000 1.145 446 Y CA 1.692 59.802 58.100 0.016 0.000 1.148 446 Y CB 0.020 38.474 38.460 -0.009 0.000 0.981 446 Y HN -0.192 nan 8.280 nan 0.000 0.507 447 R N 0.203 120.696 120.500 -0.011 0.000 2.115 447 R HA -0.153 4.190 4.340 0.005 0.000 0.230 447 R C 2.352 178.583 176.300 -0.115 0.000 1.111 447 R CA 1.518 57.548 56.100 -0.116 0.000 0.976 447 R CB -0.272 30.040 30.300 0.020 0.000 0.870 447 R HN 0.550 nan 8.270 nan 0.000 0.445 448 E N -0.124 120.050 120.200 -0.044 0.000 2.031 448 E HA -0.166 4.187 4.350 0.005 0.000 0.193 448 E C 1.379 177.936 176.600 -0.072 0.000 0.994 448 E CA 1.791 58.171 56.400 -0.033 0.000 0.800 448 E CB 0.056 29.763 29.700 0.012 0.000 0.752 448 E HN 0.155 nan 8.360 nan 0.000 0.447 449 T N 1.223 115.727 114.554 -0.082 0.000 2.720 449 T HA -0.176 4.177 4.350 0.005 0.000 0.268 449 T C 1.833 176.440 174.700 -0.155 0.000 1.037 449 T CA 1.426 63.469 62.100 -0.095 0.000 1.144 449 T CB -0.155 68.670 68.868 -0.072 0.000 0.864 449 T HN 0.195 nan 8.240 nan 0.000 0.444 450 Q N 0.304 119.937 119.800 -0.279 0.000 2.049 450 Q HA 0.104 4.447 4.340 0.005 0.000 0.198 450 Q C 2.507 178.392 176.000 -0.192 0.000 0.971 450 Q CA 1.018 56.644 55.803 -0.295 0.000 0.833 450 Q CB -0.505 27.928 28.738 -0.508 0.000 0.896 450 Q HN 0.535 nan 8.270 nan 0.000 0.434 451 I N 0.612 121.082 120.570 -0.166 0.000 2.226 451 I HA -0.272 3.901 4.170 0.005 0.000 0.245 451 I C 2.200 178.260 176.117 -0.095 0.000 1.100 451 I CA 1.270 62.498 61.300 -0.120 0.000 1.374 451 I CB -0.398 37.545 38.000 -0.094 0.000 1.057 451 I HN 0.175 nan 8.210 nan 0.000 0.413 452 T N 0.520 115.025 114.554 -0.082 0.000 2.684 452 T HA -0.275 4.078 4.350 0.005 0.000 0.267 452 T C 1.945 176.608 174.700 -0.062 0.000 1.036 452 T CA 1.755 63.818 62.100 -0.061 0.000 1.148 452 T CB -0.223 68.616 68.868 -0.047 0.000 0.863 452 T HN 0.325 nan 8.240 nan 0.000 0.436 453 K N 0.677 121.035 120.400 -0.071 0.000 2.057 453 K HA -0.017 4.305 4.320 0.005 0.000 0.207 453 K C 2.207 178.767 176.600 -0.067 0.000 1.049 453 K CA 1.142 57.390 56.287 -0.064 0.000 0.931 453 K CB -0.293 32.165 32.500 -0.069 0.000 0.714 453 K HN 0.298 nan 8.250 nan 0.000 0.440 454 L N 1.086 122.257 121.223 -0.086 0.000 2.275 454 L HA -0.123 4.220 4.340 0.005 0.000 0.215 454 L C 2.258 179.083 176.870 -0.074 0.000 1.119 454 L CA 0.504 55.291 54.840 -0.087 0.000 0.790 454 L CB -0.233 41.759 42.059 -0.113 0.000 0.919 454 L HN 0.217 nan 8.230 nan 0.000 0.443 455 L N -0.302 120.878 121.223 -0.071 0.000 2.083 455 L HA -0.222 4.121 4.340 0.005 0.000 0.209 455 L C 2.487 179.325 176.870 -0.054 0.000 1.083 455 L CA 1.342 56.143 54.840 -0.066 0.000 0.752 455 L CB -0.397 41.624 42.059 -0.064 0.000 0.899 455 L HN 0.221 nan 8.230 nan 0.000 0.433 456 K N 0.071 120.442 120.400 -0.047 0.000 2.280 456 K HA -0.151 4.172 4.320 0.005 0.000 0.202 456 K C 1.701 178.279 176.600 -0.037 0.000 1.047 456 K CA 0.979 57.244 56.287 -0.038 0.000 0.942 456 K CB 0.012 32.492 32.500 -0.033 0.000 0.739 456 K HN 0.286 nan 8.250 nan 0.000 0.457 457 K N 0.317 120.691 120.400 -0.043 0.000 2.444 457 K HA 0.022 4.345 4.320 0.005 0.000 0.193 457 K C 0.137 176.713 176.600 -0.039 0.000 1.024 457 K CA 0.120 56.383 56.287 -0.040 0.000 1.077 457 K CB 0.161 32.634 32.500 -0.045 0.000 0.833 457 K HN -0.011 nan 8.250 nan 0.000 0.517 458 N N 0.844 119.520 118.700 -0.040 0.000 2.699 458 N HA 0.056 4.799 4.740 0.005 0.000 0.271 458 N C -0.053 175.437 175.510 -0.035 0.000 1.216 458 N CA -0.139 52.891 53.050 -0.034 0.000 0.844 458 N CB 0.933 39.399 38.487 -0.034 0.000 1.462 458 N HN -0.300 nan 8.380 nan 0.000 0.555 459 K N 1.011 121.395 120.400 -0.027 0.000 2.442 459 K HA 0.011 4.334 4.320 0.005 0.000 0.198 459 K C 0.646 177.233 176.600 -0.021 0.000 1.044 459 K CA 0.755 57.027 56.287 -0.026 0.000 0.948 459 K CB 0.368 32.857 32.500 -0.017 0.000 0.762 459 K HN 0.574 nan 8.250 nan 0.000 0.472 460 E N 0.398 120.593 120.200 -0.008 0.000 2.299 460 E HA 0.027 4.380 4.350 0.005 0.000 0.193 460 E C 0.272 176.862 176.600 -0.017 0.000 0.998 460 E CA 0.171 56.586 56.400 0.024 0.000 0.851 460 E CB 0.070 29.803 29.700 0.055 0.000 0.795 460 E HN -0.009 nan 8.360 nan 0.000 0.492 461 S N 1.127 116.784 115.700 -0.073 0.000 2.580 461 S HA 0.228 4.701 4.470 0.005 0.000 0.274 461 S C 0.103 174.539 174.600 -0.273 0.000 1.329 461 S CA -0.174 57.925 58.200 -0.168 0.000 1.036 461 S CB 1.321 64.464 63.200 -0.094 0.000 0.919 461 S HN 0.108 nan 8.310 nan 0.000 0.515 462 Q N 1.143 120.677 119.800 -0.444 0.000 2.379 462 Q HA 0.599 4.942 4.340 0.005 0.000 0.278 462 Q C -2.080 173.803 176.000 -0.195 0.000 1.068 462 Q CA -0.811 54.790 55.803 -0.336 0.000 0.816 462 Q CB 1.505 29.957 28.738 -0.477 0.000 1.387 462 Q HN 0.505 nan 8.270 nan 0.000 0.413 463 L N 2.572 123.735 121.223 -0.100 0.000 2.342 463 L HA 0.770 5.113 4.340 0.005 0.000 0.276 463 L C -1.611 175.249 176.870 -0.017 0.000 0.997 463 L CA -0.067 54.742 54.840 -0.052 0.000 0.838 463 L CB 1.407 43.438 42.059 -0.046 0.000 1.224 463 L HN 0.634 nan 8.230 nan 0.000 0.416 464 A N 6.882 129.706 122.820 0.006 0.000 2.399 464 A HA 0.690 5.013 4.320 0.005 0.000 0.327 464 A C -0.842 176.756 177.584 0.023 0.000 1.367 464 A CA -0.443 51.611 52.037 0.029 0.000 0.842 464 A CB -0.006 19.037 19.000 0.072 0.000 1.142 464 A HN 0.698 nan 8.150 nan 0.000 0.495 465 L N 0.875 122.109 121.223 0.017 0.000 2.365 465 L HA 0.716 5.059 4.340 0.005 0.000 0.267 465 L C 1.473 178.356 176.870 0.021 0.000 1.033 465 L CA -0.192 54.658 54.840 0.017 0.000 0.802 465 L CB 1.148 43.216 42.059 0.014 0.000 1.267 465 L HN 0.976 nan 8.230 nan 0.000 0.457 466 G N 0.205 109.018 108.800 0.022 0.000 2.203 466 G HA2 -0.204 3.759 3.960 0.005 0.000 0.263 466 G HA3 -0.204 3.759 3.960 0.005 0.000 0.263 466 G C 0.253 175.168 174.900 0.025 0.000 1.012 466 G CA -0.064 45.049 45.100 0.023 0.000 0.749 466 G HN 0.483 nan 8.290 nan 0.000 0.512 467 Q N -0.091 119.725 119.800 0.028 0.000 2.237 467 Q HA 0.445 4.788 4.340 0.005 0.000 0.219 467 Q C 0.949 176.967 176.000 0.030 0.000 0.999 467 Q CA -0.099 55.723 55.803 0.032 0.000 0.959 467 Q CB 0.632 29.393 28.738 0.039 0.000 1.173 467 Q HN 0.762 nan 8.270 nan 0.000 0.527 468 K N 0.002 120.422 120.400 0.033 0.000 2.154 468 K HA 0.460 4.783 4.320 0.005 0.000 0.264 468 K C -2.364 174.254 176.600 0.030 0.000 1.008 468 K CA -1.631 54.674 56.287 0.030 0.000 0.937 468 K CB -0.222 32.296 32.500 0.030 0.000 1.002 468 K HN 0.103 nan 8.250 nan 0.000 0.469 469 P HA -0.060 nan 4.420 nan 0.000 0.261 469 P C -0.519 176.795 177.300 0.024 0.000 1.183 469 P CA 0.241 63.357 63.100 0.026 0.000 0.761 469 P CB 0.306 32.023 31.700 0.028 0.000 0.785 470 M N 2.644 122.254 119.600 0.017 0.000 2.248 470 M HA 0.101 4.584 4.480 0.005 0.000 0.345 470 M C 0.952 177.262 176.300 0.016 0.000 1.243 470 M CA 0.764 56.071 55.300 0.012 0.000 1.090 470 M CB -0.025 32.565 32.600 -0.016 0.000 1.683 470 M HN 0.410 nan 8.290 nan 0.000 0.450 471 T N -0.765 113.800 114.554 0.019 0.000 2.940 471 T HA 0.709 5.062 4.350 0.005 0.000 0.288 471 T C 1.065 175.772 174.700 0.012 0.000 1.045 471 T CA -0.392 61.720 62.100 0.019 0.000 1.018 471 T CB 1.471 70.352 68.868 0.022 0.000 1.151 471 T HN 0.594 nan 8.240 nan 0.000 0.529 472 A N 0.788 123.616 122.820 0.013 0.000 1.908 472 A HA -0.110 4.213 4.320 0.005 0.000 0.218 472 A C 1.983 179.571 177.584 0.007 0.000 1.181 472 A CA 1.968 54.008 52.037 0.006 0.000 0.627 472 A CB -1.159 17.850 19.000 0.015 0.000 0.818 472 A HN 0.920 nan 8.150 nan 0.000 0.445 473 D N 0.077 120.486 120.400 0.016 0.000 2.097 473 D HA -0.125 4.518 4.640 0.005 0.000 0.195 473 D C 1.379 177.694 176.300 0.025 0.000 0.989 473 D CA 1.456 55.468 54.000 0.019 0.000 0.827 473 D CB -0.453 40.359 40.800 0.019 0.000 0.966 473 D HN 0.388 nan 8.370 nan 0.000 0.456 474 D N 0.411 120.830 120.400 0.033 0.000 2.104 474 D HA -0.119 4.524 4.640 0.005 0.000 0.194 474 D C 2.326 178.674 176.300 0.079 0.000 0.994 474 D CA 0.504 54.542 54.000 0.062 0.000 0.830 474 D CB -0.389 40.449 40.800 0.064 0.000 0.959 474 D HN 0.088 nan 8.370 nan 0.000 0.452 475 V N 0.946 120.872 119.914 0.019 0.000 2.295 475 V HA -0.204 3.919 4.120 0.005 0.000 0.246 475 V C 2.685 178.765 176.094 -0.023 0.000 1.049 475 V CA 1.115 63.398 62.300 -0.028 0.000 1.024 475 V CB -0.534 31.233 31.823 -0.093 0.000 0.648 475 V HN 0.185 nan 8.190 nan 0.000 0.447 476 L N -0.410 120.796 121.223 -0.028 0.000 2.079 476 L HA -0.254 4.089 4.340 0.005 0.000 0.210 476 L C 2.358 179.230 176.870 0.004 0.000 1.081 476 L CA 1.700 56.526 54.840 -0.024 0.000 0.752 476 L CB -0.432 41.633 42.059 0.010 0.000 0.896 476 L HN 0.417 nan 8.230 nan 0.000 0.433 477 Q N -2.189 117.625 119.800 0.024 0.000 2.280 477 Q HA -0.054 4.289 4.340 0.005 0.000 0.201 477 Q C 1.408 177.415 176.000 0.011 0.000 0.890 477 Q CA -0.024 55.786 55.803 0.012 0.000 0.947 477 Q CB 0.198 28.938 28.738 0.003 0.000 1.081 477 Q HN 0.409 nan 8.270 nan 0.000 0.502 478 Y N 0.598 120.853 120.300 -0.076 0.000 2.293 478 Y HA -0.107 4.446 4.550 0.005 0.000 0.291 478 Y C 1.613 177.443 175.900 -0.116 0.000 1.137 478 Y CA 1.867 59.910 58.100 -0.096 0.000 1.202 478 Y CB 0.178 38.571 38.460 -0.111 0.000 0.990 478 Y HN 0.253 nan 8.280 nan 0.000 0.537 479 G N -0.694 108.114 108.800 0.014 0.000 2.141 479 G HA2 -0.184 3.779 3.960 0.005 0.000 0.231 479 G HA3 -0.184 3.779 3.960 0.005 0.000 0.231 479 G C 0.145 175.043 174.900 -0.002 0.000 0.984 479 G CA 0.007 45.083 45.100 -0.041 0.000 0.660 479 G HN 0.747 nan 8.290 nan 0.000 0.525 480 A N -0.095 122.763 122.820 0.064 0.000 2.302 480 A HA 0.648 4.971 4.320 0.005 0.000 0.285 480 A C 1.145 178.723 177.584 -0.009 0.000 1.105 480 A CA 0.488 52.543 52.037 0.030 0.000 0.816 480 A CB 0.507 19.518 19.000 0.019 0.000 1.067 480 A HN 0.143 nan 8.150 nan 0.000 0.489 481 D N 0.452 120.854 120.400 0.004 0.000 2.123 481 D HA -0.010 4.633 4.640 0.005 0.000 0.200 481 D C 0.163 176.444 176.300 -0.032 0.000 0.976 481 D CA 1.427 