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_B 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 XXGELLKSSD 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 0.000 174.543 174.600 -0.095 0.000 1.055 2 S CA 0.000 58.151 58.200 -0.082 0.000 1.107 2 S CB 0.000 63.153 63.200 -0.078 0.000 0.593 3 R N 1.325 121.742 120.500 -0.137 0.000 2.664 3 R HA 0.620 4.961 4.340 0.001 0.000 0.286 3 R C -1.937 174.334 176.300 -0.047 0.000 0.967 3 R CA -0.361 55.665 56.100 -0.123 0.000 0.933 3 R CB 1.160 31.313 30.300 -0.245 0.000 1.146 3 R HN 0.162 nan 8.270 nan 0.000 0.468 4 D N 3.583 124.005 120.400 0.036 0.000 2.373 4 D HA 0.134 4.775 4.640 0.001 0.000 0.227 4 D C 0.870 177.288 176.300 0.197 0.000 1.091 4 D CA -0.190 53.867 54.000 0.095 0.000 0.840 4 D CB 1.010 41.863 40.800 0.088 0.000 1.060 4 D HN 0.442 nan 8.370 nan 0.000 0.502 5 L N 2.593 123.939 121.223 0.205 0.000 2.044 5 L HA -0.114 4.226 4.340 0.001 0.000 0.205 5 L C 2.194 179.233 176.870 0.281 0.000 1.075 5 L CA 0.571 55.599 54.840 0.315 0.000 0.747 5 L CB -0.511 41.735 42.059 0.312 0.000 0.903 5 L HN 0.435 nan 8.230 nan 0.000 0.435 6 Q N 1.668 121.552 119.800 0.140 0.000 1.978 6 Q HA -0.249 4.092 4.340 0.001 0.000 0.211 6 Q C 0.898 176.885 176.000 -0.022 0.000 1.013 6 Q CA 2.191 58.025 55.803 0.050 0.000 0.869 6 Q CB -0.362 28.387 28.738 0.019 0.000 0.953 6 Q HN 0.609 nan 8.270 nan 0.000 0.415 7 N N 0.543 119.267 118.700 0.039 0.000 2.801 7 N HA 0.161 4.902 4.740 0.001 0.000 0.235 7 N C -1.174 174.448 175.510 0.186 0.000 1.069 7 N CA -0.450 52.620 53.050 0.034 0.000 0.946 7 N CB 0.278 38.827 38.487 0.104 0.000 1.212 7 N HN 0.336 nan 8.380 nan 0.000 0.509 8 H N 1.026 120.238 119.070 0.236 0.000 2.630 8 H HA 0.582 5.139 4.556 0.001 0.000 0.343 8 H C -0.419 175.061 175.328 0.252 0.000 1.232 8 H CA -1.200 55.011 56.048 0.272 0.000 1.294 8 H CB 0.677 30.617 29.762 0.297 0.000 1.746 8 H HN 0.206 nan 8.280 nan 0.000 0.593 9 L N 0.539 122.072 121.223 0.517 0.000 2.360 9 L HA 0.362 4.703 4.340 0.001 0.000 0.271 9 L C -0.863 176.313 176.870 0.510 0.000 1.057 9 L CA -1.240 53.854 54.840 0.424 0.000 0.803 9 L CB 1.381 43.648 42.059 0.348 0.000 1.207 9 L HN 0.431 nan 8.230 nan 0.000 0.445 10 L N 2.177 123.585 121.223 0.308 0.000 2.376 10 L HA 0.539 4.880 4.340 0.001 0.000 0.275 10 L C -1.366 175.433 176.870 -0.118 0.000 0.987 10 L CA 0.051 54.993 54.840 0.170 0.000 0.828 10 L CB 1.321 43.360 42.059 -0.034 0.000 1.249 10 L HN 0.205 nan 8.230 nan 0.000 0.409 11 F N 3.104 123.081 119.950 0.043 0.000 2.467 11 F HA 0.513 5.041 4.527 0.001 0.000 0.336 11 F C 0.179 175.903 175.800 -0.127 0.000 1.123 11 F CA -0.510 57.449 58.000 -0.067 0.000 0.964 11 F CB 1.885 40.876 39.000 -0.015 0.000 1.136 11 F HN 0.443 nan 8.300 nan 0.000 0.447 12 E N 2.134 122.292 120.200 -0.070 0.000 2.145 12 E HA 0.419 4.770 4.350 0.001 0.000 0.262 12 E C -1.220 175.332 176.600 -0.080 0.000 0.883 12 E CA -0.433 55.953 56.400 -0.023 0.000 0.748 12 E CB 1.273 31.001 29.700 0.045 0.000 1.140 12 E HN 0.552 nan 8.360 nan 0.000 0.417 13 T N 1.974 116.462 114.554 -0.111 0.000 2.855 13 T HA 0.852 5.203 4.350 0.001 0.000 0.281 13 T C -0.952 173.795 174.700 0.079 0.000 1.007 13 T CA -0.552 61.497 62.100 -0.084 0.000 1.009 13 T CB 1.591 70.339 68.868 -0.200 0.000 0.983 13 T HN 0.548 nan 8.240 nan 0.000 0.455 14 A N 1.313 124.162 122.820 0.049 0.000 2.581 14 A HA 0.557 4.878 4.320 0.001 0.000 0.294 14 A C 0.787 178.370 177.584 -0.001 0.000 1.035 14 A CA -0.763 51.315 52.037 0.069 0.000 0.684 14 A CB 0.214 19.232 19.000 0.030 0.000 1.282 14 A HN 0.625 nan 8.150 nan 0.000 0.417 15 T N 0.419 114.974 114.554 0.001 0.000 2.915 15 T HA -0.054 4.297 4.350 0.001 0.000 0.269 15 T C 1.181 175.859 174.700 -0.037 0.000 1.071 15 T CA 2.262 64.346 62.100 -0.026 0.000 1.132 15 T CB -0.081 68.759 68.868 -0.047 0.000 0.878 15 T HN 0.680 nan 8.240 nan 0.000 0.479 16 E N 0.954 121.137 120.200 -0.028 0.000 2.478 16 E HA 0.038 4.389 4.350 0.001 0.000 0.194 16 E C 2.269 178.816 176.600 -0.088 0.000 1.045 16 E CA 0.012 56.422 56.400 0.016 0.000 0.868 16 E CB -0.347 29.410 29.700 0.094 0.000 0.885 16 E HN 0.467 nan 8.360 nan 0.000 0.505 17 V N -0.994 118.756 119.914 -0.272 0.000 2.250 17 V HA -0.258 3.863 4.120 0.001 0.000 0.250 17 V C 1.748 177.120 176.094 -1.203 0.000 1.060 17 V CA 2.027 63.929 62.300 -0.663 0.000 1.030 17 V CB -0.656 30.827 31.823 -0.568 0.000 0.643 17 V HN 0.222 nan 8.190 nan 0.000 0.445 18 A N 1.248 123.641 122.820 -0.711 0.000 2.594 18 A HA 0.500 4.821 4.320 0.001 0.000 0.287 18 A C 0.455 177.978 177.584 -0.102 0.000 1.227 18 A CA 0.090 51.722 52.037 -0.675 0.000 0.952 18 A CB -0.859 17.781 19.000 -0.600 0.000 1.161 18 A HN 0.968 nan 8.150 nan 0.000 0.524 19 N N -1.088 117.641 118.700 0.048 0.000 2.500 19 N HA 0.278 5.018 4.740 0.001 0.000 0.291 19 N C -0.553 175.033 175.510 0.126 0.000 1.092 19 N CA -0.717 52.402 53.050 0.115 0.000 0.890 19 N CB 1.080 39.581 38.487 0.025 0.000 1.466 19 N HN 0.122 nan 8.380 nan 0.000 0.507 20 R N 3.108 123.490 120.500 -0.197 0.000 2.413 20 R HA 0.109 4.449 4.340 0.001 0.000 0.333 20 R C -0.755 175.411 176.300 -0.225 0.000 1.074 20 R CA 0.156 55.874 56.100 -0.636 0.000 0.982 20 R CB 0.230 29.869 30.300 -1.101 0.000 0.981 20 R HN 0.674 nan 8.270 nan 0.000 0.452 21 V N 3.138 123.005 119.914 -0.079 0.000 3.359 21 V HA 0.286 4.406 4.120 0.001 0.000 0.270 21 V C 0.616 176.719 176.094 0.015 0.000 1.583 21 V CA 0.648 62.936 62.300 -0.020 0.000 1.019 21 V CB 1.178 33.005 31.823 0.007 0.000 0.831 21 V HN 0.880 nan 8.190 nan 0.000 0.426 22 G N -1.105 107.718 108.800 0.039 0.000 2.911 22 G HA2 0.499 4.460 3.960 0.001 0.000 0.299 22 G HA3 0.499 4.460 3.960 0.001 0.000 0.299 22 G C 0.699 175.655 174.900 0.094 0.000 1.283 22 G CA 0.340 45.480 45.100 0.066 0.000 0.805 22 G HN 0.076 nan 8.290 nan 0.000 0.548 23 G N -0.549 108.316 108.800 0.108 0.000 2.494 23 G HA2 0.050 4.011 3.960 0.001 0.000 0.216 23 G HA3 0.050 4.011 3.960 0.001 0.000 0.216 23 G C 1.569 176.546 174.900 0.129 0.000 1.140 23 G CA 0.654 45.846 45.100 0.153 0.000 0.801 23 G HN 0.441 nan 8.290 nan 0.000 0.536 24 I N -0.310 120.262 120.570 0.004 0.000 2.530 24 I HA -0.175 3.996 4.170 0.001 0.000 0.257 24 I C 2.310 178.441 176.117 0.024 0.000 1.179 24 I CA 0.838 62.062 61.300 -0.127 0.000 1.440 24 I CB -0.230 37.633 38.000 -0.227 0.000 1.087 24 I HN 0.280 nan 8.210 nan 0.000 0.440 25 Y N 1.509 121.810 120.300 0.002 0.000 2.070 25 Y HA -0.319 4.232 4.550 0.001 0.000 0.280 25 Y C 2.766 178.729 175.900 0.105 0.000 1.148 25 Y CA 2.133 60.283 58.100 0.084 0.000 1.125 25 Y CB -0.201 38.306 38.460 0.079 0.000 0.975 25 Y HN 0.028 nan 8.280 nan 0.000 0.492 26 S N -0.439 115.474 115.700 0.354 0.000 2.399 26 S HA -0.183 4.288 4.470 0.001 0.000 0.231 26 S C 1.973 176.636 174.600 0.105 0.000 1.022 26 S CA 1.316 59.620 58.200 0.173 0.000 0.983 26 S CB -0.553 62.665 63.200 0.031 0.000 0.803 26 S HN 0.365 nan 8.310 nan 0.000 0.480 27 V N 2.043 122.060 119.914 0.172 0.000 2.283 27 V HA -0.115 4.006 4.120 0.001 0.000 0.243 27 V C 2.195 178.294 176.094 0.009 0.000 1.039 27 V CA 1.387 63.817 62.300 0.216 0.000 1.016 27 V CB -0.818 31.108 31.823 0.172 0.000 0.650 27 V HN 0.407 nan 8.190 nan 0.000 0.449 28 L N 0.007 121.175 121.223 -0.092 0.000 2.012 28 L HA -0.241 4.099 4.340 0.001 0.000 0.210 28 L C 2.671 179.418 176.870 -0.205 0.000 1.073 28 L CA 2.097 56.855 54.840 -0.137 0.000 0.748 28 L CB -0.735 41.315 42.059 -0.016 0.000 0.891 28 L HN 0.335 nan 8.230 nan 0.000 0.431 29 K N 0.319 120.545 120.400 -0.291 0.000 2.009 29 K HA -0.238 4.083 4.320 0.001 0.000 0.210 29 K C 2.376 178.749 176.600 -0.378 0.000 1.049 29 K CA 2.139 58.062 56.287 -0.608 0.000 0.929 29 K CB -0.140 32.004 32.500 -0.593 0.000 0.714 29 K HN 0.366 nan 8.250 nan 0.000 0.440 30 S N 0.252 115.868 115.700 -0.141 0.000 2.423 30 S HA -0.122 4.349 4.470 0.001 0.000 0.231 30 S C 1.916 176.489 174.600 -0.045 0.000 1.014 30 S CA 1.171 59.397 58.200 0.043 0.000 0.965 30 S CB -0.088 63.296 63.200 0.306 0.000 0.785 30 S HN 0.316 nan 8.310 nan 0.000 0.495 31 K N 0.716 120.875 120.400 -0.403 0.000 2.365 31 K HA 0.276 4.597 4.320 0.001 0.000 0.197 31 K C 2.181 178.348 176.600 -0.722 0.000 1.042 31 K CA 0.569 56.164 56.287 -1.152 0.000 0.987 31 K CB -0.414 31.208 32.500 -1.464 0.000 0.779 31 K HN 0.464 nan 8.250 nan 0.000 0.484 32 A N 2.288 124.821 122.820 -0.478 0.000 1.859 32 A HA -0.139 4.182 4.320 0.001 0.000 0.217 32 A C -0.757 176.619 177.584 -0.348 0.000 1.198 32 A CA 1.341 53.149 52.037 -0.381 0.000 0.629 32 A CB -1.544 17.233 19.000 -0.372 0.000 0.830 32 A HN 0.232 nan 8.150 nan 0.000 0.446 33 P HA -0.187 nan 4.420 nan 0.000 0.211 33 P C 1.557 178.728 177.300 -0.215 0.000 1.181 33 P CA 1.240 64.215 63.100 -0.208 0.000 0.929 33 P CB -0.142 31.470 31.700 -0.146 0.000 0.789 34 I N -0.726 119.710 120.570 -0.224 0.000 2.248 34 I HA -0.254 3.917 4.170 0.001 0.000 0.248 34 I C 2.205 178.178 176.117 -0.240 0.000 1.107 34 I CA 2.342 63.528 61.300 -0.190 0.000 1.373 34 I CB -1.203 36.713 38.000 -0.140 0.000 1.055 34 I HN 0.079 nan 8.210 nan 0.000 0.418 35 T N -2.822 111.488 114.554 -0.408 0.000 2.896 35 T HA -0.059 4.292 4.350 0.001 0.000 0.263 35 T C 1.926 176.409 174.700 -0.361 0.000 1.050 35 T CA 1.382 63.202 62.100 -0.466 0.000 1.140 35 T CB -0.783 67.543 68.868 -0.902 0.000 0.877 35 T HN 0.110 nan 8.240 nan 0.000 0.457 36 V N 2.125 121.831 119.914 -0.348 0.000 2.515 36 V HA -0.000 4.121 4.120 0.001 0.000 0.250 36 V C 3.272 179.307 176.094 -0.097 0.000 1.058 36 V CA 1.455 63.651 62.300 -0.172 0.000 1.064 36 V CB -1.431 30.315 31.823 -0.128 0.000 0.675 36 V HN 0.703 nan 8.190 nan 0.000 0.461 37 A N -0.737 122.017 122.820 -0.111 0.000 1.933 37 A HA -0.311 4.010 4.320 0.001 0.000 0.218 37 A C 2.252 179.791 177.584 -0.075 0.000 1.175 37 A CA 2.229 54.217 52.037 -0.083 0.000 0.628 37 A CB -0.404 18.549 19.000 -0.077 0.000 0.814 37 A HN 0.611 nan 8.150 nan 0.000 0.444 38 Q N -2.261 117.511 119.800 -0.047 0.000 2.089 38 Q HA -0.080 4.261 4.340 0.001 0.000 0.195 38 Q C 1.636 177.518 176.000 -0.196 0.000 0.963 38 Q CA 1.333 57.078 55.803 -0.096 0.000 0.834 38 Q CB -0.072 28.651 28.738 -0.026 0.000 0.906 38 Q HN 0.776 nan 8.270 nan 0.000 0.452 39 Y N -0.373 119.844 120.300 -0.138 0.000 2.503 39 Y HA 0.094 4.645 4.550 0.001 0.000 0.277 39 Y C 1.124 176.963 175.900 -0.102 0.000 1.102 39 Y CA 0.089 58.140 58.100 -0.083 0.000 1.261 39 Y CB 0.593 39.071 38.460 0.029 0.000 1.096 39 Y HN 0.006 nan 8.280 nan 0.000 0.546 40 K N -0.078 120.347 120.400 0.041 0.000 2.081 40 K HA -0.298 4.023 4.320 0.001 0.000 0.150 40 K C 0.323 176.947 176.600 0.041 0.000 0.905 40 K CA 2.109 58.392 56.287 -0.007 0.000 0.333 40 K CB -1.445 31.007 32.500 -0.081 0.000 0.733 40 K HN 0.208 nan 8.250 nan 0.000 0.766 41 D N -0.426 120.006 120.400 0.053 0.000 2.339 41 D HA 0.045 4.686 4.640 0.001 0.000 0.217 41 D C 1.001 177.444 176.300 0.237 0.000 1.050 41 D CA 0.248 54.293 54.000 0.075 0.000 0.856 41 D CB -0.004 40.854 40.800 0.098 0.000 0.922 41 D HN 0.311 nan 8.370 nan 0.000 0.518 42 H N -0.716 118.398 119.070 0.073 0.000 2.529 42 H HA -0.003 4.554 4.556 0.001 0.000 0.277 42 H C -0.064 175.343 175.328 0.131 0.000 0.999 42 H CA 0.330 56.446 56.048 0.112 0.000 1.256 42 H CB -0.254 29.569 29.762 0.101 0.000 1.402 42 H HN 0.212 nan 8.280 nan 0.000 0.566 43 Y N 1.106 121.433 120.300 0.044 0.000 2.331 43 Y HA 0.379 4.929 4.550 0.001 0.000 0.338 43 Y C -0.897 174.797 175.900 -0.343 0.000 0.992 43 Y CA -1.060 56.947 58.100 -0.155 0.000 1.121 43 Y CB 0.392 38.756 38.460 -0.159 0.000 1.184 43 Y HN 0.041 nan 8.280 nan 0.000 0.469 44 H N 4.880 123.439 119.070 -0.852 0.000 2.690 44 H HA 0.550 5.107 4.556 0.001 0.000 0.368 44 H C -1.231 173.596 175.328 -0.834 0.000 1.150 44 H CA -0.728 54.895 56.048 -0.708 0.000 1.174 44 H CB 1.840 31.335 29.762 -0.445 0.000 1.684 44 H HN 0.694 nan 8.280 nan 0.000 0.538 45 L N 3.118 124.045 121.223 -0.493 0.000 2.322 45 L HA 0.530 4.871 4.340 0.001 0.000 0.279 45 L C -0.663 176.051 176.870 -0.260 0.000 1.036 45 L CA -0.414 54.202 54.840 -0.374 0.000 0.807 45 L CB 1.083 42.979 42.059 -0.271 0.000 1.226 45 L HN 0.454 nan 8.230 nan 0.000 0.433 46 I N 1.634 122.080 120.570 -0.205 0.000 2.582 46 I HA 0.780 4.951 4.170 0.001 0.000 0.292 46 I C 0.113 176.141 176.117 -0.148 0.000 1.066 46 I CA -0.347 60.837 61.300 -0.193 0.000 1.053 46 I CB 2.069 40.003 38.000 -0.111 0.000 1.241 46 I HN 0.663 nan 8.210 nan 0.000 0.421 47 G N 5.150 113.858 108.800 -0.153 0.000 2.606 47 G HA2 0.658 4.619 3.960 0.001 0.000 0.300 47 G HA3 0.658 4.619 3.960 0.001 0.000 0.300 47 G C -3.382 171.479 174.900 -0.064 0.000 1.360 47 G CA -0.991 44.049 45.100 -0.099 0.000 0.783 47 G HN 0.258 nan 8.290 nan 0.000 0.484 48 P HA 0.410 nan 4.420 nan 0.000 0.288 48 P C -0.499 176.772 177.300 -0.048 0.000 1.267 48 P CA -0.702 62.402 63.100 0.005 0.000 0.815 48 P CB 1.613 33.326 31.700 0.022 0.000 0.989 49 L N 3.342 124.533 121.223 -0.053 0.000 2.433 49 L HA 0.225 4.565 4.340 0.001 0.000 0.284 49 L C 0.215 177.036 176.870 -0.081 0.000 1.120 49 L CA -0.021 54.744 54.840 -0.126 0.000 0.879 49 L CB -1.253 40.685 42.059 -0.202 0.000 1.232 49 L HN 0.263 nan 8.230 nan 0.000 0.454 50 N N 4.069 122.745 118.700 -0.041 0.000 2.399 50 N HA 0.013 4.754 4.740 0.001 0.000 0.259 50 N C 0.662 176.221 175.510 0.081 0.000 1.160 50 N CA 0.328 53.388 53.050 0.017 0.000 0.946 50 N CB 0.674 39.177 38.487 0.027 0.000 1.156 50 N HN 0.630 nan 8.380 nan 0.000 0.489 51 K N 2.419 122.863 120.400 0.072 0.000 2.362 51 K HA -0.013 4.308 4.320 0.001 0.000 0.200 51 K C 1.134 177.878 176.600 0.240 0.000 1.046 51 K CA 1.026 57.414 56.287 0.169 0.000 0.952 51 K CB 0.210 32.763 32.500 0.088 0.000 0.753 51 K HN 0.589 nan 8.250 nan 0.000 0.466 52 A N 0.682 123.582 122.820 0.133 0.000 2.275 52 A HA -0.007 4.314 4.320 0.001 0.000 0.212 52 A C 1.623 179.238 177.584 0.052 0.000 1.201 52 A CA 0.991 53.074 52.037 0.077 0.000 0.843 52 A CB -0.051 18.973 19.000 0.039 0.000 0.873 52 A HN 0.340 nan 8.150 nan 0.000 0.492 53 T N -5.070 109.538 114.554 0.090 0.000 3.080 53 T HA 0.041 4.392 4.350 0.001 0.000 0.280 53 T C 1.436 176.167 174.700 0.051 0.000 0.926 53 T CA 0.535 62.662 62.100 0.045 0.000 0.883 53 T CB -0.862 68.031 68.868 0.041 0.000 1.194 53 T HN 0.524 nan 8.240 nan 0.000 0.541 54 Y N 1.858 122.146 120.300 -0.020 0.000 2.352 54 Y HA 0.269 4.820 4.550 0.002 0.000 0.292 54 Y C 1.863 177.755 175.900 -0.013 0.000 1.136 54 Y CA 0.657 58.738 58.100 -0.031 0.000 1.227 54 Y CB -0.462 37.969 38.460 -0.049 0.000 0.991 54 Y HN 0.191 nan 8.280 nan 0.000 0.545 55 Q N 0.834 120.208 119.800 -0.710 0.000 2.344 55 Q HA 0.033 4.374 4.340 0.001 0.000 0.212 55 Q C 0.257 176.128 176.000 -0.216 0.000 0.943 55 Q CA 0.104 55.592 55.803 -0.526 0.000 0.955 55 Q CB -0.086 28.305 28.738 -0.579 0.000 1.000 55 Q HN 0.525 nan 8.270 nan 0.000 0.488 56 N N -1.043 117.588 118.700 -0.115 0.000 2.129 56 N HA 0.038 4.778 4.740 0.001 0.000 0.222 56 N C 0.561 176.085 175.510 0.024 0.000 1.303 56 N CA 0.252 53.276 53.050 -0.042 0.000 0.897 56 N CB 0.957 39.426 38.487 -0.029 0.000 1.093 56 N HN 0.144 nan 8.380 nan 0.000 0.501 57 E N -0.013 120.221 120.200 0.056 0.000 2.474 57 E HA 0.218 4.569 4.350 0.001 0.000 0.215 57 E C -0.309 176.402 176.600 0.185 0.000 0.867 57 E CA 0.329 56.831 56.400 0.170 0.000 1.135 57 E CB 1.961 31.778 29.700 0.195 0.000 1.147 57 E HN -0.105 nan 8.360 nan 0.000 0.534 58 V N 2.403 122.370 119.914 0.089 0.000 2.448 58 V HA 0.191 4.312 4.120 0.001 0.000 0.295 58 V C -0.399 175.724 176.094 0.048 0.000 1.025 58 V CA -0.923 61.426 62.300 0.082 0.000 0.859 58 V CB 1.860 33.740 31.823 0.095 0.000 0.988 58 V HN -0.069 nan 8.190 nan 0.000 0.431 59 D N 4.479 124.905 120.400 0.044 0.000 2.455 59 D HA 0.139 4.780 4.640 0.001 0.000 0.234 59 D C 0.300 176.623 176.300 0.039 0.000 1.224 59 D CA -0.139 53.877 54.000 0.026 0.000 0.999 59 D CB 0.361 41.169 40.800 0.014 0.000 1.072 59 D HN 0.644 nan 8.370 nan 0.000 0.514 60 I N 2.526 123.134 120.570 0.062 0.000 2.752 60 I HA 0.063 4.234 4.170 0.001 0.000 0.289 60 I C -0.887 175.297 176.117 0.111 0.000 1.197 60 I CA 0.001 61.363 61.300 0.104 0.000 1.432 60 I CB 0.349 38.433 38.000 0.141 0.000 1.359 60 I HN 0.174 nan 8.210 nan 0.000 0.571 61 L N 6.001 127.331 121.223 0.180 0.000 2.304 61 L HA 0.430 4.771 4.340 0.001 0.000 0.268 61 L C -0.516 176.498 176.870 0.240 0.000 1.010 61 L CA -0.882 54.079 54.840 0.202 0.000 0.813 61 L CB 1.393 43.608 42.059 0.260 0.000 1.315 61 L HN 0.585 nan 8.230 nan 0.000 0.445 62 D N 0.521 121.001 120.400 0.132 0.000 2.396 62 D HA 0.097 4.737 4.640 0.001 0.000 0.225 62 D C 0.668 176.985 176.300 0.027 0.000 1.121 62 D CA -0.411 53.598 54.000 0.015 0.000 0.853 62 D CB 0.638 41.400 40.800 -0.064 0.000 1.043 62 D HN 0.395 nan 8.370 nan 0.000 0.500 63 W N 3.479 124.801 121.300 0.035 0.000 2.584 63 W HA 0.059 4.719 4.660 0.001 0.000 0.264 63 W C 0.861 177.438 176.519 0.096 0.000 1.264 63 W CA -0.127 57.214 57.345 -0.007 0.000 1.306 63 W CB -0.407 29.003 29.460 -0.083 0.000 1.110 63 W HN 0.278 nan 8.180 nan 0.000 0.606 64 K N 1.437 121.533 120.400 -0.506 0.000 2.097 64 K HA -0.063 4.258 4.320 0.001 0.000 0.205 64 K C 1.004 177.523 176.600 -0.135 0.000 1.050 64 K CA 0.917 56.952 56.287 -0.420 0.000 0.938 64 K CB -0.186 31.931 32.500 -0.639 0.000 0.718 64 K HN -0.081 nan 8.250 nan 0.000 0.442 65 K N 1.232 121.572 120.400 -0.100 0.000 2.511 65 K HA -0.057 4.264 4.320 0.001 0.000 0.280 65 K C -2.090 174.534 176.600 0.040 0.000 1.008 65 K CA -0.821 55.449 56.287 -0.029 0.000 1.050 65 K CB 0.303 32.788 32.500 -0.024 0.000 0.889 65 K HN -0.126 nan 8.250 nan 0.000 0.484 66 P HA -0.181 nan 4.420 nan 0.000 0.217 66 P C 0.300 177.656 177.300 0.092 0.000 1.148 66 P CA 1.329 64.470 63.100 0.068 0.000 0.828 66 P CB 0.271 31.997 31.700 0.044 0.000 0.783 67 E N -0.831 119.405 120.200 0.061 0.000 2.347 67 E HA -0.024 4.327 4.350 0.001 0.000 0.196 67 E C 2.026 178.652 176.600 0.043 0.000 1.008 67 E CA 0.831 57.262 56.400 0.051 0.000 0.852 67 E CB -0.839 28.877 29.700 0.028 0.000 0.783 67 E HN 0.151 nan 8.360 nan 0.000 0.505 68 A N 0.421 123.268 122.820 0.044 0.000 1.892 68 A HA -0.115 4.206 4.320 0.001 0.000 0.218 68 A C 0.573 177.991 177.584 -0.276 0.000 1.188 68 A CA 1.188 53.169 52.037 -0.093 0.000 0.631 68 A CB -0.294 18.675 19.000 -0.051 0.000 0.822 68 A HN 0.195 nan 8.150 nan 0.000 0.447 69 F N -1.194 118.804 119.950 0.080 0.000 2.556 69 F HA 0.486 5.014 4.527 0.001 0.000 0.327 69 F C 0.986 176.843 175.800 0.094 0.000 1.059 69 F CA -0.290 57.773 58.000 0.105 0.000 0.953 69 F CB 1.538 40.592 39.000 0.090 0.000 1.227 69 F HN 0.134 nan 8.300 nan 0.000 0.478 70 S N -0.190 115.694 115.700 0.307 0.000 2.634 70 S HA 0.127 4.598 4.470 0.001 0.000 0.261 70 S C 0.573 175.301 174.600 0.213 0.000 1.271 70 S CA -0.508 57.823 58.200 0.218 0.000 0.985 70 S CB 0.810 64.138 63.200 0.212 0.000 0.968 70 S HN 0.622 nan 8.310 nan 0.000 0.568 71 D N 0.816 121.313 120.400 0.162 0.000 2.097 71 D HA -0.124 4.517 4.640 0.001 0.000 0.197 71 D C 1.962 178.350 176.300 0.147 0.000 0.984 71 D CA 1.814 55.896 54.000 0.136 0.000 0.826 71 D CB -0.520 40.342 40.800 0.104 0.000 0.973 71 D HN 0.936 nan 8.370 nan 0.000 0.460 72 E N -0.123 120.180 120.200 0.171 0.000 2.401 72 E HA -0.138 4.212 4.350 0.001 0.000 0.199 72 E C 1.286 178.045 176.600 0.264 0.000 1.023 72 E CA 0.673 57.194 56.400 0.201 0.000 0.859 72 E CB 0.026 29.876 29.700 0.250 0.000 0.780 72 E HN 0.124 nan 8.360 nan 0.000 0.523 73 M N 0.168 119.907 119.600 0.231 0.000 2.371 73 M HA 0.190 4.671 4.480 0.001 0.000 0.246 73 M C 1.369 177.735 176.300 0.109 0.000 1.103 73 M CA 0.013 55.448 55.300 0.226 0.000 1.010 73 M CB 0.189 33.005 32.600 0.361 0.000 1.457 73 M HN 0.060 nan 8.290 nan 0.000 0.486 74 R N 0.995 121.547 120.500 0.087 0.000 2.133 74 R HA -0.154 4.187 4.340 0.001 0.000 0.247 74 R C -0.827 175.447 176.300 -0.044 0.000 1.151 74 R CA 1.605 57.694 56.100 -0.018 0.000 0.971 74 R CB -2.005 28.368 30.300 0.121 0.000 0.866 74 R HN 0.274 nan 8.270 nan 0.000 0.447 75 P HA -0.071 nan 4.420 nan 0.000 0.218 75 P C 1.494 178.743 177.300 -0.085 0.000 1.148 75 P CA 0.814 63.943 63.100 0.048 0.000 0.822 75 P CB -0.017 31.710 31.700 0.046 0.000 0.784 76 V N -0.284 119.532 119.914 -0.164 0.000 2.427 76 V HA -0.246 3.874 4.120 0.001 0.000 0.248 76 V C 2.688 178.509 176.094 -0.455 0.000 1.051 76 V CA 1.806 63.972 62.300 -0.223 0.000 1.048 76 V CB -1.214 30.571 31.823 -0.063 0.000 0.666 76 V HN 0.167 nan 8.190 nan 0.000 0.456 77 Q N -0.334 118.944 119.800 -0.870 0.000 2.046 77 Q HA -0.235 4.105 4.340 0.001 0.000 0.200 77 Q C 2.221 178.051 176.000 -0.282 0.000 0.975 77 Q CA 2.067 57.411 55.803 -0.765 0.000 0.836 77 Q CB -0.153 28.045 28.738 -0.901 0.000 0.896 77 Q HN 0.785 nan 8.270 nan 0.000 0.428 78 H N -0.524 118.463 119.070 -0.139 0.000 2.387 78 H HA -0.074 4.483 4.556 0.001 0.000 0.299 78 H C 1.927 177.234 175.328 -0.035 0.000 1.090 78 H CA 1.206 57.234 56.048 -0.034 0.000 1.332 78 H CB -0.003 29.739 29.762 -0.033 0.000 1.386 78 H HN 0.434 nan 8.280 nan 0.000 0.516 79 A N 0.896 123.701 122.820 -0.025 0.000 1.858 79 A HA -0.149 4.171 4.320 0.001 0.000 0.216 79 A C 