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 3nch_1_A DATA FIRST_RESID 2 DATA SEQUENCE SRDLQNHLLF ETATEVANRV GGIYSVLKSK APITVAQYKD HYHLIGPLNK DATA SEQUENCE ATYQNEVDIL DWKKPEAFSD EMRPVQHALQ TMESRGVHFV YGRWLIEGAP DATA SEQUENCE KVILFDLDSV RGYSNEWKGD LWSLVGIPSP ENDFETNDAI LLGYTVAWFL DATA SEQUENCE GEVAHLDSQH AIVAHFHEWL AGVALPLCRK RRIDVVTIFT THATLLGRYL DATA SEQUENCE CASGXXDFYN CLESVDVDHE AGRFGIYHRY CIERAAAHSA DVFTTVSQIT DATA SEQUENCE AFEAEHLLKR KPDGILPNGL NVIKFQXXXX XXXLHALKKE KINDFVRGHF DATA SEQUENCE HGCFDFDLDN TLYFFIAGRY EYKNKGADMF IEALARLNYR LKVSGSKKTV DATA SEQUENCE VAFIVMPAKN NSFTVEALKG QAEVRALENT VHEVTTSIGK RIFDHAIRYP DATA SEQUENCE XXXXXXXXXX XXXELLKSSD KVMLKRRILA LRRPEGQLPP IVTHNMVDDA DATA SEQUENCE NDLILNKIRQ VQLFNSPSDR VKMIFHPEFL NANNPILGLD YDEFVRGCHL DATA SEQUENCE GVFPSYYEPW GYTPAECTVM GVPSITTNVS GFGSYMEDLX XXXXAKDYGI DATA SEQUENCE YIVDRRFKAP DESVEQLVDY MEEFVKKTAA QAINQRNRTE RLSDLLDWKR DATA SEQUENCE MGLEYVKARQ LALRRGYPDQ FRELVGEELN DSNMDALA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.548 174.600 -0.087 0.000 1.055 2 S CA 0.000 58.151 58.200 -0.082 0.000 1.107 2 S CB 0.000 63.149 63.200 -0.086 0.000 0.593 3 R N 2.027 122.445 120.500 -0.137 0.000 2.349 3 R HA 0.542 4.881 4.340 -0.001 0.000 0.299 3 R C -1.536 174.753 176.300 -0.020 0.000 1.027 3 R CA -0.327 55.708 56.100 -0.108 0.000 0.958 3 R CB 0.757 30.921 30.300 -0.227 0.000 1.047 3 R HN 0.229 nan 8.270 nan 0.000 0.468 4 D N 3.737 124.177 120.400 0.067 0.000 2.316 4 D HA 0.068 4.707 4.640 -0.001 0.000 0.245 4 D C 0.762 177.200 176.300 0.231 0.000 1.171 4 D CA 0.023 54.102 54.000 0.132 0.000 0.856 4 D CB 1.008 41.892 40.800 0.140 0.000 1.090 4 D HN 0.460 nan 8.370 nan 0.000 0.476 5 L N 2.808 124.161 121.223 0.217 0.000 2.202 5 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 5 L C 2.141 179.185 176.870 0.289 0.000 1.083 5 L CA 0.305 55.307 54.840 0.271 0.000 0.790 5 L CB -0.241 41.979 42.059 0.268 0.000 0.942 5 L HN 0.410 nan 8.230 nan 0.000 0.452 6 Q N 1.986 121.905 119.800 0.199 0.000 2.030 6 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 6 Q C 0.837 176.947 176.000 0.184 0.000 0.986 6 Q CA 1.714 57.612 55.803 0.158 0.000 0.843 6 Q CB -0.121 28.665 28.738 0.080 0.000 0.904 6 Q HN 0.649 nan 8.270 nan 0.000 0.420 7 N N 0.131 118.943 118.700 0.186 0.000 2.706 7 N HA 0.215 4.954 4.740 -0.001 0.000 0.240 7 N C -1.020 174.656 175.510 0.277 0.000 1.039 7 N CA -0.623 52.505 53.050 0.130 0.000 0.888 7 N CB 0.476 39.000 38.487 0.061 0.000 1.128 7 N HN 0.301 nan 8.380 nan 0.000 0.512 8 H N 1.028 120.232 119.070 0.223 0.000 2.649 8 H HA 0.565 5.120 4.556 -0.001 0.000 0.337 8 H C -0.478 175.049 175.328 0.332 0.000 1.282 8 H CA -1.219 55.017 56.048 0.313 0.000 1.333 8 H CB 1.005 30.958 29.762 0.319 0.000 1.787 8 H HN 0.170 nan 8.280 nan 0.000 0.632 9 L N 0.562 122.045 121.223 0.432 0.000 2.375 9 L HA 0.389 4.729 4.340 -0.001 0.000 0.268 9 L C -0.970 176.163 176.870 0.438 0.000 1.058 9 L CA -1.244 53.809 54.840 0.356 0.000 0.803 9 L CB 1.669 43.978 42.059 0.418 0.000 1.212 9 L HN 0.483 nan 8.230 nan 0.000 0.451 10 L N 1.640 122.954 121.223 0.152 0.000 2.408 10 L HA 0.585 4.924 4.340 -0.001 0.000 0.268 10 L C -1.625 175.118 176.870 -0.211 0.000 0.986 10 L CA -0.019 54.877 54.840 0.093 0.000 0.820 10 L CB 1.762 43.706 42.059 -0.191 0.000 1.303 10 L HN 0.235 nan 8.230 nan 0.000 0.411 11 F N 3.010 123.021 119.950 0.102 0.000 2.539 11 F HA 0.498 5.024 4.527 -0.001 0.000 0.328 11 F C -0.139 175.615 175.800 -0.077 0.000 1.148 11 F CA -0.466 57.537 58.000 0.004 0.000 0.940 11 F CB 1.980 41.011 39.000 0.052 0.000 1.194 11 F HN 0.463 nan 8.300 nan 0.000 0.438 12 E N 2.050 122.256 120.200 0.010 0.000 2.176 12 E HA 0.614 4.963 4.350 -0.001 0.000 0.267 12 E C -1.290 175.286 176.600 -0.040 0.000 0.893 12 E CA -0.475 55.937 56.400 0.020 0.000 0.761 12 E CB 1.536 31.317 29.700 0.134 0.000 1.133 12 E HN 0.559 nan 8.360 nan 0.000 0.409 13 T N 2.002 116.516 114.554 -0.066 0.000 2.861 13 T HA 0.810 5.159 4.350 -0.001 0.000 0.287 13 T C -1.216 173.552 174.700 0.113 0.000 1.003 13 T CA -0.617 61.461 62.100 -0.036 0.000 0.977 13 T CB 1.582 70.367 68.868 -0.137 0.000 0.996 13 T HN 0.542 nan 8.240 nan 0.000 0.448 14 A N 1.408 124.276 122.820 0.080 0.000 2.608 14 A HA 0.642 4.961 4.320 -0.001 0.000 0.292 14 A C 0.792 178.387 177.584 0.018 0.000 1.066 14 A CA -0.762 51.330 52.037 0.092 0.000 0.676 14 A CB 0.565 19.604 19.000 0.064 0.000 1.277 14 A HN 0.622 nan 8.150 nan 0.000 0.413 15 T N 0.411 114.969 114.554 0.008 0.000 3.051 15 T HA -0.027 4.322 4.350 -0.001 0.000 0.269 15 T C 0.903 175.582 174.700 -0.034 0.000 1.127 15 T CA 2.236 64.323 62.100 -0.021 0.000 1.107 15 T CB -0.080 68.757 68.868 -0.051 0.000 0.898 15 T HN 0.651 nan 8.240 nan 0.000 0.517 16 E N 0.418 120.595 120.200 -0.038 0.000 2.498 16 E HA 0.114 4.463 4.350 -0.001 0.000 0.203 16 E C 2.106 178.639 176.600 -0.111 0.000 1.013 16 E CA -0.155 56.241 56.400 -0.008 0.000 0.927 16 E CB 0.070 29.805 29.700 0.058 0.000 1.012 16 E HN 0.401 nan 8.360 nan 0.000 0.482 17 V N -1.147 118.604 119.914 -0.272 0.000 2.287 17 V HA -0.123 3.997 4.120 -0.001 0.000 0.248 17 V C 1.622 177.002 176.094 -1.191 0.000 1.053 17 V CA 1.890 63.802 62.300 -0.647 0.000 1.027 17 V CB -0.386 31.134 31.823 -0.505 0.000 0.646 17 V HN 0.184 nan 8.190 nan 0.000 0.447 18 A N 1.301 123.706 122.820 -0.692 0.000 2.631 18 A HA 0.537 4.856 4.320 -0.001 0.000 0.294 18 A C 0.340 177.845 177.584 -0.133 0.000 1.156 18 A CA 0.043 51.686 52.037 -0.657 0.000 0.963 18 A CB -0.903 17.773 19.000 -0.540 0.000 1.202 18 A HN 0.956 nan 8.150 nan 0.000 0.523 19 N N -1.132 117.570 118.700 0.003 0.000 2.425 19 N HA 0.313 5.053 4.740 -0.001 0.000 0.289 19 N C -0.630 174.927 175.510 0.078 0.000 1.074 19 N CA -0.788 52.301 53.050 0.065 0.000 0.905 19 N CB 1.137 39.627 38.487 0.006 0.000 1.586 19 N HN 0.122 nan 8.380 nan 0.000 0.490 20 R N 2.950 123.292 120.500 -0.263 0.000 2.309 20 R HA 0.200 4.539 4.340 -0.001 0.000 0.331 20 R C -0.903 175.274 176.300 -0.205 0.000 1.116 20 R CA -0.090 55.656 56.100 -0.589 0.000 0.970 20 R CB 0.295 29.937 30.300 -1.096 0.000 1.024 20 R HN 0.635 nan 8.270 nan 0.000 0.472 21 V N 3.504 123.381 119.914 -0.061 0.000 3.330 21 V HA 0.345 4.465 4.120 -0.001 0.000 0.309 21 V C 0.513 176.617 176.094 0.016 0.000 1.481 21 V CA 0.512 62.802 62.300 -0.017 0.000 1.068 21 V CB 0.860 32.684 31.823 0.001 0.000 0.935 21 V HN 0.966 nan 8.190 nan 0.000 0.453 22 G N -0.855 107.965 108.800 0.033 0.000 2.435 22 G HA2 0.428 4.387 3.960 -0.001 0.000 0.296 22 G HA3 0.428 4.387 3.960 -0.001 0.000 0.296 22 G C 0.575 175.539 174.900 0.106 0.000 1.240 22 G CA 0.296 45.436 45.100 0.067 0.000 0.872 22 G HN 0.076 nan 8.290 nan 0.000 0.480 23 G N -0.423 108.449 108.800 0.121 0.000 2.426 23 G HA2 0.110 4.069 3.960 -0.001 0.000 0.214 23 G HA3 0.110 4.069 3.960 -0.001 0.000 0.214 23 G C 1.708 176.700 174.900 0.154 0.000 1.156 23 G CA 1.011 46.217 45.100 0.176 0.000 0.802 23 G HN 0.526 nan 8.290 nan 0.000 0.534 24 I N -0.234 120.347 120.570 0.019 0.000 2.315 24 I HA -0.239 3.930 4.170 -0.001 0.000 0.251 24 I C 2.382 178.515 176.117 0.027 0.000 1.125 24 I CA 1.104 62.334 61.300 -0.117 0.000 1.392 24 I CB -0.313 37.532 38.000 -0.258 0.000 1.065 24 I HN 0.254 nan 8.210 nan 0.000 0.424 25 Y N 1.649 121.954 120.300 0.008 0.000 2.102 25 Y HA -0.361 4.188 4.550 -0.001 0.000 0.280 25 Y C 2.708 178.694 175.900 0.143 0.000 1.178 25 Y CA 2.221 60.381 58.100 0.100 0.000 1.146 25 Y CB -0.165 38.350 38.460 0.091 0.000 0.968 25 Y HN 0.067 nan 8.280 nan 0.000 0.504 26 S N -0.874 115.000 115.700 0.290 0.000 2.406 26 S HA -0.123 4.346 4.470 -0.001 0.000 0.228 26 S C 2.000 176.661 174.600 0.101 0.000 1.020 26 S CA 1.042 59.331 58.200 0.147 0.000 0.965 26 S CB -0.366 62.855 63.200 0.034 0.000 0.798 26 S HN 0.335 nan 8.310 nan 0.000 0.488 27 V N 2.255 122.278 119.914 0.182 0.000 2.307 27 V HA -0.120 3.999 4.120 -0.001 0.000 0.245 27 V C 2.147 178.256 176.094 0.025 0.000 1.045 27 V CA 1.475 63.916 62.300 0.236 0.000 1.024 27 V CB -0.758 31.178 31.823 0.189 0.000 0.651 27 V HN 0.416 nan 8.190 nan 0.000 0.449 28 L N -0.137 121.046 121.223 -0.067 0.000 2.056 28 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 28 L C 2.618 179.409 176.870 -0.133 0.000 1.078 28 L CA 1.731 56.519 54.840 -0.086 0.000 0.749 28 L CB -0.699 41.379 42.059 0.030 0.000 0.901 28 L HN 0.299 nan 8.230 nan 0.000 0.433 29 K N 0.542 120.800 120.400 -0.236 0.000 2.026 29 K HA -0.202 4.117 4.320 -0.001 0.000 0.208 29 K C 2.334 178.706 176.600 -0.380 0.000 1.048 29 K CA 2.018 57.926 56.287 -0.631 0.000 0.929 29 K CB -0.061 32.032 32.500 -0.678 0.000 0.713 29 K HN 0.375 nan 8.250 nan 0.000 0.439 30 S N 0.071 115.689 115.700 -0.137 0.000 2.461 30 S HA -0.062 4.407 4.470 -0.001 0.000 0.228 30 S C 1.904 176.503 174.600 -0.002 0.000 1.005 30 S CA 0.805 59.032 58.200 0.044 0.000 0.942 30 S CB 0.037 63.394 63.200 0.261 0.000 0.776 30 S HN 0.287 nan 8.310 nan 0.000 0.514 31 K N 1.133 121.319 120.400 -0.356 0.000 2.243 31 K HA 0.244 4.563 4.320 -0.001 0.000 0.201 31 K C 2.304 178.501 176.600 -0.672 0.000 1.051 31 K CA 0.660 56.287 56.287 -1.100 0.000 0.970 31 K CB -0.500 31.157 32.500 -1.406 0.000 0.755 31 K HN 0.411 nan 8.250 nan 0.000 0.465 32 A N 2.236 124.796 122.820 -0.433 0.000 1.881 32 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 32 A C -0.685 176.719 177.584 -0.299 0.000 1.215 32 A CA 1.868 53.712 52.037 -0.321 0.000 0.648 32 A CB -1.772 17.063 19.000 -0.276 0.000 0.832 32 A HN 0.268 nan 8.150 nan 0.000 0.455 33 P HA -0.174 nan 4.420 nan 0.000 0.215 33 P C 1.507 178.698 177.300 -0.180 0.000 1.163 33 P CA 1.271 64.265 63.100 -0.178 0.000 0.894 33 P CB -0.119 31.505 31.700 -0.126 0.000 0.791 34 I N -0.887 119.558 120.570 -0.208 0.000 2.286 34 I HA -0.190 3.979 4.170 -0.001 0.000 0.248 34 I C 2.191 178.171 176.117 -0.228 0.000 1.115 34 I CA 2.048 63.241 61.300 -0.178 0.000 1.392 34 I CB -1.126 36.792 38.000 -0.136 0.000 1.065 34 I HN 0.041 nan 8.210 nan 0.000 0.418 35 T N -2.569 111.757 114.554 -0.379 0.000 3.014 35 T HA -0.024 4.325 4.350 -0.001 0.000 0.263 35 T C 1.922 176.413 174.700 -0.348 0.000 1.078 35 T CA 1.230 63.069 62.100 -0.434 0.000 1.135 35 T CB -0.492 67.886 68.868 -0.816 0.000 0.895 35 T HN 0.086 nan 8.240 nan 0.000 0.480 36 V N 1.984 121.727 119.914 -0.285 0.000 2.427 36 V HA 0.040 4.159 4.120 -0.001 0.000 0.248 36 V C 3.261 179.315 176.094 -0.067 0.000 1.051 36 V CA 1.518 63.751 62.300 -0.113 0.000 1.048 36 V CB -1.353 30.429 31.823 -0.068 0.000 0.666 36 V HN 0.679 nan 8.190 nan 0.000 0.456 37 A N -0.761 122.005 122.820 -0.090 0.000 1.978 37 A HA -0.320 3.999 4.320 -0.001 0.000 0.220 37 A C 2.238 179.775 177.584 -0.077 0.000 1.170 37 A CA 2.282 54.275 52.037 -0.073 0.000 0.636 37 A CB -0.416 18.541 19.000 -0.071 0.000 0.810 37 A HN 0.640 nan 8.150 nan 0.000 0.448 38 Q N -2.496 117.263 119.800 -0.068 0.000 2.204 38 Q HA -0.035 4.305 4.340 -0.001 0.000 0.198 38 Q C 1.358 177.197 176.000 -0.268 0.000 0.946 38 Q CA 1.006 56.724 55.803 -0.143 0.000 0.859 38 Q CB 0.023 28.697 28.738 -0.106 0.000 0.946 38 Q HN 0.770 nan 8.270 nan 0.000 0.474 39 Y N -0.338 119.861 120.300 -0.169 0.000 2.462 39 Y HA 0.169 4.719 4.550 -0.001 0.000 0.253 39 Y C 0.895 176.750 175.900 -0.076 0.000 1.095 39 Y CA -0.174 57.844 58.100 -0.137 0.000 1.283 39 Y CB 0.727 39.146 38.460 -0.070 0.000 1.138 39 Y HN -0.032 nan 8.280 nan 0.000 0.522 40 K N 0.142 120.586 120.400 0.072 0.000 1.699 40 K HA -0.289 4.031 4.320 -0.001 0.000 0.127 40 K C 0.174 176.829 176.600 0.090 0.000 1.157 40 K CA 2.033 58.350 56.287 0.049 0.000 0.341 40 K CB -1.353 31.158 32.500 0.017 0.000 0.645 40 K HN 0.205 nan 8.250 nan 0.000 0.848 41 D N -0.117 120.358 120.400 0.125 0.000 2.328 41 D HA 0.032 4.671 4.640 -0.001 0.000 0.226 41 D C 0.851 177.239 176.300 0.147 0.000 1.066 41 D CA 0.340 54.377 54.000 0.061 0.000 0.861 41 D CB -0.083 40.758 40.800 0.068 0.000 0.912 41 D HN 0.323 nan 8.370 nan 0.000 0.521 42 H N -0.940 118.157 119.070 0.045 0.000 2.548 42 H HA 0.028 4.583 4.556 -0.001 0.000 0.268 42 H C -0.117 175.245 175.328 0.056 0.000 0.975 42 H CA 0.252 56.342 56.048 0.071 0.000 1.195 42 H CB -0.111 29.673 29.762 0.036 0.000 1.397 42 H HN 0.159 nan 8.280 nan 0.000 0.572 43 Y N 1.025 121.300 120.300 -0.041 0.000 2.330 43 Y HA 0.401 4.950 4.550 -0.001 0.000 0.336 43 Y C -0.937 174.719 175.900 -0.406 0.000 1.036 43 Y CA -1.221 56.731 58.100 -0.247 0.000 1.125 43 Y CB 0.430 38.755 38.460 -0.225 0.000 1.194 43 Y HN 0.081 nan 8.280 nan 0.000 0.469 44 H N 4.615 123.127 119.070 -0.931 0.000 2.894 44 H HA 0.558 5.113 4.556 -0.001 0.000 0.367 44 H C -1.411 173.442 175.328 -0.792 0.000 1.144 44 H CA -0.705 54.914 56.048 -0.716 0.000 1.180 44 H CB 1.799 31.342 29.762 -0.364 0.000 1.758 44 H HN 0.678 nan 8.280 nan 0.000 0.541 45 L N 2.995 123.938 121.223 -0.466 0.000 2.331 45 L HA 0.574 4.914 4.340 -0.001 0.000 0.275 45 L C -0.691 176.056 176.870 -0.205 0.000 1.022 45 L CA -0.467 54.178 54.840 -0.325 0.000 0.812 45 L CB 1.326 43.226 42.059 -0.264 0.000 1.257 45 L HN 0.457 nan 8.230 nan 0.000 0.435 46 I N 1.075 121.557 120.570 -0.147 0.000 2.647 46 I HA 0.806 4.975 4.170 -0.001 0.000 0.295 46 I C 0.102 176.161 176.117 -0.097 0.000 1.078 46 I CA -0.267 60.950 61.300 -0.137 0.000 1.048 46 I CB 2.165 40.140 38.000 -0.041 0.000 1.239 46 I HN 0.655 nan 8.210 nan 0.000 0.421 47 G N 4.626 113.365 108.800 -0.102 0.000 2.606 47 G HA2 0.603 4.562 3.960 -0.001 0.000 0.300 47 G HA3 0.603 4.562 3.960 -0.001 0.000 0.300 47 G C -3.304 171.587 174.900 -0.014 0.000 1.360 47 G CA -1.008 44.058 45.100 -0.057 0.000 0.783 47 G HN 0.241 nan 8.290 nan 0.000 0.484 48 P HA 0.355 nan 4.420 nan 0.000 0.287 48 P C -0.128 177.155 177.300 -0.028 0.000 1.307 48 P CA -0.562 62.557 63.100 0.032 0.000 0.777 48 P CB 1.304 33.028 31.700 0.039 0.000 0.883 49 L N 3.756 124.948 121.223 -0.051 0.000 2.654 49 L HA 0.088 4.427 4.340 -0.001 0.000 0.271 49 L C 0.299 177.115 176.870 -0.090 0.000 1.169 49 L CA 0.488 55.249 54.840 -0.131 0.000 0.947 49 L CB -0.752 41.174 42.059 -0.222 0.000 1.232 49 L HN 0.280 nan 8.230 nan 0.000 0.486 50 N N 4.523 123.199 118.700 -0.040 0.000 2.437 50 N HA 0.113 4.852 4.740 -0.001 0.000 0.243 50 N C 0.523 176.099 175.510 0.110 0.000 1.041 50 N CA -0.049 53.016 53.050 0.025 0.000 0.940 50 N CB 0.813 39.322 38.487 0.037 0.000 1.133 50 N HN 0.666 nan 8.380 nan 0.000 0.506 51 K N 2.230 122.678 120.400 0.080 0.000 2.280 51 K HA -0.054 4.265 4.320 -0.001 0.000 0.202 51 K C 1.409 178.166 176.600 0.261 0.000 1.047 51 K CA 1.244 57.645 56.287 0.190 0.000 0.942 51 K CB 0.128 32.680 32.500 0.087 0.000 0.739 51 K HN 0.610 nan 8.250 nan 0.000 0.457 52 A N 0.849 123.754 122.820 0.142 0.000 2.066 52 A HA -0.093 4.227 4.320 -0.001 0.000 0.218 52 A C 2.017 179.637 177.584 0.060 0.000 1.157 52 A CA 1.795 53.881 52.037 0.083 0.000 0.670 52 A CB -0.262 18.765 19.000 0.044 0.000 0.804 52 A HN 0.428 nan 8.150 nan 0.000 0.453 53 T N -4.916 109.696 114.554 0.098 0.000 2.966 53 T HA 0.023 4.373 4.350 -0.001 0.000 0.254 53 T C 1.650 176.363 174.700 0.022 0.000 0.961 53 T CA 0.587 62.709 62.100 0.037 0.000 0.915 53 T CB -0.787 68.099 68.868 0.030 0.000 1.186 53 T HN 0.574 nan 8.240 nan 0.000 0.505 54 Y N 1.896 122.184 120.300 -0.020 0.000 2.256 54 Y HA 0.012 4.561 4.550 -0.001 0.000 0.288 54 Y C 2.248 178.142 175.900 -0.010 0.000 1.155 54 Y CA 1.265 59.347 58.100 -0.029 0.000 1.203 54 Y CB -0.639 37.794 38.460 -0.045 0.000 0.980 54 Y HN 0.197 nan 8.280 nan 0.000 0.530 55 Q N 0.405 119.647 119.800 -0.931 0.000 2.364 55 Q HA -0.106 4.234 4.340 -0.001 0.000 0.207 55 Q C 1.253 177.092 176.000 -0.269 0.000 0.970 55 Q CA 1.005 56.398 55.803 -0.684 0.000 0.888 55 Q CB -0.069 28.268 28.738 -0.668 0.000 0.951 55 Q HN 0.566 nan 8.270 nan 0.000 0.469 56 N N -0.231 118.368 118.700 -0.169 0.000 2.422 56 N HA -0.037 4.702 4.740 -0.001 0.000 0.181 56 N C 0.711 176.222 175.510 0.003 0.000 1.080 56 N CA 0.682 53.691 53.050 -0.068 0.000 0.893 56 N CB 0.514 38.975 38.487 -0.044 0.000 0.973 56 N HN 0.284 nan 8.380 nan 0.000 0.456 57 E N -0.175 120.046 120.200 0.036 0.000 2.508 57 E HA 0.169 4.518 4.350 -0.001 0.000 0.217 57 E C -0.370 176.343 176.600 0.189 0.000 0.896 57 E CA 0.165 56.665 56.400 0.166 0.000 1.118 57 E CB 1.668 31.503 29.700 0.225 0.000 1.133 57 E HN -0.067 nan 8.360 nan 0.000 0.526 58 V N 2.073 122.036 119.914 0.082 0.000 2.540 58 V HA 0.199 4.318 4.120 -0.001 0.000 0.302 58 V C -0.506 175.611 176.094 0.039 0.000 1.035 58 V CA -0.949 61.400 62.300 0.081 0.000 0.873 58 V CB 1.985 33.864 31.823 0.093 0.000 0.992 58 V HN -0.066 nan 8.190 nan 0.000 0.428 59 D N 4.235 124.655 120.400 0.034 0.000 2.435 59 D HA 0.192 4.832 4.640 -0.001 0.000 0.230 59 D C 0.086 176.400 176.300 0.024 0.000 1.215 59 D CA -0.155 53.854 54.000 0.014 0.000 0.947 59 D CB 0.654 41.454 40.800 -0.000 0.000 1.048 59 D HN 0.630 nan 8.370 nan 0.000 0.512 60 I N 3.525 124.124 120.570 0.049 0.000 2.517 60 I HA 0.166 4.335 4.170 -0.001 0.000 0.285 60 I C -0.900 175.276 176.117 0.098 0.000 1.106 60 I CA -0.247 61.108 61.300 0.091 0.000 1.402 60 I CB 0.289 38.370 38.000 0.136 0.000 1.399 60 I HN 0.178 nan 8.210 nan 0.000 0.535 61 L N 6.122 127.437 121.223 0.153 0.000 2.358 61 L HA 0.426 4.765 4.340 -0.001 0.000 0.268 61 L C -0.465 176.558 176.870 0.254 0.000 1.032 61 L CA -0.807 54.147 54.840 0.190 0.000 0.805 61 L CB 1.378 43.575 42.059 0.230 0.000 1.253 61 L HN 0.602 nan 8.230 nan 0.000 0.452 62 D N 0.399 120.885 120.400 0.144 0.000 2.359 62 D HA 0.130 4.769 4.640 -0.001 0.000 0.230 62 D C 0.484 176.805 176.300 0.034 0.000 1.118 62 D CA -0.429 53.574 54.000 0.005 0.000 0.844 62 D CB 0.681 41.429 40.800 -0.086 0.000 1.059 62 D HN 0.379 nan 8.370 nan 0.000 0.493 63 W N 3.447 124.800 121.300 0.089 0.000 3.197 63 W HA 0.200 4.860 4.660 -0.001 0.000 0.274 63 W C 0.744 177.334 176.519 0.118 0.000 1.297 63 W CA -0.371 57.012 57.345 0.063 0.000 1.662 63 W CB -0.249 29.193 29.460 -0.031 0.000 1.106 63 W HN 0.286 nan 8.180 nan 0.000 0.663 64 K N 1.714 121.804 120.400 -0.517 0.000 2.076 64 K HA -0.024 4.295 4.320 -0.001 0.000 0.204 64 K C 0.954 177.469 176.600 -0.142 0.000 1.051 64 K CA 0.707 56.739 56.287 -0.425 0.000 0.949 64 K CB -0.148 31.948 32.500 -0.674 0.000 0.726 64 K HN -0.120 nan 8.250 nan 0.000 0.443 65 K N 1.309 121.637 120.400 -0.119 0.000 2.569 65 K HA -0.096 4.223 4.320 -0.001 0.000 0.280 65 K C -2.094 174.523 176.600 0.028 0.000 0.984 65 K CA -0.621 55.642 56.287 -0.040 0.000 1.064 65 K CB 0.172 32.655 32.500 -0.029 0.000 0.866 65 K HN -0.084 nan 8.250 nan 0.000 0.492 66 P HA -0.148 nan 4.420 nan 0.000 0.220 66 P C 0.277 177.627 177.300 0.083 0.000 1.148 66 P CA 1.186 64.321 63.100 0.058 0.000 0.803 66 P CB 0.282 32.004 31.700 0.037 0.000 0.782 67 E N -0.265 119.969 120.200 0.057 0.000 2.204 67 E HA -0.088 4.261 4.350 -0.001 0.000 0.194 67 E C 2.071 178.703 176.600 0.053 0.000 0.989 67 E CA 1.048 57.479 56.400 0.052 0.000 0.824 67 E CB -1.067 28.650 29.700 0.029 0.000 0.756 67 E HN 0.111 nan 8.360 nan 0.000 0.477 68 A N 0.845 123.697 122.820 0.054 0.000 1.882 68 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 68 A C 0.724 178.195 177.584 -0.188 0.000 1.253 68 A CA 1.462 53.474 52.037 -0.042 0.000 0.664 68 A CB -0.769 18.252 19.000 0.034 0.000 0.838 68 A HN 0.223 nan 8.150 nan 0.000 0.460 69 F N -1.056 118.945 119.950 0.085 0.000 2.497 69 F HA 0.484 5.010 4.527 -0.001 0.000 0.331 69 F C 1.189 177.035 175.800 0.077 0.000 1.060 69 F CA -0.212 57.844 58.000 0.093 0.000 0.989 69 F CB 1.233 40.277 39.000 0.074 0.000 1.245 69 F HN 0.268 nan 8.300 nan 0.000 0.486 70 S N -0.322 115.544 115.700 0.277 0.000 2.617 70 S HA 0.096 4.565 4.470 -0.001 0.000 0.259 70 S C 0.565 175.275 174.600 0.183 0.000 1.301 70 S CA -0.572 57.742 58.200 0.190 0.000 0.984 70 S CB 0.729 64.031 63.200 0.171 0.000 0.954 70 S HN 0.612 nan 8.310 nan 0.000 0.572 71 D N 0.556 121.039 120.400 0.139 0.000 2.084 71 D HA -0.113 4.527 4.640 -0.001 0.000 0.196 71 D C 1.843 178.219 176.300 0.127 0.000 0.985 71 D CA 1.620 55.692 54.000 0.119 0.000 0.826 71 D CB -0.689 40.167 40.800 0.094 0.000 0.978 71 D HN 0.871 nan 8.370 nan 0.000 0.456 72 E N -0.191 120.095 120.200 0.144 0.000 2.164 72 E HA -0.226 4.123 4.350 -0.001 0.000 0.206 72 E C 1.539 178.265 176.600 0.210 0.000 1.032 72 E CA 1.324 57.836 56.400 0.187 0.000 0.832 72 E CB 0.066 29.910 29.700 0.240 0.000 0.742 72 E HN 0.123 nan 8.360 nan 0.000 0.460 73 M N -0.053 119.647 119.600 0.167 0.000 2.495 73 M HA 0.085 4.564 4.480 -0.001 0.000 0.237 73 M C 1.456 177.780 176.300 0.040 0.000 1.131 73 M CA 0.231 55.619 55.300 0.146 0.000 1.032 73 M CB 0.024 32.763 32.600 0.231 0.000 1.513 73 M HN 0.071 nan 8.290 nan 0.000 0.488 74 R N 0.722 121.249 120.500 0.045 0.000 2.178 74 R HA -0.189 4.150 4.340 -0.001 0.000 0.257 74 R C -0.761 175.518 176.300 -0.035 0.000 1.163 74 R CA 1.701 57.784 56.100 -0.029 0.000 0.981 74 R CB -2.197 28.171 30.300 0.112 0.000 0.878 74 R HN 0.289 nan 8.270 nan 0.000 0.454 75 P HA -0.120 nan 4.420 nan 0.000 0.216 75 P C 1.617 178.861 177.300 -0.092 0.000 1.153 75 P CA 1.082 64.193 63.100 0.019 0.000 0.858 75 P CB -0.070 31.641 31.700 0.019 0.000 0.789 76 V N -0.567 119.233 119.914 -0.190 0.000 2.358 76 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 76 V C 2.688 178.518 176.094 -0.441 0.000 1.047 76 V CA 1.761 63.910 62.300 -0.252 0.000 1.035 76 V CB -1.221 30.521 31.823 -0.136 0.000 0.658 76 V HN 0.158 nan 8.190 nan 