55.429 54.000 0.005 0.000 0.831 481 D CB 0.238 41.065 40.800 0.044 0.000 0.974 481 D HN 0.510 nan 8.370 nan 0.000 0.469 482 K N 0.050 120.422 120.400 -0.046 0.000 2.426 482 K HA 0.534 4.857 4.320 0.005 0.000 0.251 482 K C -1.152 175.354 176.600 -0.157 0.000 0.941 482 K CA -0.622 55.599 56.287 -0.110 0.000 0.808 482 K CB 3.562 36.063 32.500 0.002 0.000 1.265 482 K HN -0.270 nan 8.250 nan 0.000 0.432 483 V N 3.137 122.886 119.914 -0.275 0.000 2.656 483 V HA 0.504 4.627 4.120 0.005 0.000 0.307 483 V C -0.646 175.335 176.094 -0.189 0.000 1.051 483 V CA -0.825 61.331 62.300 -0.239 0.000 0.893 483 V CB 1.787 33.428 31.823 -0.302 0.000 0.999 483 V HN 0.633 nan 8.190 nan 0.000 0.426 484 I N 5.090 125.606 120.570 -0.089 0.000 2.382 484 I HA 0.408 4.581 4.170 0.005 0.000 0.286 484 I C -0.850 175.254 176.117 -0.022 0.000 1.002 484 I CA -0.505 60.788 61.300 -0.012 0.000 1.135 484 I CB 1.642 39.646 38.000 0.007 0.000 1.288 484 I HN 0.347 nan 8.210 nan 0.000 0.448 485 I N 5.960 126.537 120.570 0.012 0.000 2.312 485 I HA 0.314 4.487 4.170 0.005 0.000 0.291 485 I C 0.713 176.819 176.117 -0.018 0.000 1.031 485 I CA -0.100 61.214 61.300 0.023 0.000 1.293 485 I CB 1.121 39.203 38.000 0.136 0.000 1.403 485 I HN 0.616 nan 8.210 nan 0.000 0.484 486 A N 4.204 127.016 122.820 -0.014 0.000 3.253 486 A HA 0.322 4.645 4.320 0.005 0.000 0.290 486 A C 1.027 178.609 177.584 -0.003 0.000 0.950 486 A CA -0.343 51.684 52.037 -0.016 0.000 0.986 486 A CB -0.372 18.623 19.000 -0.008 0.000 1.104 486 A HN 0.716 nan 8.150 nan 0.000 0.481 487 T N -2.561 111.992 114.554 -0.002 0.000 3.160 487 T HA 0.421 4.774 4.350 0.005 0.000 0.257 487 T C 1.291 175.989 174.700 -0.004 0.000 1.147 487 T CA 0.873 62.978 62.100 0.009 0.000 1.064 487 T CB -0.355 68.529 68.868 0.028 0.000 0.949 487 T HN 2.041 nan 8.240 nan 0.000 0.526 488 G N 1.088 109.873 108.800 -0.024 0.000 2.642 488 G HA2 0.293 4.256 3.960 0.005 0.000 0.231 488 G HA3 0.293 4.256 3.960 0.005 0.000 0.231 488 G C -0.257 174.573 174.900 -0.117 0.000 1.338 488 G CA -0.397 44.668 45.100 -0.058 0.000 0.883 488 G HN 1.389 nan 8.290 nan 0.000 0.570 489 A N -0.773 121.930 122.820 -0.195 0.000 2.569 489 A HA 0.974 5.297 4.320 0.005 0.000 0.290 489 A C -0.258 177.110 177.584 -0.361 0.000 1.136 489 A CA -0.347 51.506 52.037 -0.306 0.000 0.710 489 A CB 1.780 20.556 19.000 -0.373 0.000 1.303 489 A HN 1.100 nan 8.150 nan 0.000 0.413 490 R N -0.817 119.347 120.500 -0.560 0.000 2.837 490 R HA 0.367 4.710 4.340 0.005 0.000 0.271 490 R C -1.738 174.245 176.300 -0.529 0.000 0.993 490 R CA -0.388 55.462 56.100 -0.418 0.000 0.931 490 R CB 1.005 31.150 30.300 -0.259 0.000 1.206 490 R HN 0.762 nan 8.270 nan 0.000 0.474 491 W N 1.448 122.646 121.300 -0.171 0.000 2.218 491 W HA 0.183 4.846 4.660 0.005 0.000 0.326 491 W C 0.664 177.212 176.519 0.048 0.000 1.276 491 W CA 0.091 57.390 57.345 -0.077 0.000 1.210 491 W CB 0.327 29.755 29.460 -0.054 0.000 1.143 491 W HN 0.269 nan 8.180 nan 0.000 0.563 492 N N 1.087 119.979 118.700 0.319 0.000 2.407 492 N HA -0.039 4.704 4.740 0.005 0.000 0.250 492 N C 1.059 176.710 175.510 0.235 0.000 1.236 492 N CA 0.738 53.980 53.050 0.320 0.000 0.879 492 N CB 0.713 39.342 38.487 0.237 0.000 1.088 492 N HN 0.506 nan 8.380 nan 0.000 0.450 493 T N -3.437 111.220 114.554 0.172 0.000 3.023 493 T HA 0.038 4.391 4.350 0.005 0.000 0.253 493 T C 0.401 175.143 174.700 0.070 0.000 1.038 493 T CA -0.140 62.027 62.100 0.112 0.000 0.962 493 T CB 0.091 69.019 68.868 0.100 0.000 1.018 493 T HN 0.482 nan 8.240 nan 0.000 0.521 494 D N 0.481 120.920 120.400 0.064 0.000 2.440 494 D HA 0.322 4.965 4.640 0.005 0.000 0.216 494 D C 1.557 177.890 176.300 0.054 0.000 1.150 494 D CA 0.163 54.191 54.000 0.046 0.000 0.832 494 D CB -0.282 40.535 40.800 0.029 0.000 0.992 494 D HN 0.484 nan 8.370 nan 0.000 0.502 495 G N 0.150 108.993 108.800 0.071 0.000 2.176 495 G HA2 -0.290 3.673 3.960 0.005 0.000 0.253 495 G HA3 -0.290 3.673 3.960 0.005 0.000 0.253 495 G C 0.496 175.474 174.900 0.130 0.000 0.979 495 G CA 0.239 45.389 45.100 0.082 0.000 0.641 495 G HN 0.422 nan 8.290 nan 0.000 0.530 496 T N 1.503 116.125 114.554 0.113 0.000 2.905 496 T HA 0.405 4.758 4.350 0.005 0.000 0.299 496 T C 0.467 175.250 174.700 0.139 0.000 1.024 496 T CA 1.141 63.311 62.100 0.117 0.000 1.151 496 T CB 0.371 69.293 68.868 0.089 0.000 0.987 496 T HN 1.141 nan 8.240 nan 0.000 0.535 497 N N 0.023 118.794 118.700 0.119 0.000 2.732 497 N HA 0.317 5.060 4.740 0.005 0.000 0.259 497 N C 1.041 176.528 175.510 -0.039 0.000 1.402 497 N CA -0.889 52.201 53.050 0.068 0.000 0.829 497 N CB 0.342 38.889 38.487 0.101 0.000 1.495 497 N HN 0.511 nan 8.380 nan 0.000 0.511 498 C N -0.970 118.279 119.300 -0.085 0.000 2.437 498 C HA 0.167 4.629 4.460 0.005 0.000 0.283 498 C C 1.824 176.548 174.990 -0.442 0.000 1.424 498 C CA 0.036 58.974 59.018 -0.133 0.000 1.782 498 C CB -1.698 26.022 27.740 -0.033 0.000 1.833 498 C HN 0.674 nan 8.230 nan 0.000 0.532 499 L N 2.367 123.323 121.223 -0.445 0.000 2.044 499 L HA 0.009 4.351 4.340 0.005 0.000 0.205 499 L C 3.010 179.625 176.870 -0.425 0.000 1.075 499 L CA 2.587 57.158 54.840 -0.448 0.000 0.747 499 L CB -0.968 40.758 42.059 -0.554 0.000 0.903 499 L HN 0.636 nan 8.230 nan 0.000 0.435 500 T N -6.686 107.669 114.554 -0.332 0.000 2.990 500 T HA 0.049 4.402 4.350 0.005 0.000 0.249 500 T C 0.650 175.265 174.700 -0.143 0.000 1.039 500 T CA 0.195 62.186 62.100 -0.182 0.000 1.036 500 T CB -0.049 68.825 68.868 0.011 0.000 0.994 500 T HN 0.311 nan 8.240 nan 0.000 0.489 501 H N 0.776 119.861 119.070 0.025 0.000 3.080 501 H HA -0.088 4.471 4.556 0.005 0.000 0.254 501 H C -0.968 174.380 175.328 0.034 0.000 1.179 501 H CA 1.220 57.283 56.048 0.024 0.000 1.144 501 H CB -1.988 27.782 29.762 0.014 0.000 1.261 501 H HN 0.492 nan 8.280 nan 0.000 0.333 502 D N -0.383 120.087 120.400 0.116 0.000 2.547 502 D HA 0.399 5.042 4.640 0.005 0.000 0.231 502 D C -2.262 174.091 176.300 0.088 0.000 1.099 502 D CA -1.709 52.346 54.000 0.092 0.000 0.901 502 D CB 2.074 42.920 40.800 0.077 0.000 1.478 502 D HN -0.097 nan 8.370 nan 0.000 0.471 503 P HA 0.263 nan 4.420 nan 0.000 0.272 503 P C -0.386 176.953 177.300 0.066 0.000 1.240 503 P CA -0.130 63.008 63.100 0.064 0.000 0.791 503 P CB 0.765 32.491 31.700 0.043 0.000 0.978 504 I N 2.591 123.194 120.570 0.055 0.000 2.336 504 I HA 0.263 4.435 4.170 0.005 0.000 0.292 504 I C -2.120 174.013 176.117 0.027 0.000 0.991 504 I CA -2.694 58.627 61.300 0.034 0.000 1.227 504 I CB 1.471 39.463 38.000 -0.013 0.000 1.366 504 I HN 0.129 nan 8.210 nan 0.000 0.466 505 P HA 0.040 nan 4.420 nan 0.000 0.261 505 P C 0.767 178.095 177.300 0.046 0.000 1.183 505 P CA 0.769 63.891 63.100 0.037 0.000 0.761 505 P CB 0.492 32.214 31.700 0.037 0.000 0.785 506 G N 2.311 111.142 108.800 0.052 0.000 2.194 506 G HA2 -0.168 3.795 3.960 0.005 0.000 0.236 506 G HA3 -0.168 3.795 3.960 0.005 0.000 0.236 506 G C 0.357 175.294 174.900 0.062 0.000 0.987 506 G CA -0.077 45.065 45.100 0.069 0.000 0.635 506 G HN 0.841 nan 8.290 nan 0.000 0.520 507 A N 0.311 123.155 122.820 0.041 0.000 2.362 507 A HA 0.600 4.923 4.320 0.005 0.000 0.276 507 A C -0.113 177.492 177.584 0.035 0.000 1.153 507 A CA 0.609 52.663 52.037 0.029 0.000 0.813 507 A CB 0.689 19.697 19.000 0.013 0.000 1.081 507 A HN 0.580 nan 8.150 nan 0.000 0.507 508 D N 1.866 122.287 120.400 0.035 0.000 2.419 508 D HA 0.329 4.972 4.640 0.005 0.000 0.219 508 D C 0.406 176.726 176.300 0.034 0.000 1.349 508 D CA 0.246 54.268 54.000 0.036 0.000 0.964 508 D CB 1.145 41.969 40.800 0.039 0.000 1.463 508 D HN 0.446 nan 8.370 nan 0.000 0.573 509 A N 2.229 125.069 122.820 0.033 0.000 2.248 509 A HA -0.035 4.288 4.320 0.005 0.000 0.210 509 A C 1.788 179.390 177.584 0.030 0.000 1.174 509 A CA 1.454 53.507 52.037 0.027 0.000 0.750 509 A CB -0.216 18.806 19.000 0.036 0.000 0.780 509 A HN 0.484 nan 8.150 nan 0.000 0.478 510 S N -0.728 114.992 115.700 0.034 0.000 2.501 510 S HA 0.225 4.698 4.470 0.005 0.000 0.220 510 S C 0.651 175.271 174.600 0.032 0.000 0.997 510 S CA -0.302 57.917 58.200 0.032 0.000 0.919 510 S CB -0.530 62.688 63.200 0.032 0.000 0.778 510 S HN 0.397 nan 8.310 nan 0.000 0.523 511 L N 2.567 123.812 121.223 0.037 0.000 2.467 511 L HA 0.217 4.560 4.340 0.005 0.000 0.270 511 L C -0.917 175.980 176.870 0.045 0.000 1.205 511 L CA -1.651 53.216 54.840 0.044 0.000 0.828 511 L CB 0.251 42.345 42.059 0.058 0.000 1.101 511 L HN 0.064 nan 8.230 nan 0.000 0.479 512 P HA -0.160 nan 4.420 nan 0.000 0.222 512 P C 0.351 177.688 177.300 0.060 0.000 1.147 512 P CA 1.157 64.284 63.100 0.045 0.000 0.790 512 P CB 0.063 31.787 31.700 0.039 0.000 0.780 513 D N -1.796 118.659 120.400 0.092 0.000 2.363 513 D HA 0.037 4.680 4.640 0.005 0.000 0.214 513 D C 0.409 176.779 176.300 0.117 0.000 1.093 513 D CA 0.000 54.088 54.000 0.147 0.000 0.837 513 D CB -0.215 40.731 40.800 0.243 0.000 0.948 513 D HN 0.217 nan 8.370 nan 0.000 0.507 514 Q N -0.108 119.721 119.800 0.048 0.000 2.365 514 Q HA 0.688 5.031 4.340 0.005 0.000 0.269 514 Q C -1.137 174.845 176.000 -0.031 0.000 1.061 514 Q CA -0.902 54.887 55.803 -0.023 0.000 0.816 514 Q CB 2.635 31.368 28.738 -0.009 0.000 1.325 514 Q HN 0.031 nan 8.270 nan 0.000 0.446 515 L N 0.195 121.377 121.223 -0.068 0.000 2.415 515 L HA 0.602 4.945 4.340 0.005 0.000 0.256 515 L C -0.136 176.689 176.870 -0.074 0.000 1.010 515 L CA -0.700 54.103 54.840 -0.061 0.000 0.826 515 L CB 2.272 44.283 42.059 -0.080 0.000 1.405 515 L HN 0.720 nan 8.230 nan 0.000 0.410 516 T N -3.219 111.302 114.554 -0.054 0.000 2.948 516 T HA 0.526 4.879 4.350 0.005 0.000 0.285 516 T C -2.315 172.302 174.700 -0.139 0.000 1.019 516 T CA -2.026 60.038 62.100 -0.061 0.000 1.013 516 T CB 1.845 70.734 68.868 0.036 0.000 1.117 516 T HN 0.308 nan 8.240 nan 0.000 0.533 517 P HA -0.057 nan 4.420 nan 0.000 0.216 517 P C 1.150 178.354 177.300 -0.160 0.000 1.150 517 P CA 1.059 63.947 63.100 -0.353 0.000 0.837 517 P CB 0.058 31.282 31.700 -0.793 0.000 0.786 518 E N -0.439 119.731 120.200 -0.051 0.000 2.051 518 E HA -0.203 4.150 4.350 0.005 0.000 0.192 518 E C 2.155 178.752 176.600 -0.006 0.000 0.991 518 E CA 1.213 57.624 56.400 0.018 0.000 0.799 518 E CB -0.737 29.012 29.700 0.082 0.000 0.748 518 E HN 0.369 nan 8.360 nan 0.000 0.449 519 Q N 0.014 119.806 119.800 -0.014 0.000 2.170 519 Q HA -0.120 4.222 4.340 0.005 0.000 0.203 519 Q C 2.229 178.205 176.000 -0.040 0.000 0.976 519 Q CA 1.246 57.038 55.803 -0.018 0.000 0.858 519 Q CB 0.005 28.734 28.738 -0.015 0.000 0.907 519 Q HN 0.160 nan 8.270 nan 0.000 0.433 520 V N 0.626 120.496 119.914 -0.072 0.000 2.358 520 V HA -0.257 3.866 4.120 0.005 0.000 0.246 520 V C 2.092 178.144 176.094 -0.071 0.000 1.047 520 V CA 1.689 63.935 62.300 -0.091 0.000 1.035 520 V CB -0.395 31.345 31.823 -0.138 0.000 0.658 520 V HN 0.421 nan 8.190 nan 0.000 0.452 521 M N -0.437 119.125 119.600 -0.064 0.000 2.229 521 M HA -0.136 4.346 4.480 0.005 0.000 0.264 521 M C 1.805 178.090 176.300 -0.024 0.000 1.063 521 M CA 1.452 56.725 55.300 -0.046 0.000 1.114 521 M CB -0.536 32.042 32.600 -0.036 0.000 1.387 521 M HN 0.279 nan 8.290 nan 0.000 0.420 522 D N 0.296 120.688 120.400 -0.014 0.000 2.264 522 D HA -0.034 4.609 4.640 0.005 0.000 0.208 522 D C 1.479 177.775 176.300 -0.007 0.000 0.966 522 D CA 1.341 55.339 54.000 -0.003 0.000 0.864 522 D CB -0.272 40.531 40.800 0.006 0.000 0.933 522 D HN 0.528 nan 8.370 nan 0.000 0.499 523 G N 0.770 109.562 108.800 -0.015 0.000 2.203 523 G HA2 -0.335 3.628 3.960 0.005 0.000 0.263 523 G HA3 -0.335 3.628 3.960 0.005 0.000 0.263 523 G C 1.276 176.175 174.900 -0.002 0.000 1.012 523 G CA 0.735 45.829 45.100 -0.011 0.000 0.749 523 G HN 0.213 nan 8.290 nan 0.000 0.512 524 K N -0.109 120.291 120.400 0.000 0.000 2.172 524 K HA 0.140 4.463 4.320 0.005 0.000 0.203 524 K C 1.425 178.029 176.600 0.007 0.000 1.040 524 K CA 0.441 56.731 56.287 0.006 0.000 0.974 524 K CB -0.069 32.436 32.500 0.008 0.000 0.857 524 K HN 0.445 nan 8.250 nan 0.000 0.464 525 K N 2.253 122.655 120.400 0.004 0.000 2.451 525 K HA -0.051 4.272 4.320 0.005 0.000 0.280 525 K C -0.295 176.310 176.600 0.008 0.000 1.020 525 K CA 0.136 56.427 56.287 0.006 0.000 1.008 525 K CB 0.508 33.009 32.500 0.001 0.000 0.917 525 K HN -0.280 nan 8.250 nan 0.000 0.478 526 K N 3.563 123.974 120.400 0.019 0.000 2.401 526 K HA 0.173 4.496 4.320 0.005 0.000 0.278 526 K C -0.579 176.042 176.600 0.036 0.000 1.018 526 K CA 0.276 56.582 56.287 0.031 0.000 0.981 526 K CB 0.415 32.936 32.500 0.034 0.000 0.933 526 K HN 0.426 nan 8.250 nan 0.000 0.477 527 I N 3.149 123.757 120.570 0.063 0.000 2.418 527 I HA 0.311 4.484 4.170 0.005 0.000 0.287 527 I C 0.803 177.031 176.117 0.184 0.000 1.008 527 I CA -0.952 60.387 61.300 0.064 0.000 1.104 527 I CB 1.967 39.929 38.000 -0.063 0.000 1.264 527 I HN 0.673 nan 8.210 nan 0.000 0.438 528 G N 3.669 112.555 108.800 0.144 0.000 2.684 528 G HA2 0.074 4.037 3.960 0.005 0.000 0.255 528 G HA3 0.074 4.037 3.960 0.005 0.000 0.255 528 G C 0.704 175.754 174.900 0.250 0.000 1.219 528 G CA -0.183 45.011 45.100 0.157 0.000 0.901 528 G HN 0.676 nan 8.290 nan 0.000 0.548 529 K N -0.257 120.227 120.400 0.140 0.000 1.985 529 K HA -0.049 4.274 4.320 0.005 0.000 0.210 529 K C 1.322 178.020 176.600 0.162 0.000 1.047 529 K CA 1.020 57.367 56.287 0.100 0.000 0.932 529 K CB -0.130 32.377 32.500 0.012 0.000 0.716 529 K HN 0.427 nan 8.250 nan 0.000 0.439 530 R N 0.870 121.445 120.500 0.124 0.000 2.210 530 R HA 0.257 4.600 4.340 0.005 0.000 0.338 530 R C -1.085 175.295 176.300 0.134 0.000 1.062 530 R CA -0.428 55.742 56.100 0.115 0.000 0.902 530 R CB 1.343 31.700 30.300 0.095 0.000 1.050 530 R HN -0.048 nan 8.270 nan 0.000 0.461 531 V N 4.174 124.142 119.914 0.090 0.000 2.459 531 V HA 0.361 4.484 4.120 0.005 0.000 0.295 531 V C -0.055 176.026 176.094 -0.021 0.000 1.029 531 V CA -0.840 61.469 62.300 0.015 0.000 0.874 531 V CB 2.056 33.839 31.823 -0.066 0.000 0.985 531 V HN 0.400 nan 8.190 nan 0.000 0.438 532 V N 5.924 125.785 119.914 -0.088 0.000 2.448 532 V HA 0.504 4.626 4.120 0.005 0.000 0.295 532 V C -0.259 175.721 176.094 -0.190 0.000 1.025 532 V CA -0.414 61.814 62.300 -0.119 0.000 0.859 532 V CB 1.907 33.658 31.823 -0.120 0.000 0.988 532 V HN 0.685 nan 8.190 nan 0.000 0.431 533 I N 5.662 126.145 120.570 -0.146 0.000 2.330 533 I HA 0.319 4.492 4.170 0.005 0.000 0.289 533 I C -0.560 175.478 176.117 -0.130 0.000 1.001 533 I CA -0.618 60.590 61.300 -0.154 0.000 1.193 533 I CB 1.568 39.489 38.000 -0.133 0.000 1.345 533 I HN 0.397 nan 8.210 nan 0.000 0.461 534 L N 7.759 128.895 121.223 -0.145 0.000 2.278 534 L HA 0.387 4.730 4.340 0.005 0.000 0.287 534 L C -0.401 176.461 176.870 -0.013 0.000 1.072 534 L CA 0.285 55.063 54.840 -0.103 0.000 0.819 534 L CB 0.596 42.553 42.059 -0.169 0.000 1.176 534 L HN 0.555 nan 8.230 nan 0.000 0.435 535 N N 3.716 122.450 118.700 0.057 0.000 2.314 535 N HA 0.769 5.512 4.740 0.005 0.000 0.304 535 N C -0.502 175.093 175.510 0.142 0.000 1.073 535 N CA 0.071 53.167 53.050 0.077 0.000 0.822 535 N CB 2.091 40.590 38.487 0.020 0.000 1.280 535 N HN 0.624 nan 8.380 nan 0.000 0.489 536 A N 2.196 125.081 122.820 0.107 0.000 2.569 536 A HA 0.228 4.551 4.320 0.005 0.000 0.284 536 A C -0.671 176.942 177.584 0.048 0.000 0.948 536 A CA -0.368 51.679 52.037 0.017 0.000 1.007 536 A CB -0.423 18.560 19.000 -0.029 0.000 1.232 536 A HN 0.708 nan 8.150 nan 0.000 0.530 537 D N -0.368 120.089 120.400 0.095 0.000 2.498 537 D HA 0.460 5.103 4.640 0.005 0.000 0.247 537 D C 1.000 177.377 176.300 0.129 0.000 1.070 537 D CA 0.379 54.458 54.000 0.132 0.000 0.842 537 D CB 1.626 42.559 40.800 0.221 0.000 1.361 537 D HN 0.034 nan 8.370 nan 0.000 0.484 538 T N 0.357 115.009 114.554 0.164 0.000 3.206 538 T HA 0.141 4.494 4.350 0.005 0.000 0.253 538 T C 0.587 175.479 174.700 0.320 0.000 1.042 538 T CA -0.180 62.050 62.100 0.217 0.000 0.931 538 T CB -0.494 68.512 68.868 0.230 0.000 1.029 538 T HN 0.480 nan 8.240 nan 0.000 0.564 539 Y N 0.416 120.787 120.300 0.118 0.000 3.288 539 Y HA 0.422 4.974 4.550 0.005 0.000 0.346 539 Y C 1.274 177.253 175.900 0.131 0.000 1.333 539 Y CA -1.263 56.940 58.100 0.172 0.000 0.853 539 Y CB 0.633 39.165 38.460 0.120 0.000 1.155 539 Y HN 0.101 nan 8.280 nan 0.000 0.862 540 F N -0.698 119.311 119.950 0.099 0.000 2.569 540 F HA 0.087 4.617 4.527 0.004 0.000 0.295 540 F C 1.807 177.542 175.800 -0.109 0.000 1.115 540 F CA 0.317 58.274 58.000 -0.072 0.000 1.450 540 F CB -0.567 38.232 39.000 -0.335 0.000 1.107 540 F HN 0.271 nan 8.300 nan 0.000 0.563 541 M N 2.457 121.626 119.600 -0.719 0.000 2.082 541 M HA -0.109 4.374 4.480 0.005 0.000 0.258 541 M C 2.433 178.554 176.300 -0.298 0.000 1.071 541 M CA 2.222 57.216 55.300 -0.510 0.000 1.103 541 M CB -1.057 31.104 32.600 -0.730 0.000 1.307 541 M HN 0.295 nan 8.290 nan 0.000 0.409 542 A N -0.280 122.397 122.820 -0.238 0.000 1.883 542 A HA -0.096 4.226 4.320 0.005 0.000 0.217 542 A C -0.174 177.346 177.584 -0.107 0.000 1.186 542 A CA 1.847 53.785 52.037 -0.166 0.000 0.624 542 A CB -2.266 16.671 19.000 -0.104 0.000 0.822 542 A HN 0.482 nan 8.150 nan 0.000 0.444 543 P HA -0.067 nan 4.420 nan 0.000 0.216 543 P C 1.699 178.965 177.300 -0.057 0.000 1.153 543 P CA 1.714 64.791 63.100 -0.038 0.000 0.848 543 P CB -0.081 31.623 31.700 0.006 0.000 0.787 544 S N -0.570 115.097 115.700 -0.055 0.000 2.368 544 S HA -0.083 4.390 4.470 0.005 0.000 0.225 544 S C 1.843 176.378 174.600 -0.108 0.000 1.030 544 S CA 1.080 59.231 58.200 -0.081 0.000 0.999 544 S CB -1.133 62.043 63.200 -0.041 0.000 0.844 544 S HN 0.111 nan 8.310 nan 0.000 0.459 545 L N 1.080 122.224 121.223 -0.131 0.000 2.093 545 L HA -0.096 4.247 4.340 0.005 0.000 0.208 545 L C 2.784 179.578 176.870 -0.126 0.000 1.085 545 L CA 1.031 55.781 54.840 -0.150 0.000 0.755 545 L CB -0.719 41.221 42.059 -0.199 0.000 0.904 545 L HN 0.318 nan 8.230 nan 0.000 0.435 546 A N 0.028 122.783 122.820 -0.108 0.000 1.877 546 A HA -0.275 4.047 4.320 0.005 0.000 0.216 546 A C 2.278 179.824 177.584 -0.064 0.000 1.186 546 A CA 1.977 53.965 52.037 -0.082 0.000 0.620 546 A CB -0.544 18.416 19.000 -0.066 0.000 0.822 546 A HN 0.473 nan 8.150 nan 0.000 0.443 547 E N -0.177 119.983 120.200 -0.068 0.000 2.051 547 E HA -0.254 4.099 4.350 0.005 0.000 0.192 547 E C 2.115 178.681 176.600 -0.057 0.000 0.991 547 E CA 1.552 57.916 56.400 -0.060 0.000 0.799 547 E CB -0.164 29.493 29.700 -0.072 0.000 0.748 547 E HN 0.614 nan 8.360 nan 0.000 0.449 548 K N 0.415 120.770 120.400 -0.076 0.000 2.032 548 K HA -0.173 4.150 4.320 0.005 0.000 0.209 548 K C 2.276 178.854 176.600 -0.038 0.000 1.048 548 K CA 1.527 57.773 56.287 -0.068 0.000 0.927 548 K CB -0.149 32.296 32.500 -0.091 0.000 0.712 548 K HN 0.196 nan 8.250 nan 0.000 0.441 549 L N 0.266 121.455 121.223 -0.057 0.000 2.093 549 L HA -0.099 4.244 4.340 0.005 0.000 0.208 549 L C 2.663 179.589 176.870 0.093 0.000 1.085 549 L CA 1.033 55.854 54.840 -0.031 0.000 0.755 549 L CB -0.512 41.437 42.059 -0.183 0.000 0.904 549 L HN 0.287 nan 8.230 nan 0.000 0.435 550 A N 0.428 123.270 122.820 0.037 0.000 1.898 550 A HA -0.193 4.130 4.320 0.005 0.000 0.216 550 A C 2.432 180.042 177.584 0.043 0.000 1.181 550 A CA 2.107 54.174 52.037 0.050 0.000 0.620 550 A CB -0.933 18.076 19.000 0.016 0.000 0.819 550 A HN 0.509 nan 8.150 nan 0.000 0.442 551 T N -2.535 112.032 114.554 0.021 0.000 2.962 551 T HA 0.191 4.544 4.350 0.005 0.000 0.270 551 T C 1.524 176.237 174.700 0.021 0.000 1.088 551 T CA 1.209 63.315 62.100 0.010 0.000 1.127 551 T CB -0.308 68.554 68.868 -0.010 0.000 0.883 551 T HN 0.545 nan 8.240 nan 0.000 0.493 552 A N 0.529 123.384 122.820 0.058 0.000 2.278 552 A HA 0.624 4.947 4.320 0.005 0.000 0.212 552 A C 1.972 179.561 177.584 0.009 0.000 1.213 552 A CA 0.430 52.507 52.037 0.067 0.000 0.840 552 A CB -1.104 17.983 19.000 0.146 0.000 0.866 