2.277 179.801 177.584 -0.099 0.000 1.190 79 A CA 1.405 53.358 52.037 -0.140 0.000 0.617 79 A CB -0.875 17.888 19.000 -0.396 0.000 0.827 79 A HN 0.327 nan 8.150 nan 0.000 0.443 80 L N -0.801 120.368 121.223 -0.090 0.000 2.127 80 L HA -0.265 4.076 4.340 0.001 0.000 0.211 80 L C 2.834 179.696 176.870 -0.013 0.000 1.089 80 L CA 1.724 56.415 54.840 -0.248 0.000 0.757 80 L CB -0.440 41.330 42.059 -0.482 0.000 0.899 80 L HN 0.521 nan 8.230 nan 0.000 0.434 81 Q N -0.002 119.911 119.800 0.188 0.000 2.083 81 Q HA -0.146 4.195 4.340 0.001 0.000 0.198 81 Q C 2.083 178.216 176.000 0.222 0.000 0.969 81 Q CA 2.327 58.341 55.803 0.351 0.000 0.838 81 Q CB -0.408 28.545 28.738 0.358 0.000 0.900 81 Q HN 0.405 nan 8.270 nan 0.000 0.436 82 T N 1.111 115.750 114.554 0.141 0.000 2.737 82 T HA -0.187 4.164 4.350 0.001 0.000 0.269 82 T C 1.692 176.427 174.700 0.058 0.000 1.040 82 T CA 1.695 63.867 62.100 0.119 0.000 1.142 82 T CB -0.174 68.758 68.868 0.107 0.000 0.861 82 T HN 0.245 nan 8.240 nan 0.000 0.456 83 M N 1.148 120.713 119.600 -0.058 0.000 2.059 83 M HA -0.061 4.420 4.480 0.001 0.000 0.259 83 M C 2.546 178.821 176.300 -0.041 0.000 1.072 83 M CA 1.774 56.919 55.300 -0.259 0.000 1.117 83 M CB -1.232 31.193 32.600 -0.292 0.000 1.320 83 M HN 0.284 nan 8.290 nan 0.000 0.408 84 E N 0.673 121.005 120.200 0.220 0.000 2.114 84 E HA -0.173 4.178 4.350 0.001 0.000 0.199 84 E C 1.978 178.693 176.600 0.192 0.000 1.008 84 E CA 2.356 58.951 56.400 0.326 0.000 0.810 84 E CB -0.180 29.845 29.700 0.543 0.000 0.739 84 E HN 0.322 nan 8.360 nan 0.000 0.456 85 S N -0.112 115.694 115.700 0.176 0.000 2.359 85 S HA -0.132 4.338 4.470 0.001 0.000 0.222 85 S C 1.585 176.259 174.600 0.125 0.000 1.038 85 S CA 1.472 59.762 58.200 0.150 0.000 1.051 85 S CB -0.263 63.029 63.200 0.153 0.000 0.944 85 S HN 0.314 nan 8.310 nan 0.000 0.433 86 R N 0.650 121.222 120.500 0.119 0.000 2.340 86 R HA 0.124 4.465 4.340 0.001 0.000 0.215 86 R C 1.214 177.570 176.300 0.093 0.000 1.017 86 R CA 0.653 56.865 56.100 0.186 0.000 1.111 86 R CB -0.502 30.051 30.300 0.421 0.000 1.049 86 R HN 0.571 nan 8.270 nan 0.000 0.490 87 G N 0.432 109.226 108.800 -0.009 0.000 2.132 87 G HA2 -0.241 3.720 3.960 0.001 0.000 0.234 87 G HA3 -0.241 3.720 3.960 0.001 0.000 0.234 87 G C 0.078 174.781 174.900 -0.329 0.000 0.989 87 G CA -0.109 44.905 45.100 -0.143 0.000 0.676 87 G HN 0.182 nan 8.290 nan 0.000 0.522 88 V N 3.424 123.188 119.914 -0.249 0.000 2.322 88 V HA 0.298 4.419 4.120 0.001 0.000 0.258 88 V C 0.378 176.524 176.094 0.086 0.000 1.074 88 V CA -1.014 61.171 62.300 -0.191 0.000 0.909 88 V CB 0.358 31.961 31.823 -0.367 0.000 1.090 88 V HN 0.332 nan 8.190 nan 0.000 0.486 89 H N 6.079 125.242 119.070 0.155 0.000 2.819 89 H HA 0.390 4.947 4.556 0.001 0.000 0.303 89 H C -0.042 175.402 175.328 0.193 0.000 1.058 89 H CA -0.113 56.004 56.048 0.114 0.000 1.471 89 H CB 0.429 30.211 29.762 0.033 0.000 1.480 89 H HN 0.622 nan 8.280 nan 0.000 0.517 90 F N 0.035 120.026 119.950 0.067 0.000 2.679 90 F HA 0.718 5.245 4.527 0.001 0.000 0.341 90 F C -0.859 174.860 175.800 -0.136 0.000 1.095 90 F CA -1.331 56.592 58.000 -0.128 0.000 1.004 90 F CB 0.795 39.553 39.000 -0.403 0.000 1.388 90 F HN 0.069 nan 8.300 nan 0.000 0.505 91 V N 1.190 121.062 119.914 -0.070 0.000 2.487 91 V HA 0.306 4.427 4.120 0.001 0.000 0.298 91 V C -1.571 174.555 176.094 0.055 0.000 1.028 91 V CA -0.690 61.571 62.300 -0.063 0.000 0.860 91 V CB 1.475 33.214 31.823 -0.139 0.000 0.991 91 V HN 0.742 nan 8.190 nan 0.000 0.427 92 Y N 3.590 123.907 120.300 0.029 0.000 2.360 92 Y HA 0.838 5.389 4.550 0.001 0.000 0.337 92 Y C 0.384 176.338 175.900 0.089 0.000 1.039 92 Y CA 0.313 58.457 58.100 0.074 0.000 1.109 92 Y CB 1.821 40.393 38.460 0.186 0.000 1.201 92 Y HN 0.775 nan 8.280 nan 0.000 0.458 93 G N 4.779 113.336 108.800 -0.404 0.000 2.561 93 G HA2 0.402 4.363 3.960 0.001 0.000 0.310 93 G HA3 0.402 4.363 3.960 0.001 0.000 0.310 93 G C -1.885 172.858 174.900 -0.262 0.000 1.292 93 G CA -1.254 43.724 45.100 -0.203 0.000 0.811 93 G HN 0.559 nan 8.290 nan 0.000 0.482 94 R N -0.614 119.828 120.500 -0.096 0.000 2.393 94 R HA 0.316 4.657 4.340 0.001 0.000 0.310 94 R C -1.220 175.122 176.300 0.068 0.000 0.968 94 R CA -0.773 55.299 56.100 -0.047 0.000 0.867 94 R CB 1.723 32.002 30.300 -0.035 0.000 1.124 94 R HN 0.491 nan 8.270 nan 0.000 0.450 95 W N 6.676 127.893 121.300 -0.138 0.000 2.437 95 W HA 0.153 4.813 4.660 0.001 0.000 0.312 95 W C -0.649 175.810 176.519 -0.099 0.000 1.242 95 W CA -1.005 56.270 57.345 -0.117 0.000 1.340 95 W CB 0.179 29.550 29.460 -0.147 0.000 1.327 95 W HN 0.498 nan 8.180 nan 0.000 0.476 96 L N 10.037 131.371 121.223 0.185 0.000 2.449 96 L HA 0.070 4.411 4.340 0.001 0.000 0.266 96 L C 0.319 177.089 176.870 -0.165 0.000 1.321 96 L CA 0.253 55.092 54.840 -0.002 0.000 1.194 96 L CB -1.348 40.732 42.059 0.035 0.000 1.384 96 L HN 0.361 nan 8.230 nan 0.000 0.438 97 I N -2.457 117.926 120.570 -0.311 0.000 3.004 97 I HA 0.391 4.562 4.170 0.001 0.000 0.305 97 I C -0.292 175.633 176.117 -0.320 0.000 1.312 97 I CA -1.093 59.957 61.300 -0.416 0.000 0.992 97 I CB 1.854 39.360 38.000 -0.823 0.000 1.282 97 I HN 0.075 nan 8.210 nan 0.000 0.449 98 E N 1.980 122.017 120.200 -0.272 0.000 2.652 98 E HA 0.272 4.623 4.350 0.001 0.000 0.255 98 E C 0.996 177.455 176.600 -0.235 0.000 0.952 98 E CA 1.686 57.960 56.400 -0.210 0.000 0.947 98 E CB 0.144 29.739 29.700 -0.175 0.000 0.912 98 E HN 1.031 nan 8.360 nan 0.000 0.489 99 G N 3.366 112.058 108.800 -0.180 0.000 2.307 99 G HA2 -0.290 3.671 3.960 0.001 0.000 0.210 99 G HA3 -0.290 3.671 3.960 0.001 0.000 0.210 99 G C 0.556 175.375 174.900 -0.134 0.000 1.005 99 G CA 0.011 45.011 45.100 -0.167 0.000 0.634 99 G HN 1.587 nan 8.290 nan 0.000 0.496 100 A N 0.587 123.318 122.820 -0.149 0.000 2.261 100 A HA 0.122 4.443 4.320 0.001 0.000 0.282 100 A C -0.795 176.751 177.584 -0.063 0.000 1.403 100 A CA 1.610 53.589 52.037 -0.097 0.000 0.753 100 A CB -1.280 17.674 19.000 -0.078 0.000 1.125 100 A HN 1.166 nan 8.150 nan 0.000 0.358 101 P HA 0.389 nan 4.420 nan 0.000 0.276 101 P C -0.119 177.148 177.300 -0.054 0.000 1.244 101 P CA -0.314 62.793 63.100 0.012 0.000 0.801 101 P CB 0.801 32.587 31.700 0.143 0.000 1.006 102 K N 0.379 120.666 120.400 -0.187 0.000 2.218 102 K HA 0.418 4.739 4.320 0.001 0.000 0.276 102 K C -0.173 176.232 176.600 -0.324 0.000 1.022 102 K CA -0.503 55.587 56.287 -0.330 0.000 0.946 102 K CB 0.673 32.891 32.500 -0.471 0.000 1.000 102 K HN 0.335 nan 8.250 nan 0.000 0.468 103 V N 0.396 120.084 119.914 -0.376 0.000 2.876 103 V HA 0.632 4.753 4.120 0.001 0.000 0.312 103 V C -0.735 175.128 176.094 -0.386 0.000 1.085 103 V CA -0.934 61.168 62.300 -0.331 0.000 0.945 103 V CB 1.656 33.300 31.823 -0.299 0.000 1.017 103 V HN 0.606 nan 8.190 nan 0.000 0.428 104 I N 4.286 124.643 120.570 -0.355 0.000 2.410 104 I HA 0.456 4.627 4.170 0.001 0.000 0.286 104 I C -0.844 174.954 176.117 -0.532 0.000 1.009 104 I CA -0.434 60.602 61.300 -0.440 0.000 1.111 104 I CB 1.869 39.486 38.000 -0.637 0.000 1.262 104 I HN 0.471 nan 8.210 nan 0.000 0.443 105 L N 6.620 127.590 121.223 -0.421 0.000 2.313 105 L HA 0.435 4.776 4.340 0.001 0.000 0.273 105 L C -0.661 176.040 176.870 -0.282 0.000 1.028 105 L CA -0.577 54.064 54.840 -0.332 0.000 0.871 105 L CB 0.310 42.220 42.059 -0.247 0.000 1.242 105 L HN 0.400 nan 8.230 nan 0.000 0.434 106 F N 1.374 121.263 119.950 -0.102 0.000 2.578 106 F HA -0.010 4.518 4.527 0.001 0.000 0.381 106 F C 1.098 176.880 175.800 -0.030 0.000 1.069 106 F CA -0.195 57.771 58.000 -0.056 0.000 1.231 106 F CB 0.131 39.067 39.000 -0.106 0.000 1.086 106 F HN 0.412 nan 8.300 nan 0.000 0.564 107 D N 4.898 125.420 120.400 0.204 0.000 2.402 107 D HA 0.084 4.725 4.640 0.001 0.000 0.235 107 D C 1.210 177.585 176.300 0.124 0.000 1.226 107 D CA 0.112 54.175 54.000 0.104 0.000 0.918 107 D CB 0.337 41.193 40.800 0.092 0.000 1.043 107 D HN 0.508 nan 8.370 nan 0.000 0.506 108 L N 2.501 123.790 121.223 0.109 0.000 2.129 108 L HA -0.197 4.144 4.340 0.001 0.000 0.212 108 L C 1.400 178.335 176.870 0.109 0.000 1.087 108 L CA 1.125 56.036 54.840 0.120 0.000 0.757 108 L CB -0.267 41.861 42.059 0.116 0.000 0.896 108 L HN 0.439 nan 8.230 nan 0.000 0.434 109 D N -0.308 120.148 120.400 0.093 0.000 2.178 109 D HA -0.155 4.486 4.640 0.001 0.000 0.201 109 D C 2.204 178.559 176.300 0.092 0.000 0.980 109 D CA 1.714 55.767 54.000 0.089 0.000 0.842 109 D CB -0.006 40.841 40.800 0.078 0.000 0.948 109 D HN 0.376 nan 8.370 nan 0.000 0.472 110 S N -0.249 115.512 115.700 0.102 0.000 2.607 110 S HA 0.019 4.490 4.470 0.001 0.000 0.224 110 S C 1.317 175.922 174.600 0.007 0.000 0.969 110 S CA 0.014 58.260 58.200 0.077 0.000 0.927 110 S CB 0.485 63.749 63.200 0.107 0.000 0.772 110 S HN 0.066 nan 8.310 nan 0.000 0.533 111 V N 0.575 120.509 119.914 0.033 0.000 3.372 111 V HA 0.398 4.519 4.120 0.001 0.000 0.304 111 V C 1.625 177.732 176.094 0.023 0.000 1.530 111 V CA -0.126 62.160 62.300 -0.024 0.000 1.080 111 V CB 0.080 31.895 31.823 -0.015 0.000 0.929 111 V HN 0.495 nan 8.190 nan 0.000 0.455 112 R N 0.441 120.982 120.500 0.069 0.000 2.293 112 R HA -0.040 4.301 4.340 0.001 0.000 0.219 112 R C 1.874 178.196 176.300 0.036 0.000 1.091 112 R CA 1.689 57.832 56.100 0.072 0.000 1.004 112 R CB -0.279 30.071 30.300 0.083 0.000 0.865 112 R HN 0.550 nan 8.270 nan 0.000 0.469 113 G N 0.139 108.968 108.800 0.049 0.000 2.484 113 G HA2 -0.274 3.686 3.960 0.001 0.000 0.215 113 G HA3 -0.274 3.686 3.960 0.001 0.000 0.215 113 G C 0.514 175.348 174.900 -0.110 0.000 1.219 113 G CA 0.475 45.575 45.100 -0.000 0.000 0.791 113 G HN 0.390 nan 8.290 nan 0.000 0.550 114 Y N 1.845 121.856 120.300 -0.482 0.000 2.874 114 Y HA -0.016 4.535 4.550 0.001 0.000 0.311 114 Y C 2.786 178.220 175.900 -0.776 0.000 1.174 114 Y CA 0.208 57.763 58.100 -0.907 0.000 1.414 114 Y CB -0.950 36.408 38.460 -1.836 0.000 0.987 114 Y HN 0.225 nan 8.280 nan 0.000 0.547 115 S N 0.635 116.216 115.700 -0.198 0.000 2.378 115 S HA -0.251 4.220 4.470 0.001 0.000 0.221 115 S C 2.174 176.765 174.600 -0.016 0.000 1.037 115 S CA 1.958 60.147 58.200 -0.018 0.000 1.069 115 S CB -0.195 63.022 63.200 0.028 0.000 1.006 115 S HN 0.537 nan 8.310 nan 0.000 0.423 116 N N 1.244 119.908 118.700 -0.060 0.000 2.084 116 N HA -0.114 4.627 4.740 0.001 0.000 0.190 116 N C 1.793 177.273 175.510 -0.049 0.000 1.030 116 N CA 1.477 54.502 53.050 -0.041 0.000 0.849 116 N CB -0.812 37.642 38.487 -0.055 0.000 1.012 116 N HN 0.713 nan 8.380 nan 0.000 0.423 117 E N -0.662 119.457 120.200 -0.135 0.000 2.147 117 E HA -0.219 4.132 4.350 0.001 0.000 0.199 117 E C 1.239 177.843 176.600 0.005 0.000 1.005 117 E CA 1.238 57.564 56.400 -0.123 0.000 0.810 117 E CB -0.056 29.481 29.700 -0.271 0.000 0.736 117 E HN 0.381 nan 8.360 nan 0.000 0.460 118 W N 0.614 121.785 121.300 -0.215 0.000 2.480 118 W HA 0.109 4.770 4.660 0.001 0.000 0.299 118 W C 2.223 178.598 176.519 -0.239 0.000 1.187 118 W CA 0.536 57.587 57.345 -0.489 0.000 1.347 118 W CB -0.710 28.313 29.460 -0.728 0.000 1.121 118 W HN 0.043 nan 8.180 nan 0.000 0.533 119 K N -0.080 120.418 120.400 0.165 0.000 2.059 119 K HA -0.184 4.136 4.320 0.001 0.000 0.212 119 K C 2.255 178.958 176.600 0.172 0.000 1.050 119 K CA 1.898 58.287 56.287 0.171 0.000 0.927 119 K CB -0.984 31.582 32.500 0.110 0.000 0.714 119 K HN 0.155 nan 8.250 nan 0.000 0.447 120 G N 1.493 110.369 108.800 0.126 0.000 2.545 120 G HA2 -0.376 3.584 3.960 0.001 0.000 0.217 120 G HA3 -0.376 3.584 3.960 0.001 0.000 0.217 120 G C 1.184 176.201 174.900 0.196 0.000 1.218 120 G CA 1.492 46.682 45.100 0.150 0.000 0.787 120 G HN 0.437 nan 8.290 nan 0.000 0.571 121 D N -0.517 119.973 120.400 0.150 0.000 2.265 121 D HA -0.056 4.584 4.640 0.001 0.000 0.208 121 D C 2.223 178.652 176.300 0.214 0.000 0.977 121 D CA 0.312 54.404 54.000 0.154 0.000 0.871 121 D CB -0.169 40.711 40.800 0.133 0.000 0.925 121 D HN 0.242 nan 8.370 nan 0.000 0.485 122 L N -0.125 121.272 121.223 0.290 0.000 2.044 122 L HA -0.071 4.270 4.340 0.001 0.000 0.205 122 L C 2.087 179.084 176.870 0.212 0.000 1.075 122 L CA 1.070 56.077 54.840 0.279 0.000 0.747 122 L CB -0.657 41.602 42.059 0.332 0.000 0.903 122 L HN 0.479 nan 8.230 nan 0.000 0.435 123 W N 0.633 121.969 121.300 0.061 0.000 2.358 123 W HA -0.205 4.456 4.660 0.001 0.000 0.303 123 W C 2.108 178.638 176.519 0.018 0.000 1.208 123 W CA 1.481 58.845 57.345 0.032 0.000 1.274 123 W CB -0.123 29.355 29.460 0.032 0.000 1.138 123 W HN 0.165 nan 8.180 nan 0.000 0.515 124 S N 1.076 116.778 115.700 0.003 0.000 2.507 124 S HA -0.126 4.345 4.470 0.001 0.000 0.235 124 S C 1.443 175.954 174.600 -0.148 0.000 0.988 124 S CA 1.065 59.196 58.200 -0.115 0.000 0.944 124 S CB -0.145 63.062 63.200 0.011 0.000 0.762 124 S HN 0.310 nan 8.310 nan 0.000 0.526 125 L N -0.262 120.891 121.223 -0.117 0.000 2.993 125 L HA 0.298 4.639 4.340 0.001 0.000 0.264 125 L C 0.086 176.871 176.870 -0.140 0.000 1.154 125 L CA 0.240 55.015 54.840 -0.109 0.000 0.972 125 L CB 1.176 43.203 42.059 -0.052 0.000 1.373 125 L HN 0.104 nan 8.230 nan 0.000 0.564 126 V N -1.709 118.113 119.914 -0.155 0.000 3.663 126 V HA 0.396 4.517 4.120 0.001 0.000 0.353 126 V C 1.028 177.016 176.094 -0.178 0.000 1.551 126 V CA -0.022 62.181 62.300 -0.161 0.000 1.331 126 V CB 0.245 31.989 31.823 -0.131 0.000 1.059 126 V HN 0.171 nan 8.190 nan 0.000 0.502 127 G N 1.994 110.599 108.800 -0.324 0.000 2.356 127 G HA2 -0.279 3.682 3.960 0.001 0.000 0.296 127 G HA3 -0.279 3.682 3.960 0.001 0.000 0.296 127 G C -0.089 174.891 174.900 0.133 0.000 1.022 127 G CA 0.848 45.645 45.100 -0.505 0.000 0.961 127 G HN 0.628 nan 8.290 nan 0.000 0.510 128 I N 0.969 121.737 120.570 0.329 0.000 2.328 128 I HA 0.301 4.471 4.170 0.001 0.000 0.287 128 I C -1.875 174.509 176.117 0.445 0.000 1.012 128 I CA -2.516 58.978 61.300 0.324 0.000 1.195 128 I CB 1.739 39.822 38.000 0.138 0.000 1.350 128 I HN -0.099 nan 8.210 nan 0.000 0.464 129 P HA 0.192 nan 4.420 nan 0.000 0.272 129 P C -0.807 176.516 177.300 0.038 0.000 1.240 129 P CA -0.434 62.678 63.100 0.019 0.000 0.791 129 P CB 0.712 32.411 31.700 -0.002 0.000 0.978 130 S N -1.125 114.527 115.700 -0.080 0.000 2.689 130 S HA 0.342 4.813 4.470 0.001 0.000 0.151 130 S C -2.894 171.622 174.600 -0.140 0.000 1.155 130 S CA -1.194 56.977 58.200 -0.049 0.000 1.144 130 S CB -0.562 62.675 63.200 0.063 0.000 1.526 130 S HN 0.166 nan 8.310 nan 0.000 0.419 131 P HA 0.066 nan 4.420 nan 0.000 0.269 131 P C 0.765 177.962 177.300 -0.173 0.000 1.211 131 P CA -0.092 62.870 63.100 -0.231 0.000 0.781 131 P CB 0.470 31.988 31.700 -0.302 0.000 0.877 132 E N 0.538 120.644 120.200 -0.157 0.000 2.474 132 E HA -0.076 4.275 4.350 0.001 0.000 0.194 132 E C 0.597 177.024 176.600 -0.288 0.000 1.041 132 E CA 0.473 56.779 56.400 -0.157 0.000 0.874 132 E CB -0.622 29.021 29.700 -0.095 0.000 0.914 132 E HN 0.541 nan 8.360 nan 0.000 0.498 133 N N 0.879 119.398 118.700 -0.302 0.000 2.467 133 N HA -0.082 4.658 4.740 0.001 0.000 0.184 133 N C 0.169 175.265 175.510 -0.689 0.000 1.106 133 N CA 0.124 52.905 53.050 -0.448 0.000 0.892 133 N CB 0.235 38.614 38.487 -0.180 0.000 0.969 133 N HN -0.083 nan 8.380 nan 0.000 0.454 134 D N -0.071 120.071 120.400 -0.430 0.000 2.380 134 D HA 0.094 4.735 4.640 0.001 0.000 0.230 134 D C -0.116 176.044 176.300 -0.233 0.000 1.154 134 D CA -0.626 53.244 54.000 -0.216 0.000 0.859 134 D CB 0.332 41.202 40.800 0.115 0.000 1.045 134 D HN 0.063 nan 8.370 nan 0.000 0.495 135 F N 2.015 122.050 119.950 0.143 0.000 2.187 135 F HA 0.001 4.529 4.527 0.001 0.000 0.295 135 F C 2.166 178.046 175.800 0.134 0.000 1.091 135 F CA 0.376 58.449 58.000 0.122 0.000 1.308 135 F CB -0.297 38.762 39.000 0.098 0.000 1.030 135 F HN 0.318 nan 8.300 nan 0.000 0.487 136 E N 0.214 120.609 120.200 0.325 0.000 2.097 136 E HA -0.207 4.144 4.350 0.001 0.000 0.196 136 E C 2.282 179.004 176.600 0.204 0.000 1.000 136 E CA 2.391 58.930 56.400 0.232 0.000 0.804 136 E CB -0.715 29.142 29.700 0.261 0.000 0.740 136 E HN 0.487 nan 8.360 nan 0.000 0.454 137 T N -1.122 113.600 114.554 0.280 0.000 2.896 137 T HA -0.043 4.307 4.350 0.001 0.000 0.263 137 T C 1.610 176.446 174.700 0.226 0.000 1.050 137 T CA 0.835 63.118 62.100 0.305 0.000 1.140 137 T CB -0.221 68.881 68.868 0.390 0.000 0.877 137 T HN -0.033 nan 8.240 nan 0.000 0.457 138 N N 2.324 121.139 118.700 0.191 0.000 2.036 138 N HA -0.128 4.613 4.740 0.001 0.000 0.195 138 N C 1.559 177.189 175.510 0.200 0.000 1.037 138 N CA 1.783 54.944 53.050 0.185 0.000 0.855 138 N CB -0.672 37.913 38.487 0.163 0.000 1.033 138 N HN 0.441 nan 8.380 nan 0.000 0.423 139 D N 0.837 121.347 120.400 0.184 0.000 2.149 139 D HA -0.074 4.567 4.640 0.001 0.000 0.198 139 D C 1.817 178.194 176.300 0.127 0.000 0.990 139 D CA 1.177 55.270 54.000 0.155 0.000 0.839 139 D CB -0.406 40.473 40.800 0.131 0.000 0.948 139 D HN 0.278 nan 8.370 nan 0.000 0.460 140 A N 0.406 123.290 122.820 0.106 0.000 1.933 140 A HA -0.132 4.189 4.320 0.001 0.000 0.218 140 A C 2.336 179.988 177.584 0.113 0.000 1.175 140 A CA 0.921 52.999 52.037 0.069 0.000 0.628 140 A CB -0.574 18.448 19.000 0.037 0.000 0.814 140 A HN 0.220 nan 8.150 nan 0.000 0.444 141 I N -0.672 120.007 120.570 0.182 0.000 2.277 141 I HA -0.176 3.995 4.170 0.001 0.000 0.243 141 I C 2.311 178.612 176.117 0.308 0.000 1.094 141 I CA 0.728 62.175 61.300 0.245 0.000 1.393 141 I CB -0.396 37.801 38.000 0.329 0.000 1.078 141 I HN 0.252 nan 8.210 nan 0.000 0.417 142 L N 0.216 121.636 121.223 0.328 0.000 2.013 142 L HA -0.267 4.073 4.340 0.001 0.000 0.212 142 L C 2.643 179.642 176.870 0.215 0.000 1.073 142 L CA 1.239 56.314 54.840 0.392 0.000 0.753 142 L CB -0.707 41.543 42.059 0.318 0.000 0.890 142 L HN 0.279 nan 8.230 nan 0.000 0.432 143 L N 0.238 121.542 121.223 0.134 0.000 2.042 143 L HA -0.132 4.209 4.340 0.001 0.000 0.210 143 L C 2.333 179.199 176.870 -0.007 0.000 1.076 143 L CA 2.242 57.122 54.840 0.066 0.000 0.749 143 L CB -1.169 40.935 42.059 0.075 0.000 0.893 143 L HN 0.182 nan 8.230 nan 0.000 0.432 144 G N -1.716 107.063 108.800 -0.034 0.000 2.453 144 G HA2 -0.327 3.633 3.960 0.001 0.000 0.215 144 G HA3 -0.327 3.633 3.960 0.001 0.000 0.215 144 G C 1.444 176.144 174.900 -0.333 0.000 1.201 144 G CA 1.056 46.051 45.100 -0.176 0.000 0.784 144 G HN 0.465 nan 8.290 nan 0.000 0.545 145 Y N 1.335 121.370 120.300 -0.442 0.000 2.165 145 Y HA -0.139 4.412 4.550 0.001 0.000 0.286 145 Y C 3.411 179.018 175.900 -0.488 0.000 1.155 145 Y CA 1.771 59.398 58.100 -0.788 0.000 1.164 145 Y CB -0.734 36.524 38.460 -2.002 0.000 0.978 145 Y HN 0.144 nan 8.280 nan 0.000 0.513 146 T N -0.661 113.750 114.554 -0.239 0.000 2.684 146 T HA -0.178 4.172 4.350 0.001 0.000 0.267 146 T C 2.061 176.545 174.700 -0.360 0.000 1.036 146 T CA 1.778 63.709 62.100 -0.282 0.000 1.148 146 T CB -0.740 67.844 68.868 -0.473 0.000 0.863 146 T HN 0.125 nan 8.240 nan 0.000 0.436 147 V N 1.446 121.223 119.914 -0.230 0.000 2.515 147 V HA -0.067 4.054 4.120 0.001 0.000 0.250 147 V C 2.790 178.919 176.094 0.059 0.000 1.058 147 V CA 1.424 63.698 62.300 -0.042 0.000 1.064 147 V CB -1.130 30.750 31.823 0.095 0.000 0.675 147 V HN 0.518 nan 8.190 nan 0.000 0.461 148 A N -0.498 122.310 122.820 -0.021 0.000 1.897 148 A HA -0.195 4.126 4.320 0.001 0.000 0.215 148 A C 1.998 179.608 177.584 0.044 0.000 1.181 148 A CA 1.301 53.319 52.037 -0.032 0.000 0.620 148 A CB -0.746 18.148 19.000 -0.177 0.000 0.821 148 A HN 0.636 nan 8.150 nan 0.000 0.443 149 W N 0.349 121.549 121.300 -0.167 0.000 2.301 149 W HA -0.283 4.378 4.660 0.001 0.000 0.325 149 W C 1.953 178.405 176.519 -0.111 0.000 1.250 149 W CA 1.820 59.088 57.345 -0.127 0.000 1.261 149 W CB -1.302 28.076 29.460 -0.138 0.000 1.157 149 W HN 0.412 nan 8.180 nan 0.000 0.473 150 F N 0.540 120.466 119.950 -0.041 0.000 2.161 150 F HA -0.212 4.316 4.527 0.001 0.000 0.300 150 F C 2.273 178.000 175.800 -0.122 0.000 1.089 150 F CA 2.256 60.167 58.000 -0.147 0.000 1.282 150 F CB -0.666 38.240 39.000 -0.157 0.000 1.010 150 F HN -0.195 nan 8.300 nan 0.000 0.485 151 L N -0.536 120.622 121.223 -0.108 0.000 2.179 151 L HA 0.044 4.384 4.340 0.001 0.000 0.208 151 L C 2.760 179.522 176.870 -0.179 0.000 1.096 151 L CA 0.846 55.542 54.840 -0.239 0.000 0.779 151 L CB -1.367 40.633 42.059 -0.099 0.000 0.922 151 L HN 0.277 nan 8.230 nan 0.000 0.443 152 G N -0.096 108.655 108.800 -0.082 0.000 2.587 152 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 152 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 152 G C 1.351 176.220 174.900 -0.050 0.000 1.240 152 G CA 0.612 45.685 45.100 -0.045 0.000 0.794 152 G HN 0.251 nan 8.290 nan 0.000 0.580 153 E N 0.254 120.420 120.200 -0.057 0.000 2.086 153 E HA -0.179 4.172 4.350 0.001 0.000 0.205 153 E C 2.854 179.376 176.600 -0.131 0.000 1.027 153 E CA 1.425 57.786 56.400 -0.065 0.000 0.830 153 E CB -0.983 28.649 29.700 -0.113 0.000 0.751 153 E HN 0.297 nan 8.360 nan 0.000 0.456 154 V N 1.625 121.331 119.914 -0.348 0.000 2.255 154 V HA -0.302 3.818 4.120 0.001 0.000 0.247 154 V C 2.510 178.531 176.094 -0.122 0.000 1.051 154 V CA 2.114 64.222 62.300 -0.320 0.000 1.018 154 V CB -1.035 30.466 31.823 -0.536 0.000 0.641 154 V HN 0.320 nan 8.190 nan 0.000 0.445 