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_B DATA FIRST_RESID 2 DATA SEQUENCE SRDLQNHLLF ETATEVANRV GGIYSVLKSK APITVAQYKD HYHLIGPLNK DATA SEQUENCE ATYQNEVDIL DWKKPEAFSD EMRPVQHALQ TMESRGVHFV YGRWLIEGAP DATA SEQUENCE KVILFDLDSV RGYSNEWKGD LWSLVGIPSP ENDFETNDAI LLGYTVAWFL DATA SEQUENCE GEVAHLDSQH AIVAHFHEWL AGVALPLCRK RRIDVVTIFT THATLLGRYL DATA SEQUENCE CASGXXDFYN CLESVDVDHE AGRFGIYHRY CIERAAAHSA DVFTTVSQIT DATA SEQUENCE AFEAEHLLKR KPDGILPNGL NVIKFQXXXX XXXLHALKKE KINDFVRGHF DATA SEQUENCE HGCFDFDLDN TLYFFIAGRY EYKNKGADMF IEALARLNYR LKVSGSKKTV DATA SEQUENCE VAFIVMPAKN NSFTVEALKG QAEVRALENT VHEVTTSIGK RIFDHAIRYP DATA SEQUENCE XXXXXXXXXX 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 -0.099 0.000 1.107 2 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 3 R N 0.861 121.262 120.500 -0.166 0.000 2.720 3 R HA 0.497 4.838 4.340 0.001 0.000 0.272 3 R C -1.069 175.192 176.300 -0.064 0.000 0.991 3 R CA -0.984 55.043 56.100 -0.121 0.000 1.010 3 R CB 0.773 30.980 30.300 -0.155 0.000 1.141 3 R HN 0.448 nan 8.270 nan 0.000 0.494 4 D N 2.125 122.531 120.400 0.011 0.000 2.393 4 D HA 0.087 4.728 4.640 0.001 0.000 0.232 4 D C 1.057 177.457 176.300 0.166 0.000 1.192 4 D CA -0.075 53.967 54.000 0.071 0.000 0.882 4 D CB 0.724 41.568 40.800 0.074 0.000 1.038 4 D HN 0.407 nan 8.370 nan 0.000 0.499 5 L N 2.447 123.762 121.223 0.153 0.000 2.093 5 L HA -0.161 4.180 4.340 0.001 0.000 0.208 5 L C 2.113 179.152 176.870 0.282 0.000 1.085 5 L CA 0.761 55.739 54.840 0.230 0.000 0.755 5 L CB -0.379 41.815 42.059 0.225 0.000 0.904 5 L HN 0.426 nan 8.230 nan 0.000 0.435 6 Q N 1.657 121.573 119.800 0.194 0.000 1.948 6 Q HA -0.195 4.145 4.340 0.001 0.000 0.205 6 Q C 0.997 177.143 176.000 0.243 0.000 0.992 6 Q CA 1.713 57.621 55.803 0.175 0.000 0.849 6 Q CB -0.261 28.529 28.738 0.086 0.000 0.918 6 Q HN 0.507 nan 8.270 nan 0.000 0.421 7 N N 0.707 119.535 118.700 0.214 0.000 2.558 7 N HA 0.171 4.912 4.740 0.001 0.000 0.233 7 N C -1.178 174.549 175.510 0.362 0.000 1.038 7 N CA -0.333 52.843 53.050 0.210 0.000 0.934 7 N CB 0.187 38.793 38.487 0.198 0.000 1.175 7 N HN 0.412 nan 8.380 nan 0.000 0.512 8 H N 1.001 120.254 119.070 0.306 0.000 2.858 8 H HA 0.713 5.270 4.556 0.001 0.000 0.318 8 H C -1.169 174.297 175.328 0.231 0.000 1.419 8 H CA -1.218 55.007 56.048 0.296 0.000 1.373 8 H CB 0.609 30.531 29.762 0.266 0.000 1.915 8 H HN 0.217 nan 8.280 nan 0.000 0.704 9 L N 0.829 122.222 121.223 0.283 0.000 2.334 9 L HA 0.376 4.717 4.340 0.001 0.000 0.276 9 L C -1.264 175.594 176.870 -0.020 0.000 1.014 9 L CA -0.707 54.142 54.840 0.015 0.000 0.815 9 L CB 1.708 43.732 42.059 -0.058 0.000 1.268 9 L HN 0.624 nan 8.230 nan 0.000 0.428 10 L N 3.955 125.001 121.223 -0.295 0.000 2.349 10 L HA 0.609 4.949 4.340 0.001 0.000 0.278 10 L C -1.571 175.044 176.870 -0.424 0.000 0.996 10 L CA -0.020 54.660 54.840 -0.267 0.000 0.825 10 L CB 0.942 42.735 42.059 -0.444 0.000 1.243 10 L HN 0.290 nan 8.230 nan 0.000 0.412 11 F N 3.462 123.448 119.950 0.061 0.000 2.382 11 F HA 0.452 4.980 4.527 0.001 0.000 0.361 11 F C 0.311 176.052 175.800 -0.098 0.000 1.109 11 F CA -0.559 57.430 58.000 -0.019 0.000 1.031 11 F CB 1.417 40.426 39.000 0.015 0.000 1.234 11 F HN 0.457 nan 8.300 nan 0.000 0.445 12 E N 2.066 122.295 120.200 0.048 0.000 2.146 12 E HA 0.442 4.793 4.350 0.001 0.000 0.282 12 E C -0.932 175.629 176.600 -0.066 0.000 0.989 12 E CA -0.342 56.066 56.400 0.013 0.000 0.799 12 E CB 1.021 30.814 29.700 0.155 0.000 1.088 12 E HN 0.490 nan 8.360 nan 0.000 0.397 13 T N 2.436 116.891 114.554 -0.166 0.000 2.792 13 T HA 0.727 5.077 4.350 0.001 0.000 0.280 13 T C -0.916 173.816 174.700 0.053 0.000 0.990 13 T CA -0.595 61.435 62.100 -0.115 0.000 0.960 13 T CB 1.453 70.165 68.868 -0.260 0.000 0.939 13 T HN 0.501 nan 8.240 nan 0.000 0.439 14 A N 1.991 124.843 122.820 0.053 0.000 2.606 14 A HA 0.676 4.996 4.320 0.001 0.000 0.293 14 A C 0.990 178.575 177.584 0.002 0.000 1.082 14 A CA -0.799 51.287 52.037 0.082 0.000 0.685 14 A CB 0.664 19.727 19.000 0.105 0.000 1.284 14 A HN 0.604 nan 8.150 nan 0.000 0.408 15 T N 0.209 114.758 114.554 -0.009 0.000 2.929 15 T HA -0.074 4.277 4.350 0.001 0.000 0.271 15 T C 1.171 175.838 174.700 -0.054 0.000 1.085 15 T CA 2.286 64.361 62.100 -0.041 0.000 1.125 15 T CB -0.074 68.752 68.868 -0.071 0.000 0.874 15 T HN 0.687 nan 8.240 nan 0.000 0.494 16 E N 0.681 120.849 120.200 -0.054 0.000 2.385 16 E HA 0.057 4.408 4.350 0.001 0.000 0.194 16 E C 2.159 178.668 176.600 -0.151 0.000 1.013 16 E CA 0.077 56.459 56.400 -0.030 0.000 0.866 16 E CB -0.461 29.262 29.700 0.038 0.000 0.832 16 E HN 0.403 nan 8.360 nan 0.000 0.500 17 V N 0.384 120.127 119.914 -0.286 0.000 2.289 17 V HA -0.397 3.723 4.120 0.001 0.000 0.250 17 V C 1.658 177.054 176.094 -1.163 0.000 1.034 17 V CA 2.066 63.981 62.300 -0.643 0.000 1.093 17 V CB -1.300 30.215 31.823 -0.515 0.000 0.742 17 V HN 0.303 nan 8.190 nan 0.000 0.491 18 A N 2.322 124.641 122.820 -0.835 0.000 3.003 18 A HA 0.601 4.922 4.320 0.001 0.000 0.301 18 A C 0.318 177.807 177.584 -0.159 0.000 1.280 18 A CA 0.166 51.705 52.037 -0.830 0.000 0.973 18 A CB -1.335 17.233 19.000 -0.720 0.000 1.110 18 A HN 1.153 nan 8.150 nan 0.000 0.590 19 N N -1.549 117.177 118.700 0.044 0.000 2.697 19 N HA 0.208 4.948 4.740 0.001 0.000 0.271 19 N C -0.797 174.830 175.510 0.194 0.000 1.149 19 N CA -0.706 52.434 53.050 0.149 0.000 0.939 19 N CB 0.801 39.308 38.487 0.034 0.000 1.534 19 N HN 0.151 nan 8.380 nan 0.000 0.556 20 R N 2.364 122.804 120.500 -0.100 0.000 2.483 20 R HA 0.114 4.454 4.340 0.001 0.000 0.329 20 R C -0.433 175.780 176.300 -0.146 0.000 0.961 20 R CA 0.288 56.128 56.100 -0.435 0.000 1.041 20 R CB 0.274 30.082 30.300 -0.821 0.000 0.930 20 R HN 0.683 nan 8.270 nan 0.000 0.413 21 V N 3.114 122.999 119.914 -0.048 0.000 3.193 21 V HA 0.250 4.370 4.120 0.001 0.000 0.237 21 V C 0.832 176.921 176.094 -0.008 0.000 1.447 21 V CA 0.715 63.001 62.300 -0.024 0.000 1.227 21 V CB 0.905 32.726 31.823 -0.003 0.000 1.040 21 V HN 0.855 nan 8.190 nan 0.000 0.458 22 G N -0.689 108.119 108.800 0.013 0.000 3.209 22 G HA2 0.519 4.479 3.960 0.001 0.000 0.236 22 G HA3 0.519 4.479 3.960 0.001 0.000 0.236 22 G C 0.741 175.667 174.900 0.044 0.000 1.329 22 G CA 0.293 45.408 45.100 0.024 0.000 1.015 22 G HN 0.233 nan 8.290 nan 0.000 0.571 23 G N -0.942 107.890 108.800 0.055 0.000 2.887 23 G HA2 0.106 4.067 3.960 0.001 0.000 0.211 23 G HA3 0.106 4.067 3.960 0.001 0.000 0.211 23 G C 1.448 176.400 174.900 0.087 0.000 1.152 23 G CA 0.058 45.215 45.100 0.095 0.000 0.769 23 G HN 0.419 nan 8.290 nan 0.000 0.541 24 I N -0.157 120.402 120.570 -0.019 0.000 2.286 24 I HA -0.200 3.970 4.170 0.001 0.000 0.248 24 I C 2.348 178.473 176.117 0.013 0.000 1.115 24 I CA 1.061 62.275 61.300 -0.143 0.000 1.392 24 I CB -0.319 37.511 38.000 -0.283 0.000 1.065 24 I HN 0.286 nan 8.210 nan 0.000 0.418 25 Y N 1.929 122.211 120.300 -0.031 0.000 2.062 25 Y HA -0.392 4.158 4.550 0.001 0.000 0.276 25 Y C 2.837 178.786 175.900 0.081 0.000 1.189 25 Y CA 2.329 60.465 58.100 0.060 0.000 1.130 25 Y CB -0.213 38.281 38.460 0.057 0.000 0.959 25 Y HN 0.068 nan 8.280 nan 0.000 0.499 26 S N -0.345 115.547 115.700 0.320 0.000 2.353 26 S HA -0.231 4.240 4.470 0.001 0.000 0.222 26 S C 2.028 176.667 174.600 0.065 0.000 1.035 26 S CA 1.516 59.801 58.200 0.142 0.000 1.025 26 S CB -0.863 62.321 63.200 -0.027 0.000 0.902 26 S HN 0.371 nan 8.310 nan 0.000 0.440 27 V N 2.578 122.574 119.914 0.136 0.000 2.222 27 V HA -0.269 3.851 4.120 0.001 0.000 0.252 27 V C 2.267 178.378 176.094 0.029 0.000 1.060 27 V CA 2.047 64.468 62.300 0.202 0.000 1.027 27 V CB -0.961 30.955 31.823 0.155 0.000 0.644 27 V HN 0.420 nan 8.190 nan 0.000 0.448 28 L N -0.220 120.966 121.223 -0.062 0.000 2.012 28 L HA -0.250 4.091 4.340 0.001 0.000 0.210 28 L C 2.638 179.432 176.870 -0.126 0.000 1.073 28 L CA 2.336 57.121 54.840 -0.091 0.000 0.748 28 L CB -0.738 41.324 42.059 0.004 0.000 0.891 28 L HN 0.398 nan 8.230 nan 0.000 0.431 29 K N 0.387 120.685 120.400 -0.170 0.000 2.097 29 K HA -0.191 4.130 4.320 0.001 0.000 0.206 29 K C 2.160 178.561 176.600 -0.331 0.000 1.049 29 K CA 1.848 57.859 56.287 -0.459 0.000 0.933 29 K CB -0.039 32.124 32.500 -0.561 0.000 0.717 29 K HN 0.373 nan 8.250 nan 0.000 0.442 30 S N -0.370 115.238 115.700 -0.154 0.000 2.528 30 S HA 0.020 4.490 4.470 0.001 0.000 0.219 30 S C 1.691 176.145 174.600 -0.244 0.000 0.985 30 S CA 0.288 58.473 58.200 -0.024 0.000 0.914 30 S CB 0.221 63.566 63.200 0.242 0.000 0.776 30 S HN 0.325 nan 8.310 nan 0.000 0.526 31 K N 0.788 120.819 120.400 -0.614 0.000 2.379 31 K HA 0.374 4.694 4.320 0.001 0.000 0.194 31 K C 2.038 178.192 176.600 -0.744 0.000 1.031 31 K CA 0.572 56.059 56.287 -1.333 0.000 1.037 31 K CB -0.285 31.278 32.500 -1.562 0.000 0.824 31 K HN 0.377 nan 8.250 nan 0.000 0.516 32 A N 2.447 125.000 122.820 -0.446 0.000 1.851 32 A HA -0.100 4.221 4.320 0.001 0.000 0.216 32 A C -0.717 176.702 177.584 -0.275 0.000 1.195 32 A CA 1.228 53.095 52.037 -0.283 0.000 0.622 32 A CB -1.574 17.286 19.000 -0.234 0.000 0.831 32 A HN 0.244 nan 8.150 nan 0.000 0.444 33 P HA -0.183 nan 4.420 nan 0.000 0.216 33 P C 1.434 178.626 177.300 -0.180 0.000 1.157 33 P CA 1.236 64.228 63.100 -0.181 0.000 0.880 33 P CB -0.075 31.540 31.700 -0.142 0.000 0.791 34 I N -0.797 119.636 120.570 -0.229 0.000 2.353 34 I HA -0.159 4.012 4.170 0.001 0.000 0.248 34 I C 2.085 178.066 176.117 -0.227 0.000 1.119 34 I CA 1.999 63.182 61.300 -0.194 0.000 1.417 34 I CB -1.267 36.636 38.000 -0.163 0.000 1.078 34 I HN 0.037 nan 8.210 nan 0.000 0.421 35 T N -3.277 111.080 114.554 -0.328 0.000 3.043 35 T HA 0.001 4.352 4.350 0.001 0.000 0.263 35 T C 1.905 176.440 174.700 -0.274 0.000 1.094 35 T CA 1.026 62.931 62.100 -0.325 0.000 1.127 35 T CB -0.662 67.853 68.868 -0.588 0.000 0.905 35 T HN 0.074 nan 8.240 nan 0.000 0.490 36 V N 1.910 121.682 119.914 -0.237 0.000 2.379 36 V HA 0.042 4.163 4.120 0.001 0.000 0.245 36 V C 3.258 179.297 176.094 -0.092 0.000 1.044 36 V CA 1.456 63.701 62.300 -0.092 0.000 1.036 36 V CB -1.300 30.491 31.823 -0.053 0.000 0.664 36 V HN 0.676 nan 8.190 nan 0.000 0.453 37 A N -0.750 121.996 122.820 -0.123 0.000 1.917 37 A HA -0.338 3.983 4.320 0.001 0.000 0.219 37 A C 2.245 179.737 177.584 -0.153 0.000 1.182 37 A CA 2.434 54.400 52.037 -0.119 0.000 0.633 37 A CB -0.502 18.431 19.000 -0.111 0.000 0.819 37 A HN 0.611 nan 8.150 nan 0.000 0.448 38 Q N -1.919 117.757 119.800 -0.206 0.000 2.008 38 Q HA -0.128 4.212 4.340 0.001 0.000 0.196 38 Q C 1.499 177.249 176.000 -0.417 0.000 0.973 38 Q CA 1.528 57.119 55.803 -0.353 0.000 0.826 38 Q CB -0.131 28.299 28.738 -0.513 0.000 0.894 38 Q HN 0.744 nan 8.270 nan 0.000 0.439 39 Y N 0.423 120.601 120.300 -0.204 0.000 2.490 39 Y HA 0.084 4.634 4.550 0.001 0.000 0.281 39 Y C 1.162 176.970 175.900 -0.153 0.000 1.174 39 Y CA 0.051 58.038 58.100 -0.188 0.000 1.295 39 Y CB 0.259 38.638 38.460 -0.136 0.000 1.062 39 Y HN 0.104 nan 8.280 nan 0.000 0.522 40 K N 0.258 120.644 120.400 -0.024 0.000 1.858 40 K HA -0.320 4.001 4.320 0.001 0.000 0.111 40 K C 0.585 177.219 176.600 0.057 0.000 1.078 40 K CA 2.267 58.549 56.287 -0.009 0.000 0.417 40 K CB -1.125 31.341 32.500 -0.057 0.000 0.587 40 K HN 0.166 nan 8.250 nan 0.000 0.950 41 D N -0.551 119.902 120.400 0.089 0.000 2.325 41 D HA 0.042 4.682 4.640 0.001 0.000 0.225 41 D C 0.787 177.206 176.300 0.197 0.000 1.096 41 D CA 0.349 54.403 54.000 0.090 0.000 0.844 41 D CB -0.043 40.816 40.800 0.099 0.000 0.925 41 D HN 0.316 nan 8.370 nan 0.000 0.513 42 H N -1.190 117.878 119.070 -0.004 0.000 2.548 42 H HA 0.052 4.608 4.556 0.001 0.000 0.265 42 H C -0.259 175.024 175.328 -0.074 0.000 0.969 42 H CA 0.121 56.156 56.048 -0.023 0.000 1.155 42 H CB -0.137 29.604 29.762 -0.035 0.000 1.394 42 H HN 0.131 nan 8.280 nan 0.000 0.570 43 Y N 1.263 121.484 120.300 -0.131 0.000 2.331 43 Y HA 0.370 4.920 4.550 0.001 0.000 0.338 43 Y C -1.005 174.676 175.900 -0.366 0.000 0.976 43 Y CA -1.304 56.638 58.100 -0.263 0.000 1.137 43 Y CB 0.177 38.525 38.460 -0.187 0.000 1.172 43 Y HN 0.056 nan 8.280 nan 0.000 0.478 44 H N 5.223 123.908 119.070 -0.642 0.000 2.538 44 H HA 0.504 5.061 4.556 0.001 0.000 0.353 44 H C -1.084 173.895 175.328 -0.581 0.000 1.109 44 H CA -0.734 55.033 56.048 -0.468 0.000 1.192 44 H CB 1.713 31.517 29.762 0.069 0.000 1.555 44 H HN 0.679 nan 8.280 nan 0.000 0.518 45 L N 3.828 124.799 121.223 -0.420 0.000 2.312 45 L HA 0.435 4.776 4.340 0.001 0.000 0.281 45 L C -0.438 176.328 176.870 -0.174 0.000 1.070 45 L CA -0.267 54.408 54.840 -0.274 0.000 0.805 45 L CB 0.755 42.676 42.059 -0.229 0.000 1.174 45 L HN 0.454 nan 8.230 nan 0.000 0.434 46 I N 1.844 122.331 120.570 -0.138 0.000 2.569 46 I HA 0.795 4.965 4.170 0.001 0.000 0.296 46 I C 0.260 176.306 176.117 -0.119 0.000 1.028 46 I CA -0.410 60.798 61.300 -0.152 0.000 1.082 46 I CB 2.080 40.016 38.000 -0.106 0.000 1.264 46 I HN 0.670 nan 8.210 nan 0.000 0.429 47 G N 4.960 113.690 108.800 -0.116 0.000 2.506 47 G HA2 0.494 4.455 3.960 0.001 0.000 0.292 47 G HA3 0.494 4.455 3.960 0.001 0.000 0.292 47 G C -3.302 171.574 174.900 -0.040 0.000 1.425 47 G CA -0.816 44.239 45.100 -0.076 0.000 0.788 47 G HN 0.271 nan 8.290 nan 0.000 0.490 48 P HA 0.325 nan 4.420 nan 0.000 0.280 48 P C -0.238 177.031 177.300 -0.051 0.000 1.244 48 P CA -0.377 62.726 63.100 0.006 0.000 0.784 48 P CB 1.802 33.510 31.700 0.014 0.000 0.913 49 L N 3.596 124.782 121.223 -0.062 0.000 2.455 49 L HA 0.208 4.548 4.340 0.001 0.000 0.272 49 L C 0.301 177.115 176.870 -0.093 0.000 1.174 49 L CA 0.318 55.077 54.840 -0.134 0.000 0.869 49 L CB -0.370 41.557 42.059 -0.220 0.000 1.130 49 L HN 0.299 nan 8.230 nan 0.000 0.474 50 N N 3.986 122.647 118.700 -0.065 0.000 2.546 50 N HA 0.175 4.916 4.740 0.001 0.000 0.238 50 N C 0.259 175.803 175.510 0.057 0.000 0.984 50 N CA -0.198 52.851 53.050 -0.002 0.000 0.935 50 N CB 0.793 39.293 38.487 0.022 0.000 1.122 50 N HN 0.635 nan 8.380 nan 0.000 0.510 51 K N 1.723 122.138 120.400 0.026 0.000 2.519 51 K HA -0.014 4.307 4.320 0.001 0.000 0.196 51 K C 1.097 177.825 176.600 0.213 0.000 1.041 51 K CA 0.897 57.244 56.287 0.100 0.000 0.954 51 K CB 0.229 32.746 32.500 0.028 0.000 0.774 51 K HN 0.564 nan 8.250 nan 0.000 0.480 52 A N 0.466 123.370 122.820 0.141 0.000 2.095 52 A HA -0.033 4.287 4.320 0.001 0.000 0.212 52 A C 1.959 179.591 177.584 0.079 0.000 1.162 52 A CA 1.270 53.361 52.037 0.091 0.000 0.753 52 A CB 0.078 19.106 19.000 0.047 0.000 0.840 52 A HN 0.347 nan 8.150 nan 0.000 0.468 53 T N -4.510 110.112 114.554 0.114 0.000 2.966 53 T HA 0.004 4.355 4.350 0.001 0.000 0.254 53 T C 1.671 176.409 174.700 0.063 0.000 0.961 53 T CA 0.682 62.820 62.100 0.063 0.000 0.915 53 T CB -0.822 68.079 68.868 0.055 0.000 1.186 53 T HN 0.542 nan 8.240 nan 0.000 0.505 54 Y N 2.068 122.360 120.300 -0.015 0.000 2.241 54 Y HA -0.006 4.544 4.550 0.001 0.000 0.286 54 Y C 2.234 178.132 175.900 -0.004 0.000 1.166 54 Y CA 1.271 59.356 58.100 -0.025 0.000 1.203 54 Y CB -0.659 37.774 38.460 -0.044 0.000 0.977 54 Y HN 0.185 nan 8.280 nan 0.000 0.529 55 Q N 0.365 119.708 119.800 -0.762 0.000 2.437 55 Q HA -0.102 4.239 4.340 0.001 0.000 0.210 55 Q C 0.885 176.736 176.000 -0.248 0.000 0.972 55 Q CA 0.914 56.335 55.803 -0.636 0.000 0.903 55 Q CB -0.155 28.236 28.738 -0.578 0.000 0.967 55 Q HN 0.630 nan 8.270 nan 0.000 0.486 56 N N 0.102 118.722 118.700 -0.134 0.000 2.356 56 N HA -0.013 4.728 4.740 