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 3o3c_1_C DATA FIRST_RESID 2 DATA SEQUENCE SRDLQNHLLF ETATEVANRV GGIYSVLKSK APITVAQYKD HYHLIGPLNK DATA SEQUENCE ATYQNEVDIL DWKKPEAFSD EMRPVQHALQ TMESRGVHFV YGRWLIEGAP DATA SEQUENCE KVILFDLDSV RGYSNEWKGD LWSLVGIPSP ENDFETNDAI LLGYTVAWFL DATA SEQUENCE GEVAHLDSQH AIVAHFHEWL AGVALPLCRK RRIDVVTIFT THATLLGRYL DATA SEQUENCE CASGXXDFYN CLESVDVDHE AGRFGIYHRY CIERAAAHSA DVFTTVSQIT DATA SEQUENCE AFEAEHLLKR KPDGILPNGL NVIKFQXXXX XXXLHALKKE KINDFVRGHF DATA SEQUENCE HGCFDFDLDN TLYFFIAGRY EYKNKGADMF IEALARLNYR LKVSGSKKTV DATA SEQUENCE VAFIVMPAKN NSFTVEALKG QAEVRALENT VHEVTTSIGK RIFDHAIRYP DATA SEQUENCE XXXXXXXXXX XXXELLKSSD KVMLKRRILA LRRPEGQLPP IVTHNMVDDA DATA SEQUENCE NDLILNKIRQ VQLFNSPSDR VKMIFHPEFL NANNPILGLD YDEFVRGCHL DATA SEQUENCE GVFPSYYEPW GYTPAECTVM GVPSITTNVS GFGSYMEDLX XXXXAKDYGI DATA SEQUENCE YIVDRRFKAP DESVEQLVDY MEEFVKKTAA QAINQRNRTE RLSDLLDWKR DATA SEQUENCE MGLEYVKARQ LALRRGYPDQ FRELVGEELN DSNMDALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.536 174.600 -0.107 0.000 1.055 2 S CA 0.000 58.141 58.200 -0.098 0.000 1.107 2 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 3 R N 0.834 121.236 120.500 -0.164 0.000 2.720 3 R HA 0.497 4.863 4.340 0.044 0.000 0.272 3 R C -1.110 175.151 176.300 -0.064 0.000 0.991 3 R CA -0.991 55.037 56.100 -0.120 0.000 1.010 3 R CB 0.820 31.028 30.300 -0.153 0.000 1.141 3 R HN 0.454 nan 8.270 nan 0.000 0.494 4 D N 2.179 122.585 120.400 0.010 0.000 2.393 4 D HA 0.083 4.749 4.640 0.044 0.000 0.232 4 D C 1.075 177.473 176.300 0.163 0.000 1.192 4 D CA -0.059 53.983 54.000 0.069 0.000 0.882 4 D CB 0.710 41.555 40.800 0.074 0.000 1.038 4 D HN 0.408 nan 8.370 nan 0.000 0.499 5 L N 2.439 123.753 121.223 0.151 0.000 2.141 5 L HA -0.165 4.201 4.340 0.044 0.000 0.209 5 L C 2.110 179.148 176.870 0.280 0.000 1.094 5 L CA 0.775 55.752 54.840 0.228 0.000 0.763 5 L CB -0.377 41.816 42.059 0.223 0.000 0.908 5 L HN 0.426 nan 8.230 nan 0.000 0.437 6 Q N 1.664 121.581 119.800 0.195 0.000 1.948 6 Q HA -0.192 4.174 4.340 0.044 0.000 0.205 6 Q C 0.997 177.144 176.000 0.245 0.000 0.992 6 Q CA 1.697 57.605 55.803 0.176 0.000 0.849 6 Q CB -0.257 28.533 28.738 0.086 0.000 0.918 6 Q HN 0.505 nan 8.270 nan 0.000 0.421 7 N N 0.716 119.545 118.700 0.215 0.000 2.558 7 N HA 0.171 4.937 4.740 0.044 0.000 0.233 7 N C -1.157 174.567 175.510 0.357 0.000 1.038 7 N CA -0.316 52.859 53.050 0.208 0.000 0.934 7 N CB 0.183 38.788 38.487 0.197 0.000 1.175 7 N HN 0.419 nan 8.380 nan 0.000 0.512 8 H N 1.019 120.273 119.070 0.306 0.000 2.896 8 H HA 0.719 5.300 4.556 0.042 0.000 0.318 8 H C -1.194 174.273 175.328 0.231 0.000 1.409 8 H CA -1.213 55.012 56.048 0.295 0.000 1.328 8 H CB 0.598 30.519 29.762 0.265 0.000 1.940 8 H HN 0.220 nan 8.280 nan 0.000 0.665 9 L N 0.773 122.164 121.223 0.280 0.000 2.334 9 L HA 0.390 4.757 4.340 0.044 0.000 0.276 9 L C -1.301 175.557 176.870 -0.021 0.000 1.014 9 L CA -0.722 54.124 54.840 0.011 0.000 0.815 9 L CB 1.759 43.782 42.059 -0.060 0.000 1.268 9 L HN 0.624 nan 8.230 nan 0.000 0.428 10 L N 3.815 124.860 121.223 -0.297 0.000 2.349 10 L HA 0.608 4.975 4.340 0.044 0.000 0.278 10 L C -1.586 175.034 176.870 -0.416 0.000 0.996 10 L CA -0.042 54.641 54.840 -0.261 0.000 0.825 10 L CB 1.011 42.818 42.059 -0.420 0.000 1.243 10 L HN 0.293 nan 8.230 nan 0.000 0.412 11 F N 3.480 123.472 119.950 0.069 0.000 2.382 11 F HA 0.452 5.007 4.527 0.046 0.000 0.361 11 F C 0.345 176.091 175.800 -0.089 0.000 1.109 11 F CA -0.556 57.438 58.000 -0.010 0.000 1.031 11 F CB 1.365 40.378 39.000 0.022 0.000 1.234 11 F HN 0.461 nan 8.300 nan 0.000 0.445 12 E N 1.987 122.223 120.200 0.060 0.000 2.174 12 E HA 0.456 4.833 4.350 0.044 0.000 0.282 12 E C -0.892 175.674 176.600 -0.055 0.000 0.992 12 E CA -0.325 56.093 56.400 0.030 0.000 0.803 12 E CB 1.028 30.827 29.700 0.165 0.000 1.090 12 E HN 0.485 nan 8.360 nan 0.000 0.396 13 T N 2.405 116.868 114.554 -0.151 0.000 2.792 13 T HA 0.728 5.104 4.350 0.044 0.000 0.280 13 T C -0.965 173.773 174.700 0.064 0.000 0.990 13 T CA -0.604 61.433 62.100 -0.105 0.000 0.960 13 T CB 1.480 70.200 68.868 -0.247 0.000 0.939 13 T HN 0.510 nan 8.240 nan 0.000 0.439 14 A N 1.925 124.779 122.820 0.056 0.000 2.606 14 A HA 0.680 5.027 4.320 0.044 0.000 0.293 14 A C 0.998 178.582 177.584 0.001 0.000 1.082 14 A CA -0.790 51.295 52.037 0.081 0.000 0.685 14 A CB 0.668 19.724 19.000 0.093 0.000 1.284 14 A HN 0.612 nan 8.150 nan 0.000 0.408 15 T N 0.215 114.763 114.554 -0.010 0.000 2.881 15 T HA -0.080 4.296 4.350 0.044 0.000 0.270 15 T C 1.207 175.873 174.700 -0.056 0.000 1.068 15 T CA 2.310 64.385 62.100 -0.042 0.000 1.131 15 T CB -0.078 68.748 68.868 -0.071 0.000 0.871 15 T HN 0.691 nan 8.240 nan 0.000 0.479 16 E N 0.693 120.859 120.200 -0.056 0.000 2.385 16 E HA 0.049 4.426 4.350 0.044 0.000 0.194 16 E C 2.163 178.672 176.600 -0.153 0.000 1.013 16 E CA 0.140 56.520 56.400 -0.033 0.000 0.866 16 E CB -0.489 29.232 29.700 0.035 0.000 0.832 16 E HN 0.406 nan 8.360 nan 0.000 0.500 17 V N 0.434 120.175 119.914 -0.288 0.000 2.300 17 V HA -0.402 3.744 4.120 0.044 0.000 0.247 17 V C 1.657 177.064 176.094 -1.146 0.000 1.018 17 V CA 2.064 63.979 62.300 -0.641 0.000 1.089 17 V CB -1.339 30.177 31.823 -0.511 0.000 0.741 17 V HN 0.301 nan 8.190 nan 0.000 0.500 18 A N 2.431 124.748 122.820 -0.839 0.000 3.003 18 A HA 0.593 4.939 4.320 0.044 0.000 0.301 18 A C 0.335 177.822 177.584 -0.163 0.000 1.280 18 A CA 0.170 51.704 52.037 -0.838 0.000 0.973 18 A CB -1.430 17.129 19.000 -0.735 0.000 1.110 18 A HN 1.160 nan 8.150 nan 0.000 0.590 19 N N -1.529 117.195 118.700 0.039 0.000 2.578 19 N HA 0.229 4.996 4.740 0.044 0.000 0.282 19 N C -0.802 174.822 175.510 0.189 0.000 1.119 19 N CA -0.724 52.412 53.050 0.144 0.000 0.948 19 N CB 0.852 39.358 38.487 0.032 0.000 1.546 19 N HN 0.150 nan 8.380 nan 0.000 0.525 20 R N 2.342 122.780 120.500 -0.103 0.000 2.446 20 R HA 0.132 4.499 4.340 0.044 0.000 0.325 20 R C -0.440 175.773 176.300 -0.146 0.000 0.997 20 R CA 0.246 56.085 56.100 -0.434 0.000 1.010 20 R CB 0.304 30.116 30.300 -0.813 0.000 0.946 20 R HN 0.687 nan 8.270 nan 0.000 0.422 21 V N 3.127 123.011 119.914 -0.050 0.000 3.193 21 V HA 0.248 4.395 4.120 0.044 0.000 0.237 21 V C 0.821 176.909 176.094 -0.009 0.000 1.447 21 V CA 0.703 62.988 62.300 -0.025 0.000 1.227 21 V CB 0.910 32.730 31.823 -0.004 0.000 1.040 21 V HN 0.861 nan 8.190 nan 0.000 0.458 22 G N -0.672 108.135 108.800 0.012 0.000 3.107 22 G HA2 0.521 4.507 3.960 0.044 0.000 0.232 22 G HA3 0.521 4.507 3.960 0.044 0.000 0.232 22 G C 0.738 175.664 174.900 0.042 0.000 1.339 22 G CA 0.302 45.416 45.100 0.024 0.000 1.033 22 G HN 0.234 nan 8.290 nan 0.000 0.567 23 G N -0.954 107.878 108.800 0.054 0.000 2.887 23 G HA2 0.113 4.100 3.960 0.044 0.000 0.211 23 G HA3 0.113 4.100 3.960 0.044 0.000 0.211 23 G C 1.451 176.402 174.900 0.086 0.000 1.152 23 G CA 0.046 45.203 45.100 0.094 0.000 0.769 23 G HN 0.420 nan 8.290 nan 0.000 0.541 24 I N -0.114 120.444 120.570 -0.020 0.000 2.361 24 I HA -0.202 3.994 4.170 0.044 0.000 0.251 24 I C 2.344 178.467 176.117 0.010 0.000 1.133 24 I CA 1.048 62.264 61.300 -0.140 0.000 1.413 24 I CB -0.313 37.518 38.000 -0.283 0.000 1.073 24 I HN 0.285 nan 8.210 nan 0.000 0.424 25 Y N 1.926 122.207 120.300 -0.033 0.000 2.102 25 Y HA -0.385 4.191 4.550 0.044 0.000 0.280 25 Y C 2.836 178.784 175.900 0.080 0.000 1.178 25 Y CA 2.316 60.451 58.100 0.058 0.000 1.146 25 Y CB -0.193 38.299 38.460 0.053 0.000 0.968 25 Y HN 0.065 nan 8.280 nan 0.000 0.504 26 S N -0.361 115.535 115.700 0.327 0.000 2.348 26 S HA -0.225 4.271 4.470 0.044 0.000 0.221 26 S C 2.025 176.663 174.600 0.063 0.000 1.033 26 S CA 1.472 59.759 58.200 0.144 0.000 1.010 26 S CB -0.846 62.338 63.200 -0.026 0.000 0.891 26 S HN 0.364 nan 8.310 nan 0.000 0.442 27 V N 2.616 122.608 119.914 0.131 0.000 2.220 27 V HA -0.266 3.881 4.120 0.044 0.000 0.250 27 V C 2.271 178.379 176.094 0.024 0.000 1.056 27 V CA 2.059 64.477 62.300 0.197 0.000 1.016 27 V CB -0.977 30.939 31.823 0.156 0.000 0.639 27 V HN 0.424 nan 8.190 nan 0.000 0.446 28 L N -0.165 121.017 121.223 -0.068 0.000 2.042 28 L HA -0.260 4.107 4.340 0.044 0.000 0.210 28 L C 2.628 179.418 176.870 -0.133 0.000 1.076 28 L CA 2.342 57.121 54.840 -0.100 0.000 0.749 28 L CB -0.742 41.311 42.059 -0.010 0.000 0.893 28 L HN 0.413 nan 8.230 nan 0.000 0.432 29 K N 0.407 120.700 120.400 -0.179 0.000 2.097 29 K HA -0.179 4.168 4.320 0.044 0.000 0.206 29 K C 2.174 178.574 176.600 -0.334 0.000 1.049 29 K CA 1.790 57.800 56.287 -0.462 0.000 0.933 29 K CB -0.032 32.131 32.500 -0.561 0.000 0.717 29 K HN 0.367 nan 8.250 nan 0.000 0.442 30 S N -0.301 115.304 115.700 -0.158 0.000 2.528 30 S HA 0.017 4.514 4.470 0.044 0.000 0.219 30 S C 1.708 176.164 174.600 -0.241 0.000 0.985 30 S CA 0.308 58.491 58.200 -0.028 0.000 0.914 30 S CB 0.211 63.555 63.200 0.240 0.000 0.776 30 S HN 0.322 nan 8.310 nan 0.000 0.526 31 K N 0.836 120.861 120.400 -0.625 0.000 2.356 31 K HA 0.360 4.707 4.320 0.044 0.000 0.195 31 K C 2.079 178.238 176.600 -0.736 0.000 1.037 31 K CA 0.586 56.075 56.287 -1.330 0.000 1.014 31 K CB -0.306 31.261 32.500 -1.554 0.000 0.815 31 K HN 0.378 nan 8.250 nan 0.000 0.507 32 A N 2.421 124.974 122.820 -0.445 0.000 1.859 32 A HA -0.104 4.242 4.320 0.044 0.000 0.217 32 A C -0.711 176.710 177.584 -0.271 0.000 1.198 32 A CA 1.260 53.128 52.037 -0.282 0.000 0.629 32 A CB -1.578 17.279 19.000 -0.238 0.000 0.830 32 A HN 0.246 nan 8.150 nan 0.000 0.446 33 P HA -0.182 nan 4.420 nan 0.000 0.216 33 P C 1.437 178.629 177.300 -0.179 0.000 1.157 33 P CA 1.224 64.216 63.100 -0.181 0.000 0.880 33 P CB -0.071 31.544 31.700 -0.142 0.000 0.791 34 I N -0.771 119.662 120.570 -0.229 0.000 2.286 34 I HA -0.160 4.037 4.170 0.044 0.000 0.245 34 I C 2.096 178.078 176.117 -0.226 0.000 1.104 34 I CA 2.033 63.216 61.300 -0.194 0.000 1.397 34 I CB -1.282 36.621 38.000 -0.161 0.000 1.072 34 I HN 0.033 nan 8.210 nan 0.000 0.417 35 T N -3.148 111.209 114.554 -0.329 0.000 3.043 35 T HA 0.002 4.378 4.350 0.044 0.000 0.263 35 T C 1.888 176.414 174.700 -0.289 0.000 1.094 35 T CA 1.018 62.919 62.100 -0.332 0.000 1.127 35 T CB -0.639 67.869 68.868 -0.599 0.000 0.905 35 T HN 0.076 nan 8.240 nan 0.000 0.490 36 V N 1.803 121.574 119.914 -0.237 0.000 2.453 36 V HA 0.059 4.205 4.120 0.044 0.000 0.247 36 V C 3.240 179.278 176.094 -0.094 0.000 1.048 36 V CA 1.410 63.654 62.300 -0.093 0.000 1.049 36 V CB -1.258 30.532 31.823 -0.054 0.000 0.672 36 V HN 0.676 nan 8.190 nan 0.000 0.457 37 A N -0.725 122.021 122.820 -0.124 0.000 1.908 37 A HA -0.326 4.020 4.320 0.044 0.000 0.218 37 A C 2.243 179.735 177.584 -0.154 0.000 1.181 37 A CA 2.358 54.323 52.037 -0.119 0.000 0.627 37 A CB -0.491 18.442 19.000 -0.112 0.000 0.818 37 A HN 0.602 nan 8.150 nan 0.000 0.445 38 Q N -1.914 117.763 119.800 -0.205 0.000 2.020 38 Q HA -0.134 4.233 4.340 0.044 0.000 0.198 38 Q C 1.458 177.203 176.000 -0.425 0.000 0.974 38 Q CA 1.580 57.171 55.803 -0.354 0.000 0.829 38 Q CB -0.128 28.303 28.738 -0.511 0.000 0.894 38 Q HN 0.748 nan 8.270 nan 0.000 0.433 39 Y N 0.274 120.452 120.300 -0.205 0.000 2.466 39 Y HA 0.107 4.682 4.550 0.042 0.000 0.272 39 Y C 1.105 176.912 175.900 -0.154 0.000 1.169 39 Y CA -0.020 57.965 58.100 -0.192 0.000 1.285 39 Y CB 0.329 38.702 38.460 -0.144 0.000 1.078 39 Y HN 0.091 nan 8.280 nan 0.000 0.523 40 K N 0.259 120.646 120.400 -0.023 0.000 1.783 40 K HA -0.317 4.029 4.320 0.044 0.000 0.115 40 K C 0.533 177.166 176.600 0.055 0.000 1.071 40 K CA 2.240 58.521 56.287 -0.010 0.000 0.377 40 K CB -1.126 31.340 32.500 -0.057 0.000 0.613 40 K HN 0.161 nan 8.250 nan 0.000 0.922 41 D N -0.415 120.036 120.400 0.086 0.000 2.319 41 D HA 0.034 4.701 4.640 0.044 0.000 0.230 41 D C 0.767 177.191 176.300 0.207 0.000 1.094 41 D CA 0.376 54.433 54.000 0.095 0.000 0.856 41 D CB -0.066 40.793 40.800 0.099 0.000 0.915 41 D HN 0.315 nan 8.370 nan 0.000 0.517 42 H N -1.227 117.841 119.070 -0.004 0.000 2.553 42 H HA 0.058 4.641 4.556 0.045 0.000 0.265 42 H C -0.265 175.018 175.328 -0.075 0.000 0.964 42 H CA 0.068 56.101 56.048 -0.024 0.000 1.156 42 H CB -0.133 29.606 29.762 -0.038 0.000 1.411 42 H HN 0.132 nan 8.280 nan 0.000 0.558 43 Y N 1.205 121.427 120.300 -0.130 0.000 2.331 43 Y HA 0.384 4.964 4.550 0.050 0.000 0.338 43 Y C -0.996 174.690 175.900 -0.357 0.000 0.976 43 Y CA -1.314 56.630 58.100 -0.260 0.000 1.137 43 Y CB 0.250 38.600 38.460 -0.183 0.000 1.172 43 Y HN 0.057 nan 8.280 nan 0.000 0.478 44 H N 5.109 123.796 119.070 -0.638 0.000 2.572 44 H HA 0.513 5.095 4.556 0.045 0.000 0.359 44 H C -1.125 173.856 175.328 -0.579 0.000 1.134 44 H CA -0.742 55.029 56.048 -0.462 0.000 1.187 44 H CB 1.750 31.558 29.762 0.077 0.000 1.597 44 H HN 0.680 nan 8.280 nan 0.000 0.524 45 L N 3.748 124.725 121.223 -0.410 0.000 2.312 45 L HA 0.439 4.805 4.340 0.044 0.000 0.281 45 L C -0.461 176.308 176.870 -0.169 0.000 1.070 45 L CA -0.285 54.393 54.840 -0.270 0.000 0.805 45 L CB 0.777 42.698 42.059 -0.231 0.000 1.174 45 L HN 0.448 nan 8.230 nan 0.000 0.434 46 I N 1.935 122.425 120.570 -0.132 0.000 2.509 46 I HA 0.773 4.970 4.170 0.044 0.000 0.293 46 I C 0.279 176.327 176.117 -0.115 0.000 1.020 46 I CA -0.377 60.835 61.300 -0.148 0.000 1.088 46 I CB 2.037 39.975 38.000 -0.103 0.000 1.267 46 I HN 0.668 nan 8.210 nan 0.000 0.430 47 G N 5.147 113.876 108.800 -0.117 0.000 2.550 47 G HA2 0.530 4.516 3.960 0.044 0.000 0.293 47 G HA3 0.530 4.516 3.960 0.044 0.000 0.293 47 G C -3.267 171.613 174.900 -0.033 0.000 1.402 47 G CA -0.897 44.159 45.100 -0.073 0.000 0.784 47 G HN 0.276 nan 8.290 nan 0.000 0.482 48 P HA 0.310 nan 4.420 nan 0.000 0.276 48 P C -0.309 176.961 177.300 -0.050 0.000 1.230 48 P CA -0.341 62.763 63.100 0.007 0.000 0.776 48 P CB 1.762 33.469 31.700 0.013 0.000 0.888 49 L N 3.442 124.629 121.223 -0.059 0.000 2.410 49 L HA 0.278 4.645 4.340 0.044 0.000 0.273 49 L C 0.262 177.076 176.870 -0.092 0.000 1.152 49 L CA 0.161 54.921 54.840 -0.133 0.000 0.855 49 L CB -0.199 41.728 42.059 -0.221 0.000 1.129 49 L HN 0.289 nan 8.230 nan 0.000 0.463 50 N N 3.851 122.512 118.700 -0.066 0.000 2.609 50 N HA 0.176 4.942 4.740 0.044 0.000 0.234 50 N C 0.257 175.800 175.510 0.054 0.000 1.001 50 N CA -0.190 52.859 53.050 -0.003 0.000 0.926 50 N CB 0.731 39.230 38.487 0.021 0.000 1.130 50 N HN 0.644 nan 8.380 nan 0.000 0.510 51 K N 1.609 122.021 120.400 0.020 0.000 2.519 51 K HA -0.048 4.298 4.320 0.044 0.000 0.196 51 K C 1.118 177.847 176.600 0.215 0.000 1.041 51 K CA 0.986 57.330 56.287 0.096 0.000 0.954 51 K CB 0.208 32.724 32.500 0.027 0.000 0.774 51 K HN 0.560 nan 8.250 nan 0.000 0.480 52 A N 0.456 123.360 122.820 0.140 0.000 2.044 52 A HA -0.038 4.308 4.320 0.044 0.000 0.213 52 A C 1.994 179.627 177.584 0.082 0.000 1.169 52 A CA 1.301 53.393 52.037 0.092 0.000 0.724 52 A CB 0.069 19.098 19.000 0.047 0.000 0.840 52 A HN 0.352 nan 8.150 nan 0.000 0.463 53 T N -4.404 110.219 114.554 0.116 0.000 2.966 53 T HA 0.007 4.383 4.350 0.044 0.000 0.254 53 T C 1.676 176.417 174.700 0.067 0.000 0.961 53 T CA 0.678 62.817 62.100 0.065 0.000 0.915 53 T CB -0.805 68.095 68.868 0.054 0.000 1.186 53 T HN 0.551 nan 8.240 nan 0.000 0.505 54 Y N 2.052 122.342 120.300 -0.016 0.000 2.241 54 Y HA -0.032 4.544 4.550 0.043 0.000 0.286 54 Y C 2.239 178.136 175.900 -0.006 0.000 1.166 54 Y CA 1.276 59.360 58.100 -0.027 0.000 1.203 54 Y CB -0.669 37.764 38.460 -0.046 0.000 0.977 54 Y HN 0.184 nan 8.280 nan 0.000 0.529 55 Q N 0.369 119.720 119.800 -0.748 0.000 2.437 55 Q HA -0.107 4.260 4.340 0.044 0.000 0.210 55 Q C 0.907 176.755 176.000 -0.253 0.000 0.972 55 Q CA 0.947 56.364 55.803 -0.643 0.000 0.903 55 Q CB -0.155 28.238 28.738 -0.575 0.000 0.967 55 Q HN 0.635 nan 8.270 nan 0.000 0.486 56 N N 0.066 118.685 118.700 -0.136 0.000 2.356 56 N HA -0.013 4.753 4.740 0.044 0.000 0.178 56 N C 0.840 176.358 175.510 0.013 0.000 1.075 56 N CA 0.564 53.584 53.050 -0.051 0.000 0.889 56 N CB 0.510 38.981 38.487 -0.025 0.000 0.999 56 N HN 0.301 nan 8.380 nan 0.000 0.464 57 E N -0.216 120.017 120.200 0.054 0.000 2.490 57 E HA 0.183 4.560 4.350 0.044 0.000 0.209 57 E C -0.386 176.343 176.600 0.215 0.000 0.971 57 E CA 0.145 56.658 56.400 0.188 0.000 0.988 57 E CB 1.603 31.483 29.700 0.299 0.000 1.029 57 E HN -0.074 nan 8.360 nan 0.000 0.496 58 V N 2.442 122.409 119.914 0.090 0.000 2.444 58 V HA 0.124 4.270 4.120 0.044 0.000 0.294 58 V C -0.577 175.536 176.094 0.032 0.000 1.022 58 V CA -0.978 61.372 62.300 0.084 0.000 0.850 58 V CB 1.729 33.603 31.823 0.084 0.000 0.992 58 V HN -0.024 nan 8.190 nan 0.000 0.426 59 D N 4.796 125.216 120.400 0.032 0.000 2.348 59 D HA 0.188 4.855 4.640 0.044 0.000 0.259 59 D C 0.168 176.482 176.300 0.024 0.000 1.296 59 D CA 0.161 54.168 54.000 0.012 0.000 0.931 59 D CB 0.324 41.124 40.800 0.000 0.000 1.067 59 D HN 0.431 nan 8.370 nan 0.000 0.503 60 I N 4.281 124.875 120.570 0.040 0.000 2.588 60 I HA 0.067 4.264 4.170 0.044 0.000 0.283 60 I C 0.350 176.524 176.117 0.096 0.000 1.119 60 I CA -0.114 61.237 61.300 0.085 0.000 1.419 60 I CB 0.541 38.605 38.000 0.105 0.000 1.394 60 I HN 0.234 nan 8.210 nan 0.000 0.562 61 L N 5.002 126.322 121.223 0.160 0.000 2.341 61 L HA 0.400 4.766 4.340 0.044 0.000 0.267 61 L C -0.590 176.451 176.870 0.285 0.000 1.009 61 L CA -0.903 54.056 54.840 0.199 0.000 0.819 61 L CB 1.928 44.129 42.059 0.236 0.000 1.323 61 L HN 0.447 nan 8.230 nan 0.000 0.425 62 D N 1.441 121.950 120.400 0.182 0.000 2.365 62 D HA 0.092 4.758 4.640 0.044 0.000 0.237 62 D C 0.620 176.999 176.300 0.131 0.000 1.190 62 D CA -0.319 53.734 54.000 0.089 0.000 0.867 62 D CB 0.616 41.404 40.800 -0.020 0.000 1.050 62 D HN 0.413 nan 8.370 nan 0.000 0.491 63 W N 3.622 125.002 121.300 0.132 0.000 3.256 63 W HA 0.165 4.852 4.660 0.044 0.000 0.269 63 W C 0.409 177.014 176.519 0.144 0.000 1.310 63 W CA -0.320 57.082 57.345 0.096 0.000 1.673 63 W CB -0.254 29.189 29.460 -0.029 0.000 1.115 63 W HN 0.291 nan 8.180 nan 0.000 0.686 64 K N 1.396 121.536 120.400 -0.434 0.000 2.284 64 K HA 0.043 4.389 4.320 0.044 0.000 0.198 64 K C 0.810 177.329 176.600 -0.136 0.000 1.048 64 K CA 0.311 56.340 56.287 -0.429 0.000 0.987 64 K CB 0.104 32.192 32.500 -0.687 0.000 0.800 64 K HN -0.072 nan 8.250 nan 0.000 0.486 65 K N 1.713 122.067 120.400 -0.075 0.000 2.489 65 K HA -0.021 4.326 4.320 0.044 0.000 0.278 65 K C -2.136 174.494 176.600 0.051 0.000 1.000 65 K CA -0.970 55.309 56.287 -0.013 0.000 1.012 65 K CB 0.243 32.743 32.500 -0.000 0.000 0.903 65 K HN -0.171 nan 8.250 nan 0.000 0.485 66 P HA -0.175 nan 4.420 nan 0.000 0.218 66 P C 0.374 177.733 177.300 0.097 0.000 1.146 66 P CA 1.262 64.404 63.100 0.071 0.000 0.813 66 P CB 0.258 31.986 31.700 0.048 0.000 0.778 67 E N -0.638 119.606 120.200 0.074 0.000 2.274 67 E HA -0.038 4.338 4.350 0.044 0.000 0.194 67 E C 2.051 178.693 176.600 0.070 0.000 0.996 67 E CA 0.895 57.334 56.400 0.066 0.000 0.840 67 E CB -0.816 28.908 29.700 0.039 0.000 0.772 67 E HN 0.151 nan 8.360 nan 0.000 0.491 68 A N 0.045 122.921 122.820 0.094 0.000 2.070 68 A HA -0.062 4.284 4.320 0.044 0.000 0.220 68 A C 0.240 177.641 177.584 -0.305 0.000 1.159 68 A CA 0.959 52.978 52.037 -0.029 0.000 0.656 68 A CB -0.165 18.872 19.000 0.061 0.000 0.800 68 A HN 0.182 nan 8.150 nan 0.000 0.453 69 F N -0.873 119.118 119.950 0.067 0.000 2.569 69 F HA 0.397 4.950 4.527 0.044 0.000 0.312 69 F C 0.738 176.571 175.800 0.055 0.000 1.109 69 F CA -0.501 57.540 58.000 0.068 0.000 0.919 69 F CB 1.653 40.667 39.000 0.023 0.000 1.211 69 F HN 0.050 nan 8.300 nan 0.000 0.446 70 S N 0.576 116.412 115.700 0.227 0.000 2.569 70 S HA 0.002 4.498 4.470 0.044 0.000 0.274 70 S C 0.666 175.365 174.600 0.164 0.000 1.353 70 S CA -0.397 57.904 58.200 0.168 0.000 1.023 70 S CB 0.718 64.015 63.200 0.162 0.000 0.876 70 S HN 0.647 nan 8.310 nan 0.000 0.540 71 D N 1.063 121.537 120.400 0.125 0.000 2.144 71 D HA -0.122 4.544 4.640 0.044 0.000 0.200 71 D C 2.046 178.411 176.300 0.110 0.000 0.978 71 D CA 1.746 55.808 54.000 0.104 0.000 0.833 71 D CB -0.395 40.455 40.800 0.084 0.000 0.961 71 D HN 0.968 nan 8.370 nan 0.000 0.470 72 E N -0.190 120.090 120.200 0.133 0.000 2.268 72 E HA -0.133 4.243 4.350 0.044 0.000 0.195 72 E C 1.402 178.117 176.600 0.191 0.000 0.995 72 E CA 0.729 57.231 56.400 0.170 0.000 0.836 72 E CB -0.026 29.811 29.700 0.227 0.000 0.763 72 E HN 0.106 nan 8.360 nan 0.000 0.491 73 M N 0.315 119.994 119.600 0.131 0.000 2.428 73 M HA 0.192 4.699 4.480 0.044 0.000 0.239 73 M C 1.349 177.684 176.300 0.058 0.000 1.121 73 M CA 0.050 55.416 55.300 0.109 0.000 1.019 73 M CB 0.103 32.821 32.600 0.197 0.000 1.485 73 M HN 0.039 nan 8.290 nan 0.000 0.484 74 R N 1.147 121.652 120.500 0.008 0.000 2.159 74 R HA -0.183 4.184 4.340 0.044 0.000 0.249 74 R C -0.703 175.404 176.300 -0.321 0.000 1.136 74 R CA 1.884 57.873 56.100 -0.186 0.000 0.951 74 R CB -2.395 27.877 30.300 -0.048 0.000 0.876 74 R HN 0.230 nan 8.270 nan 0.000 0.440 75 P HA -0.135 nan 4.420 nan 0.000 0.216 75 P C 1.602 178.806 177.300 -0.160 0.000 1.157 75 P CA 1.200 64.279 63.100 -0.034 0.000 0.880 75 P CB -0.131 31.582 31.700 0.022 0.000 0.791 76 V N -0.365 119.431 119.914 -0.195 0.000 2.392 76 V HA -0.288 3.858 4.120 0.044 0.000 0.249 76 V C 2.687 178.496 176.094 -0.474 0.000 