155 A N -0.808 121.958 122.820 -0.090 0.000 1.883 155 A HA -0.312 4.009 4.320 0.001 0.000 0.217 155 A C 2.253 179.848 177.584 0.019 0.000 1.186 155 A CA 2.155 54.187 52.037 -0.008 0.000 0.624 155 A CB -1.019 17.986 19.000 0.008 0.000 0.822 155 A HN 0.746 nan 8.150 nan 0.000 0.444 156 H N -0.084 118.952 119.070 -0.057 0.000 2.265 156 H HA -0.122 4.435 4.556 0.001 0.000 0.295 156 H C 1.882 177.183 175.328 -0.045 0.000 1.084 156 H CA 2.164 58.185 56.048 -0.045 0.000 1.261 156 H CB -0.209 29.527 29.762 -0.043 0.000 1.360 156 H HN 0.410 nan 8.280 nan 0.000 0.487 157 L N 0.153 121.294 121.223 -0.137 0.000 2.291 157 L HA -0.053 4.288 4.340 0.001 0.000 0.214 157 L C 0.405 177.202 176.870 -0.122 0.000 1.120 157 L CA 0.553 55.285 54.840 -0.180 0.000 0.799 157 L CB -0.023 42.005 42.059 -0.052 0.000 0.925 157 L HN 0.179 nan 8.230 nan 0.000 0.446 158 D N -0.955 119.404 120.400 -0.068 0.000 2.443 158 D HA 0.082 4.723 4.640 0.001 0.000 0.221 158 D C 0.952 177.224 176.300 -0.046 0.000 1.097 158 D CA -0.036 53.952 54.000 -0.019 0.000 0.865 158 D CB 0.955 41.802 40.800 0.079 0.000 1.034 158 D HN -0.024 nan 8.370 nan 0.000 0.511 159 S N 2.320 117.968 115.700 -0.087 0.000 2.556 159 S HA -0.035 4.436 4.470 0.001 0.000 0.216 159 S C 1.368 175.901 174.600 -0.111 0.000 0.970 159 S CA -0.061 58.084 58.200 -0.093 0.000 0.912 159 S CB 0.259 63.398 63.200 -0.102 0.000 0.790 159 S HN 0.537 nan 8.310 nan 0.000 0.504 160 Q N 0.452 120.146 119.800 -0.177 0.000 2.287 160 Q HA 0.136 4.476 4.340 0.001 0.000 0.201 160 Q C -0.318 175.526 176.000 -0.260 0.000 0.946 160 Q CA 0.449 56.075 55.803 -0.295 0.000 0.868 160 Q CB 0.203 28.631 28.738 -0.516 0.000 0.967 160 Q HN 0.781 nan 8.270 nan 0.000 0.516 161 H N -0.437 118.667 119.070 0.056 0.000 2.479 161 H HA 0.533 5.090 4.556 0.001 0.000 0.335 161 H C -0.689 174.727 175.328 0.147 0.000 1.142 161 H CA -0.445 55.670 56.048 0.112 0.000 1.234 161 H CB 1.571 31.410 29.762 0.128 0.000 1.503 161 H HN 0.306 nan 8.280 nan 0.000 0.510 162 A N 2.816 125.842 122.820 0.343 0.000 2.462 162 A HA 0.286 4.607 4.320 0.001 0.000 0.243 162 A C -0.173 177.641 177.584 0.382 0.000 1.076 162 A CA -0.125 52.133 52.037 0.367 0.000 0.773 162 A CB -0.249 19.014 19.000 0.438 0.000 1.010 162 A HN 0.687 nan 8.150 nan 0.000 0.493 163 I N 2.898 123.660 120.570 0.321 0.000 2.382 163 I HA 0.257 4.428 4.170 0.001 0.000 0.285 163 I C -0.649 175.590 176.117 0.205 0.000 1.007 163 I CA -0.489 60.984 61.300 0.289 0.000 1.142 163 I CB 1.720 39.856 38.000 0.227 0.000 1.289 163 I HN 0.291 nan 8.210 nan 0.000 0.453 164 V N 5.709 125.727 119.914 0.174 0.000 2.407 164 V HA 0.682 4.803 4.120 0.001 0.000 0.278 164 V C 0.336 176.544 176.094 0.191 0.000 1.037 164 V CA -0.443 61.910 62.300 0.089 0.000 0.900 164 V CB 1.391 33.177 31.823 -0.062 0.000 0.983 164 V HN 0.796 nan 8.190 nan 0.000 0.459 165 A N 3.702 126.618 122.820 0.160 0.000 2.332 165 A HA 0.628 4.949 4.320 0.001 0.000 0.300 165 A C -0.811 176.830 177.584 0.094 0.000 1.153 165 A CA -0.494 51.625 52.037 0.137 0.000 0.764 165 A CB 0.370 19.459 19.000 0.149 0.000 1.174 165 A HN 0.983 nan 8.150 nan 0.000 0.467 166 H N 1.605 120.608 119.070 -0.111 0.000 2.488 166 H HA 0.630 5.187 4.556 0.001 0.000 0.322 166 H C -1.349 173.844 175.328 -0.226 0.000 1.078 166 H CA -0.350 55.673 56.048 -0.042 0.000 1.260 166 H CB 0.678 30.469 29.762 0.049 0.000 1.425 166 H HN 0.567 nan 8.280 nan 0.000 0.471 167 F N 3.234 123.368 119.950 0.306 0.000 2.495 167 F HA 0.304 4.832 4.527 0.001 0.000 0.327 167 F C 0.065 175.934 175.800 0.114 0.000 1.103 167 F CA -0.850 57.317 58.000 0.279 0.000 0.949 167 F CB 1.398 40.588 39.000 0.317 0.000 1.142 167 F HN 0.508 nan 8.300 nan 0.000 0.457 168 H N 2.176 121.443 119.070 0.329 0.000 2.511 168 H HA 0.381 4.938 4.556 0.001 0.000 0.328 168 H C -0.530 174.927 175.328 0.214 0.000 1.044 168 H CA -0.700 55.466 56.048 0.196 0.000 1.212 168 H CB 1.836 31.708 29.762 0.184 0.000 1.428 168 H HN 0.712 nan 8.280 nan 0.000 0.483 169 E N 1.567 121.899 120.200 0.221 0.000 8.389 169 E HA -0.193 4.158 4.350 0.001 0.000 0.468 169 E C 0.841 177.757 176.600 0.526 0.000 0.993 169 E CA 0.599 57.209 56.400 0.350 0.000 1.743 169 E CB -0.444 29.407 29.700 0.251 0.000 0.996 169 E HN 0.780 nan 8.360 nan 0.000 0.262 170 W N 4.519 126.105 121.300 0.476 0.000 2.321 170 W HA -0.236 4.425 4.660 0.001 0.000 0.306 170 W C 1.344 177.989 176.519 0.210 0.000 1.217 170 W CA 1.534 59.069 57.345 0.316 0.000 1.257 170 W CB -1.221 28.346 29.460 0.179 0.000 1.145 170 W HN 0.539 nan 8.180 nan 0.000 0.509 171 L N 1.679 122.458 121.223 -0.740 0.000 2.357 171 L HA -0.137 4.204 4.340 0.001 0.000 0.220 171 L C 2.467 179.246 176.870 -0.151 0.000 1.123 171 L CA 1.938 56.372 54.840 -0.678 0.000 0.782 171 L CB -0.960 40.654 42.059 -0.740 0.000 0.910 171 L HN 0.171 nan 8.230 nan 0.000 0.442 172 A N -1.037 121.811 122.820 0.047 0.000 2.606 172 A HA 0.513 4.834 4.320 0.001 0.000 0.290 172 A C 1.655 179.410 177.584 0.286 0.000 1.174 172 A CA 0.329 52.476 52.037 0.183 0.000 0.958 172 A CB -0.126 19.016 19.000 0.236 0.000 1.194 172 A HN 0.271 nan 8.150 nan 0.000 0.526 173 G N -1.047 107.850 108.800 0.161 0.000 2.887 173 G HA2 0.203 4.164 3.960 0.001 0.000 0.211 173 G HA3 0.203 4.164 3.960 0.001 0.000 0.211 173 G C 1.132 175.878 174.900 -0.257 0.000 1.152 173 G CA 0.960 46.025 45.100 -0.058 0.000 0.769 173 G HN 0.195 nan 8.290 nan 0.000 0.541 174 V N 1.881 121.708 119.914 -0.145 0.000 2.332 174 V HA -0.205 3.916 4.120 0.001 0.000 0.248 174 V C 3.266 179.146 176.094 -0.356 0.000 1.055 174 V CA 1.959 64.127 62.300 -0.220 0.000 1.038 174 V CB -0.774 30.963 31.823 -0.143 0.000 0.651 174 V HN 0.419 nan 8.190 nan 0.000 0.450 175 A N -0.506 122.121 122.820 -0.322 0.000 2.093 175 A HA -0.213 4.108 4.320 0.001 0.000 0.222 175 A C 2.203 179.497 177.584 -0.483 0.000 1.162 175 A CA 1.846 53.676 52.037 -0.346 0.000 0.655 175 A CB -0.522 18.453 19.000 -0.041 0.000 0.805 175 A HN 0.543 nan 8.150 nan 0.000 0.461 176 L N -0.847 119.996 121.223 -0.633 0.000 2.023 176 L HA -0.068 4.273 4.340 0.001 0.000 0.205 176 L C -0.390 176.243 176.870 -0.395 0.000 1.073 176 L CA 1.335 55.805 54.840 -0.616 0.000 0.745 176 L CB -1.049 40.604 42.059 -0.677 0.000 0.900 176 L HN 0.196 nan 8.230 nan 0.000 0.435 177 P HA -0.177 nan 4.420 nan 0.000 0.215 177 P C 1.875 179.027 177.300 -0.248 0.000 1.157 177 P CA 1.432 64.367 63.100 -0.275 0.000 0.868 177 P CB 0.023 31.566 31.700 -0.260 0.000 0.788 178 L N -1.263 119.781 121.223 -0.298 0.000 1.989 178 L HA -0.250 4.091 4.340 0.001 0.000 0.211 178 L C 2.676 179.422 176.870 -0.206 0.000 1.071 178 L CA 1.679 56.355 54.840 -0.273 0.000 0.749 178 L CB -1.626 40.192 42.059 -0.402 0.000 0.890 178 L HN 0.063 nan 8.230 nan 0.000 0.431 179 C N -0.333 118.840 119.300 -0.212 0.000 2.401 179 C HA -0.223 4.238 4.460 0.001 0.000 0.276 179 C C 3.129 178.048 174.990 -0.119 0.000 1.233 179 C CA 1.374 60.305 59.018 -0.144 0.000 1.753 179 C CB -0.987 26.673 27.740 -0.134 0.000 2.029 179 C HN 0.465 nan 8.230 nan 0.000 0.478 180 R N 0.425 120.839 120.500 -0.142 0.000 2.090 180 R HA -0.076 4.265 4.340 0.001 0.000 0.228 180 R C 2.381 178.622 176.300 -0.098 0.000 1.110 180 R CA 1.064 57.095 56.100 -0.115 0.000 0.973 180 R CB -0.239 29.984 30.300 -0.129 0.000 0.869 180 R HN 0.300 nan 8.270 nan 0.000 0.440 181 K N 1.241 121.574 120.400 -0.112 0.000 1.984 181 K HA -0.098 4.223 4.320 0.001 0.000 0.209 181 K C 1.631 178.185 176.600 -0.077 0.000 1.046 181 K CA 1.527 57.757 56.287 -0.094 0.000 0.934 181 K CB -0.121 32.317 32.500 -0.103 0.000 0.717 181 K HN 0.191 nan 8.250 nan 0.000 0.438 182 R N 0.792 121.242 120.500 -0.083 0.000 2.366 182 R HA 0.004 4.345 4.340 0.001 0.000 0.201 182 R C 0.360 176.629 176.300 -0.051 0.000 1.057 182 R CA 0.087 56.147 56.100 -0.068 0.000 1.086 182 R CB -0.304 29.948 30.300 -0.079 0.000 0.914 182 R HN 0.136 nan 8.270 nan 0.000 0.476 183 R N 0.957 121.428 120.500 -0.048 0.000 3.569 183 R HA -0.182 4.159 4.340 0.001 0.000 0.260 183 R C -0.511 175.782 176.300 -0.011 0.000 1.078 183 R CA 0.404 56.487 56.100 -0.028 0.000 0.716 183 R CB -1.758 28.531 30.300 -0.018 0.000 1.088 183 R HN 0.327 nan 8.270 nan 0.000 0.473 184 I N 0.241 120.798 120.570 -0.021 0.000 2.752 184 I HA -0.105 4.066 4.170 0.001 0.000 0.289 184 I C 1.033 177.166 176.117 0.028 0.000 1.197 184 I CA 0.486 61.783 61.300 -0.005 0.000 1.432 184 I CB 0.237 38.224 38.000 -0.023 0.000 1.359 184 I HN 0.109 nan 8.210 nan 0.000 0.571 185 D N 6.878 127.312 120.400 0.057 0.000 2.767 185 D HA 0.205 4.846 4.640 0.001 0.000 0.231 185 D C -0.586 175.802 176.300 0.146 0.000 1.105 185 D CA 0.077 54.149 54.000 0.120 0.000 1.024 185 D CB -0.141 40.735 40.800 0.127 0.000 1.123 185 D HN 0.300 nan 8.370 nan 0.000 0.470 186 V N -0.658 119.314 119.914 0.096 0.000 2.789 186 V HA 0.632 4.753 4.120 0.001 0.000 0.311 186 V C -0.002 176.111 176.094 0.031 0.000 1.073 186 V CA -1.131 61.226 62.300 0.094 0.000 0.921 186 V CB 1.619 33.485 31.823 0.071 0.000 1.009 186 V HN -0.006 nan 8.190 nan 0.000 0.426 187 V N 1.978 121.888 119.914 -0.007 0.000 2.546 187 V HA 0.848 4.969 4.120 0.001 0.000 0.284 187 V C 0.475 176.573 176.094 0.007 0.000 1.050 187 V CA 0.506 62.762 62.300 -0.075 0.000 0.981 187 V CB 0.622 32.349 31.823 -0.161 0.000 0.990 187 V HN 1.313 nan 8.190 nan 0.000 0.474 188 T N 2.517 117.075 114.554 0.006 0.000 2.885 188 T HA 0.818 5.169 4.350 0.001 0.000 0.285 188 T C -0.620 174.093 174.700 0.022 0.000 1.019 188 T CA -0.687 61.470 62.100 0.094 0.000 1.010 188 T CB 1.738 70.672 68.868 0.110 0.000 1.022 188 T HN 0.657 nan 8.240 nan 0.000 0.466 189 I N 2.259 122.850 120.570 0.035 0.000 2.498 189 I HA 0.528 4.699 4.170 0.001 0.000 0.290 189 I C -1.273 174.872 176.117 0.046 0.000 1.032 189 I CA -1.016 60.199 61.300 -0.141 0.000 1.073 189 I CB 2.019 39.641 38.000 -0.630 0.000 1.251 189 I HN 0.667 nan 8.210 nan 0.000 0.426 190 F N 4.961 124.887 119.950 -0.040 0.000 2.467 190 F HA 0.580 5.108 4.527 0.001 0.000 0.336 190 F C -0.400 175.476 175.800 0.126 0.000 1.123 190 F CA -0.164 57.879 58.000 0.072 0.000 0.964 190 F CB 1.678 40.690 39.000 0.020 0.000 1.136 190 F HN 0.282 nan 8.300 nan 0.000 0.447 191 T N 4.454 118.594 114.554 -0.689 0.000 2.792 191 T HA 0.323 4.674 4.350 0.001 0.000 0.280 191 T C -0.621 173.578 174.700 -0.835 0.000 0.990 191 T CA -0.443 61.280 62.100 -0.628 0.000 0.960 191 T CB 1.311 69.894 68.868 -0.475 0.000 0.939 191 T HN 0.660 nan 8.240 nan 0.000 0.439 192 T N 2.386 116.644 114.554 -0.493 0.000 2.779 192 T HA 0.274 4.625 4.350 0.001 0.000 0.280 192 T C 0.403 175.033 174.700 -0.117 0.000 0.987 192 T CA -0.645 61.360 62.100 -0.159 0.000 0.966 192 T CB 0.346 69.359 68.868 0.242 0.000 0.933 192 T HN 0.624 nan 8.240 nan 0.000 0.442 193 H N 3.154 122.288 119.070 0.106 0.000 2.537 193 H HA 0.574 5.131 4.556 0.001 0.000 0.295 193 H C 0.653 176.079 175.328 0.163 0.000 1.054 193 H CA 0.206 56.329 56.048 0.124 0.000 1.156 193 H CB 0.264 30.111 29.762 0.142 0.000 1.468 193 H HN 0.781 nan 8.280 nan 0.000 0.551 194 A N 0.256 123.241 122.820 0.274 0.000 2.332 194 A HA 0.357 4.677 4.320 0.001 0.000 0.293 194 A C -0.719 177.071 177.584 0.343 0.000 1.014 194 A CA -0.275 51.946 52.037 0.306 0.000 0.566 194 A CB 0.381 19.585 19.000 0.341 0.000 1.483 194 A HN 0.186 nan 8.150 nan 0.000 0.603 195 T N -1.532 113.245 114.554 0.372 0.000 2.909 195 T HA 0.623 4.974 4.350 0.001 0.000 0.299 195 T C 0.758 175.625 174.700 0.278 0.000 1.073 195 T CA -0.177 62.123 62.100 0.332 0.000 0.999 195 T CB 1.128 70.195 68.868 0.332 0.000 1.098 195 T HN 0.890 nan 8.240 nan 0.000 0.477 196 L N 1.363 122.712 121.223 0.210 0.000 2.017 196 L HA 0.023 4.364 4.340 0.001 0.000 0.208 196 L C 2.623 179.606 176.870 0.190 0.000 1.073 196 L CA 1.172 56.107 54.840 0.158 0.000 0.745 196 L CB -0.435 41.588 42.059 -0.060 0.000 0.894 196 L HN 0.697 nan 8.230 nan 0.000 0.432 197 L N -0.868 120.464 121.223 0.181 0.000 2.083 197 L HA -0.168 4.173 4.340 0.001 0.000 0.209 197 L C 2.580 179.516 176.870 0.110 0.000 1.083 197 L CA 1.302 56.234 54.840 0.153 0.000 0.752 197 L CB -1.121 41.055 42.059 0.194 0.000 0.899 197 L HN 0.363 nan 8.230 nan 0.000 0.433 198 G N -0.144 108.741 108.800 0.141 0.000 2.480 198 G HA2 -0.261 3.700 3.960 0.001 0.000 0.216 198 G HA3 -0.261 3.700 3.960 0.001 0.000 0.216 198 G C 1.678 176.194 174.900 -0.640 0.000 1.200 198 G CA 0.448 45.518 45.100 -0.050 0.000 0.782 198 G HN 0.252 nan 8.290 nan 0.000 0.554 199 R N -0.868 119.411 120.500 -0.369 0.000 2.105 199 R HA -0.083 4.257 4.340 0.001 0.000 0.239 199 R C 2.377 178.363 176.300 -0.522 0.000 1.135 199 R CA 1.367 57.180 56.100 -0.478 0.000 0.967 199 R CB -0.568 29.647 30.300 -0.142 0.000 0.861 199 R HN 0.496 nan 8.270 nan 0.000 0.442 200 Y N 0.897 120.927 120.300 -0.451 0.000 2.263 200 Y HA -0.072 4.478 4.550 0.001 0.000 0.292 200 Y C 2.328 177.805 175.900 -0.704 0.000 1.130 200 Y CA 0.956 58.651 58.100 -0.675 0.000 1.179 200 Y CB -0.152 37.711 38.460 -0.995 0.000 0.998 200 Y HN -0.039 nan 8.280 nan 0.000 0.532 201 L N -1.580 119.459 121.223 -0.307 0.000 2.056 201 L HA -0.253 4.088 4.340 0.001 0.000 0.207 201 L C 1.603 178.398 176.870 -0.125 0.000 1.078 201 L CA 0.925 55.733 54.840 -0.055 0.000 0.749 201 L CB -0.563 41.583 42.059 0.144 0.000 0.901 201 L HN 0.257 nan 8.230 nan 0.000 0.433 202 C N -0.079 118.989 119.300 -0.387 0.000 2.524 202 C HA 0.253 4.714 4.460 0.001 0.000 0.301 202 C C 2.603 177.503 174.990 -0.151 0.000 1.296 202 C CA -0.040 58.804 59.018 -0.290 0.000 1.683 202 C CB -1.530 25.858 27.740 -0.587 0.000 1.764 202 C HN 0.482 nan 8.230 nan 0.000 0.597 203 A N 1.718 124.443 122.820 -0.158 0.000 1.929 203 A HA -0.044 4.277 4.320 0.001 0.000 0.216 203 A C 2.098 179.680 177.584 -0.005 0.000 1.176 203 A CA 2.046 54.021 52.037 -0.104 0.000 0.628 203 A CB -0.378 18.532 19.000 -0.151 0.000 0.816 203 A HN 0.635 nan 8.150 nan 0.000 0.444 204 S N -1.367 114.352 115.700 0.032 0.000 2.407 204 S HA 0.579 5.050 4.470 0.001 0.000 0.160 204 S C 0.918 175.558 174.600 0.066 0.000 1.066 204 S CA 0.301 58.539 58.200 0.064 0.000 1.501 204 S CB -0.733 62.521 63.200 0.089 0.000 0.675 204 S HN 1.613 nan 8.310 nan 0.000 0.421 209 F N 1.962 122.033 119.950 0.202 0.000 1.964 209 F HA 0.235 4.763 4.527 0.001 0.000 0.248 209 F C 0.722 176.513 175.800 -0.016 0.000 1.051 209 F CA -0.094 57.912 58.000 0.010 0.000 1.221 209 F CB 0.166 39.029 39.000 -0.230 0.000 1.497 209 F HN 0.344 nan 8.300 nan 0.000 0.653 210 Y N 1.844 122.205 120.300 0.101 0.000 2.619 210 Y HA 0.024 4.575 4.550 0.001 0.000 0.308 210 Y C 1.333 177.227 175.900 -0.011 0.000 1.192 210 Y CA 0.593 58.657 58.100 -0.061 0.000 1.319 210 Y CB -0.749 37.702 38.460 -0.016 0.000 1.030 210 Y HN 0.201 nan 8.280 nan 0.000 0.517 211 N N -1.403 117.377 118.700 0.133 0.000 2.564 211 N HA 0.035 4.775 4.740 0.001 0.000 0.202 211 N C 0.687 176.248 175.510 0.086 0.000 1.052 211 N CA 1.095 54.227 53.050 0.136 0.000 0.872 211 N CB 0.060 38.635 38.487 0.148 0.000 1.303 211 N HN 0.303 nan 8.380 nan 0.000 0.440 212 C N 1.322 120.644 119.300 0.038 0.000 2.778 212 C HA 0.476 4.936 4.460 0.001 0.000 0.252 212 C C 1.636 176.601 174.990 -0.042 0.000 1.693 212 C CA -0.974 58.052 59.018 0.012 0.000 1.724 212 C CB -1.602 26.161 27.740 0.038 0.000 3.153 212 C HN 0.200 nan 8.230 nan 0.000 0.493 213 L N -1.185 119.961 121.223 -0.129 0.000 2.341 213 L HA 0.300 4.641 4.340 0.001 0.000 0.214 213 L C 1.880 178.675 176.870 -0.125 0.000 1.115 213 L CA 1.523 56.256 54.840 -0.179 0.000 0.820 213 L CB -1.213 40.590 42.059 -0.427 0.000 0.944 213 L HN 0.293 nan 8.230 nan 0.000 0.452 214 E N 0.469 120.580 120.200 -0.148 0.000 2.516 214 E HA -0.027 4.324 4.350 0.001 0.000 0.199 214 E C 1.000 177.505 176.600 -0.158 0.000 1.069 214 E CA 0.721 56.945 56.400 -0.293 0.000 0.876 214 E CB 0.009 29.529 29.700 -0.300 0.000 0.843 214 E HN 0.755 nan 8.360 nan 0.000 0.530 215 S N -1.063 114.591 115.700 -0.076 0.000 3.053 215 S HA 0.090 4.561 4.470 0.001 0.000 0.255 215 S C -0.038 174.556 174.600 -0.010 0.000 0.976 215 S CA -0.626 57.552 58.200 -0.037 0.000 1.159 215 S CB 0.291 63.479 63.200 -0.020 0.000 1.110 215 S HN 0.055 nan 8.310 nan 0.000 0.633 216 V N 1.267 121.179 119.914 -0.003 0.000 2.567 216 V HA 0.569 4.690 4.120 0.001 0.000 0.289 216 V C -0.558 175.552 176.094 0.026 0.000 1.049 216 V CA -0.336 61.978 62.300 0.024 0.000 0.969 216 V CB 1.376 33.227 31.823 0.047 0.000 0.995 216 V HN 0.316 nan 8.190 nan 0.000 0.471 217 D N 4.103 124.523 120.400 0.033 0.000 2.374 217 D HA 0.160 4.800 4.640 0.001 0.000 0.240 217 D C 1.172 177.482 176.300 0.016 0.000 1.229 217 D CA 0.442 54.460 54.000 0.030 0.000 0.895 217 D CB 1.248 42.066 40.800 0.029 0.000 1.046 217 D HN 0.637 nan 8.370 nan 0.000 0.498 218 V N 1.839 121.750 119.914 -0.004 0.000 2.332 218 V HA -0.197 3.924 4.120 0.001 0.000 0.248 218 V C 1.523 177.476 176.094 -0.236 0.000 1.055 218 V CA 1.449 63.684 62.300 -0.108 0.000 1.038 218 V CB -0.343 31.467 31.823 -0.022 0.000 0.651 218 V HN 0.311 nan 8.190 nan 0.000 0.450 219 D N -0.701 119.649 120.400 -0.083 0.000 2.178 219 D HA -0.164 4.477 4.640 0.001 0.000 0.201 219 D C 2.124 178.344 176.300 -0.134 0.000 0.980 219 D CA 1.887 55.848 54.000 -0.066 0.000 0.842 219 D CB -0.383 40.413 40.800 -0.007 0.000 0.948 219 D HN 0.757 nan 8.370 nan 0.000 0.472 220 H N 0.588 119.557 119.070 -0.168 0.000 2.415 220 H HA -0.004 4.553 4.556 0.001 0.000 0.297 220 H C 1.512 176.718 175.328 -0.203 0.000 1.048 220 H CA 0.725 56.667 56.048 -0.176 0.000 1.365 220 H CB 0.706 30.387 29.762 -0.135 0.000 1.421 220 H HN -0.024 nan 8.280 nan 0.000 0.533 221 E N 0.987 121.037 120.200 -0.250 0.000 2.047 221 E HA -0.092 4.258 4.350 0.001 0.000 0.191 221 E C 2.388 178.791 176.600 -0.327 0.000 0.987 221 E CA 0.880 57.078 56.400 -0.336 0.000 0.799 221 E CB -0.484 29.178 29.700 -0.063 0.000 0.752 221 E HN 0.509 nan 8.360 nan 0.000 0.449 222 A N 1.335 124.039 122.820 -0.192 0.000 1.873 222 A HA -0.149 4.172 4.320 0.001 0.000 0.218 222 A C 2.538 180.061 177.584 -0.101 0.000 1.193 222 A CA 2.281 54.252 52.037 -0.109 0.000 0.629 222 A CB -1.313 17.558 19.000 -0.216 0.000 0.826 222 A HN 0.353 nan 8.150 nan 0.000 0.447 223 G N -0.702 107.992 108.800 -0.178 0.000 2.450 223 G HA2 -0.275 3.685 3.960 0.001 0.000 0.220 223 G HA3 -0.275 3.685 3.960 0.001 0.000 0.220 223 G C 1.683 176.427 174.900 -0.260 0.000 1.130 223 G CA 1.204 46.189 45.100 -0.192 0.000 0.760 223 G HN 0.644 nan 8.290 nan 0.000 0.557 224 R N -0.656 119.566 120.500 -0.464 0.000 2.092 224 R HA 0.022 4.363 4.340 0.001 0.000 0.231 224 R C 1.635 177.665 176.300 -0.450 0.000 1.119 224 R CA 1.130 56.888 56.100 -0.570 0.000 0.970 224 R CB -0.338 29.434 30.300 -0.879 0.000 0.864 224 R HN 0.337 nan 8.270 nan 0.000 0.440 225 F N 0.159 119.996 119.950 -0.188 0.000 2.797 225 F HA 0.350 4.878 4.527 0.001 0.000 0.302 225 F C 1.372 177.060 175.800 -0.186 0.000 1.130 225 F CA 0.530 58.410 58.000 -0.199 0.000 1.387 225 F CB 0.432 39.206 39.000 -0.377 0.000 1.107 225 F HN 0.293 nan 8.300 nan 0.000 0.577 226 G N 0.889 109.693 108.800 0.007 0.000 2.246 226 G HA2 -0.256 3.704 3.960 0.001 0.000 0.273 226 G HA3 -0.256 3.704 3.960 0.001 0.000 0.273 226 G C 0.583 175.519 174.900 0.059 0.000 1.055 226 G CA 0.393 45.520 45.100 0.046 0.000 0.851 226 G HN 0.250 nan 8.290 nan 0.000 0.500 227 I N -1.121 119.443 120.570 -0.009 0.000 4.240 227 I HA 0.193 4.364 4.170 0.001 0.000 0.331 227 I C 1.847 177.911 176.117 -0.089 0.000 1.381 227 I CA -0.792 60.405 61.300 -0.171 0.000 1.136 227 I CB -0.916 36.871 38.000 -0.354 0.000 1.137 227 I HN 0.290 nan 8.210 nan 0.000 0.411 228 Y N 3.539 123.837 120.300 -0.004 0.000 2.114 228 Y HA -0.330 4.221 4.550 0.001 0.000 0.282 228 Y C 2.930 178.901 175.900 0.119 0.000 1.165 228 Y CA 2.556 60.700 58.100 0.073 0.000 1.148 228 Y CB -0.348 38.165 38.460 0.088 0.000 0.972 228 Y HN 0.429 nan 8.280 nan 0.000 0.504 229 H N -0.591 118.437 119.070 -0.070 0.000 2.293 229 H HA -0.092 4.464 4.556 0.001 0.000 0.300 229 H C 2.201 177.426 175.328 -0.173 0.000 1.082 229 H CA 1.679 57.645 56.048 -0.137 0.000 1.308 229 H CB -0.996 28.753 29.762 -0.021 0.000 1.375 229 H HN 0.298 nan 8.280 nan 0.000 0.495 230 R N 0.219 120.228 120.500 -0.818 0.000 2.115 230 R HA -0.243 4.098 4.340 0.001 0.000 0.239 230 R C 2.490 178.427 176.300 -0.606 0.000 1.133 230 R CA 1.975 57.585 56.100 -0.817 0.000 0.935 230 R CB -1.020 28.638 30.300 -1.070 0.000 0.853 230 R HN 0.356 nan 8.270 nan 0.000 0.433 231 Y N 1.359 121.334 120.300 -0.542 0.000 2.139 231 Y HA -0.371 4.180 4.550 0.001 0.000 0.282 231 Y C 2.414 178.126 175.900 -0.313 0.000 1.179 231 Y CA 1.483 59.365 58.100 -0.363 0.000 1.161 231 Y CB -0.575 37.756 38.460 -0.215 0.000 0.970 231 Y HN 0.117 nan 8.280 nan 0.000 0.511 232 C N 0.269 119.294 119.300 -0.460 0.000 2.440 232 C HA -0.151 4.310 4.460 0.001 0.000 0.278 232 C C 2.791 177.565 174.990 -0.360 0.000 1.295 232 C CA 1.070 59.802 59.018 -0.476 0.000 1.738 232 C CB -1.383 26.122 27.740 -0.392 0.000 1.987 232 C HN 0.636 nan 8.230 nan 0.000 0.492 233 I N 0.892 121.311 120.570 -0.252 0.000 2.226 233 I HA -0.225 3.945 4.170 0.001 0.000 0.245 233 I C 2.657 178.658 176.117 -0.193 0.000 1.100 233 I CA 1.822 