0.001 0.000 0.178 56 N C 0.809 176.328 175.510 0.015 0.000 1.075 56 N CA 0.559 53.580 53.050 -0.050 0.000 0.889 56 N CB 0.523 38.995 38.487 -0.025 0.000 0.999 56 N HN 0.303 nan 8.380 nan 0.000 0.464 57 E N -0.245 119.990 120.200 0.057 0.000 2.514 57 E HA 0.187 4.538 4.350 0.001 0.000 0.215 57 E C -0.418 176.315 176.600 0.221 0.000 0.946 57 E CA 0.143 56.658 56.400 0.193 0.000 1.038 57 E CB 1.639 31.524 29.700 0.308 0.000 1.069 57 E HN -0.077 nan 8.360 nan 0.000 0.503 58 V N 2.444 122.413 119.914 0.092 0.000 2.407 58 V HA 0.121 4.242 4.120 0.001 0.000 0.291 58 V C -0.594 175.519 176.094 0.032 0.000 1.018 58 V CA -0.979 61.373 62.300 0.086 0.000 0.842 58 V CB 1.716 33.591 31.823 0.088 0.000 0.996 58 V HN -0.024 nan 8.190 nan 0.000 0.426 59 D N 4.855 125.275 120.400 0.033 0.000 2.348 59 D HA 0.174 4.814 4.640 0.001 0.000 0.259 59 D C 0.235 176.550 176.300 0.025 0.000 1.296 59 D CA 0.181 54.188 54.000 0.013 0.000 0.931 59 D CB 0.273 41.074 40.800 0.001 0.000 1.067 59 D HN 0.436 nan 8.370 nan 0.000 0.503 60 I N 4.145 124.739 120.570 0.041 0.000 2.648 60 I HA 0.042 4.213 4.170 0.001 0.000 0.284 60 I C 0.391 176.566 176.117 0.097 0.000 1.153 60 I CA -0.022 61.330 61.300 0.086 0.000 1.426 60 I CB 0.507 38.571 38.000 0.106 0.000 1.381 60 I HN 0.231 nan 8.210 nan 0.000 0.571 61 L N 4.980 126.301 121.223 0.163 0.000 2.341 61 L HA 0.405 4.745 4.340 0.001 0.000 0.267 61 L C -0.621 176.422 176.870 0.287 0.000 1.009 61 L CA -0.904 54.058 54.840 0.203 0.000 0.819 61 L CB 1.945 44.147 42.059 0.239 0.000 1.323 61 L HN 0.446 nan 8.230 nan 0.000 0.425 62 D N 1.388 121.898 120.400 0.183 0.000 2.365 62 D HA 0.106 4.747 4.640 0.001 0.000 0.237 62 D C 0.561 176.938 176.300 0.128 0.000 1.190 62 D CA -0.331 53.721 54.000 0.086 0.000 0.867 62 D CB 0.651 41.438 40.800 -0.021 0.000 1.050 62 D HN 0.418 nan 8.370 nan 0.000 0.491 63 W N 3.637 125.014 121.300 0.128 0.000 3.256 63 W HA 0.186 4.846 4.660 0.001 0.000 0.269 63 W C 0.412 177.019 176.519 0.147 0.000 1.310 63 W CA -0.347 57.055 57.345 0.096 0.000 1.673 63 W CB -0.229 29.214 29.460 -0.028 0.000 1.115 63 W HN 0.289 nan 8.180 nan 0.000 0.686 64 K N 1.438 121.589 120.400 -0.415 0.000 2.284 64 K HA 0.043 4.364 4.320 0.001 0.000 0.198 64 K C 0.798 177.321 176.600 -0.128 0.000 1.048 64 K CA 0.317 56.354 56.287 -0.417 0.000 0.987 64 K CB 0.100 32.191 32.500 -0.682 0.000 0.800 64 K HN -0.076 nan 8.250 nan 0.000 0.486 65 K N 1.775 122.132 120.400 -0.072 0.000 2.484 65 K HA -0.021 4.300 4.320 0.001 0.000 0.280 65 K C -2.145 174.487 176.600 0.054 0.000 1.013 65 K CA -0.963 55.317 56.287 -0.011 0.000 1.029 65 K CB 0.251 32.752 32.500 0.001 0.000 0.902 65 K HN -0.166 nan 8.250 nan 0.000 0.481 66 P HA -0.183 nan 4.420 nan 0.000 0.218 66 P C 0.387 177.747 177.300 0.099 0.000 1.146 66 P CA 1.279 64.422 63.100 0.073 0.000 0.813 66 P CB 0.254 31.984 31.700 0.049 0.000 0.778 67 E N -0.640 119.605 120.200 0.074 0.000 2.274 67 E HA -0.046 4.305 4.350 0.001 0.000 0.194 67 E C 2.048 178.690 176.600 0.070 0.000 0.996 67 E CA 0.924 57.364 56.400 0.066 0.000 0.840 67 E CB -0.827 28.897 29.700 0.039 0.000 0.772 67 E HN 0.157 nan 8.360 nan 0.000 0.491 68 A N 0.010 122.887 122.820 0.095 0.000 2.070 68 A HA -0.056 4.265 4.320 0.001 0.000 0.220 68 A C 0.209 177.604 177.584 -0.315 0.000 1.159 68 A CA 0.927 52.946 52.037 -0.031 0.000 0.656 68 A CB -0.166 18.868 19.000 0.057 0.000 0.800 68 A HN 0.181 nan 8.150 nan 0.000 0.453 69 F N -0.869 119.121 119.950 0.067 0.000 2.569 69 F HA 0.389 4.917 4.527 0.001 0.000 0.312 69 F C 0.723 176.557 175.800 0.056 0.000 1.109 69 F CA -0.510 57.531 58.000 0.068 0.000 0.919 69 F CB 1.629 40.643 39.000 0.023 0.000 1.211 69 F HN 0.047 nan 8.300 nan 0.000 0.446 70 S N 0.659 116.495 115.700 0.228 0.000 2.569 70 S HA -0.008 4.462 4.470 0.001 0.000 0.274 70 S C 0.693 175.393 174.600 0.168 0.000 1.353 70 S CA -0.378 57.924 58.200 0.170 0.000 1.023 70 S CB 0.708 64.007 63.200 0.164 0.000 0.876 70 S HN 0.648 nan 8.310 nan 0.000 0.540 71 D N 1.172 121.648 120.400 0.127 0.000 2.144 71 D HA -0.134 4.507 4.640 0.001 0.000 0.199 71 D C 2.058 178.424 176.300 0.111 0.000 0.984 71 D CA 1.809 55.873 54.000 0.106 0.000 0.834 71 D CB -0.418 40.433 40.800 0.085 0.000 0.955 71 D HN 0.973 nan 8.370 nan 0.000 0.465 72 E N -0.176 120.105 120.200 0.135 0.000 2.265 72 E HA -0.141 4.210 4.350 0.001 0.000 0.196 72 E C 1.408 178.124 176.600 0.193 0.000 0.996 72 E CA 0.763 57.267 56.400 0.172 0.000 0.832 72 E CB -0.040 29.797 29.700 0.228 0.000 0.756 72 E HN 0.115 nan 8.360 nan 0.000 0.491 73 M N 0.320 120.001 119.600 0.134 0.000 2.428 73 M HA 0.192 4.673 4.480 0.001 0.000 0.239 73 M C 1.339 177.676 176.300 0.061 0.000 1.121 73 M CA 0.051 55.419 55.300 0.113 0.000 1.019 73 M CB 0.107 32.828 32.600 0.202 0.000 1.485 73 M HN 0.039 nan 8.290 nan 0.000 0.484 74 R N 1.135 121.642 120.500 0.010 0.000 2.159 74 R HA -0.181 4.159 4.340 0.001 0.000 0.249 74 R C -0.698 175.406 176.300 -0.327 0.000 1.136 74 R CA 1.868 57.857 56.100 -0.186 0.000 0.951 74 R CB -2.392 27.882 30.300 -0.043 0.000 0.876 74 R HN 0.229 nan 8.270 nan 0.000 0.440 75 P HA -0.142 nan 4.420 nan 0.000 0.216 75 P C 1.599 178.802 177.300 -0.162 0.000 1.157 75 P CA 1.234 64.314 63.100 -0.032 0.000 0.880 75 P CB -0.134 31.578 31.700 0.021 0.000 0.791 76 V N -0.446 119.347 119.914 -0.203 0.000 2.469 76 V HA -0.281 3.840 4.120 0.001 0.000 0.251 76 V C 2.674 178.488 176.094 -0.467 0.000 1.064 76 V CA 1.937 64.093 62.300 -0.239 0.000 1.066 76 V CB -1.206 30.598 31.823 -0.033 0.000 0.667 76 V HN 0.220 nan 8.190 nan 0.000 0.461 77 Q N -0.502 118.768 119.800 -0.883 0.000 2.046 77 Q HA -0.215 4.125 4.340 0.001 0.000 0.200 77 Q C 2.234 178.018 176.000 -0.359 0.000 0.975 77 Q CA 1.975 57.194 55.803 -0.973 0.000 0.836 77 Q CB -0.125 27.855 28.738 -1.262 0.000 0.896 77 Q HN 0.804 nan 8.270 nan 0.000 0.428 78 H N -0.535 118.422 119.070 -0.189 0.000 2.387 78 H HA -0.066 4.491 4.556 0.001 0.000 0.299 78 H C 2.008 177.305 175.328 -0.052 0.000 1.090 78 H CA 0.869 56.880 56.048 -0.061 0.000 1.332 78 H CB 0.018 29.745 29.762 -0.057 0.000 1.386 78 H HN 0.412 nan 8.280 nan 0.000 0.516 79 A N 1.099 123.898 122.820 -0.036 0.000 1.865 79 A HA -0.179 4.142 4.320 0.001 0.000 0.217 79 A C 2.307 179.844 177.584 -0.078 0.000 1.191 79 A CA 1.514 53.478 52.037 -0.122 0.000 0.623 79 A CB -0.842 17.942 19.000 -0.361 0.000 0.826 79 A HN 0.313 nan 8.150 nan 0.000 0.444 80 L N -0.823 120.332 121.223 -0.113 0.000 2.046 80 L HA -0.262 4.079 4.340 0.001 0.000 0.208 80 L C 2.943 179.828 176.870 0.024 0.000 1.077 80 L CA 1.572 56.250 54.840 -0.270 0.000 0.747 80 L CB -0.684 40.994 42.059 -0.635 0.000 0.896 80 L HN 0.492 nan 8.230 nan 0.000 0.432 81 Q N -0.438 119.513 119.800 0.253 0.000 2.029 81 Q HA -0.260 4.081 4.340 0.001 0.000 0.209 81 Q C 2.204 178.365 176.000 0.268 0.000 0.999 81 Q CA 2.456 58.511 55.803 0.419 0.000 0.857 81 Q CB -0.593 28.351 28.738 0.345 0.000 0.926 81 Q HN 0.484 nan 8.270 nan 0.000 0.415 82 T N 1.217 115.874 114.554 0.170 0.000 2.699 82 T HA -0.174 4.176 4.350 0.001 0.000 0.268 82 T C 1.828 176.593 174.700 0.108 0.000 1.036 82 T CA 1.332 63.513 62.100 0.136 0.000 1.147 82 T CB -0.120 68.815 68.868 0.111 0.000 0.862 82 T HN 0.217 nan 8.240 nan 0.000 0.446 83 M N 0.727 120.344 119.600 0.028 0.000 2.159 83 M HA -0.081 4.400 4.480 0.001 0.000 0.263 83 M C 2.370 178.712 176.300 0.070 0.000 1.063 83 M CA 1.439 56.675 55.300 -0.107 0.000 1.110 83 M CB -0.848 31.636 32.600 -0.194 0.000 1.374 83 M HN 0.374 nan 8.290 nan 0.000 0.411 84 E N 0.402 120.760 120.200 0.263 0.000 2.072 84 E HA -0.117 4.234 4.350 0.001 0.000 0.191 84 E C 1.888 178.626 176.600 0.230 0.000 0.985 84 E CA 1.689 58.285 56.400 0.327 0.000 0.801 