552 A HN 1.265 nan 8.150 nan 0.000 0.489 553 G N -1.331 107.470 108.800 0.001 0.000 2.175 553 G HA2 -0.213 3.750 3.960 0.005 0.000 0.244 553 G HA3 -0.213 3.750 3.960 0.005 0.000 0.244 553 G C 0.175 175.005 174.900 -0.116 0.000 0.982 553 G CA 0.220 45.275 45.100 -0.074 0.000 0.641 553 G HN 0.689 nan 8.290 nan 0.000 0.527 554 H N 0.849 119.913 119.070 -0.010 0.000 2.607 554 H HA 0.363 4.922 4.556 0.005 0.000 0.367 554 H C 0.027 175.353 175.328 -0.004 0.000 1.181 554 H CA 0.178 56.221 56.048 -0.008 0.000 1.402 554 H CB 0.777 30.531 29.762 -0.014 0.000 1.474 554 H HN 0.379 nan 8.280 nan 0.000 0.596 555 E N 1.663 121.936 120.200 0.121 0.000 2.081 555 E HA 0.255 4.608 4.350 0.005 0.000 0.281 555 E C -0.795 175.846 176.600 0.068 0.000 0.986 555 E CA -0.473 55.968 56.400 0.069 0.000 0.796 555 E CB 1.178 30.903 29.700 0.043 0.000 1.085 555 E HN 0.182 nan 8.360 nan 0.000 0.398 556 V N 3.235 123.177 119.914 0.046 0.000 2.435 556 V HA 0.363 4.486 4.120 0.005 0.000 0.290 556 V C 0.095 176.191 176.094 0.004 0.000 1.030 556 V CA -0.565 61.744 62.300 0.015 0.000 0.881 556 V CB 1.880 33.700 31.823 -0.005 0.000 0.983 556 V HN 0.621 nan 8.190 nan 0.000 0.445 557 T N 5.771 120.319 114.554 -0.010 0.000 2.841 557 T HA 0.614 4.966 4.350 0.005 0.000 0.285 557 T C -0.426 174.251 174.700 -0.037 0.000 0.991 557 T CA -0.197 61.894 62.100 -0.016 0.000 0.966 557 T CB 1.111 69.974 68.868 -0.009 0.000 0.962 557 T HN 0.404 nan 8.240 nan 0.000 0.438 558 I N 3.102 123.651 120.570 -0.034 0.000 2.321 558 I HA 0.399 4.572 4.170 0.005 0.000 0.291 558 I C -0.344 175.752 176.117 -0.034 0.000 0.998 558 I CA -0.971 60.305 61.300 -0.040 0.000 1.227 558 I CB 1.538 39.522 38.000 -0.026 0.000 1.368 558 I HN 0.240 nan 8.210 nan 0.000 0.466 559 V N 5.482 125.368 119.914 -0.047 0.000 2.333 559 V HA 0.256 4.379 4.120 0.005 0.000 0.274 559 V C 0.127 176.228 176.094 0.011 0.000 1.028 559 V CA -0.141 62.135 62.300 -0.041 0.000 0.851 559 V CB 1.373 33.142 31.823 -0.090 0.000 1.000 559 V HN 0.761 nan 8.190 nan 0.000 0.456 560 S N 3.362 119.087 115.700 0.041 0.000 2.552 560 S HA 0.572 5.045 4.470 0.005 0.000 0.314 560 S C 1.014 175.631 174.600 0.028 0.000 1.099 560 S CA 0.035 58.268 58.200 0.055 0.000 1.070 560 S CB 1.525 64.749 63.200 0.040 0.000 0.998 560 S HN 0.903 nan 8.310 nan 0.000 0.474 561 G N 2.786 111.600 108.800 0.024 0.000 2.880 561 G HA2 0.284 4.246 3.960 0.005 0.000 0.209 561 G HA3 0.284 4.246 3.960 0.005 0.000 0.209 561 G C 0.420 175.152 174.900 -0.280 0.000 1.157 561 G CA 0.726 45.718 45.100 -0.181 0.000 0.779 561 G HN 0.907 nan 8.290 nan 0.000 0.539 562 V N -4.080 115.724 119.914 -0.182 0.000 3.155 562 V HA 0.573 4.696 4.120 0.005 0.000 0.313 562 V C -0.664 175.354 176.094 -0.127 0.000 1.162 562 V CA -1.861 60.332 62.300 -0.179 0.000 1.048 562 V CB 1.156 32.936 31.823 -0.071 0.000 1.092 562 V HN 0.148 nan 8.190 nan 0.000 0.447 563 H N 1.619 120.734 119.070 0.075 0.000 3.082 563 H HA 0.380 4.939 4.556 0.005 0.000 0.275 563 H C 0.071 175.473 175.328 0.124 0.000 1.032 563 H CA -0.018 56.096 56.048 0.111 0.000 1.477 563 H CB 0.637 30.473 29.762 0.123 0.000 1.520 563 H HN 0.662 nan 8.280 nan 0.000 0.521 564 L N 3.382 124.736 121.223 0.219 0.000 2.601 564 L HA 0.037 4.380 4.340 0.005 0.000 0.277 564 L C 0.764 177.774 176.870 0.232 0.000 1.219 564 L CA 0.907 55.854 54.840 0.178 0.000 0.915 564 L CB -0.513 41.625 42.059 0.131 0.000 1.160 564 L HN 0.926 nan 8.230 nan 0.000 0.494 565 A N 3.181 126.123 122.820 0.204 0.000 2.799 565 A HA -0.327 3.996 4.320 0.005 0.000 0.287 565 A C 1.612 179.323 177.584 0.211 0.000 1.484 565 A CA 1.220 53.401 52.037 0.240 0.000 0.813 565 A CB -2.508 16.602 19.000 0.183 0.000 1.009 565 A HN 1.035 nan 8.150 nan 0.000 0.545 566 N N -1.035 117.777 118.700 0.186 0.000 2.061 566 N HA -0.206 4.537 4.740 0.005 0.000 0.193 566 N C 1.306 176.776 175.510 -0.068 0.000 1.030 566 N CA 2.503 55.603 53.050 0.083 0.000 0.856 566 N CB -0.367 38.241 38.487 0.202 0.000 1.023 566 N HN 0.747 nan 8.380 nan 0.000 0.424 567 Y N 0.242 120.550 120.300 0.014 0.000 2.403 567 Y HA -0.032 4.521 4.550 0.005 0.000 0.291 567 Y C 1.909 177.780 175.900 -0.047 0.000 1.143 567 Y CA 1.129 59.236 58.100 0.013 0.000 1.257 567 Y CB -0.044 38.334 38.460 -0.136 0.000 0.984 567 Y HN 0.190 nan 8.280 nan 0.000 0.550 568 M N -1.297 118.350 119.600 0.079 0.000 2.557 568 M HA -0.192 4.291 4.480 0.005 0.000 0.259 568 M C 1.561 177.830 176.300 -0.052 0.000 1.086 568 M CA 0.695 56.072 55.300 0.128 0.000 1.096 568 M CB -0.201 32.563 32.600 0.273 0.000 1.424 568 M HN 0.307 nan 8.290 nan 0.000 0.488 569 H N -0.324 118.545 119.070 -0.334 0.000 2.357 569 H HA -0.068 4.491 4.556 0.005 0.000 0.301 569 H C 1.804 176.908 175.328 -0.373 0.000 1.082 569 H CA 1.645 57.392 56.048 -0.502 0.000 1.342 569 H CB -0.330 28.867 29.762 -0.942 0.000 1.389 569 H HN 0.445 nan 8.280 nan 0.000 0.511 570 F N 0.467 120.373 119.950 -0.073 0.000 2.293 570 F HA -0.092 4.438 4.527 0.005 0.000 0.297 570 F C 2.558 178.283 175.800 -0.124 0.000 1.089 570 F CA 1.095 58.994 58.000 -0.169 0.000 1.377 570 F CB -0.234 38.495 39.000 -0.451 0.000 1.051 570 F HN 0.118 nan 8.300 nan 0.000 0.511 571 T N -1.938 112.639 114.554 0.038 0.000 3.129 571 T HA 0.141 4.494 4.350 0.005 0.000 0.251 571 T C 0.992 175.703 174.700 0.018 0.000 1.117 571 T CA 0.163 62.308 62.100 0.075 0.000 1.034 571 T CB -0.536 68.456 68.868 0.206 0.000 0.968 571 T HN 0.357 nan 8.240 nan 0.000 0.526 572 L N -0.759 120.461 121.223 -0.004 0.000 4.759 572 L HA -0.232 4.111 4.340 0.005 0.000 0.419 572 L C 1.178 178.078 176.870 0.049 0.000 1.093 572 L CA 1.184 55.987 54.840 -0.061 0.000 1.037 572 L CB -2.242 39.621 42.059 -0.327 0.000 2.095 572 L HN 0.384 nan 8.230 nan 0.000 0.739 573 E N -0.904 119.388 120.200 0.154 0.000 2.400 573 E HA -0.071 4.282 4.350 0.005 0.000 0.195 573 E C 1.637 178.373 176.600 0.226 0.000 1.012 573 E CA 0.543 57.113 56.400 0.284 0.000 0.875 573 E CB 0.069 29.963 29.700 0.324 0.000 0.859 573 E HN 0.591 nan 8.360 nan 0.000 0.498 574 Y N 2.166 122.473 120.300 0.012 0.000 2.069 574 Y HA -0.228 4.325 4.550 0.004 0.000 0.278 574 Y C -0.890 174.977 175.900 -0.055 0.000 1.175 574 Y CA 2.156 60.210 58.100 -0.077 0.000 1.134 574 Y CB -0.960 37.324 38.460 -0.294 0.000 0.965 574 Y HN 0.050 nan 8.280 nan 0.000 0.498 575 P HA -0.188 nan 4.420 nan 0.000 0.213 575 P C 1.087 178.284 177.300 -0.173 0.000 1.170 575 P CA 2.326 65.432 63.100 0.010 0.000 0.902 575 P CB -0.039 31.683 31.700 0.036 0.000 0.789 576 N N -1.508 117.001 118.700 -0.318 0.000 2.309 576 N HA -0.110 4.632 4.740 0.005 0.000 0.182 576 N C 1.602 176.913 175.510 -0.332 0.000 1.018 576 N CA 0.954 53.644 53.050 -0.600 0.000 0.876 576 N CB -0.732 36.829 38.487 -1.544 0.000 0.972 576 N HN 0.104 nan 8.380 nan 0.000 0.434 577 M N 0.217 119.771 119.600 -0.077 0.000 2.099 577 M HA 0.015 4.497 4.480 0.005 0.000 0.262 577 M C 1.687 177.914 176.300 -0.122 0.000 1.067 577 M CA 1.246 56.577 55.300 0.052 0.000 1.124 577 M CB -0.139 32.479 32.600 0.031 0.000 1.353 577 M HN -0.050 nan 8.290 nan 0.000 0.410 578 M N -0.475 118.956 119.600 -0.282 0.000 2.159 578 M HA -0.152 4.331 4.480 0.005 0.000 0.263 578 M C 2.164 178.399 176.300 -0.109 0.000 1.063 578 M CA 1.683 56.830 55.300 -0.255 0.000 1.110 578 M CB -1.250 31.131 32.600 -0.365 0.000 1.374 578 M HN 0.314 nan 8.290 nan 0.000 0.411 579 R N -0.579 119.851 120.500 -0.115 0.000 2.075 579 R HA -0.141 4.202 4.340 0.005 0.000 0.232 579 R C 2.327 178.616 176.300 -0.019 0.000 1.126 579 R CA 1.238 57.300 56.100 -0.064 0.000 0.963 579 R CB -0.370 29.864 30.300 -0.109 0.000 0.858 579 R HN 0.160 nan 8.270 nan 0.000 0.435 580 R N 1.483 121.962 120.500 -0.035 0.000 2.073 580 R HA -0.074 4.269 4.340 0.005 0.000 0.234 580 R C 2.031 178.313 176.300 -0.029 0.000 1.134 580 R CA 1.546 57.641 56.100 -0.008 0.000 0.952 580 R CB -0.763 29.572 30.300 0.059 0.000 0.850 580 R HN 0.190 nan 8.270 nan 0.000 0.433 581 L N -0.225 120.981 121.223 -0.029 0.000 2.083 581 L HA -0.204 4.138 4.340 0.005 0.000 0.209 581 L C 2.692 179.533 176.870 -0.049 0.000 1.083 581 L CA 1.719 56.536 54.840 -0.039 0.000 0.752 581 L CB -0.831 41.204 42.059 -0.039 0.000 0.899 581 L HN 0.453 nan 8.230 nan 0.000 0.433 582 H N 1.338 120.343 119.070 -0.107 0.000 2.326 582 H HA -0.177 4.383 4.556 0.006 0.000 0.301 582 H C 1.993 177.186 175.328 -0.226 0.000 1.081 582 H CA 1.953 57.929 56.048 -0.120 0.000 1.334 582 H CB 0.231 29.941 29.762 -0.087 0.000 1.385 582 H HN 0.562 nan 8.280 nan 0.000 0.504 583 E N 0.524 120.606 120.200 -0.197 0.000 2.268 583 E HA -0.103 4.250 4.350 0.005 0.000 0.195 583 E C 1.981 178.289 176.600 -0.488 0.000 0.995 583 E CA 0.642 56.848 56.400 -0.324 0.000 0.836 583 E CB -0.222 29.407 29.700 -0.118 0.000 0.763 583 E HN 0.445 nan 8.360 nan 0.000 0.491 584 L N 0.534 121.562 121.223 -0.325 0.000 2.591 584 L HA 0.089 4.432 4.340 0.005 0.000 0.228 584 L C -0.022 176.761 176.870 -0.144 0.000 1.133 584 L CA -0.069 54.653 54.840 -0.197 0.000 0.880 584 L CB -0.558 41.453 42.059 -0.079 0.000 1.033 584 L HN 0.236 nan 8.230 nan 0.000 0.450 585 H N -1.554 117.442 119.070 -0.123 0.000 2.839 585 H HA -0.106 4.453 4.556 0.005 0.000 0.298 585 H C -0.053 175.232 175.328 -0.071 0.000 1.224 585 H CA 0.104 56.078 56.048 -0.123 0.000 1.144 585 H CB -2.077 27.627 29.762 -0.096 0.000 1.372 585 H HN 0.055 nan 8.280 nan 0.000 0.408 586 V N 0.998 120.908 119.914 -0.006 0.000 2.488 586 V HA 0.074 4.197 4.120 0.005 0.000 0.277 586 V C 1.043 177.144 176.094 0.011 0.000 1.046 586 V CA -0.033 62.270 62.300 0.004 0.000 0.986 586 V CB 1.863 33.676 31.823 -0.016 0.000 0.989 586 V HN 0.328 nan 8.190 nan 0.000 0.475 587 E N 4.095 124.304 120.200 0.016 0.000 2.283 587 E HA 0.335 4.688 4.350 0.005 0.000 0.278 587 E C -0.640 175.966 176.600 0.009 0.000 1.027 587 E CA -0.471 55.940 56.400 0.017 0.000 0.843 587 E CB 0.894 30.601 29.700 0.012 0.000 1.062 587 E HN 0.740 