1.059 76 V CA 1.968 64.125 62.300 -0.238 0.000 1.051 76 V CB -1.239 30.566 31.823 -0.029 0.000 0.658 76 V HN 0.214 nan 8.190 nan 0.000 0.455 77 Q N -0.463 118.792 119.800 -0.908 0.000 2.046 77 Q HA -0.233 4.133 4.340 0.044 0.000 0.200 77 Q C 2.235 178.019 176.000 -0.361 0.000 0.975 77 Q CA 2.129 57.341 55.803 -0.985 0.000 0.836 77 Q CB -0.150 27.837 28.738 -1.252 0.000 0.896 77 Q HN 0.807 nan 8.270 nan 0.000 0.428 78 H N -0.571 118.386 119.070 -0.188 0.000 2.387 78 H HA -0.071 4.511 4.556 0.044 0.000 0.299 78 H C 2.010 177.307 175.328 -0.051 0.000 1.090 78 H CA 0.847 56.859 56.048 -0.061 0.000 1.332 78 H CB 0.006 29.734 29.762 -0.057 0.000 1.386 78 H HN 0.419 nan 8.280 nan 0.000 0.516 79 A N 1.108 123.908 122.820 -0.033 0.000 1.865 79 A HA -0.181 4.166 4.320 0.044 0.000 0.217 79 A C 2.309 179.847 177.584 -0.076 0.000 1.191 79 A CA 1.535 53.500 52.037 -0.120 0.000 0.623 79 A CB -0.854 17.928 19.000 -0.363 0.000 0.826 79 A HN 0.311 nan 8.150 nan 0.000 0.444 80 L N -0.805 120.351 121.223 -0.112 0.000 2.046 80 L HA -0.265 4.101 4.340 0.044 0.000 0.208 80 L C 2.942 179.832 176.870 0.033 0.000 1.077 80 L CA 1.598 56.281 54.840 -0.262 0.000 0.747 80 L CB -0.703 40.976 42.059 -0.632 0.000 0.896 80 L HN 0.489 nan 8.230 nan 0.000 0.432 81 Q N -0.438 119.523 119.800 0.269 0.000 2.029 81 Q HA -0.257 4.109 4.340 0.044 0.000 0.209 81 Q C 2.215 178.376 176.000 0.268 0.000 0.999 81 Q CA 2.436 58.492 55.803 0.422 0.000 0.857 81 Q CB -0.588 28.356 28.738 0.344 0.000 0.926 81 Q HN 0.493 nan 8.270 nan 0.000 0.415 82 T N 1.231 115.888 114.554 0.171 0.000 2.699 82 T HA -0.170 4.206 4.350 0.044 0.000 0.268 82 T C 1.838 176.604 174.700 0.110 0.000 1.036 82 T CA 1.336 63.518 62.100 0.137 0.000 1.147 82 T CB -0.125 68.810 68.868 0.112 0.000 0.862 82 T HN 0.217 nan 8.240 nan 0.000 0.446 83 M N 0.778 120.396 119.600 0.029 0.000 2.159 83 M HA -0.093 4.414 4.480 0.044 0.000 0.263 83 M C 2.360 178.703 176.300 0.071 0.000 1.063 83 M CA 1.450 56.688 55.300 -0.103 0.000 1.110 83 M CB -0.859 31.622 32.600 -0.197 0.000 1.374 83 M HN 0.378 nan 8.290 nan 0.000 0.411 84 E N 0.310 120.665 120.200 0.259 0.000 2.106 84 E HA -0.108 4.268 4.350 0.044 0.000 0.192 84 E C 1.884 178.624 176.600 0.233 0.000 0.984 84 E CA 1.522 58.117 56.400 0.325 0.000 0.806 84 E CB 0.198 30.168 29.700 0.450 0.000 0.750 84 E HN 0.333 nan 8.360 nan 0.000 0.458 85 S N 0.930 116.754 115.700 0.206 0.000 2.369 85 S HA -0.193 4.303 4.470 0.044 0.000 0.225 85 S C 1.727 176.431 174.600 0.173 0.000 1.043 85 S CA 1.560 59.866 58.200 0.176 0.000 1.074 85 S CB -0.364 62.935 63.200 0.164 0.000 0.962 85 S HN 0.338 nan 8.310 nan 0.000 0.433 86 R N 0.927 121.541 120.500 0.189 0.000 2.339 86 R HA 0.130 4.497 4.340 0.044 0.000 0.199 86 R C 1.359 177.775 176.300 0.194 0.000 1.018 86 R CA 0.729 56.978 56.100 0.248 0.000 1.036 86 R CB -0.697 29.863 30.300 0.433 0.000 0.899 86 R HN 0.592 nan 8.270 nan 0.000 0.473 87 G N 0.563 109.426 108.800 0.106 0.000 2.131 87 G HA2 -0.226 3.760 3.960 0.044 0.000 0.201 87 G HA3 -0.226 3.760 3.960 0.044 0.000 0.201 87 G C -0.029 174.720 174.900 -0.250 0.000 1.000 87 G CA -0.101 44.995 45.100 -0.006 0.000 0.680 87 G HN 0.133 nan 8.290 nan 0.000 0.514 88 V N 2.476 122.306 119.914 -0.141 0.000 2.465 88 V HA 0.577 4.723 4.120 0.044 0.000 0.279 88 V C 0.312 176.467 176.094 0.101 0.000 1.045 88 V CA -0.826 61.398 62.300 -0.127 0.000 0.938 88 V CB 1.227 32.931 31.823 -0.197 0.000 0.986 88 V HN 0.346 nan 8.190 nan 0.000 0.467 89 H N 5.035 124.204 119.070 0.165 0.000 2.529 89 H HA 0.783 5.365 4.556 0.044 0.000 0.348 89 H C -0.436 174.960 175.328 0.113 0.000 1.152 89 H CA -0.954 55.110 56.048 0.027 0.000 1.202 89 H CB 1.702 31.443 29.762 -0.034 0.000 1.562 89 H HN 0.636 nan 8.280 nan 0.000 0.515 90 F N -1.652 118.303 119.950 0.010 0.000 2.741 90 F HA 0.529 5.082 4.527 0.044 0.000 0.311 90 F C -1.763 173.918 175.800 -0.197 0.000 1.149 90 F CA -1.186 56.689 58.000 -0.208 0.000 0.930 90 F CB 0.556 39.251 39.000 -0.509 0.000 1.312 90 F HN 0.143 nan 8.300 nan 0.000 0.450 91 V N 2.273 122.171 119.914 -0.026 0.000 2.384 91 V HA 0.332 4.479 4.120 0.044 0.000 0.287 91 V C -1.182 174.970 176.094 0.097 0.000 1.020 91 V CA -0.644 61.665 62.300 0.015 0.000 0.850 91 V CB 1.156 32.964 31.823 -0.024 0.000 0.987 91 V HN 0.757 nan 8.190 nan 0.000 0.436 92 Y N 3.559 123.902 120.300 0.071 0.000 2.334 92 Y HA 0.815 5.392 4.550 0.044 0.000 0.328 92 Y C 0.469 176.432 175.900 0.106 0.000 1.130 92 Y CA 0.276 58.419 58.100 0.072 0.000 1.163 92 Y CB 1.687 40.258 38.460 0.185 0.000 1.207 92 Y HN 0.808 nan 8.280 nan 0.000 0.471 93 G N 4.557 113.110 108.800 -0.411 0.000 2.349 93 G HA2 0.300 4.287 3.960 0.044 0.000 0.294 93 G HA3 0.300 4.287 3.960 0.044 0.000 0.294 93 G C -1.904 172.823 174.900 -0.289 0.000 1.380 93 G CA -1.315 43.643 45.100 -0.236 0.000 0.811 93 G HN 0.605 nan 8.290 nan 0.000 0.519 94 R N -0.656 119.764 120.500 -0.133 0.000 2.349 94 R HA 0.350 4.717 4.340 0.044 0.000 0.299 94 R C -0.919 175.412 176.300 0.051 0.000 1.027 94 R CA -0.662 55.395 56.100 -0.072 0.000 0.958 94 R CB 1.303 31.569 30.300 -0.056 0.000 1.047 94 R HN 0.520 nan 8.270 nan 0.000 0.468 95 W N 6.177 127.389 121.300 -0.147 0.000 2.335 95 W HA 0.168 4.854 4.660 0.044 0.000 0.306 95 W C -0.601 175.855 176.519 -0.105 0.000 1.216 95 W CA -1.059 56.213 57.345 -0.122 0.000 1.237 95 W CB 0.386 29.758 29.460 -0.147 0.000 1.243 95 W HN 0.527 nan 8.180 nan 0.000 0.493 96 L N 9.278 130.553 121.223 0.087 0.000 2.544 96 L HA 0.093 4.459 4.340 0.044 0.000 0.240 96 L C 0.114 176.818 176.870 -0.278 0.000 1.421 96 L CA 0.197 54.986 54.840 -0.085 0.000 1.206 96 L CB -1.330 40.722 42.059 -0.012 0.000 1.463 96 L HN 0.258 nan 8.230 nan 0.000 0.437 97 I N -2.272 118.018 120.570 -0.466 0.000 3.237 97 I HA 0.315 4.512 4.170 0.044 0.000 0.308 97 I C 0.485 176.408 176.117 -0.323 0.000 1.093 97 I CA -1.038 59.965 61.300 -0.495 0.000 1.001 97 I CB 1.129 38.642 38.000 -0.812 0.000 1.245 97 I HN 0.067 nan 8.210 nan 0.000 0.485 98 E N 1.022 121.055 120.200 -0.278 0.000 2.366 98 E HA 0.293 4.669 4.350 0.044 0.000 0.266 98 E C 0.689 177.158 176.600 -0.219 0.000 1.015 98 E CA 1.034 57.312 56.400 -0.203 0.000 0.906 98 E CB 0.249 29.848 29.700 -0.168 0.000 0.979 98 E HN 0.842 nan 8.360 nan 0.000 0.443 99 G N 3.602 112.301 108.800 -0.169 0.000 2.561 99 G HA2 -0.272 3.715 3.960 0.044 0.000 0.203 99 G HA3 -0.272 3.715 3.960 0.044 0.000 0.203 99 G C 0.547 175.375 174.900 -0.120 0.000 1.101 99 G CA -0.003 45.008 45.100 -0.148 0.000 0.711 99 G HN 1.583 nan 8.290 nan 0.000 0.511 100 A N 0.488 123.219 122.820 -0.149 0.000 2.560 100 A HA 0.083 4.430 4.320 0.044 0.000 0.299 100 A C -0.778 176.766 177.584 -0.067 0.000 1.484 100 A CA 1.573 53.545 52.037 -0.108 0.000 0.749 100 A CB -1.642 17.304 19.000 -0.090 0.000 1.072 100 A HN 1.324 nan 8.150 nan 0.000 0.426 101 P HA 0.263 nan 4.420 nan 0.000 0.271 101 P C -0.090 177.156 177.300 -0.091 0.000 1.218 101 P CA 0.042 63.138 63.100 -0.007 0.000 0.780 101 P CB 0.701 32.469 31.700 0.113 0.000 0.901 102 K N 0.952 121.218 120.400 -0.223 0.000 2.270 102 K HA 0.432 4.779 4.320 0.044 0.000 0.276 102 K C -0.439 175.987 176.600 -0.289 0.000 1.023 102 K CA -0.576 55.517 56.287 -0.323 0.000 0.955 102 K CB 0.819 33.074 32.500 -0.409 0.000 0.975 102 K HN 0.216 nan 8.250 nan 0.000 0.471 103 V N 4.568 124.290 119.914 -0.320 0.000 2.709 103 V HA 0.407 4.553 4.120 0.044 0.000 0.308 103 V C -0.839 175.085 176.094 -0.283 0.000 1.062 103 V CA -0.806 61.343 62.300 -0.252 0.000 0.901 103 V CB 1.859 33.550 31.823 -0.220 0.000 1.003 103 V HN 0.582 nan 8.190 nan 0.000 0.425 104 I N 6.044 126.451 120.570 -0.272 0.000 2.382 104 I HA 0.451 4.647 4.170 0.044 0.000 0.285 104 I C -0.752 175.052 176.117 -0.523 0.000 1.007 104 I CA -0.271 60.773 61.300 -0.427 0.000 1.142 104 I CB 1.372 38.977 38.000 -0.659 0.000 1.289 104 I HN 0.288 nan 8.210 nan 0.000 0.453 105 L N 6.902 127.859 121.223 -0.443 0.000 2.337 105 L HA 0.454 4.820 4.340 0.044 0.000 0.269 105 L C -0.702 175.985 176.870 -0.305 0.000 1.018 105 L CA -0.527 54.116 54.840 -0.328 0.000 0.876 105 L CB 0.500 42.424 42.059 -0.225 0.000 1.236 105 L HN 0.395 nan 8.230 nan 0.000 0.436 106 F N 1.268 121.141 119.950 -0.129 0.000 2.495 106 F HA 0.037 4.590 4.527 0.043 0.000 0.365 106 F C 1.066 176.840 175.800 -0.044 0.000 1.090 106 F CA -0.197 57.758 58.000 -0.075 0.000 1.235 106 F CB 0.371 39.291 39.000 -0.133 0.000 1.119 106 F HN 0.395 nan 8.300 nan 0.000 0.562 107 D N 4.574 125.086 120.400 0.187 0.000 2.435 107 D HA 0.078 4.744 4.640 0.044 0.000 0.230 107 D C 1.136 177.504 176.300 0.113 0.000 1.215 107 D CA 0.210 54.266 54.000 0.093 0.000 0.947 107 D CB 0.295 41.148 40.800 0.089 0.000 1.048 107 D HN 0.531 nan 8.370 nan 0.000 0.512 108 L N 2.352 123.634 121.223 0.097 0.000 2.349 108 L HA -0.162 4.204 4.340 0.044 0.000 0.220 108 L C 1.240 178.169 176.870 0.097 0.000 1.130 108 L CA 0.779 55.684 54.840 0.109 0.000 0.791 108 L CB -0.075 42.045 42.059 0.102 0.000 0.918 108 L HN 0.356 nan 8.230 nan 0.000 0.444 109 D N -0.585 119.860 120.400 0.075 0.000 2.149 109 D HA -0.107 4.560 4.640 0.044 0.000 0.201 109 D C 2.154 178.490 176.300 0.061 0.000 0.972 109 D CA 1.461 55.501 54.000 0.066 0.000 0.835 109 D CB 0.018 40.851 40.800 0.056 0.000 0.966 109 D HN 0.301 nan 8.370 nan 0.000 0.476 110 S N -0.455 115.276 115.700 0.052 0.000 2.803 110 S HA 0.069 4.565 4.470 0.044 0.000 0.226 110 S C 1.187 175.777 174.600 -0.017 0.000 0.962 110 S CA -0.048 58.138 58.200 -0.023 0.000 0.968 110 S CB 0.331 63.434 63.200 -0.161 0.000 0.786 110 S HN 0.035 nan 8.310 nan 0.000 0.527 111 V N 0.078 120.021 119.914 0.048 0.000 3.523 111 V HA 0.307 4.454 4.120 0.044 0.000 0.273 111 V C 1.747 177.881 176.094 0.066 0.000 1.675 111 V CA -0.013 62.325 62.300 0.062 0.000 1.079 111 V CB 0.149 32.041 31.823 0.116 0.000 0.901 111 V HN 0.476 nan 8.190 nan 0.000 0.406 112 R N 0.957 121.502 120.500 0.074 0.000 2.303 112 R HA -0.085 4.282 4.340 0.044 0.000 0.225 112 R C 1.904 178.207 176.300 0.005 0.000 1.114 112 R CA 1.792 57.928 56.100 0.060 0.000 1.007 112 R CB -0.230 30.108 30.300 0.065 0.000 0.861 112 R HN 0.536 nan 8.270 nan 0.000 0.471 113 G N -0.246 108.557 108.800 0.005 0.000 2.404 113 G HA2 -0.251 3.735 3.960 0.044 0.000 0.214 113 G HA3 -0.251 3.735 3.960 0.044 0.000 0.214 113 G C 0.611 175.382 174.900 -0.215 0.000 1.189 113 G CA 0.314 45.368 45.100 -0.076 0.000 0.789 113 G HN 0.376 nan 8.290 nan 0.000 0.533 114 Y N 1.798 121.780 120.300 -0.531 0.000 2.738 114 Y HA -0.062 4.515 4.550 0.045 0.000 0.293 114 Y C 2.891 178.258 175.900 -0.888 0.000 1.156 114 Y CA 0.507 58.034 58.100 -0.955 0.000 1.410 114 Y CB -0.564 36.804 38.460 -1.821 0.000 0.966 114 Y HN 0.283 nan 8.280 nan 0.000 0.568 115 S N 0.578 116.102 115.700 -0.294 0.000 2.353 115 S HA -0.247 4.250 4.470 0.044 0.000 0.222 115 S C 2.109 176.670 174.600 -0.064 0.000 1.035 115 S CA 1.972 60.123 58.200 -0.082 0.000 1.025 115 S CB -0.178 63.023 63.200 0.001 0.000 0.902 115 S HN 0.517 nan 8.310 nan 0.000 0.440 116 N N 1.248 119.884 118.700 -0.108 0.000 2.142 116 N HA -0.051 4.715 4.740 0.044 0.000 0.186 116 N C 1.806 177.269 175.510 -0.077 0.000 1.023 116 N CA 1.312 54.317 53.050 -0.074 0.000 0.852 116 N CB -0.706 37.732 38.487 -0.082 0.000 0.998 116 N HN 0.709 nan 8.380 nan 0.000 0.424 117 E N -0.361 119.744 120.200 -0.158 0.000 2.085 117 E HA -0.194 4.183 4.350 0.044 0.000 0.194 117 E C 1.282 177.878 176.600 -0.006 0.000 0.994 117 E CA 1.078 57.403 56.400 -0.125 0.000 0.801 117 E CB -0.054 29.503 29.700 -0.238 0.000 0.743 117 E HN 0.344 nan 8.360 nan 0.000 0.453 118 W N 0.950 122.110 121.300 -0.232 0.000 2.407 118 W HA 0.007 4.694 4.660 0.045 0.000 0.305 118 W C 2.264 178.619 176.519 -0.273 0.000 1.196 118 W CA 0.589 57.619 57.345 -0.525 0.000 1.311 118 W CB -0.785 28.171 29.460 -0.839 0.000 1.135 118 W HN 0.089 nan 8.180 nan 0.000 0.514 119 K N -0.318 120.155 120.400 0.121 0.000 2.127 119 K HA -0.168 4.179 4.320 0.044 0.000 0.208 119 K C 2.264 178.958 176.600 0.157 0.000 1.047 119 K CA 1.692 58.062 56.287 0.138 0.000 0.927 119 K CB -0.811 31.740 32.500 0.086 0.000 0.716 119 K HN 0.169 nan 8.250 nan 0.000 0.450 120 G N 1.156 110.027 108.800 0.118 0.000 2.434 120 G HA2 -0.324 3.662 3.960 0.044 0.000 0.214 120 G HA3 -0.324 3.662 3.960 0.044 0.000 0.214 120 G C 1.148 176.177 174.900 0.215 0.000 1.202 120 G CA 1.154 46.345 45.100 0.151 0.000 0.788 120 G HN 0.327 nan 8.290 nan 0.000 0.539 121 D N -0.172 120.330 120.400 0.170 0.000 2.158 121 D HA -0.121 4.545 4.640 0.044 0.000 0.197 121 D C 2.327 178.767 176.300 0.234 0.000 0.995 121 D CA 0.639 54.752 54.000 0.188 0.000 0.846 121 D CB -0.240 40.681 40.800 0.202 0.000 0.941 121 D HN 0.212 nan 8.370 nan 0.000 0.456 122 L N 0.068 121.472 121.223 0.301 0.000 1.994 122 L HA -0.143 4.223 4.340 0.044 0.000 0.208 122 L C 2.282 179.281 176.870 0.215 0.000 1.071 122 L CA 1.535 56.545 54.840 0.284 0.000 0.745 122 L CB -0.742 41.516 42.059 0.332 0.000 0.892 122 L HN 0.494 nan 8.230 nan 0.000 0.431 123 W N 1.113 122.459 121.300 0.077 0.000 2.321 123 W HA -0.248 4.439 4.660 0.044 0.000 0.306 123 W C 1.839 178.379 176.519 0.035 0.000 1.217 123 W CA 1.745 59.120 57.345 0.050 0.000 1.257 123 W CB -0.224 29.263 29.460 0.045 0.000 1.145 123 W HN 0.371 nan 8.180 nan 0.000 0.509 124 S N 0.039 115.748 115.700 0.015 0.000 2.602 124 S HA 0.249 4.745 4.470 0.044 0.000 0.246 124 S C 0.882 175.428 174.600 -0.090 0.000 1.009 124 S CA -0.228 57.900 58.200 -0.120 0.000 1.052 124 S CB -0.301 62.929 63.200 0.050 0.000 0.778 124 S HN 0.359 nan 8.310 nan 0.000 0.455 125 L N -0.713 120.451 121.223 -0.097 0.000 3.316 125 L HA 0.299 4.666 4.340 0.044 0.000 0.300 125 L C 0.497 177.290 176.870 -0.129 0.000 1.128 125 L CA 0.106 54.892 54.840 -0.090 0.000 1.111 125 L CB 0.966 42.998 42.059 -0.044 0.000 1.687 125 L HN 0.305 nan 8.230 nan 0.000 0.594 126 V N -1.778 118.050 119.914 -0.144 0.000 3.432 126 V HA 0.346 4.492 4.120 0.044 0.000 0.290 126 V C 1.162 177.140 176.094 -0.192 0.000 1.591 126 V CA 0.327 62.537 62.300 -0.150 0.000 1.069 126 V CB 0.748 32.503 31.823 -0.113 0.000 0.892 126 V HN 0.355 nan 8.190 nan 0.000 0.436 127 G N 2.106 110.715 108.800 -0.319 0.000 2.273 127 G HA2 -0.273 3.714 3.960 0.044 0.000 0.280 127 G HA3 -0.273 3.714 3.960 0.044 0.000 0.280 127 G C -0.025 174.831 174.900 -0.075 0.000 1.047 127 G CA 0.570 45.332 45.100 -0.565 0.000 0.869 127 G HN 0.594 nan 8.290 nan 0.000 0.502 128 I N 1.214 121.868 120.570 0.139 0.000 2.291 128 I HA 0.238 4.435 4.170 0.044 0.000 0.292 128 I C -1.672 174.706 176.117 0.436 0.000 1.064 128 I CA -2.264 59.176 61.300 0.233 0.000 1.269 128 I CB 1.013 39.083 38.000 0.116 0.000 1.418 128 I HN -0.090 nan 8.210 nan 0.000 0.485 129 P HA 0.070 nan 4.420 nan 0.000 0.270 129 P C -0.710 176.687 177.300 0.161 0.000 1.227 129 P CA -0.219 63.053 63.100 0.286 0.000 0.788 129 P CB 0.563 32.424 31.700 0.269 0.000 0.926 130 S N -0.744 114.961 115.700 0.008 0.000 2.479 130 S HA 0.379 4.876 4.470 0.044 0.000 0.169 130 S C -2.892 171.638 174.600 -0.118 0.000 1.181 130 S CA -1.250 56.946 58.200 -0.007 0.000 1.169 130 S CB -0.256 62.993 63.200 0.082 0.000 1.384 130 S HN 0.163 nan 8.310 nan 0.000 0.412 131 P HA 0.135 nan 4.420 nan 0.000 0.268 131 P C 0.718 177.920 177.300 -0.163 0.000 1.208 131 P CA -0.276 62.682 63.100 -0.236 0.000 0.777 131 P CB 0.484 31.977 31.700 -0.345 0.000 0.875 132 E N 0.592 120.708 120.200 -0.140 0.000 2.478 132 E HA -0.074 4.302 4.350 0.044 0.000 0.194 132 E C 0.492 176.968 176.600 -0.206 0.000 1.045 132 E CA 0.413 56.745 56.400 -0.112 0.000 0.868 132 E CB -0.595 29.067 29.700 -0.062 0.000 0.885 132 E HN 0.559 nan 8.360 nan 0.000 0.505 133 N N 0.721 119.255 118.700 -0.276 0.000 2.336 133 N HA -0.054 4.712 4.740 0.044 0.000 0.189 133 N C -0.022 175.047 175.510 -0.735 0.000 1.113 133 N CA -0.135 52.628 53.050 -0.477 0.000 0.858 133 N CB 0.369 38.712 38.487 -0.240 0.000 0.970 133 N HN -0.113 nan 8.380 nan 0.000 0.471 134 D N 0.152 120.275 120.400 -0.460 0.000 2.467 134 D HA 0.107 4.773 4.640 0.044 0.000 0.220 134 D C -0.137 176.047 176.300 -0.192 0.000 1.103 134 D CA -0.761 53.090 54.000 -0.249 0.000 0.886 134 D CB 0.269 41.108 40.800 0.064 0.000 1.025 134 D HN 0.076 nan 8.370 nan 0.000 0.514 135 F N 1.727 121.759 119.950 0.137 0.000 2.259 135 F HA 0.009 4.563 4.527 0.044 0.000 0.298 135 F C 2.113 177.996 175.800 0.138 0.000 1.088 135 F CA 0.375 58.447 58.000 0.120 0.000 1.358 135 F CB -0.239 38.817 39.000 0.094 0.000 1.040 135 F HN 0.306 nan 8.300 nan 0.000 0.505 136 E N 0.099 120.490 120.200 0.317 0.000 2.077 136 E HA -0.168 4.209 4.350 0.044 0.000 0.193 136 E C 2.393 179.147 176.600 0.257 0.000 0.989 136 E CA 2.121 58.674 56.400 0.255 0.000 0.800 136 E CB -0.711 29.154 29.700 0.276 0.000 0.746 136 E HN 0.447 nan 8.360 nan 0.000 0.452 137 T N -1.106 113.642 114.554 0.323 0.000 2.942 137 T HA -0.048 4.328 4.350 0.044 0.000 0.265 137 T C 1.653 176.506 174.700 0.255 0.000 1.062 137 T CA 0.818 63.126 62.100 0.347 0.000 1.139 137 T CB -0.181 68.916 68.868 0.381 0.000 0.883 137 T HN -0.050 nan 8.240 nan 0.000 0.468 138 N N 2.230 121.062 118.700 0.220 0.000 2.036 138 N HA -0.123 4.644 4.740 0.044 0.000 0.195 138 N C 1.557 177.196 175.510 0.214 0.000 1.037 138 N CA 1.810 54.984 53.050 0.207 0.000 0.855 138 N CB -0.573 38.035 38.487 0.203 0.000 1.033 138 N HN 0.484 nan 8.380 nan 0.000 0.423 139 D N 0.758 121.278 120.400 0.201 0.000 2.144 139 D HA -0.062 4.604 4.640 0.044 0.000 0.199 139 D C 1.773 178.159 176.300 0.144 0.000 0.984 139 D CA 0.990 55.088 54.000 0.164 0.000 0.834 139 D CB -0.294 40.587 40.800 0.134 0.000 0.955 139 D HN 0.263 nan 8.370 nan 0.000 0.465 140 A N 0.447 123.355 122.820 0.146 0.000 1.969 140 A HA -0.078 4.269 4.320 0.044 0.000 0.218 140 A C 2.339 180.012 177.584 0.149 0.000 1.169 140 A CA 0.654 52.762 52.037 0.118 0.000 0.635 140 A CB -0.487 18.596 19.000 0.138 0.000 0.810 140 A HN 0.175 nan 8.150 nan 0.000 0.445 141 I N -0.477 120.217 120.570 0.207 0.000 2.233 141 I HA -0.199 3.997 4.170 0.044 0.000 0.243 141 I C 2.341 178.634 176.117 0.293 0.000 1.093 141 I CA 0.844 62.301 61.300 0.262 0.000 1.380 141 I CB -0.339 37.846 38.000 0.308 0.000 1.067 141 I HN 0.277 nan 8.210 nan 0.000 0.413 142 L N 0.114 121.516 121.223 0.298 0.000 2.013 142 L HA -0.262 4.105 4.340 0.044 0.000 0.212 142 L C 2.642 179.628 176.870 0.193 0.000 1.073 142 L CA 1.198 56.249 54.840 0.352 0.000 0.753 142 L CB -0.619 41.620 42.059 0.300 0.000 0.890 142 L HN 0.297 nan 8.230 nan 0.000 0.432 143 L N 0.260 121.555 121.223 0.121 0.000 2.017 143 L HA -0.095 4.272 4.340 0.044 0.000 0.208 143 L C 2.375 179.233 176.870 -0.020 0.000 1.073 143 L CA 2.224 57.091 54.840 0.045 0.000 0.745 143 L CB -1.201 40.894 42.059 0.060 0.000 0.894 143 L HN 0.150 nan 8.230 nan 0.000 0.432 144 G N -1.592 107.200 108.800 -0.015 0.000 2.459 144 G HA2 -0.353 3.633 3.960 0.044 0.000 0.217 144 G HA3 -0.353 3.633 3.960 0.044 0.000 0.217 144 G C 1.493 176.223 174.900 -0.284 0.000 1.183 144 G CA 1.185 46.207 45.100 -0.129 0.000 0.776 144 G HN 0.485 nan 8.290 nan 0.000 0.552 145 Y N 1.270 121.322 120.300 -0.413 0.000 2.224 145 Y HA -0.103 4.474 4.550 0.045 0.000 0.289 145 Y C 3.373 178.959 175.900 -0.524 0.000 1.146 145 Y CA 1.765 59.410 58.100 -0.759 0.000 1.182 145 Y CB -0.298 37.078 38.460 -1.808 0.000 0.983 145 Y HN 0.170 nan 8.280 nan 0.000 0.524 146 T N -1.112 113.293 114.554 -0.249 0.000 2.812 146 T HA -0.131 4.246 4.350 0.044 0.000 0.264 146 T C 2.079 176.550 174.700 -0.383 0.000 1.042 146 T CA 1.463 63.411 62.100 -0.254 0.000 1.140 146 T CB -0.635 67.970 68.868 -0.439 0.000 0.870 146 T HN 0.077 nan 8.240 nan 0.000 0.445 147 V N 1.773 121.507 119.914 -0.302 0.000 2.379 147 V HA -0.087 4.059 4.120 0.044 0.000 0.245 147 V C 2.939 179.034 176.094 0.002 0.000 1.044 147 V CA 1.493 63.704 62.300 -0.149 0.000 1.036 147 V CB -1.257 30.578 31.823 0.020 0.000 0.664 147 V HN 0.505 nan 8.190 nan 0.000 0.453 148 A N -0.166 122.622 122.820 -0.053 0.000 1.892 148 A HA -0.304 4.043 4.320 0.044 0.000 0.218 148 A C 2.030 179.628 177.584 0.023 0.000 1.188 148 A CA 2.179 54.180 52.037 -0.060 0.000 0.631 148 A CB -0.937 17.923 19.000 -0.233 0.000 0.822 148 A HN 0.717 nan 8.150 nan 0.000 0.447 149 W N 0.082 121.262 121.300 -0.200 0.000 2.335 149 W HA -0.228 4.458 4.660 0.044 0.000 0.311 149 W C 1.915 178.365 176.519 -0.114 0.000 1.213 149 W CA 1.520 58.773 57.345 -0.153 0.000 1.274 149 W CB -1.151 28.206 29.460 -0.172 0.000 1.148 149 W HN 0.427 nan 8.180 nan 0.000 0.498 150 F N 0.440 120.310 119.950 -0.134 0.000 2.325 150 F HA -0.092 4.461 4.527 0.043 0.000 0.299 150 F C 2.036 177.724 175.800 -0.185 0.000 1.090 150 F CA 1.738 59.586 58.000 -0.253 0.000 1.392 150 F CB -0.438 38.374 39.000 -0.314 0.000 1.053 150 F HN -0.203 nan 8.300 nan 0.000 0.521 151 L N -0.313 120.819 121.223 -0.152 0.000 2.162 151 L HA 0.052 4.418 4.340 0.044 0.000 0.205 151 L C 2.836 179.612 176.870 -0.157 0.000 1.086 151 L CA 0.934 55.633 54.840 -0.235 0.000 0.778 151 L CB -1.461 40.580 42.059 -0.030 0.000 0.928 151 L HN 0.269 nan 8.230 nan 0.000 0.446 152 G N -0.117 108.650 108.800 -0.054 0.000 2.476 152 G HA2 -0.272 3.715 3.960 0.044 0.000 0.218 152 G HA3 -0.272 3.715 3.960 0.044 