84 E CB 0.167 30.138 29.700 0.452 0.000 0.750 84 E HN 0.327 nan 8.360 nan 0.000 0.452 85 S N 0.943 116.767 115.700 0.207 0.000 2.380 85 S HA -0.225 4.245 4.470 0.001 0.000 0.229 85 S C 1.738 176.441 174.600 0.171 0.000 1.050 85 S CA 1.697 60.002 58.200 0.175 0.000 1.100 85 S CB -0.440 62.858 63.200 0.163 0.000 0.984 85 S HN 0.343 nan 8.310 nan 0.000 0.434 86 R N 0.971 121.583 120.500 0.186 0.000 2.339 86 R HA 0.129 4.470 4.340 0.001 0.000 0.199 86 R C 1.379 177.793 176.300 0.190 0.000 1.018 86 R CA 0.733 56.980 56.100 0.245 0.000 1.036 86 R CB -0.739 29.819 30.300 0.430 0.000 0.899 86 R HN 0.604 nan 8.270 nan 0.000 0.473 87 G N 0.577 109.437 108.800 0.101 0.000 2.131 87 G HA2 -0.225 3.736 3.960 0.001 0.000 0.201 87 G HA3 -0.225 3.736 3.960 0.001 0.000 0.201 87 G C -0.065 174.678 174.900 -0.261 0.000 1.000 87 G CA -0.102 44.990 45.100 -0.014 0.000 0.680 87 G HN 0.134 nan 8.290 nan 0.000 0.514 88 V N 2.446 122.271 119.914 -0.148 0.000 2.432 88 V HA 0.580 4.701 4.120 0.001 0.000 0.275 88 V C 0.236 176.396 176.094 0.111 0.000 1.043 88 V CA -0.907 61.317 62.300 -0.128 0.000 0.925 88 V CB 1.257 32.964 31.823 -0.195 0.000 0.985 88 V HN 0.346 nan 8.190 nan 0.000 0.466 89 H N 5.192 124.365 119.070 0.171 0.000 2.472 89 H HA 0.772 5.329 4.556 0.001 0.000 0.338 89 H C -0.443 174.956 175.328 0.117 0.000 1.133 89 H CA -0.930 55.138 56.048 0.033 0.000 1.216 89 H CB 1.655 31.398 29.762 -0.031 0.000 1.497 89 H HN 0.640 nan 8.280 nan 0.000 0.500 90 F N -1.495 118.460 119.950 0.009 0.000 2.741 90 F HA 0.533 5.061 4.527 0.001 0.000 0.311 90 F C -1.718 173.962 175.800 -0.200 0.000 1.149 90 F CA -1.201 56.673 58.000 -0.211 0.000 0.930 90 F CB 0.580 39.272 39.000 -0.514 0.000 1.312 90 F HN 0.135 nan 8.300 nan 0.000 0.450 91 V N 2.307 122.208 119.914 -0.022 0.000 2.370 91 V HA 0.313 4.433 4.120 0.001 0.000 0.283 91 V C -1.114 175.039 176.094 0.099 0.000 1.023 91 V CA -0.645 61.665 62.300 0.017 0.000 0.857 91 V CB 1.106 32.914 31.823 -0.025 0.000 0.985 91 V HN 0.755 nan 8.190 nan 0.000 0.443 92 Y N 3.594 123.939 120.300 0.074 0.000 2.310 92 Y HA 0.790 5.341 4.550 0.001 0.000 0.326 92 Y C 0.503 176.465 175.900 0.103 0.000 1.151 92 Y CA 0.312 58.456 58.100 0.073 0.000 1.195 92 Y CB 1.629 40.200 38.460 0.185 0.000 1.210 92 Y HN 0.796 nan 8.280 nan 0.000 0.483 93 G N 4.598 113.166 108.800 -0.386 0.000 2.451 93 G HA2 0.320 4.281 3.960 0.001 0.000 0.292 93 G HA3 0.320 4.281 3.960 0.001 0.000 0.292 93 G C -1.906 172.830 174.900 -0.274 0.000 1.427 93 G CA -1.304 43.664 45.100 -0.220 0.000 0.792 93 G HN 0.605 nan 8.290 nan 0.000 0.498 94 R N -0.609 119.815 120.500 -0.126 0.000 2.349 94 R HA 0.343 4.684 4.340 0.001 0.000 0.299 94 R C -0.917 175.416 176.300 0.055 0.000 1.027 94 R CA -0.674 55.385 56.100 -0.069 0.000 0.958 94 R CB 1.295 31.562 30.300 -0.054 0.000 1.047 94 R HN 0.523 nan 8.270 nan 0.000 0.468 95 W N 6.216 127.428 121.300 -0.146 0.000 2.335 95 W HA 0.169 4.829 4.660 0.001 0.000 0.306 95 W C -0.647 175.810 176.519 -0.103 0.000 1.216 95 W CA -1.045 56.228 57.345 -0.120 0.000 1.237 95 W CB 0.387 29.760 29.460 -0.145 0.000 1.243 95 W HN 0.520 nan 8.180 nan 0.000 0.493 96 L N 9.336 130.609 121.223 0.083 0.000 2.511 96 L HA 0.108 4.449 4.340 0.001 0.000 0.239 96 L C 0.079 176.785 176.870 -0.272 0.000 1.400 96 L CA 0.174 54.963 54.840 -0.084 0.000 1.226 96 L CB -1.297 40.754 42.059 -0.013 0.000 1.475 96 L HN 0.258 nan 8.230 nan 0.000 0.428 97 I N -2.193 118.104 120.570 -0.456 0.000 3.133 97 I HA 0.318 4.489 4.170 0.001 0.000 0.311 97 I C 0.477 176.401 176.117 -0.321 0.000 1.072 97 I CA -1.049 59.955 61.300 -0.492 0.000 1.015 97 I CB 1.176 38.687 38.000 -0.814 0.000 1.233 97 I HN 0.082 nan 8.210 nan 0.000 0.473 98 E N 1.097 121.131 120.200 -0.276 0.000 2.417 98 E HA 0.262 4.613 4.350 0.001 0.000 0.261 98 E C 0.770 177.240 176.600 -0.218 0.000 1.000 98 E CA 1.120 57.398 56.400 -0.203 0.000 0.919 98 E CB 0.241 29.841 29.700 -0.168 0.000 0.955 98 E HN 0.846 nan 8.360 nan 0.000 0.455 99 G N 3.586 112.287 108.800 -0.166 0.000 2.493 99 G HA2 -0.300 3.660 3.960 0.001 0.000 0.206 99 G HA3 -0.300 3.660 3.960 0.001 0.000 0.206 99 G C 0.579 175.408 174.900 -0.119 0.000 1.109 99 G CA 0.058 45.071 45.100 -0.146 0.000 0.689 99 G HN 1.624 nan 8.290 nan 0.000 0.516 100 A N 0.405 123.136 122.820 -0.148 0.000 2.560 100 A HA 0.079 4.400 4.320 0.001 0.000 0.299 100 A C -0.744 176.801 177.584 -0.065 0.000 1.484 100 A CA 1.607 53.580 52.037 -0.106 0.000 0.749 100 A CB -1.635 17.312 19.000 -0.089 0.000 1.072 100 A HN 1.355 nan 8.150 nan 0.000 0.426 101 P HA 0.257 nan 4.420 nan 0.000 0.271 101 P C -0.083 177.165 177.300 -0.088 0.000 1.218 101 P CA 0.036 63.134 63.100 -0.005 0.000 0.780 101 P CB 0.690 32.460 31.700 0.118 0.000 0.901 102 K N 0.977 121.244 120.400 -0.222 0.000 2.270 102 K HA 0.416 4.737 4.320 0.001 0.000 0.276 102 K C -0.410 176.016 176.600 -0.292 0.000 1.023 102 K CA -0.504 55.587 56.287 -0.326 0.000 0.955 102 K CB 0.727 32.978 32.500 -0.415 0.000 0.975 102 K HN 0.220 nan 8.250 nan 0.000 0.471 103 V N 4.582 124.303 119.914 -0.322 0.000 2.709 103 V HA 0.395 4.515 4.120 0.001 0.000 0.308 103 V C -0.850 175.070 176.094 -0.290 0.000 1.062 103 V CA -0.795 61.352 62.300 -0.256 0.000 0.901 103 V CB 1.847 33.537 31.823 -0.222 0.000 1.003 103 V HN 0.581 nan 8.190 nan 0.000 0.425 104 I N 6.066 126.468 120.570 -0.280 0.000 2.382 104 I HA 0.447 4.618 4.170 0.001 0.000 0.285 104 I C -0.727 175.075 176.117 -0.525 0.000 1.007 104 I CA -0.271 60.769 61.300 -0.433 0.000 1.142 104 I CB 1.366 38.964 38.000 -0.669 0.000 1.289 104 I HN 0.295 nan 8.210 nan 0.000 0.453 105 L N 6.920 127.879 121.223 -0.440 0.000 2.313 105 L HA 0.449 4.790 4.340 0.001 0.000 0.273 105 L C -0.672 176.018 176.870 -0.301 0.000 1.028 105 L CA -0.535 54.108 54.840 -0.329 0.000 0.871 105 L CB 0.406 42.329 42.059 -0.227 0.000 1.242 105 L HN 0.396 nan 8.230 nan 0.000 0.434 106 F N 1.258 121.130 119.950 -0.130 0.000 2.495 106 F HA 0.024 4.551 4.527 0.001 0.000 0.365 106 F C 1.085 176.859 175.800 -0.044 0.000 1.090 106 F CA -0.167 57.788 58.000 -0.076 0.000 1.235 106 F CB 0.315 39.236 39.000 -0.131 0.000 1.119 106 F HN 0.399 nan 8.300 nan 0.000 0.562 107 D N 4.582 125.092 120.400 0.183 0.000 2.383 107 D HA 0.073 4.713 4.640 0.001 0.000 0.245 107 D C 1.057 177.426 176.300 0.114 0.000 1.263 107 D CA 0.227 54.283 54.000 0.092 0.000 0.936 107 D CB 0.340 41.195 40.800 0.092 0.000 1.053 107 D HN 0.532 nan 8.370 nan 0.000 0.507 108 L N 2.460 123.740 121.223 0.095 0.000 2.450 108 L HA -0.130 4.211 4.340 0.001 0.000 0.224 108 L C 1.241 178.170 176.870 0.099 0.000 1.149 108 L CA 0.648 55.554 54.840 0.110 0.000 0.816 108 L CB -0.042 42.080 42.059 0.104 0.000 0.932 108 L HN 0.346 nan 8.230 nan 0.000 0.449 109 D N -0.548 119.898 120.400 0.077 0.000 2.149 109 D HA -0.113 4.528 4.640 0.001 0.000 0.201 109 D C 2.167 178.505 176.300 0.064 0.000 0.972 109 D CA 1.477 55.517 54.000 0.068 0.000 0.835 109 D CB 0.015 40.850 40.800 0.058 0.000 0.966 109 D HN 0.293 nan 8.370 nan 0.000 0.476 110 S N -0.452 115.282 115.700 0.057 0.000 2.727 110 S HA 0.062 4.532 4.470 0.001 0.000 0.226 110 S C 1.229 175.821 174.600 -0.014 0.000 0.963 110 S CA -0.031 58.159 58.200 -0.016 0.000 0.950 110 S CB 0.332 63.445 63.200 -0.146 0.000 0.779 110 S HN 0.037 nan 8.310 nan 0.000 0.532 111 V N 0.154 120.099 119.914 0.051 0.000 3.443 111 V HA 0.318 4.438 4.120 0.001 0.000 0.277 111 V C 1.770 177.904 176.094 0.068 0.000 1.648 111 V CA -0.047 62.292 62.300 0.065 0.000 1.058 111 V CB 0.170 32.065 31.823 0.119 0.000 0.877 111 V HN 0.473 nan 8.190 nan 0.000 0.417 112 R N 0.923 121.469 120.500 0.076 0.000 2.293 112 R HA -0.078 4.262 4.340 0.001 0.000 0.219 112 R C 1.904 178.208 