nan 8.360 nan 0.000 0.401 588 E N 3.669 123.881 120.200 0.021 0.000 2.176 588 E HA 0.283 4.636 4.350 0.005 0.000 0.267 588 E C -0.875 175.737 176.600 0.020 0.000 0.893 588 E CA -0.718 55.696 56.400 0.023 0.000 0.761 588 E CB 1.467 31.193 29.700 0.045 0.000 1.133 588 E HN 0.272 nan 8.360 nan 0.000 0.409 589 L N 3.405 124.630 121.223 0.003 0.000 2.435 589 L HA 0.380 4.723 4.340 0.005 0.000 0.253 589 L C 0.258 177.171 176.870 0.072 0.000 1.087 589 L CA 0.063 54.891 54.840 -0.021 0.000 0.950 589 L CB 0.438 42.412 42.059 -0.141 0.000 1.304 589 L HN 0.658 nan 8.230 nan 0.000 0.453 590 G N 0.796 109.671 108.800 0.125 0.000 2.599 590 G HA2 0.286 4.249 3.960 0.005 0.000 0.264 590 G HA3 0.286 4.249 3.960 0.005 0.000 0.264 590 G C 0.114 175.117 174.900 0.172 0.000 1.200 590 G CA -0.200 44.978 45.100 0.131 0.000 0.896 590 G HN 0.667 nan 8.290 nan 0.000 0.536 591 D N -1.041 119.369 120.400 0.016 0.000 2.837 591 D HA -0.138 4.505 4.640 0.005 0.000 0.230 591 D C 0.003 176.075 176.300 -0.380 0.000 1.152 591 D CA 1.533 55.433 54.000 -0.168 0.000 0.736 591 D CB -1.359 39.416 40.800 -0.042 0.000 1.084 591 D HN 0.606 nan 8.370 nan 0.000 0.429 592 H N -1.752 117.198 119.070 -0.199 0.000 2.851 592 H HA 0.691 5.250 4.556 0.005 0.000 0.372 592 H C -0.643 174.541 175.328 -0.240 0.000 1.158 592 H CA -0.629 55.256 56.048 -0.272 0.000 1.159 592 H CB 1.447 31.090 29.762 -0.199 0.000 1.757 592 H HN -0.050 nan 8.280 nan 0.000 0.546 593 F N 0.164 119.720 119.950 -0.657 0.000 2.790 593 F HA 0.559 5.088 4.527 0.005 0.000 0.337 593 F C -0.944 174.503 175.800 -0.589 0.000 1.163 593 F CA -1.348 56.294 58.000 -0.596 0.000 0.997 593 F CB 1.414 40.086 39.000 -0.547 0.000 1.437 593 F HN 0.609 nan 8.300 nan 0.000 0.512 594 C N 1.658 120.301 119.300 -1.094 0.000 2.351 594 C HA 0.587 5.050 4.460 0.005 0.000 0.326 594 C C 0.964 175.864 174.990 -0.149 0.000 1.272 594 C CA 0.359 59.035 59.018 -0.569 0.000 1.650 594 C CB -0.030 27.325 27.740 -0.642 0.000 2.257 594 C HN 0.806 nan 8.230 nan 0.000 0.505 595 S N 4.196 119.941 115.700 0.076 0.000 2.483 595 S HA 0.214 4.686 4.470 0.005 0.000 0.221 595 S C 0.340 174.927 174.600 -0.021 0.000 1.030 595 S CA -0.208 58.056 58.200 0.107 0.000 0.925 595 S CB -0.024 63.255 63.200 0.132 0.000 0.795 595 S HN 0.956 nan 8.310 nan 0.000 0.511 596 R N -0.311 120.132 120.500 -0.094 0.000 2.687 596 R HA 0.640 4.982 4.340 0.005 0.000 0.265 596 R C -2.186 174.098 176.300 -0.027 0.000 1.048 596 R CA -0.895 55.177 56.100 -0.047 0.000 0.884 596 R CB 0.471 30.774 30.300 0.004 0.000 1.258 596 R HN 0.191 nan 8.270 nan 0.000 0.469 597 I N 0.836 121.454 120.570 0.081 0.000 2.689 597 I HA 0.486 4.659 4.170 0.005 0.000 0.299 597 I C -0.329 175.929 176.117 0.235 0.000 1.059 597 I CA -0.865 60.542 61.300 0.179 0.000 1.055 597 I CB 2.444 40.527 38.000 0.138 0.000 1.243 597 I HN 0.628 nan 8.210 nan 0.000 0.425 598 E N 4.389 124.764 120.200 0.291 0.000 2.410 598 E HA 0.441 4.794 4.350 0.005 0.000 0.269 598 E C -2.632 174.039 176.600 0.118 0.000 0.937 598 E CA -2.105 54.406 56.400 0.186 0.000 0.793 598 E CB 2.282 32.078 29.700 0.161 0.000 1.314 598 E HN 0.244 nan 8.360 nan 0.000 0.447 599 P HA 0.056 nan 4.420 nan 0.000 0.267 599 P C 0.297 177.483 177.300 -0.191 0.000 1.209 599 P CA 0.955 64.046 63.100 -0.014 0.000 0.763 599 P CB 0.360 32.052 31.700 -0.015 0.000 0.816 600 G N 2.698 111.228 108.800 -0.450 0.000 2.189 600 G HA2 -0.262 3.701 3.960 0.005 0.000 0.267 600 G HA3 -0.262 3.701 3.960 0.005 0.000 0.267 600 G C 0.067 174.331 174.900 -1.060 0.000 0.975 600 G CA 0.355 44.959 45.100 -0.827 0.000 0.644 600 G HN 0.800 nan 8.290 nan 0.000 0.537 601 R N -1.313 118.712 120.500 -0.793 0.000 2.664 601 R HA 0.738 5.081 4.340 0.005 0.000 0.266 601 R C -0.549 175.958 176.300 0.344 0.000 1.046 601 R CA -0.761 55.226 56.100 -0.188 0.000 0.885 601 R CB 0.856 31.171 30.300 0.025 0.000 1.254 601 R HN 0.767 nan 8.270 nan 0.000 0.465 602 M N -0.442 119.437 119.600 0.465 0.000 2.531 602 M HA 0.515 4.998 4.480 0.005 0.000 0.286 602 M C -1.305 174.910 176.300 -0.142 0.000 1.232 602 M CA -0.872 54.581 55.300 0.256 0.000 0.877 602 M CB 2.772 35.506 32.600 0.223 0.000 1.726 602 M HN 0.739 nan 8.290 nan 0.000 0.463 603 E N 3.503 123.315 120.200 -0.646 0.000 2.146 603 E HA 0.641 4.994 4.350 0.005 0.000 0.282 603 E C -1.309 175.077 176.600 -0.356 0.000 0.989 603 E CA -0.702 55.130 56.400 -0.946 0.000 0.799 603 E CB 1.285 30.152 29.700 -1.389 0.000 1.088 603 E HN 0.731 nan 8.360 nan 0.000 0.397 604 I N 1.523 121.958 120.570 -0.226 0.000 2.910 604 I HA 0.667 4.840 4.170 0.005 0.000 0.310 604 I C -1.232 174.884 176.117 -0.001 0.000 1.043 604 I CA -1.115 60.108 61.300 -0.128 0.000 1.053 604 I CB 1.541 39.450 38.000 -0.152 0.000 1.242 604 I HN 0.496 nan 8.210 nan 0.000 0.452 605 Y N 0.792 121.034 120.300 -0.097 0.000 2.597 605 Y HA 0.494 5.047 4.550 0.005 0.000 0.340 605 Y C -1.043 174.739 175.900 -0.196 0.000 1.097 605 Y CA -1.313 56.639 58.100 -0.247 0.000 1.037 605 Y CB 0.642 38.715 38.460 -0.646 0.000 1.305 605 Y HN 0.677 nan 8.280 nan 0.000 0.463 606 N N 2.777 121.351 118.700 -0.210 0.000 2.497 606 N HA 0.102 4.845 4.740 0.005 0.000 0.271 606 N C 0.973 176.307 175.510 -0.295 0.000 1.142 606 N CA -0.002 52.714 53.050 -0.558 0.000 0.965 606 N CB 1.051 39.342 38.487 -0.327 0.000 1.077 606 N HN 0.993 nan 8.380 nan 0.000 0.462 607 I N 0.199 120.453 120.570 -0.527 0.000 2.916 607 I HA 0.016 4.189 4.170 0.005 0.000 0.267 607 I C 0.231 175.999 176.117 -0.582 0.000 1.263 607 I CA 0.562 61.535 61.300 -0.545 0.000 1.471 607 I CB -0.191 37.305 38.000 -0.839 0.000 1.089 607 I HN 0.405 nan 8.210 nan 0.000 0.468 608 W N 1.381 122.645 121.300 -0.060 0.000 3.015 608 W HA 0.488 5.152 4.660 0.005 0.000 0.429 608 W C 1.892 178.396 176.519 -0.025 0.000 0.976 608 W CA -0.465 56.859 57.345 -0.035 0.000 2.086 608 W CB 0.642 30.077 29.460 -0.042 0.000 1.125 608 W HN 0.038 nan 8.180 nan 0.000 0.721 609 G N -0.270 108.601 108.800 0.117 0.000 2.712 609 G HA2 -0.096 3.867 3.960 0.005 0.000 0.212 609 G HA3 -0.096 3.867 3.960 0.005 0.000 0.212 609 G C 0.435 175.380 174.900 0.075 0.000 1.142 609 G CA 0.061 45.206 45.100 0.076 0.000 0.789 609 G HN 0.068 nan 8.290 nan 0.000 0.535 610 D N 0.646 121.098 120.400 0.087 0.000 2.357 610 D HA 0.297 4.939 4.640 0.005 0.000 0.242 610 D C 0.900 177.246 176.300 0.077 0.000 1.153 610 D CA 0.065 54.106 54.000 0.069 0.000 0.918 610 D CB 1.351 42.191 40.800 0.066 0.000 1.181 610 D HN 0.075 nan 8.370 nan 0.000 0.435 611 G N -0.382 108.451 108.800 0.055 0.000 2.491 611 G HA2 0.111 4.074 3.960 0.005 0.000 0.238 611 G HA3 0.111 4.074 3.960 0.005 0.000 0.238 611 G C 1.125 176.055 174.900 0.051 0.000 1.277 611 G CA -0.158 44.970 45.100 0.048 0.000 0.851 611 G HN 0.386 nan 8.290 nan 0.000 0.573 612 S N 0.932 116.656 115.700 0.040 0.000 2.428 612 S HA 0.008 4.481 4.470 0.005 0.000 0.230 612 S C 0.927 175.543 174.600 0.026 0.000 1.014 612 S CA 0.616 58.834 58.200 0.031 0.000 0.957 612 S CB 0.032 63.240 63.200 0.013 0.000 0.784 612 S HN 0.530 nan 8.310 nan 0.000 0.499 613 K N 1.892 122.307 120.400 0.025 0.000 2.258 613 K HA 0.305 4.627 4.320 0.005 0.000 0.284 613 K C -0.203 176.414 176.600 0.029 0.000 1.051 613 K CA -0.370 55.931 56.287 0.024 0.000 0.923 613 K CB 0.992 33.504 32.500 0.020 0.000 1.046 613 K HN 0.194 nan 8.250 nan 0.000 0.474 614 R N 2.362 122.881 120.500 0.033 0.000 2.265 614 R HA 0.221 4.564 4.340 0.005 0.000 0.319 614 R C -1.067 175.262 176.300 0.048 0.000 1.006 614 R CA -0.058 56.066 56.100 0.041 0.000 0.880 614 R CB 0.962 31.290 30.300 0.046 0.000 1.077 614 R HN 0.526 nan 8.270 nan 0.000 0.454 615 T N 4.137 118.720 114.554 0.050 0.000 2.921 615 T HA 0.120 4.473 4.350 0.005 0.000 0.297 615 T C -1.343 173.403 174.700 0.076 0.000 1.013 615 T CA -0.468 61.669 62.100 0.061 0.000 0.990 615 T CB 0.898 69.785 68.868 0.031 0.000 1.023 615 T HN 0.509 nan 8.240 nan 0.000 0.447 616 Y N 3.352 123.657 120.300 0.008 0.000 2.587 616 Y HA 0.223 4.776 4.550 0.005 0.000 0.344 616 Y C 1.141 177.046 175.900 0.007 0.000 1.061 616 Y CA 0.128 58.233 58.100 0.008 0.000 1.370 616 Y CB 0.203 38.667 38.460 0.007 0.000 1.163 616 Y HN 0.558 nan 8.280 nan 0.000 0.527 617 R N 4.452 124.632 120.500 -0.534 0.000 2.577 617 R HA 0.303 4.646 4.340 0.005 0.000 0.344 617 R C 0.492 176.485 176.300 -0.511 0.000 1.037 617 R CA 0.185 56.053 56.100 -0.387 0.000 1.102 617 R CB 0.457 30.642 30.300 -0.191 0.000 1.313 617 R HN 0.970 nan 8.270 nan 0.000 0.561 618 G N 2.625 110.784 108.800 -1.068 0.000 2.829 618 G HA2 -0.208 3.755 3.960 0.005 0.000 0.628 618 G HA3 -0.208 3.755 3.960 0.005 0.000 0.628 618 G C -2.556 172.154 174.900 -0.316 0.000 1.412 618 G CA -1.105 43.621 45.100 -0.623 0.000 0.864 618 G HN 0.079 nan 8.290 nan 0.000 0.544 619 P HA 0.403 nan 4.420 nan 0.000 0.272 619 P C 1.175 178.444 177.300 -0.051 0.000 1.223 619 P CA 1.579 64.655 63.100 -0.041 0.000 0.784 619 P CB 0.802 32.509 31.700 0.012 0.000 0.923 620 G N 0.463 109.243 108.800 -0.033 0.000 2.267 620 G HA2 -0.204 3.759 3.960 0.005 0.000 0.257 620 G HA3 -0.204 3.759 3.960 0.005 0.000 0.257 620 G C -0.094 174.781 174.900 -0.040 0.000 0.998 620 G CA 0.253 45.336 45.100 -0.030 0.000 0.620 620 G HN 0.597 nan 8.290 nan 0.000 0.529 621 V N 0.996 120.871 119.914 -0.064 0.000 2.513 621 V HA 0.746 4.869 4.120 0.005 0.000 0.299 621 V C 0.811 176.866 176.094 -0.066 0.000 1.035 621 V CA -0.118 62.141 62.300 -0.067 0.000 0.889 621 V CB 1.692 33.460 31.823 -0.091 0.000 0.988 621 V HN 0.620 nan 8.190 nan 0.000 0.440 622 S N 5.068 120.742 115.700 -0.043 0.000 2.564 622 S HA 0.249 4.722 4.470 0.005 0.000 0.278 622 S C -1.089 173.491 174.600 -0.034 0.000 1.333 622 S CA -0.850 57.334 58.200 -0.028 0.000 1.048 622 S CB 0.942 64.132 63.200 -0.015 0.000 0.900 622 S HN 0.741 nan 8.310 nan 0.000 0.505 623 P HA 0.104 nan 4.420 nan 0.000 0.249 623 P C -0.326 176.979 177.300 0.008 0.000 1.241 623 P CA 0.297 