0.000 0.218 152 G C 1.478 176.372 174.900 -0.011 0.000 1.164 152 G CA 0.653 45.747 45.100 -0.009 0.000 0.768 152 G HN 0.257 nan 8.290 nan 0.000 0.560 153 E N 0.161 120.329 120.200 -0.054 0.000 2.072 153 E HA -0.065 4.311 4.350 0.044 0.000 0.191 153 E C 2.923 179.458 176.600 -0.108 0.000 0.985 153 E CA 0.791 57.163 56.400 -0.045 0.000 0.801 153 E CB -0.494 29.142 29.700 -0.107 0.000 0.750 153 E HN 0.337 nan 8.360 nan 0.000 0.452 154 V N 1.556 121.277 119.914 -0.322 0.000 2.307 154 V HA -0.208 3.938 4.120 0.044 0.000 0.245 154 V C 2.464 178.514 176.094 -0.074 0.000 1.045 154 V CA 1.694 63.828 62.300 -0.276 0.000 1.024 154 V CB -0.874 30.676 31.823 -0.455 0.000 0.651 154 V HN 0.228 nan 8.190 nan 0.000 0.449 155 A N -0.883 121.917 122.820 -0.032 0.000 1.978 155 A HA -0.299 4.048 4.320 0.044 0.000 0.220 155 A C 2.228 179.856 177.584 0.073 0.000 1.170 155 A CA 2.111 54.176 52.037 0.047 0.000 0.636 155 A CB -0.885 18.150 19.000 0.058 0.000 0.810 155 A HN 0.756 nan 8.150 nan 0.000 0.448 156 H N -0.291 118.762 119.070 -0.027 0.000 2.299 156 H HA -0.013 4.569 4.556 0.044 0.000 0.302 156 H C 1.887 177.208 175.328 -0.011 0.000 1.078 156 H CA 1.789 57.828 56.048 -0.016 0.000 1.323 156 H CB -0.091 29.661 29.762 -0.017 0.000 1.381 156 H HN 0.426 nan 8.280 nan 0.000 0.498 157 L N 0.360 121.478 121.223 -0.174 0.000 2.131 157 L HA -0.039 4.328 4.340 0.044 0.000 0.206 157 L C 1.029 177.836 176.870 -0.106 0.000 1.087 157 L CA 0.406 55.117 54.840 -0.215 0.000 0.767 157 L CB -0.118 41.894 42.059 -0.078 0.000 0.917 157 L HN 0.248 nan 8.230 nan 0.000 0.441 158 D N -0.055 120.323 120.400 -0.035 0.000 2.277 158 D HA 0.082 4.748 4.640 0.044 0.000 0.249 158 D C 0.367 176.671 176.300 0.006 0.000 1.134 158 D CA 0.179 54.193 54.000 0.023 0.000 0.863 158 D CB 1.538 42.406 40.800 0.113 0.000 1.143 158 D HN 0.058 nan 8.370 nan 0.000 0.458 159 S N 2.130 117.816 115.700 -0.023 0.000 2.733 159 S HA 0.008 4.505 4.470 0.044 0.000 0.247 159 S C 1.167 175.725 174.600 -0.069 0.000 1.043 159 S CA -0.468 57.708 58.200 -0.039 0.000 1.066 159 S CB 0.696 63.865 63.200 -0.053 0.000 1.045 159 S HN 0.573 nan 8.310 nan 0.000 0.586 160 Q N 1.143 120.867 119.800 -0.127 0.000 2.287 160 Q HA 0.138 4.504 4.340 0.044 0.000 0.201 160 Q C -0.393 175.461 176.000 -0.242 0.000 0.946 160 Q CA 0.563 56.215 55.803 -0.252 0.000 0.868 160 Q CB 0.195 28.668 28.738 -0.442 0.000 0.967 160 Q HN 0.731 nan 8.270 nan 0.000 0.516 161 H N -0.134 118.977 119.070 0.069 0.000 2.487 161 H HA 0.518 5.100 4.556 0.044 0.000 0.333 161 H C -0.480 174.928 175.328 0.134 0.000 1.114 161 H CA -0.275 55.845 56.048 0.120 0.000 1.310 161 H CB 1.513 31.355 29.762 0.134 0.000 1.462 161 H HN 0.333 nan 8.280 nan 0.000 0.516 162 A N 2.907 125.907 122.820 0.301 0.000 2.346 162 A HA 0.417 4.764 4.320 0.044 0.000 0.252 162 A C -0.200 177.588 177.584 0.340 0.000 1.089 162 A CA -0.293 51.921 52.037 0.295 0.000 0.797 162 A CB 0.117 19.319 19.000 0.337 0.000 1.047 162 A HN 0.720 nan 8.150 nan 0.000 0.494 163 I N 1.621 122.378 120.570 0.312 0.000 2.468 163 I HA 0.299 4.496 4.170 0.044 0.000 0.284 163 I C -0.524 175.743 176.117 0.250 0.000 1.038 163 I CA -0.596 60.883 61.300 0.298 0.000 1.083 163 I CB 1.613 39.795 38.000 0.305 0.000 1.223 163 I HN 0.416 nan 8.210 nan 0.000 0.443 164 V N 6.218 126.267 119.914 0.225 0.000 2.394 164 V HA 0.837 4.984 4.120 0.044 0.000 0.282 164 V C -0.048 176.161 176.094 0.192 0.000 1.031 164 V CA -0.030 62.361 62.300 0.152 0.000 0.881 164 V CB 1.462 33.321 31.823 0.061 0.000 0.982 164 V HN 0.794 nan 8.190 nan 0.000 0.451 165 A N 5.132 128.062 122.820 0.184 0.000 2.310 165 A HA 0.576 4.922 4.320 0.044 0.000 0.304 165 A C -0.712 176.908 177.584 0.059 0.000 1.231 165 A CA -0.534 51.592 52.037 0.148 0.000 0.799 165 A CB 0.315 19.448 19.000 0.222 0.000 1.162 165 A HN 1.112 nan 8.150 nan 0.000 0.486 166 H N 1.477 120.448 119.070 -0.166 0.000 2.489 166 H HA 0.627 5.208 4.556 0.041 0.000 0.322 166 H C -1.377 173.712 175.328 -0.397 0.000 1.091 166 H CA -0.333 55.625 56.048 -0.150 0.000 1.291 166 H CB 0.703 30.403 29.762 -0.104 0.000 1.436 166 H HN 0.561 nan 8.280 nan 0.000 0.480 167 F N 2.649 122.732 119.950 0.223 0.000 2.507 167 F HA 0.249 4.802 4.527 0.044 0.000 0.325 167 F C -0.383 175.459 175.800 0.071 0.000 1.116 167 F CA -0.846 57.260 58.000 0.176 0.000 0.930 167 F CB 1.471 40.630 39.000 0.266 0.000 1.146 167 F HN 0.612 nan 8.300 nan 0.000 0.447 168 H N 1.505 120.785 119.070 0.351 0.000 2.541 168 H HA 0.500 5.081 4.556 0.042 0.000 0.316 168 H C -0.583 174.893 175.328 0.247 0.000 1.043 168 H CA -0.669 55.523 56.048 0.239 0.000 1.232 168 H CB 1.315 31.187 29.762 0.184 0.000 1.406 168 H HN 0.645 nan 8.280 nan 0.000 0.469 169 E N 1.248 121.648 120.200 0.332 0.000 8.710 169 E HA -0.208 4.168 4.350 0.044 0.000 0.468 169 E C 0.510 177.413 176.600 0.505 0.000 1.162 169 E CA 0.618 57.233 56.400 0.359 0.000 2.026 169 E CB -0.352 29.464 29.700 0.192 0.000 1.008 169 E HN 0.839 nan 8.360 nan 0.000 0.263 170 W N 3.663 125.218 121.300 0.426 0.000 2.350 170 W HA -0.154 4.532 4.660 0.043 0.000 0.289 170 W C 1.178 177.800 176.519 0.171 0.000 1.215 170 W CA 1.237 58.752 57.345 0.284 0.000 1.236 170 W CB -0.822 28.740 29.460 0.171 0.000 1.130 170 W HN 0.484 nan 8.180 nan 0.000 0.541 171 L N 1.832 122.698 121.223 -0.594 0.000 2.191 171 L HA -0.066 4.301 4.340 0.044 0.000 0.212 171 L C 2.723 179.528 176.870 -0.109 0.000 1.103 171 L CA 1.859 56.354 54.840 -0.575 0.000 0.769 171 L CB -0.936 40.681 42.059 -0.737 0.000 0.908 171 L HN 0.056 nan 8.230 nan 0.000 0.438 172 A N -0.661 122.179 122.820 0.034 0.000 2.460 172 A HA 0.409 4.755 4.320 0.044 0.000 0.258 172 A C 1.701 179.409 177.584 0.207 0.000 1.300 172 A CA 0.486 52.621 52.037 0.163 0.000 0.913 172 A CB -0.424 18.718 19.000 0.237 0.000 1.031 172 A HN 0.325 nan 8.150 nan 0.000 0.512 173 G N -1.358 107.500 108.800 0.098 0.000 3.324 173 G HA2 0.281 4.267 3.960 0.044 0.000 0.251 173 G HA3 0.281 4.267 3.960 0.044 0.000 0.251 173 G C 0.889 175.640 174.900 -0.248 0.000 1.072 173 G CA 0.627 45.664 45.100 -0.106 0.000 0.787 173 G HN 0.186 nan 8.290 nan 0.000 0.537 174 V N 1.274 121.104 119.914 -0.140 0.000 2.667 174 V HA -0.067 4.079 4.120 0.044 0.000 0.252 174 V C 3.067 178.955 176.094 -0.342 0.000 1.065 174 V CA 1.725 63.914 62.300 -0.185 0.000 1.083 174 V CB -0.238 31.543 31.823 -0.070 0.000 0.692 174 V HN 0.401 nan 8.190 nan 0.000 0.468 175 A N -0.260 122.338 122.820 -0.371 0.000 2.125 175 A HA -0.090 4.257 4.320 0.044 0.000 0.219 175 A C 2.185 179.442 177.584 -0.546 0.000 1.156 175 A CA 1.348 53.123 52.037 -0.436 0.000 0.671 175 A CB -0.388 18.459 19.000 -0.255 0.000 0.794 175 A HN 0.525 nan 8.150 nan 0.000 0.459 176 L N -0.730 120.110 121.223 -0.638 0.000 2.044 176 L HA -0.059 4.308 4.340 0.044 0.000 0.205 176 L C -0.430 176.214 176.870 -0.377 0.000 1.075 176 L CA 1.090 55.583 54.840 -0.578 0.000 0.747 176 L CB -1.186 40.503 42.059 -0.616 0.000 0.903 176 L HN 0.190 nan 8.230 nan 0.000 0.435 177 P HA -0.204 nan 4.420 nan 0.000 0.213 177 P C 1.899 179.049 177.300 -0.250 0.000 1.170 177 P CA 1.508 64.449 63.100 -0.265 0.000 0.902 177 P CB -0.018 31.535 31.700 -0.246 0.000 0.789 178 L N -1.189 119.847 121.223 -0.312 0.000 1.997 178 L HA -0.301 4.065 4.340 0.044 0.000 0.216 178 L C 2.686 179.426 176.870 -0.218 0.000 1.074 178 L CA 1.857 56.515 54.840 -0.303 0.000 0.763 178 L CB -1.709 40.076 42.059 -0.457 0.000 0.890 178 L HN 0.089 nan 8.230 nan 0.000 0.434 179 C N -0.618 118.555 119.300 -0.212 0.000 2.413 179 C HA -0.197 4.290 4.460 0.044 0.000 0.276 179 C C 3.099 178.025 174.990 -0.108 0.000 1.236 179 C CA 1.186 60.124 59.018 -0.134 0.000 1.735 179 C CB -1.006 26.667 27.740 -0.110 0.000 2.031 179 C HN 0.476 nan 8.230 nan 0.000 0.474 180 R N 0.825 121.248 120.500 -0.128 0.000 2.066 180 R HA -0.120 4.246 4.340 0.044 0.000 0.232 180 R C 2.402 178.645 176.300 -0.095 0.000 1.131 180 R CA 1.303 57.340 56.100 -0.104 0.000 0.955 180 R CB -0.292 29.938 30.300 -0.116 0.000 0.851 180 R HN 0.309 nan 8.270 nan 0.000 0.432 181 K N 1.190 121.523 120.400 -0.113 0.000 1.991 181 K HA -0.143 4.204 4.320 0.044 0.000 0.212 181 K C 1.792 178.345 176.600 -0.079 0.000 1.049 181 K CA 1.710 57.938 56.287 -0.097 0.000 0.932 181 K CB -0.159 32.275 32.500 -0.110 0.000 0.717 181 K HN 0.241 nan 8.250 nan 0.000 0.441 182 R N 0.476 120.925 120.500 -0.087 0.000 2.339 182 R HA 0.036 4.403 4.340 0.044 0.000 0.199 182 R C 0.338 176.609 176.300 -0.048 0.000 1.018 182 R CA 0.057 56.116 56.100 -0.069 0.000 1.036 182 R CB -0.199 30.052 30.300 -0.081 0.000 0.899 182 R HN 0.142 nan 8.270 nan 0.000 0.473 183 R N 1.250 121.723 120.500 -0.046 0.000 3.387 183 R HA -0.159 4.208 4.340 0.044 0.000 0.254 183 R C -0.298 175.999 176.300 -0.006 0.000 1.006 183 R CA 0.316 56.401 56.100 -0.024 0.000 0.677 183 R CB -1.306 28.985 30.300 -0.016 0.000 1.063 183 R HN 0.205 nan 8.270 nan 0.000 0.453 184 I N 0.108 120.671 120.570 -0.011 0.000 2.813 184 I HA -0.052 4.144 4.170 0.044 0.000 0.287 184 I C 1.033 177.176 176.117 0.044 0.000 1.196 184 I CA 0.351 61.657 61.300 0.011 0.000 1.421 184 I CB 0.444 38.444 38.000 -0.000 0.000 1.365 184 I HN 0.148 nan 8.210 nan 0.000 0.591 185 D N 5.574 126.019 120.400 0.074 0.000 2.801 185 D HA 0.283 4.949 4.640 0.044 0.000 0.232 185 D C -0.567 175.829 176.300 0.160 0.000 1.128 185 D CA 0.022 54.098 54.000 0.127 0.000 1.003 185 D CB -0.211 40.673 40.800 0.140 0.000 1.110 185 D HN 0.327 nan 8.370 nan 0.000 0.477 186 V N -0.750 119.238 119.914 0.123 0.000 2.789 186 V HA 0.627 4.773 4.120 0.044 0.000 0.311 186 V C 0.144 176.280 176.094 0.070 0.000 1.073 186 V CA -1.247 61.136 62.300 0.138 0.000 0.921 186 V CB 1.466 33.380 31.823 0.152 0.000 1.009 186 V HN 0.005 nan 8.190 nan 0.000 0.426 187 V N 1.127 121.064 119.914 0.038 0.000 2.498 187 V HA 0.849 4.995 4.120 0.044 0.000 0.279 187 V C 0.451 176.563 176.094 0.029 0.000 1.048 187 V CA 0.393 62.668 62.300 -0.041 0.000 0.967 187 V CB 0.746 32.484 31.823 -0.141 0.000 0.988 187 V HN 1.310 nan 8.190 nan 0.000 0.473 188 T N 2.992 117.562 114.554 0.026 0.000 2.829 188 T HA 0.798 5.174 4.350 0.044 0.000 0.280 188 T C -0.598 174.136 174.700 0.057 0.000 0.999 188 T CA -0.641 61.527 62.100 0.113 0.000 0.983 188 T CB 1.415 70.355 68.868 0.119 0.000 0.968 188 T HN 0.676 nan 8.240 nan 0.000 0.446 189 I N 3.055 123.666 120.570 0.068 0.000 2.436 189 I HA 0.512 4.709 4.170 0.044 0.000 0.289 189 I C -1.175 175.029 176.117 0.145 0.000 1.010 189 I CA -1.047 60.208 61.300 -0.075 0.000 1.098 189 I CB 1.847 39.515 38.000 -0.553 0.000 1.266 189 I HN 0.635 nan 8.210 nan 0.000 0.434 190 F N 5.252 125.229 119.950 0.045 0.000 2.427 190 F HA 0.544 5.099 4.527 0.047 0.000 0.348 190 F C -0.289 175.609 175.800 0.163 0.000 1.125 190 F CA -0.269 57.829 58.000 0.162 0.000 0.989 190 F CB 1.480 40.578 39.000 0.162 0.000 1.165 190 F HN 0.321 nan 8.300 nan 0.000 0.442 191 T N 4.357 118.662 114.554 -0.414 0.000 2.824 191 T HA 0.377 4.754 4.350 0.044 0.000 0.280 191 T C -0.497 173.802 174.700 -0.668 0.000 0.995 191 T CA -0.427 61.396 62.100 -0.461 0.000 1.009 191 T CB 1.415 70.198 68.868 -0.141 0.000 0.955 191 T HN 0.621 nan 8.240 nan 0.000 0.452 192 T N 2.123 116.367 114.554 -0.517 0.000 2.812 192 T HA 0.276 4.653 4.350 0.044 0.000 0.282 192 T C 0.336 174.969 174.700 -0.112 0.000 0.990 192 T CA -0.657 61.315 62.100 -0.214 0.000 0.960 192 T CB 0.373 69.252 68.868 0.018 0.000 0.948 192 T HN 0.635 nan 8.240 nan 0.000 0.438 193 H N 2.863 121.967 119.070 0.057 0.000 2.567 193 H HA 0.570 5.152 4.556 0.043 0.000 0.294 193 H C 0.616 176.017 175.328 0.121 0.000 1.050 193 H CA 0.081 56.176 56.048 0.078 0.000 1.168 193 H CB 0.257 30.071 29.762 0.086 0.000 1.422 193 H HN 0.769 nan 8.280 nan 0.000 0.562 194 A N 0.372 123.335 122.820 0.239 0.000 2.450 194 A HA 0.280 4.627 4.320 0.044 0.000 0.300 194 A C -0.413 177.360 177.584 0.314 0.000 0.936 194 A CA -0.388 51.816 52.037 0.278 0.000 0.570 194 A CB 0.075 19.262 19.000 0.310 0.000 1.440 194 A HN 0.195 nan 8.150 nan 0.000 0.490 195 T N -1.088 113.674 114.554 0.348 0.000 2.924 195 T HA 0.670 5.047 4.350 0.044 0.000 0.291 195 T C 0.969 175.836 174.700 0.278 0.000 1.045 195 T CA -0.224 62.065 62.100 0.314 0.000 1.015 195 T CB 1.239 70.289 68.868 0.304 0.000 1.103 195 T HN 0.880 nan 8.240 nan 0.000 0.496 196 L N 0.674 122.036 121.223 0.231 0.000 2.027 196 L HA 0.046 4.413 4.340 0.044 0.000 0.206 196 L C 2.566 179.561 176.870 0.208 0.000 1.074 196 L CA 1.154 56.113 54.840 0.197 0.000 0.745 196 L CB -0.430 41.644 42.059 0.026 0.000 0.898 196 L HN 0.683 nan 8.230 nan 0.000 0.433 197 L N -1.079 120.251 121.223 0.179 0.000 2.093 197 L HA -0.108 4.258 4.340 0.044 0.000 0.208 197 L C 2.602 179.514 176.870 0.070 0.000 1.085 197 L CA 1.052 55.964 54.840 0.120 0.000 0.755 197 L CB -1.104 41.043 42.059 0.147 0.000 0.904 197 L HN 0.327 nan 8.230 nan 0.000 0.435 198 G N 0.193 109.061 108.800 0.113 0.000 2.514 198 G HA2 -0.277 3.709 3.960 0.044 0.000 0.217 198 G HA3 -0.277 3.709 3.960 0.044 0.000 0.217 198 G C 1.681 176.140 174.900 -0.735 0.000 1.198 198 G CA 0.618 45.641 45.100 -0.128 0.000 0.780 198 G HN 0.248 nan 8.290 nan 0.000 0.565 199 R N -0.653 119.568 120.500 -0.465 0.000 2.094 199 R HA -0.130 4.236 4.340 0.044 0.000 0.239 199 R C 2.423 178.385 176.300 -0.563 0.000 1.137 199 R CA 1.725 57.487 56.100 -0.564 0.000 0.943 199 R CB -0.854 29.299 30.300 -0.245 0.000 0.850 199 R HN 0.501 nan 8.270 nan 0.000 0.433 200 Y N 1.127 121.144 120.300 -0.472 0.000 2.274 200 Y HA -0.127 4.449 4.550 0.044 0.000 0.290 200 Y C 2.372 177.876 175.900 -0.659 0.000 1.145 200 Y CA 0.997 58.680 58.100 -0.695 0.000 1.203 200 Y CB -0.198 37.585 38.460 -1.128 0.000 0.984 200 Y HN 0.013 nan 8.280 nan 0.000 0.533 201 L N -1.804 119.243 121.223 -0.294 0.000 2.044 201 L HA -0.234 4.132 4.340 0.044 0.000 0.205 201 L C 2.118 178.902 176.870 -0.143 0.000 1.075 201 L CA 0.959 55.765 54.840 -0.056 0.000 0.747 201 L CB -0.728 41.403 42.059 0.120 0.000 0.903 201 L HN 0.241 nan 8.230 nan 0.000 0.435 202 C N 0.216 119.245 119.300 -0.451 0.000 2.466 202 C HA 0.028 4.515 4.460 0.044 0.000 0.283 202 C C 2.569 177.472 174.990 -0.144 0.000 1.472 202 C CA 0.376 59.180 59.018 -0.357 0.000 1.765 202 C CB -1.377 25.901 27.740 -0.771 0.000 1.724 202 C HN 0.509 nan 8.230 nan 0.000 0.560 203 A N 0.747 123.463 122.820 -0.174 0.000 2.259 203 A HA 0.085 4.431 4.320 0.044 0.000 0.208 203 A C 2.055 179.647 177.584 0.013 0.000 1.201 203 A CA 1.313 53.295 52.037 -0.092 0.000 0.824 203 A CB -0.282 18.613 19.000 -0.175 0.000 0.838 203 A HN 0.665 nan 8.150 nan 0.000 0.485 204 S N -1.803 113.930 115.700 0.056 0.000 2.591 204 S HA 0.536 5.033 4.470 0.044 0.000 0.235 204 S C 0.992 175.650 174.600 0.098 0.000 1.074 204 S CA 1.009 59.265 58.200 0.094 0.000 0.925 204 S CB -0.016 63.259 63.200 0.126 0.000 0.818 204 S HN 1.910 nan 8.310 nan 0.000 0.535 209 F N 0.653 120.732 119.950 0.215 0.000 1.948 209 F HA 0.238 4.791 4.527 0.042 0.000 0.221 209 F C 1.108 176.942 175.800 0.058 0.000 1.234 209 F CA -0.292 57.725 58.000 0.027 0.000 1.301 209 F CB -0.066 38.794 39.000 -0.233 0.000 1.848 209 F HN 0.415 nan 8.300 nan 0.000 0.260 210 Y N 2.091 122.498 120.300 0.177 0.000 2.425 210 Y HA -0.261 4.316 4.550 0.044 0.000 0.285 210 Y C 1.878 177.803 175.900 0.041 0.000 1.170 210 Y CA 1.407 59.523 58.100 0.027 0.000 1.304 210 Y CB -0.923 37.596 38.460 0.100 0.000 0.972 210 Y HN 0.200 nan 8.280 nan 0.000 0.558 211 N N -0.291 118.520 118.700 0.185 0.000 2.187 211 N HA -0.094 4.672 4.740 0.044 0.000 0.190 211 N C 1.559 177.109 175.510 0.066 0.000 1.052 211 N CA 1.626 54.758 53.050 0.137 0.000 0.863 211 N CB -1.024 37.548 38.487 0.142 0.000 1.041 211 N HN 0.386 nan 8.380 nan 0.000 0.447 212 C N 2.122 121.450 119.300 0.047 0.000 2.449 212 C HA 0.321 4.808 4.460 0.044 0.000 0.322 212 C C 2.108 177.070 174.990 -0.047 0.000 1.309 212 C CA -0.742 58.287 59.018 0.019 0.000 1.657 212 C CB -2.115 25.656 27.740 0.051 0.000 1.718 212 C HN 0.387 nan 8.230 nan 0.000 0.596 213 L N 0.012 121.139 121.223 -0.160 0.000 2.418 213 L HA 0.191 4.557 4.340 0.044 0.000 0.218 213 L C 1.975 178.706 176.870 -0.231 0.000 1.125 213 L CA 1.453 56.120 54.840 -0.288 0.000 0.835 213 L CB -1.190 40.438 42.059 -0.719 0.000 0.953 213 L HN 0.355 nan 8.230 nan 0.000 0.454 214 E N 0.630 120.698 120.200 -0.220 0.000 2.494 214 E HA 0.050 4.426 4.350 0.044 0.000 0.193 214 E C 0.715 177.302 176.600 -0.022 0.000 1.074 214 E CA 0.697 56.954 56.400 -0.237 0.000 0.867 214 E CB -0.198 29.323 29.700 -0.297 0.000 0.924 214 E HN 0.732 nan 8.360 nan 0.000 0.502 215 S N -0.586 115.104 115.700 -0.016 0.000 3.101 215 S HA 0.152 4.648 4.470 0.044 0.000 0.252 215 S C 0.162 174.775 174.600 0.021 0.000 0.920 215 S CA -0.612 57.599 58.200 0.019 0.000 1.158 215 S CB -0.210 63.002 63.200 0.020 0.000 1.125 215 S HN 0.089 nan 8.310 nan 0.000 0.608 216 V N -0.225 119.702 119.914 0.021 0.000 2.617 216 V HA 0.654 4.800 4.120 0.044 0.000 0.298 216 V C -0.249 175.870 176.094 0.042 0.000 1.048 216 V CA -0.715 61.608 62.300 0.038 0.000 0.964 216 V CB 1.155 33.010 31.823 0.053 0.000 1.004 216 V HN 0.253 nan 8.190 nan 0.000 0.466 217 D N 2.782 123.210 120.400 0.048 0.000 2.359 217 D HA 0.206 4.872 4.640 0.044 0.000 0.250 217 D C 1.119 177.447 176.300 0.047 0.000 1.264 217 D CA 0.214 54.242 54.000 0.047 0.000 0.911 217 D CB 1.278 42.098 40.800 0.034 0.000 1.056 217 D HN 0.569 nan 8.370 nan 0.000 0.499 218 V N 1.963 121.881 119.914 0.006 0.000 2.255 218 V HA -0.211 3.935 4.120 0.044 0.000 0.247 218 V C 1.637 177.622 176.094 -0.183 0.000 1.051 218 V CA 1.515 63.746 62.300 -0.114 0.000 1.018 218 V CB -0.585 31.177 31.823 -0.102 0.000 0.641 218 V HN 0.337 nan 8.190 nan 0.000 0.445 219 D N -0.570 119.806 120.400 -0.040 0.000 2.228 219 D HA -0.195 4.472 4.640 0.044 0.000 0.203 219 D C 2.103 178.414 176.300 0.018 0.000 0.988 219 D CA 1.909 55.948 54.000 0.065 0.000 0.864 219 D CB -0.411 40.469 40.800 0.134 0.000 0.928 219 D HN 0.797 nan 8.370 nan 0.000 0.469 220 H N 0.634 119.661 119.070 -0.072 0.000 2.399 220 H HA 0.037 4.620 4.556 0.044 0.000 0.300 220 H C 1.498 176.763 175.328 -0.105 0.000 1.048 220 H CA 0.779 56.772 56.048 -0.091 0.000 1.370 220 H CB 0.610 30.326 29.762 -0.077 0.000 1.428 220 H HN 0.029 nan 8.280 nan 0.000 0.534 221 E N 1.006 121.128 120.200 -0.130 0.000 2.072 221 E HA -0.083 4.293 4.350 0.044 0.000 0.191 221 E C 2.357 178.890 176.600 -0.111 0.000 0.985 221 E CA 0.809 57.108 56.400 -0.169 0.000 0.801 221 E CB -0.300 29.434 29.700 0.057 0.000 0.750 221 E HN 0.515 nan 8.360 nan 0.000 0.452 222 A N 1.648 124.407 122.820 -0.102 0.000 1.908 222 A HA -0.133 4.214 4.320 0.044 0.000 0.218 222 A C 2.495 180.065 177.584 -0.023 0.000 1.181 222 A CA 2.082 54.077 52.037 -0.070 0.000 0.627 222 A CB -1.220 17.650 19.000 -0.216 0.000 0.818 222 A HN 0.340 nan 8.150 nan 0.000 0.445 223 G N -0.422 108.323 108.800 -0.093 0.000 2.480 223 G HA2 -0.307 3.680 3.960 0.044 0.000 0.216 223 G HA3 -0.307 3.680 3.960 0.044 0.000 0.216 223 G C 1.672 176.430 174.900 -0.237 0.000 1.200 223 G CA 1.229 46.235 45.100 -0.157 0.000 0.782 223 G HN 0.622 nan 8.290 nan 0.000 0.554 224 R N -0.585 119.644 120.500 -0.452 0.000 2.174 224 R HA -0.132 4.234 4.340 0.044 0.000 0.253 224 R C 1.891 177.911 176.300 -0.467 0.000 1.165 224 R CA 1.684 57.461 56.100 -0.539 0.000 0.984 224 R CB -0.395 29.442 30.300 -0.771 0.000 0.873 224 R HN 0.402 nan 8.270 nan 0.000 0.456 225 F N -0.760 119.081 119.950 -0.182 0.000 2.754 225 F HA 0.337 4.891 4.527 0.045 0.000 0.297 225 F C 1.519 177.210 175.800 -0.181 0.000 1.122 225 F CA 0.629 58.516 58.000 -0.189 0.000 1.400 225 F CB 0.685 39.474 39.000 -0.351 0.000 1.117 225 F HN 0.263 nan 8.300 nan 0.000 0.587 226 G N 0.743 109.550 108.800 0.011 0.000 2.182 226 G HA2 -0.241 3.745 3.960 0.044 0.000 0.248 226 G HA3 -0.241 3.745 3.960 0.044 0.000 0.248 226 G C 0.618 175.540 174.900 0.036 0.000 1.042 226 G CA 0.289 45.417 45.100 0.047 0.000 0.775 226 G HN 0.223 nan 8.290 nan 0.000 0.501 227 I N -0.826 119.707 120.570 -0.062 0.000 4.154 227 I HA 0.209 4.405 4.170 0.044 0.000 0.334 227 I C 1.938 177.920 176.117 -0.224 0.000 1.371 227 I CA -0.703 60.433 61.300 -0.272 0.000 1.110 227 I CB -0.871 36.869 38.000 -0.434 0.000 1.085 227 I HN 0.316 nan 8.210 nan 0.000 0.398 228 Y N 3.388 123.641 120.300 -0.078 0.000 2.040 228 Y HA -0.352 4.224 4.550 0.045 0.000 0.275 228 Y C 2.959 178.881 175.900 0.037 0.000 1.171 228 Y CA 2.625 60.740 58.100 0.026 0.000 1.123 228 Y CB -0.419 38.097 38.460 0.092 0.000 0.963 228 Y HN 0.437 nan 8.280 nan 0.000 0.493 229 H N -0.605 118.459 119.070 -0.009 0.000 2.387 229 H HA -0.096 4.487 4.556 0.045 0.000 0.299 229 H C 2.107 177.328 175.328 -0.179 0.000 1.099 229 H CA 1.729 57.733 56.048 -0.074 0.000 1.315 229 H CB -0.790 28.991 29.762 0.031 0.000 1.380 229 H HN 0.372 nan 8.280 nan 0.000 0.513 230 R N -0.048 120.013 120.500 -0.731 0.000 2.066 230 R HA -0.137 4.230 4.340 0.044 0.000 0.232 230 R C 2.406 178.305 176.300 -0.668 0.000 1.131 230 R CA 1.354 56.962 56.100 -0.820 0.000 0.955 230 R CB -0.697 28.977 30.300 -1.043 0.000 0.851 230 R HN 0.320 nan 8.270 nan 0.000 0.432 231 Y N 1.333 121.281 120.300 -0.586 0.000 2.165 231 Y HA -0.325 4.252 4.550 0.044 