0.000 0.452 77 Q N -0.241 119.052 119.800 -0.845 0.000 2.002 77 Q HA -0.273 4.066 4.340 -0.001 0.000 0.204 77 Q C 2.263 178.113 176.000 -0.251 0.000 0.988 77 Q CA 2.479 57.873 55.803 -0.683 0.000 0.843 77 Q CB -0.199 28.093 28.738 -0.743 0.000 0.908 77 Q HN 0.778 nan 8.270 nan 0.000 0.420 78 H N -0.585 118.407 119.070 -0.130 0.000 2.352 78 H HA -0.137 4.418 4.556 -0.001 0.000 0.299 78 H C 1.940 177.243 175.328 -0.042 0.000 1.097 78 H CA 1.401 57.429 56.048 -0.033 0.000 1.311 78 H CB -0.139 29.603 29.762 -0.033 0.000 1.377 78 H HN 0.454 nan 8.280 nan 0.000 0.504 79 A N 0.690 123.510 122.820 0.001 0.000 1.908 79 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 79 A C 2.332 179.876 177.584 -0.067 0.000 1.181 79 A CA 1.496 53.476 52.037 -0.094 0.000 0.627 79 A CB -0.773 18.053 19.000 -0.290 0.000 0.818 79 A HN 0.335 nan 8.150 nan 0.000 0.445 80 L N -1.188 119.981 121.223 -0.090 0.000 2.056 80 L HA -0.204 4.135 4.340 -0.001 0.000 0.207 80 L C 2.943 179.767 176.870 -0.078 0.000 1.078 80 L CA 1.203 55.881 54.840 -0.269 0.000 0.749 80 L CB -0.508 41.256 42.059 -0.492 0.000 0.901 80 L HN 0.394 nan 8.230 nan 0.000 0.433 81 Q N -0.029 119.850 119.800 0.132 0.000 1.998 81 Q HA -0.240 4.099 4.340 -0.001 0.000 0.209 81 Q C 2.215 178.322 176.000 0.180 0.000 1.002 81 Q CA 2.629 58.605 55.803 0.287 0.000 0.858 81 Q CB -0.761 28.144 28.738 0.279 0.000 0.932 81 Q HN 0.461 nan 8.270 nan 0.000 0.416 82 T N 1.489 116.111 114.554 0.113 0.000 2.680 82 T HA -0.224 4.125 4.350 -0.001 0.000 0.268 82 T C 1.854 176.555 174.700 0.002 0.000 1.033 82 T CA 1.864 64.011 62.100 0.078 0.000 1.152 82 T CB -0.170 68.736 68.868 0.063 0.000 0.859 82 T HN 0.225 nan 8.240 nan 0.000 0.452 83 M N 1.007 120.547 119.600 -0.100 0.000 2.117 83 M HA -0.092 4.387 4.480 -0.001 0.000 0.262 83 M C 2.440 178.701 176.300 -0.066 0.000 1.065 83 M CA 1.676 56.809 55.300 -0.278 0.000 1.114 83 M CB -1.008 31.394 32.600 -0.330 0.000 1.361 83 M HN 0.529 nan 8.290 nan 0.000 0.408 84 E N -0.217 120.089 120.200 0.177 0.000 2.299 84 E HA -0.033 4.317 4.350 -0.001 0.000 0.193 84 E C 1.729 178.418 176.600 0.149 0.000 0.998 84 E CA 0.920 57.461 56.400 0.234 0.000 0.851 84 E CB 0.060 29.989 29.700 0.381 0.000 0.795 84 E HN 0.241 nan 8.360 nan 0.000 0.492 85 S N 1.090 116.875 115.700 0.142 0.000 2.359 85 S HA -0.128 4.341 4.470 -0.001 0.000 0.223 85 S C 1.707 176.369 174.600 0.104 0.000 1.039 85 S CA 1.361 59.635 58.200 0.123 0.000 1.042 85 S CB -0.244 63.032 63.200 0.127 0.000 0.915 85 S HN 0.324 nan 8.310 nan 0.000 0.439 86 R N 0.702 121.257 120.500 0.091 0.000 2.328 86 R HA 0.136 4.476 4.340 -0.001 0.000 0.200 86 R C 1.394 177.746 176.300 0.086 0.000 0.983 86 R CA 0.693 56.884 56.100 0.152 0.000 1.062 86 R CB -0.503 29.986 30.300 0.316 0.000 0.956 86 R HN 0.592 nan 8.270 nan 0.000 0.479 87 G N 0.336 109.128 108.800 -0.014 0.000 2.157 87 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.239 87 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.239 87 G C 0.110 174.826 174.900 -0.308 0.000 0.982 87 G CA -0.064 44.954 45.100 -0.136 0.000 0.650 87 G HN 0.162 nan 8.290 nan 0.000 0.527 88 V N 3.836 123.622 119.914 -0.213 0.000 2.356 88 V HA 0.351 4.471 4.120 -0.001 0.000 0.258 88 V C 0.744 176.883 176.094 0.074 0.000 1.065 88 V CA -0.941 61.268 62.300 -0.151 0.000 0.935 88 V CB 0.353 32.011 31.823 -0.274 0.000 1.061 88 V HN 0.319 nan 8.190 nan 0.000 0.484 89 H N 5.382 124.544 119.070 0.154 0.000 2.615 89 H HA 0.601 5.157 4.556 -0.001 0.000 0.363 89 H C -0.093 175.386 175.328 0.252 0.000 1.148 89 H CA -0.173 55.940 56.048 0.108 0.000 1.401 89 H CB 1.153 30.926 29.762 0.018 0.000 1.461 89 H HN 0.637 nan 8.280 nan 0.000 0.588 90 F N -2.067 117.928 119.950 0.076 0.000 2.817 90 F HA 0.539 5.065 4.527 -0.001 0.000 0.317 90 F C -1.726 174.000 175.800 -0.124 0.000 1.168 90 F CA -1.147 56.780 58.000 -0.123 0.000 0.911 90 F CB 0.628 39.416 39.000 -0.353 0.000 1.337 90 F HN 0.155 nan 8.300 nan 0.000 0.464 91 V N 1.572 121.489 119.914 0.005 0.000 2.495 91 V HA 0.421 4.540 4.120 -0.001 0.000 0.298 91 V C -1.575 174.598 176.094 0.131 0.000 1.031 91 V CA -0.697 61.615 62.300 0.020 0.000 0.871 91 V CB 1.700 33.489 31.823 -0.057 0.000 0.988 91 V HN 0.768 nan 8.190 nan 0.000 0.432 92 Y N 3.158 123.517 120.300 0.097 0.000 2.393 92 Y HA 0.854 5.403 4.550 -0.001 0.000 0.341 92 Y C 0.288 176.256 175.900 0.114 0.000 0.988 92 Y CA 0.204 58.365 58.100 0.102 0.000 1.078 92 Y CB 1.889 40.477 38.460 0.212 0.000 1.203 92 Y HN 0.813 nan 8.280 nan 0.000 0.453 93 G N 4.545 113.073 108.800 -0.453 0.000 2.428 93 G HA2 0.309 4.268 3.960 -0.001 0.000 0.304 93 G HA3 0.309 4.268 3.960 -0.001 0.000 0.304 93 G C -1.927 172.797 174.900 -0.294 0.000 1.303 93 G CA -1.306 43.639 45.100 -0.259 0.000 0.825 93 G HN 0.571 nan 8.290 nan 0.000 0.484 94 R N -0.377 120.046 120.500 -0.128 0.000 2.255 94 R HA 0.284 4.623 4.340 -0.001 0.000 0.326 94 R C -0.901 175.436 176.300 0.061 0.000 0.986 94 R CA -0.726 55.334 56.100 -0.067 0.000 0.847 94 R CB 1.152 31.419 30.300 -0.055 0.000 1.111 94 R HN 0.507 nan 8.270 nan 0.000 0.452 95 W N 6.701 127.915 121.300 -0.144 0.000 2.529 95 W HA 0.056 4.715 4.660 -0.001 0.000 0.319 95 W C -0.483 175.978 176.519 -0.096 0.000 1.362 95 W CA -0.756 56.522 57.345 -0.113 0.000 1.348 95 W CB 0.211 29.589 29.460 -0.137 0.000 1.403 95 W HN 0.544 nan 8.180 nan 0.000 0.519 96 L N 9.930 131.250 121.223 0.162 0.000 2.544 96 L HA 0.054 4.393 4.340 -0.001 0.000 0.240 96 L C 0.559 177.318 176.870 -0.186 0.000 1.421 96 L CA 0.113 54.941 54.840 -0.020 0.000 1.206 96 L CB -1.425 40.649 42.059 0.025 0.000 1.463 96 L HN 0.360 nan 8.230 nan 0.000 0.437 97 I N -3.705 116.641 120.570 -0.374 0.000 3.322 97 I HA 0.476 4.645 4.170 -0.001 0.000 0.313 97 I C -0.049 175.864 176.117 -0.340 0.000 1.129 97 I CA -1.122 59.894 61.300 -0.474 0.000 0.963 97 I CB 1.679 39.120 38.000 -0.930 0.000 1.273 97 I HN -0.016 nan 8.210 nan 0.000 0.473 98 E N 0.735 120.754 120.200 -0.302 0.000 2.417 98 E HA 0.336 4.685 4.350 -0.001 0.000 0.261 98 E C 0.826 177.294 176.600 -0.218 0.000 1.000 98 E CA 1.223 57.495 56.400 -0.214 0.000 0.919 98 E CB 0.376 29.972 29.700 -0.173 0.000 0.955 98 E HN 0.977 nan 8.360 nan 0.000 0.455 99 G N 3.502 112.206 108.800 -0.162 0.000 2.308 99 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.221 99 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.221 99 G C 0.582 175.410 174.900 -0.119 0.000 1.032 99 G CA 0.076 45.092 45.100 -0.140 0.000 0.623 99 G HN 1.649 nan 8.290 nan 0.000 0.506 100 A N 0.204 122.936 122.820 -0.147 0.000 2.466 100 A HA 0.124 4.443 4.320 -0.001 0.000 0.295 100 A C -0.703 176.840 177.584 -0.067 0.000 1.465 100 A CA 1.537 53.512 52.037 -0.104 0.000 0.744 100 A CB -1.547 17.402 19.000 -0.086 0.000 1.098 100 A HN 1.324 nan 8.150 nan 0.000 0.402 101 P HA 0.284 nan 4.420 nan 0.000 0.272 101 P C 0.036 177.276 177.300 -0.099 0.000 1.230 101 P CA 0.038 63.134 63.100 -0.007 0.000 0.788 101 P CB 0.634 32.412 31.700 0.131 0.000 0.949 102 K N 0.254 120.504 120.400 -0.249 0.000 2.185 102 K HA 0.421 4.741 4.320 -0.001 0.000 0.271 102 K C -0.032 176.373 176.600 -0.326 0.000 1.013 102 K CA -0.633 55.438 56.287 -0.360 0.000 0.943 102 K CB 0.810 33.019 32.500 -0.485 0.000 0.998 102 K HN 0.352 nan 8.250 nan 0.000 0.468 103 V N -0.228 119.472 119.914 -0.356 0.000 3.040 103 V HA 0.642 4.761 4.120 -0.001 0.000 0.312 103 V C -0.818 175.096 176.094 -0.300 0.000 1.115 103 V CA -0.959 61.172 62.300 -0.283 0.000 0.998 103 V CB 1.740 33.409 31.823 -0.256 0.000 1.042 103 V HN 0.635 nan 8.190 nan 0.000 0.433 104 I N 3.570 123.964 120.570 -0.294 0.000 2.439 104 I HA 0.439 4.608 4.170 -0.001 0.000 0.283 104 I C -0.980 174.802 176.117 -0.560 0.000 1.023 104 I CA -0.322 60.726 61.300 -0.420 0.000 1.100 104 I CB 1.779 39.405 38.000 -0.623 0.000 1.238 104 I HN 0.465 nan 8.210 nan 0.000 0.445 105 L N 6.447 127.407 121.223 -0.438 0.000 2.277 105 L HA 0.460 4.799 4.340 -0.001 0.000 0.284 105 L C -0.731 175.956 176.870 -0.304 0.000 1.028 105 L CA -0.550 54.086 54.840 -0.340 0.000 0.835 105 L CB 0.636 42.559 42.059 -0.227 0.000 1.215 105 L HN 0.375 nan 8.230 nan 0.000 0.425 106 F N 1.448 121.348 119.950 -0.083 0.000 2.467 106 F HA 0.082 4.608 4.527 -0.001 0.000 0.362 106 F C 0.983 176.775 175.800 -0.013 0.000 1.090 106 F CA -0.399 57.577 58.000 -0.041 0.000 1.202 106 F CB 0.415 39.368 39.000 -0.078 0.000 1.113 106 F HN 0.391 nan 8.300 nan 0.000 0.541 107 D N 4.735 125.269 120.400 0.224 0.000 2.383 107 D HA 0.089 4.728 4.640 -0.001 0.000 0.245 107 D C 1.225 177.611 176.300 0.143 0.000 1.263 107 D CA 0.220 54.298 54.000 0.129 0.000 0.936 107 D CB 0.459 41.329 40.800 0.116 0.000 1.053 107 D HN 0.499 nan 8.370 nan 0.000 0.507 108 L N 2.505 123.803 121.223 0.124 0.000 2.187 108 L HA -0.158 4.181 4.340 -0.001 0.000 0.213 108 L C 1.454 178.392 176.870 0.113 0.000 1.100 108 L CA 0.851 55.769 54.840 0.130 0.000 0.765 108 L CB -0.178 41.956 42.059 0.126 0.000 0.904 108 L HN 0.370 nan 8.230 nan 0.000 0.437 109 D N -0.140 120.317 120.400 0.095 0.000 2.178 109 D HA -0.147 4.492 4.640 -0.001 0.000 0.201 109 D C 2.220 178.575 176.300 0.092 0.000 0.980 109 D CA 1.683 55.735 54.000 0.087 0.000 0.842 109 D CB 0.044 40.889 40.800 0.075 0.000 0.948 109 D HN 0.329 nan 8.370 nan 0.000 0.472 110 S N -0.473 115.289 115.700 0.103 0.000 2.660 110 S HA 0.062 4.531 4.470 -0.001 0.000 0.223 110 S C 1.148 175.754 174.600 0.009 0.000 0.963 110 S CA 0.005 58.249 58.200 0.074 0.000 0.932 110 S CB 0.336 63.595 63.200 0.098 0.000 0.775 110 S HN 0.015 nan 8.310 nan 0.000 0.531 111 V N 0.230 120.167 119.914 0.038 0.000 3.544 111 V HA 0.360 4.479 4.120 -0.001 0.000 0.298 111 V C 1.586 177.705 176.094 0.042 0.000 1.580 111 V CA -0.250 62.040 62.300 -0.016 0.000 1.122 111 V CB -0.001 31.826 31.823 0.007 0.000 0.951 111 V HN 0.396 nan 8.190 nan 0.000 0.448 112 R N 1.131 121.678 120.500 0.078 0.000 2.328 112 R HA -0.032 4.307 4.340 -0.001 0.000 0.207 112 R C 2.033 178.363 176.300 0.052 0.000 1.056 112 R CA 1.311 57.461 56.100 0.083 0.000 1.016 112 R CB -0.079 30.273 30.300 0.086 0.000 0.872 112 R HN 0.566 nan 8.270 nan 0.000 0.471 113 G N -0.176 108.666 108.800 0.069 0.000 2.414 113 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.215 113 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.215 113 G C 0.555 175.408 174.900 -0.079 0.000 1.188 113 G CA 0.287 45.404 45.100 0.027 0.000 0.783 113 G HN 0.342 nan 8.290 nan 0.000 0.537 114 Y N 1.779 121.821 120.300 -0.431 0.000 2.749 114 Y HA 0.074 4.623 4.550 -0.001 0.000 0.321 114 Y C 2.697 178.179 175.900 -0.696 0.000 1.195 114 Y CA -0.014 57.590 58.100 -0.827 0.000 1.338 114 Y CB -0.785 36.691 38.460 -1.640 0.000 1.017 114 Y HN 0.231 nan 8.280 nan 0.000 0.517 115 S N 0.809 116.417 115.700 -0.152 0.000 2.398 115 S HA -0.247 4.223 4.470 -0.001 0.000 0.220 115 S C 2.161 176.761 174.600 0.001 0.000 1.038 115 S CA 1.964 60.168 58.200 0.008 0.000 1.080 115 S CB -0.214 63.015 63.200 0.049 0.000 1.039 115 S HN 0.530 nan 8.310 nan 0.000 0.419 116 N N 1.397 120.071 118.700 -0.044 0.000 2.069 116 N HA -0.139 4.600 4.740 -0.001 0.000 0.191 116 N C 1.780 177.257 175.510 -0.054 0.000 1.031 116 N CA 1.492 54.520 53.050 -0.037 0.000 0.852 116 N CB -0.838 37.617 38.487 -0.053 0.000 1.018 116 N HN 0.724 nan 8.380 nan 0.000 0.423 117 E N -0.856 119.253 120.200 -0.152 0.000 2.233 117 E HA -0.209 4.140 4.350 -0.001 0.000 0.199 117 E C 1.040 177.630 176.600 -0.016 0.000 1.004 117 E CA 1.065 57.372 56.400 -0.155 0.000 0.819 117 E CB -0.011 29.491 29.700 -0.330 0.000 0.738 117 E HN 0.397 nan 8.360 nan 0.000 0.478 118 W N 0.436 121.612 121.300 -0.207 0.000 2.644 118 W HA 0.169 4.828 4.660 -0.001 0.000 0.279 118 W C 2.113 178.532 176.519 -0.167 0.000 1.164 118 W CA 0.299 57.384 57.345 -0.434 0.000 1.457 118 W CB -0.578 28.505 29.460 -0.629 0.000 1.087 118 W HN -0.010 nan 8.180 nan 0.000 0.573 119 K N -0.101 120.428 120.400 0.215 0.000 2.173 119 K HA -0.160 4.159 4.320 -0.001 0.000 0.207 119 K C 2.160 178.873 176.600 0.189 0.000 1.046 119 K CA 1.731 58.141 56.287 0.204 0.000 0.929 119 K CB -0.734 31.845 32.500 0.132 0.000 0.720 119 K HN 0.167 nan 8.250 nan 0.000 0.453 120 G N 1.132 110.019 108.800 0.144 0.000 2.404 120 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.213 120 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.213 120 G C 1.212 176.231 174.900 0.198 0.000 1.189 120 G CA 0.636 45.831 45.100 0.158 0.000 0.796 120 G HN 0.316 nan 8.290 nan 0.000 0.532 121 D N 0.362 120.847 120.400 0.143 0.000 2.228 121 D HA -0.120 4.519 4.640 -0.001 0.000 0.203 121 D C 2.243 178.665 176.300 0.203 0.000 0.988 121 D CA 0.484 54.566 54.000 0.137 0.000 0.864 121 D CB -0.086 40.765 40.800 0.085 0.000 0.928 121 D HN 0.211 nan 8.370 nan 0.000 0.469 122 L N 0.392 121.787 121.223 0.287 0.000 1.961 122 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 122 L C 2.445 179.433 176.870 0.197 0.000 1.072 122 L CA 1.604 56.605 54.840 0.269 0.000 0.749 122 L CB -1.111 41.136 42.059 0.315 0.000 0.889 122 L HN 0.383 nan 8.230 nan 0.000 0.432 123 W N 1.291 122.625 121.300 0.057 0.000 2.318 123 W HA -0.262 4.397 4.660 -0.001 0.000 0.313 123 W C 2.167 178.695 176.519 0.015 0.000 1.221 123 W CA 1.955 59.317 57.345 0.028 0.000 1.266 123 W CB -0.385 29.093 29.460 0.031 0.000 1.150 123 W HN 0.367 nan 8.180 nan 0.000 0.496 124 S N 0.545 116.285 115.700 0.066 0.000 2.727 124 S HA -0.018 4.452 4.470 -0.001 0.000 0.226 124 S C 1.114 175.657 174.600 -0.096 0.000 0.963 124 S CA 0.743 58.908 58.200 -0.060 0.000 0.950 124 S CB -0.248 62.984 63.200 0.054 0.000 0.779 124 S HN 0.323 nan 8.310 nan 0.000 0.532 125 L N -0.612 120.546 121.223 -0.108 0.000 3.154 125 L HA 0.355 4.694 4.340 -0.001 0.000 0.280 125 L C 0.535 177.314 176.870 -0.152 0.000 1.134 125 L CA 0.290 55.066 54.840 -0.107 0.000 1.037 125 L CB 1.155 43.182 42.059 -0.052 0.000 1.571 125 L HN 0.193 nan 8.230 nan 0.000 0.576 126 V N -1.512 118.298 119.914 -0.174 0.000 3.544 126 V HA 0.419 4.539 4.120 -0.001 0.000 0.298 126 V C 1.082 177.036 176.094 -0.234 0.000 1.580 126 V CA 0.055 62.241 62.300 -0.190 0.000 1.122 126 V CB 0.382 32.113 31.823 -0.153 0.000 0.951 126 V HN 0.210 nan 8.190 nan 0.000 0.448 127 G N 2.088 110.656 108.800 -0.387 0.000 2.356 127 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.296 127 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.296 127 G C -0.028 174.873 174.900 0.001 0.000 1.022 127 G CA 0.699 45.392 45.100 -0.677 0.000 0.961 127 G HN 0.609 nan 8.290 nan 0.000 0.510 128 I N 1.138 121.832 120.570 0.207 0.000 2.301 128 I HA 0.250 4.419 4.170 -0.001 0.000 0.292 128 I C -1.683 174.686 176.117 0.420 0.000 1.046 128 I CA -2.336 59.119 61.300 0.258 0.000 1.282 128 I CB 1.233 39.290 38.000 0.095 0.000 1.409 128 I HN -0.080 nan 8.210 nan 0.000 0.484 129 P HA 0.074 nan 4.420 nan 0.000 0.271 129 P C -0.521 176.824 177.300 0.076 0.000 1.233 129 P CA -0.287 62.878 63.100 0.108 0.000 0.789 129 P CB 0.584 32.327 31.700 0.071 0.000 0.951 130 S N -0.894 114.787 115.700 -0.032 0.000 2.359 130 S HA 0.386 4.855 4.470 -0.001 0.000 0.148 130 S C -2.775 171.756 174.600 -0.114 0.000 1.610 130 S CA -1.354 56.839 58.200 -0.012 0.000 1.274 130 S CB -0.476 62.768 63.200 0.073 0.000 1.380 130 S HN 0.161 nan 8.310 nan 0.000 0.380 131 P HA 0.092 nan 4.420 nan 0.000 0.267 131 P C 0.770 177.972 177.300 -0.165 0.000 1.200 131 P CA -0.062 62.896 63.100 -0.236 0.000 0.772 131 P CB 0.507 32.003 31.700 -0.340 0.000 0.855 132 E N 1.421 121.547 120.200 -0.123 0.000 2.371 132 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 132 E C 0.691 177.190 176.600 -0.168 0.000 1.012 132 E CA 0.688 57.040 56.400 -0.079 0.000 0.860 132 E CB -0.663 29.024 29.700 -0.022 0.000 0.811 132 E HN 0.548 nan 8.360 nan 0.000 0.502 133 N N 1.103 119.657 118.700 -0.243 0.000 2.521 133 N HA -0.103 4.637 4.740 -0.001 0.000 0.188 133 N C 0.119 175.102 175.510 -0.878 0.000 1.146 133 N CA 0.308 53.088 53.050 -0.449 0.000 0.893 133 N CB 0.195 38.568 38.487 -0.191 0.000 0.975 133 N HN -0.044 nan 8.380 nan 0.000 0.451 134 D N 0.030 120.079 120.400 -0.583 0.000 2.443 134 D HA 0.069 4.709 4.640 -0.001 0.000 0.221 134 D C -0.133 175.979 176.300 -0.313 0.000 1.097 134 D CA -0.734 53.029 54.000 -0.395 0.000 0.865 134 D CB 0.412 41.227 40.800 0.024 0.000 1.034 134 D HN 0.050 nan 8.370 nan 0.000 0.511 135 F N 2.099 122.138 119.950 0.149 0.000 2.293 135 F HA 0.026 4.552 4.527 -0.001 0.000 0.297 135 F C 2.179 178.067 175.800 0.146 0.000 1.089 135 F CA 0.235 58.314 58.000 0.130 0.000 1.377 135 F CB -0.346 38.717 39.000 0.104 0.000 1.051 135 F HN 0.311 nan 8.300 nan 0.000 0.511 136 E N 0.470 120.846 120.200 0.294 0.000 2.023 136 E HA -0.205 4.144 4.350 -0.001 0.000 0.196 136 E C 2.441 179.185 176.600 0.239 0.000 1.003 136 E CA 2.598 59.142 56.400 0.239 0.000 0.809 136 E CB -0.697 29.169 29.700 0.277 0.000 0.755 136 E HN 0.448 nan 8.360 nan 0.000 0.449 137 T N -0.591 114.155 114.554 0.320 0.000 2.746 137 T HA -0.174 4.175 4.350 -0.001 0.000 0.267 137 T C 1.733 176.586 174.700 0.256 0.000 1.039 137 T CA 1.313 63.623 62.100 0.350 0.000 1.142 137 T CB -0.437 68.660 68.868 0.382 0.000 0.866 137 T HN -0.037 nan 8.240 nan 0.000 0.444 138 N N 2.273 121.104 118.700 0.219 0.000 2.049 138 N HA -0.142 4.597 4.740 -0.001 0.000 0.198 138 N C 1.576 177.221 175.510 0.225 0.000 1.030 138 N CA 1.968 55.146 53.050 0.214 0.000 0.870 138 N CB -0.694 37.924 38.487 0.218 0.000 1.045 138 N HN 0.518 nan 8.380 nan 0.000 0.434 139 D N 0.079 120.604 120.400 0.209 0.000 2.183 139 D HA 0.008 4.647 4.640 -0.001 0.000 0.203 139 D C 1.761 178.154 176.300 0.154 0.000 0.969 139 D CA 0.904 55.010 54.000 0.177 0.000 0.842 139 D CB -0.346 40.542 40.800 0.148 0.000 0.957 139 D HN 0.282 nan 8.370 nan 0.000 0.484 140 A N 0.683 123.593 122.820 0.150 0.000 1.902 140 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 140 A C 2.317 179.983 177.584 0.137 0.000 1.181 140 A CA 0.851 52.960 52.037 0.120 0.000 0.623 140 A CB -0.601 18.492 19.000 0.156 0.000 0.818 140 A HN 0.175 nan 8.150 nan 0.000 0.443 141 I N -0.494 120.196 120.570 0.200 0.000 2.233 141 I HA -0.219 3.950 4.170 -0.001 0.000 0.243 141 I C 2.399 178.702 176.117 0.308 0.000 1.093 141 I CA 0.857 62.307 61.300 0.250 0.000 1.380 141 I CB -0.413 37.793 38.000 0.344 0.000 1.067 141 I HN 0.282 nan 8.210 nan 0.000 0.413 142 L N 0.147 121.574 121.223 0.340 0.000 1.963 142 L HA -0.299 4.041 4.340 -0.001 0.000 0.220 142 L C 2.673 179.686 176.870 0.237 0.000 1.076 142 L CA 1.524 56.597 54.840 0.389 0.000 0.772 142 L CB -0.776 41.466 42.059 0.304 0.000 0.892 142 L HN 0.296 nan 8.230 nan 0.000 0.435 143 L N 0.197 121.509 121.223 0.148 0.000 1.990 143 L HA -0.170 4.169 4.340 -0.001 0.000 0.213 143 L C 2.353 179.221 176.870 -0.002 0.000 1.072 143 L CA 2.431 57.317 54.840 0.078 0.000 0.755 143 L CB -1.240 40.872 42.059 0.088 0.000 0.889 143 L HN 0.222 nan 8.230 nan 0.000 0.432 144 G N -1.850 106.930 108.800 -0.034 0.000 2.491 144 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.218 144 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.218 144 G C 1.446 176.153 174.900 -0.322 0.000 1.180 144 G CA 1.193 46.192 45.100 -0.169 0.000 0.774 144 G HN 0.505 nan 8.290 nan 0.000 0.562 145 Y N 1.497 121.555 120.300 -0.403 0.000 2.165 145 Y HA -0.129 4.420 4.550 -0.001 0.000 0.286 145 Y C 3.396 178.997 175.900 -0.497 0.000 1.155 145 Y CA 1.782 59.400 58.100 -0.803 0.000 1.164 145 Y CB -0.696 36.563 38.460 -2.001 0.000 0.978 145 Y HN 0.171 nan 8.280 nan 0.000 0.513 146 T N -0.766 113.686 114.554 -0.170 0.000 2.652 146 T HA -0.185 4.164 4.350 -0.001 0.000 0.267 146 T C 2.113 176.645 174.700 -0.280 0.000 1.039 146 T CA 1.796 63.791 62.100 -0.175 0.000 1.153 146 T CB -0.862 67.731 68.868 -0.459 0.000 0.863 146 T HN 0.113 nan 8.240 nan 0.000 0.428 147 V N 1.711 121.493 119.914 -0.221 0.000 2.427 147 V HA -0.124 3.995 4.120 -0.001 0.000 0.248 147 V C 2.908 179.061 176.094 0.097 0.000 1.051 147 V CA 1.543 63.831 62.300 -0.020 0.000 1.048 147 V CB -1.275 30.622 31.823 0.124 0.000 0.666 147 V HN 0.542 nan 8.190 nan 0.000 0.456 148 A N -0.377 122.451 122.820 0.013 0.000 1.877 148 A HA -0.252 4.067 4.320 -0.001 0.000 0.216 148 A C 1.992 179.616 177.584 0.068 0.000 1.186 148 A CA 1.741 53.774 52.037 -0.008 0.000 0.620 148 A CB -0.833 18.069 19.000 -0.164 0.000 0.822 148 A HN 0.656 nan 8.150 nan 0.000 0.443 149 W N 0.314 121.534 121.300 -0.133 0.000 2.289 149 W HA -0.306 4.354 4.660 -0.001 0.000 0.331 149 W C 2.056 178.527 176.519 -0.080 0.000 1.283 149 W CA 1.892 59.182 57.345 -0.092 0.000 1.252 149 W CB -1.475 27.929 29.460 -0.093 0.000 1.153 149 W HN 0.448 nan 8.180 nan 0.000 0.467 150 F N 0.605 120.542 119.950 -0.023 0.000 2.120 150 F HA -0.251 4.275 4.527 -0.001 0.000 0.300 150 F C 2.314 178.038 175.800 -0.128 0.000 1.095 150 F CA 2.415 60.317 58.000 -0.163 0.000 1.249 150 F CB -0.800 38.095 39.000 -0.176 0.000 0.995 150 F HN -0.144 nan 8.300 nan 0.000 0.480 151 L N -0.174 120.943 121.223 -0.178 0.000 2.109 151 L HA -0.050 4.290 4.340 -0.001 0.000 0.207 151 L C 2.818 179.550 176.870 -0.231 0.000 1.086 151 L CA 1.020 55.667 54.840 -0.321 0.000 0.760 151 L CB -1.463 40.538 42.059 -0.096 0.000 0.910 151 L HN 0.349 nan 8.230 nan 0.000 0.437 152 G N -0.272 108.473 108.800 -0.092 0.000 2.545 152 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.217 152 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.217 152 G C 1.371 176.241 174.900 -0.050 0.000 1.218 