63.040 61.300 -0.137 0.000 1.374 233 I CB -0.731 37.313 38.000 0.073 0.000 1.057 233 I HN 0.461 nan 8.210 nan 0.000 0.413 234 E N 1.307 121.376 120.200 -0.219 0.000 2.051 234 E HA -0.269 4.081 4.350 0.001 0.000 0.192 234 E C 2.413 178.816 176.600 -0.328 0.000 0.991 234 E CA 1.246 57.549 56.400 -0.162 0.000 0.799 234 E CB 0.002 29.631 29.700 -0.118 0.000 0.748 234 E HN 0.258 nan 8.360 nan 0.000 0.449 235 R N -0.193 120.040 120.500 -0.445 0.000 2.066 235 R HA -0.088 4.253 4.340 0.001 0.000 0.232 235 R C 2.281 178.415 176.300 -0.276 0.000 1.131 235 R CA 1.230 57.102 56.100 -0.380 0.000 0.955 235 R CB -0.307 29.664 30.300 -0.548 0.000 0.851 235 R HN 0.223 nan 8.270 nan 0.000 0.432 236 A N 0.634 123.259 122.820 -0.324 0.000 1.978 236 A HA -0.138 4.183 4.320 0.001 0.000 0.220 236 A C 2.277 179.633 177.584 -0.381 0.000 1.170 236 A CA 1.749 53.610 52.037 -0.293 0.000 0.636 236 A CB -0.652 18.189 19.000 -0.264 0.000 0.810 236 A HN 0.540 nan 8.150 nan 0.000 0.448 237 A N -0.397 122.091 122.820 -0.553 0.000 1.930 237 A HA 0.249 4.570 4.320 0.001 0.000 0.217 237 A C 2.399 179.408 177.584 -0.958 0.000 1.175 237 A CA 1.750 53.249 52.037 -0.897 0.000 0.627 237 A CB -0.765 17.379 19.000 -1.426 0.000 0.815 237 A HN 1.024 nan 8.150 nan 0.000 0.443 238 A N -1.790 120.509 122.820 -0.869 0.000 2.067 238 A HA -0.053 4.268 4.320 0.001 0.000 0.217 238 A C 1.944 179.025 177.584 -0.839 0.000 1.156 238 A CA 1.194 52.568 52.037 -1.104 0.000 0.683 238 A CB -0.621 17.474 19.000 -1.508 0.000 0.808 238 A HN 0.676 nan 8.150 nan 0.000 0.455 239 H N -1.231 117.554 119.070 -0.476 0.000 2.516 239 H HA 0.099 4.656 4.556 0.001 0.000 0.284 239 H C 2.058 177.240 175.328 -0.243 0.000 0.999 239 H CA 1.127 56.995 56.048 -0.301 0.000 1.303 239 H CB 0.320 29.933 29.762 -0.248 0.000 1.452 239 H HN 0.486 nan 8.280 nan 0.000 0.530 240 S N 1.083 116.676 115.700 -0.177 0.000 2.406 240 S HA 0.068 4.539 4.470 0.001 0.000 0.228 240 S C 1.372 175.867 174.600 -0.177 0.000 1.020 240 S CA 0.303 58.395 58.200 -0.181 0.000 0.965 240 S CB -0.059 62.999 63.200 -0.236 0.000 0.798 240 S HN 0.401 nan 8.310 nan 0.000 0.488 241 A N 2.107 124.806 122.820 -0.202 0.000 2.520 241 A HA 0.077 4.398 4.320 0.001 0.000 0.235 241 A C 0.803 178.337 177.584 -0.083 0.000 1.065 241 A CA -0.119 51.844 52.037 -0.123 0.000 0.764 241 A CB 0.061 19.038 19.000 -0.038 0.000 1.002 241 A HN 0.175 nan 8.150 nan 0.000 0.502 242 D N 0.269 120.627 120.400 -0.070 0.000 2.149 242 D HA 0.035 4.675 4.640 0.001 0.000 0.201 242 D C 0.198 176.464 176.300 -0.058 0.000 0.972 242 D CA 1.366 55.320 54.000 -0.076 0.000 0.835 242 D CB -0.055 40.686 40.800 -0.099 0.000 0.966 242 D HN 0.211 nan 8.370 nan 0.000 0.476 243 V N 1.640 121.529 119.914 -0.042 0.000 2.443 243 V HA 0.220 4.341 4.120 0.001 0.000 0.293 243 V C -0.897 175.235 176.094 0.063 0.000 1.021 243 V CA -0.986 61.297 62.300 -0.029 0.000 0.848 243 V CB 1.945 33.711 31.823 -0.094 0.000 0.998 243 V HN -0.103 nan 8.190 nan 0.000 0.424 244 F N 5.301 125.193 119.950 -0.096 0.000 2.415 244 F HA 0.784 5.312 4.527 0.001 0.000 0.348 244 F C 0.397 176.137 175.800 -0.099 0.000 1.119 244 F CA -0.585 57.377 58.000 -0.064 0.000 1.069 244 F CB 1.416 40.378 39.000 -0.064 0.000 1.124 244 F HN 0.631 nan 8.300 nan 0.000 0.472 245 T N 1.564 115.886 114.554 -0.386 0.000 2.896 245 T HA 0.833 5.184 4.350 0.001 0.000 0.297 245 T C -0.433 173.895 174.700 -0.620 0.000 1.108 245 T CA -0.651 61.136 62.100 -0.521 0.000 1.004 245 T CB 1.718 70.387 68.868 -0.331 0.000 1.159 245 T HN 0.681 nan 8.240 nan 0.000 0.499 246 T N -1.474 112.795 114.554 -0.474 0.000 2.907 246 T HA 0.557 4.908 4.350 0.001 0.000 0.290 246 T C 1.440 175.977 174.700 -0.271 0.000 1.066 246 T CA -0.238 61.649 62.100 -0.355 0.000 1.012 246 T CB 1.178 69.894 68.868 -0.255 0.000 1.184 246 T HN 1.006 nan 8.240 nan 0.000 0.522 247 V N -1.359 118.418 119.914 -0.229 0.000 3.041 247 V HA 0.270 4.391 4.120 0.001 0.000 0.260 247 V C 0.851 176.913 176.094 -0.052 0.000 1.105 247 V CA 0.787 62.977 62.300 -0.183 0.000 1.125 247 V CB -1.497 30.254 31.823 -0.119 0.000 0.730 247 V HN 1.149 nan 8.190 nan 0.000 0.479 248 S N -2.550 113.166 115.700 0.027 0.000 2.596 248 S HA 0.420 4.890 4.470 0.001 0.000 0.270 248 S C 0.285 174.935 174.600 0.084 0.000 1.155 248 S CA -0.601 57.676 58.200 0.129 0.000 0.827 248 S CB 1.990 65.335 63.200 0.242 0.000 1.130 248 S HN -0.021 nan 8.310 nan 0.000 0.467 249 Q N 0.075 119.941 119.800 0.110 0.000 2.124 249 Q HA -0.034 4.307 4.340 0.001 0.000 0.202 249 Q C 1.773 177.847 176.000 0.123 0.000 0.977 249 Q CA 1.642 57.503 55.803 0.096 0.000 0.850 249 Q CB -0.582 28.210 28.738 0.089 0.000 0.901 249 Q HN 0.804 nan 8.270 nan 0.000 0.429 250 I N 0.027 120.667 120.570 0.117 0.000 2.406 250 I HA -0.145 4.026 4.170 0.001 0.000 0.249 250 I C 1.683 177.962 176.117 0.270 0.000 1.122 250 I CA 1.382 62.779 61.300 0.162 0.000 1.431 250 I CB -0.339 37.696 38.000 0.057 0.000 1.087 250 I HN 0.035 nan 8.210 nan 0.000 0.424 251 T N 0.873 115.539 114.554 0.185 0.000 2.867 251 T HA -0.025 4.325 4.350 0.001 0.000 0.268 251 T C 1.906 176.692 174.700 0.144 0.000 1.057 251 T CA 1.159 63.368 62.100 0.182 0.000 1.136 251 T CB -0.465 68.469 68.868 0.110 0.000 0.874 251 T HN 0.461 nan 8.240 nan 0.000 0.466 252 A N 0.433 123.305 122.820 0.088 0.000 2.121 252 A HA 0.076 4.397 4.320 0.001 0.000 0.218 252 A C 1.870 179.502 177.584 0.080 0.000 1.154 252 A CA 0.800 52.847 52.037 0.016 0.000 0.679 252 A CB -0.740 18.247 19.000 -0.022 0.000 0.795 252 A HN 0.536 nan 8.150 nan 0.000 0.458 253 F N 0.321 120.303 119.950 0.053 0.000 2.147 253 F HA 0.008 4.536 4.527 0.001 0.000 0.291 253 F C 2.092 177.954 175.800 0.104 0.000 1.093 253 F CA 1.626 59.667 58.000 0.070 0.000 1.263 253 F CB -0.254 38.832 39.000 0.143 0.000 1.036 253 F HN 0.290 nan 8.300 nan 0.000 0.481 254 E N 0.541 120.926 120.200 0.308 0.000 2.082 254 E HA -0.375 3.976 4.350 0.001 0.000 0.215 254 E C 2.284 178.940 176.600 0.094 0.000 1.048 254 E CA 1.682 58.226 56.400 0.241 0.000 0.869 254 E CB -0.622 29.319 29.700 0.401 0.000 0.773 254 E HN 0.528 nan 8.360 nan 0.000 0.466 255 A N 1.156 124.046 122.820 0.118 0.000 1.851 255 A HA -0.307 4.014 4.320 0.001 0.000 0.216 255 A C 2.070 179.695 177.584 0.069 0.000 1.195 255 A CA 2.062 54.190 52.037 0.152 0.000 0.622 255 A CB -0.820 18.276 19.000 0.161 0.000 0.831 255 A HN 0.447 nan 8.150 nan 0.000 0.444 256 E N -0.903 119.238 120.200 -0.098 0.000 2.147 256 E HA -0.317 4.034 4.350 0.001 0.000 0.199 256 E C 1.602 178.047 176.600 -0.259 0.000 1.005 256 E CA 2.050 58.314 56.400 -0.227 0.000 0.810 256 E CB -0.260 29.182 29.700 -0.430 0.000 0.736 256 E HN 0.874 nan 8.360 nan 0.000 0.460 257 H N -1.186 117.819 119.070 -0.109 0.000 2.553 257 H HA 0.204 4.761 4.556 0.001 0.000 0.276 257 H C 1.806 177.142 175.328 0.012 0.000 0.979 257 H CA 0.480 56.469 56.048 -0.098 0.000 1.268 257 H CB 0.446 30.059 29.762 -0.248 0.000 1.450 257 H HN 0.108 nan 8.280 nan 0.000 0.527 258 L N 0.037 121.358 121.223 0.163 0.000 2.375 258 L HA 0.061 4.402 4.340 0.001 0.000 0.215 258 L C 1.264 178.312 176.870 0.297 0.000 1.108 258 L CA 0.631 55.607 54.840 0.227 0.000 0.830 258 L CB 0.269 42.479 42.059 0.251 0.000 0.959 258 L HN 0.281 nan 8.230 nan 0.000 0.457 259 L N -1.439 119.921 121.223 0.228 0.000 2.642 259 L HA 0.158 4.499 4.340 0.001 0.000 0.233 259 L C 0.490 177.484 176.870 0.207 0.000 1.077 259 L CA -0.018 54.935 54.840 0.188 0.000 0.879 259 L CB 0.463 42.617 42.059 0.158 0.000 1.151 259 L HN 0.029 nan 8.230 nan 0.000 0.495 260 K N 0.570 121.077 120.400 0.177 0.000 3.368 260 K HA -0.108 4.212 4.320 0.001 0.000 0.287 260 K C -0.069 176.630 176.600 0.164 0.000 1.316 260 K CA 0.576 56.974 56.287 0.186 0.000 0.841 260 K CB -1.620 31.010 32.500 0.216 0.000 1.492 260 K HN 0.356 nan 8.250 nan 0.000 0.511 261 R N 1.119 121.649 120.500 0.049 0.000 2.510 261 R HA 0.201 4.542 4.340 0.001 0.000 0.287 261 R C -0.782 175.576 176.300 0.097 0.000 1.084 261 R CA -0.668 55.424 56.100 -0.014 0.000 0.934 261 R CB 1.356 31.441 30.300 -0.358 0.000 1.201 261 R HN 0.109 nan 8.270 nan 0.000 0.431 262 K N 5.809 126.225 120.400 0.027 0.000 2.402 262 K HA 0.160 4.481 4.320 0.001 0.000 0.285 262 K C -2.143 174.449 176.600 -0.013 0.000 1.054 262 K CA -1.173 55.103 56.287 -0.018 0.000 1.001 262 K CB 0.557 33.036 32.500 -0.035 0.000 0.946 262 K HN 0.273 nan 8.250 nan 0.000 0.473 263 P HA -0.062 nan 4.420 nan 0.000 0.265 263 P C -0.416 176.789 177.300 -0.160 0.000 1.187 263 P CA 0.046 62.957 63.100 -0.315 0.000 0.766 263 P CB 0.530 31.936 31.700 -0.490 0.000 0.820 264 D N 0.827 121.147 120.400 -0.134 0.000 2.317 264 D HA 0.077 4.717 4.640 0.001 0.000 0.211 264 D C 1.132 177.375 176.300 -0.094 0.000 0.966 264 D CA 1.031 54.980 54.000 -0.084 0.000 0.876 264 D CB 0.285 41.048 40.800 -0.063 0.000 0.927 264 D HN 0.548 nan 8.370 nan 0.000 0.519 265 G N -0.199 108.517 108.800 -0.141 0.000 2.441 265 G HA2 0.407 4.368 3.960 0.001 0.000 0.294 265 G HA3 0.407 4.368 3.960 0.001 0.000 0.294 265 G C -1.896 172.912 174.900 -0.153 0.000 1.393 265 G CA -0.634 44.397 45.100 -0.115 0.000 0.796 265 G HN -0.087 nan 8.290 nan 0.000 0.494 266 I N 0.649 121.156 120.570 -0.106 0.000 2.433 266 I HA 0.463 4.633 4.170 0.001 0.000 0.292 266 I C -0.210 175.832 176.117 -0.125 0.000 1.001 266 I CA -1.013 60.220 61.300 -0.112 0.000 1.119 266 I CB 1.409 39.386 38.000 -0.038 0.000 1.289 266 I HN 0.370 nan 8.210 nan 0.000 0.438 267 L N 7.754 128.873 121.223 -0.174 0.000 2.599 267 L HA 0.336 4.677 4.340 0.001 0.000 0.241 267 L C -2.323 174.463 176.870 -0.140 0.000 1.207 267 L CA -1.520 53.243 54.840 -0.128 0.000 0.987 267 L CB 0.703 42.593 42.059 -0.281 0.000 1.318 267 L HN 0.255 nan 8.230 nan 0.000 0.458 268 P HA 0.014 nan 4.420 nan 0.000 0.268 268 P C -0.591 176.155 177.300 -0.922 0.000 1.205 268 P CA -0.103 62.527 63.100 -0.784 0.000 0.771 268 P CB 0.434 31.567 31.700 -0.944 0.000 0.858 269 N N 1.789 119.468 118.700 -1.702 0.000 2.405 269 N HA 0.181 4.922 4.740 0.001 0.000 0.260 269 N C 0.853 175.718 175.510 -1.075 0.000 1.152 269 N CA 0.293 52.605 53.050 -1.230 0.000 0.948 269 N CB 0.529 38.165 38.487 -1.419 0.000 1.111 269 N HN 0.456 nan 8.380 nan 0.000 0.485 270 G N 1.188 109.038 108.800 -1.583 0.000 2.563 270 G HA2 0.621 4.582 3.960 0.001 0.000 0.283 270 G HA3 0.621 4.582 3.960 0.001 0.000 0.283 270 G C -0.190 174.038 174.900 -1.120 0.000 1.309 270 G CA -0.302 43.939 45.100 -1.431 0.000 1.022 270 G HN 0.430 nan 8.290 nan 0.000 0.501 271 L N -1.342 119.486 121.223 -0.658 0.000 2.341 271 L HA 0.374 4.715 4.340 0.001 0.000 0.254 271 L C -0.439 176.424 176.870 -0.012 0.000 1.040 271 L CA -1.009 53.756 54.840 -0.125 0.000 0.837 271 L CB 2.206 44.347 42.059 0.138 0.000 1.425 271 L HN 0.291 nan 8.230 nan 0.000 0.414 272 N N 0.130 118.931 118.700 0.167 0.000 3.034 272 N HA 0.160 4.900 4.740 0.001 0.000 0.265 272 N C 0.849 176.463 175.510 0.172 0.000 1.166 272 N CA -0.022 53.119 53.050 0.151 0.000 1.081 272 N CB 0.734 39.273 38.487 0.088 0.000 1.378 272 N HN 0.391 nan 8.380 nan 0.000 0.520 273 V N 2.139 122.159 119.914 0.177 0.000 2.370 273 V HA -0.320 3.801 4.120 0.001 0.000 0.252 273 V C 2.100 178.305 176.094 0.185 0.000 1.068 273 V CA 1.466 63.898 62.300 0.220 0.000 1.061 273 V CB -0.492 31.400 31.823 0.115 0.000 0.656 273 V HN 0.621 nan 8.190 nan 0.000 0.455 274 I N 0.426 121.056 120.570 0.099 0.000 2.143 274 I HA -0.379 3.792 4.170 0.001 0.000 0.245 274 I C 2.447 178.576 176.117 0.020 0.000 1.068 274 I CA 2.493 63.823 61.300 0.049 0.000 1.326 274 I CB -0.614 37.397 38.000 0.018 0.000 1.028 274 I HN 0.356 nan 8.210 nan 0.000 0.412 275 K N 0.747 121.126 120.400 -0.035 0.000 2.574 275 K HA -0.106 4.215 4.320 0.001 0.000 0.193 275 K C 1.384 177.781 176.600 -0.338 0.000 1.035 275 K CA 1.180 57.350 56.287 -0.196 0.000 0.982 275 K CB -0.101 32.230 32.500 -0.281 0.000 0.795 275 K HN 0.280 nan 8.250 nan 0.000 0.491 276 F N 0.312 120.257 119.950 -0.007 0.000 2.704 276 F HA 0.271 4.799 4.527 0.001 0.000 0.304 276 F C 0.768 176.562 175.800 -0.010 0.000 1.094 276 F CA -0.431 57.566 58.000 -0.006 0.000 1.275 276 F CB 0.730 39.731 39.000 0.000 0.000 1.073 276 F HN -0.001 nan 8.300 nan 0.000 0.586 286 H N 1.170 120.217 119.070 -0.038 0.000 2.253 286 H HA 0.103 4.660 4.556 0.001 0.000 0.299 286 H C 1.930 177.230 175.328 -0.046 0.000 1.064 286 H CA 2.902 58.915 56.048 -0.059 0.000 1.264 286 H CB -0.496 29.232 29.762 -0.056 0.000 1.371 286 H HN 0.361 nan 8.280 nan 0.000 0.493 287 A N 0.961 123.601 122.820 -0.301 0.000 1.923 287 A HA -0.268 4.053 4.320 0.001 0.000 0.222 287 A C 2.603 180.094 177.584 -0.155 0.000 1.258 287 A CA 2.532 54.393 52.037 -0.294 0.000 0.670 287 A CB -1.447 17.470 19.000 -0.138 0.000 0.834 287 A HN 0.549 nan 8.150 nan 0.000 0.470 288 L N -1.293 119.884 121.223 -0.077 0.000 2.131 288 L HA -0.069 4.272 4.340 0.001 0.000 0.210 288 L C 2.029 178.876 176.870 -0.039 0.000 1.092 288 L CA 2.519 57.333 54.840 -0.043 0.000 0.759 288 L CB -0.344 41.700 42.059 -0.023 0.000 0.903 288 L HN 0.269 nan 8.230 nan 0.000 0.435 289 K N -0.494 119.880 120.400 -0.042 0.000 2.211 289 K HA -0.025 4.295 4.320 0.001 0.000 0.201 289 K C 2.046 178.616 176.600 -0.050 0.000 1.052 289 K CA 0.677 56.939 56.287 -0.043 0.000 0.973 289 K CB -0.135 32.337 32.500 -0.048 0.000 0.766 289 K HN 0.192 nan 8.250 nan 0.000 0.466 290 K N 0.968 121.334 120.400 -0.057 0.000 2.152 290 K HA -0.170 4.151 4.320 0.001 0.000 0.206 290 K C 1.479 178.116 176.600 0.062 0.000 1.048 290 K CA 1.237 57.529 56.287 0.007 0.000 0.933 290 K CB 0.151 32.609 32.500 -0.071 0.000 0.721 290 K HN 0.021 nan 8.250 nan 0.000 0.447 291 E N 0.713 120.922 120.200 0.016 0.000 2.268 291 E HA -0.142 4.209 4.350 0.001 0.000 0.195 291 E C 1.514 178.144 176.600 0.048 0.000 0.995 291 E CA 0.987 57.411 56.400 0.040 0.000 0.836 291 E CB 0.195 29.903 29.700 0.013 0.000 0.763 291 E HN 0.301 nan 8.360 nan 0.000 0.491 292 K N -0.182 120.234 120.400 0.027 0.000 2.305 292 K HA 0.104 4.425 4.320 0.001 0.000 0.199 292 K C 2.068 178.705 176.600 0.062 0.000 1.047 292 K CA 0.237 56.543 56.287 0.032 0.000 0.976 292 K CB 0.260 32.762 32.500 0.002 0.000 0.765 292 K HN 0.101 nan 8.250 nan 0.000 0.474 293 I N 1.235 121.827 120.570 0.036 0.000 2.584 293 I HA -0.187 3.984 4.170 0.001 0.000 0.255 293 I C 1.432 177.666 176.117 0.194 0.000 1.145 293 I CA 0.584 61.897 61.300 0.021 0.000 1.462 293 I CB -0.140 37.690 38.000 -0.282 0.000 1.102 293 I HN 0.122 nan 8.210 nan 0.000 0.433 294 N N 1.172 120.005 118.700 0.222 0.000 2.188 294 N HA -0.174 4.567 4.740 0.001 0.000 0.184 294 N C 1.349 176.940 175.510 0.135 0.000 1.018 294 N CA 1.392 54.585 53.050 0.239 0.000 0.858 294 N CB -0.400 38.208 38.487 0.202 0.000 0.989 294 N HN 0.285 nan 8.380 nan 0.000 0.426 295 D N 0.010 120.481 120.400 0.119 0.000 2.117 295 D HA -0.116 4.525 4.640 0.001 0.000 0.197 295 D C 1.631 177.997 176.300 0.110 0.000 0.987 295 D CA 0.546 54.596 54.000 0.082 0.000 0.829 295 D CB -0.333 40.509 40.800 0.070 0.000 0.961 295 D HN 0.251 nan 8.370 nan 0.000 0.460 296 F N 0.740 120.731 119.950 0.069 0.000 2.146 296 F HA -0.137 4.390 4.527 0.001 0.000 0.298 296 F C 2.018 177.941 175.800 0.205 0.000 1.096 296 F CA 0.885 58.956 58.000 0.119 0.000 1.275 296 F CB -0.369 38.711 39.000 0.133 0.000 1.008 296 F HN -0.192 nan 8.300 nan 0.000 0.480 297 V N 1.300 121.245 119.914 0.051 0.000 2.407 297 V HA -0.273 3.848 4.120 0.001 0.000 0.248 297 V C 2.566 178.571 176.094 -0.149 0.000 1.055 297 V CA 2.196 64.506 62.300 0.017 0.000 1.049 297 V CB -0.615 31.322 31.823 0.191 0.000 0.662 297 V HN 0.314 nan 8.190 nan 0.000 0.455 298 R N -0.122 120.214 120.500 -0.273 0.000 2.075 298 R HA -0.080 4.261 4.340 0.001 0.000 0.232 298 R C 2.362 178.560 176.300 -0.170 0.000 1.126 298 R CA 1.394 57.242 56.100 -0.420 0.000 0.963 298 R CB -0.735 29.391 30.300 -0.290 0.000 0.858 298 R HN 0.571 nan 8.270 nan 0.000 0.435 299 G N -0.609 108.121 108.800 -0.116 0.000 2.598 299 G HA2 -0.232 3.729 3.960 0.001 0.000 0.215 299 G HA3 -0.232 3.729 3.960 0.001 0.000 0.215 299 G C 1.116 176.002 174.900 -0.024 0.000 1.131 299 G CA 0.384 45.434 45.100 -0.084 0.000 0.785 299 G HN 0.373 nan 8.290 nan 0.000 0.539 300 H N -1.019 117.939 119.070 -0.186 0.000 2.604 300 H HA 0.201 4.758 4.556 0.001 0.000 0.273 300 H C 0.546 175.750 175.328 -0.207 0.000 0.971 300 H CA 0.039 55.946 56.048 -0.236 0.000 1.249 300 H CB 0.418 29.835 29.762 -0.574 0.000 1.449 300 H HN 0.365 nan 8.280 nan 0.000 0.512 301 F N 1.550 121.449 119.950 -0.085 0.000 2.750 301 F HA 0.112 4.640 4.527 0.001 0.000 0.297 301 F C 0.343 176.109 175.800 -0.056 0.000 1.138 301 F CA -0.733 57.234 58.000 -0.054 0.000 1.346 301 F CB -0.160 38.882 39.000 0.070 0.000 0.965 301 F HN 0.230 nan 8.300 nan 0.000 0.514 302 H N -1.578 117.485 119.070 -0.011 0.000 2.886 302 H HA 0.498 5.055 4.556 0.002 0.000 0.329 302 H C 1.191 176.535 175.328 0.026 0.000 1.044 302 H CA 0.208 56.259 56.048 0.005 0.000 1.456 302 H CB 0.794 30.535 29.762 -0.035 0.000 1.464 302 H HN 0.341 nan 8.280 nan 0.000 0.573 303 G N 1.755 110.551 108.800 -0.007 0.000 2.308 303 G HA2 -0.346 3.615 3.960 0.001 0.000 0.221 303 G HA3 -0.346 3.615 3.960 0.001 0.000 0.221 303 G C 0.625 175.527 174.900 0.003 0.000 1.032 303 G CA 0.096 45.160 45.100 -0.061 0.000 0.623 303 G HN 1.346 nan 8.290 nan 0.000 0.506 304 C N -1.718 117.619 119.300 0.061 0.000 3.074 304 C HA 0.705 5.165 4.460 0.001 0.000 0.224 304 C C -0.011 175.163 174.990 0.308 0.000 1.988 304 C CA -1.617 57.490 59.018 0.148 0.000 1.470 304 C CB -1.302 26.511 27.740 0.121 0.000 2.762 304 C HN 0.592 nan 8.230 nan 0.000 0.502 305 F N 4.704 124.681 119.950 0.046 0.000 2.405 305 F HA 0.402 4.929 4.527 0.001 0.000 0.358 305 F C 0.721 176.438 175.800 -0.139 0.000 1.151 305 F CA -0.603 57.337 58.000 -0.099 0.000 1.161 305 F CB 0.473 39.389 39.000 -0.140 0.000 1.245 305 F HN 0.601 nan 8.300 nan 0.000 0.545 306 D N 4.885 125.209 120.400 -0.127 0.000 2.563 306 D HA 0.075 4.715 4.640 0.001 0.000 0.237 306 D C -0.318 175.930 176.300 -0.085 0.000 1.282 306 D CA 0.015 53.950 54.000 -0.109 0.000 0.816 306 D CB -0.789 40.062 40.800 0.085 0.000 1.066 306 D HN 0.288 nan 8.370 nan 0.000 0.501 307 F N -0.640 119.114 119.950 -0.326 0.000 2.679 307 F HA 0.643 5.171 4.527 0.002 0.000 0.341 307 F C -0.458 175.146 175.800 -0.328 0.000 1.095 307 F CA -1.500 56.358 58.000 -0.236 0.000 1.004 307 F CB 0.744 39.684 39.000 -0.100 0.000 1.388 307 F HN -0.361 nan 8.300 nan 0.000 0.505 308 D N 1.209 121.623 120.400 0.024 0.000 2.396 308 D HA 0.276 4.916 4.640 0.001 0.000 0.225 308 D C 0.725 177.067 176.300 0.069 0.000 1.121 308 D CA -0.148 53.823 54.000 -0.048 0.000 0.853 308 D CB 1.160 41.942 40.800 -0.030 0.000 1.043 308 D HN 0.673 nan 8.370 nan 0.000 0.500 309 L N 2.381 123.648 121.223 0.073 0.000 2.353 309 L HA -0.101 4.240 4.340 0.001 0.000 0.220 309 L C 0.866 177.783 176.870 0.079 0.000 1.133 309 L CA 0.809 55.745 54.840 0.161 0.000 0.798 309 L CB 0.075 42.275 42.059 0.235 0.000 0.922 309 L HN 0.349 nan 8.230 nan 0.000 0.445 310 D N -0.721 119.702 120.400 0.038 0.000 2.340 310 D HA -0.051 4.590 4.640 0.001 0.000 0.220 310 D C 0.888 177.181 176.300 -0.012 0.000 1.039 310 D CA 0.579 54.589 54.000 0.017 0.000 0.866 310 D CB 0.115 40.920 40.800 0.008 0.000 0.913 310 D HN 0.177 nan 8.370 nan 0.000 0.523 311 N N -0.696 117.993 118.700 -0.018 0.000 2.232 311 N HA 0.008 4.749 4.740 0.001 0.000 0.240 311 N C -1.119 174.341 175.510 -0.083 0.000 1.307 311 N CA 0.003 53.022 53.050 -0.051 0.000 0.859 311 N CB 0.898 39.364 38.487 -0.035 0.000 1.260 311 N HN -0.114 nan 8.380 nan 0.000 0.501 312 T N -0.840 113.660 114.554 -0.089 0.000 2.824 312 T HA 0.631 4.982 4.350 0.001 0.000 0.280 312 T C -0.063 174.395 174.700 -0.404 0.000 0.995 312 T CA -0.644 61.352 62.100 -0.173 0.000 1.009 312 T CB 1.820 70.682 68.868 -0.009 0.000 0.955 312 T HN -0.055 nan 8.240 nan 0.000 0.452 313 L N 2.362 123.327 121.223 -0.430 0.000 2.334 313 L HA 0.521 4.862 4.340 0.001 0.000 0.276 313 L C -0.944 175.821 176.870 -0.175 0.000 1.014 313 L CA -1.335 53.205 54.840 -0.501 0.000 0.815 313 L CB 1.242 43.137 42.059 -0.273 0.000 1.268 313 L HN 0.624 nan 8.230 nan 0.000 0.428 314 Y N 1.959 122.561 120.300 0.503 0.000 2.328 314 Y HA 0.487 5.038 4.550 0.001 0.000 0.337 314 Y C -0.247 176.133 175.900 0.799 0.000 1.008 314 Y CA -0.751 57.710 58.100 0.602 0.000 1.129 314 Y CB 0.777 39.582 38.460 0.574 0.000 1.185 314 Y HN 0.198 nan 8.280 nan 0.000 0.476 315 F N 4.369 124.664 119.950 0.575 0.000 2.492 315 F HA 0.618 5.146 4.527 0.001 0.000 0.327 315 F C -0.345 175.822 175.800 0.612 0.000 1.079 315 F CA -2.192 56.066 58.000 0.429 0.000 0.967 315 F CB 1.454 40.661 39.000 0.346 0.000 1.169 315 F HN 0.363 nan 8.300 nan 0.000 0.472 316 F N 2.248 122.410 119.950 0.354 0.000 2.641 316 F HA 0.747 5.275 4.527 0.002 0.000 0.308 316 F C -2.070 173.604 175.800 -0.210 0.000 1.105 316 F CA -1.118 57.062 58.000 0.299 0.000 0.964 316 F CB 1.267 40.553 39.000 0.476 0.000 1.294 316 F HN 0.408 nan 8.300 nan 0.000 0.442 317 I N 2.749 123.188 120.570 -0.219 0.000 2.646 317 I HA 0.924 5.095 4.170 0.001 0.000 0.299 317 I C -1.174 175.078 176.117 0.226 0.000 1.036 317 