0.000 0.286 231 Y C 2.292 177.967 175.900 -0.375 0.000 1.155 231 Y CA 1.240 59.085 58.100 -0.424 0.000 1.164 231 Y CB -0.400 37.868 38.460 -0.320 0.000 0.978 231 Y HN 0.055 nan 8.280 nan 0.000 0.513 232 C N 0.275 119.307 119.300 -0.447 0.000 2.425 232 C HA -0.167 4.319 4.460 0.044 0.000 0.277 232 C C 2.748 177.534 174.990 -0.340 0.000 1.280 232 C CA 1.228 59.994 59.018 -0.420 0.000 1.744 232 C CB -1.369 26.172 27.740 -0.331 0.000 1.989 232 C HN 0.622 nan 8.230 nan 0.000 0.491 233 I N 0.702 121.110 120.570 -0.271 0.000 2.252 233 I HA -0.195 4.002 4.170 0.044 0.000 0.245 233 I C 2.648 178.637 176.117 -0.214 0.000 1.102 233 I CA 1.654 62.855 61.300 -0.164 0.000 1.385 233 I CB -0.695 37.315 38.000 0.018 0.000 1.064 233 I HN 0.416 nan 8.210 nan 0.000 0.414 234 E N 1.203 121.249 120.200 -0.258 0.000 2.110 234 E HA -0.262 4.115 4.350 0.044 0.000 0.193 234 E C 2.399 178.795 176.600 -0.339 0.000 0.988 234 E CA 1.133 57.438 56.400 -0.159 0.000 0.804 234 E CB 0.057 29.676 29.700 -0.135 0.000 0.745 234 E HN 0.267 nan 8.360 nan 0.000 0.458 235 R N -0.177 120.012 120.500 -0.518 0.000 2.057 235 R HA -0.086 4.281 4.340 0.044 0.000 0.229 235 R C 2.317 178.393 176.300 -0.373 0.000 1.136 235 R CA 1.167 56.964 56.100 -0.505 0.000 0.952 235 R CB -0.320 29.635 30.300 -0.575 0.000 0.848 235 R HN 0.197 nan 8.270 nan 0.000 0.430 236 A N 1.051 123.687 122.820 -0.306 0.000 1.892 236 A HA -0.216 4.130 4.320 0.044 0.000 0.218 236 A C 2.371 179.731 177.584 -0.374 0.000 1.188 236 A CA 2.062 53.947 52.037 -0.254 0.000 0.631 236 A CB -0.948 17.915 19.000 -0.227 0.000 0.822 236 A HN 0.562 nan 8.150 nan 0.000 0.447 237 A N -0.250 122.252 122.820 -0.530 0.000 1.892 237 A HA 0.039 4.385 4.320 0.044 0.000 0.218 237 A C 2.521 179.570 177.584 -0.892 0.000 1.188 237 A CA 2.610 54.117 52.037 -0.883 0.000 0.631 237 A CB -1.116 17.037 19.000 -1.412 0.000 0.822 237 A HN 1.239 nan 8.150 nan 0.000 0.447 238 A N -1.949 120.393 122.820 -0.796 0.000 2.015 238 A HA -0.117 4.230 4.320 0.044 0.000 0.219 238 A C 1.997 179.112 177.584 -0.783 0.000 1.163 238 A CA 1.488 53.000 52.037 -0.875 0.000 0.646 238 A CB -0.682 17.536 19.000 -1.304 0.000 0.806 238 A HN 0.684 nan 8.150 nan 0.000 0.448 239 H N -0.917 117.903 119.070 -0.418 0.000 2.486 239 H HA 0.114 4.697 4.556 0.045 0.000 0.287 239 H C 2.114 177.308 175.328 -0.223 0.000 1.010 239 H CA 1.207 57.082 56.048 -0.288 0.000 1.324 239 H CB 0.037 29.651 29.762 -0.245 0.000 1.446 239 H HN 0.463 nan 8.280 nan 0.000 0.537 240 S N 0.728 116.337 115.700 -0.152 0.000 2.461 240 S HA 0.108 4.605 4.470 0.044 0.000 0.228 240 S C 1.332 175.851 174.600 -0.135 0.000 1.005 240 S CA 0.275 58.382 58.200 -0.155 0.000 0.942 240 S CB 0.007 63.075 63.200 -0.219 0.000 0.776 240 S HN 0.407 nan 8.310 nan 0.000 0.514 241 A N 1.800 124.543 122.820 -0.129 0.000 2.407 241 A HA 0.234 4.580 4.320 0.044 0.000 0.248 241 A C 0.703 178.277 177.584 -0.017 0.000 1.082 241 A CA -0.408 51.603 52.037 -0.043 0.000 0.785 241 A CB 0.171 19.219 19.000 0.079 0.000 1.020 241 A HN 0.112 nan 8.150 nan 0.000 0.489 242 D N 0.208 120.596 120.400 -0.020 0.000 2.149 242 D HA 0.030 4.697 4.640 0.044 0.000 0.201 242 D C 0.164 176.451 176.300 -0.022 0.000 0.972 242 D CA 1.403 55.379 54.000 -0.041 0.000 0.835 242 D CB -0.024 40.730 40.800 -0.076 0.000 0.966 242 D HN 0.198 nan 8.370 nan 0.000 0.476 243 V N 1.282 121.196 119.914 0.000 0.000 2.483 243 V HA 0.256 4.403 4.120 0.044 0.000 0.297 243 V C -1.020 175.141 176.094 0.111 0.000 1.027 243 V CA -1.010 61.296 62.300 0.010 0.000 0.855 243 V CB 2.210 33.989 31.823 -0.073 0.000 0.995 243 V HN -0.106 nan 8.190 nan 0.000 0.424 244 F N 5.183 125.111 119.950 -0.037 0.000 2.427 244 F HA 0.803 5.359 4.527 0.049 0.000 0.346 244 F C 0.334 176.102 175.800 -0.053 0.000 1.120 244 F CA -0.376 57.620 58.000 -0.007 0.000 1.033 244 F CB 1.556 40.563 39.000 0.011 0.000 1.126 244 F HN 0.643 nan 8.300 nan 0.000 0.462 245 T N 1.457 115.654 114.554 -0.594 0.000 2.887 245 T HA 0.857 5.233 4.350 0.044 0.000 0.292 245 T C -0.326 173.940 174.700 -0.723 0.000 1.087 245 T CA -0.404 61.332 62.100 -0.607 0.000 1.009 245 T CB 1.729 70.382 68.868 -0.357 0.000 1.203 245 T HN 0.787 nan 8.240 nan 0.000 0.518 246 T N -2.158 112.103 114.554 -0.488 0.000 2.865 246 T HA 0.528 4.905 4.350 0.044 0.000 0.294 246 T C 1.320 175.853 174.700 -0.279 0.000 1.119 246 T CA -0.161 61.718 62.100 -0.368 0.000 1.007 246 T CB 1.090 69.808 68.868 -0.249 0.000 1.225 246 T HN 1.051 nan 8.240 nan 0.000 0.515 247 V N -0.681 119.079 119.914 -0.257 0.000 2.667 247 V HA 0.246 4.393 4.120 0.044 0.000 0.252 247 V C 1.028 177.063 176.094 -0.098 0.000 1.065 247 V CA 1.015 63.175 62.300 -0.234 0.000 1.083 247 V CB -1.448 30.253 31.823 -0.204 0.000 0.692 247 V HN 1.148 nan 8.190 nan 0.000 0.468 248 S N -2.373 113.339 115.700 0.020 0.000 2.595 248 S HA 0.461 4.957 4.470 0.044 0.000 0.281 248 S C 0.387 175.052 174.600 0.108 0.000 1.117 248 S CA -0.622 57.665 58.200 0.145 0.000 0.873 248 S CB 2.343 65.688 63.200 0.242 0.000 1.108 248 S HN 0.033 nan 8.310 nan 0.000 0.477 249 Q N 0.464 120.348 119.800 0.139 0.000 2.030 249 Q HA -0.096 4.271 4.340 0.044 0.000 0.204 249 Q C 1.877 177.969 176.000 0.154 0.000 0.986 249 Q CA 1.977 57.855 55.803 0.125 0.000 0.843 249 Q CB -0.676 28.132 28.738 0.117 0.000 0.904 249 Q HN 0.869 nan 8.270 nan 0.000 0.420 250 I N 0.348 121.008 120.570 0.149 0.000 2.163 250 I HA -0.230 3.967 4.170 0.044 0.000 0.243 250 I C 1.892 178.196 176.117 0.312 0.000 1.085 250 I CA 1.811 63.232 61.300 0.202 0.000 1.347 250 I CB -0.694 37.382 38.000 0.126 0.000 1.044 250 I HN 0.091 nan 8.210 nan 0.000 0.408 251 T N 0.894 115.583 114.554 0.226 0.000 2.881 251 T HA -0.056 4.320 4.350 0.044 0.000 0.270 251 T C 1.876 176.692 174.700 0.194 0.000 1.068 251 T CA 1.188 63.419 62.100 0.218 0.000 1.131 251 T CB -0.462 68.487 68.868 0.134 0.000 0.871 251 T HN 0.542 nan 8.240 nan 0.000 0.479 252 A N 0.656 123.572 122.820 0.161 0.000 1.969 252 A HA 0.046 4.392 4.320 0.044 0.000 0.218 252 A C 1.936 179.645 177.584 0.208 0.000 1.169 252 A CA 1.001 53.105 52.037 0.113 0.000 0.635 252 A CB -0.757 18.281 19.000 0.064 0.000 0.810 252 A HN 0.587 nan 8.150 nan 0.000 0.445 253 F N 0.872 120.912 119.950 0.151 0.000 2.128 253 F HA -0.104 4.448 4.527 0.043 0.000 0.295 253 F C 2.134 178.088 175.800 0.257 0.000 1.100 253 F CA 1.962 60.088 58.000 0.209 0.000 1.260 253 F CB -0.267 38.843 39.000 0.183 0.000 1.009 253 F HN 0.386 nan 8.300 nan 0.000 0.476 254 E N 0.678 120.931 120.200 0.087 0.000 2.097 254 E HA -0.274 4.103 4.350 0.044 0.000 0.196 254 E C 2.204 178.835 176.600 0.053 0.000 1.000 254 E CA 1.339 57.736 56.400 -0.004 0.000 0.804 254 E CB -0.392 29.484 29.700 0.293 0.000 0.740 254 E HN 0.528 nan 8.360 nan 0.000 0.454 255 A N 1.157 124.062 122.820 0.143 0.000 1.873 255 A HA -0.218 4.128 4.320 0.044 0.000 0.215 255 A C 2.086 179.770 177.584 0.167 0.000 1.186 255 A CA 1.578 53.737 52.037 0.203 0.000 0.616 255 A CB -0.633 18.513 19.000 0.244 0.000 0.823 255 A HN 0.492 nan 8.150 nan 0.000 0.442 256 E N -0.865 119.399 120.200 0.108 0.000 2.070 256 E HA -0.299 4.078 4.350 0.044 0.000 0.197 256 E C 1.739 178.279 176.600 -0.100 0.000 1.004 256 E CA 1.847 58.255 56.400 0.014 0.000 0.805 256 E CB -0.201 29.469 29.700 -0.050 0.000 0.744 256 E HN 0.800 nan 8.360 nan 0.000 0.451 257 H N -0.750 118.253 119.070 -0.112 0.000 2.482 257 H HA 0.121 4.703 4.556 0.043 0.000 0.286 257 H C 1.783 177.094 175.328 -0.029 0.000 1.017 257 H CA 0.917 56.898 56.048 -0.111 0.000 1.322 257 H CB 0.288 29.891 29.762 -0.265 0.000 1.426 257 H HN 0.148 nan 8.280 nan 0.000 0.546 258 L N -0.567 120.726 121.223 0.116 0.000 2.253 258 L HA 0.049 4.416 4.340 0.044 0.000 0.205 258 L C 1.390 178.412 176.870 0.254 0.000 1.078 258 L CA 0.639 55.582 54.840 0.172 0.000 0.805 258 L CB 0.129 42.299 42.059 0.185 0.000 0.963 258 L HN 0.242 nan 8.230 nan 0.000 0.459 259 L N -1.096 120.225 121.223 0.165 0.000 2.513 259 L HA 0.110 4.477 4.340 0.044 0.000 0.222 259 L C 0.292 177.188 176.870 0.043 0.000 1.096 259 L CA -0.044 54.829 54.840 0.054 0.000 0.857 259 L CB 0.278 42.296 42.059 -0.067 0.000 1.026 259 L HN 0.111 nan 8.230 nan 0.000 0.469 260 K N 0.955 121.400 120.400 0.074 0.000 3.235 260 K HA -0.155 4.191 4.320 0.044 0.000 0.273 260 K C -0.132 176.543 176.600 0.126 0.000 1.183 260 K CA 0.605 56.948 56.287 0.094 0.000 0.807 260 K CB -1.721 30.868 32.500 0.147 0.000 1.297 260 K HN 0.459 nan 8.250 nan 0.000 0.508 261 R N 0.555 121.076 120.500 0.036 0.000 2.566 261 R HA 0.293 4.659 4.340 0.044 0.000 0.271 261 R C -1.132 175.280 176.300 0.186 0.000 1.071 261 R CA -0.863 55.277 56.100 0.066 0.000 0.915 261 R CB 1.535 31.742 30.300 -0.155 0.000 1.228 261 R HN 0.131 nan 8.270 nan 0.000 0.449 262 K N 5.084 125.573 120.400 0.149 0.000 2.349 262 K HA 0.272 4.618 4.320 0.044 0.000 0.289 262 K C -2.187 174.525 176.600 0.187 0.000 1.064 262 K CA -1.647 54.724 56.287 0.139 0.000 0.947 262 K CB 0.823 33.367 32.500 0.073 0.000 1.007 262 K HN 0.304 nan 8.250 nan 0.000 0.478 263 P HA -0.064 nan 4.420 nan 0.000 0.264 263 P C -0.682 176.592 177.300 -0.042 0.000 1.183 263 P CA 0.150 63.182 63.100 -0.113 0.000 0.763 263 P CB 0.540 32.078 31.700 -0.269 0.000 0.807 264 D N 1.286 121.656 120.400 -0.050 0.000 2.349 264 D HA 0.167 4.834 4.640 0.044 0.000 0.224 264 D C 1.167 177.433 176.300 -0.055 0.000 1.029 264 D CA 0.833 54.816 54.000 -0.028 0.000 0.879 264 D CB 0.168 40.957 40.800 -0.018 0.000 0.906 264 D HN 0.534 nan 8.370 nan 0.000 0.528 265 G N -0.398 108.343 108.800 -0.098 0.000 2.322 265 G HA2 0.344 4.331 3.960 0.044 0.000 0.295 265 G HA3 0.344 4.331 3.960 0.044 0.000 0.295 265 G C -1.881 172.944 174.900 -0.126 0.000 1.369 265 G CA -0.751 44.297 45.100 -0.086 0.000 0.821 265 G HN -0.081 nan 8.290 nan 0.000 0.536 266 I N 0.374 120.892 120.570 -0.087 0.000 2.474 266 I HA 0.522 4.719 4.170 0.044 0.000 0.294 266 I C -0.191 175.855 176.117 -0.119 0.000 1.005 266 I CA -1.071 60.169 61.300 -0.101 0.000 1.113 266 I CB 1.501 39.483 38.000 -0.030 0.000 1.289 266 I HN 0.406 nan 8.210 nan 0.000 0.436 267 L N 7.381 128.501 121.223 -0.171 0.000 2.502 267 L HA 0.336 4.703 4.340 0.044 0.000 0.247 267 L C -2.372 174.403 176.870 -0.159 0.000 1.180 267 L CA -1.535 53.234 54.840 -0.118 0.000 0.956 267 L CB 0.993 42.883 42.059 -0.281 0.000 1.282 267 L HN 0.262 nan 8.230 nan 0.000 0.470 268 P HA 0.054 nan 4.420 nan 0.000 0.268 268 P C -0.743 175.986 177.300 -0.951 0.000 1.205 268 P CA -0.223 62.376 63.100 -0.835 0.000 0.771 268 P CB 0.482 31.605 31.700 -0.961 0.000 0.858 269 N N 1.250 118.937 118.700 -1.688 0.000 2.411 269 N HA 0.302 5.068 4.740 0.044 0.000 0.259 269 N C 0.723 175.594 175.510 -1.065 0.000 1.103 269 N CA 0.154 52.485 53.050 -1.198 0.000 0.954 269 N CB 0.580 38.299 38.487 -1.281 0.000 1.085 269 N HN 0.454 nan 8.380 nan 0.000 0.485 270 G N 0.842 108.688 108.800 -1.591 0.000 2.535 270 G HA2 0.647 4.633 3.960 0.044 0.000 0.303 270 G HA3 0.647 4.633 3.960 0.044 0.000 0.303 270 G C -0.468 173.858 174.900 -0.956 0.000 1.237 270 G CA -0.285 44.016 45.100 -1.331 0.000 0.986 270 G HN 0.357 nan 8.290 nan 0.000 0.494 271 L N -1.231 119.707 121.223 -0.475 0.000 2.283 271 L HA 0.423 4.789 4.340 0.044 0.000 0.259 271 L C -0.085 176.866 176.870 0.135 0.000 1.027 271 L CA -0.943 53.908 54.840 0.018 0.000 0.828 271 L CB 1.788 43.977 42.059 0.217 0.000 1.380 271 L HN 0.359 nan 8.230 nan 0.000 0.425 272 N N -0.397 118.470 118.700 0.277 0.000 2.968 272 N HA 0.178 4.944 4.740 0.044 0.000 0.271 272 N C 0.895 176.539 175.510 0.224 0.000 1.174 272 N CA 0.026 53.211 53.050 0.225 0.000 1.096 272 N CB 0.377 38.938 38.487 0.124 0.000 1.403 272 N HN 0.460 nan 8.380 nan 0.000 0.522 273 V N 1.992 122.043 119.914 0.228 0.000 2.453 273 V HA -0.268 3.878 4.120 0.044 0.000 0.252 273 V C 2.164 178.413 176.094 0.258 0.000 1.068 273 V CA 1.355 63.825 62.300 0.282 0.000 1.070 273 V CB -0.575 31.335 31.823 0.145 0.000 0.664 273 V HN 0.695 nan 8.190 nan 0.000 0.461 274 I N 0.372 121.025 120.570 0.139 0.000 2.423 274 I HA -0.280 3.916 4.170 0.044 0.000 0.254 274 I C 2.434 178.573 176.117 0.037 0.000 1.151 274 I CA 1.847 63.195 61.300 0.079 0.000 1.421 274 I CB -0.191 37.831 38.000 0.038 0.000 1.079 274 I HN 0.323 nan 8.210 nan 0.000 0.431 275 K N 0.120 120.507 120.400 -0.022 0.000 2.555 275 K HA -0.123 4.224 4.320 0.044 0.000 0.193 275 K C 1.074 177.418 176.600 -0.426 0.000 1.032 275 K CA 1.049 57.196 56.287 -0.234 0.000 1.004 275 K CB -0.011 32.289 32.500 -0.333 0.000 0.804 275 K HN 0.324 nan 8.250 nan 0.000 0.496 276 F N 0.263 120.221 119.950 0.013 0.000 2.482 276 F HA 0.200 4.753 4.527 0.043 0.000 0.278 276 F C 1.092 176.901 175.800 0.014 0.000 0.969 276 F CA -0.256 57.754 58.000 0.017 0.000 1.223 276 F CB -0.070 38.946 39.000 0.025 0.000 1.140 276 F HN -0.123 nan 8.300 nan 0.000 0.672 286 H N 1.299 120.375 119.070 0.010 0.000 2.319 286 H HA -0.149 4.433 4.556 0.044 0.000 0.297 286 H C 1.819 177.153 175.328 0.010 0.000 1.097 286 H CA 2.760 58.808 56.048 -0.002 0.000 1.285 286 H CB 0.156 29.927 29.762 0.015 0.000 1.368 286 H HN 0.422 nan 8.280 nan 0.000 0.495 287 A N 0.679 123.481 122.820 -0.029 0.000 1.877 287 A HA -0.133 4.214 4.320 0.044 0.000 0.216 287 A C 2.449 179.982 177.584 -0.085 0.000 1.186 287 A CA 1.583 53.583 52.037 -0.063 0.000 0.620 287 A CB -1.068 17.975 19.000 0.071 0.000 0.822 287 A HN 0.500 nan 8.150 nan 0.000 0.443 288 L N -0.975 120.223 121.223 -0.041 0.000 2.079 288 L HA -0.147 4.219 4.340 0.044 0.000 0.210 288 L C 1.985 178.819 176.870 -0.060 0.000 1.081 288 L CA 2.310 57.131 54.840 -0.031 0.000 0.752 288 L CB -0.321 41.732 42.059 -0.011 0.000 0.896 288 L HN 0.193 nan 8.230 nan 0.000 0.433 289 K N -0.619 119.717 120.400 -0.107 0.000 2.166 289 K HA 0.004 4.350 4.320 0.044 0.000 0.201 289 K C 2.041 178.544 176.600 -0.161 0.000 1.052 289 K CA 0.697 56.909 56.287 -0.125 0.000 0.969 289 K CB -0.232 32.189 32.500 -0.132 0.000 0.761 289 K HN 0.149 nan 8.250 nan 0.000 0.459 290 K N 0.881 121.131 120.400 -0.250 0.000 2.152 290 K HA -0.178 4.168 4.320 0.044 0.000 0.206 290 K C 1.483 178.083 176.600 0.001 0.000 1.048 290 K CA 1.262 57.448 56.287 -0.168 0.000 0.933 290 K CB 0.168 32.501 32.500 -0.279 0.000 0.721 290 K HN 0.045 nan 8.250 nan 0.000 0.447 291 E N 0.744 120.936 120.200 -0.013 0.000 2.106 291 E HA -0.141 4.235 4.350 0.044 0.000 0.192 291 E C 1.885 178.506 176.600 0.035 0.000 0.984 291 E CA 0.877 57.298 56.400 0.036 0.000 0.806 291 E CB 0.097 29.810 29.700 0.022 0.000 0.750 291 E HN 0.211 nan 8.360 nan 0.000 0.458 292 K N 0.473 120.873 120.400 -0.001 0.000 2.103 292 K HA -0.094 4.253 4.320 0.044 0.000 0.207 292 K C 2.283 178.898 176.600 0.025 0.000 1.048 292 K CA 0.763 57.050 56.287 0.000 0.000 0.930 292 K CB -0.274 32.207 32.500 -0.031 0.000 0.716 292 K HN 0.230 nan 8.250 nan 0.000 0.444 293 I N 1.503 122.068 120.570 -0.008 0.000 2.252 293 I HA -0.269 3.927 4.170 0.044 0.000 0.245 293 I C 1.851 178.048 176.117 0.133 0.000 1.102 293 I CA 0.809 62.098 61.300 -0.018 0.000 1.385 293 I CB -0.432 37.392 38.000 -0.292 0.000 1.064 293 I HN 0.134 nan 8.210 nan 0.000 0.414 294 N N 1.256 120.068 118.700 0.186 0.000 2.036 294 N HA -0.220 4.547 4.740 0.044 0.000 0.195 294 N C 1.457 177.048 175.510 0.136 0.000 1.037 294 N CA 1.638 54.833 53.050 0.241 0.000 0.855 294 N CB -0.610 38.004 38.487 0.212 0.000 1.033 294 N HN 0.306 nan 8.380 nan 0.000 0.423 295 D N 0.047 120.509 120.400 0.103 0.000 2.158 295 D HA -0.169 4.498 4.640 0.044 0.000 0.197 295 D C 1.752 178.109 176.300 0.095 0.000 0.995 295 D CA 0.648 54.689 54.000 0.069 0.000 0.846 295 D CB -0.388 40.446 40.800 0.057 0.000 0.941 295 D HN 0.280 nan 8.370 nan 0.000 0.456 296 F N 1.267 121.234 119.950 0.028 0.000 2.128 296 F HA -0.145 4.408 4.527 0.044 0.000 0.295 296 F C 2.132 178.028 175.800 0.159 0.000 1.100 296 F CA 0.848 58.883 58.000 0.059 0.000 1.260 296 F CB -0.457 38.558 39.000 0.025 0.000 1.009 296 F HN -0.217 nan 8.300 nan 0.000 0.476 297 V N 1.541 121.398 119.914 -0.095 0.000 2.469 297 V HA -0.298 3.849 4.120 0.044 0.000 0.251 297 V C 2.518 178.533 176.094 -0.132 0.000 1.064 297 V CA 2.208 64.476 62.300 -0.053 0.000 1.066 297 V CB -0.849 31.124 31.823 0.250 0.000 0.667 297 V HN 0.337 nan 8.190 nan 0.000 0.461 298 R N 0.157 120.502 120.500 -0.259 0.000 2.073 298 R HA -0.024 4.343 4.340 0.044 0.000 0.229 298 R C 2.480 178.662 176.300 -0.196 0.000 1.120 298 R CA 1.277 57.115 56.100 -0.438 0.000 0.967 298 R CB -0.714 29.377 30.300 -0.350 0.000 0.862 298 R HN 0.568 nan 8.270 nan 0.000 0.436 299 G N -0.160 108.571 108.800 -0.114 0.000 2.509 299 G HA2 -0.248 3.738 3.960 0.044 0.000 0.218 299 G HA3 -0.248 3.738 3.960 0.044 0.000 0.218 299 G C 1.171 176.095 174.900 0.040 0.000 1.124 299 G CA 0.462 45.544 45.100 -0.030 0.000 0.776 299 G HN 0.366 nan 8.290 nan 0.000 0.547 300 H N -0.848 118.095 119.070 -0.211 0.000 2.451 300 H HA 0.159 4.742 4.556 0.045 0.000 0.294 300 H C 0.877 176.029 175.328 -0.294 0.000 1.028 300 H CA 0.254 56.135 56.048 -0.278 0.000 1.349 300 H CB 0.273 29.670 29.762 -0.609 0.000 1.444 300 H HN 0.375 nan 8.280 nan 0.000 0.538 301 F N 1.743 121.579 119.950 -0.191 0.000 2.645 301 F HA 0.075 4.628 4.527 0.044 0.000 0.300 301 F C 0.508 176.182 175.800 -0.211 0.000 1.115 301 F CA -0.582 57.310 58.000 -0.180 0.000 1.355 301 F CB -0.336 38.663 39.000 -0.002 0.000 1.026 301 F HN 0.269 nan 8.300 nan 0.000 0.536 302 H N -1.102 117.944 119.070 -0.039 0.000 3.038 302 H HA 0.337 4.919 4.556 0.044 0.000 0.338 302 H C 1.343 176.674 175.328 0.006 0.000 1.041 302 H CA -0.145 55.885 56.048 -0.031 0.000 1.394 302 H CB 0.307 30.032 29.762 -0.062 0.000 1.357 302 H HN 0.313 nan 8.280 nan 0.000 0.600 303 G N 1.565 110.442 108.800 0.128 0.000 2.205 303 G HA2 -0.337 3.649 3.960 0.044 0.000 0.261 303 G HA3 -0.337 3.649 3.960 0.044 0.000 0.261 303 G C 0.481 175.405 174.900 0.040 0.000 0.980 303 G CA 0.495 45.643 45.100 0.079 0.000 0.632 303 G HN 1.746 nan 8.290 nan 0.000 0.533 304 C N -3.162 116.180 119.300 0.070 0.000 2.945 304 C HA 0.613 5.099 4.460 0.044 0.000 0.216 304 C C -0.302 174.819 174.990 0.219 0.000 1.319 304 C CA -1.363 57.724 59.018 0.115 0.000 1.036 304 C CB -1.057 26.735 27.740 0.087 0.000 1.871 304 C HN 0.905 nan 8.230 nan 0.000 0.660 305 F N 4.231 124.153 119.950 -0.047 0.000 2.425 305 F HA 0.452 5.005 4.527 0.044 0.000 0.354 305 F C 0.644 176.272 175.800 -0.287 0.000 1.162 305 F CA -0.803 57.062 58.000 -0.226 0.000 1.250 305 F CB 0.247 39.120 39.000 -0.211 0.000 1.579 305 F HN 0.628 nan 8.300 nan 0.000 0.589 306 D N 2.616 122.854 120.400 -0.270 0.000 2.388 306 D HA 0.133 4.800 4.640 0.044 0.000 0.221 306 D C -0.302 175.887 176.300 -0.185 0.000 1.133 306 D CA -0.042 53.840 54.000 -0.197 0.000 0.831 306 D CB -0.682 40.133 40.800 0.025 0.000 0.962 306 D HN 0.177 nan 8.370 nan 0.000 0.502 307 F N -1.748 117.966 119.950 -0.393 0.000 2.640 307 F HA 0.620 5.174 4.527 0.044 0.000 0.324 307 F C -0.700 174.872 175.800 -0.380 0.000 1.077 307 F CA -1.800 56.022 58.000 -0.296 0.000 0.965 307 F CB 0.979 39.875 39.000 -0.173 0.000 1.351 307 F HN -0.350 nan 8.300 nan 0.000 0.487 308 D N 1.546 121.949 120.400 0.005 0.000 2.359 308 D HA 0.299 4.966 4.640 0.044 0.000 0.230 308 D C 0.842 177.191 176.300 0.082 0.000 1.118 308 D CA -0.170 53.801 54.000 -0.049 0.000 0.844 308 D CB 1.160 41.934 40.800 -0.043 0.000 1.059 308 D HN 0.684 nan 8.370 nan 0.000 0.493 309 L N 2.468 123.758 121.223 0.113 0.000 2.191 309 L HA -0.115 4.251 4.340 0.044 0.000 0.212 309 L C 1.120 178.048 176.870 0.097 0.000 1.103 309 L CA 0.819 55.775 54.840 0.192 0.000 0.769 309 L CB -0.053 42.172 42.059 0.275 0.000 0.908 309 L HN 0.413 nan 8.230 nan 0.000 0.438 310 D N -0.220 120.217 120.400 0.061 0.000 2.392 310 D HA -0.113 4.554 4.640 0.044 0.000 0.228 310 D C 0.956 177.252 176.300 -0.007 0.000 1.003 310 D CA 0.867 54.887 54.000 0.033 0.000 0.917 310 D CB -0.050 40.763 40.800 0.022 0.000 0.890 310 D HN 0.195 nan 8.370 nan 0.000 0.532 311 N N -0.497 118.193 118.700 -0.016 0.000 2.387 311 N HA -0.000 4.766 4.740 0.044 0.000 0.259 311 N C -1.172 174.285 175.510 -0.088 0.000 1.369 311 N CA -0.061 52.956 53.050 -0.056 0.000 0.867 311 N CB 0.793 39.254 38.487 -0.044 0.000 1.341 311 N HN -0.044 nan 8.380 nan 0.000 0.495 312 T N -1.579 112.913 114.554 -0.104 0.000 2.856 312 T HA 0.641 5.017 4.350 0.044 0.000 0.283 312 T C -0.347 174.162 174.700 -0.318 0.000 1.008 312 T CA -0.713 61.271 62.100 -0.194 0.000 0.997 312 T CB 1.384 70.172 68.868 -0.133 0.000 0.992 312 T HN -0.053 nan 8.240 nan 0.000 0.454 313 L N 2.525 123.563 121.223 -0.309 0.000 2.325 313 L HA 0.504 4.870 4.340 0.044 0.000 0.278 313 L C -1.003 175.877 176.870 0.016 0.000 1.023 313 L CA -1.315 53.415 54.840 -0.183 0.000 0.811 313 L CB 1.388 43.401 42.059 -0.077 0.000 1.249 313 L HN 0.678 nan 8.230 nan 0.000 0.431 314 Y N 2.053 122.749 120.300 0.661 0.000 2.385 314 Y HA 0.435 5.011 4.550 0.043 0.000 0.341 314 Y C -0.142 176.193 175.900 0.725 0.000 0.965 314 Y CA -0.723 57.723 58.100 0.577 0.000 1.180 314 Y CB 0.660 39.426 38.460 0.511 0.000 1.139 314 Y HN 0.217 nan 8.280 nan 0.000 0.502 315 F N 4.527 124.790 119.950 0.522 0.000 2.399 315 F HA 0.582 5.137 4.527 0.046 0.000 0.328 315 F C -0.220 175.918 175.800 