152 G CA 0.549 45.627 45.100 -0.037 0.000 0.787 152 G HN 0.259 nan 8.290 nan 0.000 0.571 153 E N 0.235 120.398 120.200 -0.062 0.000 2.086 153 E HA -0.149 4.200 4.350 -0.001 0.000 0.200 153 E C 2.856 179.372 176.600 -0.141 0.000 1.012 153 E CA 1.319 57.677 56.400 -0.069 0.000 0.812 153 E CB -0.713 28.926 29.700 -0.101 0.000 0.743 153 E HN 0.330 nan 8.360 nan 0.000 0.453 154 V N 1.404 121.095 119.914 -0.371 0.000 2.358 154 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 154 V C 2.445 178.449 176.094 -0.150 0.000 1.047 154 V CA 1.677 63.763 62.300 -0.356 0.000 1.035 154 V CB -0.896 30.531 31.823 -0.660 0.000 0.658 154 V HN 0.259 nan 8.190 nan 0.000 0.452 155 A N -0.403 122.347 122.820 -0.115 0.000 1.851 155 A HA -0.309 4.010 4.320 -0.001 0.000 0.216 155 A C 2.255 179.850 177.584 0.019 0.000 1.195 155 A CA 2.116 54.142 52.037 -0.018 0.000 0.622 155 A CB -1.115 17.886 19.000 0.001 0.000 0.831 155 A HN 0.695 nan 8.150 nan 0.000 0.444 156 H N -0.159 118.877 119.070 -0.058 0.000 2.289 156 H HA -0.165 4.390 4.556 -0.001 0.000 0.294 156 H C 1.955 177.254 175.328 -0.049 0.000 1.095 156 H CA 2.289 58.310 56.048 -0.045 0.000 1.256 156 H CB -0.231 29.507 29.762 -0.040 0.000 1.359 156 H HN 0.393 nan 8.280 nan 0.000 0.487 157 L N 0.116 121.268 121.223 -0.118 0.000 2.217 157 L HA -0.071 4.268 4.340 -0.001 0.000 0.211 157 L C 0.457 177.252 176.870 -0.124 0.000 1.107 157 L CA 0.689 55.432 54.840 -0.162 0.000 0.783 157 L CB -0.021 42.003 42.059 -0.057 0.000 0.919 157 L HN 0.192 nan 8.230 nan 0.000 0.442 158 D N -1.312 119.044 120.400 -0.073 0.000 2.373 158 D HA 0.074 4.714 4.640 -0.001 0.000 0.227 158 D C 0.907 177.170 176.300 -0.062 0.000 1.091 158 D CA -0.003 53.978 54.000 -0.032 0.000 0.840 158 D CB 1.066 41.910 40.800 0.073 0.000 1.060 158 D HN -0.036 nan 8.370 nan 0.000 0.502 159 S N 2.459 118.098 115.700 -0.101 0.000 2.556 159 S HA -0.036 4.434 4.470 -0.001 0.000 0.216 159 S C 1.341 175.868 174.600 -0.122 0.000 0.970 159 S CA 0.021 58.159 58.200 -0.103 0.000 0.912 159 S CB 0.223 63.360 63.200 -0.105 0.000 0.790 159 S HN 0.557 nan 8.310 nan 0.000 0.504 160 Q N 0.375 120.052 119.800 -0.204 0.000 2.287 160 Q HA 0.178 4.518 4.340 -0.001 0.000 0.201 160 Q C -0.323 175.526 176.000 -0.251 0.000 0.946 160 Q CA 0.366 55.974 55.803 -0.325 0.000 0.868 160 Q CB 0.225 28.601 28.738 -0.604 0.000 0.967 160 Q HN 0.795 nan 8.270 nan 0.000 0.516 161 H N -0.456 118.678 119.070 0.107 0.000 2.499 161 H HA 0.593 5.148 4.556 -0.001 0.000 0.340 161 H C -0.858 174.587 175.328 0.195 0.000 1.148 161 H CA -0.584 55.570 56.048 0.177 0.000 1.215 161 H CB 1.688 31.587 29.762 0.229 0.000 1.529 161 H HN 0.309 nan 8.280 nan 0.000 0.510 162 A N 2.659 125.714 122.820 0.391 0.000 2.407 162 A HA 0.359 4.679 4.320 -0.001 0.000 0.248 162 A C -0.202 177.650 177.584 0.448 0.000 1.082 162 A CA -0.252 52.031 52.037 0.409 0.000 0.785 162 A CB -0.102 19.179 19.000 0.468 0.000 1.020 162 A HN 0.705 nan 8.150 nan 0.000 0.489 163 I N 2.959 123.762 120.570 0.388 0.000 2.390 163 I HA 0.216 4.385 4.170 -0.001 0.000 0.283 163 I C -0.660 175.650 176.117 0.322 0.000 1.016 163 I CA -0.519 61.008 61.300 0.379 0.000 1.151 163 I CB 1.647 39.819 38.000 0.286 0.000 1.293 163 I HN 0.324 nan 8.210 nan 0.000 0.458 164 V N 5.436 125.575 119.914 0.375 0.000 2.498 164 V HA 0.634 4.754 4.120 -0.001 0.000 0.279 164 V C 0.467 176.757 176.094 0.327 0.000 1.048 164 V CA -0.416 62.054 62.300 0.283 0.000 0.967 164 V CB 1.278 33.266 31.823 0.274 0.000 0.988 164 V HN 0.790 nan 8.190 nan 0.000 0.473 165 A N 3.570 126.542 122.820 0.255 0.000 2.375 165 A HA 0.570 4.889 4.320 -0.001 0.000 0.291 165 A C -0.780 176.874 177.584 0.117 0.000 1.160 165 A CA -0.504 51.654 52.037 0.201 0.000 0.747 165 A CB 0.357 19.496 19.000 0.233 0.000 1.170 165 A HN 0.995 nan 8.150 nan 0.000 0.458 166 H N 1.626 120.620 119.070 -0.128 0.000 2.488 166 H HA 0.650 5.205 4.556 -0.001 0.000 0.322 166 H C -1.384 173.754 175.328 -0.317 0.000 1.078 166 H CA -0.441 55.563 56.048 -0.075 0.000 1.260 166 H CB 0.693 30.463 29.762 0.013 0.000 1.425 166 H HN 0.550 nan 8.280 nan 0.000 0.471 167 F N 3.366 123.508 119.950 0.319 0.000 2.507 167 F HA 0.273 4.799 4.527 -0.001 0.000 0.325 167 F C -0.080 175.820 175.800 0.167 0.000 1.116 167 F CA -0.867 57.285 58.000 0.253 0.000 0.930 167 F CB 1.416 40.585 39.000 0.281 0.000 1.146 167 F HN 0.535 nan 8.300 nan 0.000 0.447 168 H N 2.587 121.910 119.070 0.422 0.000 2.595 168 H HA 0.402 4.957 4.556 -0.001 0.000 0.313 168 H C -0.356 175.154 175.328 0.302 0.000 1.023 168 H CA -0.517 55.715 56.048 0.307 0.000 1.218 168 H CB 1.649 31.520 29.762 0.182 0.000 1.403 168 H HN 0.724 nan 8.280 nan 0.000 0.477 169 E N 1.299 121.761 120.200 0.437 0.000 8.839 169 E HA -0.188 4.161 4.350 -0.001 0.000 0.490 169 E C 0.751 177.668 176.600 0.529 0.000 1.298 169 E CA 0.678 57.331 56.400 0.422 0.000 2.312 169 E CB -0.628 29.202 29.700 0.217 0.000 1.006 169 E HN 0.739 nan 8.360 nan 0.000 0.262 170 W N 3.422 124.968 121.300 0.409 0.000 2.354 170 W HA -0.130 4.529 4.660 -0.001 0.000 0.315 170 W C 1.569 178.189 176.519 0.167 0.000 1.206 170 W CA 1.278 58.777 57.345 0.256 0.000 1.290 170 W CB -1.189 28.367 29.460 0.161 0.000 1.152 170 W HN 0.536 nan 8.180 nan 0.000 0.489 171 L N 1.784 122.522 121.223 -0.809 0.000 2.302 171 L HA -0.220 4.119 4.340 -0.001 0.000 0.218 171 L C 2.290 179.076 176.870 -0.141 0.000 1.100 171 L CA 1.875 56.312 54.840 -0.672 0.000 0.774 171 L CB -0.947 40.671 42.059 -0.734 0.000 0.896 171 L HN 0.207 nan 8.230 nan 0.000 0.439 172 A N -1.121 121.717 122.820 0.031 0.000 2.631 172 A HA 0.508 4.827 4.320 -0.001 0.000 0.294 172 A C 1.535 179.251 177.584 0.220 0.000 1.156 172 A CA 0.326 52.458 52.037 0.157 0.000 0.963 172 A CB -0.010 19.121 19.000 0.219 0.000 1.202 172 A HN 0.282 nan 8.150 nan 0.000 0.523 173 G N -1.028 107.833 108.800 0.101 0.000 2.719 173 G HA2 0.172 4.132 3.960 -0.001 0.000 0.211 173 G HA3 0.172 4.132 3.960 -0.001 0.000 0.211 173 G C 1.165 175.899 174.900 -0.277 0.000 1.140 173 G CA 1.015 46.047 45.100 -0.112 0.000 0.790 173 G HN 0.217 nan 8.290 nan 0.000 0.529 174 V N 1.958 121.769 119.914 -0.171 0.000 2.392 174 V HA -0.196 3.923 4.120 -0.001 0.000 0.249 174 V C 3.252 179.108 176.094 -0.398 0.000 1.059 174 V CA 1.874 64.019 62.300 -0.259 0.000 1.051 174 V CB -0.807 30.899 31.823 -0.194 0.000 0.658 174 V HN 0.416 nan 8.190 nan 0.000 0.455 175 A N -0.513 122.088 122.820 -0.366 0.000 2.139 175 A HA -0.177 4.142 4.320 -0.001 0.000 0.221 175 A C 2.196 179.458 177.584 -0.538 0.000 1.159 175 A CA 1.712 53.510 52.037 -0.398 0.000 0.662 175 A CB -0.482 18.439 19.000 -0.131 0.000 0.796 175 A HN 0.546 nan 8.150 nan 0.000 0.463 176 L N -0.938 119.897 121.223 -0.647 0.000 2.068 176 L HA -0.039 4.300 4.340 -0.001 0.000 0.204 176 L C -0.406 176.222 176.870 -0.403 0.000 1.076 176 L CA 1.108 55.577 54.840 -0.619 0.000 0.753 176 L CB -1.001 40.652 42.059 -0.676 0.000 0.910 176 L HN 0.172 nan 8.230 nan 0.000 0.439 177 P HA -0.189 nan 4.420 nan 0.000 0.214 177 P C 1.871 179.020 177.300 -0.251 0.000 1.163 177 P CA 1.475 64.408 63.100 -0.279 0.000 0.883 177 P CB -0.005 31.536 31.700 -0.265 0.000 0.788 178 L N -1.217 119.827 121.223 -0.299 0.000 1.997 178 L HA -0.283 4.056 4.340 -0.001 0.000 0.216 178 L C 2.635 179.389 176.870 -0.194 0.000 1.074 178 L CA 1.791 56.475 54.840 -0.260 0.000 0.763 178 L CB -1.770 40.068 42.059 -0.367 0.000 0.890 178 L HN 0.073 nan 8.230 nan 0.000 0.434 179 C N -0.505 118.672 119.300 -0.205 0.000 2.403 179 C HA -0.189 4.270 4.460 -0.001 0.000 0.277 179 C C 3.095 178.020 174.990 -0.108 0.000 1.248 179 C CA 1.180 60.117 59.018 -0.135 0.000 1.762 179 C CB -1.068 26.598 27.740 -0.123 0.000 2.014 179 C HN 0.472 nan 8.230 nan 0.000 0.486 180 R N 0.400 120.821 120.500 -0.132 0.000 2.119 180 R HA -0.051 4.288 4.340 -0.001 0.000 0.222 180 R C 2.307 178.553 176.300 -0.090 0.000 1.088 180 R CA 0.873 56.910 56.100 -0.104 0.000 0.984 180 R CB -0.201 30.027 30.300 -0.120 0.000 0.884 180 R HN 0.280 nan 8.270 nan 0.000 0.447 181 K N 1.458 121.795 120.400 -0.104 0.000 1.973 181 K HA -0.079 4.240 4.320 -0.001 0.000 0.210 181 K C 1.579 178.139 176.600 -0.068 0.000 1.045 181 K CA 1.499 57.733 56.287 -0.087 0.000 0.937 181 K CB -0.230 32.213 32.500 -0.095 0.000 0.721 181 K HN 0.153 nan 8.250 nan 0.000 0.438 182 R N 1.003 121.460 120.500 -0.071 0.000 2.395 182 R HA -0.021 4.318 4.340 -0.001 0.000 0.202 182 R C 0.286 176.562 176.300 -0.040 0.000 1.088 182 R CA 0.135 56.201 56.100 -0.056 0.000 1.090 182 R CB -0.383 29.878 30.300 -0.064 0.000 0.876 182 R HN 0.153 nan 8.270 nan 0.000 0.477 183 R N 0.994 121.471 120.500 -0.039 0.000 3.460 183 R HA -0.183 4.157 4.340 -0.001 0.000 0.254 183 R C -0.502 175.796 176.300 -0.003 0.000 1.028 183 R CA 0.412 56.500 56.100 -0.020 0.000 0.688 183 R CB -1.660 28.633 30.300 -0.012 0.000 1.062 183 R HN 0.329 nan 8.270 nan 0.000 0.463 184 I N 0.356 120.920 120.570 -0.011 0.000 2.668 184 I HA -0.084 4.085 4.170 -0.001 0.000 0.285 184 I C 1.085 177.225 176.117 0.037 0.000 1.168 184 I CA 0.404 61.707 61.300 0.005 0.000 1.424 184 I CB 0.341 38.334 38.000 -0.012 0.000 1.377 184 I HN 0.134 nan 8.210 nan 0.000 0.560 185 D N 7.215 127.652 120.400 0.062 0.000 2.885 185 D HA 0.144 4.784 4.640 -0.001 0.000 0.234 185 D C -0.466 175.927 176.300 0.155 0.000 1.129 185 D CA 0.019 54.090 54.000 0.118 0.000 0.991 185 D CB -0.237 40.632 40.800 0.115 0.000 1.137 185 D HN 0.283 nan 8.370 nan 0.000 0.459 186 V N -1.012 118.971 119.914 0.116 0.000 2.735 186 V HA 0.604 4.723 4.120 -0.001 0.000 0.310 186 V C 0.149 176.285 176.094 0.069 0.000 1.061 186 V CA -1.156 61.221 62.300 0.127 0.000 0.913 186 V CB 1.606 33.496 31.823 0.113 0.000 1.005 186 V HN -0.007 nan 8.190 nan 0.000 0.428 187 V N 1.886 121.821 119.914 0.034 0.000 2.488 187 V HA 0.718 4.837 4.120 -0.001 0.000 0.277 187 V C 0.579 176.701 176.094 0.047 0.000 1.046 187 V CA 0.449 62.724 62.300 -0.041 0.000 0.986 187 V CB 0.261 31.993 31.823 -0.152 0.000 0.989 187 V HN 1.234 nan 8.190 nan 0.000 0.475 188 T N 3.100 117.679 114.554 0.041 0.000 2.855 188 T HA 0.806 5.155 4.350 -0.001 0.000 0.281 188 T C -0.548 174.188 174.700 0.060 0.000 1.007 188 T CA -0.675 61.504 62.100 0.132 0.000 1.009 188 T CB 1.648 70.588 68.868 0.121 0.000 0.983 188 T HN 0.606 nan 8.240 nan 0.000 0.455 189 I N 2.682 123.301 120.570 0.082 0.000 2.465 189 I HA 0.506 4.675 4.170 -0.001 0.000 0.291 189 I C -1.208 174.980 176.117 0.119 0.000 1.014 189 I CA -1.042 60.206 61.300 -0.086 0.000 1.093 189 I CB 1.928 39.592 38.000 -0.561 0.000 1.267 189 I HN 0.640 nan 8.210 nan 0.000 0.431 190 F N 5.080 125.038 119.950 0.014 0.000 2.427 190 F HA 0.515 5.041 4.527 -0.001 0.000 0.348 190 F C -0.382 175.556 175.800 0.231 0.000 1.125 190 F CA -0.345 57.738 58.000 0.139 0.000 0.989 190 F CB 1.520 40.555 39.000 0.057 0.000 1.165 190 F HN 0.281 nan 8.300 nan 0.000 0.442 191 T N 4.789 119.107 114.554 -0.394 0.000 2.758 191 T HA 0.300 4.649 4.350 -0.001 0.000 0.285 191 T C -0.262 174.073 174.700 -0.609 0.000 0.981 191 T CA -0.347 61.507 62.100 -0.411 0.000 0.965 191 T CB 1.154 69.936 68.868 -0.143 0.000 0.927 191 T HN 0.659 nan 8.240 nan 0.000 0.448 192 T N 2.101 116.354 114.554 -0.503 0.000 2.859 192 T HA 0.293 4.642 4.350 -0.001 0.000 0.281 192 T C 0.464 175.117 174.700 -0.079 0.000 1.005 192 T CA -0.630 61.367 62.100 -0.173 0.000 1.025 192 T CB 0.483 69.397 68.868 0.077 0.000 0.977 192 T HN 0.664 nan 8.240 nan 0.000 0.458 193 H N 2.361 121.493 119.070 0.104 0.000 2.542 193 H HA 0.577 5.133 4.556 -0.001 0.000 0.283 193 H C 0.510 175.932 175.328 0.157 0.000 1.059 193 H CA 0.024 56.143 56.048 0.118 0.000 1.162 193 H CB 0.654 30.497 29.762 0.136 0.000 1.539 193 H HN 0.736 nan 8.280 nan 0.000 0.543 194 A N 0.455 123.446 122.820 0.284 0.000 2.429 194 A HA 0.419 4.738 4.320 -0.001 0.000 0.295 194 A C -0.786 177.007 177.584 0.349 0.000 1.032 194 A CA -0.192 52.035 52.037 0.318 0.000 0.572 194 A CB 0.636 19.858 19.000 0.369 0.000 1.487 194 A HN 0.158 nan 8.150 nan 0.000 0.632 195 T N -1.960 112.830 114.554 0.393 0.000 2.864 195 T HA 0.633 4.982 4.350 -0.001 0.000 0.299 195 T C 0.568 175.449 174.700 0.301 0.000 1.166 195 T CA -0.198 62.111 62.100 0.349 0.000 1.007 195 T CB 0.989 70.057 68.868 0.333 0.000 1.219 195 T HN 0.761 nan 8.240 nan 0.000 0.506 196 L N 0.477 121.845 121.223 0.241 0.000 2.131 196 L HA 0.156 4.495 4.340 -0.001 0.000 0.206 196 L C 2.540 179.495 176.870 0.142 0.000 1.087 196 L CA 0.765 55.708 54.840 0.170 0.000 0.767 196 L CB -0.391 41.644 42.059 -0.040 0.000 0.917 196 L HN 0.645 nan 8.230 nan 0.000 0.441 197 L N -0.830 120.485 121.223 0.153 0.000 2.093 197 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 197 L C 2.608 179.554 176.870 0.126 0.000 1.085 197 L CA 1.187 56.109 54.840 0.135 0.000 0.755 197 L CB -1.090 41.068 42.059 0.165 0.000 0.904 197 L HN 0.325 nan 8.230 nan 0.000 0.435 198 G N 0.090 108.991 108.800 0.167 0.000 2.545 198 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.217 198 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.217 198 G C 1.679 176.223 174.900 -0.595 0.000 1.218 198 G CA 0.606 45.690 45.100 -0.026 0.000 0.787 198 G HN 0.268 nan 8.290 nan 0.000 0.571 199 R N -1.008 119.269 120.500 -0.373 0.000 2.115 199 R HA -0.025 4.315 4.340 -0.001 0.000 0.230 199 R C 2.340 178.357 176.300 -0.470 0.000 1.111 199 R CA 1.121 56.924 56.100 -0.495 0.000 0.976 199 R CB -0.351 29.869 30.300 -0.133 0.000 0.870 199 R HN 0.540 nan 8.270 nan 0.000 0.445 200 Y N 0.288 120.302 120.300 -0.476 0.000 2.420 200 Y HA 0.000 4.549 4.550 -0.001 0.000 0.292 200 Y C 2.164 177.639 175.900 -0.709 0.000 1.119 200 Y CA 0.542 58.205 58.100 -0.730 0.000 1.229 200 Y CB 0.113 37.878 38.460 -1.158 0.000 1.026 200 Y HN -0.054 nan 8.280 nan 0.000 0.554 201 L N -1.617 119.447 121.223 -0.265 0.000 2.109 201 L HA -0.207 4.133 4.340 -0.001 0.000 0.207 201 L C 1.430 178.237 176.870 -0.105 0.000 1.086 201 L CA 0.727 55.560 54.840 -0.011 0.000 0.760 201 L CB -0.358 41.825 42.059 0.206 0.000 0.910 201 L HN 0.235 nan 8.230 nan 0.000 0.437 202 C N -0.013 119.066 119.300 -0.369 0.000 2.524 202 C HA 0.266 4.725 4.460 -0.001 0.000 0.301 202 C C 2.497 177.387 174.990 -0.167 0.000 1.296 202 C CA 0.030 58.883 59.018 -0.276 0.000 1.683 202 C CB -1.508 25.916 27.740 -0.527 0.000 1.764 202 C HN 0.479 nan 8.230 nan 0.000 0.597 203 A N 1.540 124.253 122.820 -0.179 0.000 1.930 203 A HA -0.043 4.276 4.320 -0.001 0.000 0.215 203 A C 2.203 179.763 177.584 -0.039 0.000 1.176 203 A CA 1.965 53.916 52.037 -0.143 0.000 0.632 203 A CB -0.345 18.521 19.000 -0.223 0.000 0.819 203 A HN 0.630 nan 8.150 nan 0.000 0.445 204 S N -1.607 114.097 115.700 0.006 0.000 2.297 204 S HA 0.518 4.987 4.470 -0.001 0.000 0.200 204 S C 1.125 175.747 174.600 0.037 0.000 1.011 204 S CA 0.769 58.993 58.200 0.040 0.000 0.938 204 S CB -0.755 62.488 63.200 0.071 0.000 0.924 204 S HN 1.941 nan 8.310 nan 0.000 0.504 209 F N 1.091 121.190 119.950 0.249 0.000 1.832 209 F HA 0.222 4.748 4.527 -0.001 0.000 0.236 209 F C 0.849 176.697 175.800 0.080 0.000 1.180 209 F CA -0.166 57.893 58.000 0.099 0.000 1.297 209 F CB 0.043 39.011 39.000 -0.053 0.000 1.748 209 F HN 0.373 nan 8.300 nan 0.000 0.453 210 Y N 1.862 122.243 120.300 0.135 0.000 2.569 210 Y HA -0.107 4.442 4.550 -0.001 0.000 0.293 210 Y C 1.787 177.712 175.900 0.041 0.000 1.144 210 Y CA 1.288 59.378 58.100 -0.017 0.000 1.321 210 Y CB -0.587 37.860 38.460 -0.022 0.000 0.982 210 Y HN 0.197 nan 8.280 nan 0.000 0.558 211 N N -1.009 117.809 118.700 0.197 0.000 2.428 211 N HA -0.014 4.725 4.740 -0.001 0.000 0.181 211 N C 0.739 176.325 175.510 0.127 0.000 1.028 211 N CA 1.343 54.498 53.050 0.174 0.000 0.877 211 N CB -0.167 38.420 38.487 0.167 0.000 1.064 211 N HN 0.299 nan 8.380 nan 0.000 0.434 212 C N 1.424 120.773 119.300 0.081 0.000 2.667 212 C HA 0.489 4.948 4.460 -0.001 0.000 0.261 212 C C 1.577 176.560 174.990 -0.013 0.000 1.590 212 C CA -1.034 58.010 59.018 0.043 0.000 1.668 212 C CB -1.601 26.174 27.740 0.060 0.000 2.962 212 C HN 0.221 nan 8.230 nan 0.000 0.525 213 L N -1.628 119.537 121.223 -0.097 0.000 2.375 213 L HA 0.338 4.677 4.340 -0.001 0.000 0.215 213 L C 1.997 178.796 176.870 -0.118 0.000 1.108 213 L CA 1.375 56.114 54.840 -0.168 0.000 0.830 213 L CB -1.169 40.612 42.059 -0.463 0.000 0.959 213 L HN 0.299 nan 8.230 nan 0.000 0.457 214 E N 0.802 120.934 120.200 -0.113 0.000 2.401 214 E HA -0.098 4.251 4.350 -0.001 0.000 0.199 214 E C 0.918 177.409 176.600 -0.183 0.000 1.023 214 E CA 1.041 57.280 56.400 -0.269 0.000 0.859 214 E CB 0.003 29.580 29.700 -0.204 0.000 0.780 214 E HN 0.775 nan 8.360 nan 0.000 0.523 215 S N -0.715 114.935 115.700 -0.083 0.000 2.952 215 S HA 0.180 4.649 4.470 -0.001 0.000 0.251 215 S C -0.169 174.421 174.600 -0.017 0.000 1.021 215 S CA -0.739 57.433 58.200 -0.046 0.000 1.067 215 S CB 0.595 63.783 63.200 -0.021 0.000 1.002 215 S HN 0.035 nan 8.310 nan 0.000 0.574 216 V N 1.136 121.043 119.914 -0.011 0.000 2.532 216 V HA 0.533 4.652 4.120 -0.001 0.000 0.295 216 V C -0.769 175.338 176.094 0.021 0.000 1.041 216 V CA -0.550 61.762 62.300 0.019 0.000 0.926 216 V CB 1.546 33.395 31.823 0.043 0.000 0.992 216 V HN 0.330 nan 8.190 nan 0.000 0.457 217 D N 4.494 124.914 120.400 0.033 0.000 2.383 217 D HA 0.106 4.745 4.640 -0.001 0.000 0.245 217 D C 1.219 177.537 176.300 0.029 0.000 1.263 217 D CA 0.575 54.597 54.000 0.037 0.000 0.936 217 D CB 1.163 41.989 40.800 0.045 0.000 1.053 217 D HN 0.635 nan 8.370 nan 0.000 0.507 218 V N 2.026 121.944 119.914 0.006 0.000 2.233 218 V HA -0.237 3.882 4.120 -0.001 0.000 0.247 218 V C 1.650 177.639 176.094 -0.175 0.000 1.050 218 V CA 1.508 63.753 62.300 -0.091 0.000 1.010 218 V CB -0.465 31.346 31.823 -0.019 0.000 0.637 218 V HN 0.323 nan 8.190 nan 0.000 0.444 219 D N -0.915 119.466 120.400 -0.032 0.000 2.228 219 D HA -0.214 4.425 4.640 -0.001 0.000 0.203 219 D C 2.072 178.341 176.300 -0.052 0.000 0.988 219 D CA 2.043 56.057 54.000 0.023 0.000 0.864 219 D CB -0.339 40.513 40.800 0.087 0.000 0.928 219 D HN 0.819 nan 8.370 nan 0.000 0.469 220 H N 0.479 119.472 119.070 -0.128 0.000 2.370 220 H HA -0.005 4.550 4.556 -0.001 0.000 0.304 220 H C 1.643 176.865 175.328 -0.178 0.000 1.055 220 H CA 0.621 56.581 56.048 -0.146 0.000 1.373 220 H CB 0.701 30.394 29.762 -0.114 0.000 1.423 220 H HN -0.020 nan 8.280 nan 0.000 0.533 221 E N 1.202 121.245 120.200 -0.263 0.000 2.038 221 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 221 E C 2.381 178.781 176.600 -0.333 0.000 1.000 221 E CA 0.926 57.111 56.400 -0.359 0.000 0.803 221 E CB -0.614 29.031 29.700 -0.091 0.000 0.750 221 E HN 0.509 nan 8.360 nan 0.000 0.448 222 A N 1.502 124.206 122.820 -0.195 0.000 1.903 222 A HA -0.201 4.118 4.320 -0.001 0.000 0.219 222 A C 2.552 180.087 177.584 -0.083 0.000 1.191 222 A CA 2.486 54.451 52.037 -0.120 0.000 0.638 222 A CB -1.372 17.474 19.000 -0.256 0.000 0.823 222 A HN 0.372 nan 8.150 nan 0.000 0.451 223 G N -0.967 107.739 108.800 -0.157 0.000 2.422 223 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 223 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 223 G C 1.690 176.450 174.900 -0.234 0.000 1.146 223 G CA 1.087 46.086 45.100 -0.168 0.000 0.769 223 G HN 0.621 nan 8.290 nan 0.000 0.547 224 R N -0.704 119.533 120.500 -0.438 0.000 2.152 224 R HA 0.016 4.355 4.340 -0.001 0.000 0.232 224 R C 1.375 177.431 176.300 -0.406 0.000 1.117 224 R CA 0.927 56.719 56.100 -0.513 0.000 0.981 224 R CB -0.261 29.574 30.300 -0.776 0.000 0.870 224 R HN 0.364 nan 8.270 nan 0.000 0.451 225 F N -0.017 119.854 119.950 -0.132 0.000 2.727 225 F HA 0.353 4.879 4.527 -0.001 0.000 0.302 225 F C 1.314 177.047 175.800 -0.112 0.000 1.097 225 F CA 0.314 58.248 58.000 -0.109 0.000 1.330 225 F CB 0.521 39.380 39.000 -0.235 0.000 1.084 225 F HN 0.204 nan 8.300 nan 0.000 0.578 226 G N 1.105 109.937 108.800 0.053 0.000 2.295 226 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.287 226 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.287 226 G C 0.641 175.586 174.900 0.074 0.000 1.055 226 G CA 0.518 45.664 45.100 0.076 0.000 0.922 226 G HN 0.298 nan 8.290 nan 0.000 0.503 227 I N -1.454 119.119 120.570 0.004 0.000 4.338 227 I HA 0.143 4.312 4.170 -0.001 0.000 0.329 227 I C 1.912 177.959 176.117 -0.117 0.000 1.378 227 I CA -0.468 60.720 61.300 -0.186 0.000 1.170 227 I CB -0.884 36.885 38.000 -0.385 0.000 1.206 227 I HN 0.285 nan 8.210 nan 0.000 0.432 228 Y N 3.898 124.185 120.300 -0.022 0.000 2.062 228 Y HA -0.356 4.193 4.550 -0.001 0.000 0.276 228 Y C 2.979 178.928 175.900 0.081 0.000 1.189 228 Y CA 2.731 60.868 58.100 0.061 0.000 1.130 228 Y CB -0.497 38.021 38.460 0.095 0.000 0.959 228 Y HN 0.430 nan 8.280 nan 0.000 0.499 229 H N -0.676 118.338 119.070 -0.094 0.000 2.353 229 H HA -0.064 4.491 4.556 -0.001 0.000 0.300 229 H C 2.201 177.385 175.328 -0.241 0.000 1.090 229 H CA 1.642 57.580 56.048 -0.183 0.000 1.327 229 H CB -0.834 28.900 29.762 -0.047 0.000 1.383 229 H HN 0.341 nan 8.280 nan 0.000 0.508 230 R N 0.024 119.952 120.500 -0.954 0.000 2.080 230 R HA -0.193 4.146 4.340 -0.001 0.000 0.236 230 R C 2.432 178.303 176.300 -0.715 0.000 1.137 230 R CA 1.692 57.201 56.100 -0.984 0.000 0.943 230 R CB -0.799 28.779 30.300 -1.203 0.000 0.846 230 R HN 0.319 nan 8.270 nan 0.000 0.431 231 Y N 1.316 121.258 120.300 -0.597 0.000 2.102 231 Y HA -0.365 4.184 4.550 -0.001 0.000 0.280 231 Y C 2.354 178.055 175.900 -0.331 0.000 1.178 231 Y CA 1.395 59.261 58.100 -0.390 0.000 1.146 