I CA -0.821 60.200 61.300 -0.465 0.000 1.074 317 I CB 1.873 39.386 38.000 -0.812 0.000 1.258 317 I HN 1.159 nan 8.210 nan 0.000 0.430 318 A N 3.898 126.943 122.820 0.375 0.000 2.602 318 A HA 0.977 5.298 4.320 0.001 0.000 0.290 318 A C -0.495 177.220 177.584 0.218 0.000 1.114 318 A CA 0.011 52.272 52.037 0.374 0.000 0.683 318 A CB 1.301 20.661 19.000 0.600 0.000 1.281 318 A HN 1.429 nan 8.150 nan 0.000 0.416 319 G N -0.512 108.350 108.800 0.103 0.000 2.334 319 G HA2 0.327 4.288 3.960 0.001 0.000 0.315 319 G HA3 0.327 4.288 3.960 0.001 0.000 0.315 319 G C -0.658 174.262 174.900 0.033 0.000 1.284 319 G CA -0.427 44.703 45.100 0.051 0.000 0.985 319 G HN 0.834 nan 8.290 nan 0.000 0.504 320 R N -1.058 119.478 120.500 0.061 0.000 2.694 320 R HA 0.254 4.594 4.340 0.001 0.000 0.268 320 R C -0.332 176.054 176.300 0.143 0.000 1.061 320 R CA -0.447 55.704 56.100 0.086 0.000 1.133 320 R CB 0.117 30.480 30.300 0.105 0.000 1.020 320 R HN 0.503 nan 8.270 nan 0.000 0.475 321 Y N 3.195 123.510 120.300 0.026 0.000 2.517 321 Y HA 0.017 4.568 4.550 0.001 0.000 0.341 321 Y C -0.622 175.323 175.900 0.075 0.000 1.247 321 Y CA -0.055 58.080 58.100 0.059 0.000 1.774 321 Y CB -0.191 38.302 38.460 0.056 0.000 1.641 321 Y HN 0.441 nan 8.280 nan 0.000 0.457 322 E N 5.115 125.529 120.200 0.358 0.000 2.256 322 E HA -0.020 4.330 4.350 0.001 0.000 0.243 322 E C 0.160 176.934 176.600 0.290 0.000 0.925 322 E CA -0.384 56.179 56.400 0.272 0.000 0.748 322 E CB 0.546 30.348 29.700 0.168 0.000 1.206 322 E HN 0.761 nan 8.360 nan 0.000 0.428 323 Y N 3.728 124.180 120.300 0.254 0.000 2.114 323 Y HA -0.342 4.209 4.550 0.001 0.000 0.282 323 Y C 2.259 178.233 175.900 0.124 0.000 1.165 323 Y CA 2.012 60.238 58.100 0.211 0.000 1.148 323 Y CB 0.305 38.903 38.460 0.229 0.000 0.972 323 Y HN 0.244 nan 8.280 nan 0.000 0.504 324 K N 0.254 120.694 120.400 0.066 0.000 2.067 324 K HA -0.068 4.253 4.320 0.001 0.000 0.203 324 K C 1.723 178.360 176.600 0.062 0.000 1.048 324 K CA 1.532 57.805 56.287 -0.023 0.000 0.954 324 K CB -0.297 32.244 32.500 0.069 0.000 0.737 324 K HN 0.207 nan 8.250 nan 0.000 0.444 325 N N 0.737 119.519 118.700 0.136 0.000 2.069 325 N HA -0.137 4.604 4.740 0.001 0.000 0.191 325 N C 1.113 176.719 175.510 0.159 0.000 1.031 325 N CA 1.267 54.436 53.050 0.199 0.000 0.852 325 N CB -0.128 38.472 38.487 0.189 0.000 1.018 325 N HN 0.042 nan 8.380 nan 0.000 0.423 326 K N -0.302 120.159 120.400 0.100 0.000 2.444 326 K HA 0.234 4.555 4.320 0.001 0.000 0.193 326 K C 0.496 177.110 176.600 0.023 0.000 1.024 326 K CA 0.219 56.546 56.287 0.066 0.000 1.077 326 K CB -0.161 32.377 32.500 0.063 0.000 0.833 326 K HN 0.272 nan 8.250 nan 0.000 0.517 327 G N 0.182 108.976 108.800 -0.009 0.000 2.221 327 G HA2 -0.317 3.644 3.960 0.001 0.000 0.265 327 G HA3 -0.317 3.644 3.960 0.001 0.000 0.265 327 G C 0.931 175.774 174.900 -0.094 0.000 1.041 327 G CA 0.394 45.461 45.100 -0.056 0.000 0.807 327 G HN 0.356 nan 8.290 nan 0.000 0.502 328 A N 0.453 123.171 122.820 -0.169 0.000 1.972 328 A HA 0.020 4.341 4.320 0.001 0.000 0.219 328 A C 2.284 179.776 177.584 -0.154 0.000 1.169 328 A CA 2.149 54.124 52.037 -0.104 0.000 0.635 328 A CB -0.278 18.674 19.000 -0.082 0.000 0.810 328 A HN 0.807 nan 8.150 nan 0.000 0.446 329 D N -0.258 119.839 120.400 -0.504 0.000 2.097 329 D HA -0.216 4.425 4.640 0.001 0.000 0.195 329 D C 1.866 178.103 176.300 -0.104 0.000 0.989 329 D CA 1.460 55.264 54.000 -0.327 0.000 0.827 329 D CB -0.678 39.848 40.800 -0.457 0.000 0.966 329 D HN 0.442 nan 8.370 nan 0.000 0.456 330 M N -0.990 118.557 119.600 -0.088 0.000 2.374 330 M HA -0.048 4.432 4.480 0.001 0.000 0.264 330 M C 1.777 178.117 176.300 0.067 0.000 1.067 330 M CA 0.659 55.950 55.300 -0.015 0.000 1.103 330 M CB -0.117 32.476 32.600 -0.011 0.000 1.402 330 M HN -0.039 nan 8.290 nan 0.000 0.444 331 F N 1.065 120.960 119.950 -0.091 0.000 2.118 331 F HA -0.078 4.450 4.527 0.001 0.000 0.293 331 F C 1.838 177.614 175.800 -0.039 0.000 1.102 331 F CA 1.316 59.275 58.000 -0.069 0.000 1.247 331 F CB -0.517 38.431 39.000 -0.086 0.000 1.017 331 F HN -0.049 nan 8.300 nan 0.000 0.475 332 I N 0.292 120.783 120.570 -0.132 0.000 2.163 332 I HA -0.288 3.883 4.170 0.001 0.000 0.243 332 I C 2.415 178.437 176.117 -0.158 0.000 1.085 332 I CA 1.894 63.062 61.300 -0.220 0.000 1.347 332 I CB -0.578 37.371 38.000 -0.086 0.000 1.044 332 I HN 0.171 nan 8.210 nan 0.000 0.408 333 E N 1.467 121.620 120.200 -0.079 0.000 2.058 333 E HA -0.229 4.122 4.350 0.001 0.000 0.194 333 E C 2.101 178.662 176.600 -0.065 0.000 0.997 333 E CA 1.870 58.235 56.400 -0.058 0.000 0.801 333 E CB -0.224 29.456 29.700 -0.033 0.000 0.746 333 E HN 0.423 nan 8.360 nan 0.000 0.450 334 A N 0.026 122.812 122.820 -0.056 0.000 2.019 334 A HA -0.103 4.218 4.320 0.001 0.000 0.219 334 A C 2.097 179.645 177.584 -0.060 0.000 1.164 334 A CA 1.206 53.221 52.037 -0.036 0.000 0.644 334 A CB -0.559 18.447 19.000 0.010 0.000 0.805 334 A HN 0.357 nan 8.150 nan 0.000 0.449 335 L N -0.463 120.670 121.223 -0.149 0.000 2.056 335 L HA -0.037 4.304 4.340 0.001 0.000 0.207 335 L C 2.833 179.635 176.870 -0.113 0.000 1.078 335 L CA 1.822 56.551 54.840 -0.184 0.000 0.749 335 L CB -1.003 40.822 42.059 -0.390 0.000 0.901 335 L HN 0.378 nan 8.230 nan 0.000 0.433 336 A N -0.628 122.132 122.820 -0.101 0.000 1.902 336 A HA -0.225 4.096 4.320 0.001 0.000 0.217 336 A C 2.391 179.970 177.584 -0.008 0.000 1.181 336 A CA 1.688 53.691 52.037 -0.056 0.000 0.623 336 A CB -0.469 18.498 19.000 -0.055 0.000 0.818 336 A HN 0.433 nan 8.150 nan 0.000 0.443 337 R N -1.168 119.322 120.500 -0.017 0.000 2.148 337 R HA -0.030 4.311 4.340 0.001 0.000 0.227 337 R C 1.959 178.289 176.300 0.050 0.000 1.103 337 R CA 1.191 57.293 56.100 0.003 0.000 0.983 337 R CB -0.437 29.844 30.300 -0.033 0.000 0.874 337 R HN 0.483 nan 8.270 nan 0.000 0.451 338 L N 1.147 122.384 121.223 0.023 0.000 2.291 338 L HA -0.075 4.266 4.340 0.001 0.000 0.214 338 L C 1.723 178.606 176.870 0.022 0.000 1.120 338 L CA 1.416 56.275 54.840 0.031 0.000 0.799 338 L CB -0.382 41.693 42.059 0.026 0.000 0.925 338 L HN 0.068 nan 8.230 nan 0.000 0.446 339 N N -0.907 117.805 118.700 0.019 0.000 2.051 339 N HA -0.277 4.464 4.740 0.001 0.000 0.192 339 N C 1.806 177.342 175.510 0.042 0.000 1.049 339 N CA 1.878 54.931 53.050 0.005 0.000 0.845 339 N CB -0.629 37.860 38.487 0.003 0.000 1.031 339 N HN 0.440 nan 8.380 nan 0.000 0.425 340 Y N 1.866 122.145 120.300 -0.033 0.000 1.967 340 Y HA -0.345 4.206 4.550 0.001 0.000 0.255 340 Y C 2.396 178.282 175.900 -0.023 0.000 1.197 340 Y CA 2.558 60.644 58.100 -0.024 0.000 1.088 340 Y CB -0.354 38.094 38.460 -0.019 0.000 0.917 340 Y HN 0.135 nan 8.280 nan 0.000 0.497 341 R N -0.235 120.399 120.500 0.224 0.000 2.226 341 R HA -0.204 4.136 4.340 0.001 0.000 0.246 341 R C 2.040 178.349 176.300 0.015 0.000 1.161 341 R CA 1.681 57.854 56.100 0.122 0.000 0.997 341 R CB -0.509 29.853 30.300 0.104 0.000 0.870 341 R HN 0.461 nan 8.270 nan 0.000 0.465 342 L N -0.175 121.037 121.223 -0.018 0.000 2.408 342 L HA 0.011 4.352 4.340 0.001 0.000 0.215 342 L C 2.123 178.945 176.870 -0.081 0.000 1.081 342 L CA 0.327 55.138 54.840 -0.049 0.000 0.840 342 L CB -0.109 41.915 42.059 -0.058 0.000 1.002 342 L HN 0.015 nan 8.230 nan 0.000 0.468 343 K N 0.470 120.801 120.400 -0.114 0.000 1.965 343 K HA -0.085 4.236 4.320 0.001 0.000 0.214 343 K C 2.043 178.537 176.600 -0.177 0.000 1.042 343 K CA 1.091 57.287 56.287 -0.152 0.000 0.950 343 K CB -0.723 31.655 32.500 -0.204 0.000 0.733 343 K HN -0.002 nan 8.250 nan 0.000 0.441 344 V N 2.487 122.230 119.914 -0.285 0.000 2.313 344 V HA -0.277 3.844 4.120 0.001 0.000 0.253 344 V C 2.420 178.446 176.094 -0.114 0.000 1.070 344 V CA 2.455 64.609 62.300 -0.242 0.000 1.057 344 V CB -0.834 30.807 31.823 -0.304 0.000 0.653 344 V HN 0.520 nan 8.190 nan 0.000 0.450 345 S N -0.095 115.557 115.700 -0.080 0.000 2.603 345 S HA 0.231 4.702 4.470 0.001 0.000 0.220 345 S C 1.362 175.934 174.600 -0.048 0.000 0.967 345 S CA 0.441 58.614 58.200 -0.044 0.000 0.920 345 S CB -0.173 63.013 63.200 -0.023 0.000 0.773 345 S HN 1.362 nan 8.310 nan 0.000 0.529 346 G N 1.312 110.073 108.800 -0.064 0.000 2.352 346 G HA2 -0.228 3.733 3.960 0.001 0.000 0.283 346 G HA3 -0.228 3.733 3.960 0.001 0.000 0.283 346 G C -0.124 174.747 174.900 -0.049 0.000 0.946 346 G CA 0.480 45.546 45.100 -0.057 0.000 1.317 346 G HN 0.720 nan 8.290 nan 0.000 0.478 347 S N -0.610 115.058 115.700 -0.054 0.000 2.562 347 S HA 0.517 4.988 4.470 0.001 0.000 0.275 347 S C 1.749 176.317 174.600 -0.054 0.000 1.281 347 S CA 0.135 58.304 58.200 -0.051 0.000 1.045 347 S CB 0.686 63.854 63.200 -0.054 0.000 0.962 347 S HN 0.679 nan 8.310 nan 0.000 0.503 348 K N 3.313 123.683 120.400 -0.050 0.000 2.116 348 K HA 0.142 4.463 4.320 0.001 0.000 0.203 348 K C 0.313 176.879 176.600 -0.055 0.000 1.052 348 K CA 0.656 56.915 56.287 -0.046 0.000 0.952 348 K CB -0.112 32.364 32.500 -0.040 0.000 0.729 348 K HN 0.320 nan 8.250 nan 0.000 0.446 349 K N 1.314 121.671 120.400 -0.072 0.000 2.219 349 K HA 0.163 4.484 4.320 0.001 0.000 0.258 349 K C -0.551 175.970 176.600 -0.131 0.000 1.008 349 K CA -0.029 56.201 56.287 -0.095 0.000 0.928 349 K CB 1.193 33.628 32.500 -0.109 0.000 0.983 349 K HN -0.004 nan 8.250 nan 0.000 0.484 350 T N 0.453 114.906 114.554 -0.169 0.000 2.893 350 T HA 0.387 4.738 4.350 0.001 0.000 0.291 350 T C -1.008 173.508 174.700 -0.306 0.000 1.028 350 T CA -0.785 61.154 62.100 -0.267 0.000 0.995 350 T CB 1.657 70.291 68.868 -0.390 0.000 1.051 350 T HN 0.156 nan 8.240 nan 0.000 0.470 351 V N 2.883 122.589 119.914 -0.348 0.000 2.376 351 V HA 0.384 4.505 4.120 0.001 0.000 0.287 351 V C -0.261 175.668 176.094 -0.275 0.000 1.015 351 V CA -0.800 61.264 62.300 -0.393 0.000 0.834 351 V CB 1.520 32.984 31.823 -0.598 0.000 1.001 351 V HN 0.758 nan 8.190 nan 0.000 0.428 352 V N 4.114 123.971 119.914 -0.095 0.000 2.432 352 V HA 0.744 4.865 4.120 0.001 0.000 0.275 352 V C 0.557 176.714 176.094 0.106 0.000 1.043 352 V CA -0.298 62.012 62.300 0.016 0.000 0.925 352 V CB 1.444 33.389 31.823 0.204 0.000 0.985 352 V HN 0.946 nan 8.190 nan 0.000 0.466 353 A N 5.562 128.384 122.820 0.003 0.000 2.291 353 A HA 0.831 5.152 4.320 0.001 0.000 0.311 353 A C -0.844 176.854 177.584 0.190 0.000 1.224 353 A CA -0.411 51.765 52.037 0.231 0.000 0.821 353 A CB 0.373 19.472 19.000 0.165 0.000 1.172 353 A HN 0.619 nan 8.150 nan 0.000 0.494 354 F N 1.799 122.064 119.950 0.525 0.000 2.385 354 F HA 0.522 5.050 4.527 0.001 0.000 0.336 354 F C 0.475 176.558 175.800 0.472 0.000 1.100 354 F CA -0.316 57.965 58.000 0.467 0.000 1.116 354 F CB 1.405 40.705 39.000 0.501 0.000 1.166 354 F HN 0.333 nan 8.300 nan 0.000 0.511 355 I N 3.624 124.523 120.570 0.549 0.000 2.382 355 I HA 0.270 4.441 4.170 0.001 0.000 0.285 355 I C -0.976 175.401 176.117 0.433 0.000 1.007 355 I CA -0.661 60.896 61.300 0.427 0.000 1.142 355 I CB 1.539 39.672 38.000 0.221 0.000 1.289 355 I HN 0.230 nan 8.210 nan 0.000 0.453 356 V N 7.687 127.782 119.914 0.302 0.000 2.235 356 V HA 0.397 4.518 4.120 0.001 0.000 0.266 356 V C 0.014 176.171 176.094 0.104 0.000 1.055 356 V CA -0.148 62.265 62.300 0.187 0.000 0.844 356 V CB 0.308 32.164 31.823 0.055 0.000 1.097 356 V HN 0.667 nan 8.190 nan 0.000 0.453 357 M N 4.927 124.596 119.600 0.115 0.000 2.106 357 M HA 0.434 4.915 4.480 0.001 0.000 0.288 357 M C -2.933 173.345 176.300 -0.037 0.000 0.941 357 M CA -1.644 53.643 55.300 -0.022 0.000 0.934 357 M CB 2.889 35.380 32.600 -0.181 0.000 1.551 357 M HN 0.154 nan 8.290 nan 0.000 0.437 358 P HA 0.235 nan 4.420 nan 0.000 0.267 358 P C -1.015 176.293 177.300 0.012 0.000 1.205 358 P CA 0.119 63.052 63.100 -0.280 0.000 0.765 358 P CB 0.718 32.053 31.700 -0.608 0.000 0.828 359 A N 2.812 125.621 122.820 -0.018 0.000 2.569 359 A HA 0.535 4.856 4.320 0.001 0.000 0.290 359 A C -0.840 176.719 177.584 -0.042 0.000 1.136 359 A CA -0.793 51.305 52.037 0.101 0.000 0.710 359 A CB 1.075 20.281 19.000 0.343 0.000 1.303 359 A HN 0.238 nan 8.150 nan 0.000 0.413 360 K N 1.604 121.992 120.400 -0.021 0.000 2.453 360 K HA 0.122 4.443 4.320 0.001 0.000 0.280 360 K C -0.440 176.122 176.600 -0.062 0.000 1.045 360 K CA 0.625 56.888 56.287 -0.041 0.000 1.059 360 K CB -0.363 32.121 32.500 -0.027 0.000 0.901 360 K HN 0.839 nan 8.250 nan 0.000 0.475 361 N N 0.399 119.050 118.700 -0.082 0.000 2.610 361 N HA 0.228 4.969 4.740 0.001 0.000 0.264 361 N C -0.674 174.804 175.510 -0.054 0.000 1.348 361 N CA -0.837 52.161 53.050 -0.087 0.000 0.819 361 N CB 0.727 39.104 38.487 -0.182 0.000 1.521 361 N HN 0.131 nan 8.380 nan 0.000 0.497 362 N N 0.361 119.041 118.700 -0.034 0.000 2.380 362 N HA 0.206 4.947 4.740 0.001 0.000 0.255 362 N C -0.710 174.775 175.510 -0.042 0.000 1.158 362 N CA 0.113 53.147 53.050 -0.027 0.000 0.878 362 N CB -0.015 38.465 38.487 -0.011 0.000 1.138 362 N HN 0.698 nan 8.380 nan 0.000 0.509 363 S N -0.333 115.323 115.700 -0.074 0.000 3.880 363 S HA -0.200 4.270 4.470 0.001 0.000 0.639 363 S C -0.668 173.716 174.600 -0.359 0.000 1.856 363 S CA -0.492 57.568 58.200 -0.234 0.000 2.023 363 S CB -1.073 62.053 63.200 -0.124 0.000 0.328 363 S HN 0.206 nan 8.310 nan 0.000 1.793 364 F N 2.617 122.409 119.950 -0.264 0.000 2.518 364 F HA 0.359 4.887 4.527 0.002 0.000 0.359 364 F C 1.632 177.346 175.800 -0.144 0.000 1.118 364 F CA 0.558 58.343 58.000 -0.359 0.000 1.287 364 F CB 0.203 39.046 39.000 -0.262 0.000 1.132 364 F HN 0.643 nan 8.300 nan 0.000 0.587 365 T N -0.608 113.990 114.554 0.073 0.000 2.856 365 T HA 0.122 4.473 4.350 0.001 0.000 0.306 365 T C 1.109 175.858 174.700 0.082 0.000 1.062 365 T CA -0.873 61.270 62.100 0.072 0.000 1.083 365 T CB 1.061 69.977 68.868 0.079 0.000 0.984 365 T HN 0.394 nan 8.240 nan 0.000 0.542 366 V N 1.416 121.364 119.914 0.057 0.000 2.295 366 V HA -0.124 3.996 4.120 0.001 0.000 0.246 366 V C 2.871 178.990 176.094 0.042 0.000 1.049 366 V CA 2.364 64.691 62.300 0.044 0.000 1.024 366 V CB -0.948 30.894 31.823 0.031 0.000 0.648 366 V HN 1.084 nan 8.190 nan 0.000 0.447 367 E N -0.218 120.009 120.200 0.046 0.000 2.065 367 E HA -0.300 4.051 4.350 0.001 0.000 0.201 367 E C 2.239 178.872 176.600 0.055 0.000 1.016 367 E CA 1.728 58.154 56.400 0.043 0.000 0.818 367 E CB -0.307 29.412 29.700 0.032 0.000 0.749 367 E HN 0.592 nan 8.360 nan 0.000 0.453 368 A N 0.668 123.544 122.820 0.095 0.000 1.908 368 A HA -0.174 4.146 4.320 0.001 0.000 0.218 368 A C 2.194 179.827 177.584 0.080 0.000 1.181 368 A CA 1.222 53.352 52.037 0.155 0.000 0.627 368 A CB -0.613 18.536 19.000 0.249 0.000 0.818 368 A HN 0.304 nan 8.150 nan 0.000 0.445 369 L N -0.762 120.482 121.223 0.036 0.000 2.156 369 L HA -0.154 4.187 4.340 0.001 0.000 0.208 369 L C 2.639 179.481 176.870 -0.047 0.000 1.095 369 L CA 1.730 56.552 54.840 -0.030 0.000 0.770 369 L CB -0.360 41.685 42.059 -0.023 0.000 0.914 369 L HN 0.550 nan 8.230 nan 0.000 0.439 370 K N 0.526 120.904 120.400 -0.036 0.000 2.025 370 K HA -0.126 4.194 4.320 0.001 0.000 0.207 370 K C 2.037 178.534 176.600 -0.171 0.000 1.049 370 K CA 1.435 57.679 56.287 -0.072 0.000 0.933 370 K CB -0.368 32.109 32.500 -0.038 0.000 0.714 370 K HN 0.236 nan 8.250 nan 0.000 0.438 371 G N 1.011 109.692 108.800 -0.199 0.000 2.475 371 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 371 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 371 G C 1.404 176.119 174.900 -0.308 0.000 1.125 371 G CA 0.574 45.387 45.100 -0.479 0.000 0.755 371 G HN 0.357 nan 8.290 nan 0.000 0.565 372 Q N 0.345 120.059 119.800 -0.143 0.000 2.096 372 Q HA 0.125 4.466 4.340 0.001 0.000 0.197 372 Q C 2.940 178.875 176.000 -0.108 0.000 0.964 372 Q CA 1.218 56.963 55.803 -0.096 0.000 0.838 372 Q CB -0.701 28.012 28.738 -0.041 0.000 0.906 372 Q HN 0.448 nan 8.270 nan 0.000 0.444 373 A N 1.451 124.205 122.820 -0.111 0.000 1.969 373 A HA -0.149 4.172 4.320 0.001 0.000 0.218 373 A C 1.916 179.443 177.584 -0.096 0.000 1.169 373 A CA 1.146 53.130 52.037 -0.088 0.000 0.635 373 A CB -0.105 18.851 19.000 -0.073 0.000 0.810 373 A HN 0.185 nan 8.150 nan 0.000 0.445 374 E N -0.292 119.821 120.200 -0.146 0.000 2.230 374 E HA -0.020 4.331 4.350 0.001 0.000 0.192 374 E C 1.917 178.448 176.600 -0.115 0.000 0.987 374 E CA 0.977 57.296 56.400 -0.136 0.000 0.841 374 E CB -0.177 29.410 29.700 -0.189 0.000 0.783 374 E HN 0.430 nan 8.360 nan 0.000 0.481 375 V N 0.910 120.742 119.914 -0.137 0.000 3.129 375 V HA -0.079 4.041 4.120 0.001 0.000 0.259 375 V C 2.216 178.281 176.094 -0.048 0.000 1.116 375 V CA 0.900 63.152 62.300 -0.080 0.000 1.127 375 V CB -0.345 31.428 31.823 -0.082 0.000 0.742 375 V HN 0.017 nan 8.190 nan 0.000 0.474 376 R N 1.010 121.478 120.500 -0.053 0.000 2.073 376 R HA 0.067 4.408 4.340 0.001 0.000 0.229 376 R C 2.379 178.663 176.300 -0.027 0.000 1.120 376 R CA 1.495 57.573 56.100 -0.037 0.000 0.967 376 R CB -0.864 29.412 30.300 -0.041 0.000 0.862 376 R HN 0.460 nan 8.270 nan 0.000 0.436 377 A N 0.420 123.221 122.820 -0.031 0.000 1.972 377 A HA -0.151 4.170 4.320 0.001 0.000 0.219 377 A C 1.983 179.564 177.584 -0.005 0.000 1.169 377 A CA 1.290 53.316 52.037 -0.018 0.000 0.635 377 A CB -0.567 18.419 19.000 -0.023 0.000 0.810 377 A HN 0.299 nan 8.150 nan 0.000 0.446 378 L N -0.133 121.085 121.223 -0.008 0.000 2.093 378 L HA -0.111 4.229 4.340 0.001 0.000 0.208 378 L C 2.099 178.981 176.870 0.020 0.000 1.085 378 L CA 2.301 57.146 54.840 0.007 0.000 0.755 378 L CB -0.483 41.581 42.059 0.008 0.000 0.904 378 L HN 0.501 nan 8.230 nan 0.000 0.435 379 E N -0.791 119.417 120.200 0.014 0.000 2.107 379 E HA -0.166 4.185 4.350 0.001 0.000 0.191 379 E C 1.771 178.397 176.600 0.043 0.000 0.982 379 E CA 1.053 57.468 56.400 0.025 0.000 0.809 379 E CB -0.050 29.652 29.700 0.005 0.000 0.756 379 E HN 0.495 nan 8.360 nan 0.000 0.459 380 N N -0.278 118.438 118.700 0.027 0.000 2.270 380 N HA -0.070 4.671 4.740 0.001 0.000 0.181 380 N C 1.588 177.147 175.510 0.081 0.000 1.016 380 N CA 1.176 54.253 53.050 0.044 0.000 0.870 380 N CB -0.147 38.348 38.487 0.013 0.000 0.979 380 N HN 0.034 nan 8.380 nan 0.000 0.431 381 T N -0.229 114.356 114.554 0.053 0.000 2.851 381 T HA 0.029 4.380 4.350 0.001 0.000 0.262 381 T C 2.046 176.774 174.700 0.047 0.000 1.043 381 T CA 0.549 62.675 62.100 0.043 0.000 1.140 381 T CB -0.234 68.649 68.868 0.025 0.000 0.872 381 T HN -0.061 nan 8.240 nan 0.000 0.446 382 V N 1.302 121.247 119.914 0.053 0.000 2.469 382 V HA -0.207 3.914 4.120 0.001 0.000 0.251 382 V C 2.262 178.392 176.094 0.061 0.000 1.064 382 V CA 1.913 64.241 62.300 0.047 0.000 1.066 382 V CB -0.715 31.137 31.823 0.047 0.000 0.667 382 V HN 0.562 nan 8.190 nan 0.000 0.461 383 H N 0.587 119.657 119.070 0.001 0.000 2.326 383 H HA -0.132 4.424 4.556 0.001 0.000 0.301 383 H C 2.299 177.626 175.328 -0.002 0.000 1.081 383 H CA 2.221 58.268 56.048 -0.001 0.000 1.334 383 H CB 0.033 29.794 29.762 -0.003 0.000 1.385 383 H HN 0.511 nan 8.280 nan 0.000 0.504 384 E N -0.412 119.804 120.200 0.026 0.000 2.023 384 E HA -0.181 4.170 4.350 0.001 0.000 0.196 384 E C 2.437 178.994 176.600 -0.072 0.000 1.003 384 E CA 1.525 57.906 56.400 -0.031 0.000 0.809 384 E CB -0.201 29.513 29.700 0.023 0.000 0.755 384 E HN 0.242 nan 8.360 nan 0.000 0.449 385 V N 1.407 121.299 119.914 -0.036 0.000 2.252 385 V HA -0.327 3.793 4.120 0.001 0.000 0.249 385 V C 2.842 178.902 176.094 -0.057 0.000 1.056 385 V CA 2.391 64.671 62.300 -0.033 0.000 1.022 385 V CB -1.018 30.797 31.823 -0.013 0.000 0.641 385 V HN 0.584 nan 8.190 nan 0.000 0.445 386 T N -1.705 112.803 114.554 -0.077 0.000 2.737 386 T HA -0.240 4.111 4.350 0.001 0.000 0.265 386 T C 1.991 176.621 174.700 -0.116 0.000 1.038 386 T CA 2.348 64.399 62.100 -0.083 0.000 1.144 386 T CB -0.865 67.963 68.868 -0.066 0.000 0.866 386 T HN 0.619 nan 8.240 nan 0.000 0.434 387 T N -0.282 114.147 114.554 -0.208 0.000 2.833 387 T HA -0.065 4.286 4.350 0.001 0.000 0.269 387 T C 2.322 176.963 174.700 -0.099 0.000 1.054 387 T CA 1.746 63.736 62.100 -0.184 0.000 1.135 387 T CB -1.017 67.690 68.868 -0.268 0.000 0.869 387 T HN 0.364 nan 8.240 nan 0.000 0.466 388 S N 0.758 116.410 115.700 -0.080 0.000 2.368 388 S HA 0.035 4.506 4.470 0.001 0.000 0.225 388 S C 1.885 176.473 174.600 -0.020 0.000 1.030 388 S CA 1.356 59.532 58.200 -0.039 0.000 0.999 388 S CB -0.520 62.662 63.200 -0.029 0.000 0.844 388 S HN 0.603 nan 8.310 nan 0.000 0.459 389 I N 1.017 121.571 120.570 -0.027 0.000 2.208 389 I HA -0.158 4.013 4.170 0.001 0.000 0.245 389 I C 2.591 178.710 176.117 0.002 0.000 1.097 389 I CA 1.145 62.437 61.300 -0.014 0.000 1.363 389 I CB -0.803 37.185 38.000 -0.020 0.000 1.051 389 I HN 0.367 nan 8.210 nan 0.000 0.413 390 G N 0.730 109.525 108.800 -0.008 0.000 2.459 390 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 390 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 390 G C 1.725 176.657 174.900 0.053 0.000 1.183 390 G CA 0.653 45.762 45.100 0.014 0.000 0.776 390 G HN 0.273 nan 8.290 nan 0.000 0.552 391 K N 0.012 120.425 120.400 0.022 0.000 2.074 391 K HA -0.092 4.229 4.320 0.001 0.000 0.209 391 K C 2.750 179.418 176.600 0.114 0.000 1.048 391 K CA 1.144 57.463 56.287 0.053 0.000 0.926 391 K CB -0.162 32.346 32.500 0.014 0.000 0.713 391 K HN 0.209 nan 