63.391 63.100 -0.009 0.000 0.781 623 P CB 0.091 31.807 31.700 0.027 0.000 1.088 624 R N -0.366 120.140 120.500 0.009 0.000 2.867 624 R HA 0.374 4.717 4.340 0.005 0.000 0.268 624 R C -0.544 175.764 176.300 0.013 0.000 1.014 624 R CA -1.006 55.105 56.100 0.018 0.000 0.946 624 R CB 0.892 31.211 30.300 0.032 0.000 1.208 624 R HN -0.124 nan 8.270 nan 0.000 0.477 625 D N 1.169 121.580 120.400 0.018 0.000 2.423 625 D HA 0.124 4.767 4.640 0.005 0.000 0.238 625 D C 0.072 176.385 176.300 0.022 0.000 1.142 625 D CA 0.291 54.301 54.000 0.017 0.000 0.884 625 D CB 0.787 41.600 40.800 0.022 0.000 1.199 625 D HN 0.557 nan 8.370 nan 0.000 0.438 626 A N 2.368 125.199 122.820 0.019 0.000 2.483 626 A HA -0.003 4.319 4.320 0.005 0.000 0.238 626 A C 0.675 178.284 177.584 0.043 0.000 1.070 626 A CA -0.244 51.807 52.037 0.023 0.000 0.770 626 A CB 0.057 19.067 19.000 0.016 0.000 1.008 626 A HN 0.483 nan 8.150 nan 0.000 0.497 627 N N 1.135 119.865 118.700 0.049 0.000 2.420 627 N HA 0.114 4.856 4.740 0.005 0.000 0.262 627 N C 0.612 176.207 175.510 0.142 0.000 1.144 627 N CA 0.806 53.890 53.050 0.056 0.000 0.952 627 N CB 0.582 39.062 38.487 -0.012 0.000 1.081 627 N HN 0.648 nan 8.380 nan 0.000 0.480 628 T N -0.967 113.661 114.554 0.123 0.000 3.266 628 T HA 0.073 4.426 4.350 0.005 0.000 0.278 628 T C 1.055 175.856 174.700 0.169 0.000 1.010 628 T CA -0.246 61.969 62.100 0.192 0.000 0.909 628 T CB -0.588 68.348 68.868 0.114 0.000 1.122 628 T HN 0.337 nan 8.240 nan 0.000 0.536 629 S N 0.301 116.038 115.700 0.060 0.000 2.593 629 S HA 0.052 4.525 4.470 0.005 0.000 0.217 629 S C 0.623 175.237 174.600 0.024 0.000 0.966 629 S CA -0.621 57.597 58.200 0.029 0.000 0.914 629 S CB -0.851 62.349 63.200 -0.000 0.000 0.776 629 S HN 0.690 nan 8.310 nan 0.000 0.523 630 H N 3.267 122.386 119.070 0.081 0.000 3.001 630 H HA 0.257 4.816 4.556 0.005 0.000 0.334 630 H C 0.656 175.999 175.328 0.025 0.000 1.034 630 H CA 0.523 56.596 56.048 0.041 0.000 1.420 630 H CB 0.263 30.013 29.762 -0.020 0.000 1.405 630 H HN 0.568 nan 8.280 nan 0.000 0.593 631 R N 1.859 122.397 120.500 0.062 0.000 2.680 631 R HA 0.318 4.661 4.340 0.005 0.000 0.269 631 R C -1.888 174.392 176.300 -0.032 0.000 1.026 631 R CA -1.018 55.131 56.100 0.082 0.000 0.889 631 R CB 1.151 31.509 30.300 0.096 0.000 1.241 631 R HN 0.306 nan 8.270 nan 0.000 0.463 632 W N 2.754 124.089 121.300 0.059 0.000 2.438 632 W HA 0.607 5.270 4.660 0.005 0.000 0.324 632 W C 0.201 176.734 176.519 0.023 0.000 1.119 632 W CA -0.578 56.792 57.345 0.042 0.000 1.221 632 W CB 1.265 30.739 29.460 0.024 0.000 1.253 632 W HN 0.594 nan 8.180 nan 0.000 0.555 633 I N -1.108 119.605 120.570 0.240 0.000 2.647 633 I HA 0.584 4.757 4.170 0.005 0.000 0.295 633 I C -0.452 175.772 176.117 0.178 0.000 1.078 633 I CA -1.281 60.114 61.300 0.158 0.000 1.048 633 I CB 2.114 40.166 38.000 0.086 0.000 1.239 633 I HN 0.337 nan 8.210 nan 0.000 0.421 634 E N 3.803 124.064 120.200 0.102 0.000 2.280 634 E HA 0.678 5.031 4.350 0.005 0.000 0.264 634 E C -1.440 175.218 176.600 0.097 0.000 1.064 634 E CA -0.604 55.794 56.400 -0.002 0.000 0.900 634 E CB 1.933 31.603 29.700 -0.050 0.000 1.123 634 E HN 0.573 nan 8.360 nan 0.000 0.418 635 F N -1.495 118.473 119.950 0.030 0.000 2.693 635 F HA 0.379 4.909 4.527 0.005 0.000 0.309 635 F C -0.322 175.489 175.800 0.017 0.000 1.129 635 F CA -0.985 57.025 58.000 0.017 0.000 0.948 635 F CB 0.823 39.827 39.000 0.007 0.000 1.315 635 F HN 0.192 nan 8.300 nan 0.000 0.447 636 D N 0.582 121.162 120.400 0.299 0.000 2.259 636 D HA 0.155 4.798 4.640 0.005 0.000 0.216 636 D C -0.091 176.407 176.300 0.329 0.000 0.961 636 D CA 1.152 55.274 54.000 0.203 0.000 0.878 636 D CB 0.514 41.394 40.800 0.133 0.000 1.009 636 D HN 0.399 nan 8.370 nan 0.000 0.490 637 S N -0.013 115.880 115.700 0.322 0.000 2.547 637 S HA 0.487 4.960 4.470 0.005 0.000 0.281 637 S C -1.177 173.344 174.600 -0.132 0.000 1.118 637 S CA -0.701 57.588 58.200 0.148 0.000 0.947 637 S CB 2.539 65.759 63.200 0.034 0.000 1.053 637 S HN 0.051 nan 8.310 nan 0.000 0.482 638 L N 3.942 124.918 121.223 -0.411 0.000 2.305 638 L HA 0.687 5.030 4.340 0.005 0.000 0.284 638 L C -1.218 175.445 176.870 -0.345 0.000 1.013 638 L CA -0.428 54.005 54.840 -0.679 0.000 0.819 638 L CB 1.214 42.572 42.059 -1.169 0.000 1.227 638 L HN 0.452 nan 8.230 nan 0.000 0.417 639 V N 6.723 126.468 119.914 -0.282 0.000 2.370 639 V HA 0.356 4.479 4.120 0.005 0.000 0.279 639 V C 0.153 176.128 176.094 -0.199 0.000 1.029 639 V CA -0.512 61.659 62.300 -0.215 0.000 0.870 639 V CB 1.273 32.969 31.823 -0.210 0.000 0.984 639 V HN 0.593 nan 8.190 nan 0.000 0.451 640 L N 5.844 126.973 121.223 -0.155 0.000 2.260 640 L HA 0.449 4.792 4.340 0.005 0.000 0.289 640 L C -0.218 176.593 176.870 -0.098 0.000 1.057 640 L CA -0.300 54.480 54.840 -0.099 0.000 0.811 640 L CB 1.250 43.287 42.059 -0.037 0.000 1.184 640 L HN 0.416 nan 8.230 nan 0.000 0.429 641 V N 1.826 121.689 119.914 -0.085 0.000 2.454 641 V HA 0.060 4.183 4.120 0.005 0.000 0.255 641 V C 1.025 177.195 176.094 0.128 0.000 1.009 641 V CA 0.024 62.249 62.300 -0.124 0.000 1.149 641 V CB 0.585 32.228 31.823 -0.299 0.000 1.418 641 V HN 0.925 nan 8.190 nan 0.000 0.567 642 T N -2.206 112.492 114.554 0.240 0.000 3.037 642 T HA 0.555 4.908 4.350 0.005 0.000 0.251 642 T C 0.830 175.680 174.700 0.250 0.000 1.079 642 T CA 0.620 62.868 62.100 0.247 0.000 1.067 642 T CB 0.914 69.919 68.868 0.229 0.000 0.948 642 T HN 1.068 nan 8.240 nan 0.000 0.496 643 G N 0.178 109.185 108.800 0.344 0.000 2.337 643 G HA2 0.431 4.394 3.960 0.005 0.000 0.298 643 G HA3 0.431 4.394 3.960 0.005 0.000 0.298 643 G C -1.893 172.931 174.900 -0.127 0.000 1.335 643 G CA -1.230 43.931 45.100 0.102 0.000 0.875 643 G HN 0.350 nan 8.290 nan 0.000 0.579 644 R N -0.269 120.015 120.500 -0.361 0.000 2.892 644 R HA 0.697 5.039 4.340 0.005 0.000 0.265 644 R C -0.736 175.433 176.300 -0.217 0.000 1.025 644 R CA -1.020 54.770 56.100 -0.517 0.000 0.982 644 R CB 2.059 31.833 30.300 -0.876 0.000 1.185 644 R HN 0.871 nan 8.270 nan 0.000 0.484 645 H N -1.735 117.209 119.070 -0.211 0.000 2.851 645 H HA 0.376 4.934 4.556 0.005 0.000 0.372 645 H C -1.188 174.068 175.328 -0.120 0.000 1.158 645 H CA -0.808 55.166 56.048 -0.123 0.000 1.159 645 H CB 1.510 31.236 29.762 -0.060 0.000 1.757 645 H HN 0.336 nan 8.280 nan 0.000 0.546 646 S N 1.458 117.150 115.700 -0.014 0.000 2.549 646 S HA -0.020 4.453 4.470 0.005 0.000 0.283 646 S C 0.479 175.107 174.600 0.046 0.000 1.320 646 S CA -0.263 57.910 58.200 -0.045 0.000 1.058 646 S CB 0.485 63.669 63.200 -0.027 0.000 0.882 646 S HN 0.627 nan 8.310 nan 0.000 0.498 647 E N 1.858 122.055 120.200 -0.006 0.000 1.924 647 E HA 0.213 4.566 4.350 0.005 0.000 0.261 647 E C 0.007 176.647 176.600 0.066 0.000 1.088 647 E CA -0.742 55.690 56.400 0.054 0.000 0.909 647 E CB -0.672 29.035 29.700 0.011 0.000 1.112 647 E HN 0.650 nan 8.360 nan 0.000 0.425 648 C N 1.925 121.289 119.300 0.106 0.000 2.741 648 C HA 0.416 4.879 4.460 0.005 0.000 0.267 648 C C 1.356 176.473 174.990 0.210 0.000 1.549 648 C CA -0.258 58.854 59.018 0.157 0.000 1.772 648 C CB -0.975 26.851 27.740 0.144 0.000 2.962 648 C HN 0.521 nan 8.230 nan 0.000 0.514 649 T N 1.446 116.087 114.554 0.145 0.000 2.674 649 T HA -0.167 4.185 4.350 0.005 0.000 0.265 649 T C 1.863 176.634 174.700 0.118 0.000 1.039 649 T CA 1.740 63.910 62.100 0.118 0.000 1.150 649 T CB -0.220 68.698 68.868 0.084 0.000 0.864 649 T HN 0.629 nan 8.240 nan 0.000 0.427 650 L N 0.227 121.522 121.223 0.120 0.000 1.990 650 L HA -0.157 4.185 4.340 0.005 0.000 0.213 650 L C 2.550 179.501 176.870 0.135 0.000 1.072 650 L CA 1.873 56.775 54.840 0.103 0.000 0.755 650 L CB -0.422 41.693 42.059 0.093 0.000 0.889 650 L HN 0.575 nan 8.230 nan 0.000 0.432 651 W N 1.296 122.610 121.300 0.024 0.000 2.335 651 W HA -0.283 4.380 4.660 0.005 0.000 0.311 651 W C 1.989 178.552 176.519 0.074 0.000 1.213 651 W CA 2.162 59.532 57.345 0.041 0.000 1.274 651 W CB -0.637 28.847 29.460 0.039 0.000 1.148 651 W HN 0.341 nan 8.180 nan 0.000 0.498 652 N N 0.276 119.020 118.700 0.073 0.000 2.166 652 N HA -0.213 4.530 4.740 0.005 0.000 0.186 652 N C 1.667 177.119 175.510 -0.096 0.000 1.019 652 N CA 1.865 54.889 53.050 -0.044 0.000 0.856 652 N CB -0.392 38.146 38.487 0.086 0.000 0.993 652 N HN 0.292 nan 8.380 nan 0.000 0.426 653 E N 0.738 120.916 120.200 -0.037 0.000 2.072 653 E HA -0.110 4.243 4.350 0.005 0.000 0.191 653 E C 1.986 178.566 176.600 -0.033 0.000 0.985 653 E CA 0.669 57.053 56.400 -0.025 0.000 0.801 653 E CB -0.039 29.664 29.700 0.006 0.000 0.750 653 E HN 0.344 nan 8.360 nan 0.000 0.452 654 L N 0.981 122.175 121.223 -0.048 0.000 2.083 654 L HA -0.205 4.138 4.340 0.005 0.000 0.209 654 L C 2.425 179.367 176.870 0.121 0.000 1.083 654 L CA 0.946 55.813 54.840 0.045 0.000 0.752 654 L CB -0.309 41.708 42.059 -0.071 0.000 0.899 654 L HN 0.013 nan 8.230 nan 0.000 0.433 655 K N 0.040 120.309 120.400 -0.218 0.000 2.097 655 K HA -0.043 4.280 4.320 0.005 0.000 0.205 655 K C 2.187 178.644 176.600 -0.238 0.000 1.050 655 K CA 1.318 57.417 56.287 -0.313 0.000 0.938 655 K CB -0.391 31.787 32.500 -0.537 0.000 0.718 655 K HN 0.261 nan 8.250 nan 0.000 0.442 656 A N 1.480 124.206 122.820 -0.157 0.000 1.902 656 A HA -0.144 4.179 4.320 0.005 0.000 0.217 656 A C 1.604 179.116 177.584 -0.121 0.000 1.181 656 A CA 1.204 53.171 52.037 -0.117 0.000 0.623 656 A CB -0.271 18.688 19.000 -0.069 0.000 0.818 656 A HN 0.250 nan 8.150 nan 0.000 0.443 657 R N -0.305 120.149 120.500 -0.076 0.000 2.978 657 R HA 0.175 4.518 4.340 0.005 0.000 0.298 657 R C 0.996 177.208 176.300 -0.148 0.000 1.296 657 R CA 0.118 56.186 56.100 -0.054 0.000 1.181 657 R CB 0.004 30.326 30.300 0.037 0.000 1.348 657 R HN 0.706 nan 8.270 nan 0.000 0.585 658 E N 0.573 120.494 120.200 -0.464 0.000 2.204 658 E HA -0.139 4.214 4.350 0.005 0.000 0.195 658 E C 0.905 177.018 176.600 -0.812 0.000 0.990 658 E CA 