231 Y CB -0.597 37.720 38.460 -0.238 0.000 0.968 231 Y HN 0.084 nan 8.280 nan 0.000 0.504 232 C N 0.109 119.104 119.300 -0.508 0.000 2.422 232 C HA -0.136 4.323 4.460 -0.001 0.000 0.279 232 C C 2.805 177.572 174.990 -0.372 0.000 1.305 232 C CA 1.034 59.750 59.018 -0.503 0.000 1.757 232 C CB -1.452 26.025 27.740 -0.439 0.000 1.962 232 C HN 0.620 nan 8.230 nan 0.000 0.499 233 I N 0.771 121.165 120.570 -0.294 0.000 2.252 233 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 233 I C 2.679 178.679 176.117 -0.196 0.000 1.102 233 I CA 1.607 62.803 61.300 -0.174 0.000 1.385 233 I CB -0.543 37.456 38.000 -0.002 0.000 1.064 233 I HN 0.428 nan 8.210 nan 0.000 0.414 234 E N 1.102 121.172 120.200 -0.216 0.000 2.051 234 E HA -0.266 4.083 4.350 -0.001 0.000 0.192 234 E C 2.407 178.855 176.600 -0.254 0.000 0.991 234 E CA 1.150 57.487 56.400 -0.106 0.000 0.799 234 E CB 0.024 29.704 29.700 -0.033 0.000 0.748 234 E HN 0.246 nan 8.360 nan 0.000 0.449 235 R N -0.125 120.142 120.500 -0.389 0.000 2.073 235 R HA -0.121 4.218 4.340 -0.001 0.000 0.234 235 R C 2.240 178.412 176.300 -0.214 0.000 1.134 235 R CA 1.333 57.238 56.100 -0.325 0.000 0.952 235 R CB -0.315 29.709 30.300 -0.461 0.000 0.850 235 R HN 0.203 nan 8.270 nan 0.000 0.433 236 A N 0.368 123.030 122.820 -0.264 0.000 2.019 236 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 236 A C 2.184 179.556 177.584 -0.353 0.000 1.164 236 A CA 1.598 53.489 52.037 -0.243 0.000 0.644 236 A CB -0.474 18.379 19.000 -0.245 0.000 0.805 236 A HN 0.540 nan 8.150 nan 0.000 0.449 237 A N -0.535 121.969 122.820 -0.527 0.000 2.016 237 A HA 0.349 4.668 4.320 -0.001 0.000 0.217 237 A C 2.354 179.381 177.584 -0.930 0.000 1.162 237 A CA 1.472 52.995 52.037 -0.857 0.000 0.662 237 A CB -0.625 17.593 19.000 -1.304 0.000 0.812 237 A HN 0.892 nan 8.150 nan 0.000 0.450 238 A N -1.267 121.080 122.820 -0.788 0.000 1.930 238 A HA -0.076 4.243 4.320 -0.001 0.000 0.215 238 A C 1.997 179.108 177.584 -0.788 0.000 1.176 238 A CA 1.239 52.688 52.037 -0.980 0.000 0.632 238 A CB -0.701 17.523 19.000 -1.293 0.000 0.819 238 A HN 0.636 nan 8.150 nan 0.000 0.445 239 H N -0.548 118.268 119.070 -0.424 0.000 2.448 239 H HA 0.074 4.629 4.556 -0.001 0.000 0.292 239 H C 1.760 176.951 175.328 -0.228 0.000 1.035 239 H CA 1.352 57.237 56.048 -0.271 0.000 1.349 239 H CB 0.141 29.771 29.762 -0.220 0.000 1.425 239 H HN 0.459 nan 8.280 nan 0.000 0.539 240 S N 0.449 116.050 115.700 -0.166 0.000 2.562 240 S HA 0.199 4.668 4.470 -0.001 0.000 0.221 240 S C 1.126 175.622 174.600 -0.174 0.000 0.975 240 S CA -0.030 58.067 58.200 -0.172 0.000 0.918 240 S CB 0.166 63.231 63.200 -0.224 0.000 0.772 240 S HN 0.353 nan 8.310 nan 0.000 0.531 241 A N 1.490 124.204 122.820 -0.177 0.000 2.316 241 A HA 0.378 4.697 4.320 -0.001 0.000 0.284 241 A C 0.618 178.164 177.584 -0.062 0.000 1.115 241 A CA -0.563 51.411 52.037 -0.106 0.000 0.812 241 A CB 0.315 19.299 19.000 -0.026 0.000 1.064 241 A HN 0.060 nan 8.150 nan 0.000 0.489 242 D N 0.215 120.583 120.400 -0.052 0.000 2.144 242 D HA -0.002 4.637 4.640 -0.001 0.000 0.200 242 D C 0.206 176.481 176.300 -0.042 0.000 0.978 242 D CA 1.570 55.533 54.000 -0.061 0.000 0.833 242 D CB -0.015 40.733 40.800 -0.086 0.000 0.961 242 D HN 0.200 nan 8.370 nan 0.000 0.470 243 V N 1.194 121.096 119.914 -0.020 0.000 2.577 243 V HA 0.237 4.356 4.120 -0.001 0.000 0.303 243 V C -0.951 175.207 176.094 0.106 0.000 1.042 243 V CA -0.993 61.305 62.300 -0.002 0.000 0.872 243 V CB 2.350 34.128 31.823 -0.075 0.000 0.998 243 V HN -0.120 nan 8.190 nan 0.000 0.423 244 F N 4.789 124.697 119.950 -0.070 0.000 2.436 244 F HA 0.817 5.343 4.527 -0.001 0.000 0.340 244 F C 0.313 176.054 175.800 -0.098 0.000 1.113 244 F CA -0.691 57.281 58.000 -0.048 0.000 1.022 244 F CB 1.647 40.626 39.000 -0.035 0.000 1.128 244 F HN 0.636 nan 8.300 nan 0.000 0.466 245 T N 1.436 115.796 114.554 -0.323 0.000 2.903 245 T HA 0.770 5.119 4.350 -0.001 0.000 0.299 245 T C -0.352 173.982 174.700 -0.610 0.000 1.093 245 T CA -0.627 61.187 62.100 -0.476 0.000 1.002 245 T CB 1.686 70.379 68.868 -0.291 0.000 1.127 245 T HN 0.731 nan 8.240 nan 0.000 0.488 246 T N -1.643 112.622 114.554 -0.482 0.000 2.883 246 T HA 0.585 4.934 4.350 -0.001 0.000 0.284 246 T C 1.387 175.912 174.700 -0.292 0.000 1.041 246 T CA -0.184 61.692 62.100 -0.373 0.000 1.007 246 T CB 1.054 69.752 68.868 -0.285 0.000 1.220 246 T HN 0.967 nan 8.240 nan 0.000 0.552 247 V N -1.272 118.488 119.914 -0.257 0.000 3.052 247 V HA 0.300 4.419 4.120 -0.001 0.000 0.254 247 V C 0.920 176.970 176.094 -0.074 0.000 1.100 247 V CA 0.633 62.795 62.300 -0.230 0.000 1.112 247 V CB -1.310 30.387 31.823 -0.209 0.000 0.738 247 V HN 1.128 nan 8.190 nan 0.000 0.469 248 S N -2.228 113.483 115.700 0.018 0.000 2.579 248 S HA 0.422 4.891 4.470 -0.001 0.000 0.272 248 S C 0.303 174.952 174.600 0.081 0.000 1.141 248 S CA -0.612 57.669 58.200 0.135 0.000 0.843 248 S CB 2.130 65.471 63.200 0.235 0.000 1.122 248 S HN -0.011 nan 8.310 nan 0.000 0.468 249 Q N 0.199 120.065 119.800 0.110 0.000 2.181 249 Q HA -0.075 4.264 4.340 -0.001 0.000 0.205 249 Q C 1.709 177.766 176.000 0.096 0.000 0.980 249 Q CA 1.650 57.501 55.803 0.079 0.000 0.862 249 Q CB -0.513 28.267 28.738 0.070 0.000 0.905 249 Q HN 0.831 nan 8.270 nan 0.000 0.429 250 I N -0.123 120.507 120.570 0.099 0.000 2.584 250 I HA -0.132 4.037 4.170 -0.001 0.000 0.255 250 I C 1.685 177.941 176.117 0.231 0.000 1.145 250 I CA 1.256 62.643 61.300 0.144 0.000 1.462 250 I CB -0.187 37.852 38.000 0.065 0.000 1.102 250 I HN 0.010 nan 8.210 nan 0.000 0.433 251 T N 0.939 115.580 114.554 0.146 0.000 2.821 251 T HA -0.044 4.305 4.350 -0.001 0.000 0.267 251 T C 2.005 176.759 174.700 0.090 0.000 1.046 251 T CA 1.194 63.373 62.100 0.131 0.000 1.139 251 T CB -0.531 68.377 68.868 0.067 0.000 0.871 251 T HN 0.467 nan 8.240 nan 0.000 0.454 252 A N 1.194 124.037 122.820 0.038 0.000 1.940 252 A HA -0.061 4.259 4.320 -0.001 0.000 0.219 252 A C 1.987 179.581 177.584 0.018 0.000 1.176 252 A CA 1.389 53.408 52.037 -0.030 0.000 0.631 252 A CB -0.965 18.007 19.000 -0.047 0.000 0.814 252 A HN 0.531 nan 8.150 nan 0.000 0.446 253 F N 0.746 120.676 119.950 -0.034 0.000 2.075 253 F HA -0.154 4.373 4.527 -0.001 0.000 0.297 253 F C 2.173 177.928 175.800 -0.075 0.000 1.113 253 F CA 2.173 60.134 58.000 -0.065 0.000 1.218 253 F CB -0.331 38.686 39.000 0.030 0.000 0.984 253 F HN 0.344 nan 8.300 nan 0.000 0.472 254 E N 0.503 120.767 120.200 0.107 0.000 2.048 254 E HA -0.329 4.020 4.350 -0.001 0.000 0.202 254 E C 2.365 178.958 176.600 -0.012 0.000 1.021 254 E CA 1.411 57.849 56.400 0.063 0.000 0.825 254 E CB -0.615 29.259 29.700 0.291 0.000 0.756 254 E HN 0.549 nan 8.360 nan 0.000 0.454 255 A N 1.355 124.201 122.820 0.044 0.000 1.851 255 A HA -0.314 4.005 4.320 -0.001 0.000 0.216 255 A C 2.084 179.694 177.584 0.044 0.000 1.195 255 A CA 2.012 54.113 52.037 0.107 0.000 0.622 255 A CB -0.844 18.224 19.000 0.113 0.000 0.831 255 A HN 0.398 nan 8.150 nan 0.000 0.444 256 E N -0.824 119.318 120.200 -0.096 0.000 2.164 256 E HA -0.326 4.024 4.350 -0.001 0.000 0.206 256 E C 1.618 178.161 176.600 -0.094 0.000 1.032 256 E CA 2.077 58.387 56.400 -0.150 0.000 0.832 256 E CB -0.279 29.215 29.700 -0.343 0.000 0.742 256 E HN 0.887 nan 8.360 nan 0.000 0.460 257 H N -1.477 117.516 119.070 -0.128 0.000 2.592 257 H HA 0.185 4.740 4.556 -0.001 0.000 0.265 257 H C 1.644 176.959 175.328 -0.021 0.000 0.955 257 H CA 0.156 56.131 56.048 -0.122 0.000 1.175 257 H CB 0.578 30.170 29.762 -0.284 0.000 1.433 257 H HN 0.154 nan 8.280 nan 0.000 0.537 258 L N -0.280 121.027 121.223 0.139 0.000 2.500 258 L HA 0.117 4.457 4.340 -0.001 0.000 0.219 258 L C 1.372 178.416 176.870 0.291 0.000 1.057 258 L CA 0.329 55.291 54.840 0.204 0.000 0.854 258 L CB 0.440 42.628 42.059 0.214 0.000 1.078 258 L HN 0.247 nan 8.230 nan 0.000 0.480 259 L N -0.836 120.523 121.223 0.226 0.000 2.515 259 L HA 0.141 4.480 4.340 -0.001 0.000 0.223 259 L C 0.408 177.380 176.870 0.170 0.000 1.079 259 L CA 0.023 54.972 54.840 0.181 0.000 0.857 259 L CB 0.312 42.469 42.059 0.164 0.000 1.050 259 L HN 0.125 nan 8.230 nan 0.000 0.476 260 K N 0.662 121.164 120.400 0.170 0.000 3.338 260 K HA -0.155 4.164 4.320 -0.001 0.000 0.292 260 K C 0.020 176.705 176.600 0.143 0.000 1.268 260 K CA 0.629 57.026 56.287 0.182 0.000 0.853 260 K CB -1.779 30.863 32.500 0.237 0.000 1.342 260 K HN 0.469 nan 8.250 nan 0.000 0.501 261 R N 0.845 121.387 120.500 0.071 0.000 2.508 261 R HA 0.220 4.559 4.340 -0.001 0.000 0.283 261 R C -0.878 175.520 176.300 0.163 0.000 1.120 261 R CA -0.773 55.361 56.100 0.057 0.000 0.958 261 R CB 1.324 31.507 30.300 -0.196 0.000 1.215 261 R HN 0.128 nan 8.270 nan 0.000 0.427 262 K N 5.825 126.277 120.400 0.086 0.000 2.402 262 K HA 0.165 4.484 4.320 -0.001 0.000 0.285 262 K C -2.085 174.526 176.600 0.019 0.000 1.054 262 K CA -1.168 55.135 56.287 0.027 0.000 1.001 262 K CB 0.534 33.040 32.500 0.010 0.000 0.946 262 K HN 0.305 nan 8.250 nan 0.000 0.473 263 P HA -0.091 nan 4.420 nan 0.000 0.267 263 P C -0.533 176.692 177.300 -0.126 0.000 1.195 263 P CA 0.148 63.074 63.100 -0.290 0.000 0.773 263 P CB 0.472 31.894 31.700 -0.463 0.000 0.837 264 D N 0.302 120.639 120.400 -0.104 0.000 2.339 264 D HA 0.198 4.838 4.640 -0.001 0.000 0.217 264 D C 1.081 177.333 176.300 -0.079 0.000 1.050 264 D CA 0.680 54.644 54.000 -0.061 0.000 0.856 264 D CB 0.397 41.175 40.800 -0.037 0.000 0.922 264 D HN 0.530 nan 8.370 nan 0.000 0.518 265 G N -0.009 108.718 108.800 -0.122 0.000 2.320 265 G HA2 0.347 4.306 3.960 -0.001 0.000 0.296 265 G HA3 0.347 4.306 3.960 -0.001 0.000 0.296 265 G C -2.031 172.787 174.900 -0.136 0.000 1.306 265 G CA -0.692 44.348 45.100 -0.101 0.000 0.836 265 G HN -0.061 nan 8.290 nan 0.000 0.517 266 I N 0.496 121.011 120.570 -0.091 0.000 2.498 266 I HA 0.497 4.666 4.170 -0.001 0.000 0.290 266 I C -0.269 175.791 176.117 -0.096 0.000 1.032 266 I CA -1.065 60.183 61.300 -0.086 0.000 1.073 266 I CB 1.551 39.555 38.000 0.006 0.000 1.251 266 I HN 0.435 nan 8.210 nan 0.000 0.426 267 L N 7.583 128.711 121.223 -0.158 0.000 2.581 267 L HA 0.324 4.663 4.340 -0.001 0.000 0.241 267 L C -2.309 174.480 176.870 -0.135 0.000 1.265 267 L CA -1.468 53.289 54.840 -0.138 0.000 0.954 267 L CB 0.868 42.722 42.059 -0.341 0.000 1.269 267 L HN 0.271 nan 8.230 nan 0.000 0.475 268 P HA 0.052 nan 4.420 nan 0.000 0.271 268 P C -0.685 176.016 177.300 -0.998 0.000 1.216 268 P CA -0.258 62.358 63.100 -0.806 0.000 0.776 268 P CB 0.468 31.597 31.700 -0.951 0.000 0.881 269 N N 1.555 119.168 118.700 -1.811 0.000 2.405 269 N HA 0.186 4.925 4.740 -0.001 0.000 0.260 269 N C 0.894 175.688 175.510 -1.193 0.000 1.152 269 N CA 0.313 52.571 53.050 -1.321 0.000 0.948 269 N CB 0.507 38.083 38.487 -1.519 0.000 1.111 269 N HN 0.484 nan 8.380 nan 0.000 0.485 270 G N 1.187 108.942 108.800 -1.742 0.000 2.543 270 G HA2 0.659 4.619 3.960 -0.001 0.000 0.290 270 G HA3 0.659 4.619 3.960 -0.001 0.000 0.290 270 G C -0.250 173.936 174.900 -1.191 0.000 1.310 270 G CA -0.370 43.803 45.100 -1.546 0.000 1.025 270 G HN 0.434 nan 8.290 nan 0.000 0.502 271 L N -1.326 119.479 121.223 -0.697 0.000 2.359 271 L HA 0.355 4.694 4.340 -0.001 0.000 0.256 271 L C -0.578 176.280 176.870 -0.021 0.000 1.026 271 L CA -1.018 53.731 54.840 -0.150 0.000 0.828 271 L CB 2.331 44.450 42.059 0.099 0.000 1.406 271 L HN 0.308 nan 8.230 nan 0.000 0.413 272 N N 0.268 119.061 118.700 0.155 0.000 3.298 272 N HA 0.153 4.892 4.740 -0.001 0.000 0.292 272 N C 0.963 176.578 175.510 0.175 0.000 1.271 272 N CA -0.036 53.105 53.050 0.152 0.000 1.184 272 N CB 0.515 39.060 38.487 0.096 0.000 1.452 272 N HN 0.405 nan 8.380 nan 0.000 0.534 273 V N 1.594 121.616 119.914 0.180 0.000 2.252 273 V HA -0.404 3.715 4.120 -0.001 0.000 0.255 273 V C 2.074 178.289 176.094 0.202 0.000 1.071 273 V CA 1.826 64.256 62.300 0.216 0.000 1.050 273 V CB -0.566 31.324 31.823 0.112 0.000 0.654 273 V HN 0.592 nan 8.190 nan 0.000 0.448 274 I N 0.033 120.669 120.570 0.110 0.000 2.130 274 I HA -0.431 3.739 4.170 -0.001 0.000 0.241 274 I C 2.402 178.541 176.117 0.037 0.000 1.023 274 I CA 2.672 64.008 61.300 0.061 0.000 1.293 274 I CB -0.711 37.306 38.000 0.027 0.000 1.001 274 I HN 0.352 nan 8.210 nan 0.000 0.407 275 K N 0.786 121.174 120.400 -0.021 0.000 2.585 275 K HA -0.122 4.198 4.320 -0.001 0.000 0.194 275 K C 0.679 177.076 176.600 -0.340 0.000 1.037 275 K CA 1.036 57.213 56.287 -0.183 0.000 0.964 275 K CB -0.222 32.122 32.500 -0.260 0.000 0.787 275 K HN 0.308 nan 8.250 nan 0.000 0.488 276 F N 0.807 120.756 119.950 -0.002 0.000 2.850 276 F HA 0.331 4.857 4.527 -0.001 0.000 0.306 276 F C -0.207 175.592 175.800 -0.002 0.000 1.162 276 F CA -0.538 57.463 58.000 0.001 0.000 1.327 276 F CB 0.749 39.754 39.000 0.007 0.000 0.953 276 F HN 0.019 nan 8.300 nan 0.000 0.507 286 H N 0.327 119.382 119.070 -0.026 0.000 2.384 286 H HA 0.340 4.895 4.556 -0.001 0.000 0.300 286 H C 1.915 177.225 175.328 -0.029 0.000 1.057 286 H CA 1.941 57.961 56.048 -0.046 0.000 1.370 286 H CB 0.198 29.934 29.762 -0.044 0.000 1.417 286 H HN 0.337 nan 8.280 nan 0.000 0.527 287 A N 1.171 123.950 122.820 -0.069 0.000 1.892 287 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 287 A C 2.365 179.878 177.584 -0.118 0.000 1.188 287 A CA 1.942 53.918 52.037 -0.101 0.000 0.631 287 A CB -1.050 17.965 19.000 0.025 0.000 0.822 287 A HN 0.526 nan 8.150 nan 0.000 0.447 288 L N -1.274 119.908 121.223 -0.069 0.000 2.156 288 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 288 L C 1.871 178.697 176.870 -0.073 0.000 1.095 288 L CA 2.226 57.036 54.840 -0.051 0.000 0.770 288 L CB -0.353 41.691 42.059 -0.025 0.000 0.914 288 L HN 0.174 nan 8.230 nan 0.000 0.439 289 K N -0.381 119.953 120.400 -0.110 0.000 2.314 289 K HA -0.001 4.318 4.320 -0.001 0.000 0.198 289 K C 2.008 178.511 176.600 -0.162 0.000 1.045 289 K CA 0.554 56.768 56.287 -0.122 0.000 0.988 289 K CB -0.126 32.300 32.500 -0.123 0.000 0.783 289 K HN 0.202 nan 8.250 nan 0.000 0.484 290 K N 0.918 121.176 120.400 -0.238 0.000 2.097 290 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 290 K C 1.441 178.030 176.600 -0.020 0.000 1.049 290 K CA 1.186 57.366 56.287 -0.179 0.000 0.933 290 K CB 0.180 32.492 32.500 -0.313 0.000 0.717 290 K HN 0.034 nan 8.250 nan 0.000 0.442 291 E N 0.957 121.140 120.200 -0.028 0.000 2.110 291 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 291 E C 1.795 178.414 176.600 0.031 0.000 0.988 291 E CA 1.166 57.581 56.400 0.024 0.000 0.804 291 E CB 0.084 29.789 29.700 0.008 0.000 0.745 291 E HN 0.287 nan 8.360 nan 0.000 0.458 292 K N 0.116 120.514 120.400 -0.003 0.000 2.211 292 K HA -0.023 4.296 4.320 -0.001 0.000 0.203 292 K C 2.127 178.752 176.600 0.042 0.000 1.050 292 K CA 0.671 56.963 56.287 0.009 0.000 0.945 292 K CB 0.023 32.512 32.500 -0.019 0.000 0.732 292 K HN 0.144 nan 8.250 nan 0.000 0.451 293 I N 0.831 121.404 120.570 0.005 0.000 2.716 293 I HA -0.174 3.995 4.170 -0.001 0.000 0.259 293 I C 1.512 177.728 176.117 0.165 0.000 1.172 293 I CA 0.498 61.797 61.300 -0.002 0.000 1.478 293 I CB -0.234 37.575 38.000 -0.319 0.000 1.104 293 I HN 0.109 nan 8.210 nan 0.000 0.439 294 N N 1.303 120.117 118.700 0.191 0.000 2.166 294 N HA -0.168 4.572 4.740 -0.001 0.000 0.186 294 N C 1.388 176.989 175.510 0.152 0.000 1.019 294 N CA 1.349 54.549 53.050 0.250 0.000 0.856 294 N CB -0.304 38.311 38.487 0.213 0.000 0.993 294 N HN 0.285 nan 8.380 nan 0.000 0.426 295 D N -0.065 120.407 120.400 0.120 0.000 2.097 295 D HA -0.128 4.511 4.640 -0.001 0.000 0.195 295 D C 1.689 178.055 176.300 0.111 0.000 0.989 295 D CA 0.564 54.610 54.000 0.078 0.000 0.827 295 D CB -0.501 40.339 40.800 0.067 0.000 0.966 295 D HN 0.273 nan 8.370 nan 0.000 0.456 296 F N 1.063 121.058 119.950 0.075 0.000 2.171 296 F HA -0.163 4.363 4.527 -0.001 0.000 0.300 296 F C 1.953 177.895 175.800 0.236 0.000 1.090 296 F CA 0.936 59.015 58.000 0.131 0.000 1.293 296 F CB -0.155 38.922 39.000 0.127 0.000 1.013 296 F HN -0.199 nan 8.300 nan 0.000 0.486 297 V N 0.999 120.972 119.914 0.099 0.000 2.453 297 V HA -0.187 3.932 4.120 -0.001 0.000 0.247 297 V C 2.524 178.613 176.094 -0.008 0.000 1.048 297 V CA 1.865 64.255 62.300 0.149 0.000 1.049 297 V CB -0.602 31.469 31.823 0.413 0.000 0.672 297 V HN 0.265 nan 8.190 nan 0.000 0.457 298 R N 0.103 120.465 120.500 -0.229 0.000 2.120 298 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 298 R C 2.236 178.393 176.300 -0.239 0.000 1.123 298 R CA 1.400 57.184 56.100 -0.526 0.000 0.975 298 R CB -0.534 29.501 30.300 -0.442 0.000 0.866 298 R HN 0.577 nan 8.270 nan 0.000 0.446 299 G N -1.188 107.538 108.800 -0.123 0.000 2.777 299 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.211 299 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.211 299 G C 1.072 175.986 174.900 0.023 0.000 1.149 299 G CA 0.045 45.121 45.100 -0.040 0.000 0.785 299 G HN 0.337 nan 8.290 nan 0.000 0.536 300 H N -0.690 118.250 119.070 -0.216 0.000 2.520 300 H HA 0.186 4.742 4.556 -0.001 0.000 0.279 300 H C 0.575 175.684 175.328 -0.366 0.000 0.990 300 H CA 0.304 56.149 56.048 -0.337 0.000 1.288 300 H CB 0.352 29.706 29.762 -0.680 0.000 1.446 300 H HN 0.360 nan 8.280 nan 0.000 0.538 301 F N 1.386 121.270 119.950 -0.110 0.000 2.684 301 F HA 0.104 4.630 4.527 -0.001 0.000 0.298 301 F C 0.335 176.064 175.800 -0.118 0.000 1.120 301 F CA -0.729 57.230 58.000 -0.069 0.000 1.332 301 F CB -0.190 38.913 39.000 0.172 0.000 0.986 301 F HN 0.214 nan 8.300 nan 0.000 0.524 302 H N -1.196 117.867 119.070 -0.012 0.000 3.001 302 H HA 0.410 4.966 4.556 -0.001 0.000 0.334 302 H C 1.266 176.605 175.328 0.019 0.000 1.034 302 H CA 0.014 56.049 56.048 -0.021 0.000 1.420 302 H CB 0.494 30.216 29.762 -0.066 0.000 1.405 302 H HN 0.348 nan 8.280 nan 0.000 0.593 303 G N 1.690 110.551 108.800 0.102 0.000 2.199 303 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.254 303 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.254 303 G C 0.405 175.332 174.900 0.045 0.000 0.982 303 G CA 0.208 45.342 45.100 0.057 0.000 0.632 303 G HN 1.397 nan 8.290 nan 0.000 0.529 304 C N -2.340 117.013 119.300 0.090 0.000 3.181 304 C HA 0.600 5.060 4.460 -0.001 0.000 0.216 304 C C -0.174 174.968 174.990 0.254 0.000 1.834 304 C CA -1.459 57.647 59.018 0.147 0.000 1.208 304 C CB -1.334 26.486 27.740 0.134 0.000 2.103 304 C HN 0.554 nan 8.230 nan 0.000 0.579 305 F N 4.511 124.454 119.950 -0.011 0.000 2.451 305 F HA 0.410 4.936 4.527 -0.001 0.000 0.356 305 F C 0.641 176.309 175.800 -0.220 0.000 1.178 305 F CA -0.757 57.127 58.000 -0.194 0.000 1.210 305 F CB 0.351 39.236 39.000 -0.192 0.000 1.504 305 F HN 0.536 nan 8.300 nan 0.000 0.598 306 D N 3.548 123.755 120.400 -0.321 0.000 2.501 306 D HA 0.101 4.740 4.640 -0.001 0.000 0.226 306 D C -0.355 175.799 176.300 -0.244 0.000 1.198 306 D CA -0.132 53.725 54.000 -0.239 0.000 0.830 306 D CB -0.942 39.843 40.800 -0.024 0.000 1.014 306 D HN 0.215 nan 8.370 nan 0.000 0.496 307 F N -1.249 118.377 119.950 -0.540 0.000 2.598 307 F HA 0.621 5.147 4.527 -0.001 0.000 0.327 307 F C -0.308 175.194 175.800 -0.495 0.000 1.057 307 F CA -1.666 56.081 58.000 -0.422 0.000 0.957 307 F CB 0.956 39.780 39.000 -0.294 0.000 1.278 307 F HN -0.355 nan 8.300 nan 0.000 0.484 308 D N 1.868 122.221 120.400 -0.078 0.000 2.339 308 D HA 0.217 4.857 4.640 -0.001 0.000 0.241 308 D C 0.758 177.071 176.300 0.021 0.000 1.183 308 D CA -0.006 53.940 54.000 -0.091 0.000 0.859 308 D CB 1.095 41.862 40.800 -0.055 0.000 1.067 308 D HN 0.716 nan 8.370 nan 0.000 0.484 309 L N 2.607 123.857 121.223 0.045 0.000 2.362 309 L HA -0.074 4.265 4.340 -0.001 0.000 0.219 309 L C 0.924 177.844 176.870 0.083 0.000 1.134 309 L CA 0.681 55.613 54.840 0.153 0.000 0.807 309 L CB 0.087 42.303 42.059 0.263 0.000 0.927 309 L HN 0.361 nan 8.230 nan 0.000 0.447 310 D N -0.610 119.817 120.400 0.044 0.000 2.349 310 D HA -0.055 4.584 4.640 -0.001 0.000 0.224 310 D C 0.914 177.206 176.300 -0.014 0.000 1.029 310 D CA 0.584 54.600 54.000 0.027 0.000 0.879 310 D CB 0.128 40.941 40.800 0.022 0.000 0.906 310 D HN 0.158 nan 8.370 nan 0.000 0.528 311 N N -0.623 118.059 118.700 -0.031 0.000 2.241 311 N HA 0.028 4.768 4.740 -0.001 0.000 0.238 311 N C -1.128 174.310 175.510 -0.120 0.000 1.244 311 N CA 0.009 53.016 53.050 -0.073 0.000 0.880 311 N CB 0.870 39.322 38.487 -0.058 0.000 1.179 311 N HN -0.124 nan 8.380 nan 0.000 0.513 312 T N -0.630 113.844 114.554 -0.133 0.000 2.797 312 T HA 0.597 4.946 4.350 -0.001 0.000 0.279 312 T C -0.078 174.368 174.700 -0.422 0.000 0.991 312 T CA -0.665 61.291 62.100 -0.240 0.000 0.979 312 T CB 1.812 70.599 68.868 -0.134 0.000 0.943 312 T HN -0.073 nan 8.240 nan 0.000 0.444 313 L N 2.486 123.445 121.223 -0.441 0.000 2.334 313 L HA 0.510 4.849 4.340 -0.001 0.000 0.276 313 L C -1.006 175.780 176.870 -0.141 0.000 1.014 313 L CA -1.304 53.294 54.840 -0.404 0.000 0.815 313 L CB 1.160 43.104 42.059 -0.192 0.000 1.268 313 L HN 0.627 nan 8.230 nan 0.000 0.428 314 Y N 2.260 122.931 120.300 0.617 0.000 2.434 314 Y HA 0.430 4.979 4.550 -0.001 0.000 0.341 314 Y C -0.163 176.194 175.900 0.762 0.000 0.965 314 Y CA -0.812 57.639 58.100 0.585 0.000 1.205 314 Y CB 0.446 39.239 38.460 0.555 0.000 1.121 314 Y HN 0.223 nan 8.280 nan 0.000 0.507 315 F N 4.573 124.837 119.950 0.523 0.000 2.377 315 F HA 0.519 5.045 4.527 -0.001 0.000 0.328 315 F C -0.058 176.097 175.800 0.592 0.000 1.094 315 F CA -1.902 56.343 58.000 0.409 0.000 1.093 315 F CB 0.738 39.926 39.000 0.314 0.000 1.214 315 F HN 0.331 