8.250 nan 0.000 0.444 392 R N 0.293 120.839 120.500 0.076 0.000 2.115 392 R HA 0.027 4.368 4.340 0.001 0.000 0.226 392 R C 2.330 178.690 176.300 0.100 0.000 1.100 392 R CA 0.770 56.918 56.100 0.080 0.000 0.980 392 R CB -0.138 30.184 30.300 0.038 0.000 0.875 392 R HN 0.204 nan 8.270 nan 0.000 0.445 393 I N -0.045 120.578 120.570 0.089 0.000 2.252 393 I HA -0.274 3.897 4.170 0.001 0.000 0.245 393 I C 2.132 178.340 176.117 0.151 0.000 1.102 393 I CA 1.262 62.613 61.300 0.085 0.000 1.385 393 I CB -0.238 37.797 38.000 0.059 0.000 1.064 393 I HN 0.078 nan 8.210 nan 0.000 0.414 394 F N 2.089 122.064 119.950 0.041 0.000 2.084 394 F HA -0.243 4.285 4.527 0.001 0.000 0.296 394 F C 1.862 177.695 175.800 0.054 0.000 1.111 394 F CA 1.855 59.877 58.000 0.038 0.000 1.224 394 F CB -0.278 38.732 39.000 0.018 0.000 0.991 394 F HN 0.004 nan 8.300 nan 0.000 0.471 395 D N -1.563 118.992 120.400 0.259 0.000 2.403 395 D HA -0.174 4.467 4.640 0.001 0.000 0.227 395 D C 1.914 178.260 176.300 0.076 0.000 0.995 395 D CA 0.810 54.903 54.000 0.155 0.000 0.928 395 D CB -0.166 40.737 40.800 0.172 0.000 0.887 395 D HN 0.442 nan 8.370 nan 0.000 0.529 396 H N -0.649 118.407 119.070 -0.023 0.000 2.406 396 H HA 0.236 4.792 4.556 0.001 0.000 0.304 396 H C 1.959 177.249 175.328 -0.064 0.000 1.042 396 H CA 0.998 57.038 56.048 -0.014 0.000 1.360 396 H CB 0.207 29.966 29.762 -0.006 0.000 1.448 396 H HN 0.103 nan 8.280 nan 0.000 0.553 397 A N 1.298 124.049 122.820 -0.116 0.000 1.902 397 A HA -0.113 4.208 4.320 0.001 0.000 0.217 397 A C 2.391 179.791 177.584 -0.306 0.000 1.181 397 A CA 1.451 53.334 52.037 -0.257 0.000 0.623 397 A CB -0.703 18.169 19.000 -0.213 0.000 0.818 397 A HN 0.418 nan 8.150 nan 0.000 0.443 398 I N -1.170 119.146 120.570 -0.423 0.000 2.353 398 I HA -0.052 4.119 4.170 0.001 0.000 0.248 398 I C 1.975 178.002 176.117 -0.151 0.000 1.119 398 I CA 1.164 62.252 61.300 -0.353 0.000 1.417 398 I CB -0.108 37.575 38.000 -0.528 0.000 1.078 398 I HN 0.123 nan 8.210 nan 0.000 0.421 399 R N -0.530 119.897 120.500 -0.122 0.000 2.328 399 R HA 0.004 4.345 4.340 0.001 0.000 0.200 399 R C -0.368 175.910 176.300 -0.038 0.000 0.983 399 R CA -0.014 56.048 56.100 -0.063 0.000 1.062 399 R CB -1.007 29.263 30.300 -0.049 0.000 0.956 399 R HN 0.235 nan 8.270 nan 0.000 0.479 400 Y N 0.700 120.872 120.300 -0.213 0.000 2.411 400 Y HA 0.199 4.749 4.550 0.001 0.000 0.333 400 Y C -1.344 174.485 175.900 -0.119 0.000 1.186 400 Y CA -2.462 55.525 58.100 -0.189 0.000 1.381 400 Y CB 0.241 38.584 38.460 -0.194 0.000 1.273 400 Y HN 0.150 nan 8.280 nan 0.000 0.546 415 E N 1.337 121.524 120.200 -0.021 0.000 2.332 415 E HA -0.178 4.173 4.350 0.001 0.000 0.162 415 E C 0.630 177.217 176.600 -0.021 0.000 1.637 415 E CA 0.149 56.539 56.400 -0.017 0.000 0.654 415 E CB -0.474 29.219 29.700 -0.012 0.000 1.072 415 E HN 0.560 nan 8.360 nan 0.000 0.336 416 L N 2.132 123.340 121.223 -0.026 0.000 2.478 416 L HA 0.073 4.414 4.340 0.001 0.000 0.223 416 L C 1.084 177.944 176.870 -0.017 0.000 1.140 416 L CA 0.347 55.171 54.840 -0.027 0.000 0.842 416 L CB 0.145 42.183 42.059 -0.034 0.000 0.953 416 L HN 0.378 nan 8.230 nan 0.000 0.452 417 L N 1.989 123.204 121.223 -0.014 0.000 2.295 417 L HA 0.133 4.474 4.340 0.001 0.000 0.288 417 L C 0.449 177.315 176.870 -0.007 0.000 1.079 417 L CA -0.238 54.596 54.840 -0.010 0.000 0.830 417 L CB 0.540 42.594 42.059 -0.008 0.000 1.200 417 L HN 0.153 nan 8.230 nan 0.000 0.438 418 K N 1.028 121.426 120.400 -0.004 0.000 2.230 418 K HA 0.125 4.446 4.320 0.001 0.000 0.253 418 K C 1.129 177.728 176.600 -0.001 0.000 1.008 418 K CA -0.080 56.206 56.287 -0.002 0.000 0.910 418 K CB 0.576 33.077 32.500 0.000 0.000 0.994 418 K HN 0.546 nan 8.250 nan 0.000 0.495 419 S N 0.169 115.868 115.700 -0.000 0.000 2.419 419 S HA -0.212 4.258 4.470 0.001 0.000 0.233 419 S C 2.105 176.705 174.600 0.001 0.000 1.016 419 S CA 1.323 59.523 58.200 0.000 0.000 0.974 419 S CB -0.339 62.861 63.200 0.001 0.000 0.786 419 S HN 0.690 nan 8.310 nan 0.000 0.492 420 S N 2.032 117.733 115.700 0.001 0.000 2.359 420 S HA -0.200 4.270 4.470 0.001 0.000 0.223 420 S C 1.607 176.208 174.600 0.002 0.000 1.039 420 S CA 1.802 60.003 58.200 0.002 0.000 1.042 420 S CB -0.814 62.387 63.200 0.002 0.000 0.915 420 S HN 0.602 nan 8.310 nan 0.000 0.439 421 D N 0.733 121.133 120.400 0.001 0.000 2.117 421 D HA -0.045 4.596 4.640 0.001 0.000 0.198 421 D C 2.096 178.396 176.300 0.001 0.000 0.982 421 D CA 0.957 54.957 54.000 0.000 0.000 0.828 421 D CB -0.306 40.492 40.800 -0.003 0.000 0.967 421 D HN 0.448 nan 8.370 nan 0.000 0.464 422 K N 0.552 120.952 120.400 0.001 0.000 2.074 422 K HA -0.116 4.205 4.320 0.001 0.000 0.209 422 K C 2.196 178.798 176.600 0.003 0.000 1.048 422 K CA 0.565 56.853 56.287 0.002 0.000 0.926 422 K CB -0.257 32.244 32.500 0.001 0.000 0.713 422 K HN -0.030 nan 8.250 nan 0.000 0.444 423 V N 2.568 122.484 119.914 0.003 0.000 2.231 423 V HA -0.347 3.774 4.120 0.001 0.000 0.248 423 V C 2.393 178.490 176.094 0.005 0.000 1.054 423 V CA 2.370 64.672 62.300 0.004 0.000 1.015 423 V CB -0.456 31.369 31.823 0.003 0.000 0.638 423 V HN 0.451 nan 8.190 nan 0.000 0.444 424 M N -1.482 118.121 119.600 0.005 0.000 2.132 424 M HA -0.136 4.345 4.480 0.001 0.000 0.263 424 M C 2.236 178.541 176.300 0.008 0.000 1.065 424 M CA 2.012 57.315 55.300 0.006 0.000 1.122 424 M CB -0.824 31.780 32.600 0.007 0.000 1.365 424 M HN 0.189 nan 8.290 nan 0.000 0.411 425 L N 0.577 121.805 121.223 0.008 0.000 2.042 425 L HA -0.197 4.144 4.340 0.001 0.000 0.210 425 L C 2.816 179.693 176.870 0.011 0.000 1.076 425 L CA 1.655 56.501 54.840 0.010 0.000 0.749 425 L CB -0.525 41.538 42.059 0.008 0.000 0.893 425 L HN 0.423 nan 8.230 nan 0.000 0.432 426 K N -0.266 120.139 120.400 0.009 0.000 2.026 426 K HA -0.239 4.082 4.320 0.001 0.000 0.208 426 K C 2.252 178.858 176.600 0.011 0.000 1.048 426 K CA 1.431 57.723 56.287 0.009 0.000 0.929 426 K CB -0.057 32.447 32.500 0.007 0.000 0.713 426 K HN 0.096 nan 8.250 nan 0.000 0.439 427 R N 0.487 120.993 120.500 0.009 0.000 2.091 427 R HA -0.107 4.234 4.340 0.001 0.000 0.238 427 R C 2.167 178.473 176.300 0.010 0.000 1.136 427 R CA 1.368 57.474 56.100 0.009 0.000 0.959 427 R CB 0.055 30.358 30.300 0.006 0.000 0.856 427 R HN 0.049 nan 8.270 nan 0.000 0.437 428 R N 0.380 120.886 120.500 0.010 0.000 2.075 428 R HA -0.076 4.265 4.340 0.001 0.000 0.232 428 R C 2.299 178.610 176.300 0.018 0.000 1.126 428 R CA 1.379 57.485 56.100 0.010 0.000 0.963 428 R CB -0.517 29.788 30.300 0.009 0.000 0.858 428 R HN 0.389 nan 8.270 nan 0.000 0.435 429 I N 0.940 121.523 120.570 0.022 0.000 2.252 429 I HA -0.248 3.923 4.170 0.001 0.000 0.245 429 I C 2.278 178.416 176.117 0.035 0.000 1.102 429 I CA 1.104 62.423 61.300 0.031 0.000 1.385 429 I CB -0.329 37.687 38.000 0.026 0.000 1.064 429 I HN 0.057 nan 8.210 nan 0.000 0.414 430 L N 0.691 121.930 121.223 0.026 0.000 2.201 430 L HA -0.145 4.196 4.340 0.001 0.000 0.212 430 L C 2.724 179.614 176.870 0.033 0.000 1.105 430 L CA 1.011 55.866 54.840 0.026 0.000 0.775 430 L CB -0.611 41.459 42.059 0.018 0.000 0.913 430 L HN 0.231 nan 8.230 nan 0.000 0.440 431 A N -0.372 122.467 122.820 0.030 0.000 2.119 431 A HA -0.043 4.278 4.320 0.001 0.000 0.217 431 A C 2.085 179.712 177.584 0.071 0.000 1.153 431 A CA 0.775 52.831 52.037 0.033 0.000 0.692 431 A CB -0.423 18.581 19.000 0.008 0.000 0.799 431 A HN 0.387 nan 8.150 nan 0.000 0.458 432 L N -0.673 120.608 121.223 0.096 0.000 2.610 432 L HA 0.044 4.385 4.340 0.001 0.000 0.232 432 L C 1.330 178.328 176.870 0.214 0.000 1.149 432 L CA -0.057 54.911 54.840 0.213 0.000 0.872 432 L CB -0.294 41.861 42.059 0.159 0.000 0.992 432 L HN 0.359 nan 8.230 nan 0.000 0.447 433 R N 1.250 121.813 120.500 0.105 0.000 2.449 433 R HA 0.054 4.395 4.340 0.001 0.000 0.296 433 R C -0.034 176.268 176.300 0.002 0.000 1.047 433 R CA -0.498 55.626 56.100 0.040 0.000 1.018 433 R CB 0.510 30.827 30.300 0.029 0.000 0.962 433 R HN -0.041 nan 8.270 nan 0.000 0.428 434 R N 4.970 125.432 120.500 -0.064 0.000 2.389 434 R HA 0.200 4.540 4.340 0.001 0.000 0.295 434 R C -2.123 174.148 176.300 -0.048 0.000 1.075 434 R CA -2.385 53.654 56.100 -0.101 0.000 1.005 434 R CB 0.280 30.498 30.300 -0.136 0.000 0.987 434 R HN 0.571 nan 8.270 nan 0.000 0.452 435 P HA -0.073 nan 4.420 nan 0.000 0.264 435 P C -0.512 176.770 177.300 -0.030 0.000 1.179 435 P CA 0.049 63.133 63.100 -0.025 0.000 0.763 435 P CB 0.390 32.076 31.700 -0.023 0.000 0.806 436 E N 1.829 122.017 120.200 -0.021 0.000 2.868 436 E HA 0.116 4.467 4.350 0.001 0.000 0.246 436 E C 1.459 178.044 176.600 -0.025 0.000 0.962 436 E CA 1.830 58.218 56.400 -0.020 0.000 0.955 436 E CB -0.793 28.898 29.700 -0.015 0.000 0.903 436 E HN 0.716 nan 8.360 nan 0.000 0.524 437 G N 3.228 112.012 108.800 -0.025 0.000 2.168 437 G HA2 -0.411 3.550 3.960 0.001 0.000 0.263 437 G HA3 -0.411 3.550 3.960 0.001 0.000 0.263 437 G C 0.235 175.112 174.900 -0.038 0.000 0.977 437 G CA 0.598 45.682 45.100 -0.028 0.000 0.659 437 G HN 0.625 nan 8.290 nan 0.000 0.533 438 Q N -0.043 119.729 119.800 -0.046 0.000 2.327 438 Q HA 0.638 4.979 4.340 0.001 0.000 0.254 438 Q C 0.043 176.003 176.000 -0.067 0.000 0.952 438 Q CA -0.498 55.270 55.803 -0.058 0.000 0.884 438 Q CB 0.452 29.152 28.738 -0.062 0.000 1.224 438 Q HN 0.429 nan 8.270 nan 0.000 0.422 439 L N 4.915 126.101 121.223 -0.062 0.000 2.334 439 L HA 0.532 4.873 4.340 0.001 0.000 0.273 439 L C -2.150 174.653 176.870 -0.112 0.000 1.013 439 L CA -2.676 52.132 54.840 -0.053 0.000 0.816 439 L CB 1.796 43.860 42.059 0.009 0.000 1.278 439 L HN 0.661 nan 8.230 nan 0.000 0.431 440 P HA 0.089 nan 4.420 nan 0.000 0.264 440 P C -2.420 174.745 177.300 -0.224 0.000 1.193 440 P CA -0.660 62.176 63.100 -0.440 0.000 0.763 440 P CB -0.087 31.126 31.700 -0.811 0.000 0.810 441 P HA -0.009 nan 4.420 nan 0.000 0.270 441 P C 0.756 178.203 177.300 0.245 0.000 1.221 441 P CA 0.279 63.438 63.100 0.098 0.000 0.788 441 P CB 0.233 32.034 31.700 0.168 0.000 0.904 442 I N -2.173 118.537 120.570 0.234 0.000 4.018 442 I HA 0.250 4.421 4.170 0.001 0.000 0.337 442 I C -0.490 175.785 176.117 0.264 0.000 1.327 442 I CA -0.044 61.393 61.300 0.229 0.000 1.100 442 I CB 0.250 38.347 38.000 0.162 0.000 1.025 442 I HN -0.138 nan 8.210 nan 0.000 0.396 443 V N 0.247 120.312 119.914 0.251 0.000 2.925 443 V HA 0.339 4.460 4.120 0.001 0.000 0.311 443 V C 0.999 177.223 176.094 0.218 0.000 1.104 443 V CA -0.044 62.374 62.300 0.196 0.000 0.954 443 V CB 1.536 33.437 31.823 0.130 0.000 1.022 443 V HN 0.273 nan 8.190 nan 0.000 0.427 444 T N -2.358 112.318 114.554 0.204 0.000 3.060 444 T HA 0.269 4.620 4.350 0.001 0.000 0.249 444 T C 0.486 175.231 174.700 0.076 0.000 1.079 444 T CA 0.477 62.731 62.100 0.257 0.000 1.013 444 T CB -0.204 68.884 68.868 0.367 0.000 0.975 444 T HN 0.715 nan 8.240 nan 0.000 0.518 445 H N 1.046 120.067 119.070 -0.082 0.000 2.771 445 H HA 0.404 4.961 4.556 0.002 0.000 0.367 445 H C -0.521 174.752 175.328 -0.091 0.000 1.172 445 H CA -1.126 54.827 56.048 -0.158 0.000 1.186 445 H CB 1.325 30.875 29.762 -0.355 0.000 1.790 445 H HN 0.070 nan 8.280 nan 0.000 0.556 446 N N 2.263 120.984 118.700 0.035 0.000 2.420 446 N HA 0.035 4.775 4.740 0.001 0.000 0.262 446 N C 0.129 175.644 175.510 0.008 0.000 1.144 446 N CA -0.083 52.981 53.050 0.024 0.000 0.952 446 N CB 0.618 39.113 38.487 0.013 0.000 1.081 446 N HN 0.306 nan 8.380 nan 0.000 0.480 447 M N 1.593 121.200 119.600 0.012 0.000 2.243 447 M HA 0.053 4.533 4.480 0.001 0.000 0.341 447 M C 1.554 177.859 176.300 0.008 0.000 1.130 447 M CA -0.177 55.125 55.300 0.005 0.000 1.162 447 M CB 0.920 33.546 32.600 0.043 0.000 1.497 447 M HN 0.195 nan 8.290 nan 0.000 0.456 448 V N 0.894 120.808 119.914 0.000 0.000 2.725 448 V HA -0.072 4.049 4.120 0.001 0.000 0.247 448 V C 0.547 176.645 176.094 0.006 0.000 1.058 448 V CA 1.452 63.751 62.300 -0.001 0.000 1.080 448 V CB -0.104 31.712 31.823 -0.011 0.000 0.713 448 V HN 0.836 nan 8.190 nan 0.000 0.465 449 D N -0.712 119.696 120.400 0.014 0.000 2.634 449 D HA 0.111 4.752 4.640 0.001 0.000 0.318 449 D C 1.000 177.321 176.300 0.035 0.000 1.226 449 D CA -0.117 53.892 54.000 0.015 0.000 0.899 449 D CB 0.154 40.952 40.800 -0.003 0.000 1.025 449 D HN 0.074 nan 8.370 nan 0.000 0.501 450 D N 0.959 121.384 120.400 0.041 0.000 2.190 450 D HA -0.176 4.465 4.640 0.001 0.000 0.200 450 D C 1.561 177.896 176.300 0.058 0.000 0.992 450 D CA 1.119 55.155 54.000 0.060 0.000 0.854 450 D CB 0.464 41.297 40.800 0.055 0.000 0.936 450 D HN 0.449 nan 8.370 nan 0.000 0.462 451 A N 0.187 123.030 122.820 0.038 0.000 1.935 451 A HA -0.055 4.266 4.320 0.001 0.000 0.214 451 A C 1.995 179.592 177.584 0.022 0.000 1.178 451 A CA 0.819 52.876 52.037 0.032 0.000 0.640 451 A CB -0.085 18.929 19.000 0.023 0.000 0.825 451 A HN 0.170 nan 8.150 nan 0.000 0.447 452 N N 0.007 118.712 118.700 0.009 0.000 2.356 452 N HA -0.002 4.739 4.740 0.001 0.000 0.178 452 N C -0.367 175.125 175.510 -0.031 0.000 1.075 452 N CA 0.134 53.176 53.050 -0.014 0.000 0.889 452 N CB -0.162 38.310 38.487 -0.024 0.000 0.999 452 N HN 0.501 nan 8.380 nan 0.000 0.464 453 D N 1.087 121.491 120.400 0.007 0.000 2.662 453 D HA -0.092 4.549 4.640 0.001 0.000 0.237 453 D C 1.432 177.715 176.300 -0.028 0.000 1.154 453 D CA 0.095 54.117 54.000 0.036 0.000 0.861 453 D CB 0.592 41.487 40.800 0.159 0.000 1.146 453 D HN 0.054 nan 8.370 nan 0.000 0.518 454 L N 4.510 125.650 121.223 -0.139 0.000 2.079 454 L HA -0.213 4.128 4.340 0.001 0.000 0.210 454 L C 2.120 178.754 176.870 -0.393 0.000 1.081 454 L CA 0.605 55.165 54.840 -0.467 0.000 0.752 454 L CB -0.383 41.113 42.059 -0.938 0.000 0.896 454 L HN 0.674 nan 8.230 nan 0.000 0.433 455 I N -0.388 120.132 120.570 -0.082 0.000 2.163 455 I HA -0.263 3.908 4.170 0.001 0.000 0.240 455 I C 2.535 178.604 176.117 -0.080 0.000 1.081 455 I CA 1.539 62.767 61.300 -0.121 0.000 1.353 455 I CB -0.707 36.936 38.000 -0.595 0.000 1.054 455 I HN 0.262 nan 8.210 nan 0.000 0.407 456 L N 0.727 121.967 121.223 0.028 0.000 1.971 456 L HA -0.273 4.068 4.340 0.001 0.000 0.215 456 L C 2.331 179.220 176.870 0.031 0.000 1.072 456 L CA 1.587 56.478 54.840 0.084 0.000 0.758 456 L CB -0.865 41.292 42.059 0.163 0.000 0.889 456 L HN 0.322 nan 8.230 nan 0.000 0.433 457 N N -0.222 118.485 118.700 0.012 0.000 2.272 457 N HA -0.191 4.550 4.740 0.001 0.000 0.185 457 N C 1.777 177.287 175.510 -0.001 0.000 1.014 457 N CA 0.988 54.042 53.050 0.007 0.000 0.870 457 N CB -0.176 38.301 38.487 -0.016 0.000 0.975 457 N HN 0.249 nan 8.380 nan 0.000 0.433 458 K N 1.500 121.895 120.400 -0.007 0.000 2.116 458 K HA 0.057 4.377 4.320 0.001 0.000 0.203 458 K C 1.955 178.537 176.600 -0.030 0.000 1.052 458 K CA 0.329 56.633 56.287 0.028 0.000 0.952 458 K CB 0.062 32.649 32.500 0.144 0.000 0.729 458 K HN 0.308 nan 8.250 nan 0.000 0.446 459 I N -2.375 118.151 120.570 -0.073 0.000 2.617 459 I HA -0.104 4.067 4.170 0.001 0.000 0.256 459 I C 2.043 177.968 176.117 -0.320 0.000 1.167 459 I CA 0.594 61.788 61.300 -0.176 0.000 1.469 459 I CB -0.353 37.545 38.000 -0.169 0.000 1.098 459 I HN -0.064 nan 8.210 nan 0.000 0.436 460 R N 1.053 121.442 120.500 -0.186 0.000 2.070 460 R HA -0.165 4.176 4.340 0.001 0.000 0.233 460 R C 2.532 178.836 176.300 0.007 0.000 1.137 460 R CA 1.796 57.852 56.100 -0.073 0.000 0.945 460 R CB -0.487 29.897 30.300 0.141 0.000 0.845 460 R HN 0.464 nan 8.270 nan 0.000 0.430 461 Q N 1.088 120.894 119.800 0.010 0.000 2.226 461 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 461 Q C 1.702 177.710 176.000 0.014 0.000 0.975 461 Q CA 1.899 57.722 55.803 0.034 0.000 0.866 461 Q CB 0.251 29.007 28.738 0.029 0.000 0.915 461 Q HN 0.393 nan 8.270 nan 0.000 0.440 462 V N -2.760 117.128 119.914 -0.044 0.000 3.650 462 V HA 0.134 4.255 4.120 0.001 0.000 0.271 462 V C 0.361 176.422 176.094 -0.056 0.000 1.281 462 V CA 0.396 62.670 62.300 -0.043 0.000 1.120 462 V CB -0.239 31.545 31.823 -0.065 0.000 0.856 462 V HN 0.325 nan 8.190 nan 0.000 0.443 463 Q N 0.322 120.040 119.800 -0.137 0.000 2.460 463 Q HA -0.171 4.170 4.340 0.001 0.000 0.311 463 Q C -0.185 175.716 176.000 -0.164 0.000 1.396 463 Q CA 0.583 56.319 55.803 -0.112 0.000 0.838 463 Q CB -1.778 27.143 28.738 0.305 0.000 1.140 463 Q HN 0.670 nan 8.270 nan 0.000 0.415 464 L N 0.869 121.863 121.223 -0.380 0.000 2.422 464 L HA 0.200 4.540 4.340 0.001 0.000 0.256 464 L C 0.431 177.135 176.870 -0.276 0.000 1.202 464 L CA -0.098 54.612 54.840 -0.218 0.000 1.119 464 L CB -0.105 41.846 42.059 -0.181 0.000 1.383 464 L HN 0.255 nan 8.230 nan 0.000 0.411 465 F N 0.556 120.529 119.950 0.038 0.000 2.664 465 F HA 0.189 4.716 4.527 0.001 0.000 0.303 465 F C 0.908 176.738 175.800 0.050 0.000 1.092 465 F CA -0.287 57.739 58.000 0.043 0.000 1.305 465 F CB 0.021 39.041 39.000 0.032 0.000 1.054 465 F HN 0.470 nan 8.300 nan 0.000 0.565 466 N N -0.256 118.562 118.700 0.196 0.000 2.921 466 N HA -0.169 4.572 4.740 0.001 0.000 0.248 466 N C -0.225 175.399 175.510 0.190 0.000 1.118 466 N CA 0.638 53.808 53.050 0.200 0.000 0.740 466 N CB -1.629 36.974 38.487 0.193 0.000 1.091 466 N HN 0.109 nan 8.380 nan 0.000 0.553 467 S N 0.622 116.415 115.700 0.155 0.000 2.589 467 S HA 0.236 4.706 4.470 0.001 0.000 0.265 467 S C -1.139 173.535 174.600 0.122 0.000 1.342 467 S CA -0.707 57.566 58.200 0.122 0.000 1.005 467 S CB 0.903 64.161 63.200 0.097 0.000 0.909 467 S HN 0.066 nan 8.310 nan 0.000 0.555 468 P HA 0.040 nan 4.420 nan 0.000 0.229 468 P C 0.967 178.304 177.300 0.061 0.000 1.160 468 P CA 0.581 63.752 63.100 0.117 0.000 0.777 468 P CB 0.004 31.771 31.700 0.111 0.000 0.814 469 S N -0.784 114.941 115.700 0.043 0.000 2.355 469 S HA -0.079 4.392 4.470 0.001 0.000 0.222 469 S C 0.698 175.294 174.600 -0.006 0.000 1.031 469 S CA 0.881 59.089 58.200 0.013 0.000 0.993 469 S CB -1.175 62.033 63.200 0.014 0.000 0.859 469 S HN 0.189 nan 8.310 nan 0.000 0.453 470 D N 1.443 121.847 120.400 0.008 0.000 2.520 470 D HA 0.107 4.748 4.640 0.001 0.000 0.243 470 D C 0.772 177.029 176.300 -0.072 0.000 1.160 470 D CA 0.300 54.291 54.000 -0.015 0.000 0.877 470 D CB 0.497 41.307 40.800 0.018 0.000 1.150 470 D HN 0.028 nan 8.370 nan 0.000 0.494 471 R N 1.287 121.729 120.500 -0.097 0.000 2.317 471 R HA 0.093 4.434 4.340 0.001 0.000 0.208 471 R C -0.362 175.819 176.300 -0.198 0.000 0.914 471 R CA 0.170 56.179 56.100 -0.151 0.000 1.060 471 R CB 0.437 30.665 30.300 -0.120 0.000 1.015 471 R HN 0.298 nan 8.270 nan 0.000 0.498 472 V N 0.740 120.557 119.914 -0.161 0.000 2.349 472 V HA 0.475 4.596 4.120 0.001 0.000 0.284 472 V C -0.446 175.572 176.094 -0.127 0.000 1.014 472 V CA -1.435 60.756 62.300 -0.181 0.000 0.826 472 V CB 1.473 33.197 31.823 -0.165 0.000 1.009 472 V HN -0.107 nan 8.190 nan 0.000 0.431 473 K N 3.575 123.896 120.400 -0.131 0.000 2.138 473 K HA 0.695 5.016 4.320 0.001 0.000 0.251 473 K C -0.634 175.978 176.600 0.020 0.000 1.015 473 K CA -0.614 55.684 56.287 0.019 0.000 0.917 473 K CB 1.526 34.096 32.500 0.117 0.000 1.021 473 K HN 0.709 nan 8.250 nan 0.000 0.485 474 M N 2.080 121.736 119.600 0.092 0.000 2.263 474 M HA 0.398 4.879 4.480 0.001 0.000 0.295 474 M C -1.766 174.597 176.300 0.106 0.000 1.028 474 M CA -0.363 54.963 55.300 0.044 0.000 0.921 474 M CB 1.216 33.814 32.600 -0.002 0.000 1.601 474 M HN 0.403 nan 8.290 nan 0.000 0.440 475 I N 5.684 126.299 120.570 0.076 0.000 2.500 475 I HA 0.326 4.497 4.170 0.001 0.000 0.286 475 I C -1.572 174.730 176.117 0.308 0.000 1.063 475 I CA -0.426 60.960 61.300 0.145 0.000 1.062 475 I CB 1.450 39.459 38.000 0.016 0.000 1.223 475 I HN 0.632 nan 8.210 nan 0.000 0.435 476 F N 6.909 126.949 119.950 0.150 0.000 2.361 476 F HA 0.361 4.889 4.527 0.002 0.000 0.364 476 F C -0.059 175.840 175.800 0.164 0.000 1.120 476 F CA -0.637 57.449 58.000 0.143 0.000 1.102 476 F CB 0.398 39.449 39.000 0.086 0.000 1.183 476 F HN 0.413 nan 8.300 nan 0.000 0.476 477 H N 8.304 127.447 119.070 0.122 0.000 2.741 477 H HA 0.357 4.913 4.556 0.001 0.000 0.261 477 H C -2.441 172.653 175.328 -0.391 0.000 1.365 477 H CA -2.191 53.788 56.048 -0.114 0.000 1.266 477 H CB 1.078 30.827 29.762 -0.022 0.000 1.485 477 H HN 0.326 nan 8.280 nan 0.000 0.529 478 P HA 0.119 nan 4.420 nan 0.000 0.228 478 P C -0.473 176.366 177.300 -0.770 0.000 1.748 478 P CA 0.287 62.851 63.100 -0.894 0.000 0.909 478 P CB -0.000 31.054 31.700 -1.077 0.000 1.882 479 E N -0.267 119.585 120.200 -0.580 0.000 2.416 479 E HA 0.388 4.739 4.350 0.001 0.000 0.280 479 E C -1.375 175.134 176.600 -0.152 0.000 1.055 479 E CA -0.861 55.272 56.400 -0.444 0.000 0.825 479 E CB 0.409 29.756 29.700 -0.587 0.000 1.312 479 E HN -0.208 nan 8.360 nan 0.000 0.452 480 F N 1.703 121.647 119.950 -0.010 0.000 2.529 480 F HA 0.246 4.774 4.527 0.001 0.000 0.365 480 F C 0.655 176.501 175.800 0.078 0.000 1.102 480 F CA 0.037 58.044 58.000 0.012 0.000 1.271 480 F CB 0.324 39.312 39.000 -0.020 0.000 1.120 480 F HN 0.299 nan 8.300 nan 0.000 0.579 481 L N 3.812 125.158 121.223 0.205 0.000 2.426 481 L HA 0.159 4.499 4.340 0.001 0.000 0.271 481 L C 0.259 177.197 176.870 0.113 0.000 1.169 481 L CA 0.104 54.976 54.840 0.054 0.000 0.836 481 L CB 0.238 42.229 42.059 -0.114 0.000 1.112 481 L HN 0.621 nan 8.230 nan 0.000 