176.300 0.007 0.000 1.091 112 R CA 1.719 57.856 56.100 0.062 0.000 1.004 112 R CB -0.225 30.115 30.300 0.067 0.000 0.865 112 R HN 0.533 nan 8.270 nan 0.000 0.469 113 G N -0.178 108.624 108.800 0.004 0.000 2.424 113 G HA2 -0.253 3.708 3.960 0.001 0.000 0.214 113 G HA3 -0.253 3.708 3.960 0.001 0.000 0.214 113 G C 0.587 175.362 174.900 -0.208 0.000 1.202 113 G CA 0.305 45.360 45.100 -0.076 0.000 0.793 113 G HN 0.376 nan 8.290 nan 0.000 0.534 114 Y N 1.813 121.794 120.300 -0.531 0.000 2.797 114 Y HA -0.038 4.513 4.550 0.001 0.000 0.307 114 Y C 2.861 178.217 175.900 -0.907 0.000 1.168 114 Y CA 0.427 57.942 58.100 -0.975 0.000 1.388 114 Y CB -0.599 36.748 38.460 -1.854 0.000 0.985 114 Y HN 0.277 nan 8.280 nan 0.000 0.545 115 S N 0.592 116.118 115.700 -0.289 0.000 2.353 115 S HA -0.245 4.226 4.470 0.001 0.000 0.222 115 S C 2.117 176.682 174.600 -0.059 0.000 1.035 115 S CA 1.967 60.122 58.200 -0.075 0.000 1.025 115 S CB -0.169 63.034 63.200 0.005 0.000 0.902 115 S HN 0.517 nan 8.310 nan 0.000 0.440 116 N N 1.288 119.925 118.700 -0.104 0.000 2.142 116 N HA -0.064 4.676 4.740 0.001 0.000 0.186 116 N C 1.813 177.278 175.510 -0.075 0.000 1.023 116 N CA 1.370 54.377 53.050 -0.072 0.000 0.852 116 N CB -0.748 37.691 38.487 -0.081 0.000 0.998 116 N HN 0.708 nan 8.380 nan 0.000 0.424 117 E N -0.380 119.726 120.200 -0.158 0.000 2.097 117 E HA -0.198 4.153 4.350 0.001 0.000 0.196 117 E C 1.283 177.881 176.600 -0.004 0.000 1.000 117 E CA 1.096 57.420 56.400 -0.126 0.000 0.804 117 E CB -0.051 29.504 29.700 -0.241 0.000 0.740 117 E HN 0.354 nan 8.360 nan 0.000 0.454 118 W N 0.889 122.051 121.300 -0.230 0.000 2.407 118 W HA 0.017 4.678 4.660 0.001 0.000 0.305 118 W C 2.262 178.622 176.519 -0.265 0.000 1.196 118 W CA 0.559 57.593 57.345 -0.518 0.000 1.311 118 W CB -0.824 28.140 29.460 -0.826 0.000 1.135 118 W HN 0.079 nan 8.180 nan 0.000 0.514 119 K N -0.285 120.191 120.400 0.128 0.000 2.127 119 K HA -0.175 4.146 4.320 0.001 0.000 0.208 119 K C 2.253 178.948 176.600 0.160 0.000 1.047 119 K CA 1.721 58.093 56.287 0.142 0.000 0.927 119 K CB -0.811 31.742 32.500 0.088 0.000 0.716 119 K HN 0.176 nan 8.250 nan 0.000 0.450 120 G N 1.114 109.987 108.800 0.121 0.000 2.434 120 G HA2 -0.316 3.645 3.960 0.001 0.000 0.214 120 G HA3 -0.316 3.645 3.960 0.001 0.000 0.214 120 G C 1.147 176.176 174.900 0.215 0.000 1.202 120 G CA 1.112 46.303 45.100 0.152 0.000 0.788 120 G HN 0.329 nan 8.290 nan 0.000 0.539 121 D N -0.183 120.320 120.400 0.170 0.000 2.158 121 D HA -0.113 4.527 4.640 0.001 0.000 0.197 121 D C 2.322 178.763 176.300 0.234 0.000 0.995 121 D CA 0.590 54.702 54.000 0.187 0.000 0.846 121 D CB -0.223 40.696 40.800 0.198 0.000 0.941 121 D HN 0.214 nan 8.370 nan 0.000 0.456 122 L N 0.075 121.478 121.223 0.300 0.000 1.994 122 L HA -0.146 4.195 4.340 0.001 0.000 0.208 122 L C 2.282 179.281 176.870 0.214 0.000 1.071 122 L CA 1.561 56.572 54.840 0.284 0.000 0.745 122 L CB -0.762 41.496 42.059 0.331 0.000 0.892 122 L HN 0.493 nan 8.230 nan 0.000 0.431 123 W N 1.102 122.448 121.300 0.076 0.000 2.305 123 W HA -0.256 4.404 4.660 0.001 0.000 0.308 123 W C 1.832 178.372 176.519 0.034 0.000 1.226 123 W CA 1.772 59.147 57.345 0.049 0.000 1.253 123 W CB -0.204 29.283 29.460 0.044 0.000 1.146 123 W HN 0.378 nan 8.180 nan 0.000 0.507 124 S N -0.095 115.608 115.700 0.005 0.000 2.618 124 S HA 0.256 4.726 4.470 0.001 0.000 0.242 124 S C 0.880 175.424 174.600 -0.093 0.000 0.972 124 S CA -0.259 57.867 58.200 -0.123 0.000 1.004 124 S CB -0.279 62.950 63.200 0.049 0.000 0.778 124 S HN 0.352 nan 8.310 nan 0.000 0.459 125 L N -0.670 120.494 121.223 -0.099 0.000 3.316 125 L HA 0.302 4.643 4.340 0.001 0.000 0.300 125 L C 0.466 177.258 176.870 -0.130 0.000 1.128 125 L CA 0.100 54.885 54.840 -0.092 0.000 1.111 125 L CB 0.987 43.019 42.059 -0.045 0.000 1.687 125 L HN 0.298 nan 8.230 nan 0.000 0.594 126 V N -1.772 118.056 119.914 -0.144 0.000 3.432 126 V HA 0.351 4.472 4.120 0.001 0.000 0.290 126 V C 1.170 177.149 176.094 -0.192 0.000 1.591 126 V CA 0.318 62.527 62.300 -0.151 0.000 1.069 126 V CB 0.721 32.475 31.823 -0.115 0.000 0.892 126 V HN 0.356 nan 8.190 nan 0.000 0.436 127 G N 2.099 110.707 108.800 -0.320 0.000 2.249 127 G HA2 -0.275 3.686 3.960 0.001 0.000 0.273 127 G HA3 -0.275 3.686 3.960 0.001 0.000 0.273 127 G C -0.011 174.838 174.900 -0.086 0.000 1.036 127 G CA 0.583 45.336 45.100 -0.578 0.000 0.824 127 G HN 0.602 nan 8.290 nan 0.000 0.504 128 I N 1.234 121.888 120.570 0.140 0.000 2.291 128 I HA 0.242 4.413 4.170 0.001 0.000 0.292 128 I C -1.676 174.706 176.117 0.443 0.000 1.064 128 I CA -2.252 59.191 61.300 0.238 0.000 1.269 128 I CB 0.963 39.031 38.000 0.114 0.000 1.418 128 I HN -0.097 nan 8.210 nan 0.000 0.485 129 P HA 0.073 nan 4.420 nan 0.000 0.270 129 P C -0.701 176.695 177.300 0.159 0.000 1.227 129 P CA -0.224 63.044 63.100 0.281 0.000 0.788 129 P CB 0.571 32.430 31.700 0.265 0.000 0.926 130 S N -0.721 114.982 115.700 0.005 0.000 2.479 130 S HA 0.379 4.850 4.470 0.001 0.000 0.169 130 S C -2.890 171.639 174.600 -0.119 0.000 1.181 130 S CA -1.248 56.947 58.200 -0.009 0.000 1.169 130 S CB -0.265 62.984 63.200 0.082 0.000 1.384 130 S HN 0.164 nan 8.310 nan 0.000 0.412 131 P HA 0.137 nan 4.420 nan 0.000 0.268 131 P C 0.731 177.933 177.300 -0.164 0.000 1.208 131 P CA -0.282 62.675 63.100 -0.238 0.000 0.777 131 P CB 0.494 31.987 31.700 -0.346 0.000 0.875 132 E N 0.601 120.716 120.200 -0.141 0.000 2.474 132 E HA -0.079 4.272 4.350 0.001 0.000 0.194 132 E C 0.541 177.014 176.600 -0.212 0.000 1.041 132 E CA 0.443 56.775 56.400 -0.113 0.000 0.874 132 E CB -0.593 29.070 29.700 -0.062 0.000 0.914 132 E HN 0.559 nan 8.360 nan 0.000 0.498 133 N N 0.774 119.305 118.700 -0.282 0.000 2.336 133 N HA -0.058 4.682 4.740 0.001 0.000 0.189 133 N C -0.041 175.017 175.510 -0.752 0.000 1.113 133 N CA -0.091 52.668 53.050 -0.486 0.000 0.858 133 N CB 0.354 38.698 38.487 -0.239 0.000 0.970 133 N HN -0.109 nan 8.380 nan 0.000 0.471 134 D N 0.058 120.172 120.400 -0.478 0.000 2.443 134 D HA 0.112 4.753 4.640 0.001 0.000 0.221 134 D C -0.185 175.996 176.300 -0.198 0.000 1.097 134 D CA -0.755 53.091 54.000 -0.256 0.000 0.865 134 D CB 0.324 41.161 40.800 0.062 0.000 1.034 134 D HN 0.069 nan 8.370 nan 0.000 0.511 135 F N 1.778 121.812 119.950 0.140 0.000 2.293 135 F HA 0.032 4.559 4.527 0.001 0.000 0.297 135 F C 2.119 178.003 175.800 0.139 0.000 1.089 135 F CA 0.309 58.382 58.000 0.121 0.000 1.377 135 F CB -0.210 38.847 39.000 0.094 0.000 1.051 135 F HN 0.307 nan 8.300 nan 0.000 0.511 136 E N 0.167 120.558 120.200 0.317 0.000 2.051 136 E HA -0.181 4.170 4.350 0.001 0.000 0.192 136 E C 2.400 179.152 176.600 0.253 0.000 0.991 136 E CA 2.231 58.784 56.400 0.254 0.000 0.799 136 E CB -0.749 29.116 29.700 0.275 0.000 0.748 136 E HN 0.436 nan 8.360 nan 0.000 0.449 137 T N -1.001 113.747 114.554 0.324 0.000 2.904 137 T HA -0.066 4.285 4.350 0.001 0.000 0.267 137 T C 1.654 176.508 174.700 0.257 0.000 1.059 137 T CA 0.931 63.239 62.100 0.348 0.000 1.137 137 T CB -0.191 68.906 68.868 0.382 0.000 0.879 137 T HN -0.045 nan 8.240 nan 0.000 0.467 138 N N 2.149 120.982 118.700 0.221 0.000 2.043 138 N HA -0.113 4.628 4.740 0.001 0.000 0.193 138 N C 1.571 177.210 175.510 0.216 0.000 1.037 138 N CA 1.762 54.937 53.050 0.209 0.000 0.851 138 N CB -0.551 38.059 38.487 0.205 0.000 1.027 138 N HN 0.486 nan 8.380 nan 0.000 0.422 139 D N 0.821 121.344 120.400 0.204 0.000 2.144 139 D HA -0.060 4.580 4.640 0.001 0.000 0.199 139 D C 1.782 178.169 176.300 0.145 0.000 0.984 139 D CA 0.971 55.071 54.000 0.166 0.000 0.834 139 D CB -0.306 40.576 40.800 0.137 0.000 0.955 139 D HN 0.248 nan 8.370 nan 0.000 0.465 140 A N 0.510 123.418 122.820 0.146 0.000 1.969 