nan 8.300 nan 0.000 0.518 316 F N 1.570 121.721 119.950 0.336 0.000 2.631 316 F HA 0.728 5.254 4.527 -0.001 0.000 0.308 316 F C -1.820 173.854 175.800 -0.209 0.000 1.097 316 F CA -1.409 56.763 58.000 0.287 0.000 0.952 316 F CB 1.146 40.396 39.000 0.417 0.000 1.307 316 F HN 0.387 nan 8.300 nan 0.000 0.450 317 I N 2.426 122.840 120.570 -0.260 0.000 2.693 317 I HA 0.912 5.082 4.170 -0.001 0.000 0.303 317 I C -1.088 175.119 176.117 0.150 0.000 1.025 317 I CA -0.838 60.135 61.300 -0.546 0.000 1.086 317 I CB 1.785 39.297 38.000 -0.813 0.000 1.268 317 I HN 1.142 nan 8.210 nan 0.000 0.440 318 A N 4.017 127.014 122.820 0.295 0.000 2.609 318 A HA 0.947 5.266 4.320 -0.001 0.000 0.291 318 A C -0.493 177.236 177.584 0.242 0.000 1.096 318 A CA 0.097 52.364 52.037 0.384 0.000 0.684 318 A CB 1.387 20.803 19.000 0.693 0.000 1.282 318 A HN 1.348 nan 8.150 nan 0.000 0.412 319 G N -0.129 108.741 108.800 0.117 0.000 2.293 319 G HA2 0.289 4.248 3.960 -0.001 0.000 0.282 319 G HA3 0.289 4.248 3.960 -0.001 0.000 0.282 319 G C -0.894 174.036 174.900 0.051 0.000 1.299 319 G CA -0.742 44.397 45.100 0.066 0.000 1.018 319 G HN 0.817 nan 8.290 nan 0.000 0.478 320 R N -0.779 119.771 120.500 0.085 0.000 2.643 320 R HA 0.204 4.543 4.340 -0.001 0.000 0.270 320 R C -0.404 176.001 176.300 0.176 0.000 1.061 320 R CA -0.415 55.754 56.100 0.114 0.000 1.107 320 R CB 0.322 30.698 30.300 0.127 0.000 0.999 320 R HN 0.457 nan 8.270 nan 0.000 0.460 321 Y N 3.119 123.443 120.300 0.041 0.000 2.517 321 Y HA -0.001 4.548 4.550 -0.001 0.000 0.341 321 Y C -0.549 175.403 175.900 0.086 0.000 1.247 321 Y CA -0.162 57.981 58.100 0.071 0.000 1.774 321 Y CB -0.318 38.183 38.460 0.068 0.000 1.641 321 Y HN 0.451 nan 8.280 nan 0.000 0.457 322 E N 5.016 125.438 120.200 0.370 0.000 2.149 322 E HA 0.006 4.355 4.350 -0.001 0.000 0.255 322 E C 0.138 176.924 176.600 0.311 0.000 0.888 322 E CA -0.404 56.153 56.400 0.262 0.000 0.742 322 E CB 0.723 30.524 29.700 0.169 0.000 1.164 322 E HN 0.767 nan 8.360 nan 0.000 0.422 323 Y N 4.457 124.892 120.300 0.225 0.000 2.097 323 Y HA -0.331 4.218 4.550 -0.001 0.000 0.282 323 Y C 2.235 178.208 175.900 0.122 0.000 1.152 323 Y CA 1.922 60.150 58.100 0.213 0.000 1.136 323 Y CB 0.307 38.884 38.460 0.194 0.000 0.975 323 Y HN 0.298 nan 8.280 nan 0.000 0.498 324 K N 0.440 120.794 120.400 -0.077 0.000 2.021 324 K HA -0.097 4.222 4.320 -0.001 0.000 0.205 324 K C 1.746 178.341 176.600 -0.009 0.000 1.047 324 K CA 1.658 57.832 56.287 -0.188 0.000 0.943 324 K CB -0.321 32.129 32.500 -0.083 0.000 0.725 324 K HN 0.228 nan 8.250 nan 0.000 0.439 325 N N 0.735 119.497 118.700 0.102 0.000 2.069 325 N HA -0.135 4.605 4.740 -0.001 0.000 0.191 325 N C 1.021 176.635 175.510 0.174 0.000 1.031 325 N CA 1.270 54.439 53.050 0.199 0.000 0.852 325 N CB -0.126 38.474 38.487 0.188 0.000 1.018 325 N HN 0.054 nan 8.380 nan 0.000 0.423 326 K N -0.184 120.290 120.400 0.123 0.000 2.476 326 K HA 0.236 4.555 4.320 -0.001 0.000 0.196 326 K C 0.355 176.990 176.600 0.058 0.000 1.025 326 K CA 0.154 56.500 56.287 0.099 0.000 1.138 326 K CB -0.181 32.382 32.500 0.105 0.000 0.860 326 K HN 0.275 nan 8.250 nan 0.000 0.515 327 G N 0.039 108.857 108.800 0.030 0.000 2.246 327 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.273 327 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.273 327 G C 0.905 175.789 174.900 -0.026 0.000 1.055 327 G CA 0.357 45.449 45.100 -0.014 0.000 0.851 327 G HN 0.372 nan 8.290 nan 0.000 0.500 328 A N 0.743 123.527 122.820 -0.060 0.000 1.873 328 A HA 0.050 4.369 4.320 -0.001 0.000 0.215 328 A C 2.332 179.931 177.584 0.026 0.000 1.186 328 A CA 2.225 54.291 52.037 0.048 0.000 0.616 328 A CB -0.413 18.680 19.000 0.156 0.000 0.823 328 A HN 0.939 nan 8.150 nan 0.000 0.442 329 D N -0.089 120.143 120.400 -0.281 0.000 2.116 329 D HA -0.262 4.377 4.640 -0.001 0.000 0.193 329 D C 1.814 178.080 176.300 -0.057 0.000 0.998 329 D CA 1.855 55.746 54.000 -0.182 0.000 0.836 329 D CB -0.753 39.778 40.800 -0.448 0.000 0.951 329 D HN 0.449 nan 8.370 nan 0.000 0.449 330 M N -1.358 118.209 119.600 -0.056 0.000 2.374 330 M HA -0.040 4.439 4.480 -0.001 0.000 0.264 330 M C 1.760 178.112 176.300 0.086 0.000 1.067 330 M CA 0.734 56.036 55.300 0.003 0.000 1.103 330 M CB -0.119 32.483 32.600 0.003 0.000 1.402 330 M HN -0.008 nan 8.290 nan 0.000 0.444 331 F N 0.963 120.873 119.950 -0.066 0.000 2.149 331 F HA -0.072 4.454 4.527 -0.001 0.000 0.294 331 F C 1.777 177.560 175.800 -0.029 0.000 1.095 331 F CA 1.270 59.238 58.000 -0.055 0.000 1.276 331 F CB -0.395 38.563 39.000 -0.070 0.000 1.023 331 F HN -0.028 nan 8.300 nan 0.000 0.480 332 I N 0.046 120.525 120.570 -0.152 0.000 2.133 332 I HA -0.235 3.934 4.170 -0.001 0.000 0.238 332 I C 2.395 178.414 176.117 -0.165 0.000 1.074 332 I CA 1.621 62.773 61.300 -0.248 0.000 1.342 332 I CB -0.654 37.279 38.000 -0.112 0.000 1.053 332 I HN 0.085 nan 8.210 nan 0.000 0.404 333 E N 1.677 121.830 120.200 -0.078 0.000 2.065 333 E HA -0.276 4.074 4.350 -0.001 0.000 0.201 333 E C 2.056 178.619 176.600 -0.063 0.000 1.016 333 E CA 2.135 58.501 56.400 -0.057 0.000 0.818 333 E CB -0.285 29.396 29.700 -0.033 0.000 0.749 333 E HN 0.438 nan 8.360 nan 0.000 0.453 334 A N -0.450 122.339 122.820 -0.050 0.000 2.125 334 A HA -0.088 4.231 4.320 -0.001 0.000 0.219 334 A C 2.006 179.561 177.584 -0.048 0.000 1.156 334 A CA 1.079 53.099 52.037 -0.029 0.000 0.671 334 A CB -0.371 18.640 19.000 0.019 0.000 0.794 334 A HN 0.329 nan 8.150 nan 0.000 0.459 335 L N -0.995 120.151 121.223 -0.128 0.000 2.127 335 L HA 0.147 4.486 4.340 -0.001 0.000 0.203 335 L C 2.833 179.641 176.870 -0.102 0.000 1.080 335 L CA 1.631 56.376 54.840 -0.157 0.000 0.768 335 L CB -1.124 40.730 42.059 -0.341 0.000 0.924 335 L HN 0.342 nan 8.230 nan 0.000 0.444 336 A N -0.436 122.326 122.820 -0.097 0.000 1.908 336 A HA -0.253 4.067 4.320 -0.001 0.000 0.218 336 A C 2.438 180.019 177.584 -0.005 0.000 1.181 336 A CA 1.900 53.904 52.037 -0.054 0.000 0.627 336 A CB -0.476 18.490 19.000 -0.056 0.000 0.818 336 A HN 0.380 nan 8.150 nan 0.000 0.445 337 R N -1.242 119.249 120.500 -0.015 0.000 2.073 337 R HA -0.083 4.256 4.340 -0.001 0.000 0.234 337 R C 2.087 178.417 176.300 0.049 0.000 1.134 337 R CA 1.395 57.498 56.100 0.005 0.000 0.952 337 R CB -0.556 29.726 30.300 -0.030 0.000 0.850 337 R HN 0.482 nan 8.270 nan 0.000 0.433 338 L N 1.513 122.750 121.223 0.023 0.000 2.261 338 L HA -0.166 4.173 4.340 -0.001 0.000 0.216 338 L C 1.633 178.515 176.870 0.021 0.000 1.114 338 L CA 1.618 56.478 54.840 0.033 0.000 0.777 338 L CB -0.605 41.478 42.059 0.039 0.000 0.910 338 L HN 0.121 nan 8.230 nan 0.000 0.440 339 N N -0.778 117.930 118.700 0.012 0.000 2.006 339 N HA -0.300 4.439 4.740 -0.001 0.000 0.196 339 N C 1.830 177.363 175.510 0.038 0.000 1.057 339 N CA 2.078 55.128 53.050 0.001 0.000 0.853 339 N CB -0.762 37.727 38.487 0.003 0.000 1.051 339 N HN 0.495 nan 8.380 nan 0.000 0.423 340 Y N 1.772 122.050 120.300 -0.036 0.000 2.003 340 Y HA -0.340 4.209 4.550 -0.001 0.000 0.261 340 Y C 2.381 178.266 175.900 -0.025 0.000 1.211 340 Y CA 2.498 60.582 58.100 -0.026 0.000 1.098 340 Y CB -0.263 38.184 38.460 -0.021 0.000 0.925 340 Y HN 0.164 nan 8.280 nan 0.000 0.498 341 R N -0.229 120.404 120.500 0.222 0.000 2.211 341 R HA -0.197 4.143 4.340 -0.001 0.000 0.240 341 R C 2.026 178.338 176.300 0.021 0.000 1.144 341 R CA 1.591 57.762 56.100 0.118 0.000 0.992 341 R CB -0.481 29.875 30.300 0.093 0.000 0.869 341 R HN 0.460 nan 8.270 nan 0.000 0.462 342 L N -0.035 121.181 121.223 -0.012 0.000 2.316 342 L HA 0.001 4.340 4.340 -0.001 0.000 0.207 342 L C 2.230 179.053 176.870 -0.078 0.000 1.070 342 L CA 0.425 55.238 54.840 -0.045 0.000 0.820 342 L CB -0.190 41.834 42.059 -0.058 0.000 0.992 342 L HN 0.009 nan 8.230 nan 0.000 0.466 343 K N 0.455 120.790 120.400 -0.107 0.000 1.969 343 K HA -0.146 4.173 4.320 -0.001 0.000 0.216 343 K C 1.940 178.441 176.600 -0.165 0.000 1.048 343 K CA 1.334 57.532 56.287 -0.147 0.000 0.948 343 K CB -0.744 31.634 32.500 -0.204 0.000 0.726 343 K HN 0.070 nan 8.250 nan 0.000 0.442 344 V N 2.259 122.029 119.914 -0.240 0.000 2.794 344 V HA -0.187 3.932 4.120 -0.001 0.000 0.260 344 V C 2.137 178.176 176.094 -0.093 0.000 1.103 344 V CA 2.101 64.277 62.300 -0.207 0.000 1.125 344 V CB -0.693 30.978 31.823 -0.252 0.000 0.702 344 V HN 0.449 nan 8.190 nan 0.000 0.494 345 S N -0.632 115.027 115.700 -0.067 0.000 2.557 345 S HA 0.313 4.783 4.470 -0.001 0.000 0.223 345 S C 1.435 176.007 174.600 -0.047 0.000 0.969 345 S CA 0.356 58.532 58.200 -0.040 0.000 0.927 345 S CB 0.482 63.669 63.200 -0.021 0.000 0.806 345 S HN 1.045 nan 8.310 nan 0.000 0.489 346 G N 1.713 110.476 108.800 -0.063 0.000 2.393 346 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.299 346 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.299 346 G C 0.013 174.882 174.900 -0.053 0.000 0.990 346 G CA 0.502 45.567 45.100 -0.059 0.000 1.118 346 G HN 0.767 nan 8.290 nan 0.000 0.513 347 S N -0.991 114.675 115.700 -0.058 0.000 2.579 347 S HA 0.412 4.881 4.470 -0.001 0.000 0.275 347 S C 1.768 176.329 174.600 -0.064 0.000 1.345 347 S CA 0.548 58.714 58.200 -0.057 0.000 1.031 347 S CB 0.472 63.637 63.200 -0.059 0.000 0.892 347 S HN 0.673 nan 8.310 nan 0.000 0.529 348 K N 2.253 122.615 120.400 -0.062 0.000 2.356 348 K HA 0.234 4.553 4.320 -0.001 0.000 0.195 348 K C 0.276 176.829 176.600 -0.078 0.000 1.037 348 K CA 0.363 56.613 56.287 -0.063 0.000 1.014 348 K CB 0.053 32.521 32.500 -0.053 0.000 0.815 348 K HN 0.286 nan 8.250 nan 0.000 0.507 349 K N 1.182 121.525 120.400 -0.094 0.000 2.090 349 K HA 0.255 4.574 4.320 -0.001 0.000 0.250 349 K C -0.615 175.882 176.600 -0.170 0.000 1.004 349 K CA -0.352 55.861 56.287 -0.124 0.000 0.919 349 K CB 1.440 33.865 32.500 -0.125 0.000 1.045 349 K HN -0.094 nan 8.250 nan 0.000 0.471 350 T N 0.455 114.875 114.554 -0.223 0.000 2.876 350 T HA 0.360 4.709 4.350 -0.001 0.000 0.289 350 T C -1.047 173.428 174.700 -0.375 0.000 1.014 350 T CA -0.768 61.128 62.100 -0.340 0.000 0.986 350 T CB 1.577 70.137 68.868 -0.514 0.000 1.021 350 T HN 0.139 nan 8.240 nan 0.000 0.458 351 V N 3.217 122.885 119.914 -0.410 0.000 2.350 351 V HA 0.390 4.509 4.120 -0.001 0.000 0.285 351 V C -0.295 175.575 176.094 -0.372 0.000 1.014 351 V CA -0.747 61.266 62.300 -0.478 0.000 0.831 351 V CB 1.605 33.049 31.823 -0.632 0.000 1.000 351 V HN 0.757 nan 8.190 nan 0.000 0.433 352 V N 4.716 124.500 119.914 -0.216 0.000 2.333 352 V HA 0.656 4.775 4.120 -0.001 0.000 0.274 352 V C 0.573 176.656 176.094 -0.019 0.000 1.028 352 V CA -0.389 61.864 62.300 -0.078 0.000 0.851 352 V CB 1.380 33.292 31.823 0.149 0.000 1.000 352 V HN 0.924 nan 8.190 nan 0.000 0.456 353 A N 6.049 128.820 122.820 -0.082 0.000 2.249 353 A HA 0.811 5.130 4.320 -0.001 0.000 0.314 353 A C -0.655 177.008 177.584 0.133 0.000 1.290 353 A CA -0.354 51.775 52.037 0.153 0.000 0.893 353 A CB 0.118 19.175 19.000 0.094 0.000 1.165 353 A HN 0.610 nan 8.150 nan 0.000 0.530 354 F N 1.627 121.873 119.950 0.494 0.000 2.375 354 F HA 0.507 5.033 4.527 -0.001 0.000 0.333 354 F C 0.541 176.623 175.800 0.470 0.000 1.104 354 F CA -0.329 57.938 58.000 0.445 0.000 1.149 354 F CB 1.256 40.540 39.000 0.473 0.000 1.190 354 F HN 0.330 nan 8.300 nan 0.000 0.533 355 I N 3.130 124.032 120.570 0.554 0.000 2.382 355 I HA 0.235 4.404 4.170 -0.001 0.000 0.285 355 I C -0.987 175.367 176.117 0.396 0.000 1.007 355 I CA -0.618 60.931 61.300 0.414 0.000 1.142 355 I CB 1.519 39.624 38.000 0.175 0.000 1.289 355 I HN 0.227 nan 8.210 nan 0.000 0.453 356 V N 7.677 127.772 119.914 0.301 0.000 2.192 356 V HA 0.367 4.486 4.120 -0.001 0.000 0.264 356 V C 0.128 176.276 176.094 0.091 0.000 1.155 356 V CA -0.049 62.357 62.300 0.177 0.000 1.005 356 V CB 0.073 31.955 31.823 0.098 0.000 1.201 356 V HN 0.659 nan 8.190 nan 0.000 0.468 357 M N 4.936 124.596 119.600 0.099 0.000 2.093 357 M HA 0.418 4.897 4.480 -0.001 0.000 0.297 357 M C -2.855 173.408 176.300 -0.061 0.000 0.938 357 M CA -1.714 53.566 55.300 -0.033 0.000 0.920 357 M CB 2.811 35.304 32.600 -0.178 0.000 1.517 357 M HN 0.151 nan 8.290 nan 0.000 0.427 358 P HA 0.127 nan 4.420 nan 0.000 0.263 358 P C -0.996 176.307 177.300 0.006 0.000 1.195 358 P CA 0.225 63.147 63.100 -0.296 0.000 0.762 358 P CB 0.576 31.886 31.700 -0.651 0.000 0.799 359 A N 3.410 126.229 122.820 -0.002 0.000 2.485 359 A HA 0.584 4.904 4.320 -0.001 0.000 0.292 359 A C -0.635 176.956 177.584 0.012 0.000 1.147 359 A CA -0.763 51.359 52.037 0.142 0.000 0.750 359 A CB 1.083 20.265 19.000 0.304 0.000 1.331 359 A HN 0.213 nan 8.150 nan 0.000 0.419 360 K N 1.590 122.008 120.400 0.030 0.000 2.412 360 K HA 0.189 4.509 4.320 -0.001 0.000 0.284 360 K C -0.513 176.076 176.600 -0.018 0.000 1.046 360 K CA 0.460 56.748 56.287 0.002 0.000 0.999 360 K CB -0.188 32.315 32.500 0.006 0.000 0.941 360 K HN 0.856 nan 8.250 nan 0.000 0.474 361 N N 0.515 119.197 118.700 -0.030 0.000 2.825 361 N HA 0.248 4.987 4.740 -0.001 0.000 0.253 361 N C -1.181 174.311 175.510 -0.030 0.000 1.426 361 N CA -0.864 52.164 53.050 -0.036 0.000 0.851 361 N CB 0.824 39.278 38.487 -0.056 0.000 1.470 361 N HN 0.139 nan 8.380 nan 0.000 0.517 362 N N 0.635 119.311 118.700 -0.039 0.000 2.918 362 N HA 0.245 4.984 4.740 -0.001 0.000 0.270 362 N C -0.853 174.597 175.510 -0.099 0.000 1.536 362 N CA -0.116 52.905 53.050 -0.047 0.000 0.877 362 N CB 0.631 39.100 38.487 -0.029 0.000 1.190 362 N HN 0.690 nan 8.380 nan 0.000 0.492 363 S N 0.117 115.720 115.700 -0.162 0.000 3.018 363 S HA -0.263 4.206 4.470 -0.001 0.000 0.636 363 S C 0.028 174.262 174.600 -0.610 0.000 2.973 363 S CA 0.317 58.274 58.200 -0.405 0.000 3.169 363 S CB -0.366 62.740 63.200 -0.157 0.000 0.332 363 S HN 0.387 nan 8.310 nan 0.000 1.796 364 F N 1.633 121.266 119.950 -0.529 0.000 2.545 364 F HA 0.294 4.820 4.527 -0.001 0.000 0.348 364 F C 1.544 177.218 175.800 -0.210 0.000 1.163 364 F CA 0.351 58.050 58.000 -0.502 0.000 1.331 364 F CB 0.037 38.845 39.000 -0.319 0.000 1.138 364 F HN 0.559 nan 8.300 nan 0.000 0.602 365 T N -0.843 113.745 114.554 0.056 0.000 2.907 365 T HA 0.166 4.515 4.350 -0.001 0.000 0.298 365 T C 1.073 175.811 174.700 0.063 0.000 1.017 365 T CA -0.926 61.206 62.100 0.053 0.000 1.118 365 T CB 1.312 70.219 68.868 0.065 0.000 0.948 365 T HN 0.437 nan 8.240 nan 0.000 0.531 366 V N 2.127 122.064 119.914 0.038 0.000 2.278 366 V HA -0.235 3.884 4.120 -0.001 0.000 0.251 366 V C 2.807 178.919 176.094 0.031 0.000 1.062 366 V CA 2.616 64.933 62.300 0.028 0.000 1.038 366 V CB -0.842 30.991 31.823 0.017 0.000 0.646 366 V HN 1.125 nan 8.190 nan 0.000 0.447 367 E N -0.489 119.732 120.200 0.035 0.000 2.058 367 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 367 E C 2.190 178.819 176.600 0.048 0.000 0.997 367 E CA 1.491 57.911 56.400 0.034 0.000 0.801 367 E CB -0.265 29.446 29.700 0.019 0.000 0.746 367 E HN 0.615 nan 8.360 nan 0.000 0.450 368 A N 0.835 123.704 122.820 0.082 0.000 1.898 368 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 368 A C 2.208 179.851 177.584 0.098 0.000 1.181 368 A CA 0.922 53.044 52.037 0.141 0.000 0.620 368 A CB -0.585 18.574 19.000 0.264 0.000 0.819 368 A HN 0.304 nan 8.150 nan 0.000 0.442 369 L N -0.435 120.820 121.223 0.052 0.000 2.017 369 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 369 L C 2.686 179.542 176.870 -0.024 0.000 1.073 369 L CA 2.042 56.874 54.840 -0.013 0.000 0.745 369 L CB -0.449 41.596 42.059 -0.023 0.000 0.894 369 L HN 0.526 nan 8.230 nan 0.000 0.432 370 K N 0.358 120.748 120.400 -0.017 0.000 2.009 370 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 370 K C 2.031 178.560 176.600 -0.117 0.000 1.049 370 K CA 1.668 57.923 56.287 -0.055 0.000 0.929 370 K CB -0.465 32.012 32.500 -0.038 0.000 0.714 370 K HN 0.310 nan 8.250 nan 0.000 0.440 371 G N 0.848 109.603 108.800 -0.075 0.000 2.503 371 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.221 371 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.221 371 G C 1.430 176.242 174.900 -0.147 0.000 1.131 371 G CA 0.732 45.734 45.100 -0.165 0.000 0.756 371 G HN 0.366 nan 8.290 nan 0.000 0.572 372 Q N 0.137 119.900 119.800 -0.061 0.000 2.096 372 Q HA 0.153 4.492 4.340 -0.001 0.000 0.197 372 Q C 2.972 178.930 176.000 -0.070 0.000 0.964 372 Q CA 1.168 56.945 55.803 -0.043 0.000 0.838 372 Q CB -0.592 28.145 28.738 -0.002 0.000 0.906 372 Q HN 0.454 nan 8.270 nan 0.000 0.444 373 A N 1.419 124.190 122.820 -0.081 0.000 1.969 373 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 373 A C 1.929 179.460 177.584 -0.089 0.000 1.169 373 A CA 1.154 53.146 52.037 -0.075 0.000 0.635 373 A CB -0.122 18.837 19.000 -0.068 0.000 0.810 373 A HN 0.185 nan 8.150 nan 0.000 0.445 374 E N -0.132 119.988 120.200 -0.134 0.000 2.158 374 E HA -0.057 4.293 4.350 -0.001 0.000 0.191 374 E C 2.098 178.625 176.600 -0.121 0.000 0.982 374 E CA 1.179 57.492 56.400 -0.144 0.000 0.823 374 E CB -0.387 29.177 29.700 -0.228 0.000 0.766 374 E HN 0.434 nan 8.360 nan 0.000 0.468 375 V N 1.144 120.982 119.914 -0.127 0.000 2.548 375 V HA -0.158 3.961 4.120 -0.001 0.000 0.249 375 V C 2.323 178.383 176.094 -0.057 0.000 1.055 375 V CA 1.200 63.449 62.300 -0.086 0.000 1.065 375 V CB -0.437 31.335 31.823 -0.083 0.000 0.681 375 V HN 0.039 nan 8.190 nan 0.000 0.462 376 R N 0.900 121.367 120.500 -0.055 0.000 2.073 376 R HA -0.057 4.282 4.340 -0.001 0.000 0.234 376 R C 2.411 178.690 176.300 -0.034 0.000 1.134 376 R CA 1.691 57.766 56.100 -0.041 0.000 0.952 376 R CB -1.066 29.210 30.300 -0.040 0.000 0.850 376 R HN 0.501 nan 8.270 nan 0.000 0.433 377 A N 0.514 123.310 122.820 -0.040 0.000 1.908 377 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 377 A C 2.021 179.594 177.584 -0.019 0.000 1.181 377 A CA 1.501 53.521 52.037 -0.029 0.000 0.627 377 A CB -0.742 18.235 19.000 -0.038 0.000 0.818 377 A HN 0.278 nan 8.150 nan 0.000 0.445 378 L N 0.192 121.400 121.223 -0.026 0.000 1.970 378 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 378 L C 2.281 179.153 176.870 0.002 0.000 1.071 378 L CA 2.618 57.450 54.840 -0.013 0.000 0.751 378 L CB -0.917 41.130 42.059 -0.020 0.000 0.889 378 L HN 0.564 nan 8.230 nan 0.000 0.432 379 E N -0.508 119.690 120.200 -0.004 0.000 2.065 379 E HA -0.298 4.051 4.350 -0.001 0.000 0.201 379 E C 1.931 178.549 176.600 0.030 0.000 1.016 379 E CA 1.731 58.135 56.400 0.006 0.000 0.818 379 E CB -0.343 29.348 29.700 -0.015 0.000 0.749 379 E HN 0.536 nan 8.360 nan 0.000 0.453 380 N N -0.178 118.534 118.700 0.019 0.000 2.166 380 N HA -0.097 4.642 4.740 -0.001 0.000 0.186 380 N C 1.792 177.347 175.510 0.075 0.000 1.019 380 N CA 1.372 54.451 53.050 0.048 0.000 0.856 380 N CB -0.477 38.023 38.487 0.020 0.000 0.993 380 N HN 0.090 nan 8.380 nan 0.000 0.426 381 T N 0.297 114.876 114.554 0.041 0.000 2.737 381 T HA -0.021 4.328 4.350 -0.001 0.000 0.265 381 T C 2.092 176.815 174.700 0.038 0.000 1.038 381 T CA 0.847 62.965 62.100 0.031 0.000 1.144 381 T CB -0.282 68.593 68.868 0.012 0.000 0.866 381 T HN -0.035 nan 8.240 nan 0.000 0.434 382 V N 1.118 121.059 119.914 0.046 0.000 2.332 382 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 382 V C 2.247 178.382 176.094 0.068 0.000 1.055 382 V CA 2.088 64.416 62.300 0.046 0.000 1.038 382 V CB -0.791 31.060 31.823 0.046 0.000 0.651 382 V HN 0.534 nan 8.190 nan 0.000 0.450 383 H N 0.857 119.925 119.070 -0.004 0.000 2.251 383 H HA -0.209 4.346 4.556 -0.002 0.000 0.294 383 H C 2.310 177.635 175.328 -0.004 0.000 1.078 383 H CA 2.496 58.541 56.048 -0.004 0.000 1.246 383 H CB -0.295 29.464 29.762 -0.006 0.000 1.358 383 H HN 0.495 nan 8.280 nan 0.000 0.488 384 E N -0.679 119.501 120.200 -0.032 0.000 2.086 384 E HA -0.232 4.117 4.350 -0.001 0.000 0.205 384 E C 2.434 178.978 176.600 -0.093 0.000 1.027 384 E CA 1.838 58.186 56.400 -0.087 0.000 0.830 384 E CB -0.265 29.429 29.700 -0.010 0.000 0.751 384 E HN 0.295 nan 8.360 nan 0.000 0.456 385 V N 0.977 120.862 119.914 -0.048 0.000 2.307 385 V HA -0.266 3.853 4.120 -0.001 0.000 0.245 385 V C 2.777 178.842 176.094 -0.049 0.000 1.045 385 V CA 2.183 64.461 62.300 -0.036 0.000 1.024 385 V CB -0.831 30.984 31.823 -0.014 0.000 0.651 385 V HN 0.563 nan 8.190 nan 0.000 0.449 386 T N -1.321 113.200 114.554 -0.055 0.000 2.737 386 T HA -0.236 4.113 4.350 -0.001 0.000 0.265 386 T C 1.969 176.620 174.700 -0.082 0.000 1.038 386 T CA 2.214 64.283 62.100 -0.051 0.000 1.144 386 T CB -0.951 67.902 68.868 -0.026 0.000 0.866 386 T HN 0.599 nan 8.240 nan 0.000 0.434 387 T N -0.621 113.834 114.554 -0.164 0.000 2.929 387 T HA -0.016 4.334 4.350 -0.001 0.000 0.271 387 T C 2.262 176.904 174.700 -0.098 0.000 1.085 387 T CA 1.490 63.492 62.100 -0.164 0.000 1.125 387 T CB -0.868 67.831 68.868 -0.282 0.000 0.874 387 T HN 0.353 nan 8.240 nan 0.000 0.494 388 S N 0.635 116.286 115.700 -0.081 0.000 2.371 388 S HA 0.165 4.634 4.470 -0.001 0.000 0.224 388 S C 1.865 176.452 174.600 -0.021 0.000 1.029 388 S CA 0.832 59.006 58.200 -0.043 0.000 0.978 388 S CB -0.408 62.770 63.200 -0.037 0.000 0.833 388 S HN 0.557 nan 8.310 nan 0.000 0.466 389 I N 1.183 121.740 120.570 -0.023 0.000 2.163 389 I HA -0.179 3.991 4.170 -0.001 0.000 0.243 389 I C 2.637 178.760 176.117 0.010 0.000 1.085 389 I CA 1.245 62.540 61.300 -0.008 0.000 1.347 389 I CB -0.906 37.087 38.000 -0.011 0.000 1.044 389 I HN 0.373 nan 8.210 nan 0.000 0.408 390 G N 0.742 109.545 108.800 0.006 0.000 2.459 390 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.217 390 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.217 390 G C 