1.070 56.734 56.400 -1.228 0.000 0.821 658 E CB 0.250 29.208 29.700 -1.237 0.000 0.750 658 E HN 0.231 nan 8.360 nan 0.000 0.477 659 S N 0.797 116.263 115.700 -0.390 0.000 2.440 659 S HA -0.153 4.320 4.470 0.005 0.000 0.238 659 S C 1.365 175.898 174.600 -0.110 0.000 1.010 659 S CA 1.115 59.185 58.200 -0.216 0.000 0.972 659 S CB -0.160 62.957 63.200 -0.138 0.000 0.774 659 S HN 0.366 nan 8.310 nan 0.000 0.501 660 E N -0.272 119.897 120.200 -0.052 0.000 2.442 660 E HA -0.039 4.314 4.350 0.005 0.000 0.195 660 E C 1.234 177.956 176.600 0.204 0.000 1.030 660 E CA 0.125 56.568 56.400 0.073 0.000 0.869 660 E CB -0.033 29.722 29.700 0.092 0.000 0.857 660 E HN 0.546 nan 8.360 nan 0.000 0.505 661 W N 1.644 122.913 121.300 -0.052 0.000 2.317 661 W HA -0.160 4.502 4.660 0.005 0.000 0.318 661 W C 2.601 179.099 176.519 -0.035 0.000 1.227 661 W CA 1.003 58.316 57.345 -0.052 0.000 1.269 661 W CB -1.371 28.049 29.460 -0.068 0.000 1.155 661 W HN 0.095 nan 8.180 nan 0.000 0.484 662 A N 0.523 123.464 122.820 0.203 0.000 1.873 662 A HA -0.285 4.037 4.320 0.005 0.000 0.218 662 A C 1.876 179.505 177.584 0.076 0.000 1.193 662 A CA 2.305 54.408 52.037 0.110 0.000 0.629 662 A CB -1.053 17.983 19.000 0.060 0.000 0.826 662 A HN 0.459 nan 8.150 nan 0.000 0.447 663 E N 0.022 120.260 120.200 0.064 0.000 2.171 663 E HA -0.182 4.171 4.350 0.005 0.000 0.197 663 E C 0.792 177.417 176.600 0.041 0.000 0.997 663 E CA 1.216 57.642 56.400 0.043 0.000 0.810 663 E CB -0.275 29.446 29.700 0.036 0.000 0.738 663 E HN 0.618 nan 8.360 nan 0.000 0.467 664 N N 1.056 119.790 118.700 0.057 0.000 2.276 664 N HA -0.030 4.712 4.740 0.005 0.000 0.212 664 N C -0.705 174.820 175.510 0.026 0.000 1.127 664 N CA 0.258 53.330 53.050 0.036 0.000 0.834 664 N CB 0.572 39.079 38.487 0.034 0.000 1.014 664 N HN 0.062 nan 8.380 nan 0.000 0.491 665 D N 0.785 121.208 120.400 0.038 0.000 2.837 665 D HA -0.182 4.461 4.640 0.005 0.000 0.230 665 D C -0.164 176.150 176.300 0.023 0.000 1.152 665 D CA 0.719 54.739 54.000 0.032 0.000 0.736 665 D CB -1.419 39.392 40.800 0.018 0.000 1.084 665 D HN 0.441 nan 8.370 nan 0.000 0.429 666 I N 0.599 121.187 120.570 0.030 0.000 2.297 666 I HA 0.066 4.239 4.170 0.005 0.000 0.291 666 I C 1.641 177.777 176.117 0.031 0.000 1.033 666 I CA -0.392 60.891 61.300 -0.028 0.000 1.253 666 I CB 1.126 39.038 38.000 -0.146 0.000 1.396 666 I HN -0.235 nan 8.210 nan 0.000 0.476 667 K N 4.064 124.473 120.400 0.015 0.000 2.217 667 K HA 0.150 4.473 4.320 0.005 0.000 0.202 667 K C 0.769 177.416 176.600 0.078 0.000 1.051 667 K CA 0.258 56.586 56.287 0.068 0.000 0.952 667 K CB 0.184 32.728 32.500 0.074 0.000 0.736 667 K HN 0.830 nan 8.250 nan 0.000 0.453 668 G N 0.129 108.877 108.800 -0.086 0.000 2.473 668 G HA2 0.426 4.389 3.960 0.005 0.000 0.298 668 G HA3 0.426 4.389 3.960 0.005 0.000 0.298 668 G C -1.735 172.687 174.900 -0.796 0.000 1.575 668 G CA -0.893 44.055 45.100 -0.254 0.000 0.846 668 G HN -0.015 nan 8.290 nan 0.000 0.585 669 I N 0.880 120.896 120.570 -0.924 0.000 2.498 669 I HA 0.484 4.657 4.170 0.005 0.000 0.290 669 I C -1.142 174.688 176.117 -0.479 0.000 1.032 669 I CA -0.912 59.889 61.300 -0.832 0.000 1.073 669 I CB 2.128 39.580 38.000 -0.914 0.000 1.251 669 I HN 0.415 nan 8.210 nan 0.000 0.426 670 Y N 5.459 125.854 120.300 0.158 0.000 2.485 670 Y HA 0.602 5.154 4.550 0.005 0.000 0.345 670 Y C -0.547 175.301 175.900 -0.087 0.000 0.998 670 Y CA -1.274 56.882 58.100 0.094 0.000 1.059 670 Y CB 1.607 40.068 38.460 0.002 0.000 1.234 670 Y HN 0.324 nan 8.280 nan 0.000 0.461 671 L N 5.456 126.523 121.223 -0.260 0.000 2.296 671 L HA 0.734 5.077 4.340 0.005 0.000 0.286 671 L C -0.594 176.122 176.870 -0.257 0.000 1.023 671 L CA -0.685 53.845 54.840 -0.516 0.000 0.812 671 L CB 0.524 41.807 42.059 -1.292 0.000 1.223 671 L HN 0.656 nan 8.230 nan 0.000 0.421 672 I N 1.952 122.426 120.570 -0.160 0.000 3.145 672 I HA 1.010 5.182 4.170 0.005 0.000 0.313 672 I C 0.617 176.694 176.117 -0.067 0.000 1.122 672 I CA -0.290 60.956 61.300 -0.090 0.000 0.987 672 I CB 1.741 39.712 38.000 -0.049 0.000 1.236 672 I HN 0.859 nan 8.210 nan 0.000 0.453 673 G N 2.531 111.317 108.800 -0.024 0.000 2.564 673 G HA2 -0.270 3.693 3.960 0.005 0.000 0.273 673 G HA3 -0.270 3.693 3.960 0.005 0.000 0.273 673 G C 0.228 175.106 174.900 -0.036 0.000 1.242 673 G CA 0.667 45.766 45.100 -0.002 0.000 0.951 673 G HN 0.854 nan 8.290 nan 0.000 0.564 674 D N 0.526 120.897 120.400 -0.048 0.000 2.221 674 D HA 0.035 4.677 4.640 0.005 0.000 0.204 674 D C 2.684 178.917 176.300 -0.111 0.000 0.982 674 D CA 1.897 55.836 54.000 -0.101 0.000 0.857 674 D CB -0.622 40.081 40.800 -0.162 0.000 0.934 674 D HN 0.837 nan 8.370 nan 0.000 0.475 675 A N 0.657 123.419 122.820 -0.096 0.000 2.015 675 A HA -0.175 4.148 4.320 0.005 0.000 0.219 675 A C 2.089 179.588 177.584 -0.142 0.000 1.163 675 A CA 1.305 53.281 52.037 -0.101 0.000 0.646 675 A CB -0.303 18.645 19.000 -0.087 0.000 0.806 675 A HN 0.231 nan 8.150 nan 0.000 0.448 676 E N -0.800 119.309 120.200 -0.152 0.000 2.060 676 E HA 0.305 4.658 4.350 0.005 0.000 0.189 676 E C 0.282 176.820 176.600 -0.103 0.000 0.974 676 E CA 0.774 57.071 56.400 -0.172 0.000 0.808 676 E CB 0.126 29.733 29.700 -0.154 0.000 0.768 676 E HN 0.510 nan 8.360 nan 0.000 0.453 677 A N 0.825 123.596 122.820 -0.082 0.000 2.547 677 A HA 0.414 4.737 4.320 0.005 0.000 0.298 677 A C -2.860 174.675 177.584 -0.083 0.000 1.062 677 A CA -1.190 50.806 52.037 -0.069 0.000 0.748 677 A CB 1.159 20.132 19.000 -0.045 0.000 1.288 677 A HN -0.082 nan 8.150 nan 0.000 0.396 678 P HA 0.218 nan 4.420 nan 0.000 0.262 678 P C -0.420 176.818 177.300 -0.103 0.000 1.199 678 P CA 0.429 63.432 63.100 -0.160 0.000 0.763 678 P CB 0.393 31.953 31.700 -0.235 0.000 0.790 679 R N 2.582 123.039 120.500 -0.072 0.000 2.950 679 R HA 0.549 4.892 4.340 0.005 0.000 0.253 679 R C -0.001 176.311 176.300 0.019 0.000 1.168 679 R CA -1.276 54.813 56.100 -0.018 0.000 1.014 679 R CB 0.408 30.721 30.300 0.021 0.000 1.228 679 R HN 0.330 nan 8.270 nan 0.000 0.487 680 L N 1.300 122.553 121.223 0.049 0.000 2.436 680 L HA 0.235 4.578 4.340 0.005 0.000 0.265 680 L C 2.064 179.008 176.870 0.122 0.000 1.168 680 L CA -0.223 54.687 54.840 0.117 0.000 0.815 680 L CB 0.385 42.494 42.059 0.082 0.000 1.109 680 L HN 0.512 nan 8.230 nan 0.000 0.462 681 I N 1.500 122.162 120.570 0.153 0.000 2.248 681 I HA -0.341 3.832 4.170 0.005 0.000 0.248 681 I C 2.559 178.714 176.117 0.064 0.000 1.107 681 I CA 1.625 62.977 61.300 0.088 0.000 1.373 681 I CB -0.315 37.672 38.000 -0.021 0.000 1.055 681 I HN 0.869 nan 8.210 nan 0.000 0.418 682 A N 0.454 123.313 122.820 0.065 0.000 1.908 682 A HA -0.248 4.074 4.320 0.005 0.000 0.218 682 A C 1.987 179.661 177.584 0.150 0.000 1.181 682 A CA 2.185 54.279 52.037 0.095 0.000 0.627 682 A CB -0.542 18.495 19.000 0.061 0.000 0.818 682 A HN 0.379 nan 8.150 nan 0.000 0.445 683 D N -0.304 120.170 120.400 0.124 0.000 2.194 683 D HA 0.074 4.716 4.640 0.005 0.000 0.204 683 D C 2.218 178.661 176.300 0.238 0.000 0.964 683 D CA 1.179 55.283 54.000 0.172 0.000 0.846 683 D CB -0.309 40.539 40.800 0.080 0.000 0.962 683 D HN 0.424 nan 8.370 nan 0.000 0.490 684 A N 0.626 123.544 122.820 0.164 0.000 1.877 684 A HA -0.159 4.164 4.320 0.005 0.000 0.216 684 A C 2.368 180.056 177.584 0.173 0.000 1.186 684 A CA 1.937 54.059 52.037 0.142 0.000 0.620 684 A CB -0.928 18.144 19.000 0.120 0.000 0.822 684 A HN 0.167 nan 8.150 nan 0.000 0.443 685 T N -0.702 113.977 114.554 0.208 0.000 2.720 685 T HA -0.153 4.200 4.350 0.005 0.000 0.268 685 T C 1.591 176.441 174.700 0.251 0.000 1.037 685 T CA 1.635 63.884 62.100 0.247 0.000 1.144 685 T CB -0.414 68.652 68.868 0.329 0.000 0.864 685 T HN 0.529 nan 8.240 nan 0.000 0.444 686 F N 2.601 122.637 119.950 0.142 0.000 2.134 686 F HA -0.178 4.352 4.527 0.005 0.000 0.299 686 F C 2.581 178.491 175.800 0.183 0.000 1.097 686 F CA 1.805 59.908 58.000 0.172 0.000 1.264 686 F CB -0.861 38.222 39.000 0.138 0.000 1.001 686 F HN 0.225 nan 8.300 nan 0.000 0.479 687 T N -1.976 112.626 114.554 0.080 0.000 2.788 687 T HA -0.090 4.262 4.350 0.005 0.000 0.268 687 T C 2.291 176.917 174.700 -0.125 0.000 1.044 687 T CA 1.188 63.249 62.100 -0.065 0.000 1.139 687 T CB -1.633 67.271 68.868 0.060 0.000 0.867 687 T HN 0.348 nan 8.240 nan 0.000 0.454 688 G N 0.377 109.151 108.800 -0.044 0.000 2.421 688 G HA2 -0.238 3.725 3.960 0.005 0.000 0.216 688 G HA3 -0.238 3.725 3.960 0.005 0.000 0.216 688 G C 1.379 176.197 174.900 -0.136 0.000 1.171 688 G CA 0.951 46.014 45.100 -0.062 0.000 0.775 688 G HN 0.701 nan 8.290 nan 0.000 0.543 689 H N 0.051 118.994 119.070 -0.212 0.000 2.353 689 H HA 0.031 4.590 4.556 0.005 0.000 0.300 689 H C 2.605 177.621 175.328 -0.519 0.000 1.090 689 H CA 1.786 57.641 56.048 -0.321 0.000 1.327 689 H CB 0.021 29.627 29.762 -0.260 0.000 1.383 689 H HN 0.273 nan 8.280 nan 0.000 0.508 690 R N 0.249 120.514 120.500 -0.392 0.000 2.066 690 R HA -0.109 4.234 4.340 0.005 0.000 0.232 690 R C 2.298 178.458 176.300 -0.232 0.000 1.131 690 R CA 1.634 57.553 56.100 -0.303 0.000 0.955 690 R CB -0.246 29.881 30.300 -0.289 0.000 0.851 690 R HN 0.398 nan 8.270 nan 0.000 0.432 691 V N -1.362 118.415 119.914 -0.230 0.000 2.490 691 V HA -0.074 4.049 4.120 0.005 0.000 0.250 691 V C 2.308 178.242 176.094 -0.266 0.000 1.061 691 V CA 1.628 63.787 62.300 -0.234 0.000 1.064 691 V CB -1.096 30.604 31.823 -0.205 0.000 0.670 691 V HN 0.358 nan 8.190 nan 0.000 0.461 692 A N 0.714 123.353 122.820 -0.301 0.000 1.873 692 A HA -0.098 4.224 4.320 0.005 0.000 0.215 692 A C 2.412 179.799 177.584 -0.329 0.000 1.186 692 A CA 1.598 53.429 52.037 -0.343 0.000 0.616 692 A CB -0.525 18.242 19.000 -0.388 0.000 0.823 692 A HN 0.453 nan 8.150 nan 0.000 0.442 693 R N 0.081 120.353 120.500 -0.380 0.000 2.115 693 R HA -0.063 4.280 4.340 0.005 0.000 0.230 693 R C 0.610 176.840 176.300 -0.118 0.000 1.111 693 R CA 1.377 57.298 56.100 -0.297 