140 A HA -0.097 4.223 4.320 0.001 0.000 0.218 140 A C 2.343 180.018 177.584 0.150 0.000 1.169 140 A CA 0.725 52.834 52.037 0.120 0.000 0.635 140 A CB -0.525 18.561 19.000 0.142 0.000 0.810 140 A HN 0.182 nan 8.150 nan 0.000 0.445 141 I N -0.493 120.202 120.570 0.209 0.000 2.233 141 I HA -0.204 3.967 4.170 0.001 0.000 0.243 141 I C 2.358 178.652 176.117 0.297 0.000 1.093 141 I CA 0.842 62.299 61.300 0.262 0.000 1.380 141 I CB -0.370 37.816 38.000 0.310 0.000 1.067 141 I HN 0.280 nan 8.210 nan 0.000 0.413 142 L N 0.139 121.544 121.223 0.304 0.000 1.990 142 L HA -0.273 4.068 4.340 0.001 0.000 0.213 142 L C 2.665 179.650 176.870 0.192 0.000 1.072 142 L CA 1.266 56.319 54.840 0.355 0.000 0.755 142 L CB -0.687 41.554 42.059 0.303 0.000 0.889 142 L HN 0.295 nan 8.230 nan 0.000 0.432 143 L N 0.351 121.647 121.223 0.121 0.000 1.989 143 L HA -0.124 4.217 4.340 0.001 0.000 0.211 143 L C 2.394 179.252 176.870 -0.021 0.000 1.071 143 L CA 2.298 57.166 54.840 0.046 0.000 0.749 143 L CB -1.265 40.831 42.059 0.062 0.000 0.890 143 L HN 0.175 nan 8.230 nan 0.000 0.431 144 G N -1.686 107.106 108.800 -0.014 0.000 2.491 144 G HA2 -0.360 3.600 3.960 0.001 0.000 0.218 144 G HA3 -0.360 3.600 3.960 0.001 0.000 0.218 144 G C 1.504 176.234 174.900 -0.283 0.000 1.180 144 G CA 1.238 46.261 45.100 -0.129 0.000 0.774 144 G HN 0.497 nan 8.290 nan 0.000 0.562 145 Y N 1.234 121.286 120.300 -0.413 0.000 2.224 145 Y HA -0.087 4.463 4.550 0.001 0.000 0.289 145 Y C 3.374 178.962 175.900 -0.521 0.000 1.146 145 Y CA 1.735 59.379 58.100 -0.760 0.000 1.182 145 Y CB -0.284 37.086 38.460 -1.815 0.000 0.983 145 Y HN 0.171 nan 8.280 nan 0.000 0.524 146 T N -0.977 113.428 114.554 -0.249 0.000 2.737 146 T HA -0.147 4.204 4.350 0.001 0.000 0.265 146 T C 2.094 176.564 174.700 -0.384 0.000 1.038 146 T CA 1.552 63.498 62.100 -0.257 0.000 1.144 146 T CB -0.708 67.895 68.868 -0.441 0.000 0.866 146 T HN 0.073 nan 8.240 nan 0.000 0.434 147 V N 1.879 121.603 119.914 -0.317 0.000 2.358 147 V HA -0.134 3.987 4.120 0.001 0.000 0.246 147 V C 2.944 179.042 176.094 0.006 0.000 1.047 147 V CA 1.585 63.794 62.300 -0.152 0.000 1.035 147 V CB -1.297 30.538 31.823 0.020 0.000 0.658 147 V HN 0.521 nan 8.190 nan 0.000 0.452 148 A N -0.287 122.503 122.820 -0.051 0.000 1.908 148 A HA -0.293 4.027 4.320 0.001 0.000 0.218 148 A C 2.027 179.625 177.584 0.024 0.000 1.181 148 A CA 2.103 54.104 52.037 -0.059 0.000 0.627 148 A CB -0.883 17.977 19.000 -0.234 0.000 0.818 148 A HN 0.721 nan 8.150 nan 0.000 0.445 149 W N 0.102 121.281 121.300 -0.201 0.000 2.335 149 W HA -0.216 4.444 4.660 0.001 0.000 0.311 149 W C 1.919 178.366 176.519 -0.120 0.000 1.213 149 W CA 1.463 58.715 57.345 -0.155 0.000 1.274 149 W CB -1.183 28.172 29.460 -0.174 0.000 1.148 149 W HN 0.422 nan 8.180 nan 0.000 0.498 150 F N 0.611 120.481 119.950 -0.133 0.000 2.234 150 F HA -0.136 4.391 4.527 0.001 0.000 0.299 150 F C 2.077 177.767 175.800 -0.183 0.000 1.087 150 F CA 1.928 59.776 58.000 -0.252 0.000 1.340 150 F CB -0.500 38.311 39.000 -0.315 0.000 1.031 150 F HN -0.195 nan 8.300 nan 0.000 0.500 151 L N -0.233 120.881 121.223 -0.182 0.000 2.131 151 L HA 0.023 4.364 4.340 0.001 0.000 0.206 151 L C 2.866 179.638 176.870 -0.165 0.000 1.087 151 L CA 0.964 55.653 54.840 -0.253 0.000 0.767 151 L CB -1.546 40.490 42.059 -0.038 0.000 0.917 151 L HN 0.283 nan 8.230 nan 0.000 0.441 152 G N -0.039 108.726 108.800 -0.058 0.000 2.529 152 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 152 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 152 G C 1.471 176.363 174.900 -0.014 0.000 1.177 152 G CA 0.754 45.847 45.100 -0.011 0.000 0.773 152 G HN 0.270 nan 8.290 nan 0.000 0.573 153 E N 0.147 120.314 120.200 -0.055 0.000 2.077 153 E HA -0.078 4.273 4.350 0.001 0.000 0.193 153 E C 2.937 179.472 176.600 -0.108 0.000 0.989 153 E CA 0.908 57.279 56.400 -0.047 0.000 0.800 153 E CB -0.565 29.069 29.700 -0.111 0.000 0.746 153 E HN 0.337 nan 8.360 nan 0.000 0.452 154 V N 1.584 121.303 119.914 -0.325 0.000 2.307 154 V HA -0.226 3.894 4.120 0.001 0.000 0.245 154 V C 2.470 178.519 176.094 -0.075 0.000 1.045 154 V CA 1.756 63.891 62.300 -0.276 0.000 1.024 154 V CB -0.897 30.653 31.823 -0.455 0.000 0.651 154 V HN 0.237 nan 8.190 nan 0.000 0.449 155 A N -0.951 121.848 122.820 -0.035 0.000 1.972 155 A HA -0.290 4.031 4.320 0.001 0.000 0.219 155 A C 2.228 179.855 177.584 0.072 0.000 1.169 155 A CA 2.055 54.119 52.037 0.045 0.000 0.635 155 A CB -0.876 18.158 19.000 0.056 0.000 0.810 155 A HN 0.754 nan 8.150 nan 0.000 0.446 156 H N -0.216 118.837 119.070 -0.028 0.000 2.276 156 H HA -0.025 4.531 4.556 0.001 0.000 0.301 156 H C 1.894 177.215 175.328 -0.012 0.000 1.073 156 H CA 1.821 57.859 56.048 -0.016 0.000 1.311 156 H CB -0.105 29.647 29.762 -0.017 0.000 1.379 156 H HN 0.422 nan 8.280 nan 0.000 0.494 157 L N 0.378 121.493 121.223 -0.181 0.000 2.109 157 L HA -0.050 4.291 4.340 0.001 0.000 0.207 157 L C 1.050 177.857 176.870 -0.105 0.000 1.086 157 L CA 0.457 55.168 54.840 -0.215 0.000 0.760 157 L CB -0.154 41.859 42.059 -0.077 0.000 0.910 157 L HN 0.258 nan 8.230 nan 0.000 0.437 158 D N -0.090 120.289 120.400 -0.035 0.000 2.264 158 D HA 0.086 4.727 4.640 0.001 0.000 0.250 158 D C 0.368 176.672 176.300 0.006 0.000 1.113 158 D CA 0.185 54.199 54.000 0.024 0.000 0.871 158 D CB 1.545 42.413 40.800 0.114 0.000 1.167 158 D HN 0.059 nan 8.370 nan 0.000 0.447 159 S N 2.104 117.791 115.700 -0.021 0.000 2.733 159 S HA 0.009 4.479 4.470 0.001 0.000 0.247 159 S C 1.150 175.710 174.600 -0.067 0.000 1.043 159 S CA -0.471 57.706 58.200 -0.038 0.000 1.066 159 S CB 0.683 63.852 63.200 -0.052 0.000 1.045 159 S HN 0.573 nan 8.310 nan 0.000 0.586 160 Q N 1.127 120.853 119.800 -0.123 0.000 2.287 160 Q HA 0.145 4.486 4.340 0.001 0.000 0.201 160 Q C -0.404 175.453 176.000 -0.239 0.000 0.946 160 Q CA 0.524 56.178 55.803 -0.248 0.000 0.868 160 Q CB 0.206 28.680 28.738 -0.439 0.000 0.967 160 Q HN 0.730 nan 8.270 nan 0.000 0.516 161 H N -0.093 119.017 119.070 0.068 0.000 2.487 161 H HA 0.517 5.073 4.556 0.001 0.000 0.333 161 H C -0.484 174.923 175.328 0.132 0.000 1.114 161 H CA -0.259 55.860 56.048 0.118 0.000 1.310 161 H CB 1.492 31.334 29.762 0.134 0.000 1.462 161 H HN 0.330 nan 8.280 nan 0.000 0.516 162 A N 2.915 125.914 122.820 0.298 0.000 2.366 162 A HA 0.390 4.711 4.320 0.001 0.000 0.249 162 A C -0.176 177.612 177.584 0.340 0.000 1.084 162 A CA -0.284 51.930 52.037 0.295 0.000 0.794 162 A CB 0.068 19.270 19.000 0.337 0.000 1.034 162 A HN 0.722 nan 8.150 nan 0.000 0.491 163 I N 1.954 122.711 120.570 0.311 0.000 2.448 163 I HA 0.294 4.465 4.170 0.001 0.000 0.281 163 I C -0.443 175.823 176.117 0.249 0.000 1.027 163 I CA -0.599 60.879 61.300 0.297 0.000 1.111 163 I CB 1.548 39.729 38.000 0.302 0.000 1.236 163 I HN 0.417 nan 8.210 nan 0.000 0.452 164 V N 6.217 126.265 119.914 0.223 0.000 2.439 164 V HA 0.837 4.958 4.120 0.001 0.000 0.282 164 V C -0.036 176.172 176.094 0.190 0.000 1.039 164 V CA -0.025 62.366 62.300 0.151 0.000 0.913 164 V CB 1.468 33.328 31.823 0.061 0.000 0.983 164 V HN 0.796 nan 8.190 nan 0.000 0.460 165 A N 5.116 128.043 122.820 0.178 0.000 2.340 165 A HA 0.571 4.891 4.320 0.001 0.000 0.297 165 A C -0.758 176.853 177.584 0.045 0.000 1.195 165 A CA -0.529 51.592 52.037 0.140 0.000 0.769 165 A CB 0.357 19.487 19.000 0.217 0.000 1.163 165 A HN 1.112 nan 8.150 nan 0.000 0.472 166 H N 1.476 120.434 119.070 -0.187 0.000 2.489 166 H HA 0.631 5.188 4.556 0.001 0.000 0.322 166 H C -1.382 173.686 175.328 -0.434 0.000 1.091 166 H CA -0.349 55.596 56.048 -0.171 0.000 1.291 166 H CB 0.713 30.403 29.762 -0.120 0.000 1.436 166 H HN 0.558 nan 8.280 nan 0.000 0.480 167 F N 2.657 122.727 119.950 