0.465 482 N N 0.554 119.309 118.700 0.093 0.000 2.369 482 N HA 0.277 5.017 4.740 0.001 0.000 0.287 482 N C 0.172 175.713 175.510 0.052 0.000 1.067 482 N CA -0.175 52.926 53.050 0.085 0.000 0.888 482 N CB 2.227 40.787 38.487 0.121 0.000 1.616 482 N HN 0.655 nan 8.380 nan 0.000 0.482 483 A N 2.752 125.591 122.820 0.031 0.000 2.067 483 A HA -0.125 4.196 4.320 0.001 0.000 0.219 483 A C 0.711 178.303 177.584 0.014 0.000 1.158 483 A CA 1.107 53.151 52.037 0.013 0.000 0.661 483 A CB -0.630 18.374 19.000 0.006 0.000 0.801 483 A HN 0.816 nan 8.150 nan 0.000 0.452 484 N N -0.217 118.499 118.700 0.026 0.000 3.025 484 N HA 0.203 4.944 4.740 0.001 0.000 0.315 484 N C -0.868 174.669 175.510 0.045 0.000 1.511 484 N CA -0.545 52.520 53.050 0.024 0.000 1.097 484 N CB 0.247 38.745 38.487 0.019 0.000 1.395 484 N HN 0.061 nan 8.380 nan 0.000 0.511 485 N N 0.898 119.626 118.700 0.046 0.000 2.430 485 N HA 0.314 5.055 4.740 0.001 0.000 0.298 485 N C -1.616 173.842 175.510 -0.087 0.000 1.130 485 N CA -1.941 51.141 53.050 0.053 0.000 0.894 485 N CB 1.780 40.382 38.487 0.193 0.000 1.209 485 N HN 0.078 nan 8.380 nan 0.000 0.503 486 P HA 0.105 nan 4.420 nan 0.000 0.223 486 P C 0.831 177.959 177.300 -0.286 0.000 1.151 486 P CA 0.929 63.867 63.100 -0.271 0.000 0.787 486 P CB 0.776 32.261 31.700 -0.358 0.000 0.788 487 I N -2.228 118.099 120.570 -0.406 0.000 3.341 487 I HA 0.041 4.212 4.170 0.001 0.000 0.243 487 I C 0.444 176.595 176.117 0.057 0.000 1.094 487 I CA 0.090 61.299 61.300 -0.151 0.000 1.507 487 I CB 0.014 37.883 38.000 -0.217 0.000 1.441 487 I HN -0.230 nan 8.210 nan 0.000 0.465 488 L N 2.270 123.478 121.223 -0.026 0.000 2.589 488 L HA 0.394 4.734 4.340 0.001 0.000 0.244 488 L C 0.726 177.539 176.870 -0.095 0.000 1.159 488 L CA -0.257 54.485 54.840 -0.164 0.000 1.074 488 L CB -0.334 41.429 42.059 -0.494 0.000 1.391 488 L HN 0.069 nan 8.230 nan 0.000 0.423 489 G N 4.021 112.801 108.800 -0.034 0.000 3.180 489 G HA2 0.285 4.246 3.960 0.001 0.000 0.252 489 G HA3 0.285 4.246 3.960 0.001 0.000 0.252 489 G C 0.016 174.904 174.900 -0.021 0.000 0.871 489 G CA 0.014 45.103 45.100 -0.019 0.000 1.979 489 G HN 0.436 nan 8.290 nan 0.000 0.624 490 L N -0.475 120.725 121.223 -0.038 0.000 2.333 490 L HA 0.490 4.831 4.340 0.001 0.000 0.263 490 L C -0.536 176.327 176.870 -0.012 0.000 1.014 490 L CA -1.234 53.590 54.840 -0.026 0.000 0.820 490 L CB 2.179 44.223 42.059 -0.026 0.000 1.352 490 L HN -0.019 nan 8.230 nan 0.000 0.421 491 D N -0.656 119.750 120.400 0.008 0.000 2.340 491 D HA 0.056 4.697 4.640 0.001 0.000 0.251 491 D C 0.366 176.708 176.300 0.069 0.000 1.080 491 D CA -0.215 53.811 54.000 0.043 0.000 0.971 491 D CB 1.363 42.188 40.800 0.042 0.000 1.137 491 D HN 0.435 nan 8.370 nan 0.000 0.475 492 Y N 1.796 122.092 120.300 -0.007 0.000 2.069 492 Y HA -0.311 4.240 4.550 0.001 0.000 0.278 492 Y C 1.982 177.908 175.900 0.043 0.000 1.175 492 Y CA 2.501 60.602 58.100 0.003 0.000 1.134 492 Y CB -0.088 38.394 38.460 0.037 0.000 0.965 492 Y HN 0.492 nan 8.280 nan 0.000 0.498 493 D N -0.477 119.921 120.400 -0.004 0.000 2.149 493 D HA -0.233 4.407 4.640 0.001 0.000 0.198 493 D C 1.620 177.853 176.300 -0.113 0.000 0.990 493 D CA 1.899 55.860 54.000 -0.065 0.000 0.839 493 D CB -0.553 40.326 40.800 0.131 0.000 0.948 493 D HN 0.646 nan 8.370 nan 0.000 0.460 494 E N -0.252 119.911 120.200 -0.062 0.000 2.038 494 E HA -0.155 4.195 4.350 0.001 0.000 0.195 494 E C 2.059 178.577 176.600 -0.136 0.000 1.000 494 E CA 1.078 57.436 56.400 -0.070 0.000 0.803 494 E CB -0.427 29.253 29.700 -0.034 0.000 0.750 494 E HN 0.345 nan 8.360 nan 0.000 0.448 495 F N 1.412 121.168 119.950 -0.322 0.000 2.095 495 F HA -0.251 4.277 4.527 0.001 0.000 0.298 495 F C 2.118 177.589 175.800 -0.549 0.000 1.104 495 F CA 1.191 58.924 58.000 -0.446 0.000 1.232 495 F CB -0.250 38.439 39.000 -0.518 0.000 0.987 495 F HN -0.195 nan 8.300 nan 0.000 0.475 496 V N 1.346 120.908 119.914 -0.586 0.000 2.282 496 V HA -0.346 3.775 4.120 0.001 0.000 0.249 496 V C 2.556 178.397 176.094 -0.421 0.000 1.057 496 V CA 2.404 64.295 62.300 -0.682 0.000 1.032 496 V CB -0.807 30.678 31.823 -0.563 0.000 0.645 496 V HN 0.324 nan 8.190 nan 0.000 0.447 497 R N 0.241 120.567 120.500 -0.290 0.000 2.070 497 R HA -0.112 4.228 4.340 0.001 0.000 0.233 497 R C 2.445 178.662 176.300 -0.137 0.000 1.137 497 R CA 1.544 57.538 56.100 -0.177 0.000 0.945 497 R CB -1.030 29.215 30.300 -0.090 0.000 0.845 497 R HN 0.586 nan 8.270 nan 0.000 0.430 498 G N 0.589 109.296 108.800 -0.155 0.000 2.564 498 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 498 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 498 G C 0.568 175.405 174.900 -0.105 0.000 1.124 498 G CA 0.319 45.380 45.100 -0.065 0.000 0.764 498 G HN 0.246 nan 8.290 nan 0.000 0.550 499 C N -1.543 117.579 119.300 -0.296 0.000 2.478 499 C HA 0.555 5.016 4.460 0.001 0.000 0.379 499 C C 1.577 176.499 174.990 -0.114 0.000 1.470 499 C CA -0.633 58.300 59.018 -0.142 0.000 2.066 499 C CB 1.003 28.614 27.740 -0.213 0.000 2.001 499 C HN 0.502 nan 8.230 nan 0.000 0.550 500 H N -0.873 118.355 119.070 0.265 0.000 2.594 500 H HA 0.368 4.924 4.556 0.001 0.000 0.274 500 H C -0.483 174.965 175.328 0.199 0.000 0.982 500 H CA 0.478 56.698 56.048 0.286 0.000 1.228 500 H CB 0.666 30.716 29.762 0.479 0.000 1.447 500 H HN 0.308 nan 8.280 nan 0.000 0.485 501 L N 0.619 121.979 121.223 0.228 0.000 2.526 501 L HA 0.540 4.881 4.340 0.001 0.000 0.263 501 L C -0.522 176.159 176.870 -0.315 0.000 0.943 501 L CA -0.626 54.069 54.840 -0.241 0.000 0.859 501 L CB 2.034 43.588 42.059 -0.842 0.000 1.313 501 L HN 0.092 nan 8.230 nan 0.000 0.406 502 G N 3.350 111.845 108.800 -0.508 0.000 2.367 502 G HA2 0.601 4.562 3.960 0.001 0.000 0.314 502 G HA3 0.601 4.562 3.960 0.001 0.000 0.314 502 G C -1.429 172.676 174.900 -1.326 0.000 1.130 502 G CA -0.452 43.914 45.100 -1.224 0.000 0.864 502 G HN 0.506 nan 8.290 nan 0.000 0.486 503 V N 1.782 120.610 119.914 -1.810 0.000 2.483 503 V HA 0.485 4.605 4.120 0.001 0.000 0.297 503 V C -1.209 173.962 176.094 -1.539 0.000 1.027 503 V CA -0.644 60.872 62.300 -1.307 0.000 0.855 503 V CB 1.101 32.420 31.823 -0.839 0.000 0.995 503 V HN 0.647 nan 8.190 nan 0.000 0.424 504 F N 5.488 125.205 119.950 -0.389 0.000 2.686 504 F HA 0.446 4.974 4.527 0.001 0.000 0.365 504 F C -2.506 173.187 175.800 -0.177 0.000 1.196 504 F CA -2.291 55.528 58.000 -0.302 0.000 1.198 504 F CB 1.649 40.490 39.000 -0.264 0.000 1.454 504 F HN 0.291 nan 8.300 nan 0.000 0.539 505 P HA 0.133 nan 4.420 nan 0.000 0.225 505 P C -0.182 177.148 177.300 0.049 0.000 1.813 505 P CA 0.085 63.192 63.100 0.012 0.000 1.013 505 P CB 0.310 32.020 31.700 0.016 0.000 1.961 506 S N 1.051 116.789 115.700 0.064 0.000 2.549 506 S HA 0.097 4.568 4.470 0.001 0.000 0.279 506 S C 0.430 175.130 174.600 0.167 0.000 1.321 506 S CA -0.127 58.127 58.200 0.089 0.000 1.054 506 S CB 0.533 63.756 63.200 0.038 0.000 0.899 506 S HN 0.316 nan 8.310 nan 0.000 0.497 507 Y N 2.520 122.869 120.300 0.082 0.000 2.314 507 Y HA 0.288 4.839 4.550 0.001 0.000 0.294 507 Y C 0.017 176.107 175.900 0.316 0.000 1.139 507 Y CA 0.415 58.622 58.100 0.179 0.000 1.162 507 Y CB 0.067 38.627 38.460 0.166 0.000 1.121 507 Y HN 0.679 nan 8.280 nan 0.000 0.529 508 Y N 1.915 122.252 120.300 0.062 0.000 2.345 508 Y HA 0.446 4.996 4.550 0.001 0.000 0.331 508 Y C -1.002 174.913 175.900 0.025 0.000 0.959 508 Y CA -1.092 56.985 58.100 -0.038 0.000 1.204 508 Y CB 0.700 39.064 38.460 -0.160 0.000 1.135 508 Y HN 0.203 nan 8.280 nan 0.000 0.477 509 E N 8.005 127.976 120.200 -0.381 0.000 2.712 509 E HA 0.253 4.604 4.350 0.001 0.000 0.372 509 E C -2.610 173.856 176.600 -0.223 0.000 1.058 509 E CA -1.615 54.654 56.400 -0.220 0.000 0.747 509 E CB 1.217 30.857 29.700 -0.100 0.000 1.596 509 E HN 0.368 nan 8.360 nan 0.000 0.380 510 P HA -0.097 nan 4.420 nan 0.000 0.218 510 P C 0.324 177.713 177.300 0.149 0.000 1.149 510 P CA 0.893 63.948 63.100 -0.074 0.000 0.817 510 P CB 0.167 31.863 31.700 -0.008 0.000 0.785 511 W N -0.841 120.421 121.300 -0.064 0.000 3.797 511 W HA 0.322 4.983 4.660 0.001 0.000 0.217 511 W C -0.280 176.202 176.519 -0.062 0.000 0.934 511 W CA 0.607 57.909 57.345 -0.072 0.000 2.464 511 W CB 0.326 29.702 29.460 -0.139 0.000 1.165 511 W HN 0.028 nan 8.180 nan 0.000 0.677 512 G N 1.554 110.204 108.800 -0.250 0.000 2.970 512 G HA2 -0.310 3.651 3.960 0.001 0.000 0.249 512 G HA3 -0.310 3.651 3.960 0.001 0.000 0.249 512 G C -0.417 174.161 174.900 -0.537 0.000 1.113 512 G CA -0.010 44.852 45.100 -0.397 0.000 1.119 512 G HN 0.480 nan 8.290 nan 0.000 0.552 513 Y N 0.177 120.396 120.300 -0.135 0.000 2.333 513 Y HA -0.178 4.373 4.550 0.001 0.000 0.290 513 Y C 3.105 178.836 175.900 -0.282 0.000 1.144 513 Y CA 2.067 60.137 58.100 -0.051 0.000 1.228 513 Y CB 0.289 38.825 38.460 0.127 0.000 0.985 513 Y HN 0.551 nan 8.280 nan 0.000 0.542 514 T N -0.097 114.334 114.554 -0.204 0.000 2.770 514 T HA -0.098 4.253 4.350 0.001 0.000 0.263 514 T C -0.705 173.532 174.700 -0.771 0.000 1.039 514 T CA 1.041 62.940 62.100 -0.335 0.000 1.142 514 T CB -1.401 67.303 68.868 -0.274 0.000 0.868 514 T HN 0.199 nan 8.240 nan 0.000 0.435 515 P HA 0.040 nan 4.420 nan 0.000 0.216 515 P C 1.490 178.124 177.300 -1.109 0.000 1.150 515 P CA 1.150 63.428 63.100 -1.369 0.000 0.837 515 P CB -0.220 30.797 31.700 -1.139 0.000 0.786 516 A N 0.754 122.828 122.820 -1.242 0.000 1.929 516 A HA -0.167 4.154 4.320 0.001 0.000 0.216 516 A C 1.999 179.329 177.584 -0.422 0.000 1.176 516 A CA 1.360 52.740 52.037 -1.095 0.000 0.628 516 A CB -1.049 17.554 19.000 -0.661 0.000 0.816 516 A HN 0.371 nan 8.150 nan 0.000 0.444 517 E N -1.126 118.889 120.200 -0.307 0.000 2.502 517 E HA -0.030 4.321 4.350 0.001 0.000 0.194 517 E C 1.634 178.051 176.600 -0.305 0.000 1.062 517 E CA 0.598 56.789 56.400 -0.348 0.000 0.867 517 E CB -0.555 28.973 29.700 -0.286 0.000 0.888 517 E HN 0.487 nan 8.360 nan 0.000 0.510 518 C N 0.959 120.127 119.300 -0.220 0.000 2.543 518 C HA -0.081 4.380 4.460 0.001 0.000 0.281 518 C C 2.704 177.639 174.990 -0.093 0.000 1.276 518 C CA 1.555 60.536 59.018 -0.061 0.000 1.700 518 C CB -0.855 26.927 27.740 0.071 0.000 2.093 518 C HN 0.543 nan 8.230 nan 0.000 0.488 519 T N 0.787 115.276 114.554 -0.109 0.000 2.592 519 T HA -0.230 4.121 4.350 0.001 0.000 0.267 519 T C 1.745 176.400 174.700 -0.075 0.000 1.060 519 T CA 2.289 64.368 62.100 -0.036 0.000 1.167 519 T CB -0.720 68.193 68.868 0.075 0.000 0.863 519 T HN 0.416 nan 8.240 nan 0.000 0.431 520 V N 1.275 121.106 119.914 -0.139 0.000 2.277 520 V HA -0.275 3.846 4.120 0.001 0.000 0.253 520 V C 2.413 178.405 176.094 -0.169 0.000 1.067 520 V CA 2.085 64.279 62.300 -0.177 0.000 1.047 520 V CB -0.571 31.042 31.823 -0.350 0.000 0.649 520 V HN 0.522 nan 8.190 nan 0.000 0.447 521 M N -0.783 118.688 119.600 -0.215 0.000 2.630 521 M HA 0.127 4.608 4.480 0.001 0.000 0.254 521 M C 1.413 177.666 176.300 -0.078 0.000 1.092 521 M CA 1.190 56.413 55.300 -0.130 0.000 1.087 521 M CB 0.066 32.583 32.600 -0.139 0.000 1.453 521 M HN 0.562 nan 8.290 nan 0.000 0.509 522 G N 0.128 108.885 108.800 -0.073 0.000 2.134 522 G HA2 -0.156 3.804 3.960 0.001 0.000 0.209 522 G HA3 -0.156 3.804 3.960 0.001 0.000 0.209 522 G C -0.241 174.623 174.900 -0.060 0.000 0.993 522 G CA -0.316 44.748 45.100 -0.060 0.000 0.669 522 G HN 0.283 nan 8.290 nan 0.000 0.519 523 V N 1.009 120.895 119.914 -0.046 0.000 2.417 523 V HA 0.531 4.651 4.120 0.001 0.000 0.291 523 V C -1.899 174.195 176.094 -0.000 0.000 1.024 523 V CA -2.016 60.269 62.300 -0.026 0.000 0.861 523 V CB 1.964 33.787 31.823 0.000 0.000 0.985 523 V HN 0.077 nan 8.190 nan 0.000 0.436 524 P HA 0.224 nan 4.420 nan 0.000 0.268 524 P C -0.547 176.712 177.300 -0.069 0.000 1.205 524 P CA 0.279 63.372 63.100 -0.012 0.000 0.771 524 P CB 0.524 32.235 31.700 0.018 0.000 0.858 525 S N 1.947 117.634 115.700 -0.023 0.000 2.632 525 S HA 0.694 5.165 4.470 0.001 0.000 0.289 525 S C -0.475 174.109 174.600 -0.027 0.000 1.115 525 S CA -0.890 57.290 58.200 -0.034 0.000 0.889 525 S CB 1.309 64.608 63.200 0.165 0.000 1.116 525 S HN 0.218 nan 8.310 nan 0.000 0.486 526 I N 1.189 121.676 120.570 -0.139 0.000 2.406 526 I HA 0.569 4.740 4.170 0.001 0.000 0.290 526 I C 0.251 176.372 176.117 0.007 0.000 0.999 526 I CA -0.153 61.084 61.300 -0.106 0.000 1.124 526 I CB 2.117 39.963 38.000 -0.257 0.000 1.289 526 I HN 0.737 nan 8.210 nan 0.000 0.441 527 T N 3.070 117.656 114.554 0.052 0.000 2.551 527 T HA 0.572 4.923 4.350 0.001 0.000 0.249 527 T C -0.793 173.929 174.700 0.036 0.000 0.851 527 T CA -0.169 61.981 62.100 0.084 0.000 1.149 527 T CB 1.965 70.927 68.868 0.156 0.000 1.456 527 T HN 0.586 nan 8.240 nan 0.000 0.514 528 T N 1.679 116.237 114.554 0.007 0.000 2.889 528 T HA 0.346 4.697 4.350 0.001 0.000 0.315 528 T C -0.002 174.647 174.700 -0.086 0.000 1.291 528 T CA -0.698 61.388 62.100 -0.023 0.000 1.028 528 T CB 1.360 70.221 68.868 -0.011 0.000 1.235 528 T HN 0.692 nan 8.240 nan 0.000 0.491 529 N N 0.957 119.585 118.700 -0.121 0.000 2.383 529 N HA -0.016 4.725 4.740 0.001 0.000 0.192 529 N C 1.094 176.432 175.510 -0.288 0.000 1.141 529 N CA 0.393 53.339 53.050 -0.175 0.000 0.851 529 N CB -0.140 38.259 38.487 -0.147 0.000 0.976 529 N HN 0.426 nan 8.380 nan 0.000 0.465 530 V N -3.972 115.743 119.914 -0.330 0.000 3.528 530 V HA 0.348 4.469 4.120 0.001 0.000 0.294 530 V C 0.543 176.503 176.094 -0.224 0.000 1.404 530 V CA -0.324 61.690 62.300 -0.477 0.000 1.065 530 V CB -0.527 30.705 31.823 -0.985 0.000 0.904 530 V HN 0.248 nan 8.190 nan 0.000 0.435 531 S N 1.131 116.739 115.700 -0.154 0.000 2.475 531 S HA 0.575 5.046 4.470 0.001 0.000 0.281 531 S C 1.608 176.134 174.600 -0.124 0.000 1.198 531 S CA 0.302 58.430 58.200 -0.121 0.000 1.063 531 S CB 1.111 64.255 63.200 -0.093 0.000 0.972 531 S HN 0.709 nan 8.310 nan 0.000 0.486 532 G N 4.217 112.958 108.800 -0.098 0.000 2.631 532 G HA2 -0.300 3.661 3.960 0.001 0.000 0.219 532 G HA3 -0.300 3.661 3.960 0.001 0.000 0.219 532 G C 1.067 175.842 174.900 -0.207 0.000 1.214 532 G CA 1.429 46.519 45.100 -0.017 0.000 0.785 532 G HN 0.881 nan 8.290 nan 0.000 0.596 533 F N 2.557 121.980 119.950 -0.879 0.000 2.161 533 F HA 0.028 4.555 4.527 0.002 0.000 0.300 533 F C 2.492 178.036 175.800 -0.426 0.000 1.089 533 F CA 1.603 58.929 58.000 -1.122 0.000 1.282 533 F CB -0.459 37.730 39.000 -1.352 0.000 1.010 533 F HN 0.151 nan 8.300 nan 0.000 0.485 534 G N 0.181 108.816 108.800 -0.276 0.000 2.552 534 G HA2 -0.366 3.595 3.960 0.001 0.000 0.216 534 G HA3 -0.366 3.595 3.960 0.001 0.000 0.216 534 G C 1.774 176.511 174.900 -0.272 0.000 1.240 534 G CA 1.662 46.609 45.100 -0.254 0.000 0.796 534 G HN 0.527 nan 8.290 nan 0.000 0.568 535 S N -0.106 115.494 115.700 -0.166 0.000 2.380 535 S HA -0.299 4.172 4.470 0.001 0.000 0.229 535 S C 2.218 176.765 174.600 -0.088 0.000 1.043 535 S CA 1.914 60.051 58.200 -0.105 0.000 1.038 535 S CB -0.768 62.404 63.200 -0.046 0.000 0.872 535 S HN 0.518 nan 8.310 nan 0.000 0.456 536 Y N 1.337 121.521 120.300 -0.193 0.000 2.242 536 Y HA 0.109 4.660 4.550 0.001 0.000 0.291 536 Y C 2.345 178.112 175.900 -0.221 0.000 1.137 536 Y CA 1.466 59.489 58.100 -0.127 0.000 1.181 536 Y CB -0.450 38.024 38.460 0.024 0.000 0.989 536 Y HN 0.289 nan 8.280 nan 0.000 0.527 537 M N 0.369 119.646 119.600 -0.538 0.000 2.288 537 M HA -0.075 4.406 4.480 0.001 0.000 0.266 537 M C 2.149 178.209 176.300 -0.399 0.000 1.072 537 M CA 1.476 56.421 55.300 -0.593 0.000 1.132 537 M CB -0.366 31.791 32.600 -0.738 0.000 1.386 537 M HN 0.376 nan 8.290 nan 0.000 0.432 538 E N -0.444 119.574 120.200 -0.303 0.000 2.204 538 E HA -0.217 4.134 4.350 0.001 0.000 0.194 538 E C 0.684 177.174 176.600 -0.183 0.000 0.989 538 E CA 1.234 57.514 56.400 -0.200 0.000 0.824 538 E CB 0.025 29.643 29.700 -0.136 0.000 0.756 538 E HN 0.431 nan 8.360 nan 0.000 0.477 539 D N -0.140 120.127 120.400 -0.220 0.000 2.363 539 D HA 0.042 4.683 4.640 0.001 0.000 0.220 539 D C -0.066 176.100 176.300 -0.223 0.000 0.994 539 D CA 0.315 54.203 54.000 -0.186 0.000 0.890 539 D CB 0.329 41.030 40.800 -0.165 0.000 0.906 539 D HN 0.077 nan 8.370 nan 0.000 0.530 547 K N 0.600 120.860 120.400 -0.232 0.000 2.487 547 K HA 0.126 4.447 4.320 0.001 0.000 0.192 547 K C 0.319 176.751 176.600 -0.280 0.000 1.027 547 K CA 0.859 56.888 56.287 -0.431 0.000 1.054 547 K CB 0.080 32.346 32.500 -0.389 0.000 0.824 547 K HN 0.398 nan 8.250 nan 0.000 0.510 548 D N -0.090 120.250 120.400 -0.101 0.000 2.347 548 D HA -0.038 4.603 4.640 0.001 0.000 0.213 548 D C 0.317 176.751 176.300 0.224 0.000 0.985 548 D CA 0.651 54.676 54.000 0.042 0.000 0.879 548 D CB 0.211 41.042 40.800 0.052 0.000 0.919 548 D HN 0.281 nan 8.370 nan 0.000 0.526 549 Y N -1.040 119.174 120.300 -0.142 0.000 2.571 549 Y HA 0.250 4.800 4.550 0.001 0.000 0.275 549 Y C 1.489 177.311 175.900 -0.130 0.000 1.179 549 Y CA -0.330 57.704 58.100 -0.111 0.000 1.242 549 Y CB 0.903 39.301 38.460 -0.103 0.000 1.126 549 Y HN 0.012 nan 8.280 nan 0.000 0.524 550 G N 1.647 110.407 108.800 -0.067 0.000 2.147 550 G HA2 -0.313 3.648 3.960 0.001 0.000 0.244 550 G HA3 -0.313 3.648 3.960 0.001 0.000 0.244 550 G C -0.308 174.476 174.900 -0.194 0.000 1.005 550 G CA 0.007 45.035 45.100 -0.120 0.000 0.713 550 G HN 0.374 nan 8.290 nan 0.000 0.515 551 I N 0.495 120.879 120.570 -0.309 0.000 2.411 551 I HA 0.443 4.613 4.170 0.001 0.000 0.284 551 I C -0.486 175.362 176.117 -0.449 0.000 1.012 551 I CA -1.130 60.017 61.300 -0.255 0.000 1.119 551 I CB 1.054 38.978 38.000 -0.127 0.000 1.261 551 I HN 0.082 nan 8.210 nan 0.000 0.448 552 Y N 6.839 126.968 120.300 -0.285 0.000 2.331 552 Y HA 0.561 5.112 4.550 0.001 0.000 0.338 552 Y C -0.022 175.660 175.900 -0.363 0.000 0.992 552 Y CA -0.688 57.086 58.100 -0.543 0.000 1.121 552 Y CB 1.189 39.114 38.460 -0.892 0.000 1.184 552 Y HN 0.316 nan 8.280 nan 0.000 0.469 553 I N 4.198 124.692 120.570 -0.126 0.000 2.354 553 I HA 0.317 4.487 4.170 0.001 0.000 0.286 553 I C -0.746 175.487 176.117 0.194 0.000 1.007 553 I CA -0.906 60.400 61.300 0.011 0.000 1.167 553 I CB 1.159 39.143 38.000 -0.027 0.000 1.320 553 I HN 0.246 nan 8.210 nan 0.000 0.458 554 V N 4.832 124.865 119.914 0.198 0.000 2.488 554 V HA 0.036 4.157 4.120 0.001 0.000 0.277 554 V C 0.432 176.578 176.094 0.087 0.000 1.046 554 V CA -0.205 62.223 62.300 0.214 0.000 0.986 554 V CB 1.277 33.197 31.823 0.161 0.000 0.989 554 V HN 0.678 nan 8.190 nan 0.000 0.475 555 D N 5.012 125.457 120.400 0.074 0.000 2.455 555 D HA 0.071 4.712 4.640 0.001 0.000 0.234 555 D C 1.104 177.396 176.300 -0.014 0.000 1.224 555 D CA -0.078 53.934 54.000 0.019 0.000 0.999 555 D CB 0.329 41.174 40.800 0.074 0.000 1.072 555 D HN 0.347 nan 8.370 nan 0.000 0.514 556 R N 2.390 122.858 120.500 -0.053 0.000 2.310 556 R HA 0.060 4.401 4.340 0.001 0.000 0.202 556 R C 1.685 177.944 176.300 -0.069 0.000 0.933 556 R CA 0.058 56.150 56.100 -0.013 0.000 1.054 556 R CB 0.288 30.619 30.300 0.052 0.000 0.985 556 R HN 0.421 nan 8.270 nan 0.000 0.489 557 R N -0.951 119.380 120.500 -0.282 0.000 2.123 557 R HA 0.059 4.400 4.340 0.001 0.000 0.209 557 R C 0.878 176.901 176.300 -0.463 0.000 1.078 557 R CA 0.906 56.669 56.100 -0.562 0.000 1.028 557 R CB 0.243 29.867 30.300 -1.126 0.000 0.939 557 R HN 0.004 nan 8.270 nan 0.000 0.463 558 F N 0.595 120.545 119.950 0.001 0.000 2.553 558 F HA 0.323 4.851 4.527 0.001 0.000 0.282 558 F C 0.436 176.249 175.800 0.021 0.000 1.089 558 F CA -0.087 57.918 58.000 0.009 0.000 1.411 558 F CB 0.030 39.022 39.000 -0.014 0.000 1.125 558 F HN -0.317 nan 8.300 nan 0.000 0.610 559 K N 1.375 121.876 120.400 0.168 0.000 2.202 559 K HA 0.520 4.841 4.320 0.001 0.000 0.264 559 K C 0.204 176.851 176.600 0.078 0.000 1.010 559 K CA -0.251 56.097 56.287 0.101 0.000 0.940 559 K CB 0.893 33.432 32.500 0.066 0.000 0.983 559 K HN 0.033 nan 8.250 nan 0.000 0.475 560 A N 3.130 125.986 122.820 0.060 0.000 2.366 560 A HA 0.161 4.482 4.320 0.001 0.000 0.249 560 A C -1.499 176.103 177.584 0.029 0.000 1.084 560 A CA -1.186 50.880 52.037 0.048 0.000 0.794 560 A CB -0.244 18.779 19.000 0.037 0.000 1.034 560 A HN 0.485 nan 8.150 nan 0.000 0.491 561 P HA -0.226 nan 4.420 nan 0.000 0.217 561 P C 0.978 178.274 177.300 -0.008 0.000 1.158 561 P CA 1.793 64.889 63.100 -0.006 0.000 0.887 561 P CB 0.133 31.819 31.700 -0.022 0.000 0.792 562 D N -0.760 119.636 120.400 -0.006 0.000 2.144 562 D HA -0.138 4.502 4.640 0.001 0.000 0.200 562 D C 1.583 177.874 176.300 -0.014 0.000 0.978 562 D CA 0.926 54.917 54.000 -0.013 0.000 0.833 562 D CB 0.013 40.804 40.800 -0.014 0.000 0.961 562 D HN 0.313 nan 8.370 nan 0.000 0.470 563 E N -0.075 120.122 120.200 -0.006 0.000 2.347 563 E HA -0.038 4.313 4.350 0.001 0.000 0.196 563 E C 2.045 178.637 176.600 -0.013 0.000 1.008 563 E CA 0.188 56.582 56.400 -0.010 0.000 0.852 563 E CB 0.168 29.869 29.700 0.001 0.000 0.783 563 E HN -0.002 nan 8.360 nan 0.000 0.505 564 S N 0.355 116.054 115.700 -0.003 0.000 2.345 564 S HA -0.099 4.371 4.470 0.001 0.000 0.219 564 S C 2.174 176.770 174.600 -0.007 0.000 1.031 564 S CA 0.707 58.909 58.200 0.002 0.000 0.984 564 S CB -0.025 63.183 63.200 0.014 0.000 0.874 564 S HN 0.083 nan 8.310 nan 0.000 0.451 565 V N 2.592 122.500 