0.000 0.976 693 R CB -0.357 29.624 30.300 -0.531 0.000 0.870 693 R HN 0.690 nan 8.270 nan 0.000 0.445 694 E N 0.160 120.292 120.200 -0.113 0.000 2.496 694 E HA 0.051 4.404 4.350 0.005 0.000 0.200 694 E C 0.944 177.467 176.600 -0.129 0.000 1.016 694 E CA -0.311 56.054 56.400 -0.058 0.000 0.962 694 E CB 0.137 29.834 29.700 -0.005 0.000 1.071 694 E HN 0.049 nan 8.360 nan 0.000 0.457 695 I N 1.489 121.954 120.570 -0.174 0.000 2.423 695 I HA -0.233 3.940 4.170 0.005 0.000 0.254 695 I C 1.606 177.671 176.117 -0.086 0.000 1.151 695 I CA 1.458 62.635 61.300 -0.205 0.000 1.421 695 I CB 0.301 38.110 38.000 -0.318 0.000 1.079 695 I HN 0.003 nan 8.210 nan 0.000 0.431 696 E N 0.595 120.787 120.200 -0.015 0.000 2.479 696 E HA 0.053 4.406 4.350 0.005 0.000 0.193 696 E C 0.555 177.175 176.600 0.033 0.000 1.049 696 E CA 0.071 56.499 56.400 0.047 0.000 0.870 696 E CB -0.118 29.637 29.700 0.092 0.000 0.944 696 E HN 0.524 nan 8.360 nan 0.000 0.492 697 E N 0.406 120.607 120.200 0.002 0.000 2.391 697 E HA 0.163 4.516 4.350 0.005 0.000 0.255 697 E C 1.174 177.785 176.600 0.018 0.000 1.187 697 E CA 0.157 56.564 56.400 0.011 0.000 0.941 697 E CB 0.627 30.328 29.700 0.000 0.000 1.010 697 E HN -0.017 nan 8.360 nan 0.000 0.458 698 A N 1.677 124.515 122.820 0.030 0.000 1.917 698 A HA -0.203 4.120 4.320 0.005 0.000 0.219 698 A C 1.077 178.695 177.584 0.056 0.000 1.182 698 A CA 1.808 53.872 52.037 0.046 0.000 0.633 698 A CB -0.145 18.880 19.000 0.042 0.000 0.819 698 A HN 0.460 nan 8.150 nan 0.000 0.448 699 N N -1.776 116.942 118.700 0.030 0.000 2.685 699 N HA 0.317 5.059 4.740 0.005 0.000 0.252 699 N C -2.739 172.738 175.510 -0.055 0.000 1.261 699 N CA -1.760 51.312 53.050 0.037 0.000 0.768 699 N CB 1.132 39.660 38.487 0.069 0.000 1.304 699 N HN -0.169 nan 8.380 nan 0.000 0.536 700 P HA -0.127 nan 4.420 nan 0.000 0.223 700 P C 1.083 178.190 177.300 -0.321 0.000 1.144 700 P CA 0.870 63.731 63.100 -0.399 0.000 0.783 700 P CB 0.498 31.672 31.700 -0.876 0.000 0.771 701 Q N -0.569 119.132 119.800 -0.165 0.000 2.167 701 Q HA -0.060 4.283 4.340 0.005 0.000 0.202 701 Q C 0.510 176.511 176.000 0.003 0.000 0.970 701 Q CA 1.231 57.028 55.803 -0.009 0.000 0.855 701 Q CB -0.137 28.695 28.738 0.156 0.000 0.911 701 Q HN 0.104 nan 8.270 nan 0.000 0.438 702 I N 0.829 121.407 120.570 0.012 0.000 2.441 702 I HA 0.457 4.629 4.170 0.005 0.000 0.295 702 I C -0.246 175.894 176.117 0.038 0.000 0.994 702 I CA -1.277 60.045 61.300 0.036 0.000 1.144 702 I CB 0.809 38.836 38.000 0.044 0.000 1.314 702 I HN 0.085 nan 8.210 nan 0.000 0.445 703 A N 7.035 129.900 122.820 0.075 0.000 2.445 703 A HA 0.419 4.742 4.320 0.005 0.000 0.242 703 A C 0.346 177.976 177.584 0.077 0.000 1.075 703 A CA -0.278 51.822 52.037 0.106 0.000 0.777 703 A CB 0.055 19.166 19.000 0.185 0.000 1.013 703 A HN 0.707 nan 8.150 nan 0.000 0.493 704 I N -0.217 120.401 120.570 0.080 0.000 2.764 704 I HA 0.511 4.684 4.170 0.005 0.000 0.294 704 I C -2.341 173.791 176.117 0.025 0.000 1.045 704 I CA -2.158 59.168 61.300 0.045 0.000 1.340 704 I CB 0.039 38.071 38.000 0.052 0.000 1.436 704 I HN 0.314 nan 8.210 nan 0.000 0.567 705 P HA 0.116 nan 4.420 nan 0.000 0.268 705 P C -1.437 175.800 177.300 -0.104 0.000 1.208 705 P CA 0.345 63.350 63.100 -0.157 0.000 0.777 705 P CB 0.149 31.756 31.700 -0.154 0.000 0.875 706 Y N -1.579 118.681 120.300 -0.066 0.000 2.549 706 Y HA 0.563 5.115 4.550 0.005 0.000 0.339 706 Y C 0.138 175.985 175.900 -0.088 0.000 1.053 706 Y CA -1.623 56.410 58.100 -0.113 0.000 1.105 706 Y CB 1.143 39.509 38.460 -0.157 0.000 1.258 706 Y HN 0.063 nan 8.280 nan 0.000 0.478 707 K N 2.678 123.145 120.400 0.112 0.000 2.416 707 K HA 0.204 4.527 4.320 0.005 0.000 0.283 707 K C -0.602 176.138 176.600 0.234 0.000 1.037 707 K CA -0.055 56.277 56.287 0.074 0.000 0.995 707 K CB 0.467 32.925 32.500 -0.071 0.000 0.938 707 K HN 0.671 nan 8.250 nan 0.000 0.475 708 R N 2.346 122.939 120.500 0.156 0.000 2.368 708 R HA 0.132 4.475 4.340 0.005 0.000 0.302 708 R C -0.290 176.109 176.300 0.165 0.000 1.002 708 R CA -0.461 55.747 56.100 0.180 0.000 0.929 708 R CB 1.186 31.534 30.300 0.080 0.000 1.073 708 R HN 0.544 nan 8.270 nan 0.000 0.464 709 E N 2.295 122.591 120.200 0.159 0.000 2.490 709 E HA 0.139 4.492 4.350 0.005 0.000 0.232 709 E C -0.791 175.852 176.600 0.071 0.000 1.091 709 E CA -0.126 56.341 56.400 0.112 0.000 1.050 709 E CB 1.223 30.973 29.700 0.083 0.000 1.342 709 E HN 0.425 nan 8.360 nan 0.000 0.454 710 T N 1.355 115.949 114.554 0.066 0.000 2.887 710 T HA 0.323 4.676 4.350 0.005 0.000 0.288 710 T C 0.261 174.993 174.700 0.052 0.000 1.021 710 T CA -0.619 61.512 62.100 0.051 0.000 1.000 710 T CB 1.808 70.704 68.868 0.048 0.000 1.034 710 T HN 0.317 nan 8.240 nan 0.000 0.467 711 I N 2.323 122.925 120.570 0.054 0.000 2.872 711 I HA 0.351 4.524 4.170 0.005 0.000 0.291 711 I C 0.264 176.424 176.117 0.072 0.000 1.216 711 I CA -0.132 61.207 61.300 0.065 0.000 1.424 711 I CB 0.328 38.377 38.000 0.083 0.000 1.351 711 I HN 0.724 nan 8.210 nan 0.000 0.592 712 A N 8.827 131.677 122.820 0.051 0.000 2.249 712 A HA 0.163 4.486 4.320 0.005 0.000 0.314 712 A C -0.389 177.221 177.584 0.042 0.000 1.290 712 A CA -0.628 51.436 52.037 0.045 0.000 0.893 712 A CB 0.236 19.235 19.000 -0.002 0.000 1.165 712 A HN 0.904 nan 8.150 nan 0.000 0.530 713 W N 3.213 124.454 121.300 -0.098 0.000 2.385 713 W HA 0.303 4.966 4.660 0.004 0.000 0.336 713 W C 0.763 177.075 176.519 -0.344 0.000 1.351 713 W CA 1.819 59.076 57.345 -0.147 0.000 1.295 713 W CB 0.339 29.756 29.460 -0.071 0.000 1.239 713 W HN 1.353 nan 8.180 nan 0.000 0.565 714 G N 3.394 111.324 108.800 -1.450 0.000 2.253 714 G HA2 -0.231 3.732 3.960 0.005 0.000 0.209 714 G HA3 -0.231 3.732 3.960 0.005 0.000 0.209 714 G C -0.104 174.033 174.900 -1.271 0.000 0.997 714 G CA 0.061 43.944 45.100 -2.028 0.000 0.640 714 G HN 0.546 nan 8.290 nan 0.000 0.496 715 T N 4.196 118.364 114.554 -0.643 0.000 2.772 715 T HA 0.608 4.961 4.350 0.005 0.000 0.288 715 T C -2.435 172.183 174.700 -0.138 0.000 0.994 715 T CA -0.793 61.130 62.100 -0.295 0.000 0.951 715 T CB 2.765 71.534 68.868 -0.164 0.000 0.933 715 T HN 0.265 nan 8.240 nan 0.000 0.447 716 P HA 0.184 nan 4.420 nan 0.000 0.284 716 P C 0.609 177.946 177.300 0.062 0.000 1.253 716 P CA -0.480 62.657 63.100 0.061 0.000 0.800 716 P CB 1.156 32.909 31.700 0.088 0.000 0.961 717 H N 2.785 121.868 119.070 0.022 0.000 2.389 717 H HA -0.016 4.543 4.556 0.005 0.000 0.299 717 H C 0.332 175.669 175.328 0.015 0.000 1.081 717 H CA 0.718 56.774 56.048 0.013 0.000 1.345 717 H CB 0.251 30.025 29.762 0.020 0.000 1.393 717 H HN 0.241 nan 8.280 nan 0.000 0.520 718 M N 2.712 122.323 119.600 0.018 0.000 2.184 718 M HA 0.243 4.726 4.480 0.005 0.000 0.351 718 M C -2.468 173.805 176.300 -0.045 0.000 1.395 718 M CA -2.070 53.215 55.300 -0.026 0.000 1.117 718 M CB 1.044 33.676 32.600 0.053 0.000 1.708 718 M HN -0.149 nan 8.290 nan 0.000 0.468 719 P HA 0.205 nan 4.420 nan 0.000 0.262 719 P C 0.474 177.760 177.300 -0.022 0.000 1.199 719 P CA 0.959 64.028 63.100 -0.051 0.000 0.763 719 P CB 0.359 32.026 31.700 -0.055 0.000 0.790 720 G N 2.327 111.119 108.800 -0.013 0.000 2.148 720 G HA2 -0.166 3.797 3.960 0.005 0.000 0.254 720 G HA3 -0.166 3.797 3.960 0.005 0.000 0.254 720 G C 0.609 175.511 174.900 0.003 0.000 0.981 720 G CA -0.163 44.935 45.100 -0.004 0.000 0.670 720 G HN 0.866 nan 8.290 nan 0.000 0.528 721 G N -0.714 108.093 108.800 0.012 0.000 2.547 721 G HA2 0.481 4.444 3.960 0.005 0.000 0.291 721 G HA3 0.481 4.444 3.960 0.005 0.000 0.291 721 G C -0.179 174.732 174.900 0.018 0.000 1.211 721 G CA -0.028 45.082 45.100 0.017 0.000 0.950 721 G HN 0.466 nan 8.290 nan 0.000 0.504 722 N N -0.308 118.382 118.700 -0.016 0.000 2.437 722 N HA 0.241 4.983 4.740 0.005 0.000 0.259 722 N C 0.704 176.154 175.510 -0.100 0.000 0.983 722 N CA -1.127 51.866 53.050 -0.094 0.000 0.937 722 N CB 1.004 39.406 38.487 -0.142 0.000 1.122 722 N HN 0.357 nan 8.380 nan 0.000 0.499 723 F N 1.981 121.844 119.950 -0.145 0.000 2.615 723 F HA 0.382 4.912 4.527 0.005 0.000 0.297 723 F C 0.500 176.190 175.800 -0.183 0.000 1.124 723 F CA -0.197 57.682 58.000 -0.201 0.000 1.451 723 F CB -0.126 38.635 39.000 -0.399 0.000 1.103 723 F HN 0.109 nan 8.300 nan 0.000 0.569 724 K N 1.610 121.474 120.400 -0.893 0.000 2.219 724 K HA 0.291 4.614 4.320 0.005 0.000 0.258 724 K C 0.073 176.570 176.600 -0.172 0.000 1.008 724 K CA -0.539 55.436 56.287 -0.519 0.000 0.928 724 K CB 0.973 33.118 32.500 -0.591 0.000 0.983 724 K HN 0.130 nan 8.250 nan 0.000 0.484 725 I N 2.391 122.919 120.570 -0.070 0.000 2.598 725 I HA -0.065 4.108 4.170 0.005 0.000 0.284 725 I C 0.092 176.038 176.117 -0.286 0.000 1.140 725 I CA 0.821 62.009 61.300 -0.187 0.000 1.420 725 I CB 0.148 38.024 38.000 -0.207 0.000 1.387 725 I HN 0.451 nan 8.210 nan 0.000 0.553 726 E N 6.396 126.395 120.200 -0.336 0.000 2.279 726 E HA 0.314 4.667 4.350 0.005 0.000 0.252 726 E C -1.545 174.904 176.600 -0.252 0.000 0.894 726 E CA -0.685 55.572 56.400 -0.238 0.000 0.785 726 E CB 1.551 31.173 29.700 -0.130 0.000 1.237 726 E HN 0.331 nan 8.360 nan 0.000 0.418 727 Y N 1.514 121.814 120.300 0.000 0.000 2.304 727 Y HA 0.187 4.740 4.550 0.004 0.000 0.328 727 Y C 0.652 176.551 175.900 -0.002 0.000 1.123 727 Y CA -0.577 57.524 58.100 0.001 0.000 1.218 727 Y CB 0.882 39.343 38.460 0.002 0.000 1.207 727 Y HN 0.150 nan 8.280 nan 0.000 0.495 728 K N 4.125 124.626 120.400 0.168 0.000 2.219 728 K HA 0.385 4.708 4.320 0.005 0.000 0.280 728 K C -0.567 176.080 176.600 0.077 0.000 1.104 728 K CA -0.286 56.054 56.287 0.088 0.000 0.925 728 K CB 0.036 32.572 32.500 0.059 0.000 1.261 728 K HN 0.520 nan 8.250 nan 0.000 0.445 729 V N 0.000 119.953 119.914 0.064 0.000 2.409 729 V HA 0.000 4.123 4.120 0.005 0.000 0.244 729 V CA 0.000 62.323 62.300 0.039 0.000 1.235 729 V CB 0.000 31.846 31.823 0.038 0.000 1.184 729 V HN 0.000 nan 8.190 nan 0.000 0.556