0.563 0.000 1.084 315 F CA -2.156 56.068 58.000 0.374 0.000 1.053 315 F CB 1.184 40.348 39.000 0.273 0.000 1.209 315 F HN 0.357 nan 8.300 nan 0.000 0.502 316 F N 2.416 122.572 119.950 0.344 0.000 2.615 316 F HA 0.678 5.231 4.527 0.042 0.000 0.312 316 F C -1.992 173.698 175.800 -0.182 0.000 1.119 316 F CA -1.079 57.076 58.000 0.259 0.000 0.979 316 F CB 1.118 40.340 39.000 0.371 0.000 1.266 316 F HN 0.392 nan 8.300 nan 0.000 0.444 317 I N 3.672 124.122 120.570 -0.200 0.000 2.530 317 I HA 0.915 5.111 4.170 0.044 0.000 0.297 317 I C -1.076 175.197 176.117 0.260 0.000 1.011 317 I CA -0.699 60.379 61.300 -0.371 0.000 1.107 317 I CB 1.648 39.088 38.000 -0.934 0.000 1.285 317 I HN 1.105 nan 8.210 nan 0.000 0.436 318 A N 4.402 127.495 122.820 0.455 0.000 2.593 318 A HA 0.990 5.337 4.320 0.044 0.000 0.290 318 A C -0.357 177.410 177.584 0.304 0.000 1.126 318 A CA 0.008 52.326 52.037 0.468 0.000 0.695 318 A CB 1.354 20.825 19.000 0.785 0.000 1.290 318 A HN 1.393 nan 8.150 nan 0.000 0.414 319 G N -0.334 108.588 108.800 0.203 0.000 2.331 319 G HA2 0.219 4.205 3.960 0.044 0.000 0.479 319 G HA3 0.219 4.205 3.960 0.044 0.000 0.479 319 G C -0.529 174.452 174.900 0.134 0.000 1.262 319 G CA -0.408 44.782 45.100 0.149 0.000 1.029 319 G HN 0.842 nan 8.290 nan 0.000 0.487 320 R N -0.724 119.870 120.500 0.157 0.000 2.679 320 R HA 0.158 4.525 4.340 0.044 0.000 0.268 320 R C -0.430 175.992 176.300 0.204 0.000 1.044 320 R CA -0.335 55.872 56.100 0.179 0.000 1.105 320 R CB 0.072 30.473 30.300 0.167 0.000 0.989 320 R HN 0.517 nan 8.270 nan 0.000 0.447 321 Y N 3.571 123.914 120.300 0.072 0.000 2.530 321 Y HA 0.064 4.640 4.550 0.044 0.000 0.340 321 Y C -0.665 175.298 175.900 0.104 0.000 1.247 321 Y CA -0.202 57.951 58.100 0.088 0.000 1.727 321 Y CB -0.120 38.385 38.460 0.074 0.000 1.613 321 Y HN 0.483 nan 8.280 nan 0.000 0.464 322 E N 4.941 125.386 120.200 0.408 0.000 2.376 322 E HA -0.006 4.370 4.350 0.044 0.000 0.236 322 E C 0.265 177.061 176.600 0.326 0.000 0.962 322 E CA -0.387 56.204 56.400 0.318 0.000 0.768 322 E CB 0.498 30.319 29.700 0.202 0.000 1.236 322 E HN 0.761 nan 8.360 nan 0.000 0.431 323 Y N 3.786 124.274 120.300 0.312 0.000 2.002 323 Y HA -0.425 4.152 4.550 0.045 0.000 0.268 323 Y C 2.281 178.268 175.900 0.145 0.000 1.177 323 Y CA 2.315 60.548 58.100 0.223 0.000 1.111 323 Y CB 0.182 38.792 38.460 0.249 0.000 0.952 323 Y HN 0.262 nan 8.280 nan 0.000 0.491 324 K N 0.537 121.017 120.400 0.133 0.000 2.001 324 K HA -0.150 4.196 4.320 0.044 0.000 0.208 324 K C 1.674 178.333 176.600 0.098 0.000 1.048 324 K CA 2.094 58.397 56.287 0.026 0.000 0.932 324 K CB -0.498 32.088 32.500 0.144 0.000 0.715 324 K HN 0.349 nan 8.250 nan 0.000 0.437 325 N N 0.555 119.364 118.700 0.181 0.000 2.188 325 N HA -0.102 4.664 4.740 0.044 0.000 0.184 325 N C 1.283 176.901 175.510 0.181 0.000 1.018 325 N CA 0.941 54.133 53.050 0.237 0.000 0.858 325 N CB -0.077 38.545 38.487 0.225 0.000 0.989 325 N HN 0.099 nan 8.380 nan 0.000 0.426 326 K N -0.014 120.460 120.400 0.124 0.000 2.366 326 K HA 0.093 4.440 4.320 0.044 0.000 0.198 326 K C 0.689 177.319 176.600 0.051 0.000 1.044 326 K CA 0.460 56.801 56.287 0.091 0.000 0.973 326 K CB -0.301 32.248 32.500 0.083 0.000 0.767 326 K HN 0.323 nan 8.250 nan 0.000 0.475 327 G N 0.588 109.395 108.800 0.012 0.000 2.204 327 G HA2 -0.281 3.706 3.960 0.044 0.000 0.244 327 G HA3 -0.281 3.706 3.960 0.044 0.000 0.244 327 G C 0.921 175.772 174.900 -0.083 0.000 1.062 327 G CA 0.541 45.622 45.100 -0.032 0.000 0.798 327 G HN 0.352 nan 8.290 nan 0.000 0.496 328 A N 0.538 123.250 122.820 -0.179 0.000 1.902 328 A HA 0.074 4.421 4.320 0.044 0.000 0.217 328 A C 2.293 179.787 177.584 -0.149 0.000 1.181 328 A CA 2.313 54.269 52.037 -0.136 0.000 0.623 328 A CB -0.394 18.524 19.000 -0.138 0.000 0.818 328 A HN 0.911 nan 8.150 nan 0.000 0.443 329 D N 0.164 120.251 120.400 -0.522 0.000 2.108 329 D HA -0.279 4.388 4.640 0.044 0.000 0.190 329 D C 1.880 178.129 176.300 -0.084 0.000 0.995 329 D CA 1.937 55.741 54.000 -0.326 0.000 0.834 329 D CB -0.897 39.633 40.800 -0.450 0.000 0.967 329 D HN 0.433 nan 8.370 nan 0.000 0.446 330 M N -1.041 118.512 119.600 -0.077 0.000 2.106 330 M HA -0.128 4.379 4.480 0.044 0.000 0.259 330 M C 2.187 178.508 176.300 0.035 0.000 1.068 330 M CA 1.432 56.724 55.300 -0.013 0.000 1.100 330 M CB -0.349 32.250 32.600 -0.001 0.000 1.351 330 M HN 0.026 nan 8.290 nan 0.000 0.404 331 F N 1.228 121.127 119.950 -0.085 0.000 2.026 331 F HA -0.248 4.306 4.527 0.045 0.000 0.296 331 F C 1.978 177.756 175.800 -0.036 0.000 1.133 331 F CA 1.839 59.799 58.000 -0.067 0.000 1.188 331 F CB -0.525 38.427 39.000 -0.080 0.000 0.968 331 F HN -0.022 nan 8.300 nan 0.000 0.476 332 I N 0.213 120.774 120.570 -0.015 0.000 2.118 332 I HA -0.320 3.877 4.170 0.044 0.000 0.241 332 I C 2.431 178.469 176.117 -0.131 0.000 1.070 332 I CA 1.897 63.130 61.300 -0.112 0.000 1.327 332 I CB -0.651 37.356 38.000 0.011 0.000 1.034 332 I HN 0.206 nan 8.210 nan 0.000 0.405 333 E N 1.417 121.577 120.200 -0.067 0.000 2.033 333 E HA -0.264 4.113 4.350 0.044 0.000 0.199 333 E C 2.136 178.686 176.600 -0.084 0.000 1.011 333 E CA 2.026 58.391 56.400 -0.058 0.000 0.815 333 E CB -0.355 29.327 29.700 -0.029 0.000 0.755 333 E HN 0.420 nan 8.360 nan 0.000 0.451 334 A N -0.173 122.590 122.820 -0.095 0.000 2.024 334 A HA -0.150 4.196 4.320 0.044 0.000 0.220 334 A C 2.247 179.758 177.584 -0.120 0.000 1.164 334 A CA 1.533 53.517 52.037 -0.089 0.000 0.643 334 A CB -0.648 18.311 19.000 -0.068 0.000 0.806 334 A HN 0.338 nan 8.150 nan 0.000 0.451 335 L N -0.901 120.194 121.223 -0.214 0.000 2.072 335 L HA -0.063 4.304 4.340 0.044 0.000 0.205 335 L C 3.024 179.819 176.870 -0.125 0.000 1.079 335 L CA 1.300 56.012 54.840 -0.214 0.000 0.752 335 L CB -0.522 41.318 42.059 -0.364 0.000 0.906 335 L HN 0.365 nan 8.230 nan 0.000 0.436 336 A N -0.063 122.692 122.820 -0.109 0.000 1.917 336 A HA -0.285 4.062 4.320 0.044 0.000 0.219 336 A C 2.411 179.988 177.584 -0.011 0.000 1.182 336 A CA 2.120 54.122 52.037 -0.059 0.000 0.633 336 A CB -0.548 18.419 19.000 -0.055 0.000 0.819 336 A HN 0.338 nan 8.150 nan 0.000 0.448 337 R N -0.951 119.534 120.500 -0.026 0.000 2.092 337 R HA 0.074 4.440 4.340 0.044 0.000 0.231 337 R C 2.069 178.384 176.300 0.025 0.000 1.119 337 R CA 0.944 57.039 56.100 -0.010 0.000 0.970 337 R CB -0.328 29.941 30.300 -0.051 0.000 0.864 337 R HN 0.491 nan 8.270 nan 0.000 0.440 338 L N 1.258 122.480 121.223 -0.001 0.000 2.362 338 L HA -0.116 4.250 4.340 0.044 0.000 0.219 338 L C 1.325 178.198 176.870 0.006 0.000 1.134 338 L CA 1.501 56.346 54.840 0.009 0.000 0.807 338 L CB -0.520 41.541 42.059 0.002 0.000 0.927 338 L HN 0.210 nan 8.230 nan 0.000 0.447 339 N N -0.331 118.372 118.700 0.006 0.000 2.083 339 N HA -0.251 4.515 4.740 0.044 0.000 0.190 339 N C 1.836 177.371 175.510 0.041 0.000 1.047 339 N CA 1.710 54.757 53.050 -0.004 0.000 0.845 339 N CB -0.564 37.915 38.487 -0.013 0.000 1.025 339 N HN 0.322 nan 8.380 nan 0.000 0.428 340 Y N 1.728 122.002 120.300 -0.042 0.000 1.967 340 Y HA -0.346 4.231 4.550 0.044 0.000 0.260 340 Y C 2.360 178.242 175.900 -0.029 0.000 1.181 340 Y CA 2.439 60.521 58.100 -0.030 0.000 1.097 340 Y CB -0.252 38.192 38.460 -0.026 0.000 0.934 340 Y HN 0.103 nan 8.280 nan 0.000 0.492 341 R N -0.091 120.594 120.500 0.308 0.000 2.185 341 R HA -0.226 4.141 4.340 0.044 0.000 0.247 341 R C 2.126 178.464 176.300 0.063 0.000 1.159 341 R CA 1.772 57.980 56.100 0.180 0.000 0.988 341 R CB -0.626 29.736 30.300 0.103 0.000 0.871 341 R HN 0.465 nan 8.270 nan 0.000 0.458 342 L N 0.152 121.387 121.223 0.021 0.000 2.446 342 L HA -0.026 4.341 4.340 0.044 0.000 0.219 342 L C 2.147 178.987 176.870 -0.050 0.000 1.116 342 L CA 0.646 55.472 54.840 -0.023 0.000 0.844 342 L CB -0.012 42.019 42.059 -0.046 0.000 0.970 342 L HN 0.107 nan 8.230 nan 0.000 0.457 343 K N -0.432 119.924 120.400 -0.073 0.000 2.044 343 K HA -0.024 4.323 4.320 0.044 0.000 0.204 343 K C 2.039 178.573 176.600 -0.109 0.000 1.045 343 K CA 0.740 56.964 56.287 -0.106 0.000 0.951 343 K CB -0.188 32.218 32.500 -0.156 0.000 0.738 343 K HN 0.019 nan 8.250 nan 0.000 0.443 344 V N 2.382 122.215 119.914 -0.135 0.000 2.219 344 V HA -0.276 3.870 4.120 0.044 0.000 0.248 344 V C 2.374 178.447 176.094 -0.034 0.000 1.053 344 V CA 2.428 64.677 62.300 -0.085 0.000 1.009 344 V CB -0.764 31.044 31.823 -0.024 0.000 0.636 344 V HN 0.486 nan 8.190 nan 0.000 0.445 345 S N 0.817 116.511 115.700 -0.011 0.000 2.626 345 S HA 0.013 4.509 4.470 0.044 0.000 0.245 345 S C 1.393 175.978 174.600 -0.025 0.000 0.973 345 S CA 0.612 58.806 58.200 -0.010 0.000 0.959 345 S CB -1.288 61.912 63.200 -0.000 0.000 0.762 345 S HN 1.459 nan 8.310 nan 0.000 0.539 346 G N 1.094 109.872 108.800 -0.037 0.000 2.357 346 G HA2 -0.244 3.742 3.960 0.044 0.000 0.282 346 G HA3 -0.244 3.742 3.960 0.044 0.000 0.282 346 G C -0.073 174.803 174.900 -0.040 0.000 0.910 346 G CA 0.579 45.654 45.100 -0.042 0.000 1.267 346 G HN 0.824 nan 8.290 nan 0.000 0.476 347 S N -0.718 114.955 115.700 -0.045 0.000 2.586 347 S HA 0.482 4.978 4.470 0.044 0.000 0.274 347 S C 1.727 176.294 174.600 -0.054 0.000 1.281 347 S CA 0.093 58.264 58.200 -0.048 0.000 1.035 347 S CB 0.606 63.775 63.200 -0.052 0.000 0.962 347 S HN 0.628 nan 8.310 nan 0.000 0.512 348 K N 2.439 122.807 120.400 -0.053 0.000 2.366 348 K HA 0.162 4.508 4.320 0.044 0.000 0.198 348 K C 0.372 176.934 176.600 -0.064 0.000 1.044 348 K CA 0.665 56.920 56.287 -0.052 0.000 0.973 348 K CB 0.017 32.488 32.500 -0.048 0.000 0.767 348 K HN 0.291 nan 8.250 nan 0.000 0.475 349 K N 0.926 121.276 120.400 -0.083 0.000 2.132 349 K HA 0.302 4.648 4.320 0.044 0.000 0.241 349 K C -0.676 175.833 176.600 -0.153 0.000 1.000 349 K CA -0.623 55.598 56.287 -0.110 0.000 0.911 349 K CB 1.673 34.101 32.500 -0.120 0.000 1.093 349 K HN -0.135 nan 8.250 nan 0.000 0.460 350 T N 0.357 114.787 114.554 -0.207 0.000 2.921 350 T HA 0.289 4.666 4.350 0.044 0.000 0.297 350 T C -1.067 173.419 174.700 -0.358 0.000 1.013 350 T CA -0.728 61.175 62.100 -0.329 0.000 0.990 350 T CB 1.556 70.107 68.868 -0.528 0.000 1.023 350 T HN 0.134 nan 8.240 nan 0.000 0.447 351 V N 3.632 123.320 119.914 -0.376 0.000 2.334 351 V HA 0.399 4.546 4.120 0.044 0.000 0.281 351 V C -0.182 175.735 176.094 -0.295 0.000 1.016 351 V CA -0.656 61.394 62.300 -0.417 0.000 0.832 351 V CB 1.499 32.945 31.823 -0.628 0.000 0.999 351 V HN 0.777 nan 8.190 nan 0.000 0.439 352 V N 4.671 124.509 119.914 -0.126 0.000 2.383 352 V HA 0.757 4.904 4.120 0.044 0.000 0.275 352 V C 0.442 176.587 176.094 0.084 0.000 1.036 352 V CA -0.386 61.919 62.300 0.008 0.000 0.889 352 V CB 1.436 33.385 31.823 0.210 0.000 0.985 352 V HN 0.920 nan 8.190 nan 0.000 0.459 353 A N 5.462 128.273 122.820 -0.015 0.000 2.319 353 A HA 0.844 5.191 4.320 0.044 0.000 0.310 353 A C -0.931 176.745 177.584 0.153 0.000 1.152 353 A CA -0.407 51.759 52.037 0.216 0.000 0.783 353 A CB 0.486 19.638 19.000 0.253 0.000 1.184 353 A HN 0.615 nan 8.150 nan 0.000 0.474 354 F N 2.010 122.272 119.950 0.520 0.000 2.404 354 F HA 0.486 5.039 4.527 0.044 0.000 0.345 354 F C 0.412 176.463 175.800 0.419 0.000 1.110 354 F CA -0.296 57.975 58.000 0.451 0.000 1.130 354 F CB 1.429 40.710 39.000 0.469 0.000 1.129 354 F HN 0.349 nan 8.300 nan 0.000 0.500 355 I N 4.431 125.316 120.570 0.524 0.000 2.371 355 I HA 0.208 4.404 4.170 0.044 0.000 0.282 355 I C -0.812 175.575 176.117 0.450 0.000 1.031 355 I CA -0.590 60.946 61.300 0.393 0.000 1.180 355 I CB 1.033 39.171 38.000 0.230 0.000 1.336 355 I HN 0.244 nan 8.210 nan 0.000 0.467 356 V N 7.738 127.853 119.914 0.334 0.000 2.267 356 V HA 0.347 4.493 4.120 0.044 0.000 0.254 356 V C 0.234 176.410 176.094 0.135 0.000 1.144 356 V CA 0.155 62.587 62.300 0.219 0.000 0.992 356 V CB 0.010 31.920 31.823 0.144 0.000 1.199 356 V HN 0.669 nan 8.190 nan 0.000 0.493 357 M N 6.440 126.104 119.600 0.107 0.000 2.213 357 M HA 0.430 4.936 4.480 0.044 0.000 0.286 357 M C -2.915 173.326 176.300 -0.099 0.000 1.008 357 M CA -1.679 53.606 55.300 -0.025 0.000 0.937 357 M CB 3.550 36.093 32.600 -0.095 0.000 1.600 357 M HN 0.196 nan 8.290 nan 0.000 0.450 358 P HA 0.352 nan 4.420 nan 0.000 0.276 358 P C -1.294 176.012 177.300 0.011 0.000 1.243 358 P CA -0.123 62.757 63.100 -0.368 0.000 0.768 358 P CB 0.774 32.085 31.700 -0.648 0.000 0.856 359 A N 3.134 125.931 122.820 -0.039 0.000 2.479 359 A HA 0.561 4.908 4.320 0.044 0.000 0.296 359 A C -0.526 177.019 177.584 -0.066 0.000 1.121 359 A CA -0.844 51.247 52.037 0.090 0.000 0.743 359 A CB 1.118 20.287 19.000 0.281 0.000 1.323 359 A HN 0.264 nan 8.150 nan 0.000 0.415 360 K N 1.576 121.954 120.400 -0.037 0.000 2.419 360 K HA 0.109 4.455 4.320 0.044 0.000 0.282 360 K C -0.390 176.161 176.600 -0.080 0.000 1.056 360 K CA 0.522 56.773 56.287 -0.060 0.000 1.035 360 K CB -0.267 32.209 32.500 -0.038 0.000 0.921 360 K HN 0.861 nan 8.250 nan 0.000 0.472 361 N N 0.601 119.229 118.700 -0.120 0.000 2.647 361 N HA 0.254 5.021 4.740 0.044 0.000 0.266 361 N C -0.830 174.623 175.510 -0.094 0.000 1.373 361 N CA -0.911 52.061 53.050 -0.129 0.000 0.807 361 N CB 0.965 39.291 38.487 -0.269 0.000 1.513 361 N HN 0.076 nan 8.380 nan 0.000 0.505 362 N N 0.822 119.487 118.700 -0.058 0.000 2.806 362 N HA 0.201 4.967 4.740 0.044 0.000 0.315 362 N C -0.730 174.753 175.510 -0.045 0.000 1.738 362 N CA 0.124 53.148 53.050 -0.042 0.000 0.993 362 N CB 0.173 38.650 38.487 -0.016 0.000 1.324 362 N HN 0.700 nan 8.380 nan 0.000 0.493 363 S N -0.080 115.566 115.700 -0.090 0.000 3.109 363 S HA -0.272 4.224 4.470 0.044 0.000 0.632 363 S C -0.142 174.327 174.600 -0.218 0.000 2.927 363 S CA 0.428 58.508 58.200 -0.200 0.000 3.233 363 S CB -0.691 62.414 63.200 -0.157 0.000 0.325 363 S HN 0.309 nan 8.310 nan 0.000 1.720 364 F N 1.931 121.840 119.950 -0.069 0.000 2.382 364 F HA 0.406 4.959 4.527 0.043 0.000 0.331 364 F C 1.343 177.085 175.800 -0.096 0.000 1.121 364 F CA 0.298 58.158 58.000 -0.234 0.000 1.183 364 F CB 0.444 39.324 39.000 -0.201 0.000 1.207 364 F HN 0.589 nan 8.300 nan 0.000 0.555 365 T N -0.841 113.785 114.554 0.119 0.000 2.901 365 T HA 0.170 4.546 4.350 0.044 0.000 0.301 365 T C 1.056 175.811 174.700 0.091 0.000 1.012 365 T CA -0.806 61.349 62.100 0.092 0.000 1.135 365 T CB 1.206 70.128 68.868 0.089 0.000 0.936 365 T HN 0.434 nan 8.240 nan 0.000 0.539 366 V N 2.329 122.282 119.914 0.066 0.000 2.324 366 V HA -0.187 3.959 4.120 0.044 0.000 0.250 366 V C 2.761 178.881 176.094 0.044 0.000 1.060 366 V CA 2.535 64.865 62.300 0.050 0.000 1.042 366 V CB -0.818 31.027 31.823 0.036 0.000 0.650 366 V HN 1.119 nan 8.190 nan 0.000 0.450 367 E N -0.180 120.049 120.200 0.048 0.000 2.033 367 E HA -0.272 4.105 4.350 0.044 0.000 0.199 367 E C 2.218 178.856 176.600 0.063 0.000 1.011 367 E CA 1.698 58.126 56.400 0.048 0.000 0.815 367 E CB -0.369 29.352 29.700 0.034 0.000 0.755 367 E HN 0.588 nan 8.360 nan 0.000 0.451 368 A N 0.530 123.402 122.820 0.087 0.000 1.978 368 A HA -0.164 4.182 4.320 0.044 0.000 0.220 368 A C 2.178 179.808 177.584 0.076 0.000 1.170 368 A CA 1.265 53.385 52.037 0.137 0.000 0.636 368 A CB -0.532 18.595 19.000 0.211 0.000 0.810 368 A HN 0.337 nan 8.150 nan 0.000 0.448 369 L N -1.155 120.085 121.223 0.027 0.000 2.162 369 L HA -0.083 4.283 4.340 0.044 0.000 0.205 369 L C 2.549 179.399 176.870 -0.034 0.000 1.086 369 L CA 1.462 56.284 54.840 -0.030 0.000 0.778 369 L CB -0.321 41.726 42.059 -0.020 0.000 0.928 369 L HN 0.446 nan 8.230 nan 0.000 0.446 370 K N 0.478 120.863 120.400 -0.026 0.000 2.032 370 K HA -0.173 4.174 4.320 0.044 0.000 0.209 370 K C 2.014 178.532 176.600 -0.136 0.000 1.048 370 K CA 1.533 57.779 56.287 -0.068 0.000 0.927 370 K CB -0.442 32.026 32.500 -0.054 0.000 0.712 370 K HN 0.290 nan 8.250 nan 0.000 0.441 371 G N 1.309 110.049 108.800 -0.101 0.000 2.719 371 G HA2 -0.350 3.636 3.960 0.044 0.000 0.219 371 G HA3 -0.350 3.636 3.960 0.044 0.000 0.219 371 G C 1.385 176.219 174.900 -0.110 0.000 1.234 371 G CA 1.195 46.224 45.100 -0.118 0.000 0.788 371 G HN 0.397 nan 8.290 nan 0.000 0.619 372 Q N 0.489 120.269 119.800 -0.034 0.000 2.124 372 Q HA -0.027 4.340 4.340 0.044 0.000 0.202 372 Q C 2.965 178.931 176.000 -0.058 0.000 0.977 372 Q CA 1.478 57.264 55.803 -0.029 0.000 0.850 372 Q CB -0.865 27.870 28.738 -0.005 0.000 0.901 372 Q HN 0.501 nan 8.270 nan 0.000 0.429 373 A N 1.809 124.586 122.820 -0.072 0.000 1.865 373 A HA -0.201 4.145 4.320 0.044 0.000 0.217 373 A C 2.060 179.597 177.584 -0.078 0.000 1.191 373 A CA 1.478 53.474 52.037 -0.068 0.000 0.623 373 A CB -0.306 18.656 19.000 -0.063 0.000 0.826 373 A HN 0.249 nan 8.150 nan 0.000 0.444 374 E N -0.245 119.883 120.200 -0.120 0.000 2.072 374 E HA -0.097 4.280 4.350 0.044 0.000 0.191 374 E C 2.130 178.673 176.600 -0.095 0.000 0.985 374 E CA 1.217 57.544 56.400 -0.122 0.000 0.801 374 E CB -0.589 28.993 29.700 -0.197 0.000 0.750 374 E HN 0.375 nan 8.360 nan 0.000 0.452 375 V N 1.158 121.010 119.914 -0.102 0.000 2.626 375 V HA -0.210 3.937 4.120 0.044 0.000 0.252 375 V C 2.411 178.483 176.094 -0.037 0.000 1.067 375 V CA 1.490 63.754 62.300 -0.060 0.000 1.081 375 V CB -0.396 31.394 31.823 -0.054 0.000 0.686 375 V HN 0.069 nan 8.190 nan 0.000 0.468 376 R N 0.119 120.595 120.500 -0.040 0.000 2.093 376 R HA 0.065 4.431 4.340 0.044 0.000 0.224 376 R C 2.263 178.550 176.300 -0.022 0.000 1.101 376 R CA 1.333 57.416 56.100 -0.028 0.000 0.979 376 R CB -0.605 29.677 30.300 -0.030 0.000 0.877 376 R HN 0.474 nan 8.270 nan 0.000 0.441 377 A N 0.553 123.357 122.820 -0.027 0.000 1.972 377 A HA -0.122 4.224 4.320 0.044 0.000 0.219 377 A C 2.058 179.638 177.584 -0.007 0.000 1.169 377 A CA 0.976 53.002 52.037 -0.018 0.000 0.635 377 A CB -0.583 18.402 19.000 -0.025 0.000 0.810 377 A HN 0.360 nan 8.150 nan 0.000 0.446 378 L N -0.509 120.707 121.223 -0.011 0.000 1.994 378 L HA -0.229 4.138 4.340 0.044 0.000 0.208 378 L C 2.573 179.453 176.870 0.017 0.000 1.071 378 L CA 2.186 57.027 54.840 0.002 0.000 0.745 378 L CB -0.519 41.541 42.059 0.000 0.000 0.892 378 L HN 0.519 nan 8.230 nan 0.000 0.431 379 E N -0.209 119.999 120.200 0.013 0.000 2.070 379 E HA -0.269 4.108 4.350 0.044 0.000 0.197 379 E C 1.841 178.468 176.600 0.046 0.000 1.004 379 E CA 1.724 58.139 56.400 0.025 0.000 0.805 379 E CB -0.092 29.612 29.700 0.006 0.000 0.744 379 E HN 0.538 nan 8.360 nan 0.000 0.451 380 N N 0.143 118.859 118.700 0.028 0.000 2.013 380 N HA -0.146 4.620 4.740 0.044 0.000 0.195 380 N C 1.962 177.524 175.510 0.086 0.000 1.051 380 N CA 1.768 54.849 53.050 0.051 0.000 0.851 380 N CB -1.061 37.439 38.487 0.022 0.000 1.044 380 N HN 0.075 nan 8.380 nan 0.000 0.422 381 T N 1.541 116.125 114.554 0.049 0.000 2.653 381 T HA -0.114 4.263 4.350 0.044 0.000 0.268 381 T C 2.129 176.856 174.700 0.045 0.000 1.035 381 T CA 1.193 63.317 62.100 0.040 0.000 1.154 381 T CB -0.499 68.382 68.868 0.021 0.000 0.862 381 T HN -0.021 nan 8.240 nan 0.000 0.441 382 V N 0.732 120.677 119.914 0.051 0.000 2.255 382 V HA -0.257 3.890 4.120 0.044 0.000 0.247 382 V C 2.202 178.332 176.094 0.059 0.000 1.051 382 V CA 2.448 64.777 62.300 0.048 0.000 1.018 382 V CB -0.701 31.153 31.823 0.051 0.000 0.641 382 V HN 0.612 nan 8.190 nan 0.000 0.445 383 H N 0.433 119.504 119.070 0.003 0.000 2.265 383 H HA -0.226 4.356 4.556 0.044 0.000 0.295 383 H C 2.285 177.613 175.328 0.000 0.000 1.084 383 H CA 2.546 58.595 56.048 0.002 0.000 1.261 383 H CB -0.177 29.585 29.762 0.000 0.000 1.360 383 H HN 0.537 nan 8.280 nan 0.000 0.487 384 E N -0.510 119.701 120.200 0.018 0.000 2.086 384 E HA -0.208 4.168 4.350 0.044 0.000 0.200 384 E C 2.461 179.011 176.600 -0.084 0.000 1.012 384 E CA 1.660 58.037 56.400 -0.038 0.000 0.812 384 E CB -0.173 29.545 29.700 0.030 0.000 0.743 384 E HN 0.303 nan 8.360 nan 0.000 0.453 385 V N 1.299 121.186 119.914 -0.045 0.000 2.261 385 V HA -0.298 3.848 4.120 0.044 0.000 0.246 385 V C 2.741 178.798 176.094 -0.062 0.000 1.047 385 V CA 2.302 64.579 62.300 -0.039 0.000 1.015 385 V CB -1.037 30.777 31.823 -0.015 0.000 0.642 385 V HN 0.557 nan 8.190 nan 0.000 0.446 386 T N -1.273 113.231 114.554 -0.083 0.000 2.746 386 T HA -0.238 4.138 4.350 0.044 0.000 0.267 386 T C 1.887 176.515 174.700 -0.120 0.000 1.039 386 T CA 2.126 64.175 62.100 -0.085 0.000 1.142 386 T CB -0.984 67.842 68.868 -0.070 0.000 0.866 386 T HN 0.635 nan 8.240 nan 0.000 0.444 387 T N -0.563 113.860 114.554 -0.217 0.000 2.962 387 T HA 0.019 4.395 4.350 0.044 0.000 0.270 387 T C 2.254 176.891 174.700 -0.105 0.000 1.088 387 T CA 1.232 63.214 62.100 -0.197 0.000 1.127 387 T CB -0.774 67.913 68.868 -0.302 0.000 0.883 387 T HN 0.337 nan 8.240 nan 0.000 0.493 388 S N 1.119 116.769 115.700 -0.083 0.000 2.355 388 S HA 0.101 4.597 4.470 0.044 0.000 0.222 388 S C 1.896 176.484 174.600 -0.020 0.000 1.031 388 S CA 1.118 59.293 58.200 -0.041 0.000 0.993 388 S CB -0.461 62.721 63.200 -0.031 0.000 0.859 388 S HN 0.543 nan 8.310 nan 0.000 0.453 389 I N 1.316 121.872 120.570 -0.024 0.000 2.163 389 I HA -0.203 3.994 4.170 0.044 0.000 0.243 389 I C 2.660 178.784 176.117 0.012 0.000 1.085 389 I CA 1.200 62.496 61.300 -0.006 0.000 1.347 389 I CB -1.082 36.911 38.000 -0.011 0.000 1.044 389 I HN 0.375 nan 8.210 nan 0.000 0.408 390 G N 1.089 109.887 108.800 -0.004 0.000 2.586 390 G HA2 -0.301 3.685 3.960 0.044 0.000 0.218 390 G HA3 -0.301 3.685 3.960 0.044 0.000 0.218 390 G C 1.714 176.647 174.900 0.055 0.000 1.216 390 G CA 0.964 46.073 45.100 0.015 0.000 0.786 390 G HN 0.308 nan 8.290 nan 0.000 0.583 391 K N -0.013 120.400 120.400 0.021 0.000 2.032 391 K HA -0.080 4.266 4.320 0.044 0.000 0.209 391 K C 2.785 179.461 176.600 0.127 0.000 1.048 391 K CA 1.105 57.423 56.287 0.053 0.000 0.927 391 K CB -0.220 32.287 32.500 0.012 0.000 0.712 391 K HN 0.209 nan 8.250 nan 0.000 0.441 392 R N 0.603 121.153 120.500 0.084 0.000 2.073 392 R HA -0.085 4.282 4.340 0.044 0.000 0.234 392 R C 2.425 178.800 176.300 0.124 0.000 1.134 392 R CA 1.317 57.470 56.100 0.088 0.000 0.952 392 R CB -0.388 29.938 30.300 0.042 0.000 0.850 392 R HN 0.212 nan 8.270 nan 0.000 0.433 393 I N -0.067 120.573 120.570 0.117 0.000 2.179 393 I HA -0.308 3.888 4.170 0.044 0.000 0.242 393 I C 2.269 178.502 176.117 0.194 0.000 1.088 393 I CA 1.359 62.739 61.300 0.133 0.000 1.357 393 I CB -0.305 37.756 38.000 0.102 0.000 1.051 393 I HN 0.103 nan 8.210 nan 0.000 0.409 394 F N 1.787 121.769 119.950 0.054 0.000 2.051 394 F HA -0.309 4.244 4.527 0.044 0.000 0.296 394 F C 2.409 178.243 175.800 0.057 0.000 1.122 394 F CA 2.021 60.048 58.000 0.044 0.000 1.201 394 F CB -0.405 38.610 39.000 0.024 0.000 0.978 394 F HN 0.093 nan 8.300 nan 0.000 0.472 395 D N -0.676 119.936 120.400 0.353 0.000 2.190 395 D HA -0.297 4.370 4.640 0.044 0.000 0.200 395 D C 2.180 178.526 176.300 0.076 0.000 0.992 395 D CA 1.554 55.676 54.000 0.202 0.000 0.854 395 D CB -0.523 40.406 40.800 0.215 0.000 0.936 395 D HN 0.586 nan 8.370 nan 0.000 0.462 396 H N 0.142 119.220 119.070 0.014 0.000 2.299 396 H HA -0.063 4.519 4.556 0.044 0.000 0.302 396 H C 1.862 177.186 175.328 -0.006 0.000 1.078 396 H CA 1.689 57.748 56.048 0.018 0.000 1.323 396 H CB 0.112 29.894 29.762 0.034 0.000 1.381 396 H HN 0.141 nan 8.280 nan 0.000 0.498 397 A N 1.124 123.827 122.820 -0.194 0.000 1.898 397 A HA -0.123 4.224 4.320 0.044 0.000 0.216 397 A C 2.404 179.806 177.584 -0.304 0.000 1.181 397 A CA 1.336 53.189 52.037 -0.307 0.000 0.620 397 A CB -0.697 18.149 19.000 -0.256 0.000 0.819 397 A HN 0.443 nan 8.150 nan 0.000 0.442 398 I N -0.954 119.364 120.570 -0.420 0.000 2.614 398 I HA -0.084 4.112 4.170 0.044 0.000 0.258 398 I C 2.142 178.163 176.117 -0.160 0.000 1.189 398 I CA 1.190 62.271 61.300 -0.366 0.000 1.462 398 I CB -0.254 37.444 38.000 -0.504 0.000 1.092 398 I HN 0.180 nan 8.210 nan 0.000 0.442 399 R N -1.255 119.171 120.500 -0.123 0.000 2.246 399 R HA 0.010 4.376 4.340 0.044 0.000 0.199 399 R C 0.169 176.431 176.300 -0.063 0.000 0.984 399 R CA -0.011 56.048 56.100 -0.068 0.000 1.015 399 R CB -0.333 29.941 30.300 -0.043 0.000 0.930 399 R HN 0.272 nan 8.270 nan 0.000 0.475 400 Y N 1.970 122.136 120.300 -0.223 0.000 2.802 400 Y HA 0.017 4.593 4.550 0.044 0.000 0.333 400 Y C -1.620 174.204 175.900 -0.127 0.000 1.244 400 Y CA -1.849 56.126 58.100 -0.207 0.000 1.558 400 Y CB 0.192 38.498 38.460 -0.256 0.000 1.233 400 Y HN 0.125 nan 8.280 nan 0.000 0.547 416 L N 3.864 125.075 121.223 -0.019 0.000 2.554 416 L HA 0.330 4.697 4.340 0.044 0.000 0.225 416 L C 0.349 177.211 176.870 -0.013 0.000 1.104 416 L CA 0.224 55.052 54.840 -0.020 0.000 0.866 416 L CB 0.419 42.467 42.059 -0.019 0.000 1.047 416 L HN 0.498 nan 8.230 nan 0.000 0.468 417 L N 2.254 123.470 121.223 -0.011 0.000 2.295 417 L HA 0.156 4.523 4.340 0.044 0.000 0.288 417 L C 0.369 177.235 176.870 -0.007 0.000 1.079 417 L CA -0.242 54.593 54.840 -0.008 0.000 0.830 417 L CB 0.675 42.730 42.059 -0.006 0.000 1.200 417 L HN 0.164 nan 8.230 nan 0.000 0.438 418 K N 1.120 121.517 120.400 -0.006 0.000 2.187 418 K HA 0.149 4.496 4.320 0.044 0.000 0.247 418 K C 1.164 177.762 176.600 -0.003 0.000 1.019 418 K CA -0.112 56.172 56.287 -0.005 0.000 0.893 418 K CB 0.410 32.908 32.500 -0.003 0.000 1.025 418 K HN 0.530 nan 8.250 nan 0.000 0.500 419 S N 0.470 116.169 115.700 -0.003 0.000 2.359 419 S HA -0.308 4.188 4.470 0.044 0.000 0.223 419 S C 2.225 176.825 174.600 -0.001 0.000 1.039 419 S CA 1.673 59.872 58.200 -0.002 0.000 1.042 419 S CB -0.878 62.322 63.200 -0.001 0.000 0.915 419 S HN 0.783 nan 8.310 nan 0.000 0.439 420 S N 2.326 118.025 115.700 -0.001 0.000 2.390 420 S HA -0.304 4.192 4.470 0.044 0.000 0.234 420 S C 1.613 176.212 174.600 -0.001 0.000 1.063 420 S CA 2.091 60.291 58.200 -0.000 0.000 1.108 420 S CB -0.992 62.208 63.200 -0.000 0.000 0.975 420 S HN 0.603 nan 8.310 nan 0.000 0.442 421 D N 0.468 120.867 120.400 -0.002 0.000 2.137 421 D HA 0.009 4.675 4.640 0.044 0.000 0.202 421 D C 2.140 178.440 176.300 -0.000 0.000 0.970 421 D CA 0.839 54.838 54.000 -0.002 0.000 0.837 421 D CB -0.322 40.475 40.800 -0.004 0.000 0.981 421 D HN 0.506 nan 8.370 nan 0.000 0.475 422 K N 0.675 121.075 120.400 -0.001 0.000 2.074 422 K HA -0.120 4.226 4.320 0.044 0.000 0.209 422 K C 2.182 178.783 176.600 0.001 0.000 1.048 422 K CA 0.694 56.981 56.287 0.000 0.000 0.926 422 K CB -0.150 32.349 32.500 -0.001 0.000 0.713 422 K HN -0.032 nan 8.250 nan 0.000 0.444 423 V N 2.323 122.237 119.914 0.001 0.000 2.220 423 V HA -0.310 3.836 4.120 0.044 0.000 0.246 423 V C 2.344 178.438 176.094 0.001 0.000 1.049 423 V CA 2.300 64.601 62.300 0.001 0.000 1.003 423 V CB -0.468 31.355 31.823 0.001 0.000 0.634 423 V HN 0.474 nan 8.190 nan 0.000 0.444 424 M N -1.405 118.196 119.600 0.001 0.000 2.460 424 M HA -0.086 4.421 4.480 0.044 0.000 0.263 424 M C 2.042 178.344 176.300 0.003 0.000 1.071 424 M CA 1.856 57.157 55.300 0.002 0.000 1.096 424 M CB -0.594 32.008 32.600 0.003 0.000 1.408 424 M HN 0.196 nan 8.290 nan 0.000 0.463 425 L N 0.573 121.799 121.223 0.004 0.000 2.072 425 L HA -0.081 4.285 4.340 0.044 0.000 0.205 425 L C 2.777 179.650 176.870 0.005 0.000 1.079 425 L CA 1.380 56.223 54.840 0.005 0.000 0.752 425 L CB -0.350 41.713 42.059 0.005 0.000 0.906 425 L HN 0.386 nan 8.230 nan 0.000 0.436 426 K N -0.109 120.294 120.400 0.004 0.000 2.097 426 K HA -0.220 4.126 4.320 0.044 0.000 0.205 426 K C 2.244 178.846 176.600 0.003 0.000 1.050 426 K CA 1.115 57.404 56.287 0.004 0.000 0.938 426 K CB 0.050 32.552 32.500 0.003 0.000 0.718 426 K HN 0.104 nan 8.250 nan 0.000 0.442 427 R N 0.431 120.931 120.500 0.001 0.000 2.092 427 R HA -0.054 4.313 4.340 0.044 0.000 0.231 427 R C 1.923 178.221 176.300 -0.003 0.000 1.119 427 R CA 1.118 57.217 56.100 -0.001 0.000 0.970 427 R CB 0.109 30.408 30.300 -0.002 0.000 0.864 427 R HN 0.033 nan 8.270 nan 0.000 0.440 428 R N 0.222 120.721 120.500 -0.002 0.000 2.193 428 R HA 0.016 4.382 4.340 0.044 0.000 0.213 428 R C 2.119 178.416 176.300 -0.004 0.000 1.055 428 R CA 0.840 56.936 56.100 -0.007 0.000 0.995 428 R CB -0.114 30.185 30.300 -0.003 0.000 0.893 428 R HN 0.385 nan 8.270 nan 0.000 0.459 429 I N 0.526 121.099 120.570 0.004 0.000 2.406 429 I HA -0.171 4.025 4.170 0.044 0.000 0.249 429 I C 2.166 178.292 176.117 0.014 0.000 1.122 429 I CA 0.825 62.133 61.300 0.012 0.000 1.431 429 I CB -0.152 37.857 38.000 0.015 0.000 1.087 429 I HN 0.047 nan 8.210 nan 0.000 0.424 430 L N 0.734 121.962 121.223 0.008 0.000 2.217 430 L HA -0.093 4.273 4.340 0.044 0.000 0.211 430 L C 2.619 179.493 176.870 0.007 0.000 1.107 430 L CA 0.798 55.643 54.840 0.010 0.000 0.783 430 L CB -0.434 41.628 42.059 0.006 0.000 0.919 430 L HN 0.210 nan 8.230 nan 0.000 0.442 431 A N -0.456 122.360 122.820 -0.007 0.000 2.209 431 A HA -0.010 4.336 4.320 0.044 0.000 0.212 431 A C 2.068 179.630 177.584 -0.037 0.000 1.158 431 A CA 0.713 52.735 52.037 -0.025 0.000 0.742 431 A CB -0.324 18.651 19.000 -0.042 0.000 0.790 431 A HN 0.399 nan 8.150 nan 0.000 0.472 432 L N -1.147 120.076 121.223 0.001 0.000 2.375 432 L HA 0.088 4.455 4.340 0.044 0.000 0.215 432 L C 1.442 178.412 176.870 0.167 0.000 1.108 432 L CA -0.147 54.731 54.840 0.062 0.000 0.830 432 L CB -0.274 41.834 42.059 0.081 0.000 0.959 432 L HN 0.356 nan 8.230 nan 0.000 0.457 433 R N 2.566 123.120 120.500 0.089 0.000 2.523 433 R HA -0.041 4.326 4.340 0.044 0.000 0.281 433 R C -0.035 176.323 176.300 0.097 0.000 0.969 433 R CA 0.209 56.355 56.100 0.077 0.000 1.093 433 R CB 0.364 30.690 30.300 0.042 0.000 0.917 433 R HN 0.255 nan 8.270 nan 0.000 0.408 434 R N 4.666 125.209 120.500 0.072 0.000 2.514 434 R HA 0.447 4.814 4.340 0.044 0.000 0.301 434 R C -2.521 173.787 176.300 0.014 0.000 0.962 434 R CA -2.198 53.932 56.100 0.049 0.000 0.882 434 R CB 0.912 31.200 30.300 -0.020 0.000 1.143 434 R HN 0.391 nan 8.270 nan 0.000 0.452 435 P HA -0.181 nan 4.420 nan 0.000 0.255 435 P C -0.604 176.693 177.300 -0.006 0.000 1.132 435 P CA 0.688 63.790 63.100 0.003 0.000 0.766 435 P CB 0.270 31.970 31.700 -0.000 0.000 0.715 436 E N 2.084 122.282 120.200 -0.003 0.000 2.708 436 E HA 0.042 4.418 4.350 0.044 0.000 0.260 436 E C 1.516 178.109 176.600 -0.012 0.000 0.937 436 E CA 1.413 57.810 56.400 -0.005 0.000 0.953 436 E CB -0.258 29.440 29.700 -0.003 0.000 0.915 436 E HN 0.764 nan 8.360 nan 0.000 0.487 437 G N 3.095 111.888 108.800 -0.013 0.000 2.189 437 G HA2 -0.405 3.581 3.960 0.044 0.000 0.267 437 G HA3 -0.405 3.581 3.960 0.044 0.000 0.267 437 G C 0.230 175.112 174.900 -0.030 0.000 0.975 437 G CA 0.709 45.799 45.100 -0.018 0.000 0.644 437 G HN 0.611 nan 8.290 nan 0.000 0.537 438 Q N 0.559 120.338 119.800 -0.034 0.000 2.293 438 Q HA 0.588 4.954 4.340 0.044 0.000 0.263 438 Q C 0.407 176.370 176.000 -0.063 0.000 1.002 438 Q CA -0.565 55.208 55.803 -0.049 0.000 0.910 438 Q CB 0.322 29.032 28.738 -0.047 0.000 1.185 438 Q HN 0.480 nan 8.270 nan 0.000 0.401 439 L N 5.345 126.531 121.223 -0.062 0.000 2.416 439 L HA 0.491 4.858 4.340 0.044 0.000 0.262 439 L C -1.990 174.797 176.870 -0.138 0.000 1.093 439 L CA -2.601 52.203 54.840 -0.060 0.000 0.801 439 L CB 0.718 42.777 42.059 -0.000 0.000 1.191 439 L HN 0.634 nan 8.230 nan 0.000 0.459 440 P HA 0.085 nan 4.420 nan 0.000 0.263 440 P C -2.431 174.727 177.300 -0.236 0.000 1.195 440 P CA -0.663 62.167 63.100 -0.450 0.000 0.762 440 P CB -0.069 31.167 31.700 -0.773 0.000 0.799 441 P HA 0.019 nan 4.420 nan 0.000 0.269 441 P C 0.815 178.233 177.300 0.197 0.000 1.217 441 P CA 0.211 63.339 63.100 0.047 0.000 0.783 441 P CB 0.241 31.996 31.700 0.091 0.000 0.898 442 I N -1.527 119.178 120.570 0.226 0.000 3.883 442 I HA 0.287 4.483 4.170 0.044 0.000 0.326 442 I C 0.207 176.503 176.117 0.299 0.000 1.283 442 I CA 0.203 61.654 61.300 0.252 0.000 1.161 442 I CB 0.323 38.465 38.000 0.236 0.000 1.012 442 I HN -0.035 nan 8.210 nan 0.000 0.421 443 V N 1.316 121.397 119.914 0.279 0.000 2.841 443 V HA 0.291 4.438 4.120 0.044 0.000 0.310 443 V C 1.102 177.333 176.094 0.227 0.000 1.090 443 V CA 0.128 62.576 62.300 0.246 0.000 0.930 443 V CB 2.378 34.333 31.823 0.219 0.000 1.014 443 V HN 0.395 nan 8.190 nan 0.000 0.425 444 T N 1.299 115.973 114.554 0.200 0.000 3.065 444 T HA 0.284 4.660 4.350 0.044 0.000 0.252 444 T C 0.457 175.164 174.700 0.012 0.000 1.099 444 T CA 0.639 62.859 62.100 0.201 0.000 1.063 444 T CB -0.252 68.790 68.868 0.291 0.000 0.948 444 T HN 0.708 nan 8.240 nan 0.000 0.506 445 H N 0.514 119.583 119.070 -0.001 0.000 2.797 445 H HA 0.541 5.123 4.556 0.044 0.000 0.362 445 H C -0.451 174.850 175.328 -0.045 0.000 1.183 445 H CA -1.076 54.925 56.048 -0.079 0.000 1.197 445 H CB 0.842 30.437 29.762 -0.277 0.000 1.835 445 H HN -0.029 nan 8.280 nan 0.000 0.567 446 N N 2.049 120.798 118.700 0.082 0.000 2.402 446 N HA 0.047 4.814 4.740 0.044 0.000 0.259 446 N C -0.621 174.904 175.510 0.026 0.000 1.167 446 N CA -0.085 52.993 53.050 0.046 0.000 0.949 446 N CB 0.303 38.807 38.487 0.028 0.000 1.212 446 N HN 0.346 nan 8.380 nan 0.000 0.493 447 M N 1.704 121.326 119.600 0.037 0.000 2.188 447 M HA 0.090 4.596 4.480 0.044 0.000 0.354 447 M C 0.394 176.710 176.300 0.026 0.000 1.342 447 M CA -0.357 54.962 55.300 0.031 0.000 1.117 447 M CB 0.534 33.179 32.600 0.076 0.000 1.670 447 M HN 0.050 nan 8.290 nan 0.000 0.466 448 V N 3.739 123.659 119.914 0.010 0.000 2.135 448 V HA 0.143 4.289 4.120 0.044 0.000 0.287 448 V C 0.129 176.232 176.094 0.014 0.000 1.607 448 V CA 0.279 62.583 62.300 0.007 0.000 1.585 448 V CB -1.275 30.543 31.823 -0.010 0.000 1.470 448 V HN 0.965 nan 8.190 nan 0.000 0.513 449 D N 0.321 120.737 120.400 0.028 0.000 4.346 449 D HA -0.118 4.548 4.640 0.044 0.000 0.101 449 D C 0.865 177.195 176.300 0.050 0.000 0.504 449 D CA 0.015 54.033 54.000 0.030 0.000 0.899 449 D CB -0.924 39.888 40.800 0.020 0.000 1.532 449 D HN 0.333 nan 8.370 nan 0.000 0.355 450 D N -0.135 120.298 120.400 0.056 0.000 2.271 450 D HA -0.134 4.533 4.640 0.044 0.000 0.207 450 D C 1.595 177.939 176.300 0.073 0.000 0.983 450 D CA 1.299 55.345 54.000 0.077 0.000 0.878 450 D CB 0.392 41.235 40.800 0.072 0.000 0.920 450 D HN 0.465 nan 8.370 nan 0.000 0.479 451 A N 0.075 122.926 122.820 0.052 0.000 2.044 451 A HA -0.007 4.340 4.320 0.044 0.000 0.213 451 A C 1.769 179.372 177.584 0.033 0.000 1.169 451 A CA 0.426 52.489 52.037 0.043 0.000 0.724 451 A CB 0.193 19.213 19.000 0.033 0.000 0.840 451 A HN 0.083 nan 8.150 nan 0.000 0.463 452 N N 0.049 118.764 118.700 0.026 0.000 2.250 452 N HA 0.067 4.833 4.740 0.044 0.000 0.190 452 N C -0.322 175.186 175.510 -0.003 0.000 1.116 452 N CA 0.054 53.107 53.050 0.006 0.000 0.881 452 N CB -0.059 38.427 38.487 -0.002 0.000 1.006 452 N HN 0.571 nan 8.380 nan 0.000 0.491 453 D N 0.498 120.919 120.400 0.035 0.000 2.450 453 D HA 0.006 4.673 4.640 0.044 0.000 0.247 453 D C 1.426 177.734 176.300 0.014 0.000 1.162 453 D CA 0.037 54.078 54.000 0.069 0.000 0.879 453 D CB 0.790 41.695 40.800 0.175 0.000 1.163 453 D HN -0.012 nan 8.370 nan 0.000 0.472 454 L N 4.163 125.357 121.223 -0.048 0.000 2.046 454 L HA -0.169 4.197 4.340 0.044 0.000 0.208 454 L C 2.064 178.775 176.870 -0.266 0.000 1.077 454 L CA 0.576 55.219 54.840 -0.327 0.000 0.747 454 L CB -0.433 41.239 42.059 -0.644 0.000 0.896 454 L HN 0.680 nan 8.230 nan 0.000 0.432 455 I N -0.228 120.308 120.570 -0.056 0.000 2.202 455 I HA -0.256 3.940 4.170 0.044 0.000 0.242 455 I C 2.537 178.587 176.117 -0.111 0.000 1.091 455 I CA 1.505 62.718 61.300 -0.145 0.000 1.368 455 I CB -0.609 37.004 38.000 -0.645 0.000 1.058 455 I HN 0.267 nan 8.210 nan 0.000 0.410 456 L N 0.756 121.978 121.223 -0.002 0.000 2.017 456 L HA -0.228 4.138 4.340 0.044 0.000 0.208 456 L C 2.336 179.238 176.870 0.053 0.000 1.073 456 L CA 1.369 56.261 54.840 0.087 0.000 0.745 456 L CB -0.659 41.507 42.059 0.179 0.000 0.894 456 L HN 0.295 nan 8.230 nan 0.000 0.432 457 N N -0.400 118.316 118.700 0.027 0.000 2.244 457 N HA -0.165 4.601 4.740 0.044 0.000 0.183 457 N C 1.809 177.325 175.510 0.011 0.000 1.016 457 N CA 0.881 53.943 53.050 0.021 0.000 0.866 457 N CB -0.130 38.352 38.487 -0.007 0.000 0.980 457 N HN 0.181 nan 8.380 nan 0.000 0.430 458 K N 1.623 122.026 120.400 0.004 0.000 2.103 458 K HA 0.019 4.365 4.320 0.044 0.000 0.204 458 K C 1.877 178.474 176.600 -0.005 0.000 1.052 458 K CA 0.390 56.702 56.287 0.042 0.000 0.945 458 K CB -0.124 32.471 32.500 0.158 0.000 0.722 458 K HN 0.356 nan 8.250 nan 0.000 0.443 459 I N -2.056 118.496 120.570 -0.030 0.000 3.291 459 I HA -0.096 4.101 4.170 0.044 0.000 0.279 459 I C 1.648 177.634 176.117 -0.218 0.000 1.294 459 I CA 0.604 61.843 61.300 -0.103 0.000 1.428 459 I CB 0.020 37.975 38.000 -0.074 0.000 1.070 459 I HN -0.044 nan 8.210 nan 0.000 0.478 460 R N 0.666 121.105 120.500 -0.102 0.000 2.064 460 R HA -0.035 4.331 4.340 0.044 0.000 0.221 460 R C 2.403 178.678 176.300 -0.042 0.000 1.136 460 R CA 1.017 57.080 56.100 -0.061 0.000 0.980 460 R CB -0.567 29.824 30.300 0.152 0.000 0.876 460 R HN 0.379 nan 8.270 nan 0.000 0.437 461 Q N 1.160 120.961 119.800 0.001 0.000 2.197 461 Q HA -0.171 4.195 4.340 0.044 0.000 0.211 461 Q C 1.745 177.736 176.000 -0.015 0.000 0.993 461 Q CA 2.347 58.159 55.803 0.014 0.000 0.883 461 Q CB 0.043 28.795 28.738 0.023 0.000 0.916 461 Q HN 0.369 nan 8.270 nan 0.000 0.418 462 V N -2.649 117.223 119.914 -0.070 0.000 3.608 462 V HA 0.078 4.224 4.120 0.044 0.000 0.269 462 V C 0.537 176.544 176.094 -0.145 0.000 1.245 462 V CA 0.773 63.024 62.300 -0.082 0.000 1.138 462 V CB -0.231 31.544 31.823 -0.079 0.000 0.841 462 V HN 0.410 nan 8.190 nan 0.000 0.451 463 Q N -0.009 119.615 119.800 -0.293 0.000 2.475 463 Q HA -0.186 4.181 4.340 0.044 0.000 0.280 463 Q C -0.170 175.530 176.000 -0.501 0.000 1.234 463 Q CA 0.716 56.246 55.803 -0.456 0.000 0.873 463 Q CB -1.859 26.904 28.738 0.041 0.000 1.256 463 Q HN 0.678 nan 8.270 nan 0.000 0.475 464 L N 0.825 121.715 121.223 -0.556 0.000 2.385 464 L HA 0.178 4.544 4.340 0.044 0.000 0.285 464 L C 0.475 177.125 176.870 -0.366 0.000 1.125 464 L CA 0.047 54.697 54.840 -0.315 0.000 0.890 464 L CB -0.012 41.929 42.059 -0.196 0.000 1.251 464 L HN 0.154 nan 8.230 nan 0.000 0.445 465 F N 1.181 121.160 119.950 0.048 0.000 2.688 465 F HA 0.219 4.773 4.527 0.045 0.000 0.310 465 F C 0.890 176.725 175.800 0.059 0.000 1.098 465 F CA -0.515 57.516 58.000 0.051 0.000 1.228 465 F CB 0.050 39.074 39.000 0.039 0.000 1.042 465 F HN 0.481 nan 8.300 nan 0.000 0.557 466 N N -0.116 118.712 118.700 0.213 0.000 2.882 466 N HA -0.171 4.596 4.740 0.044 0.000 0.249 466 N C 0.079 175.719 175.510 0.217 0.000 1.079 466 N CA 0.926 54.110 53.050 0.223 0.000 0.800 466 N CB -1.708 36.902 38.487 0.206 0.000 1.124 466 N HN 0.321 nan 8.380 nan 0.000 0.557 467 S N -0.784 115.023 115.700 0.178 0.000 2.576 467 S HA 0.425 4.921 4.470 0.044 0.000 0.276 467 S C -1.314 173.366 174.600 0.133 0.000 1.339 467 S CA -0.957 57.327 58.200 0.140 0.000 1.039 467 S CB 1.736 65.003 63.200 0.112 0.000 0.902 467 S HN -0.129 nan 8.310 nan 0.000 0.516 468 P HA -0.070 nan 4.420 nan 0.000 0.219 468 P C 1.368 178.712 177.300 0.073 0.000 1.146 468 P CA 1.150 64.326 63.100 0.128 0.000 0.808 468 P CB -0.178 31.586 31.700 0.107 0.000 0.779 469 S N -0.986 114.744 115.700 0.050 0.000 2.359 469 S HA -0.124 4.372 4.470 0.044 0.000 0.224 469 S C 0.797 175.397 174.600 0.000 0.000 1.035 469 S CA 1.021 59.231 58.200 0.018 0.000 1.018 469 S CB -1.254 61.955 63.200 0.015 0.000 0.876 469 S HN 0.210 nan 8.310 nan 0.000 0.448 470 D N 1.180 121.590 120.400 0.016 0.000 2.487 470 D HA 0.136 4.802 4.640 0.044 0.000 0.243 470 D C 0.859 177.127 176.300 -0.052 0.000 1.154 470 D CA 0.268 54.264 54.000 -0.007 0.000 0.876 470 D CB 0.648 41.464 40.800 0.027 0.000 1.161 470 D HN 0.041 nan 8.370 nan 0.000 0.478 471 R N 1.310 121.760 120.500 -0.084 0.000 2.290 471 R HA 0.076 4.442 4.340 0.044 0.000 0.197 471 R C -0.074 176.113 176.300 -0.189 0.000 0.913 471 R CA 0.112 56.129 56.100 -0.138 0.000 1.040 471 R CB 0.439 30.670 30.300 -0.116 0.000 0.992 471 R HN 0.370 nan 8.270 nan 0.000 0.500 472 V N -0.434 119.390 119.914 -0.150 0.000 2.378 472 V HA 0.564 4.710 4.120 0.044 0.000 0.288 472 V C -0.670 175.358 176.094 -0.109 0.000 1.016 472 V CA -1.198 60.999 62.300 -0.172 0.000 0.840 472 V CB 1.724 33.447 31.823 -0.167 0.000 0.994 472 V HN -0.129 nan 8.190 nan 0.000 0.431 473 K N 4.411 124.748 120.400 -0.105 0.000 2.098 473 K HA 0.668 5.014 4.320 0.044 0.000 0.261 473 K C -0.833 175.804 176.600 0.062 0.000 0.987 473 K CA -0.763 55.555 56.287 0.052 0.000 0.916 473 K CB 1.917 34.521 32.500 0.173 0.000 1.039 473 K HN 0.762 nan 8.250 nan 0.000 0.455 474 M N 2.978 122.650 119.600 0.119 0.000 2.142 474 M HA 0.354 4.860 4.480 0.044 0.000 0.299 474 M C -1.535 174.844 176.300 0.131 0.000 0.960 474 M CA -0.525 54.826 55.300 0.086 0.000 0.920 474 M CB 0.879 33.511 32.600 0.054 0.000 1.541 474 M HN 0.380 nan 8.290 nan 0.000 0.429 475 I N 5.680 126.306 120.570 0.093 0.000 2.411 475 I HA 0.321 4.518 4.170 0.044 0.000 0.284 475 I C -1.260 175.059 176.117 0.337 0.000 1.012 475 I CA -0.484 60.905 61.300 0.149 0.000 1.119 475 I CB 1.084 39.072 38.000 -0.019 0.000 1.261 475 I HN 0.547 nan 8.210 nan 0.000 0.448 476 F N 7.102 127.160 119.950 0.180 0.000 2.404 476 F HA 0.361 4.914 4.527 0.043 0.000 0.354 476 F C -0.072 175.871 175.800 0.238 0.000 1.122 476 F CA -0.628 57.485 58.000 0.188 0.000 1.080 476 F CB 0.489 39.572 39.000 0.137 0.000 1.131 476 F HN 0.403 nan 8.300 nan 0.000 0.471 477 H N 8.421 127.517 119.070 0.043 0.000 2.530 477 H HA 0.333 4.915 4.556 0.044 0.000 0.246 477 H C -2.525 172.594 175.328 -0.347 0.000 1.346 477 H CA -2.129 53.854 56.048 -0.109 0.000 1.424 477 H CB 1.357 31.113 29.762 -0.009 0.000 1.445 477 H HN 0.338 nan 8.280 nan 0.000 0.511 478 P HA 0.100 nan 4.420 nan 0.000 0.232 478 P C -0.510 176.332 177.300 -0.763 0.000 1.738 478 P CA 0.298 62.903 63.100 -0.824 0.000 0.948 478 P CB -0.134 31.014 31.700 -0.920 0.000 1.943 479 E N 0.357 120.162 120.200 -0.659 0.000 2.537 479 E HA 0.315 4.691 4.350 0.044 0.000 0.301 479 E C -0.952 175.507 176.600 -0.236 0.000 0.990 479 E CA -0.723 55.332 56.400 -0.575 0.000 0.828 479 E CB 0.261 29.491 29.700 -0.783 0.000 1.243 479 E HN -0.160 nan 8.360 nan 0.000 0.414 480 F N 2.083 122.013 119.950 -0.034 0.000 2.587 480 F HA 0.193 4.746 4.527 0.043 0.000 0.327 480 F C 0.814 176.659 175.800 0.074 0.000 1.232 480 F CA 0.200 58.210 58.000 0.016 0.000 1.353 480 F CB 0.321 39.302 39.000 -0.031 0.000 1.156 480 F HN 0.318 nan 8.300 nan 0.000 0.599 481 L N 2.131 123.509 121.223 0.258 0.000 2.295 481 L HA 0.388 4.754 4.340 0.044 0.000 0.285 481 L C -0.323 176.608 176.870 0.102 0.000 