0.200 0.000 2.507 167 F HA 0.255 4.783 4.527 0.001 0.000 0.325 167 F C -0.356 175.473 175.800 0.049 0.000 1.116 167 F CA -0.821 57.273 58.000 0.156 0.000 0.930 167 F CB 1.469 40.624 39.000 0.258 0.000 1.146 167 F HN 0.611 nan 8.300 nan 0.000 0.447 168 H N 1.423 120.701 119.070 0.347 0.000 2.504 168 H HA 0.498 5.054 4.556 0.001 0.000 0.322 168 H C -0.590 174.884 175.328 0.243 0.000 1.055 168 H CA -0.723 55.468 56.048 0.238 0.000 1.231 168 H CB 1.386 31.259 29.762 0.185 0.000 1.417 168 H HN 0.646 nan 8.280 nan 0.000 0.472 169 E N 1.264 121.659 120.200 0.325 0.000 8.710 169 E HA -0.213 4.137 4.350 0.001 0.000 0.468 169 E C 0.494 177.383 176.600 0.481 0.000 1.162 169 E CA 0.651 57.262 56.400 0.351 0.000 2.026 169 E CB -0.310 29.503 29.700 0.187 0.000 1.008 169 E HN 0.844 nan 8.360 nan 0.000 0.263 170 W N 3.625 125.171 121.300 0.411 0.000 2.374 170 W HA -0.142 4.519 4.660 0.001 0.000 0.288 170 W C 1.217 177.842 176.519 0.177 0.000 1.218 170 W CA 1.178 58.695 57.345 0.287 0.000 1.245 170 W CB -0.838 28.725 29.460 0.173 0.000 1.126 170 W HN 0.486 nan 8.180 nan 0.000 0.545 171 L N 1.879 122.737 121.223 -0.609 0.000 2.191 171 L HA -0.085 4.256 4.340 0.001 0.000 0.212 171 L C 2.699 179.509 176.870 -0.101 0.000 1.103 171 L CA 1.928 56.424 54.840 -0.574 0.000 0.769 171 L CB -0.958 40.662 42.059 -0.733 0.000 0.908 171 L HN 0.062 nan 8.230 nan 0.000 0.438 172 A N -0.686 122.159 122.820 0.043 0.000 2.460 172 A HA 0.420 4.740 4.320 0.001 0.000 0.258 172 A C 1.736 179.448 177.584 0.214 0.000 1.300 172 A CA 0.472 52.610 52.037 0.168 0.000 0.913 172 A CB -0.429 18.715 19.000 0.240 0.000 1.031 172 A HN 0.326 nan 8.150 nan 0.000 0.512 173 G N -1.368 107.496 108.800 0.107 0.000 3.159 173 G HA2 0.256 4.216 3.960 0.001 0.000 0.232 173 G HA3 0.256 4.216 3.960 0.001 0.000 0.232 173 G C 0.947 175.703 174.900 -0.241 0.000 1.116 173 G CA 0.707 45.752 45.100 -0.091 0.000 0.767 173 G HN 0.199 nan 8.290 nan 0.000 0.547 174 V N 1.378 121.212 119.914 -0.134 0.000 2.667 174 V HA -0.081 4.040 4.120 0.001 0.000 0.252 174 V C 3.106 178.995 176.094 -0.342 0.000 1.065 174 V CA 1.720 63.909 62.300 -0.184 0.000 1.083 174 V CB -0.330 31.451 31.823 -0.070 0.000 0.692 174 V HN 0.400 nan 8.190 nan 0.000 0.468 175 A N -0.188 122.412 122.820 -0.367 0.000 2.070 175 A HA -0.111 4.210 4.320 0.001 0.000 0.220 175 A C 2.201 179.460 177.584 -0.542 0.000 1.159 175 A CA 1.431 53.208 52.037 -0.434 0.000 0.656 175 A CB -0.407 18.440 19.000 -0.254 0.000 0.800 175 A HN 0.523 nan 8.150 nan 0.000 0.453 176 L N -0.726 120.111 121.223 -0.644 0.000 2.044 176 L HA -0.075 4.266 4.340 0.001 0.000 0.205 176 L C -0.428 176.213 176.870 -0.381 0.000 1.075 176 L CA 1.186 55.674 54.840 -0.586 0.000 0.747 176 L CB -1.186 40.498 42.059 -0.624 0.000 0.903 176 L HN 0.201 nan 8.230 nan 0.000 0.435 177 P HA -0.198 nan 4.420 nan 0.000 0.214 177 P C 1.905 179.055 177.300 -0.252 0.000 1.163 177 P CA 1.472 64.412 63.100 -0.267 0.000 0.889 177 P CB -0.002 31.549 31.700 -0.248 0.000 0.790 178 L N -1.160 119.875 121.223 -0.313 0.000 1.997 178 L HA -0.299 4.042 4.340 0.001 0.000 0.216 178 L C 2.674 179.414 176.870 -0.218 0.000 1.074 178 L CA 1.853 56.510 54.840 -0.304 0.000 0.763 178 L CB -1.704 40.081 42.059 -0.456 0.000 0.890 178 L HN 0.085 nan 8.230 nan 0.000 0.434 179 C N -0.597 118.575 119.300 -0.214 0.000 2.398 179 C HA -0.210 4.250 4.460 0.001 0.000 0.276 179 C C 3.094 178.018 174.990 -0.110 0.000 1.222 179 C CA 1.254 60.190 59.018 -0.136 0.000 1.746 179 C CB -1.039 26.633 27.740 -0.113 0.000 2.039 179 C HN 0.478 nan 8.230 nan 0.000 0.470 180 R N 0.796 121.218 120.500 -0.131 0.000 2.066 180 R HA -0.115 4.226 4.340 0.001 0.000 0.232 180 R C 2.406 178.648 176.300 -0.096 0.000 1.131 180 R CA 1.266 57.302 56.100 -0.106 0.000 0.955 180 R CB -0.294 29.935 30.300 -0.119 0.000 0.851 180 R HN 0.314 nan 8.270 nan 0.000 0.432 181 K N 1.200 121.531 120.400 -0.114 0.000 1.991 181 K HA -0.148 4.173 4.320 0.001 0.000 0.212 181 K C 1.797 178.349 176.600 -0.080 0.000 1.049 181 K CA 1.724 57.951 56.287 -0.099 0.000 0.932 181 K CB -0.170 32.264 32.500 -0.111 0.000 0.717 181 K HN 0.242 nan 8.250 nan 0.000 0.441 182 R N 0.489 120.936 120.500 -0.088 0.000 2.339 182 R HA 0.030 4.371 4.340 0.001 0.000 0.199 182 R C 0.350 176.621 176.300 -0.049 0.000 1.018 182 R CA 0.067 56.125 56.100 -0.070 0.000 1.036 182 R CB -0.213 30.038 30.300 -0.082 0.000 0.899 182 R HN 0.146 nan 8.270 nan 0.000 0.473 183 R N 1.256 121.728 120.500 -0.047 0.000 3.387 183 R HA -0.159 4.181 4.340 0.001 0.000 0.254 183 R C -0.314 175.982 176.300 -0.006 0.000 1.006 183 R CA 0.321 56.406 56.100 -0.025 0.000 0.677 183 R CB -1.296 28.994 30.300 -0.017 0.000 1.063 183 R HN 0.208 nan 8.270 nan 0.000 0.453 184 I N 0.132 120.695 120.570 -0.012 0.000 2.752 184 I HA -0.050 4.121 4.170 0.001 0.000 0.287 184 I C 1.019 177.163 176.117 0.044 0.000 1.188 184 I CA 0.346 61.652 61.300 0.010 0.000 1.427 184 I CB 0.470 38.469 38.000 -0.002 0.000 1.365 184 I HN 0.147 nan 8.210 nan 0.000 0.585 185 D N 5.725 126.169 120.400 0.073 0.000 2.845 185 D HA 0.280 4.920 4.640 0.001 0.000 0.235 185 D C -0.553 175.843 176.300 0.160 0.000 1.158 185 D CA 0.010 54.086 54.000 0.127 0.000 0.990 185 D CB -0.196 40.688 40.800 0.139 0.000 1.094 185 D HN 0.328 nan 8.370 nan 0.000 0.486 186 V N -0.733 119.255 119.914 0.123 0.000 2.789 186 V HA 0.632 4.753 4.120 0.001 0.000 0.311 186 V C 0.156 176.291 176.094 0.070 0.000 1.073 186 V CA -1.238 61.145 62.300 0.137 0.000 0.921 186 V CB 1.468 33.382 31.823 0.151 0.000 1.009 186 V HN 0.008 nan 8.190 nan 0.000 0.426 187 V N 1.184 121.122 119.914 0.039 0.000 2.465 187 V HA 0.847 4.968 4.120 0.001 0.000 0.279 187 V C 0.452 176.563 176.094 0.030 0.000 1.045 187 V CA 0.389 62.664 62.300 -0.041 0.000 0.938 187 V CB 0.754 32.493 31.823 -0.141 0.000 0.986 187 V HN 1.307 nan 8.190 nan 0.000 0.467 188 T N 3.014 117.584 114.554 0.026 0.000 2.829 188 T HA 0.796 5.146 4.350 0.001 0.000 0.280 188 T C -0.601 174.135 174.700 0.060 0.000 0.999 188 T CA -0.633 61.535 62.100 0.113 0.000 0.983 188 T CB 1.389 70.327 68.868 0.117 0.000 0.968 188 T HN 0.672 nan 8.240 nan 0.000 0.446 189 I N 3.058 123.672 120.570 0.073 0.000 2.465 189 I HA 0.527 4.697 4.170 0.001 0.000 0.291 189 I C -1.175 175.037 176.117 0.159 0.000 1.014 189 I CA -1.062 60.197 61.300 -0.070 0.000 1.093 189 I CB 1.885 39.557 38.000 -0.547 0.000 1.267 189 I HN 0.640 nan 8.210 nan 0.000 0.431 190 F N 5.094 125.073 119.950 0.050 0.000 2.427 190 F HA 0.531 5.059 4.527 0.001 0.000 0.348 190 F C -0.323 175.583 175.800 0.177 0.000 1.125 190 F CA -0.258 57.842 58.000 0.167 0.000 0.989 190 F CB 1.486 40.584 39.000 0.163 0.000 1.165 190 F HN 0.318 nan 8.300 nan 0.000 0.442 191 T N 4.311 118.630 114.554 -0.393 0.000 2.824 191 T HA 0.381 4.732 4.350 0.001 0.000 0.280 191 T C -0.491 173.824 174.700 -0.641 0.000 0.995 191 T CA -0.420 61.419 62.100 -0.435 0.000 1.009 191 T CB 1.412 70.219 68.868 -0.102 0.000 0.955 191 T HN 0.612 nan 8.240 nan 0.000 0.452 192 T N 2.170 116.425 114.554 -0.499 0.000 2.812 192 T HA 0.276 4.626 4.350 0.001 0.000 0.282 192 T C 0.347 174.979 174.700 -0.113 0.000 0.990 192 T CA -0.658 61.319 62.100 -0.205 0.000 0.960 192 T CB 0.382 69.265 68.868 0.025 0.000 0.948 192 T HN 0.638 nan 8.240 nan 0.000 0.438 193 H N 2.824 121.926 119.070 0.054 0.000 2.567 193 H HA 0.570 5.127 4.556 0.001 0.000 0.294 193 H C 0.629 176.028 175.328 0.119 0.000 1.050 193 H CA 0.104 56.196 56.048 0.073 0.000 1.168 193 H CB 0.289 30.099 29.762 0.080 0.000 1.422 193 H HN 0.768 nan 8.280 nan 0.000 0.562 194 A N 0.366 123.331 122.820 0.240 0.000 2.450 194 A HA 0.287 4.607 4.320 0.001 0.000 0.300 194 A C -0.415 177.358 177.584 0.316 0.000 0.936 194 A