1.718 176.661 174.900 0.072 0.000 1.183 390 G CA 0.662 45.781 45.100 0.033 0.000 0.776 390 G HN 0.289 nan 8.290 nan 0.000 0.552 391 K N -0.044 120.377 120.400 0.035 0.000 2.211 391 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 391 K C 2.686 179.356 176.600 0.116 0.000 1.047 391 K CA 0.871 57.195 56.287 0.063 0.000 0.935 391 K CB -0.101 32.407 32.500 0.012 0.000 0.728 391 K HN 0.234 nan 8.250 nan 0.000 0.452 392 R N 0.024 120.571 120.500 0.077 0.000 2.173 392 R HA 0.121 4.461 4.340 -0.001 0.000 0.208 392 R C 2.248 178.599 176.300 0.084 0.000 1.035 392 R CA 0.391 56.534 56.100 0.072 0.000 1.004 392 R CB 0.049 30.366 30.300 0.027 0.000 0.917 392 R HN 0.152 nan 8.270 nan 0.000 0.462 393 I N 0.107 120.728 120.570 0.084 0.000 2.202 393 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 393 I C 2.144 178.336 176.117 0.125 0.000 1.091 393 I CA 1.290 62.640 61.300 0.083 0.000 1.368 393 I CB -0.299 37.739 38.000 0.063 0.000 1.058 393 I HN 0.063 nan 8.210 nan 0.000 0.410 394 F N 2.208 122.174 119.950 0.027 0.000 2.069 394 F HA -0.299 4.228 4.527 -0.001 0.000 0.298 394 F C 1.938 177.761 175.800 0.038 0.000 1.113 394 F CA 2.110 60.124 58.000 0.023 0.000 1.214 394 F CB -0.362 38.645 39.000 0.011 0.000 0.978 394 F HN 0.039 nan 8.300 nan 0.000 0.474 395 D N -1.702 118.842 120.400 0.241 0.000 2.351 395 D HA -0.191 4.448 4.640 -0.001 0.000 0.216 395 D C 2.048 178.383 176.300 0.059 0.000 0.968 395 D CA 0.934 55.022 54.000 0.146 0.000 0.899 395 D CB -0.159 40.747 40.800 0.177 0.000 0.907 395 D HN 0.462 nan 8.370 nan 0.000 0.514 396 H N -0.473 118.567 119.070 -0.049 0.000 2.344 396 H HA 0.110 4.665 4.556 -0.001 0.000 0.307 396 H C 2.064 177.323 175.328 -0.114 0.000 1.057 396 H CA 1.082 57.101 56.048 -0.049 0.000 1.373 396 H CB 0.134 29.868 29.762 -0.047 0.000 1.421 396 H HN 0.129 nan 8.280 nan 0.000 0.532 397 A N 1.781 124.464 122.820 -0.228 0.000 1.849 397 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 397 A C 2.422 179.812 177.584 -0.324 0.000 1.202 397 A CA 1.905 53.731 52.037 -0.351 0.000 0.629 397 A CB -1.119 17.696 19.000 -0.309 0.000 0.834 397 A HN 0.451 nan 8.150 nan 0.000 0.447 398 I N -0.853 119.442 120.570 -0.459 0.000 2.236 398 I HA -0.213 3.956 4.170 -0.001 0.000 0.249 398 I C 2.126 178.151 176.117 -0.154 0.000 1.102 398 I CA 1.727 62.811 61.300 -0.359 0.000 1.365 398 I CB -0.265 37.428 38.000 -0.511 0.000 1.051 398 I HN 0.222 nan 8.210 nan 0.000 0.420 399 R N -0.965 119.463 120.500 -0.120 0.000 2.313 399 R HA 0.027 4.366 4.340 -0.001 0.000 0.199 399 R C -0.317 175.975 176.300 -0.014 0.000 0.958 399 R CA -0.052 56.020 56.100 -0.047 0.000 1.047 399 R CB -0.654 29.634 30.300 -0.020 0.000 0.955 399 R HN 0.240 nan 8.270 nan 0.000 0.481 400 Y N 1.138 121.310 120.300 -0.213 0.000 2.442 400 Y HA 0.180 4.729 4.550 -0.002 0.000 0.330 400 Y C -1.338 174.489 175.900 -0.121 0.000 1.129 400 Y CA -2.798 55.184 58.100 -0.196 0.000 1.365 400 Y CB 0.167 38.493 38.460 -0.223 0.000 1.233 400 Y HN 0.140 nan 8.280 nan 0.000 0.529 416 L N 2.475 123.681 121.223 -0.029 0.000 2.554 416 L HA 0.229 4.568 4.340 -0.001 0.000 0.226 416 L C 0.557 177.414 176.870 -0.021 0.000 1.137 416 L CA 0.608 55.429 54.840 -0.031 0.000 0.863 416 L CB 0.262 42.302 42.059 -0.032 0.000 0.985 416 L HN 0.422 nan 8.230 nan 0.000 0.451 417 L N 1.559 122.771 121.223 -0.017 0.000 2.260 417 L HA 0.182 4.521 4.340 -0.001 0.000 0.289 417 L C 0.429 177.292 176.870 -0.012 0.000 1.057 417 L CA -0.345 54.487 54.840 -0.013 0.000 0.811 417 L CB 0.841 42.894 42.059 -0.010 0.000 1.184 417 L HN 0.131 nan 8.230 nan 0.000 0.429 418 K N 1.030 121.424 120.400 -0.010 0.000 2.132 418 K HA 0.137 4.456 4.320 -0.001 0.000 0.240 418 K C 1.054 177.650 176.600 -0.007 0.000 1.036 418 K CA -0.123 56.158 56.287 -0.008 0.000 0.888 418 K CB 0.401 32.897 32.500 -0.007 0.000 1.071 418 K HN 0.555 nan 8.250 nan 0.000 0.502 419 S N -0.596 115.100 115.700 -0.006 0.000 2.453 419 S HA -0.151 4.319 4.470 -0.001 0.000 0.231 419 S C 2.087 176.685 174.600 -0.004 0.000 1.005 419 S CA 1.034 59.231 58.200 -0.005 0.000 0.949 419 S CB -0.162 63.036 63.200 -0.004 0.000 0.774 419 S HN 0.655 nan 8.310 nan 0.000 0.510 420 S N 2.033 117.730 115.700 -0.004 0.000 2.368 420 S HA -0.156 4.313 4.470 -0.001 0.000 0.225 420 S C 1.458 176.055 174.600 -0.005 0.000 1.030 420 S CA 1.612 59.810 58.200 -0.004 0.000 0.999 420 S CB -0.660 62.538 63.200 -0.004 0.000 0.844 420 S HN 0.596 nan 8.310 nan 0.000 0.459 421 D N 0.771 121.168 120.400 -0.006 0.000 2.183 421 D HA -0.002 4.637 4.640 -0.001 0.000 0.203 421 D C 1.966 178.263 176.300 -0.004 0.000 0.969 421 D CA 0.769 54.765 54.000 -0.006 0.000 0.842 421 D CB -0.189 40.606 40.800 -0.009 0.000 0.957 421 D HN 0.462 nan 8.370 nan 0.000 0.484 422 K N 0.556 120.954 120.400 -0.004 0.000 2.097 422 K HA -0.050 4.269 4.320 -0.001 0.000 0.205 422 K C 2.165 178.763 176.600 -0.002 0.000 1.050 422 K CA 0.434 56.720 56.287 -0.003 0.000 0.938 422 K CB 0.089 32.587 32.500 -0.003 0.000 0.718 422 K HN -0.015 nan 8.250 nan 0.000 0.442 423 V N 2.636 122.549 119.914 -0.003 0.000 2.223 423 V HA -0.310 3.809 4.120 -0.001 0.000 0.244 423 V C 2.411 178.503 176.094 -0.003 0.000 1.045 423 V CA 2.178 64.476 62.300 -0.002 0.000 1.000 423 V CB -0.581 31.240 31.823 -0.003 0.000 0.635 423 V HN 0.424 nan 8.190 nan 0.000 0.445 424 M N -0.824 118.774 119.600 -0.003 0.000 2.202 424 M HA -0.172 4.307 4.480 -0.001 0.000 0.262 424 M C 2.196 178.494 176.300 -0.002 0.000 1.063 424 M CA 2.040 57.338 55.300 -0.003 0.000 1.097 424 M CB -0.877 31.721 32.600 -0.003 0.000 1.382 424 M HN 0.191 nan 8.290 nan 0.000 0.413 425 L N 0.486 121.708 121.223 -0.001 0.000 1.994 425 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 425 L C 2.866 179.736 176.870 0.001 0.000 1.071 425 L CA 1.713 56.554 54.840 0.001 0.000 0.745 425 L CB -0.582 41.479 42.059 0.002 0.000 0.892 425 L HN 0.386 nan 8.230 nan 0.000 0.431 426 K N -0.135 120.266 120.400 0.000 0.000 2.020 426 K HA -0.275 4.044 4.320 -0.001 0.000 0.212 426 K C 2.250 178.849 176.600 -0.000 0.000 1.050 426 K CA 1.726 58.014 56.287 0.001 0.000 0.929 426 K CB -0.111 32.389 32.500 0.000 0.000 0.714 426 K HN 0.069 nan 8.250 nan 0.000 0.443 427 R N 0.308 120.806 120.500 -0.003 0.000 2.115 427 R HA -0.175 4.164 4.340 -0.001 0.000 0.239 427 R C 2.291 178.585 176.300 -0.009 0.000 1.133 427 R CA 1.829 57.926 56.100 -0.006 0.000 0.935 427 R CB -0.059 30.236 30.300 -0.007 0.000 0.853 427 R HN 0.103 nan 8.270 nan 0.000 0.433 428 R N 0.430 120.924 120.500 -0.010 0.000 2.083 428 R HA -0.136 4.203 4.340 -0.001 0.000 0.237 428 R C 2.360 178.652 176.300 -0.013 0.000 1.137 428 R CA 1.677 57.768 56.100 -0.016 0.000 0.951 428 R CB -0.832 29.461 30.300 -0.013 0.000 0.851 428 R HN 0.415 nan 8.270 nan 0.000 0.434 429 I N 1.120 121.689 120.570 -0.002 0.000 2.151 429 I HA -0.317 3.852 4.170 -0.001 0.000 0.243 429 I C 2.459 178.582 176.117 0.009 0.000 1.080 429 I CA 1.393 62.697 61.300 0.007 0.000 1.339 429 I CB -0.493 37.514 38.000 0.012 0.000 1.039 429 I HN 0.074 nan 8.210 nan 0.000 0.409 430 L N 0.760 121.986 121.223 0.005 0.000 2.042 430 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 430 L C 2.832 179.704 176.870 0.003 0.000 1.076 430 L CA 1.383 56.227 54.840 0.006 0.000 0.749 430 L CB -0.775 41.286 42.059 0.003 0.000 0.893 430 L HN 0.271 nan 8.230 nan 0.000 0.432 431 A N -0.222 122.590 122.820 -0.013 0.000 2.131 431 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 431 A C 2.143 179.703 177.584 -0.040 0.000 1.158 431 A CA 1.288 53.306 52.037 -0.032 0.000 0.665 431 A CB -0.623 18.345 19.000 -0.053 0.000 0.795 431 A HN 0.446 nan 8.150 nan 0.000 0.460 432 L N -1.195 120.023 121.223 -0.008 0.000 2.554 432 L HA 0.056 4.396 4.340 -0.001 0.000 0.226 432 L C 1.388 178.364 176.870 0.178 0.000 1.137 432 L CA -0.208 54.660 54.840 0.047 0.000 0.863 432 L CB -0.280 41.815 42.059 0.060 0.000 0.985 432 L HN 0.348 nan 8.230 nan 0.000 0.451 433 R N 1.526 122.083 120.500 0.094 0.000 2.504 433 R HA -0.028 4.312 4.340 -0.001 0.000 0.291 433 R C -0.091 176.268 176.300 0.098 0.000 0.974 433 R CA -0.136 56.012 56.100 0.081 0.000 1.077 433 R CB 0.426 30.752 30.300 0.043 0.000 0.926 433 R HN -0.031 nan 8.270 nan 0.000 0.407 434 R N 5.413 125.949 120.500 0.059 0.000 2.234 434 R HA 0.249 4.588 4.340 -0.001 0.000 0.324 434 R C -2.085 174.220 176.300 0.009 0.000 1.054 434 R CA -2.412 53.695 56.100 0.012 0.000 0.912 434 R CB 0.586 30.858 30.300 -0.047 0.000 1.030 434 R HN 0.583 nan 8.270 nan 0.000 0.455 435 P HA -0.133 nan 4.420 nan 0.000 0.269 435 P C -0.499 176.797 177.300 -0.006 0.000 1.185 435 P CA 0.162 63.263 63.100 0.001 0.000 0.769 435 P CB 0.465 32.164 31.700 -0.002 0.000 0.809 436 E N 1.108 121.305 120.200 -0.005 0.000 2.603 436 E HA 0.233 4.582 4.350 -0.001 0.000 0.242 436 E C 1.455 178.047 176.600 -0.013 0.000 1.083 436 E CA 1.695 58.091 56.400 -0.007 0.000 0.950 436 E CB -1.018 28.678 29.700 -0.006 0.000 0.952 436 E HN 0.677 nan 8.360 nan 0.000 0.498 437 G N 3.313 112.105 108.800 -0.013 0.000 2.184 437 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.264 437 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.264 437 G C 0.339 175.222 174.900 -0.028 0.000 0.975 437 G CA 0.451 45.540 45.100 -0.019 0.000 0.642 437 G HN 0.605 nan 8.290 nan 0.000 0.536 438 Q N 0.288 120.069 119.800 -0.032 0.000 2.364 438 Q HA 0.565 4.904 4.340 -0.001 0.000 0.267 438 Q C 0.036 176.004 176.000 -0.053 0.000 0.999 438 Q CA -0.160 55.617 55.803 -0.044 0.000 0.886 438 Q CB 0.335 29.046 28.738 -0.045 0.000 1.243 438 Q HN 0.471 nan 8.270 nan 0.000 0.415 439 L N 5.102 126.294 121.223 -0.051 0.000 2.330 439 L HA 0.528 4.867 4.340 -0.001 0.000 0.271 439 L C -2.143 174.665 176.870 -0.103 0.000 1.013 439 L CA -2.726 52.089 54.840 -0.042 0.000 0.816 439 L CB 1.839 43.910 42.059 0.020 0.000 1.287 439 L HN 0.673 nan 8.230 nan 0.000 0.435 440 P HA 0.081 nan 4.420 nan 0.000 0.264 440 P C -2.454 174.722 177.300 -0.208 0.000 1.193 440 P CA -0.656 62.198 63.100 -0.410 0.000 0.763 440 P CB -0.127 31.154 31.700 -0.699 0.000 0.810 441 P HA 0.053 nan 4.420 nan 0.000 0.271 441 P C 0.664 178.099 177.300 0.224 0.000 1.233 441 P CA 0.111 63.249 63.100 0.063 0.000 0.789 441 P CB 0.241 31.993 31.700 0.087 0.000 0.951 442 I N -2.245 118.455 120.570 0.218 0.000 3.928 442 I HA 0.271 4.440 4.170 -0.001 0.000 0.335 442 I C -0.529 175.740 176.117 0.254 0.000 1.325 442 I CA -0.091 61.339 61.300 0.217 0.000 1.107 442 I CB 0.155 38.245 38.000 0.150 0.000 1.014 442 I HN -0.147 nan 8.210 nan 0.000 0.400 443 V N 0.321 120.384 119.914 0.248 0.000 2.888 443 V HA 0.278 4.397 4.120 -0.001 0.000 0.309 443 V C 1.014 177.253 176.094 0.241 0.000 1.114 443 V CA -0.101 62.315 62.300 0.193 0.000 0.940 443 V CB 1.669 33.559 31.823 0.111 0.000 1.021 443 V HN 0.298 nan 8.190 nan 0.000 0.426 444 T N -1.984 112.710 114.554 0.234 0.000 3.081 444 T HA 0.245 4.594 4.350 -0.001 0.000 0.250 444 T C 0.470 175.321 174.700 0.253 0.000 1.100 444 T CA 0.581 62.903 62.100 0.371 0.000 1.038 444 T CB -0.242 68.931 68.868 0.508 0.000 0.962 444 T HN 0.707 nan 8.240 nan 0.000 0.516 445 H N 0.843 119.848 119.070 -0.108 0.000 2.747 445 H HA 0.377 4.932 4.556 -0.001 0.000 0.371 445 H C -0.610 174.641 175.328 -0.129 0.000 1.161 445 H CA -1.164 54.762 56.048 -0.204 0.000 1.167 445 H CB 1.497 31.007 29.762 -0.421 0.000 1.732 445 H HN 0.044 nan 8.280 nan 0.000 0.544 446 N N 2.606 121.285 118.700 -0.035 0.000 2.405 446 N HA 0.037 4.776 4.740 -0.001 0.000 0.260 446 N C -0.092 175.406 175.510 -0.021 0.000 1.152 446 N CA -0.051 52.987 53.050 -0.020 0.000 0.948 446 N CB 0.508 38.977 38.487 -0.030 0.000 1.111 446 N HN 0.311 nan 8.380 nan 0.000 0.485 447 M N 2.127 121.720 119.600 -0.011 0.000 2.200 447 M HA 0.072 4.551 4.480 -0.001 0.000 0.355 447 M C 1.643 177.945 176.300 0.004 0.000 1.283 447 M CA -0.223 55.071 55.300 -0.010 0.000 1.124 447 M CB 0.811 33.423 32.600 0.020 0.000 1.625 447 M HN 0.167 nan 8.290 nan 0.000 0.463 448 V N 1.602 121.517 119.914 0.002 0.000 2.261 448 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 448 V C 0.865 176.968 176.094 0.013 0.000 1.047 448 V CA 1.894 64.198 62.300 0.006 0.000 1.015 448 V CB -0.358 31.467 31.823 0.003 0.000 0.642 448 V HN 0.856 nan 8.190 nan 0.000 0.446 449 D N -0.558 119.854 120.400 0.020 0.000 2.540 449 D HA 0.089 4.729 4.640 -0.001 0.000 0.251 449 D C 0.988 177.311 176.300 0.039 0.000 1.159 449 D CA -0.074 53.940 54.000 0.023 0.000 0.974 449 D CB 0.074 40.881 40.800 0.012 0.000 0.996 449 D HN 0.208 nan 8.370 nan 0.000 0.512 450 D N 1.719 122.142 120.400 0.039 0.000 2.144 450 D HA -0.123 4.516 4.640 -0.001 0.000 0.200 450 D C 1.564 177.896 176.300 0.054 0.000 0.978 450 D CA 0.710 54.742 54.000 0.054 0.000 0.833 450 D CB 0.532 41.361 40.800 0.048 0.000 0.961 450 D HN 0.460 nan 8.370 nan 0.000 0.470 451 A N 0.546 123.389 122.820 0.039 0.000 1.970 451 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 451 A C 1.927 179.525 177.584 0.024 0.000 1.170 451 A CA 0.887 52.944 52.037 0.033 0.000 0.645 451 A CB -0.098 18.917 19.000 0.026 0.000 0.816 451 A HN 0.175 nan 8.150 nan 0.000 0.447 452 N N -0.029 118.680 118.700 0.016 0.000 2.388 452 N HA 0.003 4.742 4.740 -0.001 0.000 0.176 452 N C -0.153 175.347 175.510 -0.018 0.000 1.062 452 N CA 0.236 53.283 53.050 -0.004 0.000 0.895 452 N CB -0.258 38.222 38.487 -0.011 0.000 1.018 452 N HN 0.559 nan 8.380 nan 0.000 0.456 453 D N 0.885 121.296 120.400 0.018 0.000 2.581 453 D HA -0.059 4.580 4.640 -0.001 0.000 0.238 453 D C 1.411 177.703 176.300 -0.012 0.000 1.145 453 D CA 0.047 54.077 54.000 0.050 0.000 0.866 453 D CB 0.670 41.571 40.800 0.168 0.000 1.151 453 D HN 0.024 nan 8.370 nan 0.000 0.500 454 L N 4.704 125.852 121.223 -0.126 0.000 2.017 454 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 454 L C 2.299 178.931 176.870 -0.396 0.000 1.073 454 L CA 0.654 55.227 54.840 -0.445 0.000 0.745 454 L CB -0.535 40.910 42.059 -1.024 0.000 0.894 454 L HN 0.635 nan 8.230 nan 0.000 0.432 455 I N -0.025 120.421 120.570 -0.207 0.000 2.118 455 I HA -0.341 3.828 4.170 -0.001 0.000 0.241 455 I C 2.652 178.683 176.117 -0.143 0.000 1.070 455 I CA 1.843 62.999 61.300 -0.240 0.000 1.327 455 I CB -0.695 36.891 38.000 -0.689 0.000 1.034 455 I HN 0.296 nan 8.210 nan 0.000 0.405 456 L N 0.613 121.837 121.223 0.003 0.000 1.990 456 L HA -0.270 4.070 4.340 -0.001 0.000 0.213 456 L C 2.379 179.258 176.870 0.015 0.000 1.072 456 L CA 1.687 56.575 54.840 0.080 0.000 0.755 456 L CB -0.690 41.469 42.059 0.168 0.000 0.889 456 L HN 0.366 nan 8.230 nan 0.000 0.432 457 N N -0.389 118.306 118.700 -0.009 0.000 2.364 457 N HA -0.172 4.568 4.740 -0.001 0.000 0.183 457 N C 1.757 177.250 175.510 -0.029 0.000 1.022 457 N CA 0.798 53.839 53.050 -0.014 0.000 0.883 457 N CB -0.109 38.362 38.487 -0.026 0.000 0.965 457 N HN 0.234 nan 8.380 nan 0.000 0.438 458 K N 1.802 122.171 120.400 -0.052 0.000 2.007 458 K HA -0.009 4.310 4.320 -0.001 0.000 0.206 458 K C 2.016 178.580 176.600 -0.060 0.000 1.047 458 K CA 0.612 56.891 56.287 -0.013 0.000 0.937 458 K CB -0.262 32.278 32.500 0.066 0.000 0.718 458 K HN 0.262 nan 8.250 nan 0.000 0.438 459 I N -1.461 119.047 120.570 -0.103 0.000 2.454 459 I HA -0.227 3.942 4.170 -0.001 0.000 0.254 459 I C 2.153 178.080 176.117 -0.317 0.000 1.156 459 I CA 1.038 62.223 61.300 -0.192 0.000 1.433 459 I CB -0.484 37.403 38.000 -0.189 0.000 1.082 459 I HN 0.018 nan 8.210 nan 0.000 0.432 460 R N 0.936 121.316 120.500 -0.198 0.000 2.061 460 R HA -0.160 4.179 4.340 -0.001 0.000 0.230 460 R C 2.556 178.840 176.300 -0.027 0.000 1.140 460 R CA 1.718 57.750 56.100 -0.114 0.000 0.940 460 R CB -0.575 29.785 30.300 0.099 0.000 0.839 460 R HN 0.446 nan 8.270 nan 0.000 0.429 461 Q N 1.156 120.954 119.800 -0.003 0.000 2.152 461 Q HA -0.147 4.192 4.340 -0.001 0.000 0.206 461 Q C 1.791 177.791 176.000 0.001 0.000 0.985 461 Q CA 2.274 58.089 55.803 0.020 0.000 0.863 461 Q CB 0.078 28.828 28.738 0.019 0.000 0.904 461 Q HN 0.392 nan 8.270 nan 0.000 0.422 462 V N -2.528 117.355 119.914 -0.052 0.000 3.541 462 V HA 0.072 4.191 4.120 -0.001 0.000 0.267 462 V C 0.501 176.555 176.094 -0.066 0.000 1.213 462 V CA 0.705 62.973 62.300 -0.052 0.000 1.149 462 V CB -0.460 31.320 31.823 -0.071 0.000 0.822 462 V HN 0.368 nan 8.190 nan 0.000 0.462 463 Q N 0.032 119.744 119.800 -0.147 0.000 2.460 463 Q HA -0.168 4.171 4.340 -0.001 0.000 0.311 463 Q C -0.314 175.566 176.000 -0.199 0.000 1.396 463 Q CA 0.507 56.216 55.803 -0.156 0.000 0.838 463 Q CB -1.707 27.169 28.738 0.231 0.000 1.140 463 Q HN 0.671 nan 8.270 nan 0.000 0.415 464 L N 0.833 121.819 121.223 -0.394 0.000 2.315 464 L HA 0.237 4.576 4.340 -0.001 0.000 0.278 464 L C 0.417 177.111 176.870 -0.294 0.000 1.088 464 L CA -0.116 54.586 54.840 -0.230 0.000 0.899 464 L CB 0.093 42.041 42.059 -0.185 0.000 1.277 464 L HN 0.239 nan 8.230 nan 0.000 0.431 465 F N 1.060 121.030 119.950 0.034 0.000 2.653 465 F HA 0.214 4.740 4.527 -0.001 0.000 0.304 465 F C 0.917 176.751 175.800 0.057 0.000 1.092 465 F CA -0.374 57.652 58.000 0.043 0.000 1.279 465 F CB 0.088 39.108 39.000 0.032 0.000 1.044 465 F HN 0.493 nan 8.300 nan 0.000 0.564 466 N N -0.133 118.692 118.700 0.208 0.000 2.862 466 N HA -0.172 4.568 4.740 -0.001 0.000 0.248 466 N C -0.087 175.550 175.510 0.212 0.000 1.116 466 N CA 0.690 53.873 53.050 0.222 0.000 0.727 466 N CB -1.601 37.024 38.487 0.231 0.000 1.083 466 N HN 0.097 nan 8.380 nan 0.000 0.555 467 S N 0.690 116.492 115.700 0.169 0.000 2.580 467 S HA 0.189 4.658 4.470 -0.001 0.000 0.266 467 S C -1.024 173.651 174.600 0.125 0.000 1.354 467 S CA -0.649 57.629 58.200 0.130 0.000 1.008 467 S CB 0.805 64.066 63.200 0.101 0.000 0.898 467 S HN 0.079 nan 8.310 nan 0.000 0.555 468 P HA 0.021 nan 4.420 nan 0.000 0.222 468 P C 1.143 178.472 177.300 0.048 0.000 1.153 468 P CA 0.680 63.842 63.100 0.102 0.000 0.798 468 P CB 0.019 31.773 31.700 0.090 0.000 0.796 469 S N -0.608 115.111 115.700 0.032 0.000 2.353 469 S HA -0.111 4.359 4.470 -0.001 0.000 0.222 469 S C 0.705 175.294 174.600 -0.019 0.000 1.035 469 S CA 1.043 59.244 58.200 0.002 0.000 1.025 469 S CB -1.307 61.896 63.200 0.004 0.000 0.902 469 S HN 0.218 nan 8.310 nan 0.000 0.440 470 D N 1.373 121.771 120.400 -0.003 0.000 2.520 470 D HA 0.073 4.712 4.640 -0.001 0.000 0.243 470 D C 0.794 177.041 176.300 -0.088 0.000 1.160 470 D CA 0.303 54.286 54.000 -0.028 0.000 0.877 470 D CB 0.513 41.317 40.800 0.008 0.000 1.150 470 D HN 0.043 nan 8.370 nan 0.000 0.494 471 R N 1.384 121.816 120.500 -0.114 0.000 2.300 471 R HA 0.059 4.398 4.340 -0.001 0.000 0.199 471 R C -0.129 176.036 176.300 -0.226 0.000 0.920 471 R CA 0.171 56.168 56.100 -0.173 0.000 1.046 471 R CB 0.352 30.570 30.300 -0.136 0.000 0.984 471 R HN 0.367 nan 8.270 nan 0.000 0.493 472 V N -0.405 119.398 119.914 -0.185 0.000 2.444 472 V HA 0.559 4.678 4.120 -0.001 0.000 0.294 472 V C -0.528 175.474 176.094 -0.153 0.000 1.022 472 V CA -1.343 60.831 62.300 -0.209 0.000 0.850 472 V CB 1.823 33.535 31.823 -0.185 0.000 0.992 472 V HN -0.139 nan 8.190 nan 0.000 0.426 473 K N 3.826 124.130 120.400 -0.159 0.000 2.109 473 K HA 0.763 5.083 4.320 -0.001 0.000 0.243 473 K C -0.756 175.840 176.600 -0.006 0.000 1.006 473 K CA -0.792 55.494 56.287 -0.001 0.000 0.917 473 K CB 1.855 34.431 32.500 0.126 0.000 1.081 473 K HN 0.772 nan 8.250 nan 0.000 0.468 474 M N 1.678 121.321 119.600 0.072 0.000 2.326 474 M HA 0.417 4.896 4.480 -0.001 0.000 0.292 474 M C -1.800 174.557 176.300 0.095 0.000 1.081 474 M CA -0.409 54.905 55.300 0.023 0.000 0.919 474 M CB 1.339 33.926 32.600 -0.023 0.000 1.634 474 M HN 0.444 nan 8.290 nan 0.000 0.451 475 I N 5.910 126.535 120.570 0.092 0.000 2.576 475 I HA 0.218 4.387 4.170 -0.001 0.000 0.279 475 I C -1.397 174.929 176.117 0.349 0.000 1.114 475 I CA -0.369 61.041 61.300 0.183 0.000 1.076 475 I CB 0.953 39.008 38.000 0.092 0.000 1.212 475 I HN 0.612 nan 8.210 nan 0.000 0.472 476 F N 6.672 126.706 119.950 0.141 0.000 2.438 476 F HA 0.277 4.804 4.527 -0.001 0.000 0.360 476 F C 0.315 176.174 175.800 0.099 0.000 1.118 476 F CA -0.173 57.892 58.000 0.109 0.000 1.164 476 F CB 0.070 39.097 39.000 0.046 0.000 1.131 476 F HN 0.368 nan 8.300 nan 0.000 0.527 477 H N 8.454 127.622 119.070 0.163 0.000 2.680 477 H HA 0.350 4.905 4.556 -0.001 0.000 0.260 477 H C -2.434 172.628 175.328 -0.444 0.000 1.328 477 H CA -2.267 53.664 56.048 -0.194 0.000 1.269 477 H CB 0.965 30.659 29.762 -0.114 0.000 1.446 477 H HN 0.309 nan 8.280 nan 0.000 0.527 478 P HA 0.128 nan 4.420 nan 0.000 0.237 478 P C -0.597 176.327 177.300 -0.627 0.000 1.723 478 P CA 0.258 62.881 63.100 -0.794 0.000 0.882 478 P CB -0.025 31.047 31.700 -1.046 0.000 1.810 479 E N -0.273 119.629 120.200 -0.497 0.000 2.400 479 E HA 0.301 4.651 4.350 -0.001 0.000 0.285 479 E C -1.170 175.357 176.600 -0.121 0.000 1.005 479 E CA -0.824 55.357 56.400 -0.366 0.000 0.816 479 E CB 0.292 29.725 29.700 -0.444 0.000 1.220 479 E HN -0.206 nan 8.360 nan 0.000 0.426 480 F N 2.539 122.485 119.950 -0.006 0.000 2.623 480 F HA 0.036 4.562 4.527 -0.001 0.000 0.381 480 F C 0.810 176.628 175.800 0.029 0.000 1.081 480 F CA 0.615 58.614 58.000 -0.002 0.000 1.293 480 F CB 0.163 39.153 39.000 -0.016 0.000 1.006 480 F HN 0.326 nan 8.300 nan 0.000 0.578 481 L N 3.984 125.285 121.223 0.129 0.000 2.397 481 L HA 0.206 4.545 4.340 -0.001 0.000 0.271 481 L C 0.319 177.236 176.870 0.079 0.000 1.148 481 L CA -0.024 54.805 54.840 -0.018 0.000 0.825 481 L CB 0.423 42.344 42.059 -0.230 0.000 1.117 