1.035 481 L CA -0.509 54.394 54.840 0.105 0.000 0.806 481 L CB 0.872 42.894 42.059 -0.061 0.000 1.214 481 L HN 0.550 nan 8.230 nan 0.000 0.426 482 N N 1.013 119.756 118.700 0.072 0.000 2.260 482 N HA 0.304 5.070 4.740 0.044 0.000 0.293 482 N C 0.347 175.871 175.510 0.024 0.000 1.058 482 N CA -0.349 52.733 53.050 0.054 0.000 0.824 482 N CB 2.325 40.855 38.487 0.072 0.000 1.551 482 N HN 0.653 nan 8.380 nan 0.000 0.475 483 A N 1.934 124.759 122.820 0.010 0.000 2.131 483 A HA -0.184 4.163 4.320 0.044 0.000 0.220 483 A C 1.081 178.662 177.584 -0.004 0.000 1.158 483 A CA 1.445 53.478 52.037 -0.007 0.000 0.665 483 A CB -0.786 18.209 19.000 -0.008 0.000 0.795 483 A HN 0.835 nan 8.150 nan 0.000 0.460 484 N N -0.817 117.892 118.700 0.015 0.000 2.276 484 N HA 0.051 4.817 4.740 0.044 0.000 0.212 484 N C -0.538 174.995 175.510 0.037 0.000 1.127 484 N CA -0.355 52.708 53.050 0.021 0.000 0.834 484 N CB -0.022 38.482 38.487 0.028 0.000 1.014 484 N HN 0.125 nan 8.380 nan 0.000 0.491 485 N N 1.622 120.341 118.700 0.032 0.000 2.458 485 N HA 0.150 4.916 4.740 0.044 0.000 0.270 485 N C -1.538 173.918 175.510 -0.090 0.000 1.102 485 N CA -1.957 51.117 53.050 0.038 0.000 0.967 485 N CB 1.354 39.894 38.487 0.089 0.000 1.078 485 N HN 0.042 nan 8.380 nan 0.000 0.471 486 P HA -0.121 nan 4.420 nan 0.000 0.217 486 P C 1.038 178.176 177.300 -0.270 0.000 1.148 486 P CA 0.850 63.811 63.100 -0.231 0.000 0.828 486 P CB 0.426 31.935 31.700 -0.318 0.000 0.783 487 I N -2.048 118.260 120.570 -0.438 0.000 2.368 487 I HA 0.013 4.209 4.170 0.044 0.000 0.238 487 I C 0.998 177.044 176.117 -0.119 0.000 1.076 487 I CA 0.844 61.996 61.300 -0.247 0.000 1.397 487 I CB -0.618 37.165 38.000 -0.363 0.000 1.141 487 I HN -0.155 nan 8.210 nan 0.000 0.430 488 L N 0.520 121.589 121.223 -0.257 0.000 2.417 488 L HA 0.536 4.902 4.340 0.044 0.000 0.259 488 L C 0.639 177.379 176.870 -0.217 0.000 1.023 488 L CA -0.294 54.340 54.840 -0.344 0.000 0.901 488 L CB 0.526 42.134 42.059 -0.751 0.000 1.227 488 L HN 0.158 nan 8.230 nan 0.000 0.454 489 G N 5.388 114.116 108.800 -0.119 0.000 3.356 489 G HA2 0.305 4.291 3.960 0.044 0.000 0.239 489 G HA3 0.305 4.291 3.960 0.044 0.000 0.239 489 G C -0.034 174.824 174.900 -0.069 0.000 1.252 489 G CA 0.013 45.067 45.100 -0.076 0.000 1.611 489 G HN 0.458 nan 8.290 nan 0.000 0.580 490 L N -0.824 120.340 121.223 -0.097 0.000 2.323 490 L HA 0.504 4.871 4.340 0.044 0.000 0.265 490 L C -0.456 176.389 176.870 -0.043 0.000 1.012 490 L CA -1.358 53.442 54.840 -0.067 0.000 0.820 490 L CB 1.785 43.804 42.059 -0.067 0.000 1.334 490 L HN -0.094 nan 8.230 nan 0.000 0.427 491 D N -0.834 119.563 120.400 -0.005 0.000 2.411 491 D HA 0.026 4.693 4.640 0.044 0.000 0.251 491 D C 0.393 176.739 176.300 0.078 0.000 1.201 491 D CA -0.120 53.904 54.000 0.039 0.000 0.996 491 D CB 0.813 41.639 40.800 0.043 0.000 1.101 491 D HN 0.465 nan 8.370 nan 0.000 0.504 492 Y N 0.874 121.177 120.300 0.007 0.000 2.163 492 Y HA -0.219 4.356 4.550 0.042 0.000 0.288 492 Y C 1.980 177.921 175.900 0.068 0.000 1.136 492 Y CA 2.183 60.307 58.100 0.039 0.000 1.147 492 Y CB 0.033 38.531 38.460 0.063 0.000 0.987 492 Y HN 0.447 nan 8.280 nan 0.000 0.509 493 D N -0.196 120.286 120.400 0.136 0.000 2.123 493 D HA -0.254 4.412 4.640 0.044 0.000 0.196 493 D C 1.614 177.885 176.300 -0.048 0.000 0.992 493 D CA 1.858 55.891 54.000 0.056 0.000 0.833 493 D CB -0.570 40.340 40.800 0.183 0.000 0.954 493 D HN 0.598 nan 8.370 nan 0.000 0.455 494 E N -0.296 119.890 120.200 -0.023 0.000 2.049 494 E HA -0.177 4.200 4.350 0.044 0.000 0.198 494 E C 2.037 178.565 176.600 -0.120 0.000 1.007 494 E CA 1.135 57.504 56.400 -0.051 0.000 0.809 494 E CB -0.362 29.321 29.700 -0.029 0.000 0.749 494 E HN 0.338 nan 8.360 nan 0.000 0.450 495 F N 1.285 121.044 119.950 -0.317 0.000 2.075 495 F HA -0.234 4.320 4.527 0.044 0.000 0.297 495 F C 2.165 177.643 175.800 -0.536 0.000 1.113 495 F CA 1.144 58.871 58.000 -0.456 0.000 1.218 495 F CB -0.513 38.160 39.000 -0.545 0.000 0.984 495 F HN -0.202 nan 8.300 nan 0.000 0.472 496 V N 1.323 120.789 119.914 -0.746 0.000 2.282 496 V HA -0.371 3.775 4.120 0.044 0.000 0.249 496 V C 2.641 178.489 176.094 -0.409 0.000 1.057 496 V CA 2.483 64.303 62.300 -0.800 0.000 1.032 496 V CB -0.735 30.767 31.823 -0.536 0.000 0.645 496 V HN 0.330 nan 8.190 nan 0.000 0.447 497 R N -0.156 120.197 120.500 -0.245 0.000 2.096 497 R HA -0.118 4.248 4.340 0.044 0.000 0.235 497 R C 2.308 178.578 176.300 -0.049 0.000 1.127 497 R CA 1.386 57.438 56.100 -0.078 0.000 0.968 497 R CB -0.731 29.551 30.300 -0.030 0.000 0.861 497 R HN 0.612 nan 8.270 nan 0.000 0.440 498 G N -0.025 108.628 108.800 -0.246 0.000 2.679 498 G HA2 -0.114 3.872 3.960 0.044 0.000 0.212 498 G HA3 -0.114 3.872 3.960 0.044 0.000 0.212 498 G C 0.486 175.211 174.900 -0.291 0.000 1.137 498 G CA 0.078 44.983 45.100 -0.325 0.000 0.787 498 G HN 0.219 nan 8.290 nan 0.000 0.534 499 C N -1.239 117.908 119.300 -0.255 0.000 2.365 499 C HA 0.546 5.032 4.460 0.044 0.000 0.374 499 C C 1.449 176.462 174.990 0.038 0.000 1.318 499 C CA -0.616 58.349 59.018 -0.089 0.000 2.239 499 C CB 1.055 28.764 27.740 -0.052 0.000 2.144 499 C HN 0.472 nan 8.230 nan 0.000 0.581 500 H N -0.776 118.533 119.070 0.398 0.000 2.695 500 H HA 0.379 4.961 4.556 0.044 0.000 0.267 500 H C -0.456 174.952 175.328 0.133 0.000 0.973 500 H CA 0.479 56.757 56.048 0.383 0.000 1.223 500 H CB 0.641 30.727 29.762 0.540 0.000 1.442 500 H HN 0.340 nan 8.280 nan 0.000 0.478 501 L N 0.652 121.920 121.223 0.076 0.000 2.639 501 L HA 0.504 4.871 4.340 0.044 0.000 0.264 501 L C -0.510 176.019 176.870 -0.570 0.000 0.948 501 L CA -0.574 53.989 54.840 -0.463 0.000 0.912 501 L CB 1.626 43.013 42.059 -1.120 0.000 1.294 501 L HN 0.085 nan 8.230 nan 0.000 0.412 502 G N 3.427 111.807 108.800 -0.700 0.000 2.395 502 G HA2 0.569 4.555 3.960 0.044 0.000 0.283 502 G HA3 0.569 4.555 3.960 0.044 0.000 0.283 502 G C -1.190 172.842 174.900 -1.446 0.000 1.178 502 G CA -0.414 43.849 45.100 -1.395 0.000 0.837 502 G HN 0.552 nan 8.290 nan 0.000 0.518 503 V N 2.173 121.000 119.914 -1.811 0.000 2.380 503 V HA 0.384 4.531 4.120 0.044 0.000 0.286 503 V C -1.183 174.145 176.094 -1.276 0.000 1.015 503 V CA -0.612 60.962 62.300 -1.211 0.000 0.834 503 V CB 0.694 32.223 31.823 -0.490 0.000 1.009 503 V HN 0.630 nan 8.190 nan 0.000 0.428 504 F N 5.308 125.100 119.950 -0.264 0.000 2.550 504 F HA 0.453 5.007 4.527 0.045 0.000 0.348 504 F C -2.336 173.398 175.800 -0.111 0.000 1.219 504 F CA -2.529 55.354 58.000 -0.195 0.000 1.203 504 F CB 1.393 40.289 39.000 -0.174 0.000 1.436 504 F HN 0.295 nan 8.300 nan 0.000 0.541 505 P HA 0.081 nan 4.420 nan 0.000 0.237 505 P C -0.223 177.120 177.300 0.071 0.000 1.723 505 P CA 0.157 63.281 63.100 0.039 0.000 0.882 505 P CB -0.108 31.620 31.700 0.046 0.000 1.810 506 S N 0.119 115.870 115.700 0.085 0.000 2.562 506 S HA 0.047 4.543 4.470 0.044 0.000 0.281 506 S C 0.457 175.163 174.600 0.176 0.000 1.333 506 S CA -0.164 58.102 58.200 0.111 0.000 1.052 506 S CB 0.574 63.816 63.200 0.070 0.000 0.884 506 S HN 0.273 nan 8.310 nan 0.000 0.506 507 Y N 1.724 122.080 120.300 0.093 0.000 2.464 507 Y HA 0.315 4.892 4.550 0.045 0.000 0.288 507 Y C -0.082 176.019 175.900 0.335 0.000 1.133 507 Y CA 0.128 58.331 58.100 0.173 0.000 1.223 507 Y CB 0.163 38.719 38.460 0.160 0.000 1.187 507 Y HN 0.688 nan 8.280 nan 0.000 0.539 508 Y N 1.962 122.253 120.300 -0.015 0.000 2.326 508 Y HA 0.479 5.057 4.550 0.047 0.000 0.329 508 Y C -1.206 174.705 175.900 0.019 0.000 0.973 508 Y CA -1.219 56.830 58.100 -0.085 0.000 1.162 508 Y CB 0.900 39.220 38.460 -0.233 0.000 1.147 508 Y HN 0.210 nan 8.280 nan 0.000 0.456 509 E N 8.215 128.173 120.200 -0.403 0.000 2.639 509 E HA 0.274 4.650 4.350 0.044 0.000 0.378 509 E C -2.740 173.728 176.600 -0.220 0.000 1.002 509 E CA -1.545 54.712 56.400 -0.238 0.000 0.747 509 E CB 1.367 31.018 29.700 -0.082 0.000 1.571 509 E HN 0.370 nan 8.360 nan 0.000 0.382 510 P HA -0.071 nan 4.420 nan 0.000 0.218 510 P C 0.093 177.496 177.300 0.171 0.000 1.149 510 P CA 0.939 64.008 63.100 -0.051 0.000 0.817 510 P CB 0.162 31.860 31.700 -0.003 0.000 0.785 511 W N -1.264 119.987 121.300 -0.082 0.000 4.677 511 W HA 0.335 5.012 4.660 0.028 0.000 0.187 511 W C -0.593 175.869 176.519 -0.094 0.000 1.786 511 W CA 0.514 57.801 57.345 -0.097 0.000 2.308 511 W CB 0.351 29.703 29.460 -0.180 0.000 1.158 511 W HN -0.014 nan 8.180 nan 0.000 0.865 512 G N 1.808 110.503 108.800 -0.174 0.000 2.858 512 G HA2 -0.289 3.697 3.960 0.044 0.000 0.272 512 G HA3 -0.289 3.697 3.960 0.044 0.000 0.272 512 G C -0.684 173.929 174.900 -0.478 0.000 1.003 512 G CA -0.028 44.876 45.100 -0.326 0.000 1.241 512 G HN 0.443 nan 8.290 nan 0.000 0.569 513 Y N 0.662 120.899 120.300 -0.106 0.000 2.314 513 Y HA -0.144 4.431 4.550 0.042 0.000 0.293 513 Y C 3.213 178.949 175.900 -0.273 0.000 1.129 513 Y CA 2.179 60.230 58.100 -0.082 0.000 1.201 513 Y CB 0.199 38.711 38.460 0.086 0.000 0.999 513 Y HN 0.695 nan 8.280 nan 0.000 0.541 514 T N -1.000 113.466 114.554 -0.148 0.000 2.635 514 T HA -0.181 4.195 4.350 0.044 0.000 0.267 514 T C -0.561 173.722 174.700 -0.695 0.000 1.040 514 T CA 1.312 63.238 62.100 -0.290 0.000 1.156 514 T CB -1.886 66.824 68.868 -0.263 0.000 0.863 514 T HN 0.248 nan 8.240 nan 0.000 0.430 515 P HA 0.102 nan 4.420 nan 0.000 0.216 515 P C 1.720 178.449 177.300 -0.952 0.000 1.153 515 P CA 1.477 63.904 63.100 -1.123 0.000 0.844 515 P CB -0.304 30.907 31.700 -0.817 0.000 0.787 516 A N 1.310 123.348 122.820 -1.303 0.000 1.930 516 A HA -0.186 4.160 4.320 0.044 0.000 0.217 516 A C 2.212 179.504 177.584 -0.487 0.000 1.175 516 A CA 1.726 53.006 52.037 -1.262 0.000 0.627 516 A CB -1.223 17.152 19.000 -1.042 0.000 0.815 516 A HN 0.409 nan 8.150 nan 0.000 0.443 517 E N -1.154 118.857 120.200 -0.316 0.000 2.299 517 E HA -0.118 4.259 4.350 0.044 0.000 0.193 517 E C 1.884 178.336 176.600 -0.246 0.000 0.998 517 E CA 0.888 57.124 56.400 -0.273 0.000 0.851 517 E CB -0.709 28.938 29.700 -0.089 0.000 0.795 517 E HN 0.478 nan 8.360 nan 0.000 0.492 518 C N 1.116 120.309 119.300 -0.178 0.000 2.429 518 C HA -0.095 4.392 4.460 0.044 0.000 0.277 518 C C 2.759 177.718 174.990 -0.051 0.000 1.262 518 C CA 1.689 60.690 59.018 -0.028 0.000 1.733 518 C CB -1.099 26.672 27.740 0.052 0.000 2.010 518 C HN 0.561 nan 8.230 nan 0.000 0.483 519 T N 0.250 114.743 114.554 -0.102 0.000 2.777 519 T HA -0.109 4.267 4.350 0.044 0.000 0.266 519 T C 1.779 176.445 174.700 -0.057 0.000 1.040 519 T CA 1.683 63.769 62.100 -0.023 0.000 1.141 519 T CB -0.280 68.627 68.868 0.065 0.000 0.868 519 T HN 0.417 nan 8.240 nan 0.000 0.444 520 V N 1.562 121.382 119.914 -0.155 0.000 2.469 520 V HA -0.134 4.012 4.120 0.044 0.000 0.251 520 V C 2.233 178.220 176.094 -0.178 0.000 1.064 520 V CA 1.523 63.706 62.300 -0.197 0.000 1.066 520 V CB -0.570 31.018 31.823 -0.392 0.000 0.667 520 V HN 0.527 nan 8.190 nan 0.000 0.461 521 M N -0.401 119.082 119.600 -0.196 0.000 2.618 521 M HA 0.209 4.715 4.480 0.044 0.000 0.240 521 M C 1.315 177.608 176.300 -0.012 0.000 1.123 521 M CA 0.881 56.127 55.300 -0.090 0.000 1.060 521 M CB 0.071 32.625 32.600 -0.075 0.000 1.535 521 M HN 0.519 nan 8.290 nan 0.000 0.507 522 G N 1.162 109.959 108.800 -0.004 0.000 2.212 522 G HA2 -0.178 3.808 3.960 0.044 0.000 0.255 522 G HA3 -0.178 3.808 3.960 0.044 0.000 0.255 522 G C -0.380 174.544 174.900 0.041 0.000 1.062 522 G CA -0.301 44.816 45.100 0.029 0.000 0.815 522 G HN 0.328 nan 8.290 nan 0.000 0.497 523 V N 0.647 120.589 119.914 0.046 0.000 2.495 523 V HA 0.533 4.679 4.120 0.044 0.000 0.298 523 V C -1.785 174.342 176.094 0.055 0.000 1.031 523 V CA -1.895 60.442 62.300 0.062 0.000 0.871 523 V CB 2.225 34.103 31.823 0.092 0.000 0.988 523 V HN 0.122 nan 8.190 nan 0.000 0.432 524 P HA 0.207 nan 4.420 nan 0.000 0.267 524 P C -0.722 176.503 177.300 -0.125 0.000 1.200 524 P CA 0.263 63.366 63.100 0.004 0.000 0.772 524 P CB 0.467 32.158 31.700 -0.015 0.000 0.855 525 S N 1.203 116.849 115.700 -0.091 0.000 2.550 525 S HA 0.655 5.151 4.470 0.044 0.000 0.270 525 S C -0.895 173.618 174.600 -0.144 0.000 1.145 525 S CA -0.864 57.259 58.200 -0.127 0.000 0.852 525 S CB 0.996 64.285 63.200 0.148 0.000 1.119 525 S HN 0.207 nan 8.310 nan 0.000 0.465 526 I N 1.636 122.048 120.570 -0.263 0.000 2.389 526 I HA 0.536 4.732 4.170 0.044 0.000 0.288 526 I C 0.263 176.353 176.117 -0.046 0.000 0.999 526 I CA -0.225 60.948 61.300 -0.212 0.000 1.129 526 I CB 1.943 39.727 38.000 -0.361 0.000 1.288 526 I HN 0.739 nan 8.210 nan 0.000 0.444 527 T N 3.406 117.966 114.554 0.009 0.000 2.768 527 T HA 0.654 5.030 4.350 0.044 0.000 0.268 527 T C -0.021 174.667 174.700 -0.021 0.000 0.969 527 T CA -0.210 61.922 62.100 0.055 0.000 1.008 527 T CB 1.657 70.594 68.868 0.116 0.000 1.371 527 T HN 0.748 nan 8.240 nan 0.000 0.587 528 T N -0.161 114.378 114.554 -0.025 0.000 2.883 528 T HA 0.437 4.813 4.350 0.044 0.000 0.284 528 T C 0.487 175.126 174.700 -0.101 0.000 1.041 528 T CA -0.662 61.406 62.100 -0.053 0.000 1.007 528 T CB 0.995 69.846 68.868 -0.029 0.000 1.220 528 T HN 0.592 nan 8.240 nan 0.000 0.552 529 N N -0.072 118.549 118.700 -0.132 0.000 2.230 529 N HA 0.028 4.794 4.740 0.044 0.000 0.202 529 N C 1.129 176.484 175.510 -0.257 0.000 1.119 529 N CA 0.398 53.346 53.050 -0.170 0.000 0.851 529 N CB -0.194 38.208 38.487 -0.140 0.000 0.990 529 N HN 0.594 nan 8.380 nan 0.000 0.497 530 V N -4.154 115.592 119.914 -0.280 0.000 3.528 530 V HA 0.333 4.479 4.120 0.044 0.000 0.294 530 V C 0.795 176.793 176.094 -0.160 0.000 1.404 530 V CA -0.378 61.686 62.300 -0.392 0.000 1.065 530 V CB -0.463 30.914 31.823 -0.743 0.000 0.904 530 V HN 0.216 nan 8.190 nan 0.000 0.435 531 S N 1.290 116.918 115.700 -0.120 0.000 2.565 531 S HA 0.525 5.022 4.470 0.044 0.000 0.276 531 S C 1.570 176.113 174.600 -0.096 0.000 1.326 531 S CA 0.324 58.466 58.200 -0.097 0.000 1.045 531 S CB 1.223 64.372 63.200 -0.084 0.000 0.918 531 S HN 0.591 nan 8.310 nan 0.000 0.505 532 G N 3.448 112.206 108.800 -0.070 0.000 2.421 532 G HA2 -0.161 3.826 3.960 0.044 0.000 0.216 532 G HA3 -0.161 3.826 3.960 0.044 0.000 0.216 532 G C 1.073 175.882 174.900 -0.151 0.000 1.171 532 G CA 0.737 45.855 45.100 0.029 0.000 0.775 532 G HN 0.775 nan 8.290 nan 0.000 0.543 533 F N 2.555 122.059 119.950 -0.744 0.000 2.171 533 F HA 0.078 4.625 4.527 0.034 0.000 0.300 533 F C 2.465 178.018 175.800 -0.412 0.000 1.090 533 F CA 1.314 58.697 58.000 -1.028 0.000 1.293 533 F CB -0.509 37.766 39.000 -1.210 0.000 1.013 533 F HN 0.113 nan 8.300 nan 0.000 0.486 534 G N 0.122 108.710 108.800 -0.354 0.000 2.511 534 G HA2 -0.367 3.619 3.960 0.044 0.000 0.216 534 G HA3 -0.367 3.619 3.960 0.044 0.000 0.216 534 G C 1.791 176.522 174.900 -0.281 0.000 1.218 534 G CA 1.917 46.823 45.100 -0.324 0.000 0.788 534 G HN 0.538 nan 8.290 nan 0.000 0.560 535 S N 0.179 115.783 115.700 -0.160 0.000 2.407 535 S HA -0.398 4.098 4.470 0.044 0.000 0.244 535 S C 2.206 176.774 174.600 -0.052 0.000 1.077 535 S CA 2.225 60.380 58.200 -0.074 0.000 1.159 535 S CB -1.035 62.170 63.200 0.008 0.000 1.045 535 S HN 0.505 nan 8.310 nan 0.000 0.438 536 Y N 1.506 121.708 120.300 -0.165 0.000 2.181 536 Y HA -0.021 4.530 4.550 0.003 0.000 0.288 536 Y C 2.541 178.297 175.900 -0.240 0.000 1.146 536 Y CA 1.723 59.753 58.100 -0.118 0.000 1.164 536 Y CB -0.629 37.856 38.460 0.043 0.000 0.982 536 Y HN 0.240 nan 8.280 nan 0.000 0.515 537 M N 0.641 119.924 119.600 -0.529 0.000 2.159 537 M HA -0.170 4.337 4.480 0.044 0.000 0.263 537 M C 2.132 178.175 176.300 -0.428 0.000 1.063 537 M CA 1.583 56.506 55.300 -0.629 0.000 1.110 537 M CB -0.887 31.219 32.600 -0.822 0.000 1.374 537 M HN 0.382 nan 8.290 nan 0.000 0.411 538 E N -0.136 119.873 120.200 -0.318 0.000 2.187 538 E HA -0.232 4.144 4.350 0.044 0.000 0.199 538 E C 0.371 176.852 176.600 -0.199 0.000 1.004 538 E CA 1.514 57.788 56.400 -0.210 0.000 0.813 538 E CB -0.025 29.590 29.700 -0.142 0.000 0.736 538 E HN 0.452 nan 8.360 nan 0.000 0.468 539 D N -0.490 119.763 120.400 -0.246 0.000 2.323 539 D HA 0.123 4.789 4.640 0.044 0.000 0.239 539 D C -0.307 175.837 176.300 -0.260 0.000 1.129 539 D CA 0.458 54.327 54.000 -0.218 0.000 0.865 539 D CB 0.119 40.801 40.800 -0.195 0.000 0.913 539 D HN 0.122 nan 8.370 nan 0.000 0.517 547 K N 1.255 121.574 120.400 -0.134 0.000 2.360 547 K HA -0.065 4.281 4.320 0.044 0.000 0.201 547 K C 0.552 176.994 176.600 -0.263 0.000 1.046 547 K CA 1.239 57.327 56.287 -0.332 0.000 0.945 547 K CB -0.182 31.970 32.500 -0.580 0.000 0.750 547 K HN 0.508 nan 8.250 nan 0.000 0.464 548 D N 0.303 120.611 120.400 -0.154 0.000 2.265 548 D HA -0.169 4.497 4.640 0.044 0.000 0.208 548 D C 0.993 177.165 176.300 -0.214 0.000 0.977 548 D CA 1.239 55.129 54.000 -0.184 0.000 0.871 548 D CB -0.022 40.634 40.800 -0.240 0.000 0.925 548 D HN 0.320 nan 8.370 nan 0.000 0.485 549 Y N -0.132 120.131 120.300 -0.062 0.000 2.490 549 Y HA 0.244 4.833 4.550 0.065 0.000 0.281 549 Y C 1.833 177.739 175.900 0.010 0.000 1.174 549 Y CA 0.390 58.475 58.100 -0.026 0.000 1.295 549 Y CB 0.565 39.000 38.460 -0.043 0.000 1.062 549 Y HN 0.044 nan 8.280 nan 0.000 0.522 550 G N 0.515 109.394 108.800 0.132 0.000 2.144 550 G HA2 -0.253 3.734 3.960 0.044 0.000 0.218 550 G HA3 -0.253 3.734 3.960 0.044 0.000 0.218 550 G C -0.093 174.933 174.900 0.210 0.000 0.988 550 G CA -0.112 45.110 45.100 0.203 0.000 0.659 550 G HN 0.264 nan 8.290 nan 0.000 0.522 551 I N 1.173 121.810 120.570 0.113 0.000 2.420 551 I HA 0.401 4.598 4.170 0.044 0.000 0.282 551 I C -0.190 175.913 176.117 -0.023 0.000 1.019 551 I CA -1.119 60.234 61.300 0.088 0.000 1.130 551 I CB 0.953 38.956 38.000 0.004 0.000 1.262 551 I HN 0.108 nan 8.210 nan 0.000 0.454 552 Y N 6.276 126.439 120.300 -0.228 0.000 2.308 552 Y HA 0.558 5.134 4.550 0.043 0.000 0.329 552 Y C 0.267 175.915 175.900 -0.420 0.000 1.111 552 Y CA -0.879 56.952 58.100 -0.448 0.000 1.179 552 Y CB 1.400 39.418 38.460 -0.737 0.000 1.201 552 Y HN 0.333 nan 8.280 nan 0.000 0.483 553 I N 4.008 124.409 120.570 -0.282 0.000 2.420 553 I HA 0.213 4.410 4.170 0.044 0.000 0.282 553 I C -0.819 175.230 176.117 -0.113 0.000 1.019 553 I CA -0.810 60.387 61.300 -0.173 0.000 1.130 553 I CB 1.290 39.216 38.000 -0.123 0.000 1.262 553 I HN 0.321 nan 8.210 nan 0.000 0.454 554 V N 4.973 124.845 119.914 -0.071 0.000 2.572 554 V HA 0.001 4.148 4.120 0.044 0.000 0.291 554 V C 0.401 176.525 176.094 0.050 0.000 1.039 554 V CA 0.013 62.362 62.300 0.082 0.000 1.055 554 V CB 1.197 33.068 31.823 0.081 0.000 0.969 554 V HN 0.633 nan 8.190 nan 0.000 0.482 555 D N 4.831 125.285 120.400 0.090 0.000 2.352 555 D HA 0.132 4.798 4.640 0.044 0.000 0.245 555 D C 0.858 177.161 176.300 0.004 0.000 1.224 555 D CA -0.030 53.995 54.000 0.042 0.000 0.879 555 D CB 0.602 41.470 40.800 0.113 0.000 1.057 555 D HN 0.371 nan 8.370 nan 0.000 0.491 556 R N 3.107 123.565 120.500 -0.069 0.000 2.365 556 R HA 0.108 4.475 4.340 0.044 0.000 0.223 556 R C 1.676 177.912 176.300 -0.106 0.000 0.899 556 R CA 0.008 56.083 56.100 -0.042 0.000 1.059 556 R CB 0.414 30.718 30.300 0.006 0.000 1.086 556 R HN 0.433 nan 8.270 nan 0.000 0.522 557 R N -0.773 119.534 120.500 -0.321 0.000 2.175 557 R HA 0.076 4.442 4.340 0.044 0.000 0.202 557 R C 0.777 176.765 176.300 -0.520 0.000 1.018 557 R CA 0.862 56.626 56.100 -0.559 0.000 1.029 557 R CB 0.279 29.959 30.300 -1.034 0.000 0.959 557 R HN -0.024 nan 8.270 nan 0.000 0.480 558 F N 0.409 120.359 119.950 -0.001 0.000 2.480 558 F HA 0.326 4.878 4.527 0.042 0.000 0.280 558 F C 0.571 176.383 175.800 0.020 0.000 1.002 558 F CA -0.030 57.974 58.000 0.006 0.000 1.325 558 F CB -0.319 38.673 39.000 -0.014 0.000 1.134 558 F HN -0.330 nan 8.300 nan 0.000 0.646 559 K N 1.307 121.817 120.400 0.184 0.000 2.319 559 K HA 0.443 4.790 4.320 0.044 0.000 0.265 559 K C 0.167 176.814 176.600 0.078 0.000 1.000 559 K CA -0.163 56.191 56.287 0.111 0.000 0.943 559 K CB 0.568 33.120 32.500 0.087 0.000 0.950 559 K HN 0.103 nan 8.250 nan 0.000 0.485 560 A N 3.111 125.968 122.820 0.061 0.000 2.346 560 A HA 0.179 4.525 4.320 0.044 0.000 0.252 560 A C -1.585 176.018 177.584 0.031 0.000 1.089 560 A CA -1.261 50.805 52.037 0.048 0.000 0.797 560 A CB -0.201 18.823 19.000 0.040 0.000 1.047 560 A HN 0.499 nan 8.150 nan 0.000 0.494 561 P HA -0.207 nan 4.420 nan 0.000 0.217 561 P C 0.911 178.210 177.300 -0.002 0.000 1.151 561 P CA 1.749 64.848 63.100 -0.002 0.000 0.849 561 P CB 0.182 31.874 31.700 -0.013 0.000 0.787 562 D N -0.704 119.697 120.400 0.002 0.000 2.137 562 D HA -0.119 4.548 4.640 0.044 0.000 0.202 562 D C 1.705 178.004 176.300 -0.001 0.000 0.970 562 D CA 0.917 54.915 54.000 -0.004 0.000 0.837 562 D CB 0.028 40.824 40.800 -0.007 0.000 0.981 562 D HN 0.215 nan 8.370 nan 0.000 0.475 563 E N 0.263 120.468 120.200 0.008 0.000 2.153 563 E HA -0.105 4.271 4.350 0.044 0.000 0.194 563 E C 2.256 178.868 176.600 0.020 0.000 0.988 563 E CA 0.673 57.079 56.400 0.010 0.000 0.811 563 E CB 0.069 29.781 29.700 0.020 0.000 0.746 563 E HN 0.081 nan 8.360 nan 0.000 0.466 564 S N 0.609 116.325 115.700 0.028 0.000 2.351 564 S HA -0.168 4.329 4.470 0.044 0.000 0.220 564 S C 2.251 176.873 174.600 0.038 0.000 1.035 564 S CA 1.199 59.424 58.200 0.041 0.000 1.031 564 S CB -0.338 62.881 63.200 0.031 0.000 0.928 564 