119.914 -0.011 0.000 2.250 565 V HA -0.203 3.917 4.120 0.001 0.000 0.250 565 V C 2.543 178.623 176.094 -0.023 0.000 1.060 565 V CA 1.810 64.102 62.300 -0.013 0.000 1.030 565 V CB -0.729 31.081 31.823 -0.022 0.000 0.643 565 V HN 0.398 nan 8.190 nan 0.000 0.445 566 E N -0.122 120.057 120.200 -0.035 0.000 2.077 566 E HA -0.272 4.079 4.350 0.001 0.000 0.193 566 E C 2.218 178.771 176.600 -0.077 0.000 0.989 566 E CA 1.643 58.014 56.400 -0.048 0.000 0.800 566 E CB -0.390 29.282 29.700 -0.048 0.000 0.746 566 E HN 0.780 nan 8.360 nan 0.000 0.452 567 Q N 0.311 120.052 119.800 -0.098 0.000 2.124 567 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 567 Q C 2.219 178.095 176.000 -0.207 0.000 0.977 567 Q CA 0.904 56.583 55.803 -0.208 0.000 0.850 567 Q CB -0.067 28.559 28.738 -0.187 0.000 0.901 567 Q HN 0.176 nan 8.270 nan 0.000 0.429 568 L N -0.060 121.138 121.223 -0.043 0.000 2.056 568 L HA -0.131 4.210 4.340 0.001 0.000 0.207 568 L C 2.100 178.992 176.870 0.036 0.000 1.078 568 L CA 1.436 56.306 54.840 0.050 0.000 0.749 568 L CB -0.589 41.504 42.059 0.058 0.000 0.901 568 L HN 0.107 nan 8.230 nan 0.000 0.433 569 V N 0.045 119.961 119.914 0.004 0.000 2.255 569 V HA -0.311 3.810 4.120 0.001 0.000 0.247 569 V C 2.342 178.442 176.094 0.010 0.000 1.051 569 V CA 2.026 64.336 62.300 0.017 0.000 1.018 569 V CB -1.015 30.809 31.823 0.001 0.000 0.641 569 V HN 0.449 nan 8.190 nan 0.000 0.445 570 D N -0.832 119.536 120.400 -0.054 0.000 2.149 570 D HA -0.231 4.410 4.640 0.001 0.000 0.194 570 D C 2.080 178.367 176.300 -0.021 0.000 1.001 570 D CA 1.977 55.933 54.000 -0.074 0.000 0.849 570 D CB -0.334 40.362 40.800 -0.173 0.000 0.939 570 D HN 0.604 nan 8.370 nan 0.000 0.449 571 Y N 0.415 120.689 120.300 -0.043 0.000 2.145 571 Y HA -0.157 4.394 4.550 0.001 0.000 0.286 571 Y C 2.807 178.597 175.900 -0.183 0.000 1.145 571 Y CA 0.519 58.523 58.100 -0.161 0.000 1.148 571 Y CB -0.160 38.131 38.460 -0.281 0.000 0.981 571 Y HN -0.118 nan 8.280 nan 0.000 0.507 572 M N -0.092 119.552 119.600 0.073 0.000 2.108 572 M HA -0.271 4.210 4.480 0.001 0.000 0.261 572 M C 2.102 178.555 176.300 0.255 0.000 1.066 572 M CA 1.782 57.186 55.300 0.173 0.000 1.107 572 M CB -0.329 32.446 32.600 0.292 0.000 1.356 572 M HN 0.256 nan 8.290 nan 0.000 0.406 573 E N 0.715 121.009 120.200 0.157 0.000 2.012 573 E HA -0.294 4.057 4.350 0.001 0.000 0.197 573 E C 1.810 178.489 176.600 0.133 0.000 1.007 573 E CA 1.948 58.420 56.400 0.121 0.000 0.816 573 E CB -0.106 29.638 29.700 0.073 0.000 0.762 573 E HN 0.612 nan 8.360 nan 0.000 0.451 574 E N -0.325 119.958 120.200 0.138 0.000 2.171 574 E HA -0.257 4.094 4.350 0.001 0.000 0.197 574 E C 1.928 178.632 176.600 0.175 0.000 0.997 574 E CA 1.379 57.869 56.400 0.149 0.000 0.810 574 E CB -0.471 29.348 29.700 0.197 0.000 0.738 574 E HN 0.371 nan 8.360 nan 0.000 0.467 575 F N 0.946 120.929 119.950 0.055 0.000 2.186 575 F HA -0.081 4.447 4.527 0.001 0.000 0.299 575 F C 1.989 177.847 175.800 0.097 0.000 1.090 575 F CA 1.130 59.171 58.000 0.069 0.000 1.307 575 F CB -0.133 38.859 39.000 -0.014 0.000 1.019 575 F HN -0.072 nan 8.300 nan 0.000 0.489 576 V N 0.662 120.648 119.914 0.120 0.000 2.261 576 V HA -0.287 3.834 4.120 0.001 0.000 0.246 576 V C 1.641 177.682 176.094 -0.088 0.000 1.047 576 V CA 1.936 64.229 62.300 -0.012 0.000 1.015 576 V CB -0.718 31.124 31.823 0.032 0.000 0.642 576 V HN 0.182 nan 8.190 nan 0.000 0.446 577 K N 1.031 121.411 120.400 -0.032 0.000 3.077 577 K HA 0.051 4.372 4.320 0.001 0.000 0.269 577 K C 0.276 176.847 176.600 -0.049 0.000 0.973 577 K CA 0.138 56.405 56.287 -0.034 0.000 1.162 577 K CB -0.231 32.268 32.500 -0.000 0.000 1.079 577 K HN 0.319 nan 8.250 nan 0.000 0.456 578 K N 1.889 122.222 120.400 -0.111 0.000 2.235 578 K HA 0.077 4.398 4.320 0.001 0.000 0.266 578 K C -0.084 176.450 176.600 -0.110 0.000 0.980 578 K CA -0.441 55.778 56.287 -0.114 0.000 0.849 578 K CB 1.165 33.538 32.500 -0.211 0.000 1.098 578 K HN 0.086 nan 8.250 nan 0.000 0.445 579 T N 0.839 115.357 114.554 -0.061 0.000 2.900 579 T HA 0.126 4.477 4.350 0.001 0.000 0.307 579 T C 1.185 175.857 174.700 -0.047 0.000 1.065 579 T CA -0.108 61.964 62.100 -0.047 0.000 1.105 579 T CB 1.396 70.250 68.868 -0.023 0.000 0.979 579 T HN 0.593 nan 8.240 nan 0.000 0.544 580 A N 1.800 124.600 122.820 -0.034 0.000 2.259 580 A HA 0.322 4.643 4.320 0.001 0.000 0.212 580 A C 2.322 179.911 177.584 0.009 0.000 1.178 580 A CA 1.171 53.202 52.037 -0.011 0.000 0.734 580 A CB -1.133 17.869 19.000 0.004 0.000 0.774 580 A HN 1.178 nan 8.150 nan 0.000 0.481 581 A N -0.817 122.004 122.820 0.003 0.000 1.901 581 A HA 0.015 4.336 4.320 0.001 0.000 0.210 581 A C 1.996 179.589 177.584 0.015 0.000 1.208 581 A CA 0.963 53.007 52.037 0.012 0.000 0.644 581 A CB -0.355 18.651 19.000 0.009 0.000 0.863 581 A HN 0.524 nan 8.150 nan 0.000 0.454 582 Q N -0.027 119.778 119.800 0.008 0.000 2.096 582 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 582 Q C 2.317 178.333 176.000 0.028 0.000 0.982 582 Q CA 1.603 57.417 55.803 0.019 0.000 0.850 582 Q CB -0.407 28.339 28.738 0.013 0.000 0.901 582 Q HN 0.663 nan 8.270 nan 0.000 0.422 583 A N 0.832 123.657 122.820 0.008 0.000 1.898 583 A HA -0.136 4.184 4.320 0.001 0.000 0.216 583 A C 2.038 179.662 177.584 0.066 0.000 1.181 583 A CA 0.948 53.001 52.037 0.026 0.000 0.620 583 A CB -0.532 18.451 19.000 -0.028 0.000 0.819 583 A HN 0.304 nan 8.150 nan 0.000 0.442 584 I N 0.082 120.684 120.570 0.053 0.000 2.361 584 I HA -0.254 3.917 4.170 0.001 0.000 0.251 584 I C 2.014 178.152 176.117 0.034 0.000 1.133 584 I CA 1.082 62.413 61.300 0.053 0.000 1.413 584 I CB -0.335 37.693 38.000 0.047 0.000 1.073 584 I HN 0.319 nan 8.210 nan 0.000 0.424 585 N N 0.450 119.168 118.700 0.030 0.000 2.142 585 N HA -0.215 4.525 4.740 0.001 0.000 0.186 585 N C 1.737 177.253 175.510 0.010 0.000 1.023 585 N CA 1.038 54.098 53.050 0.018 0.000 0.852 585 N CB -0.351 38.151 38.487 0.025 0.000 0.998 585 N HN 0.381 nan 8.380 nan 0.000 0.424 586 Q N 0.711 120.536 119.800 0.041 0.000 2.030 586 Q HA -0.076 4.265 4.340 0.001 0.000 0.204 586 Q C 2.003 178.009 176.000 0.011 0.000 0.986 586 Q CA 1.295 57.127 55.803 0.049 0.000 0.843 586 Q CB 0.054 28.870 28.738 0.129 0.000 0.904 586 Q HN 0.255 nan 8.270 nan 0.000 0.420 587 R N 0.051 120.571 120.500 0.033 0.000 2.105 587 R HA -0.123 4.217 4.340 0.001 0.000 0.239 587 R C 1.846 178.120 176.300 -0.043 0.000 1.135 587 R CA 1.366 57.466 56.100 0.000 0.000 0.967 587 R CB -0.217 30.088 30.300 0.010 0.000 0.861 587 R HN 0.389 nan 8.270 nan 0.000 0.442 588 N N 0.353 119.026 118.700 -0.045 0.000 2.270 588 N HA -0.095 4.646 4.740 0.001 0.000 0.181 588 N C 1.706 177.129 175.510 -0.144 0.000 1.016 588 N CA 0.888 53.897 53.050 -0.069 0.000 0.870 588 N CB -0.083 38.377 38.487 -0.044 0.000 0.979 588 N HN 0.257 nan 8.380 nan 0.000 0.431 589 R N 0.133 120.512 120.500 -0.200 0.000 2.057 589 R HA -0.058 4.283 4.340 0.001 0.000 0.229 589 R C 2.343 178.359 176.300 -0.474 0.000 1.136 589 R CA 1.751 57.578 56.100 -0.456 0.000 0.952 589 R CB -0.854 29.151 30.300 -0.492 0.000 0.848 589 R HN 0.324 nan 8.270 nan 0.000 0.430 590 T N -0.667 113.735 114.554 -0.253 0.000 2.803 590 T HA -0.186 4.165 4.350 0.001 0.000 0.269 590 T C 1.708 176.336 174.700 -0.120 0.000 1.052 590 T CA 1.496 63.507 62.100 -0.149 0.000 1.136 590 T CB -0.130 68.704 68.868 -0.057 0.000 0.864 590 T HN 0.292 nan 8.240 nan 0.000 0.467 591 E N 0.096 120.227 120.200 -0.114 0.000 2.396 591 E HA -0.075 4.276 4.350 0.001 0.000 0.200 591 E C 2.353 178.905 176.600 -0.081 0.000 1.023 591 E CA 0.573 56.925 56.400 -0.079 0.000 0.857 591 E CB 0.049 29.710 29.700 -0.065 0.000 0.775 591 E HN 0.565 nan 8.360 nan 0.000 0.525 592 R N -0.796 119.624 120.500 -0.133 0.000 2.237 592 R HA 0.119 4.460 4.340 0.001 0.000 0.195 592 R C 2.144 178.406 176.300 -0.063 0.000 0.956 592 R CA 0.019 56.053 56.100 -0.111 0.000 1.029 592 R CB 0.210 30.409 30.300 -0.169 0.000 0.972 592 R HN 0.182 nan 8.270 nan 0.000 0.493 593 L N 0.525 121.709 121.223 -0.065 0.000 2.141 593 L HA -0.157 4.184 4.340 0.001 0.000 0.209 593 L C 2.497 179.385 176.870 0.030 0.000 1.094 593 L CA 0.960 55.812 54.840 0.020 0.000 0.763 593 L CB -0.475 41.615 42.059 0.051 0.000 0.908 593 L HN 0.207 nan 8.230 nan 0.000 0.437 594 S N 0.528 116.231 115.700 0.005 0.000 2.426 594 S HA -0.368 4.102 4.470 0.001 0.000 0.259 594 S C 1.622 176.240 174.600 0.029 0.000 1.096 594 S CA 2.458 60.663 58.200 0.009 0.000 1.219 594 S CB -0.457 62.739 63.200 -0.007 0.000 1.124 594 S HN 0.519 nan 8.310 nan 0.000 0.436 595 D N 0.784 121.201 120.400 0.029 0.000 2.347 595 D HA 0.041 4.681 4.640 0.001 0.000 0.215 595 D C 1.632 177.961 176.300 0.048 0.000 0.976 595 D CA 0.740 54.762 54.000 0.038 0.000 0.884 595 D CB -0.128 40.691 40.800 0.032 0.000 0.915 595 D HN 0.488 nan 8.370 nan 0.000 0.526 596 L N 0.328 121.586 121.223 0.058 0.000 2.610 596 L HA 0.045 4.386 4.340 0.001 0.000 0.232 596 L C 1.800 178.727 176.870 0.096 0.000 1.149 596 L CA 0.242 55.128 54.840 0.076 0.000 0.872 596 L CB -0.002 42.104 42.059 0.078 0.000 0.992 596 L HN -0.043 nan 8.230 nan 0.000 0.447 597 L N -1.118 120.150 121.223 0.074 0.000 2.769 597 L HA 0.211 4.552 4.340 0.001 0.000 0.240 597 L C 0.473 177.304 176.870 -0.066 0.000 1.163 597 L CA -0.070 54.803 54.840 0.054 0.000 0.962 597 L CB 0.245 42.372 42.059 0.113 0.000 1.258 597 L HN 0.152 nan 8.230 nan 0.000 0.513 598 D N -0.593 119.789 120.400 -0.029 0.000 2.255 598 D HA -0.032 4.609 4.640 0.001 0.000 0.249 598 D C 0.520 176.806 176.300 -0.023 0.000 1.078 598 D CA -0.322 53.658 54.000 -0.035 0.000 0.896 598 D CB 1.211 42.038 40.800 0.044 0.000 1.194 598 D HN 0.077 nan 8.370 nan 0.000 0.429 599 W N 2.557 123.862 121.300 0.009 0.000 2.331 599 W HA -0.183 4.478 4.660 0.001 0.000 0.291 599 W C 2.364 178.865 176.519 -0.030 0.000 1.214 599 W CA 0.264 57.584 57.345 -0.042 0.000 1.228 599 W CB 0.148 29.554 29.460 -0.090 0.000 1.135 599 W HN 0.440 nan 8.180 nan 0.000 0.537 600 K N -0.105 120.425 120.400 0.217 0.000 2.160 600 K HA -0.259 4.061 4.320 0.001 0.000 0.206 600 K C 1.947 178.620 176.600 0.122 0.000 1.047 600 K CA 1.817 58.182 56.287 0.130 0.000 0.930 600 K CB -0.292 32.259 32.500 0.086 0.000 0.720 600 K HN 0.241 nan 8.250 nan 0.000 0.450 601 R N 0.126 120.698 120.500 0.119 0.000 2.087 601 R HA 0.092 4.433 4.340 0.001 0.000 0.216 601 R C 2.159 178.542 176.300 0.138 0.000 1.114 601 R CA 0.496 56.662 56.100 0.110 0.000 1.002 601 R CB 0.119 30.472 30.300 0.088 0.000 0.903 601 R HN -0.017 nan 8.270 nan 0.000 0.445 602 M N 0.484 120.164 119.600 0.134 0.000 2.394 602 M HA 0.064 4.545 4.480 0.001 0.000 0.264 602 M C 2.139 178.642 176.300 0.338 0.000 1.073 602 M CA 1.313 56.688 55.300 0.125 0.000 1.111 602 M CB -0.570 31.920 32.600 -0.184 0.000 1.401 602 M HN 0.454 nan 8.290 nan 0.000 0.448 603 G N 1.073 110.127 108.800 0.424 0.000 2.450 603 G HA2 -0.185 3.776 3.960 0.001 0.000 0.220 603 G HA3 -0.185 3.776 3.960 0.001 0.000 0.220 603 G C 1.597 176.641 174.900 0.239 0.000 1.130 603 G CA 0.432 45.710 45.100 0.296 0.000 0.760 603 G HN 0.412 nan 8.290 nan 0.000 0.557 604 L N 0.281 121.623 121.223 0.198 0.000 2.211 604 L HA -0.159 4.182 4.340 0.001 0.000 0.216 604 L C 2.787 179.770 176.870 0.188 0.000 1.092 604 L CA 1.156 56.096 54.840 0.167 0.000 0.767 604 L CB -0.341 41.798 42.059 0.134 0.000 0.894 604 L HN 0.186 nan 8.230 nan 0.000 0.437 605 E N -0.705 119.633 120.200 0.231 0.000 2.112 605 E HA -0.148 4.203 4.350 0.001 0.000 0.190 605 E C 2.104 178.834 176.600 0.216 0.000 0.979 605 E CA 1.141 57.660 56.400 0.198 0.000 0.814 605 E CB -0.240 29.564 29.700 0.172 0.000 0.762 605 E HN 0.561 nan 8.360 nan 0.000 0.460 606 Y N 0.600 120.963 120.300 0.104 0.000 2.200 606 Y HA -0.196 4.355 4.550 0.001 0.000 0.290 606 Y C 2.515 178.486 175.900 0.119 0.000 1.137 606 Y CA 0.665 58.830 58.100 0.108 0.000 1.163 606 Y CB -0.204 38.286 38.460 0.049 0.000 0.988 606 Y HN -0.159 nan 8.280 nan 0.000 0.518 607 V N 0.529 120.614 119.914 0.285 0.000 2.231 607 V HA -0.398 3.722 4.120 0.001 0.000 0.248 607 V C 2.162 178.363 176.094 0.178 0.000 1.054 607 V CA 2.126 64.565 62.300 0.232 0.000 1.015 607 V CB -0.600 31.339 31.823 0.194 0.000 0.638 607 V HN 0.373 nan 8.190 nan 0.000 0.444 608 K N -0.344 120.141 120.400 0.141 0.000 2.113 608 K HA -0.211 4.110 4.320 0.001 0.000 0.208 608 K C 2.189 178.825 176.600 0.060 0.000 1.047 608 K CA 1.603 57.949 56.287 0.099 0.000 0.928 608 K CB -0.345 32.201 32.500 0.077 0.000 0.716 608 K HN 0.538 nan 8.250 nan 0.000 0.446 609 A N 1.248 124.092 122.820 0.038 0.000 1.878 609 A HA -0.081 4.240 4.320 0.001 0.000 0.213 609 A C 1.983 179.554 177.584 -0.023 0.000 1.192 609 A CA 0.731 52.749 52.037 -0.032 0.000 0.619 609 A CB -0.243 18.692 19.000 -0.108 0.000 0.837 609 A HN 0.167 nan 8.150 nan 0.000 0.446 610 R N -0.172 120.354 120.500 0.042 0.000 2.096 610 R HA -0.189 4.152 4.340 0.001 0.000 0.240 610 R C 2.426 178.758 176.300 0.054 0.000 1.139 610 R CA 1.771 57.903 56.100 0.054 0.000 0.952 610 R CB -0.499 29.900 30.300 0.165 0.000 0.854 610 R HN 0.648 nan 8.270 nan 0.000 0.436 611 Q N 0.509 120.381 119.800 0.119 0.000 2.084 611 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 611 Q C 2.286 178.290 176.000 0.007 0.000 0.978 611 Q CA 1.216 57.112 55.803 0.154 0.000 0.844 611 Q CB -0.261 28.618 28.738 0.235 0.000 0.898 611 Q HN 0.209 nan 8.270 nan 0.000 0.426 612 L N 0.842 122.038 121.223 -0.043 0.000 2.079 612 L HA -0.143 4.198 4.340 0.001 0.000 0.210 612 L C 2.168 178.944 176.870 -0.156 0.000 1.081 612 L CA 2.017 56.779 54.840 -0.131 0.000 0.752 612 L CB -0.694 41.310 42.059 -0.091 0.000 0.896 612 L HN 0.109 nan 8.230 nan 0.000 0.433 613 A N -0.413 122.338 122.820 -0.115 0.000 1.908 613 A HA -0.170 4.151 4.320 0.001 0.000 0.218 613 A C 2.230 179.711 177.584 -0.172 0.000 1.181 613 A CA 2.160 54.117 52.037 -0.133 0.000 0.627 613 A CB -0.853 18.083 19.000 -0.108 0.000 0.818 613 A HN 0.537 nan 8.150 nan 0.000 0.445 614 L N -1.403 119.751 121.223 -0.113 0.000 2.179 614 L HA -0.043 4.298 4.340 0.001 0.000 0.208 614 L C 2.612 179.404 176.870 -0.130 0.000 1.096 614 L CA 1.260 56.068 54.840 -0.053 0.000 0.779 614 L CB -0.344 41.821 42.059 0.178 0.000 0.922 614 L HN 0.390 nan 8.230 nan 0.000 0.443 615 R N 0.692 120.915 120.500 -0.462 0.000 2.189 615 R HA -0.071 4.269 4.340 0.001 0.000 0.223 615 R C 2.129 178.184 176.300 -0.408 0.000 1.092 615 R CA 1.336 56.885 56.100 -0.918 0.000 0.989 615 R CB -0.196 29.241 30.300 -1.440 0.000 0.876 615 R HN 0.200 nan 8.270 nan 0.000 0.457 616 R N -1.246 119.079 120.500 -0.291 0.000 2.173 616 R HA 0.167 4.508 4.340 0.001 0.000 0.208 616 R C 1.971 178.153 176.300 -0.197 0.000 1.035 616 R CA 0.935 56.914 56.100 -0.201 0.000 1.004 616 R CB 0.037 30.237 30.300 -0.168 0.000 0.917 616 R HN 0.415 nan 8.270 nan 0.000 0.462 617 G N -0.609 108.006 108.800 -0.308 0.000 2.453 617 G HA2 -0.121 3.840 3.960 0.001 0.000 0.215 617 G HA3 -0.121 3.840 3.960 0.001 0.000 0.215 617 G C 0.359 174.977 174.900 -0.470 0.000 1.147 617 G CA 0.262 45.059 45.100 -0.504 0.000 0.802 617 G HN 0.266 nan 8.290 nan 0.000 0.535 618 Y N -0.050 120.269 120.300 0.031 0.000 2.535 618 Y HA 0.290 4.841 4.550 0.001 0.000 0.351 618 Y C -1.859 174.097 175.900 0.094 0.000 1.050 618 Y CA -1.973 56.168 58.100 0.068 0.000 1.168 618 Y CB 1.910 40.431 38.460 0.102 0.000 1.116 618 Y HN 0.027 nan 8.280 nan 0.000 0.654 619 P HA -0.174 nan 4.420 nan 0.000 0.216 619 P C 0.782 178.197 177.300 0.193 0.000 1.150 619 P CA 1.707 64.880 63.100 0.122 0.000 0.837 619 P CB 0.471 32.209 31.700 0.065 0.000 0.786 620 D N -0.637 119.867 120.400 0.174 0.000 2.110 620 D HA -0.102 4.538 4.640 0.001 0.000 0.202 620 D C 2.016 178.406 176.300 0.149 0.000 0.975 620 D CA 0.977 55.060 54.000 0.138 0.000 0.839 620 D CB -0.549 40.310 40.800 0.097 0.000 0.996 620 D HN 0.331 nan 8.370 nan 0.000 0.464 621 Q N -0.172 119.729 119.800 0.167 0.000 2.226 621 Q HA -0.135 4.206 4.340 0.001 0.000 0.204 621 Q C 1.952 178.054 176.000 0.169 0.000 0.975 621 Q CA 0.721 56.606 55.803 0.137 0.000 0.866 621 Q CB -0.192 28.616 28.738 0.117 0.000 0.915 621 Q HN 0.267 nan 8.270 nan 0.000 0.440 622 F N 1.632 121.645 119.950 0.105 0.000 2.118 622 F HA -0.072 4.456 4.527 0.001 0.000 0.293 622 F C 2.615 178.454 175.800 0.065 0.000 1.102 622 F CA 1.160 59.215 58.000 0.093 0.000 1.247 622 F CB -0.018 39.039 39.000 0.095 0.000 1.017 622 F HN -0.156 nan 8.300 nan 0.000 0.475 623 R N 0.511 121.182 120.500 0.285 0.000 2.119 623 R HA -0.204 4.137 4.340 0.001 0.000 0.246 623 R C 2.005 178.335 176.300 0.050 0.000 1.146 623 R CA 2.064 58.262 56.100 0.164 0.000 0.962 623 R CB -0.355 30.029 30.300 0.139 0.000 0.863 623 R HN 0.303 nan 8.270 nan 0.000 0.442 624 E N 0.205 120.427 120.200 0.037 0.000 2.204 624 E HA -0.177 4.174 4.350 0.001 0.000 0.194 624 E C 1.772 178.346 176.600 -0.044 0.000 0.989 624 E CA 0.754 57.156 56.400 0.003 0.000 0.824 624 E CB -0.064 29.644 29.700 0.014 0.000 0.756 624 E HN 0.301 nan 8.360 nan 0.000 0.477 625 L N -0.059 121.099 121.223 -0.109 0.000 2.558 625 L HA -0.013 4.327 4.340 0.001 0.000 0.225 625 L C 1.715 178.459 176.870 -0.210 0.000 1.128 625 L CA 0.499 55.235 54.840 -0.173 0.000 0.868 625 L CB 0.584 42.491 42.059 -0.253 0.000 1.006 625 L HN -0.119 nan 8.230 nan 0.000 0.454 626 V N -2.388 117.415 119.914 -0.184 0.000 3.137 626 V HA 0.493 4.613 4.120 0.001 0.000 0.236 626 V C 1.555 177.623 176.094 -0.044 0.000 1.260 626 V CA 0.687 62.912 62.300 -0.125 0.000 1.244 626 V CB 0.635 32.386 31.823 -0.121 0.000 1.016 626 V HN 0.325 nan 8.190 nan 0.000 0.477 627 G N 1.125 109.913 108.800 -0.020 0.000 2.284 627 G HA2 -0.134 3.827 3.960 0.001 0.000 0.201 627 G HA3 -0.134 3.827 3.960 0.001 0.000 0.201 627 G C 0.088 175.003 174.900 0.024 0.000 0.998 627 G CA 0.206 45.308 45.100 0.003 0.000 0.651 627 G HN 0.656 nan 8.290 nan 0.000 0.489 628 E N 0.221 120.446 120.200 0.042 0.000 2.456 628 E HA 0.600 4.950 4.350 0.001 0.000 0.276 628 E C -0.833 175.829 176.600 0.102 0.000 0.981 628 E CA -1.068 55.369 56.400 0.062 0.000 0.814 628 E CB 0.863 30.596 29.700 0.055 0.000 1.382 628 E HN 0.339 nan 8.360 nan 0.000 0.459 629 E N 1.846 122.103 120.200 0.096 0.000 1.993 629 E HA 0.308 4.659 4.350 0.001 0.000 0.271 629 E C -0.323 176.339 176.600 0.104 0.000 1.008 629 E CA -0.436 56.033 56.400 0.115 0.000 0.814 629 E CB 0.481 30.228 29.700 0.079 0.000 1.098 629 E HN 0.283 nan 8.360 nan 0.000 0.407 630 L N 2.590 123.903 121.223 0.150 0.000 2.452 630 L HA 0.082 4.423 4.340 0.001 0.000 0.267 630 L C 0.841 177.740 176.870 0.048 0.000 1.188 630 L CA -0.465 54.444 54.840 0.116 0.000 0.821 630 L CB 0.336 42.510 42.059 0.191 0.000 1.102 630 L HN 0.558 nan 8.230 nan 0.000 0.470 631 N N 1.797 120.515 118.700 0.031 0.000 2.492 631 N HA -0.041 4.699 4.740 0.001 0.000 0.262 631 N C -0.320 175.173 175.510 -0.028 0.000 1.202 631 N CA -0.009 53.043 53.050 0.004 0.000 0.926 631 N CB 0.557 39.050 38.487 0.010 0.000 1.078 631 N HN 0.571 nan 8.380 nan 0.000 0.454 632 D N 0.480 120.853 120.400 -0.045 0.000 2.696 632 D HA 0.093 4.734 4.640 0.001 0.000 0.269 632 D C -0.238 176.026 176.300 -0.059 0.000 1.319 632 D CA -0.184 53.769 54.000 -0.079 0.000 0.826 632 D CB -0.374 40.360 40.800 -0.111 0.000 1.086 632 D HN 0.378 nan 8.370 nan 0.000 0.481 633 S N -0.588 115.089 115.700 -0.038 0.000 2.497 633 S HA 0.167 4.638 4.470 0.001 0.000 0.221 633 S C 0.756 175.338 174.600 -0.029 0.000 1.037 633 S CA -0.137 58.045 58.200 -0.029 0.000 0.920 633 S CB 0.236 63.426 63.200 -0.017 0.000 0.800 633 S HN 0.102 nan 8.310 nan 0.000 0.505 634 N N 0.541 119.225 118.700 -0.027 0.000 2.577 634 N HA 0.479 5.219 4.740 0.001 0.000 0.285 634 N C 0.489 175.982 175.510 -0.029 0.000 1.309 634 N CA -0.635 52.398 53.050 -0.027 0.000 0.798 634 N CB 0.893 39.371 38.487 -0.015 0.000 1.463 634 N HN 0.056 nan 8.380 nan 0.000 0.518 635 M N -0.505 119.077 119.600 -0.029 0.000 2.349 635 M HA 0.025 4.506 4.480 0.001 0.000 0.266 635 M C 0.067 176.370 176.300 0.005 0.000 1.076 635 M CA 1.136 56.425 55.300 -0.018 0.000 1.126 635 M CB -0.164 32.421 32.600 -0.025 0.000 1.392 635 M HN 0.303 nan 8.290 nan 0.000 0.440 636 D N 1.338 121.742 120.400 0.006 0.000 2.162 636 D HA 0.051 4.692 4.640 0.001 0.000 0.203 636 D C 2.154 178.465 176.300 0.019 0.000 0.967 636 D CA 1.175 55.186 54.000 0.019 0.000 0.840 636 D CB -0.060 40.751 40.800 0.019 0.000 0.972 636 D HN 0.302 nan 8.370 nan 0.000 0.482 637 A N 0.499 123.325 122.820 0.010 0.000 2.024 637 A HA -0.149 4.172 4.320 0.001 0.000 0.220 637 A C 2.056 179.651 177.584 0.019 0.000 1.164 637 A CA 0.886 52.930 52.037 0.011 0.000 0.643 637 A CB -0.481 18.519 19.000 0.000 0.000 0.806 637 A HN 0.214 nan 8.150 nan 0.000 0.451 638 L N -1.613 119.621 121.223 0.020 0.000 2.179 638 L HA 0.281 4.622 4.340 0.001 0.000 0.208 638 L C 1.340 178.249 176.870 0.065 0.000 1.096 638 L CA 1.352 56.215 54.840 0.039 0.000 0.779 638 L CB -0.450 41.626 42.059 0.029 0.000 0.922 638 L HN 0.404 nan 8.230 nan 0.000 0.443 639 A N 0.000 122.853 122.820 0.055 0.000 2.254 639 A HA 0.000 4.321 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 19.038 19.000 0.064 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486