481 L HN 0.643 nan 8.230 nan 0.000 0.456 482 N N 0.679 119.418 118.700 0.065 0.000 2.397 482 N HA 0.245 4.984 4.740 -0.001 0.000 0.291 482 N C 0.354 175.887 175.510 0.038 0.000 1.065 482 N CA -0.098 52.994 53.050 0.070 0.000 0.884 482 N CB 2.149 40.702 38.487 0.109 0.000 1.551 482 N HN 0.698 nan 8.380 nan 0.000 0.487 483 A N 3.359 126.190 122.820 0.019 0.000 1.958 483 A HA -0.222 4.097 4.320 -0.001 0.000 0.221 483 A C 0.815 178.402 177.584 0.005 0.000 1.178 483 A CA 1.727 53.766 52.037 0.003 0.000 0.642 483 A CB -0.691 18.309 19.000 -0.001 0.000 0.816 483 A HN 0.855 nan 8.150 nan 0.000 0.453 484 N N -0.184 118.527 118.700 0.018 0.000 2.994 484 N HA 0.216 4.955 4.740 -0.001 0.000 0.306 484 N C -0.665 174.862 175.510 0.028 0.000 1.348 484 N CA -0.390 52.669 53.050 0.015 0.000 1.109 484 N CB 0.108 38.603 38.487 0.013 0.000 1.415 484 N HN 0.199 nan 8.380 nan 0.000 0.529 485 N N 0.641 119.356 118.700 0.026 0.000 2.443 485 N HA 0.340 5.079 4.740 -0.001 0.000 0.293 485 N C -1.632 173.825 175.510 -0.089 0.000 1.159 485 N CA -2.090 50.971 53.050 0.017 0.000 0.904 485 N CB 1.473 40.033 38.487 0.123 0.000 1.214 485 N HN 0.016 nan 8.380 nan 0.000 0.513 486 P HA 0.230 nan 4.420 nan 0.000 0.231 486 P C 0.622 177.779 177.300 -0.239 0.000 1.168 486 P CA 0.701 63.656 63.100 -0.242 0.000 0.779 486 P CB 0.883 32.389 31.700 -0.323 0.000 0.844 487 I N -1.980 118.402 120.570 -0.313 0.000 3.744 487 I HA 0.077 4.246 4.170 -0.001 0.000 0.240 487 I C 0.240 176.418 176.117 0.102 0.000 1.096 487 I CA -0.022 61.238 61.300 -0.066 0.000 1.558 487 I CB 0.181 38.106 38.000 -0.125 0.000 1.531 487 I HN -0.280 nan 8.210 nan 0.000 0.459 488 L N 2.210 123.429 121.223 -0.006 0.000 2.589 488 L HA 0.419 4.758 4.340 -0.001 0.000 0.244 488 L C 0.545 177.334 176.870 -0.134 0.000 1.159 488 L CA -0.339 54.387 54.840 -0.190 0.000 1.074 488 L CB -0.360 41.364 42.059 -0.559 0.000 1.391 488 L HN 0.115 nan 8.230 nan 0.000 0.423 489 G N 3.997 112.766 108.800 -0.052 0.000 2.843 489 G HA2 0.345 4.304 3.960 -0.001 0.000 0.275 489 G HA3 0.345 4.304 3.960 -0.001 0.000 0.275 489 G C -0.237 174.637 174.900 -0.044 0.000 0.709 489 G CA 0.056 45.134 45.100 -0.037 0.000 2.089 489 G HN 0.444 nan 8.290 nan 0.000 0.571 490 L N 0.654 121.838 121.223 -0.065 0.000 2.472 490 L HA 0.347 4.687 4.340 -0.001 0.000 0.260 490 L C -0.985 175.860 176.870 -0.040 0.000 0.963 490 L CA -1.208 53.599 54.840 -0.055 0.000 0.829 490 L CB 2.600 44.621 42.059 -0.064 0.000 1.348 490 L HN 0.096 nan 8.230 nan 0.000 0.408 491 D N 0.180 120.575 120.400 -0.007 0.000 2.313 491 D HA 0.039 4.679 4.640 -0.001 0.000 0.247 491 D C 0.470 176.806 176.300 0.060 0.000 1.094 491 D CA -0.093 53.927 54.000 0.033 0.000 0.925 491 D CB 1.378 42.200 40.800 0.036 0.000 1.188 491 D HN 0.439 nan 8.370 nan 0.000 0.430 492 Y N 2.041 122.338 120.300 -0.006 0.000 2.102 492 Y HA -0.326 4.223 4.550 -0.001 0.000 0.280 492 Y C 1.957 177.895 175.900 0.063 0.000 1.178 492 Y CA 2.460 60.573 58.100 0.022 0.000 1.146 492 Y CB 0.026 38.523 38.460 0.061 0.000 0.968 492 Y HN 0.494 nan 8.280 nan 0.000 0.504 493 D N -0.535 119.888 120.400 0.039 0.000 2.117 493 D HA -0.226 4.413 4.640 -0.001 0.000 0.197 493 D C 1.529 177.774 176.300 -0.093 0.000 0.987 493 D CA 1.900 55.886 54.000 -0.023 0.000 0.829 493 D CB -0.539 40.332 40.800 0.119 0.000 0.961 493 D HN 0.644 nan 8.370 nan 0.000 0.460 494 E N -0.248 119.917 120.200 -0.058 0.000 2.047 494 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 494 E C 2.024 178.540 176.600 -0.139 0.000 0.987 494 E CA 0.712 57.068 56.400 -0.073 0.000 0.799 494 E CB -0.430 29.243 29.700 -0.044 0.000 0.752 494 E HN 0.265 nan 8.360 nan 0.000 0.449 495 F N 1.685 121.439 119.950 -0.326 0.000 2.091 495 F HA -0.271 4.255 4.527 -0.001 0.000 0.299 495 F C 2.113 177.582 175.800 -0.551 0.000 1.103 495 F CA 1.284 59.010 58.000 -0.458 0.000 1.228 495 F CB -0.366 38.316 39.000 -0.529 0.000 0.984 495 F HN -0.200 nan 8.300 nan 0.000 0.477 496 V N 1.042 120.554 119.914 -0.670 0.000 2.287 496 V HA -0.326 3.793 4.120 -0.001 0.000 0.248 496 V C 2.501 178.363 176.094 -0.387 0.000 1.053 496 V CA 2.377 64.246 62.300 -0.719 0.000 1.027 496 V CB -0.748 30.759 31.823 -0.526 0.000 0.646 496 V HN 0.310 nan 8.190 nan 0.000 0.447 497 R N 0.135 120.486 120.500 -0.248 0.000 2.148 497 R HA -0.067 4.272 4.340 -0.001 0.000 0.227 497 R C 2.326 178.611 176.300 -0.024 0.000 1.103 497 R CA 1.215 57.263 56.100 -0.086 0.000 0.983 497 R CB -0.583 29.691 30.300 -0.044 0.000 0.874 497 R HN 0.600 nan 8.270 nan 0.000 0.451 498 G N 0.209 108.869 108.800 -0.232 0.000 2.572 498 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.216 498 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.216 498 G C 0.621 175.357 174.900 -0.273 0.000 1.133 498 G CA -0.036 44.884 45.100 -0.300 0.000 0.791 498 G HN 0.197 nan 8.290 nan 0.000 0.538 499 C N -0.880 118.235 119.300 -0.309 0.000 2.574 499 C HA 0.469 4.928 4.460 -0.001 0.000 0.335 499 C C 1.624 176.627 174.990 0.020 0.000 1.493 499 C CA -0.425 58.532 59.018 -0.102 0.000 2.217 499 C CB 0.687 28.341 27.740 -0.144 0.000 2.056 499 C HN 0.488 nan 8.230 nan 0.000 0.607 500 H N -1.091 118.217 119.070 0.397 0.000 2.594 500 H HA 0.378 4.933 4.556 -0.001 0.000 0.274 500 H C -0.370 175.096 175.328 0.230 0.000 0.982 500 H CA 0.438 56.735 56.048 0.415 0.000 1.228 500 H CB 0.580 30.694 29.762 0.586 0.000 1.447 500 H HN 0.324 nan 8.280 nan 0.000 0.485 501 L N 0.486 121.835 121.223 0.210 0.000 2.482 501 L HA 0.587 4.926 4.340 -0.001 0.000 0.263 501 L C -0.613 176.081 176.870 -0.293 0.000 0.957 501 L CA -0.634 54.024 54.840 -0.302 0.000 0.836 501 L CB 2.170 43.637 42.059 -0.986 0.000 1.324 501 L HN 0.092 nan 8.230 nan 0.000 0.406 502 G N 3.169 111.683 108.800 -0.476 0.000 2.379 502 G HA2 0.614 4.573 3.960 -0.001 0.000 0.327 502 G HA3 0.614 4.573 3.960 -0.001 0.000 0.327 502 G C -1.593 172.535 174.900 -1.286 0.000 1.145 502 G CA -0.487 43.950 45.100 -1.105 0.000 0.905 502 G HN 0.487 nan 8.290 nan 0.000 0.466 503 V N 2.447 121.285 119.914 -1.794 0.000 2.380 503 V HA 0.405 4.524 4.120 -0.001 0.000 0.286 503 V C -1.237 173.996 176.094 -1.435 0.000 1.015 503 V CA -0.616 60.918 62.300 -1.278 0.000 0.834 503 V CB 0.634 31.950 31.823 -0.846 0.000 1.009 503 V HN 0.626 nan 8.190 nan 0.000 0.428 504 F N 5.949 125.665 119.950 -0.390 0.000 2.564 504 F HA 0.484 5.010 4.527 -0.001 0.000 0.368 504 F C -2.401 173.294 175.800 -0.175 0.000 1.127 504 F CA -2.502 55.322 58.000 -0.294 0.000 1.170 504 F CB 1.744 40.588 39.000 -0.259 0.000 1.397 504 F HN 0.282 nan 8.300 nan 0.000 0.493 505 P HA 0.170 nan 4.420 nan 0.000 0.208 505 P C -0.290 177.039 177.300 0.048 0.000 1.837 505 P CA -0.120 62.985 63.100 0.008 0.000 0.953 505 P CB 0.335 32.040 31.700 0.009 0.000 1.870 506 S N 0.363 116.099 115.700 0.060 0.000 2.572 506 S HA 0.047 4.516 4.470 -0.001 0.000 0.279 506 S C 0.475 175.161 174.600 0.145 0.000 1.341 506 S CA -0.005 58.246 58.200 0.086 0.000 1.043 506 S CB 0.593 63.819 63.200 0.044 0.000 0.887 506 S HN 0.301 nan 8.310 nan 0.000 0.516 507 Y N 1.169 121.506 120.300 0.062 0.000 2.422 507 Y HA 0.307 4.856 4.550 -0.001 0.000 0.291 507 Y C -0.021 176.044 175.900 0.277 0.000 1.144 507 Y CA 0.258 58.438 58.100 0.133 0.000 1.208 507 Y CB 0.234 38.771 38.460 0.129 0.000 1.195 507 Y HN 0.690 nan 8.280 nan 0.000 0.535 508 Y N 1.861 122.208 120.300 0.078 0.000 2.376 508 Y HA 0.453 5.002 4.550 -0.001 0.000 0.326 508 Y C -1.108 174.819 175.900 0.045 0.000 0.970 508 Y CA -0.957 57.147 58.100 0.005 0.000 1.248 508 Y CB 0.803 39.212 38.460 -0.086 0.000 1.117 508 Y HN 0.153 nan 8.280 nan 0.000 0.476 509 E N 8.016 128.011 120.200 -0.341 0.000 2.738 509 E HA 0.253 4.602 4.350 -0.001 0.000 0.347 509 E C -2.587 173.888 176.600 -0.207 0.000 1.077 509 E CA -1.698 54.591 56.400 -0.184 0.000 0.755 509 E CB 1.332 30.981 29.700 -0.084 0.000 1.576 509 E HN 0.381 nan 8.360 nan 0.000 0.379 510 P HA -0.117 nan 4.420 nan 0.000 0.216 510 P C 0.261 177.652 177.300 0.151 0.000 1.150 510 P CA 1.035 64.100 63.100 -0.058 0.000 0.837 510 P CB 0.178 31.889 31.700 0.018 0.000 0.786 511 W N -1.246 120.011 121.300 -0.073 0.000 4.165 511 W HA 0.336 4.995 4.660 -0.001 0.000 0.196 511 W C -0.353 176.117 176.519 -0.082 0.000 1.586 511 W CA 0.565 57.852 57.345 -0.095 0.000 2.518 511 W CB 0.379 29.731 29.460 -0.180 0.000 1.322 511 W HN 0.019 nan 8.180 nan 0.000 0.690 512 G N 1.375 110.012 108.800 -0.272 0.000 3.035 512 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.214 512 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.214 512 G C -0.451 174.120 174.900 -0.548 0.000 1.063 512 G CA -0.088 44.752 45.100 -0.433 0.000 1.109 512 G HN 0.469 nan 8.290 nan 0.000 0.563 513 Y N 0.191 120.416 120.300 -0.125 0.000 2.403 513 Y HA -0.181 4.368 4.550 -0.001 0.000 0.291 513 Y C 3.022 178.764 175.900 -0.264 0.000 1.143 513 Y CA 2.005 60.076 58.100 -0.048 0.000 1.257 513 Y CB 0.330 38.864 38.460 0.125 0.000 0.984 513 Y HN 0.556 nan 8.280 nan 0.000 0.550 514 T N -0.774 113.650 114.554 -0.217 0.000 2.809 514 T HA -0.060 4.290 4.350 -0.001 0.000 0.260 514 T C -0.706 173.497 174.700 -0.829 0.000 1.039 514 T CA 0.654 62.538 62.100 -0.359 0.000 1.141 514 T CB -1.441 67.254 68.868 -0.289 0.000 0.869 514 T HN 0.155 nan 8.240 nan 0.000 0.437 515 P HA 0.054 nan 4.420 nan 0.000 0.218 515 P C 1.439 178.031 177.300 -1.180 0.000 1.148 515 P CA 1.113 63.373 63.100 -1.401 0.000 0.822 515 P CB -0.242 30.750 31.700 -1.179 0.000 0.784 516 A N 0.533 122.611 122.820 -1.236 0.000 1.970 516 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 516 A C 1.901 179.246 177.584 -0.399 0.000 1.170 516 A CA 1.170 52.610 52.037 -0.994 0.000 0.645 516 A CB -0.851 17.790 19.000 -0.599 0.000 0.816 516 A HN 0.373 nan 8.150 nan 0.000 0.447 517 E N -1.502 118.498 120.200 -0.333 0.000 2.474 517 E HA 0.041 4.391 4.350 -0.001 0.000 0.195 517 E C 1.548 177.961 176.600 -0.312 0.000 1.039 517 E CA 0.440 56.600 56.400 -0.401 0.000 0.881 517 E CB -0.532 28.939 29.700 -0.382 0.000 0.970 517 E HN 0.433 nan 8.360 nan 0.000 0.486 518 C N 0.998 120.165 119.300 -0.221 0.000 2.476 518 C HA -0.070 4.389 4.460 -0.001 0.000 0.278 518 C C 2.710 177.655 174.990 -0.076 0.000 1.274 518 C CA 1.564 60.546 59.018 -0.060 0.000 1.713 518 C CB -0.820 26.934 27.740 0.022 0.000 2.039 518 C HN 0.514 nan 8.230 nan 0.000 0.484 519 T N 0.263 114.754 114.554 -0.104 0.000 2.746 519 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 519 T C 1.742 176.404 174.700 -0.064 0.000 1.039 519 T CA 1.793 63.877 62.100 -0.026 0.000 1.142 519 T CB -0.328 68.590 68.868 0.083 0.000 0.866 519 T HN 0.396 nan 8.240 nan 0.000 0.444 520 V N 1.177 121.002 119.914 -0.148 0.000 2.594 520 V HA -0.105 4.014 4.120 -0.001 0.000 0.253 520 V C 2.298 178.292 176.094 -0.167 0.000 1.069 520 V CA 1.462 63.655 62.300 -0.178 0.000 1.082 520 V CB -0.515 31.113 31.823 -0.326 0.000 0.680 520 V HN 0.495 nan 8.190 nan 0.000 0.469 521 M N -0.670 118.813 119.600 -0.194 0.000 2.492 521 M HA 0.178 4.657 4.480 -0.001 0.000 0.262 521 M C 1.328 177.602 176.300 -0.044 0.000 1.090 521 M CA 1.153 56.393 55.300 -0.099 0.000 1.110 521 M CB 0.299 32.841 32.600 -0.097 0.000 1.407 521 M HN 0.489 nan 8.290 nan 0.000 0.470 522 G N 0.664 109.437 108.800 -0.045 0.000 2.215 522 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.198 522 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.198 522 G C -0.557 174.327 174.900 -0.027 0.000 1.047 522 G CA -0.402 44.678 45.100 -0.034 0.000 0.747 522 G HN 0.269 nan 8.290 nan 0.000 0.495 523 V N 0.320 120.230 119.914 -0.006 0.000 2.525 523 V HA 0.487 4.606 4.120 -0.001 0.000 0.299 523 V C -1.971 174.145 176.094 0.036 0.000 1.034 523 V CA -1.834 60.480 62.300 0.024 0.000 0.863 523 V CB 2.315 34.176 31.823 0.063 0.000 0.999 523 V HN 0.112 nan 8.190 nan 0.000 0.423 524 P HA 0.162 nan 4.420 nan 0.000 0.267 524 P C -0.519 176.755 177.300 -0.043 0.000 1.195 524 P CA 0.439 63.544 63.100 0.009 0.000 0.773 524 P CB 0.415 32.119 31.700 0.007 0.000 0.837 525 S N 0.972 116.676 115.700 0.007 0.000 2.537 525 S HA 0.600 5.070 4.470 -0.001 0.000 0.270 525 S C -0.761 173.863 174.600 0.040 0.000 1.142 525 S CA -0.844 57.359 58.200 0.006 0.000 0.870 525 S CB 1.044 64.345 63.200 0.169 0.000 1.112 525 S HN 0.205 nan 8.310 nan 0.000 0.466 526 I N 1.938 122.452 120.570 -0.092 0.000 2.339 526 I HA 0.561 4.730 4.170 -0.001 0.000 0.290 526 I C 0.361 176.504 176.117 0.043 0.000 0.994 526 I CA -0.144 61.121 61.300 -0.059 0.000 1.191 526 I CB 1.788 39.657 38.000 -0.218 0.000 1.343 526 I HN 0.757 nan 8.210 nan 0.000 0.458 527 T N 3.551 118.157 114.554 0.086 0.000 2.573 527 T HA 0.550 4.899 4.350 -0.001 0.000 0.259 527 T C -0.577 174.150 174.700 0.045 0.000 0.886 527 T CA -0.175 61.986 62.100 0.102 0.000 1.110 527 T CB 2.065 71.038 68.868 0.175 0.000 1.421 527 T HN 0.565 nan 8.240 nan 0.000 0.523 528 T N 1.675 116.235 114.554 0.010 0.000 2.900 528 T HA 0.347 4.696 4.350 -0.001 0.000 0.303 528 T C 0.567 175.212 174.700 -0.092 0.000 1.142 528 T CA -0.722 61.360 62.100 -0.030 0.000 1.007 528 T CB 1.415 70.266 68.868 -0.029 0.000 1.156 528 T HN 0.707 nan 8.240 nan 0.000 0.490 529 N N 0.987 119.611 118.700 -0.127 0.000 2.521 529 N HA -0.061 4.678 4.740 -0.001 0.000 0.188 529 N C 1.126 176.473 175.510 -0.272 0.000 1.146 529 N CA 0.660 53.605 53.050 -0.175 0.000 0.893 529 N CB -0.247 38.148 38.487 -0.153 0.000 0.975 529 N HN 0.427 nan 8.380 nan 0.000 0.451 530 V N -3.166 116.549 119.914 -0.332 0.000 3.271 530 V HA 0.357 4.476 4.120 -0.001 0.000 0.327 530 V C 0.440 176.403 176.094 -0.219 0.000 1.389 530 V CA -0.420 61.616 62.300 -0.440 0.000 1.156 530 V CB -0.810 30.438 31.823 -0.958 0.000 1.103 530 V HN 0.278 nan 8.190 nan 0.000 0.453 531 S N 0.701 116.308 115.700 -0.155 0.000 2.437 531 S HA 0.644 5.113 4.470 -0.001 0.000 0.305 531 S C 1.510 176.040 174.600 -0.116 0.000 1.109 531 S CA 0.266 58.394 58.200 -0.120 0.000 1.099 531 S CB 1.345 64.490 63.200 -0.092 0.000 1.004 531 S HN 0.651 nan 8.310 nan 0.000 0.475 532 G N 3.845 112.593 108.800 -0.086 0.000 2.631 532 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.219 532 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.219 532 G C 1.080 175.881 174.900 -0.165 0.000 1.214 532 G CA 1.451 46.558 45.100 0.012 0.000 0.785 532 G HN 0.902 nan 8.290 nan 0.000 0.596 533 F N 2.478 121.911 119.950 -0.862 0.000 2.216 533 F HA 0.061 4.587 4.527 -0.001 0.000 0.300 533 F C 2.459 178.000 175.800 -0.433 0.000 1.085 533 F CA 1.521 58.810 58.000 -1.185 0.000 1.326 533 F CB -0.372 37.700 39.000 -1.546 0.000 1.027 533 F HN 0.142 nan 8.300 nan 0.000 0.497 534 G N 0.210 108.860 108.800 -0.250 0.000 2.511 534 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.216 534 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.216 534 G C 1.780 176.533 174.900 -0.245 0.000 1.218 534 G CA 1.443 46.404 45.100 -0.232 0.000 0.788 534 G HN 0.525 nan 8.290 nan 0.000 0.560 535 S N -0.224 115.384 115.700 -0.153 0.000 2.387 535 S HA -0.256 4.213 4.470 -0.001 0.000 0.230 535 S C 2.222 176.771 174.600 -0.085 0.000 1.035 535 S CA 1.790 59.928 58.200 -0.102 0.000 1.014 535 S CB -0.731 62.439 63.200 -0.049 0.000 0.836 535 S HN 0.518 nan 8.310 nan 0.000 0.466 536 Y N 1.075 121.271 120.300 -0.174 0.000 2.293 536 Y HA 0.065 4.614 4.550 -0.001 0.000 0.291 536 Y C 2.342 178.109 175.900 -0.222 0.000 1.137 536 Y CA 1.585 59.618 58.100 -0.111 0.000 1.202 536 Y CB -0.367 38.131 38.460 0.063 0.000 0.990 536 Y HN 0.290 nan 8.280 nan 0.000 0.537 537 M N 0.531 119.881 119.600 -0.416 0.000 2.193 537 M HA -0.089 4.390 4.480 -0.001 0.000 0.265 537 M C 2.127 178.203 176.300 -0.373 0.000 1.071 537 M CA 1.534 56.529 55.300 -0.508 0.000 1.140 537 M CB -0.547 31.627 32.600 -0.711 0.000 1.369 537 M HN 0.325 nan 8.290 nan 0.000 0.423 538 E N -0.200 119.827 120.200 -0.288 0.000 2.233 538 E HA -0.271 4.078 4.350 -0.001 0.000 0.199 538 E C 0.925 177.402 176.600 -0.204 0.000 1.004 538 E CA 1.703 57.980 56.400 -0.205 0.000 0.819 538 E CB 0.036 29.651 29.700 -0.143 0.000 0.738 538 E HN 0.527 nan 8.360 nan 0.000 0.478 539 D N -0.436 119.808 120.400 -0.259 0.000 2.202 539 D HA -0.002 4.637 4.640 -0.001 0.000 0.214 539 D C 0.664 176.807 176.300 -0.262 0.000 0.967 539 D CA 0.104 53.960 54.000 -0.240 0.000 0.871 539 D CB -0.073 40.578 40.800 -0.248 0.000 1.020 539 D HN 0.036 nan 8.370 nan 0.000 0.474 547 K N 0.527 120.772 120.400 -0.259 0.000 2.365 547 K HA 0.010 4.329 4.320 -0.001 0.000 0.199 547 K C 0.613 177.021 176.600 -0.319 0.000 1.045 547 K CA 1.158 57.147 56.287 -0.497 0.000 0.962 547 K CB -0.032 32.140 32.500 -0.547 0.000 0.759 547 K HN 0.427 nan 8.250 nan 0.000 0.469 548 D N -0.049 120.295 120.400 -0.093 0.000 2.348 548 D HA -0.081 4.558 4.640 -0.001 0.000 0.216 548 D C 0.502 176.889 176.300 0.144 0.000 0.970 548 D CA 0.711 54.733 54.000 0.036 0.000 0.889 548 D CB 0.125 40.974 40.800 0.082 0.000 0.912 548 D HN 0.264 nan 8.370 nan 0.000 0.524 549 Y N -1.200 119.013 120.300 -0.145 0.000 2.468 549 Y HA 0.250 4.799 4.550 -0.001 0.000 0.268 549 Y C 1.590 177.425 175.900 -0.109 0.000 1.177 549 Y CA -0.055 57.981 58.100 -0.107 0.000 1.265 549 Y CB 0.968 39.366 38.460 -0.103 0.000 1.103 549 Y HN 0.055 nan 8.280 nan 0.000 0.522 550 G N 1.171 109.936 108.800 -0.058 0.000 2.131 550 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.223 550 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.223 550 G C -0.310 174.528 174.900 -0.103 0.000 0.990 550 G CA -0.107 44.960 45.100 -0.055 0.000 0.671 550 G HN 0.273 nan 8.290 nan 0.000 0.521 551 I N 0.495 120.914 120.570 -0.252 0.000 2.447 551 I HA 0.525 4.694 4.170 -0.001 0.000 0.287 551 I C -0.527 175.317 176.117 -0.455 0.000 1.023 551 I CA -1.190 59.984 61.300 -0.210 0.000 1.083 551 I CB 1.365 39.296 38.000 -0.114 0.000 1.245 551 I HN 0.080 nan 8.210 nan 0.000 0.434 552 Y N 6.449 126.587 120.300 -0.270 0.000 2.352 552 Y HA 0.619 5.168 4.550 -0.001 0.000 0.339 552 Y C -0.141 175.569 175.900 -0.318 0.000 0.992 552 Y CA -0.742 57.056 58.100 -0.503 0.000 1.100 552 Y CB 1.538 39.520 38.460 -0.798 0.000 1.192 552 Y HN 0.315 nan 8.280 nan 0.000 0.458 553 I N 3.974 124.471 120.570 -0.121 0.000 2.437 553 I HA 0.247 4.416 4.170 -0.001 0.000 0.279 553 I C -0.757 175.460 176.117 0.165 0.000 1.028 553 I CA -0.687 60.616 61.300 0.006 0.000 1.142 553 I CB 0.943 38.916 38.000 -0.045 0.000 1.266 553 I HN 0.302 nan 8.210 nan 0.000 0.461 554 V N 4.418 124.462 119.914 0.217 0.000 2.673 554 V HA -0.056 4.063 4.120 -0.001 0.000 0.303 554 V C 0.475 176.619 176.094 0.083 0.000 1.046 554 V CA 0.207 62.638 62.300 0.219 0.000 1.126 554 V CB 0.829 32.743 31.823 0.153 0.000 0.934 554 V HN 0.656 nan 8.190 nan 0.000 0.487 555 D N 4.878 125.319 120.400 0.068 0.000 2.422 555 D HA 0.142 4.782 4.640 -0.001 0.000 0.227 555 D C 1.012 177.289 176.300 -0.038 0.000 1.190 555 D CA -0.252 53.751 54.000 0.005 0.000 0.905 555 D CB 0.489 41.332 40.800 0.071 0.000 1.034 555 D HN 0.338 nan 8.370 nan 0.000 0.507 556 R N 2.790 123.229 120.500 -0.101 0.000 2.310 556 R HA 0.087 4.427 4.340 -0.001 0.000 0.202 556 R C 1.652 177.852 176.300 -0.167 0.000 0.933 556 R CA 0.091 56.147 56.100 -0.073 0.000 1.054 556 R CB 0.320 30.604 30.300 -0.026 0.000 0.985 556 R HN 0.423 nan 8.270 nan 0.000 0.489 557 R N -0.736 119.527 120.500 -0.394 0.000 2.087 557 R HA 0.058 4.398 4.340 -0.001 0.000 0.216 557 R C 1.100 177.107 176.300 -0.489 0.000 1.114 557 R CA 1.042 56.743 56.100 -0.664 0.000 1.002 557 R CB 0.164 29.709 30.300 -1.259 0.000 0.903 557 R HN -0.008 nan 8.270 nan 0.000 0.445 558 F N 0.740 120.673 119.950 -0.028 0.000 2.419 558 F HA 0.275 4.801 4.527 -0.001 0.000 0.283 558 F C 0.585 176.392 175.800 0.011 0.000 1.044 558 F CA 0.041 58.037 58.000 -0.007 0.000 1.376 558 F CB -0.351 38.635 39.000 -0.023 0.000 1.131 558 F HN -0.308 nan 8.300 nan 0.000 0.585 559 K N 1.495 121.994 120.400 0.165 0.000 2.380 559 K HA 0.393 4.712 4.320 -0.001 0.000 0.267 559 K C 0.179 176.823 176.600 0.073 0.000 0.990 559 K CA -0.055 56.290 56.287 0.096 0.000 0.946 559 K CB 0.464 33.000 32.500 0.061 0.000 0.937 559 K HN 0.085 nan 8.250 nan 0.000 0.491 560 A N 3.309 126.164 122.820 0.058 0.000 2.386 560 A HA 0.162 4.481 4.320 -0.001 0.000 0.248 560 A C -1.468 176.135 177.584 0.032 0.000 1.082 560 A CA -1.265 50.801 52.037 0.049 0.000 0.789 560 A CB -0.155 18.868 19.000 0.039 0.000 1.025 560 A HN 0.492 nan 8.150 nan 0.000 0.490 561 P HA -0.243 nan 4.420 nan 0.000 0.219 561 P C 0.992 178.289 177.300 -0.005 0.000 1.158 561 P CA 1.865 64.967 63.100 0.004 0.000 0.895 561 P CB 0.144 31.837 31.700 -0.011 0.000 0.792 562 D N -0.745 119.652 120.400 -0.005 0.000 2.097 562 D HA -0.150 4.489 4.640 -0.001 0.000 0.197 562 D C 1.661 177.951 176.300 -0.017 0.000 0.984 562 D CA 1.050 55.042 54.000 -0.014 0.000 0.826 562 D CB -0.094 40.697 40.800 -0.015 0.000 0.973 562 D HN 0.292 nan 8.370 nan 0.000 0.460 563 E N 0.099 120.294 120.200 -0.008 0.000 2.409 563 E HA -0.074 4.275 4.350 -0.001 0.000 0.198 563 E C 2.000 178.589 176.600 -0.019 0.000 1.024 563 E CA 0.244 56.636 56.400 -0.014 0.000 0.861 563 E CB 0.128 29.827 29.700 -0.001 0.000 0.788 563 E HN 0.008 nan 8.360 nan 0.000 0.521 564 S N 0.028 115.723 115.700 -0.009 0.000 2.362 564 S HA -0.076 4.394 4.470 -0.001 0.000 0.221 564 S C 2.077 176.666 174.600 -0.018 0.000 1.032 564 S CA 0.464 58.660 58.200 -0.007 0.000 0.973 564 S CB 0.083 63.288 63.200 0.009 0.000 0.849 564 S HN 0.077 nan 8.310 nan 0.000 0.465 565 V N 2.484 122.386 119.914 -0.019 