S HN 0.076 nan 8.310 nan 0.000 0.433 565 V N 2.407 122.331 119.914 0.017 0.000 2.252 565 V HA -0.210 3.937 4.120 0.044 0.000 0.249 565 V C 2.613 178.711 176.094 0.006 0.000 1.056 565 V CA 1.816 64.121 62.300 0.008 0.000 1.022 565 V CB -0.682 31.134 31.823 -0.011 0.000 0.641 565 V HN 0.410 nan 8.190 nan 0.000 0.445 566 E N -0.305 119.891 120.200 -0.007 0.000 2.085 566 E HA -0.292 4.084 4.350 0.044 0.000 0.194 566 E C 2.224 178.808 176.600 -0.026 0.000 0.994 566 E CA 1.670 58.057 56.400 -0.023 0.000 0.801 566 E CB -0.349 29.331 29.700 -0.033 0.000 0.743 566 E HN 0.747 nan 8.360 nan 0.000 0.453 567 Q N 0.480 120.274 119.800 -0.010 0.000 2.135 567 Q HA -0.143 4.223 4.340 0.044 0.000 0.204 567 Q C 2.351 178.380 176.000 0.049 0.000 0.981 567 Q CA 0.884 56.666 55.803 -0.035 0.000 0.856 567 Q CB -0.103 28.672 28.738 0.062 0.000 0.902 567 Q HN 0.265 nan 8.270 nan 0.000 0.425 568 L N -0.153 121.147 121.223 0.130 0.000 1.994 568 L HA -0.185 4.182 4.340 0.044 0.000 0.208 568 L C 2.261 179.200 176.870 0.115 0.000 1.071 568 L CA 1.254 56.201 54.840 0.179 0.000 0.745 568 L CB -0.257 41.855 42.059 0.089 0.000 0.892 568 L HN 0.213 nan 8.230 nan 0.000 0.431 569 V N -0.496 119.442 119.914 0.040 0.000 2.407 569 V HA -0.286 3.860 4.120 0.044 0.000 0.248 569 V C 2.101 178.211 176.094 0.027 0.000 1.055 569 V CA 1.873 64.189 62.300 0.026 0.000 1.049 569 V CB -0.850 30.971 31.823 -0.004 0.000 0.662 569 V HN 0.462 nan 8.190 nan 0.000 0.455 570 D N -0.569 119.810 120.400 -0.035 0.000 2.117 570 D HA -0.174 4.492 4.640 0.044 0.000 0.197 570 D C 2.094 178.377 176.300 -0.028 0.000 0.987 570 D CA 1.651 55.599 54.000 -0.087 0.000 0.829 570 D CB -0.356 40.309 40.800 -0.224 0.000 0.961 570 D HN 0.576 nan 8.370 nan 0.000 0.460 571 Y N 0.458 120.805 120.300 0.079 0.000 2.163 571 Y HA -0.128 4.450 4.550 0.047 0.000 0.288 571 Y C 2.703 178.613 175.900 0.017 0.000 1.136 571 Y CA 0.709 58.871 58.100 0.103 0.000 1.147 571 Y CB -0.156 38.344 38.460 0.066 0.000 0.987 571 Y HN -0.121 nan 8.280 nan 0.000 0.509 572 M N -0.214 119.480 119.600 0.158 0.000 2.067 572 M HA -0.257 4.249 4.480 0.044 0.000 0.260 572 M C 2.205 178.668 176.300 0.271 0.000 1.069 572 M CA 1.886 57.299 55.300 0.187 0.000 1.117 572 M CB -0.374 32.371 32.600 0.242 0.000 1.334 572 M HN 0.227 nan 8.290 nan 0.000 0.407 573 E N 0.702 121.006 120.200 0.172 0.000 2.048 573 E HA -0.310 4.066 4.350 0.044 0.000 0.202 573 E C 1.850 178.535 176.600 0.142 0.000 1.021 573 E CA 2.084 58.559 56.400 0.125 0.000 0.825 573 E CB -0.149 29.592 29.700 0.068 0.000 0.756 573 E HN 0.512 nan 8.360 nan 0.000 0.454 574 E N -0.707 119.591 120.200 0.164 0.000 2.130 574 E HA -0.257 4.120 4.350 0.044 0.000 0.196 574 E C 1.916 178.644 176.600 0.213 0.000 0.998 574 E CA 1.398 57.907 56.400 0.182 0.000 0.806 574 E CB -0.312 29.539 29.700 0.252 0.000 0.738 574 E HN 0.384 nan 8.360 nan 0.000 0.459 575 F N 0.686 120.710 119.950 0.124 0.000 2.146 575 F HA -0.144 4.409 4.527 0.043 0.000 0.298 575 F C 2.102 177.960 175.800 0.097 0.000 1.096 575 F CA 1.246 59.308 58.000 0.104 0.000 1.275 575 F CB -0.198 38.816 39.000 0.023 0.000 1.008 575 F HN -0.097 nan 8.300 nan 0.000 0.480 576 V N 0.434 120.461 119.914 0.187 0.000 2.332 576 V HA -0.303 3.843 4.120 0.044 0.000 0.248 576 V C 1.657 177.705 176.094 -0.076 0.000 1.055 576 V CA 2.006 64.326 62.300 0.034 0.000 1.038 576 V CB -0.831 31.020 31.823 0.046 0.000 0.651 576 V HN 0.237 nan 8.190 nan 0.000 0.450 577 K N 0.589 120.966 120.400 -0.038 0.000 2.627 577 K HA 0.143 4.489 4.320 0.044 0.000 0.212 577 K C 0.290 176.842 176.600 -0.080 0.000 1.041 577 K CA -0.049 56.208 56.287 -0.051 0.000 1.205 577 K CB 0.001 32.492 32.500 -0.016 0.000 0.936 577 K HN 0.334 nan 8.250 nan 0.000 0.489 578 K N 1.845 122.152 120.400 -0.154 0.000 2.143 578 K HA 0.074 4.421 4.320 0.044 0.000 0.272 578 K C 0.260 176.762 176.600 -0.163 0.000 1.001 578 K CA -0.306 55.876 56.287 -0.175 0.000 0.915 578 K CB 1.059 33.371 32.500 -0.314 0.000 1.047 578 K HN 0.087 nan 8.250 nan 0.000 0.458 579 T N 0.201 114.687 114.554 -0.115 0.000 2.828 579 T HA 0.218 4.595 4.350 0.044 0.000 0.290 579 T C 1.335 175.974 174.700 -0.101 0.000 1.019 579 T CA -0.091 61.953 62.100 -0.093 0.000 1.031 579 T CB 1.383 70.213 68.868 -0.063 0.000 1.001 579 T HN 0.563 nan 8.240 nan 0.000 0.531 580 A N 1.193 123.966 122.820 -0.078 0.000 1.978 580 A HA 0.127 4.474 4.320 0.044 0.000 0.220 580 A C 2.564 180.118 177.584 -0.050 0.000 1.170 580 A CA 1.964 53.962 52.037 -0.064 0.000 0.636 580 A CB -1.436 17.541 19.000 -0.039 0.000 0.810 580 A HN 1.248 nan 8.150 nan 0.000 0.448 581 A N -1.295 121.498 122.820 -0.045 0.000 1.943 581 A HA -0.020 4.326 4.320 0.044 0.000 0.213 581 A C 2.042 179.601 177.584 -0.041 0.000 1.181 581 A CA 1.089 53.105 52.037 -0.035 0.000 0.653 581 A CB -0.371 18.612 19.000 -0.028 0.000 0.833 581 A HN 0.589 nan 8.150 nan 0.000 0.451 582 Q N -0.373 119.394 119.800 -0.055 0.000 2.170 582 Q HA -0.130 4.236 4.340 0.044 0.000 0.203 582 Q C 2.326 178.292 176.000 -0.058 0.000 0.976 582 Q CA 1.358 57.127 55.803 -0.056 0.000 0.858 582 Q CB -0.312 28.387 28.738 -0.065 0.000 0.907 582 Q HN 0.692 nan 8.270 nan 0.000 0.433 583 A N 0.866 123.633 122.820 -0.088 0.000 1.872 583 A HA -0.096 4.251 4.320 0.044 0.000 0.214 583 A C 1.956 179.532 177.584 -0.013 0.000 1.187 583 A CA 0.754 52.742 52.037 -0.082 0.000 0.614 583 A CB -0.427 18.476 19.000 -0.163 0.000 0.826 583 A HN 0.270 nan 8.150 nan 0.000 0.442 584 I N 0.351 120.908 120.570 -0.020 0.000 2.567 584 I HA -0.214 3.983 4.170 0.044 0.000 0.257 584 I C 1.896 178.011 176.117 -0.004 0.000 1.184 584 I CA 0.844 62.140 61.300 -0.006 0.000 1.451 584 I CB -0.689 37.309 38.000 -0.003 0.000 1.089 584 I HN 0.324 nan 8.210 nan 0.000 0.441 585 N N 1.034 119.725 118.700 -0.014 0.000 2.051 585 N HA -0.197 4.570 4.740 0.044 0.000 0.192 585 N C 1.786 177.284 175.510 -0.020 0.000 1.049 585 N CA 1.202 54.238 53.050 -0.024 0.000 0.845 585 N CB -0.485 37.978 38.487 -0.039 0.000 1.031 585 N HN 0.346 nan 8.380 nan 0.000 0.425 586 Q N 0.700 120.501 119.800 0.001 0.000 1.967 586 Q HA -0.169 4.197 4.340 0.044 0.000 0.210 586 Q C 2.062 178.098 176.000 0.060 0.000 1.005 586 Q CA 1.595 57.419 55.803 0.036 0.000 0.862 586 Q CB -0.017 28.801 28.738 0.134 0.000 0.939 586 Q HN 0.206 nan 8.270 nan 0.000 0.417 587 R N 0.170 120.718 120.500 0.080 0.000 2.159 587 R HA -0.195 4.172 4.340 0.044 0.000 0.252 587 R C 1.817 178.145 176.300 0.048 0.000 1.144 587 R CA 1.721 57.860 56.100 0.065 0.000 0.961 587 R CB -0.780 29.538 30.300 0.030 0.000 0.877 587 R HN 0.428 nan 8.270 nan 0.000 0.444 588 N N 0.293 119.012 118.700 0.032 0.000 2.309 588 N HA -0.097 4.669 4.740 0.044 0.000 0.182 588 N C 1.792 177.331 175.510 0.048 0.000 1.018 588 N CA 0.849 53.919 53.050 0.032 0.000 0.876 588 N CB -0.127 38.370 38.487 0.018 0.000 0.972 588 N HN 0.277 nan 8.380 nan 0.000 0.434 589 R N -0.052 120.473 120.500 0.041 0.000 2.062 589 R HA -0.036 4.330 4.340 0.044 0.000 0.226 589 R C 2.296 178.715 176.300 0.198 0.000 1.125 589 R CA 1.616 57.762 56.100 0.076 0.000 0.966 589 R CB -0.511 29.722 30.300 -0.112 0.000 0.861 589 R HN 0.353 nan 8.270 nan 0.000 0.433 590 T N -1.155 113.492 114.554 0.156 0.000 2.788 590 T HA -0.190 4.186 4.350 0.044 0.000 0.268 590 T C 1.740 176.506 174.700 0.110 0.000 1.044 590 T CA 1.496 63.689 62.100 0.155 0.000 1.139 590 T CB -0.149 68.794 68.868 0.125 0.000 0.867 590 T HN 0.298 nan 8.240 nan 0.000 0.454 591 E N 0.552 120.804 120.200 0.087 0.000 2.267 591 E HA -0.115 4.261 4.350 0.044 0.000 0.197 591 E C 2.430 179.069 176.600 0.065 0.000 0.998 591 E CA 0.720 57.159 56.400 0.064 0.000 0.830 591 E CB -0.007 29.726 29.700 0.055 0.000 0.751 591 E HN 0.548 nan 8.360 nan 0.000 0.491 592 R N -0.435 120.116 120.500 0.085 0.000 2.210 592 R HA 0.103 4.470 4.340 0.044 0.000 0.203 592 R C 2.269 178.602 176.300 0.054 0.000 1.010 592 R CA 0.105 56.249 56.100 0.074 0.000 1.008 592 R CB 0.099 30.456 30.300 0.094 0.000 0.923 592 R HN 0.235 nan 8.270 nan 0.000 0.469 593 L N 0.972 122.230 121.223 0.058 0.000 2.191 593 L HA -0.219 4.147 4.340 0.044 0.000 0.212 593 L C 2.554 179.441 176.870 0.027 0.000 1.103 593 L CA 1.433 56.282 54.840 0.015 0.000 0.769 593 L CB -0.592 41.483 42.059 0.026 0.000 0.908 593 L HN 0.315 nan 8.230 nan 0.000 0.438 594 S N -0.214 115.506 115.700 0.035 0.000 2.378 594 S HA -0.309 4.187 4.470 0.044 0.000 0.229 594 S C 1.598 176.215 174.600 0.030 0.000 1.052 594 S CA 1.944 60.158 58.200 0.024 0.000 1.084 594 S CB -0.532 62.679 63.200 0.018 0.000 0.950 594 S HN 0.444 nan 8.310 nan 0.000 0.440 595 D N 1.146 121.566 120.400 0.032 0.000 2.351 595 D HA 0.033 4.700 4.640 0.044 0.000 0.216 595 D C 1.839 178.158 176.300 0.032 0.000 0.968 595 D CA 0.590 54.611 54.000 0.034 0.000 0.899 595 D CB -0.197 40.623 40.800 0.033 0.000 0.907 595 D HN 0.431 nan 8.370 nan 0.000 0.514 596 L N 0.076 121.317 121.223 0.030 0.000 2.291 596 L HA -0.057 4.310 4.340 0.044 0.000 0.214 596 L C 1.956 178.866 176.870 0.067 0.000 1.120 596 L CA 0.605 55.468 54.840 0.039 0.000 0.799 596 L CB -0.007 42.063 42.059 0.018 0.000 0.925 596 L HN 0.045 nan 8.230 nan 0.000 0.446 597 L N -1.269 119.989 121.223 0.057 0.000 2.640 597 L HA 0.100 4.467 4.340 0.044 0.000 0.230 597 L C 0.473 177.296 176.870 -0.078 0.000 1.123 597 L CA -0.354 54.511 54.840 0.041 0.000 0.900 597 L CB 0.063 42.180 42.059 0.097 0.000 1.146 597 L HN 0.109 nan 8.230 nan 0.000 0.484 598 D N -1.128 119.251 120.400 -0.036 0.000 2.368 598 D HA -0.076 4.591 4.640 0.044 0.000 0.240 598 D C 0.785 177.040 176.300 -0.074 0.000 1.169 598 D CA 0.211 54.190 54.000 -0.036 0.000 0.906 598 D CB 0.710 41.540 40.800 0.049 0.000 1.187 598 D HN -0.006 nan 8.370 nan 0.000 0.435 599 W N 0.914 122.219 121.300 0.007 0.000 2.363 599 W HA -0.059 4.630 4.660 0.049 0.000 0.296 599 W C 2.168 178.665 176.519 -0.037 0.000 1.212 599 W CA 0.232 57.551 57.345 -0.044 0.000 1.260 599 W CB -0.011 29.397 29.460 -0.087 0.000 1.131 599 W HN 0.448 nan 8.180 nan 0.000 0.530 600 K N -0.086 120.432 120.400 0.197 0.000 2.293 600 K HA -0.241 4.106 4.320 0.044 0.000 0.204 600 K C 2.017 178.674 176.600 0.095 0.000 1.045 600 K CA 1.510 57.865 56.287 0.114 0.000 0.933 600 K CB -0.162 32.383 32.500 0.075 0.000 0.736 600 K HN 0.114 nan 8.250 nan 0.000 0.463 601 R N -0.760 119.793 120.500 0.089 0.000 2.257 601 R HA 0.149 4.515 4.340 0.044 0.000 0.195 601 R C 1.748 178.102 176.300 0.090 0.000 0.921 601 R CA 0.154 56.300 56.100 0.077 0.000 1.069 601 R CB 0.341 30.678 30.300 0.061 0.000 1.115 601 R HN 0.078 nan 8.270 nan 0.000 0.571 602 M N -0.150 119.488 119.600 0.064 0.000 2.447 602 M HA 0.097 4.603 4.480 0.044 0.000 0.264 602 M C 2.002 178.435 176.300 0.222 0.000 1.095 602 M CA 1.076 56.392 55.300 0.028 0.000 1.125 602 M CB -0.335 32.094 32.600 -0.286 0.000 1.389 602 M HN 0.250 nan 8.290 nan 0.000 0.459 603 G N 1.018 110.019 108.800 0.334 0.000 2.470 603 G HA2 -0.134 3.852 3.960 0.044 0.000 0.220 603 G HA3 -0.134 3.852 3.960 0.044 0.000 0.220 603 G C 1.555 176.590 174.900 0.225 0.000 1.121 603 G CA 0.340 45.606 45.100 0.277 0.000 0.766 603 G HN 0.412 nan 8.290 nan 0.000 0.553 604 L N 0.163 121.497 121.223 0.184 0.000 2.362 604 L HA 0.039 4.406 4.340 0.044 0.000 0.219 604 L C 2.467 179.444 176.870 0.178 0.000 1.134 604 L CA 0.459 55.391 54.840 0.154 0.000 0.807 604 L CB -0.227 41.898 42.059 0.111 0.000 0.927 604 L HN 0.095 nan 8.230 nan 0.000 0.447 605 E N -0.312 120.022 120.200 0.223 0.000 2.216 605 E HA -0.130 4.246 4.350 0.044 0.000 0.192 605 E C 2.022 178.763 176.600 0.234 0.000 0.988 605 E CA 1.069 57.588 56.400 0.199 0.000 0.834 605 E CB -0.121 29.682 29.700 0.171 0.000 0.772 605 E HN 0.539 nan 8.360 nan 0.000 0.479 606 Y N 0.100 120.473 120.300 0.121 0.000 2.220 606 Y HA -0.152 4.421 4.550 0.039 0.000 0.291 606 Y C 2.414 178.392 175.900 0.131 0.000 1.129 606 Y CA 0.541 58.727 58.100 0.142 0.000 1.161 606 Y CB 0.051 38.604 38.460 0.155 0.000 0.997 606 Y HN -0.149 nan 8.280 nan 0.000 0.522 607 V N 0.438 120.523 119.914 0.285 0.000 2.343 607 V HA -0.329 3.818 4.120 0.044 0.000 0.247 607 V C 2.002 178.189 176.094 0.155 0.000 1.051 607 V CA 1.876 64.306 62.300 0.216 0.000 1.036 607 V CB -0.500 31.425 31.823 0.170 0.000 0.654 607 V HN 0.377 nan 8.190 nan 0.000 0.451 608 K N 0.159 120.634 120.400 0.125 0.000 2.097 608 K HA -0.148 4.199 4.320 0.044 0.000 0.206 608 K C 2.300 178.920 176.600 0.034 0.000 1.049 608 K CA 1.500 57.834 56.287 0.078 0.000 0.933 608 K CB -0.385 32.154 32.500 0.064 0.000 0.717 608 K HN 0.498 nan 8.250 nan 0.000 0.442 609 A N 1.752 124.580 122.820 0.013 0.000 1.855 609 A HA -0.155 4.191 4.320 0.044 0.000 0.215 609 A C 2.090 179.634 177.584 -0.066 0.000 1.191 609 A CA 1.209 53.206 52.037 -0.067 0.000 0.613 609 A CB -0.392 18.516 19.000 -0.154 0.000 0.829 609 A HN 0.192 nan 8.150 nan 0.000 0.442 610 R N -0.476 120.022 120.500 -0.002 0.000 2.083 610 R HA -0.151 4.216 4.340 0.044 0.000 0.237 610 R C 2.455 178.749 176.300 -0.011 0.000 1.137 610 R CA 1.642 57.746 56.100 0.005 0.000 0.951 610 R CB -0.420 29.960 30.300 0.134 0.000 0.851 610 R HN 0.634 nan 8.270 nan 0.000 0.434 611 Q N 0.449 120.279 119.800 0.050 0.000 2.167 611 Q HA -0.136 4.231 4.340 0.044 0.000 0.202 611 Q C 2.215 178.172 176.000 -0.071 0.000 0.970 611 Q CA 0.919 56.770 55.803 0.080 0.000 0.855 611 Q CB -0.118 28.738 28.738 0.198 0.000 0.911 611 Q HN 0.206 nan 8.270 nan 0.000 0.438 612 L N 0.691 121.859 121.223 -0.092 0.000 2.131 612 L HA -0.084 4.282 4.340 0.044 0.000 0.210 612 L C 2.139 178.887 176.870 -0.204 0.000 1.092 612 L CA 1.832 56.569 54.840 -0.172 0.000 0.759 612 L CB -0.591 41.402 42.059 -0.111 0.000 0.903 612 L HN 0.074 nan 8.230 nan 0.000 0.435 613 A N -0.552 122.174 122.820 -0.156 0.000 1.933 613 A HA -0.134 4.213 4.320 0.044 0.000 0.218 613 A C 2.226 179.684 177.584 -0.210 0.000 1.175 613 A CA 1.897 53.837 52.037 -0.161 0.000 0.628 613 A CB -0.743 18.180 19.000 -0.128 0.000 0.814 613 A HN 0.509 nan 8.150 nan 0.000 0.444 614 L N -1.176 119.936 121.223 -0.186 0.000 2.023 614 L HA -0.142 4.224 4.340 0.044 0.000 0.205 614 L C 2.722 179.429 176.870 -0.271 0.000 1.073 614 L CA 1.648 56.402 54.840 -0.144 0.000 0.745 614 L CB -0.481 41.628 42.059 0.084 0.000 0.900 614 L HN 0.435 nan 8.230 nan 0.000 0.435 615 R N 0.739 120.836 120.500 -0.672 0.000 2.139 615 R HA -0.168 4.198 4.340 0.044 0.000 0.243 615 R C 2.194 178.235 176.300 -0.430 0.000 1.145 615 R CA 1.553 57.037 56.100 -1.026 0.000 0.976 615 R CB -0.310 29.086 30.300 -1.506 0.000 0.866 615 R HN 0.218 nan 8.270 nan 0.000 0.449 616 R N -1.137 119.166 120.500 -0.329 0.000 2.193 616 R HA 0.089 4.456 4.340 0.044 0.000 0.213 616 R C 2.051 178.218 176.300 -0.222 0.000 1.055 616 R CA 1.025 56.993 56.100 -0.219 0.000 0.995 616 R CB -0.048 30.146 30.300 -0.176 0.000 0.893 616 R HN 0.477 nan 8.270 nan 0.000 0.459 617 G N -0.777 107.816 108.800 -0.345 0.000 2.459 617 G HA2 -0.119 3.867 3.960 0.044 0.000 0.213 617 G HA3 -0.119 3.867 3.960 0.044 0.000 0.213 617 G C 0.421 175.002 174.900 -0.532 0.000 1.155 617 G CA 0.143 44.909 45.100 -0.556 0.000 0.811 617 G HN 0.275 nan 8.290 nan 0.000 0.534 618 Y N 0.308 120.618 120.300 0.017 0.000 2.470 618 Y HA 0.295 4.872 4.550 0.044 0.000 0.352 618 Y C -1.719 174.230 175.900 0.082 0.000 0.967 618 Y CA -1.983 56.152 58.100 0.058 0.000 1.121 618 Y CB 1.728 40.243 38.460 0.092 0.000 1.149 618 Y HN 0.078 nan 8.280 nan 0.000 0.641 619 P HA -0.184 nan 4.420 nan 0.000 0.216 619 P C 0.867 178.265 177.300 0.164 0.000 1.150 619 P CA 1.704 64.863 63.100 0.100 0.000 0.843 619 P CB 0.480 32.208 31.700 0.046 0.000 0.787 620 D N -0.686 119.807 120.400 0.154 0.000 2.085 620 D HA -0.121 4.545 4.640 0.044 0.000 0.199 620 D C 2.102 178.491 176.300 0.148 0.000 0.981 620 D CA 1.082 55.159 54.000 0.129 0.000 0.834 620 D CB -0.726 40.130 40.800 0.094 0.000 0.992 620 D HN 0.290 nan 8.370 nan 0.000 0.457 621 Q N -0.341 119.559 119.800 0.167 0.000 2.234 621 Q HA -0.159 4.207 4.340 0.044 0.000 0.206 621 Q C 2.087 178.185 176.000 0.162 0.000 0.980 621 Q CA 0.731 56.614 55.803 0.133 0.000 0.869 621 Q CB -0.244 28.557 28.738 0.105 0.000 0.912 621 Q HN 0.279 nan 8.270 nan 0.000 0.436 622 F N 1.424 121.430 119.950 0.094 0.000 2.146 622 F HA -0.151 4.400 4.527 0.041 0.000 0.298 622 F C 2.614 178.446 175.800 0.053 0.000 1.096 622 F CA 1.295 59.342 58.000 0.078 0.000 1.275 622 F CB 0.047 39.091 39.000 0.073 0.000 1.008 622 F HN -0.114 nan 8.300 nan 0.000 0.480 623 R N 0.506 121.131 120.500 0.207 0.000 2.091 623 R HA -0.185 4.181 4.340 0.044 0.000 0.238 623 R C 2.165 178.478 176.300 0.022 0.000 1.136 623 R CA 1.965 58.132 56.100 0.112 0.000 0.959 623 R CB -0.304 30.061 30.300 0.108 0.000 0.856 623 R HN 0.281 nan 8.270 nan 0.000 0.437 624 E N 0.537 120.747 120.200 0.016 0.000 2.058 624 E HA -0.239 4.138 4.350 0.044 0.000 0.194 624 E C 2.028 178.595 176.600 -0.055 0.000 0.997 624 E CA 1.033 57.426 56.400 -0.011 0.000 0.801 624 E CB -0.386 29.314 29.700 0.000 0.000 0.746 624 E HN 0.320 nan 8.360 nan 0.000 0.450 625 L N 0.501 121.656 121.223 -0.112 0.000 2.291 625 L HA -0.082 4.285 4.340 0.044 0.000 0.214 625 L C 2.059 178.812 176.870 -0.195 0.000 1.120 625 L CA 0.747 55.488 54.840 -0.166 0.000 0.799 625 L CB 0.304 42.216 42.059 -0.245 0.000 0.925 625 L HN -0.101 nan 8.230 nan 0.000 0.446 626 V N -1.558 118.235 119.914 -0.202 0.000 3.379 626 V HA 0.384 4.530 4.120 0.044 0.000 0.249 626 V C 1.600 177.662 176.094 -0.053 0.000 1.184 626 V CA 0.744 62.957 62.300 -0.145 0.000 1.106 626 V CB 0.222 31.956 31.823 -0.149 0.000 0.826 626 V HN 0.503 nan 8.190 nan 0.000 0.465 627 G N 1.273 110.053 108.800 -0.032 0.000 2.159 627 G HA2 -0.178 3.808 3.960 0.044 0.000 0.227 627 G HA3 -0.178 3.808 3.960 0.044 0.000 0.227 627 G C 0.084 174.991 174.900 0.011 0.000 0.986 627 G CA 0.462 45.557 45.100 -0.008 0.000 0.651 627 G HN 0.688 nan 8.290 nan 0.000 0.523 628 E N -0.924 119.292 120.200 0.027 0.000 2.357 628 E HA 0.481 4.858 4.350 0.044 0.000 0.264 628 E C -1.011 175.632 176.600 0.072 0.000 1.164 628 E CA -0.669 55.757 56.400 0.043 0.000 0.893 628 E CB 0.148 29.872 29.700 0.040 0.000 1.619 628 E HN 0.492 nan 8.360 nan 0.000 0.464 629 E N 1.571 121.815 120.200 0.073 0.000 2.145 629 E HA 0.499 4.876 4.350 0.044 0.000 0.262 629 E C -0.723 175.931 176.600 0.089 0.000 0.883 629 E CA -0.726 55.730 56.400 0.095 0.000 0.748 629 E CB 1.188 30.932 29.700 0.072 0.000 1.140 629 E HN 0.329 nan 8.360 nan 0.000 0.417 630 L N 2.514 123.812 121.223 0.126 0.000 2.421 630 L HA 0.288 4.654 4.340 0.044 0.000 0.263 630 L C 0.629 177.532 176.870 0.055 0.000 1.122 630 L CA -1.040 53.861 54.840 0.102 0.000 0.804 630 L CB 0.711 42.865 42.059 0.158 0.000 1.150 630 L HN 0.608 nan 8.230 nan 0.000 0.457 631 N N 1.210 119.931 118.700 0.035 0.000 2.518 631 N HA -0.007 4.759 4.740 0.044 0.000 0.266 631 N C -0.545 174.954 175.510 -0.019 0.000 1.196 631 N CA -0.139 52.917 53.050 0.009 0.000 0.947 631 N CB 0.701 39.196 38.487 0.013 0.000 1.098 631 N HN 0.578 nan 8.380 nan 0.000 0.450 632 D N 0.096 120.474 120.400 -0.037 0.000 2.891 632 D HA 0.140 4.806 4.640 0.044 0.000 0.312 632 D C -0.190 176.081 176.300 -0.049 0.000 1.354 632 D CA -0.329 53.629 54.000 -0.070 0.000 0.838 632 D CB -0.578 40.159 40.800 -0.105 0.000 1.117 632 D HN 0.343 nan 8.370 nan 0.000 0.473 633 S N -0.855 114.829 115.700 -0.027 0.000 2.514 633 S HA 0.206 4.702 4.470 0.044 0.000 0.223 633 S C 0.702 175.296 174.600 -0.010 0.000 1.046 633 S CA -0.240 57.951 58.200 -0.015 0.000 0.914 633 S CB 0.194 63.392 63.200 -0.003 0.000 0.807 633 S HN 0.161 nan 8.310 nan 0.000 0.497 634 N N 0.628 119.322 118.700 -0.011 0.000 2.629 634 N HA 0.484 5.251 4.740 0.044 0.000 0.279 634 N C 0.326 175.826 175.510 -0.017 0.000 1.344 634 N CA -0.670 52.374 53.050 -0.010 0.000 0.789 634 N CB 0.768 39.256 38.487 0.002 0.000 1.508 634 N HN 0.049 nan 8.380 nan 0.000 0.516 635 M N -0.458 119.132 119.600 -0.017 0.000 2.447 635 M HA 0.083 4.589 4.480 0.044 0.000 0.264 635 M C 0.136 176.443 176.300 0.011 0.000 1.095 635 M CA 0.975 56.268 55.300 -0.011 0.000 1.125 635 M CB -0.085 32.504 32.600 -0.018 0.000 1.389 635 M HN 0.300 nan 8.290 nan 0.000 0.459 636 D N 1.276 121.684 120.400 0.014 0.000 2.183 636 D HA 0.067 4.734 4.640 0.044 0.000 0.205 636 D C 2.167 178.482 176.300 0.024 0.000 0.962 636 D CA 1.161 55.176 54.000 0.025 0.000 0.849 636 D CB -0.020 40.796 40.800 0.027 0.000 0.978 636 D HN 0.285 nan 8.370 nan 0.000 0.488 637 A N 0.549 123.379 122.820 0.016 0.000 2.024 637 A HA -0.158 4.189 4.320 0.044 0.000 0.220 637 A C 2.097 179.694 177.584 0.021 0.000 1.164 637 A CA 0.978 53.025 52.037 0.016 0.000 0.643 637 A CB -0.507 18.498 19.000 0.008 0.000 0.806 637 A HN 0.241 nan 8.150 nan 0.000 0.451 638 L N -1.372 119.863 121.223 0.019 0.000 2.049 638 L HA 0.314 4.681 4.340 0.044 0.000 0.203 638 L C 1.372 178.278 176.870 0.061 0.000 1.074 638 L CA 1.720 56.581 54.840 0.035 0.000 0.749 638 L CB -0.453 41.617 42.059 0.018 0.000 0.907 638 L HN 0.388 nan 8.230 nan 0.000 0.439 639 A N 0.000 122.854 122.820 0.056 0.000 2.254 639 A HA 0.000 4.346 4.320 0.044 0.000 0.244 639 A CA 0.000 52.073 52.037 0.060 0.000 0.836 639 A CB 0.000 19.042 19.000 0.070 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486