0.000 2.392 565 V HA -0.133 3.987 4.120 -0.001 0.000 0.249 565 V C 2.447 178.518 176.094 -0.037 0.000 1.059 565 V CA 1.559 63.846 62.300 -0.022 0.000 1.051 565 V CB -0.569 31.238 31.823 -0.026 0.000 0.658 565 V HN 0.406 nan 8.190 nan 0.000 0.455 566 E N -0.175 119.996 120.200 -0.048 0.000 2.107 566 E HA -0.227 4.122 4.350 -0.001 0.000 0.191 566 E C 2.194 178.731 176.600 -0.105 0.000 0.982 566 E CA 1.139 57.501 56.400 -0.064 0.000 0.809 566 E CB -0.246 29.419 29.700 -0.057 0.000 0.756 566 E HN 0.739 nan 8.360 nan 0.000 0.459 567 Q N 0.402 120.122 119.800 -0.134 0.000 2.167 567 Q HA -0.133 4.207 4.340 -0.001 0.000 0.202 567 Q C 2.140 177.933 176.000 -0.345 0.000 0.970 567 Q CA 0.669 56.303 55.803 -0.280 0.000 0.855 567 Q CB 0.027 28.619 28.738 -0.243 0.000 0.911 567 Q HN 0.144 nan 8.270 nan 0.000 0.438 568 L N -0.085 121.065 121.223 -0.121 0.000 2.072 568 L HA -0.101 4.238 4.340 -0.001 0.000 0.205 568 L C 2.087 178.949 176.870 -0.014 0.000 1.079 568 L CA 1.363 56.198 54.840 -0.008 0.000 0.752 568 L CB -0.608 41.471 42.059 0.034 0.000 0.906 568 L HN 0.079 nan 8.230 nan 0.000 0.436 569 V N 0.037 119.933 119.914 -0.030 0.000 2.295 569 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 569 V C 2.325 178.409 176.094 -0.016 0.000 1.049 569 V CA 1.920 64.217 62.300 -0.004 0.000 1.024 569 V CB -0.940 30.876 31.823 -0.012 0.000 0.648 569 V HN 0.417 nan 8.190 nan 0.000 0.447 570 D N -0.786 119.559 120.400 -0.092 0.000 2.133 570 D HA -0.200 4.439 4.640 -0.001 0.000 0.195 570 D C 2.072 178.349 176.300 -0.038 0.000 0.997 570 D CA 1.765 55.701 54.000 -0.106 0.000 0.840 570 D CB -0.338 40.334 40.800 -0.213 0.000 0.947 570 D HN 0.613 nan 8.370 nan 0.000 0.452 571 Y N 0.162 120.441 120.300 -0.035 0.000 2.163 571 Y HA -0.123 4.426 4.550 -0.001 0.000 0.288 571 Y C 2.682 178.466 175.900 -0.193 0.000 1.136 571 Y CA 0.341 58.353 58.100 -0.147 0.000 1.147 571 Y CB -0.142 38.142 38.460 -0.293 0.000 0.987 571 Y HN -0.110 nan 8.280 nan 0.000 0.509 572 M N 0.129 119.750 119.600 0.035 0.000 2.065 572 M HA -0.288 4.191 4.480 -0.001 0.000 0.259 572 M C 2.193 178.631 176.300 0.229 0.000 1.071 572 M CA 1.943 57.309 55.300 0.111 0.000 1.109 572 M CB -0.459 32.282 32.600 0.235 0.000 1.313 572 M HN 0.231 nan 8.290 nan 0.000 0.408 573 E N 0.562 120.855 120.200 0.155 0.000 2.035 573 E HA -0.323 4.026 4.350 -0.001 0.000 0.204 573 E C 1.883 178.563 176.600 0.133 0.000 1.025 573 E CA 2.158 58.632 56.400 0.123 0.000 0.835 573 E CB -0.212 29.532 29.700 0.073 0.000 0.764 573 E HN 0.504 nan 8.360 nan 0.000 0.457 574 E N -0.667 119.618 120.200 0.142 0.000 2.136 574 E HA -0.266 4.083 4.350 -0.001 0.000 0.202 574 E C 1.932 178.638 176.600 0.176 0.000 1.019 574 E CA 1.601 58.098 56.400 0.161 0.000 0.819 574 E CB -0.336 29.502 29.700 0.230 0.000 0.739 574 E HN 0.394 nan 8.360 nan 0.000 0.458 575 F N 0.360 120.346 119.950 0.059 0.000 2.259 575 F HA -0.114 4.413 4.527 -0.001 0.000 0.298 575 F C 1.995 177.848 175.800 0.088 0.000 1.088 575 F CA 0.910 58.947 58.000 0.061 0.000 1.358 575 F CB -0.106 38.866 39.000 -0.046 0.000 1.040 575 F HN -0.111 nan 8.300 nan 0.000 0.505 576 V N 0.894 120.883 119.914 0.126 0.000 2.237 576 V HA -0.303 3.816 4.120 -0.001 0.000 0.245 576 V C 1.902 177.945 176.094 -0.084 0.000 1.046 576 V CA 2.053 64.353 62.300 0.000 0.000 1.007 576 V CB -0.643 31.214 31.823 0.057 0.000 0.638 576 V HN 0.189 nan 8.190 nan 0.000 0.445 577 K N 0.566 120.949 120.400 -0.028 0.000 2.720 577 K HA -0.051 4.268 4.320 -0.001 0.000 0.206 577 K C 0.465 177.033 176.600 -0.053 0.000 1.000 577 K CA 0.242 56.509 56.287 -0.033 0.000 1.067 577 K CB -0.249 32.251 32.500 0.001 0.000 0.861 577 K HN 0.316 nan 8.250 nan 0.000 0.492 578 K N 1.877 122.209 120.400 -0.112 0.000 2.183 578 K HA 0.057 4.376 4.320 -0.001 0.000 0.274 578 K C -0.033 176.492 176.600 -0.125 0.000 1.009 578 K CA -0.363 55.850 56.287 -0.123 0.000 0.888 578 K CB 1.078 33.446 32.500 -0.220 0.000 1.078 578 K HN 0.017 nan 8.250 nan 0.000 0.459 579 T N 1.005 115.513 114.554 -0.077 0.000 2.918 579 T HA 0.174 4.523 4.350 -0.001 0.000 0.302 579 T C 1.386 176.046 174.700 -0.067 0.000 1.045 579 T CA -0.093 61.969 62.100 -0.063 0.000 1.114 579 T CB 1.499 70.345 68.868 -0.036 0.000 0.965 579 T HN 0.609 nan 8.240 nan 0.000 0.540 580 A N 2.656 125.443 122.820 -0.054 0.000 1.997 580 A HA 0.010 4.329 4.320 -0.001 0.000 0.221 580 A C 2.601 180.173 177.584 -0.020 0.000 1.172 580 A CA 2.273 54.289 52.037 -0.035 0.000 0.645 580 A CB -1.509 17.482 19.000 -0.015 0.000 0.813 580 A HN 1.309 nan 8.150 nan 0.000 0.454 581 A N -0.666 122.143 122.820 -0.019 0.000 1.841 581 A HA -0.206 4.113 4.320 -0.001 0.000 0.214 581 A C 2.077 179.654 177.584 -0.011 0.000 1.195 581 A CA 1.610 53.641 52.037 -0.010 0.000 0.611 581 A CB -0.740 18.256 19.000 -0.007 0.000 0.835 581 A HN 0.626 nan 8.150 nan 0.000 0.443 582 Q N -0.494 119.296 119.800 -0.016 0.000 2.197 582 Q HA -0.137 4.202 4.340 -0.001 0.000 0.207 582 Q C 2.248 178.245 176.000 -0.005 0.000 0.984 582 Q CA 1.480 57.279 55.803 -0.007 0.000 0.869 582 Q CB -0.405 28.328 28.738 -0.008 0.000 0.906 582 Q HN 0.696 nan 8.270 nan 0.000 0.426 583 A N 0.734 123.536 122.820 -0.029 0.000 1.898 583 A HA -0.061 4.258 4.320 -0.001 0.000 0.214 583 A C 2.011 179.603 177.584 0.013 0.000 1.183 583 A CA 0.604 52.630 52.037 -0.019 0.000 0.622 583 A CB -0.364 18.583 19.000 -0.088 0.000 0.824 583 A HN 0.268 nan 8.150 nan 0.000 0.444 584 I N 0.400 120.971 120.570 0.002 0.000 2.335 584 I HA -0.258 3.911 4.170 -0.001 0.000 0.251 584 I C 1.980 178.091 176.117 -0.011 0.000 1.129 584 I CA 1.048 62.347 61.300 -0.001 0.000 1.402 584 I CB -0.447 37.555 38.000 0.003 0.000 1.069 584 I HN 0.338 nan 8.210 nan 0.000 0.424 585 N N 0.565 119.260 118.700 -0.008 0.000 2.109 585 N HA -0.184 4.555 4.740 -0.001 0.000 0.188 585 N C 1.773 177.263 175.510 -0.033 0.000 1.034 585 N CA 0.969 54.008 53.050 -0.019 0.000 0.846 585 N CB -0.442 38.040 38.487 -0.008 0.000 1.010 585 N HN 0.361 nan 8.380 nan 0.000 0.425 586 Q N 0.924 120.723 119.800 -0.002 0.000 2.062 586 Q HA -0.153 4.186 4.340 -0.001 0.000 0.209 586 Q C 2.099 178.081 176.000 -0.030 0.000 0.996 586 Q CA 1.595 57.401 55.803 0.006 0.000 0.859 586 Q CB 0.024 28.823 28.738 0.102 0.000 0.920 586 Q HN 0.260 nan 8.270 nan 0.000 0.415 587 R N -0.202 120.295 120.500 -0.006 0.000 2.096 587 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 587 R C 1.955 178.212 176.300 -0.073 0.000 1.127 587 R CA 1.357 57.436 56.100 -0.035 0.000 0.968 587 R CB -0.156 30.115 30.300 -0.048 0.000 0.861 587 R HN 0.389 nan 8.270 nan 0.000 0.440 588 N N 0.459 119.114 118.700 -0.075 0.000 2.223 588 N HA -0.139 4.600 4.740 -0.001 0.000 0.185 588 N C 1.654 177.075 175.510 -0.150 0.000 1.016 588 N CA 1.065 54.063 53.050 -0.087 0.000 0.863 588 N CB -0.078 38.370 38.487 -0.065 0.000 0.983 588 N HN 0.270 nan 8.380 nan 0.000 0.429 589 R N -0.149 120.219 120.500 -0.219 0.000 2.062 589 R HA -0.029 4.311 4.340 -0.001 0.000 0.226 589 R C 2.254 178.280 176.300 -0.458 0.000 1.125 589 R CA 1.571 57.399 56.100 -0.454 0.000 0.966 589 R CB -0.600 29.336 30.300 -0.607 0.000 0.861 589 R HN 0.288 nan 8.270 nan 0.000 0.433 590 T N -0.895 113.502 114.554 -0.262 0.000 2.995 590 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 590 T C 1.653 176.298 174.700 -0.093 0.000 1.091 590 T CA 1.109 63.123 62.100 -0.143 0.000 1.128 590 T CB 0.042 68.876 68.868 -0.055 0.000 0.891 590 T HN 0.268 nan 8.240 nan 0.000 0.492 591 E N 0.088 120.228 120.200 -0.100 0.000 2.338 591 E HA -0.052 4.297 4.350 -0.001 0.000 0.197 591 E C 2.386 178.952 176.600 -0.057 0.000 1.007 591 E CA 0.499 56.860 56.400 -0.064 0.000 0.849 591 E CB 0.069 29.733 29.700 -0.060 0.000 0.774 591 E HN 0.527 nan 8.360 nan 0.000 0.506 592 R N -0.558 119.887 120.500 -0.092 0.000 2.156 592 R HA 0.116 4.455 4.340 -0.001 0.000 0.207 592 R C 2.298 178.593 176.300 -0.007 0.000 1.040 592 R CA 0.161 56.226 56.100 -0.059 0.000 1.013 592 R CB 0.075 30.316 30.300 -0.100 0.000 0.931 592 R HN 0.194 nan 8.270 nan 0.000 0.465 593 L N 0.643 121.864 121.223 -0.004 0.000 2.261 593 L HA -0.210 4.129 4.340 -0.001 0.000 0.216 593 L C 2.431 179.334 176.870 0.056 0.000 1.114 593 L CA 0.828 55.709 54.840 0.068 0.000 0.777 593 L CB -0.446 41.669 42.059 0.094 0.000 0.910 593 L HN 0.221 nan 8.230 nan 0.000 0.440 594 S N 0.681 116.396 115.700 0.026 0.000 2.407 594 S HA -0.337 4.132 4.470 -0.001 0.000 0.244 594 S C 1.461 176.085 174.600 0.040 0.000 1.077 594 S CA 2.494 60.708 58.200 0.023 0.000 1.159 594 S CB -0.284 62.922 63.200 0.010 0.000 1.045 594 S HN 0.525 nan 8.310 nan 0.000 0.438 595 D N 0.512 120.937 120.400 0.042 0.000 2.312 595 D HA 0.063 4.702 4.640 -0.001 0.000 0.211 595 D C 1.382 177.716 176.300 0.057 0.000 0.964 595 D CA 0.488 54.517 54.000 0.048 0.000 0.877 595 D CB -0.131 40.695 40.800 0.043 0.000 0.924 595 D HN 0.404 nan 8.370 nan 0.000 0.515 596 L N 0.139 121.403 121.223 0.069 0.000 2.650 596 L HA 0.089 4.428 4.340 -0.001 0.000 0.235 596 L C 1.032 177.963 176.870 0.102 0.000 1.149 596 L CA 0.329 55.219 54.840 0.085 0.000 0.887 596 L CB 0.029 42.142 42.059 0.089 0.000 1.021 596 L HN 0.135 nan 8.230 nan 0.000 0.441 597 L N -1.476 119.791 121.223 0.072 0.000 3.016 597 L HA 0.231 4.571 4.340 -0.001 0.000 0.267 597 L C 0.446 177.278 176.870 -0.065 0.000 1.182 597 L CA -0.087 54.778 54.840 0.042 0.000 0.997 597 L CB 0.546 42.661 42.059 0.094 0.000 1.354 597 L HN 0.128 nan 8.230 nan 0.000 0.569 598 D N -0.495 119.893 120.400 -0.020 0.000 2.304 598 D HA -0.034 4.606 4.640 -0.001 0.000 0.247 598 D C 0.501 176.801 176.300 -0.001 0.000 1.089 598 D CA -0.253 53.736 54.000 -0.018 0.000 0.910 598 D CB 1.241 42.073 40.800 0.052 0.000 1.199 598 D HN 0.075 nan 8.370 nan 0.000 0.426 599 W N 2.369 123.674 121.300 0.009 0.000 2.342 599 W HA -0.160 4.499 4.660 -0.002 0.000 0.297 599 W C 2.374 178.877 176.519 -0.026 0.000 1.213 599 W CA 0.254 57.576 57.345 -0.038 0.000 1.251 599 W CB 0.138 29.548 29.460 -0.084 0.000 1.136 599 W HN 0.442 nan 8.180 nan 0.000 0.526 600 K N -0.159 120.377 120.400 0.228 0.000 2.228 600 K HA -0.265 4.054 4.320 -0.001 0.000 0.205 600 K C 1.956 178.631 176.600 0.125 0.000 1.045 600 K CA 1.638 58.006 56.287 0.135 0.000 0.931 600 K CB -0.266 32.288 32.500 0.090 0.000 0.727 600 K HN 0.275 nan 8.250 nan 0.000 0.458 601 R N -0.087 120.491 120.500 0.131 0.000 2.164 601 R HA 0.122 4.462 4.340 -0.001 0.000 0.198 601 R C 2.125 178.515 176.300 0.150 0.000 1.028 601 R CA 0.147 56.319 56.100 0.119 0.000 1.083 601 R CB 0.209 30.565 30.300 0.094 0.000 1.026 601 R HN 0.002 nan 8.270 nan 0.000 0.514 602 M N 0.624 120.312 119.600 0.146 0.000 2.296 602 M HA 0.014 4.493 4.480 -0.001 0.000 0.265 602 M C 2.121 178.630 176.300 0.348 0.000 1.064 602 M CA 1.436 56.823 55.300 0.145 0.000 1.109 602 M CB -0.690 31.827 32.600 -0.137 0.000 1.396 602 M HN 0.379 nan 8.290 nan 0.000 0.430 603 G N 1.210 110.267 108.800 0.429 0.000 2.440 603 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.218 603 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.218 603 G C 1.597 176.647 174.900 0.249 0.000 1.154 603 G CA 0.487 45.772 45.100 0.309 0.000 0.767 603 G HN 0.405 nan 8.290 nan 0.000 0.552 604 L N 0.382 121.724 121.223 0.197 0.000 2.171 604 L HA -0.189 4.150 4.340 -0.001 0.000 0.216 604 L C 2.821 179.802 176.870 0.186 0.000 1.084 604 L CA 1.301 56.240 54.840 0.166 0.000 0.771 604 L CB -0.391 41.746 42.059 0.131 0.000 0.890 604 L HN 0.203 nan 8.230 nan 0.000 0.437 605 E N -0.751 119.585 120.200 0.226 0.000 2.204 605 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 605 E C 2.031 178.749 176.600 0.196 0.000 0.989 605 E CA 1.264 57.780 56.400 0.193 0.000 0.824 605 E CB -0.173 29.638 29.700 0.186 0.000 0.756 605 E HN 0.595 nan 8.360 nan 0.000 0.477 606 Y N 0.075 120.440 120.300 0.108 0.000 2.286 606 Y HA -0.136 4.413 4.550 -0.001 0.000 0.293 606 Y C 2.404 178.372 175.900 0.113 0.000 1.124 606 Y CA 0.420 58.586 58.100 0.111 0.000 1.178 606 Y CB 0.125 38.623 38.460 0.065 0.000 1.010 606 Y HN -0.152 nan 8.280 nan 0.000 0.536 607 V N 0.398 120.475 119.914 0.271 0.000 2.287 607 V HA -0.345 3.775 4.120 -0.001 0.000 0.248 607 V C 2.032 178.218 176.094 0.154 0.000 1.053 607 V CA 1.948 64.376 62.300 0.213 0.000 1.027 607 V CB -0.549 31.380 31.823 0.177 0.000 0.646 607 V HN 0.350 nan 8.190 nan 0.000 0.447 608 K N 0.215 120.688 120.400 0.123 0.000 2.152 608 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 608 K C 2.200 178.818 176.600 0.031 0.000 1.048 608 K CA 1.501 57.833 56.287 0.075 0.000 0.933 608 K CB -0.331 32.207 32.500 0.062 0.000 0.721 608 K HN 0.512 nan 8.250 nan 0.000 0.447 609 A N 1.165 123.993 122.820 0.013 0.000 2.021 609 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 609 A C 1.944 179.501 177.584 -0.045 0.000 1.163 609 A CA 0.633 52.637 52.037 -0.054 0.000 0.676 609 A CB -0.109 18.811 19.000 -0.134 0.000 0.818 609 A HN 0.161 nan 8.150 nan 0.000 0.453 610 R N -0.438 120.083 120.500 0.035 0.000 2.073 610 R HA -0.070 4.269 4.340 -0.001 0.000 0.229 610 R C 2.302 178.600 176.300 -0.003 0.000 1.120 610 R CA 1.422 57.553 56.100 0.051 0.000 0.967 610 R CB -0.286 30.131 30.300 0.195 0.000 0.862 610 R HN 0.614 nan 8.270 nan 0.000 0.436 611 Q N 0.474 120.296 119.800 0.037 0.000 2.167 611 Q HA -0.131 4.208 4.340 -0.001 0.000 0.202 611 Q C 2.137 178.067 176.000 -0.115 0.000 0.970 611 Q CA 0.866 56.689 55.803 0.032 0.000 0.855 611 Q CB -0.073 28.754 28.738 0.149 0.000 0.911 611 Q HN 0.162 nan 8.270 nan 0.000 0.438 612 L N 0.854 122.011 121.223 -0.110 0.000 2.046 612 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 612 L C 2.182 178.920 176.870 -0.218 0.000 1.077 612 L CA 2.099 56.833 54.840 -0.177 0.000 0.747 612 L CB -0.835 41.157 42.059 -0.113 0.000 0.896 612 L HN 0.099 nan 8.230 nan 0.000 0.432 613 A N -0.371 122.348 122.820 -0.170 0.000 1.883 613 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 613 A C 2.279 179.707 177.584 -0.261 0.000 1.186 613 A CA 2.168 54.097 52.037 -0.181 0.000 0.624 613 A CB -1.023 17.899 19.000 -0.130 0.000 0.822 613 A HN 0.515 nan 8.150 nan 0.000 0.444 614 L N -1.099 119.975 121.223 -0.248 0.000 2.083 614 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 614 L C 2.715 179.372 176.870 -0.356 0.000 1.083 614 L CA 1.732 56.419 54.840 -0.256 0.000 0.752 614 L CB -0.405 41.614 42.059 -0.066 0.000 0.899 614 L HN 0.466 nan 8.230 nan 0.000 0.433 615 R N 0.445 120.552 120.500 -0.656 0.000 2.236 615 R HA -0.039 4.301 4.340 -0.001 0.000 0.208 615 R C 2.048 178.077 176.300 -0.451 0.000 1.036 615 R CA 1.100 56.602 56.100 -0.996 0.000 1.001 615 R CB -0.156 29.108 30.300 -1.727 0.000 0.896 615 R HN 0.195 nan 8.270 nan 0.000 0.464 616 R N -1.054 119.240 120.500 -0.342 0.000 2.254 616 R HA 0.205 4.545 4.340 -0.001 0.000 0.195 616 R C 1.790 177.961 176.300 -0.215 0.000 0.957 616 R CA 0.789 56.756 56.100 -0.221 0.000 1.024 616 R CB 0.264 30.457 30.300 -0.178 0.000 0.952 616 R HN 0.399 nan 8.270 nan 0.000 0.484 617 G N -0.202 108.389 108.800 -0.348 0.000 2.437 617 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.212 617 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.212 617 G C 0.372 175.047 174.900 -0.376 0.000 1.174 617 G CA 0.175 44.968 45.100 -0.511 0.000 0.811 617 G HN 0.251 nan 8.290 nan 0.000 0.537 618 Y N 0.654 120.958 120.300 0.006 0.000 2.747 618 Y HA 0.324 4.873 4.550 -0.001 0.000 0.362 618 Y C -1.717 174.228 175.900 0.075 0.000 1.026 618 Y CA -2.247 55.881 58.100 0.048 0.000 1.135 618 Y CB 1.818 40.326 38.460 0.080 0.000 1.175 618 Y HN 0.077 nan 8.280 nan 0.000 0.643 619 P HA -0.205 nan 4.420 nan 0.000 0.217 619 P C 0.718 178.127 177.300 0.181 0.000 1.151 619 P CA 1.773 64.941 63.100 0.112 0.000 0.849 619 P CB 0.447 32.186 31.700 0.065 0.000 0.787 620 D N -0.704 119.798 120.400 0.170 0.000 2.106 620 D HA -0.104 4.536 4.640 -0.001 0.000 0.203 620 D C 2.053 178.441 176.300 0.146 0.000 0.977 620 D CA 0.994 55.074 54.000 0.134 0.000 0.844 620 D CB -0.731 40.126 40.800 0.095 0.000 1.002 620 D HN 0.318 nan 8.370 nan 0.000 0.461 621 Q N -0.034 119.864 119.800 0.163 0.000 2.181 621 Q HA -0.157 4.182 4.340 -0.001 0.000 0.205 621 Q C 2.065 178.166 176.000 0.168 0.000 0.980 621 Q CA 0.856 56.742 55.803 0.138 0.000 0.862 621 Q CB -0.307 28.506 28.738 0.124 0.000 0.905 621 Q HN 0.258 nan 8.270 nan 0.000 0.429 622 F N 1.630 121.638 119.950 0.097 0.000 2.113 622 F HA -0.126 4.400 4.527 -0.001 0.000 0.297 622 F C 2.627 178.458 175.800 0.051 0.000 1.103 622 F CA 1.294 59.339 58.000 0.075 0.000 1.248 622 F CB 0.017 39.057 39.000 0.067 0.000 0.999 622 F HN -0.133 nan 8.300 nan 0.000 0.475 623 R N 0.477 121.104 120.500 0.212 0.000 2.103 623 R HA -0.189 4.150 4.340 -0.001 0.000 0.242 623 R C 2.059 178.365 176.300 0.011 0.000 1.142 623 R CA 1.966 58.132 56.100 0.110 0.000 0.960 623 R CB -0.316 30.051 30.300 0.112 0.000 0.858 623 R HN 0.303 nan 8.270 nan 0.000 0.439 624 E N 0.209 120.415 120.200 0.011 0.000 2.204 624 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 624 E C 1.710 178.275 176.600 -0.058 0.000 0.989 624 E CA 0.731 57.123 56.400 -0.012 0.000 0.824 624 E CB -0.047 29.657 29.700 0.006 0.000 0.756 624 E HN 0.283 nan 8.360 nan 0.000 0.477 625 L N 0.076 121.224 121.223 -0.124 0.000 2.591 625 L HA -0.017 4.322 4.340 -0.001 0.000 0.228 625 L C 1.608 178.345 176.870 -0.222 0.000 1.133 625 L CA 0.454 55.188 54.840 -0.177 0.000 0.880 625 L CB 0.560 42.475 42.059 -0.239 0.000 1.033 625 L HN -0.120 nan 8.230 nan 0.000 0.450 626 V N -2.435 117.355 119.914 -0.206 0.000 3.029 626 V HA 0.538 4.657 4.120 -0.001 0.000 0.230 626 V C 1.534 177.586 176.094 -0.071 0.000 1.254 626 V CA 0.640 62.847 62.300 -0.154 0.000 1.276 626 V CB 0.445 32.168 31.823 -0.167 0.000 1.080 626 V HN 0.262 nan 8.190 nan 0.000 0.495 627 G N 0.787 109.558 108.800 -0.048 0.000 2.624 627 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.190 627 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.190 627 G C 0.054 174.956 174.900 0.003 0.000 1.008 627 G CA 0.177 45.266 45.100 -0.018 0.000 0.731 627 G HN 0.632 nan 8.290 nan 0.000 0.478 628 E N 0.406 120.613 120.200 0.012 0.000 2.433 628 E HA 0.592 4.941 4.350 -0.001 0.000 0.273 628 E C -0.981 175.661 176.600 0.071 0.000 0.950 628 E CA -1.088 55.334 56.400 0.036 0.000 0.796 628 E CB 1.052 30.772 29.700 0.033 0.000 1.330 628 E HN 0.305 nan 8.360 nan 0.000 0.455 629 E N 1.945 122.190 120.200 0.075 0.000 1.924 629 E HA 0.269 4.619 4.350 -0.001 0.000 0.261 629 E C -0.223 176.436 176.600 0.098 0.000 1.088 629 E CA -0.331 56.130 56.400 0.101 0.000 0.909 629 E CB 0.193 29.937 29.700 0.073 0.000 1.112 629 E HN 0.270 nan 8.360 nan 0.000 0.425 630 L N 2.253 123.564 121.223 0.146 0.000 2.482 630 L HA 0.010 4.349 4.340 -0.001 0.000 0.273 630 L C 0.884 177.798 176.870 0.074 0.000 1.228 630 L CA -0.197 54.718 54.840 0.125 0.000 0.827 630 L CB 0.154 42.334 42.059 0.202 0.000 1.099 630 L HN 0.500 nan 8.230 nan 0.000 0.494 631 N N 1.554 120.283 118.700 0.047 0.000 2.513 631 N HA -0.013 4.726 4.740 -0.001 0.000 0.268 631 N C -0.483 175.021 175.510 -0.010 0.000 1.180 631 N CA -0.123 52.938 53.050 0.018 0.000 0.948 631 N CB 0.564 39.062 38.487 0.017 0.000 1.083 631 N HN 0.572 nan 8.380 nan 0.000 0.455 632 D N 0.455 120.839 120.400 -0.026 0.000 2.891 632 D HA 0.117 4.756 4.640 -0.001 0.000 0.332 632 D C -0.454 175.819 176.300 -0.044 0.000 1.369 632 D CA -0.264 53.702 54.000 -0.057 0.000 0.827 632 D CB -0.530 40.220 40.800 -0.083 0.000 1.141 632 D HN 0.379 nan 8.370 nan 0.000 0.464 633 S N -0.740 114.944 115.700 -0.028 0.000 2.520 633 S HA 0.218 4.687 4.470 -0.001 0.000 0.219 633 S C 0.649 175.236 174.600 -0.021 0.000 1.028 633 S CA -0.295 57.893 58.200 -0.020 0.000 0.921 633 S CB 0.384 63.579 63.200 -0.009 0.000 0.844 633 S HN 0.127 nan 8.310 nan 0.000 0.495 634 N N 0.432 119.118 118.700 -0.023 0.000 2.571 634 N HA 0.478 5.217 4.740 -0.001 0.000 0.273 634 N C 0.343 175.836 175.510 -0.028 0.000 1.340 634 N CA -0.608 52.428 53.050 -0.024 0.000 0.789 634 N CB 1.008 39.487 38.487 -0.013 0.000 1.514 634 N HN 0.020 nan 8.380 nan 0.000 0.499 635 M N -0.421 119.162 119.600 -0.027 0.000 2.288 635 M HA 0.032 4.511 4.480 -0.001 0.000 0.266 635 M C 0.233 176.535 176.300 0.003 0.000 1.072 635 M CA 1.118 56.406 55.300 -0.019 0.000 1.132 635 M CB -0.134 32.453 32.600 -0.022 0.000 1.386 635 M HN 0.322 nan 8.290 nan 0.000 0.432 636 D N 1.331 121.733 120.400 0.003 0.000 2.149 636 D HA 0.017 4.656 4.640 -0.001 0.000 0.201 636 D C 2.084 178.392 176.300 0.015 0.000 0.972 636 D CA 1.286 55.294 54.000 0.014 0.000 0.835 636 D CB -0.051 40.756 40.800 0.011 0.000 0.966 636 D HN 0.312 nan 8.370 nan 0.000 0.476 637 A N 0.289 123.113 122.820 0.007 0.000 2.125 637 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 637 A C 2.043 179.638 177.584 0.018 0.000 1.156 637 A CA 0.724 52.766 52.037 0.010 0.000 0.671 637 A CB -0.333 18.668 19.000 0.003 0.000 0.794 637 A HN 0.232 nan 8.150 nan 0.000 0.459 638 L N -1.659 119.576 121.223 0.019 0.000 2.168 638 L HA 0.431 4.770 4.340 -0.001 0.000 0.203 638 L C 1.294 178.203 176.870 0.065 0.000 1.078 638 L CA 1.376 56.238 54.840 0.037 0.000 0.780 638 L CB -0.276 41.793 42.059 0.017 0.000 0.939 638 L HN 0.312 nan 8.230 nan 0.000 0.451 639 A N 0.000 122.853 122.820 0.055 0.000 2.254 639 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 639 A CA 0.000 52.073 52.037 0.060 0.000 0.836 639 A CB 0.000 19.039 19.000 0.065 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486