CA -0.378 51.826 52.037 0.278 0.000 0.570 194 A CB 0.096 19.282 19.000 0.310 0.000 1.440 194 A HN 0.191 nan 8.150 nan 0.000 0.490 195 T N -1.110 113.653 114.554 0.348 0.000 2.924 195 T HA 0.673 5.024 4.350 0.001 0.000 0.291 195 T C 0.953 175.821 174.700 0.280 0.000 1.045 195 T CA -0.229 62.060 62.100 0.315 0.000 1.015 195 T CB 1.237 70.288 68.868 0.305 0.000 1.103 195 T HN 0.869 nan 8.240 nan 0.000 0.496 196 L N 0.640 122.003 121.223 0.233 0.000 2.027 196 L HA 0.065 4.406 4.340 0.001 0.000 0.206 196 L C 2.566 179.562 176.870 0.209 0.000 1.074 196 L CA 1.113 56.074 54.840 0.201 0.000 0.745 196 L CB -0.418 41.657 42.059 0.028 0.000 0.898 196 L HN 0.681 nan 8.230 nan 0.000 0.433 197 L N -1.048 120.281 121.223 0.177 0.000 2.141 197 L HA -0.106 4.235 4.340 0.001 0.000 0.209 197 L C 2.592 179.506 176.870 0.074 0.000 1.094 197 L CA 1.046 55.957 54.840 0.118 0.000 0.763 197 L CB -1.057 41.090 42.059 0.146 0.000 0.908 197 L HN 0.326 nan 8.230 nan 0.000 0.437 198 G N 0.097 108.966 108.800 0.115 0.000 2.459 198 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 198 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 198 G C 1.694 176.140 174.900 -0.758 0.000 1.183 198 G CA 0.500 45.523 45.100 -0.128 0.000 0.776 198 G HN 0.241 nan 8.290 nan 0.000 0.552 199 R N -0.596 119.620 120.500 -0.473 0.000 2.082 199 R HA -0.125 4.215 4.340 0.001 0.000 0.234 199 R C 2.401 178.359 176.300 -0.569 0.000 1.136 199 R CA 1.698 57.455 56.100 -0.572 0.000 0.935 199 R CB -0.907 29.244 30.300 -0.248 0.000 0.842 199 R HN 0.482 nan 8.270 nan 0.000 0.430 200 Y N 1.158 121.173 120.300 -0.475 0.000 2.333 200 Y HA -0.141 4.410 4.550 0.001 0.000 0.290 200 Y C 2.343 177.841 175.900 -0.669 0.000 1.144 200 Y CA 1.019 58.699 58.100 -0.700 0.000 1.228 200 Y CB -0.180 37.600 38.460 -1.133 0.000 0.985 200 Y HN 0.034 nan 8.280 nan 0.000 0.542 201 L N -2.024 119.014 121.223 -0.308 0.000 2.068 201 L HA -0.202 4.138 4.340 0.001 0.000 0.204 201 L C 2.098 178.876 176.870 -0.153 0.000 1.076 201 L CA 0.793 55.592 54.840 -0.068 0.000 0.753 201 L CB -0.657 41.471 42.059 0.116 0.000 0.910 201 L HN 0.220 nan 8.230 nan 0.000 0.439 202 C N 0.269 119.288 119.300 -0.469 0.000 2.466 202 C HA 0.027 4.487 4.460 0.001 0.000 0.283 202 C C 2.606 177.508 174.990 -0.147 0.000 1.472 202 C CA 0.401 59.198 59.018 -0.368 0.000 1.765 202 C CB -1.319 25.952 27.740 -0.783 0.000 1.724 202 C HN 0.510 nan 8.230 nan 0.000 0.560 203 A N 0.797 123.510 122.820 -0.178 0.000 2.252 203 A HA 0.063 4.383 4.320 0.001 0.000 0.207 203 A C 2.034 179.626 177.584 0.012 0.000 1.194 203 A CA 1.393 53.373 52.037 -0.094 0.000 0.809 203 A CB -0.292 18.601 19.000 -0.179 0.000 0.814 203 A HN 0.681 nan 8.150 nan 0.000 0.482 204 S N -2.406 113.327 115.700 0.055 0.000 2.613 204 S HA 0.518 4.988 4.470 0.001 0.000 0.235 204 S C 0.986 175.646 174.600 0.099 0.000 1.073 204 S CA 0.916 59.172 58.200 0.093 0.000 0.899 204 S CB -0.012 63.264 63.200 0.127 0.000 0.818 204 S HN 1.970 nan 8.310 nan 0.000 0.484 209 F N 0.540 120.615 119.950 0.209 0.000 1.963 209 F HA 0.234 4.762 4.527 0.001 0.000 0.218 209 F C 1.097 176.930 175.800 0.055 0.000 1.249 209 F CA -0.302 57.715 58.000 0.028 0.000 1.294 209 F CB -0.109 38.755 39.000 -0.226 0.000 1.877 209 F HN 0.414 nan 8.300 nan 0.000 0.210 210 Y N 2.171 122.562 120.300 0.151 0.000 2.425 210 Y HA -0.286 4.264 4.550 0.001 0.000 0.285 210 Y C 1.885 177.809 175.900 0.041 0.000 1.170 210 Y CA 1.531 59.643 58.100 0.020 0.000 1.304 210 Y CB -0.994 37.528 38.460 0.102 0.000 0.972 210 Y HN 0.205 nan 8.280 nan 0.000 0.558 211 N N -0.299 118.511 118.700 0.183 0.000 2.202 211 N HA -0.093 4.648 4.740 0.001 0.000 0.191 211 N C 1.581 177.131 175.510 0.067 0.000 1.054 211 N CA 1.604 54.736 53.050 0.137 0.000 0.877 211 N CB -1.060 37.512 38.487 0.142 0.000 1.057 211 N HN 0.395 nan 8.380 nan 0.000 0.456 212 C N 2.169 121.498 119.300 0.049 0.000 2.460 212 C HA 0.302 4.763 4.460 0.001 0.000 0.322 212 C C 2.095 177.058 174.990 -0.046 0.000 1.333 212 C CA -0.699 58.331 59.018 0.020 0.000 1.631 212 C CB -2.155 25.616 27.740 0.052 0.000 1.672 212 C HN 0.396 nan 8.230 nan 0.000 0.596 213 L N -0.097 121.030 121.223 -0.159 0.000 2.418 213 L HA 0.204 4.545 4.340 0.001 0.000 0.218 213 L C 1.969 178.700 176.870 -0.231 0.000 1.125 213 L CA 1.401 56.068 54.840 -0.288 0.000 0.835 213 L CB -1.184 40.445 42.059 -0.716 0.000 0.953 213 L HN 0.355 nan 8.230 nan 0.000 0.454 214 E N 0.645 120.715 120.200 -0.217 0.000 2.494 214 E HA 0.053 4.403 4.350 0.001 0.000 0.193 214 E C 0.697 177.286 176.600 -0.019 0.000 1.074 214 E CA 0.693 56.955 56.400 -0.231 0.000 0.867 214 E CB -0.204 29.321 29.700 -0.292 0.000 0.924 214 E HN 0.727 nan 8.360 nan 0.000 0.502 215 S N -0.640 115.052 115.700 -0.014 0.000 3.101 215 S HA 0.146 4.617 4.470 0.001 0.000 0.252 215 S C 0.161 174.774 174.600 0.022 0.000 0.920 215 S CA -0.603 57.609 58.200 0.020 0.000 1.158 215 S CB -0.235 62.978 63.200 0.021 0.000 1.125 215 S HN 0.089 nan 8.310 nan 0.000 0.608 216 V N -0.176 119.751 119.914 0.022 0.000 2.617 216 V HA 0.649 4.769 4.120 0.001 0.000 0.298 216 V C -0.201 175.918 176.094 0.042 0.000 1.048 216 V CA -0.712 61.611 62.300 0.039 0.000 0.964 216 V CB 1.129 32.984 31.823 0.054 0.000 1.004 216 V HN 0.258 nan 8.190 nan 0.000 0.466 217 D N 2.766 123.195 120.400 0.048 0.000 2.359 217 D HA 0.184 4.825 4.640 0.001 0.000 0.250 217 D C 1.155 177.483 176.300 0.047 0.000 1.264 217 D CA 0.239 54.267 54.000 0.047 0.000 0.911 217 D CB 1.232 42.052 40.800 0.034 0.000 1.056 217 D HN 0.578 nan 8.370 nan 0.000 0.499 218 V N 1.939 121.858 119.914 0.008 0.000 2.255 218 V HA -0.227 3.894 4.120 0.001 0.000 0.247 218 V C 1.616 177.602 176.094 -0.180 0.000 1.051 218 V CA 1.581 63.815 62.300 -0.110 0.000 1.018 218 V CB -0.546 31.216 31.823 -0.101 0.000 0.641 218 V HN 0.334 nan 8.190 nan 0.000 0.445 219 D N -0.716 119.663 120.400 -0.036 0.000 2.221 219 D HA -0.169 4.472 4.640 0.001 0.000 0.204 219 D C 2.091 178.402 176.300 0.018 0.000 0.982 219 D CA 1.777 55.816 54.000 0.065 0.000 0.857 219 D CB -0.378 40.502 40.800 0.134 0.000 0.934 219 D HN 0.795 nan 8.370 nan 0.000 0.475 220 H N 0.577 119.603 119.070 -0.073 0.000 2.399 220 H HA 0.051 4.607 4.556 0.001 0.000 0.300 220 H C 1.461 176.726 175.328 -0.105 0.000 1.048 220 H CA 0.713 56.706 56.048 -0.091 0.000 1.370 220 H CB 0.660 30.376 29.762 -0.077 0.000 1.428 220 H HN 0.017 nan 8.280 nan 0.000 0.534 221 E N 1.034 121.155 120.200 -0.131 0.000 2.072 221 E HA -0.076 4.275 4.350 0.001 0.000 0.191 221 E C 2.357 178.892 176.600 -0.110 0.000 0.985 221 E CA 0.810 57.110 56.400 -0.166 0.000 0.801 221 E CB -0.309 29.427 29.700 0.061 0.000 0.750 221 E HN 0.506 nan 8.360 nan 0.000 0.452 222 A N 1.636 124.397 122.820 -0.099 0.000 1.917 222 A HA -0.143 4.178 4.320 0.001 0.000 0.219 222 A C 2.486 180.055 177.584 -0.025 0.000 1.182 222 A CA 2.109 54.104 52.037 -0.069 0.000 0.633 222 A CB -1.210 17.662 19.000 -0.214 0.000 0.819 222 A HN 0.342 nan 8.150 nan 0.000 0.448 223 G N -0.487 108.253 108.800 -0.100 0.000 2.453 223 G HA2 -0.291 3.670 3.960 0.001 0.000 0.215 223 G HA3 -0.291 3.670 3.960 0.001 0.000 0.215 223 G C 1.669 176.423 174.900 -0.243 0.000 1.201 223 G CA 1.166 46.169 45.100 -0.162 0.000 0.784 223 G HN 0.617 nan 8.290 nan 0.000 0.545 224 R N -0.592 119.633 120.500 -0.459 0.000 2.185 224 R HA -0.119 4.222 4.340 0.001 0.000 0.247 224 R C 1.823 177.834 176.300 -0.482 0.000 1.159 224 R CA 1.591 57.362 56.100 -0.549 0.000 0.988 224 R CB -0.383 29.450 30.300 -0.778 0.000 0.871 224 R HN 0.398 nan 8.270 nan 0.000 0.458 225 F N -0.696 119.146 119.950 -0.181 0.000 2.749 225 F HA 0.340 4.868 4.527 0.001 0.000 0.300 225 F C 1.496 177.188 175.800 -0.179 0.000 1.103 225 F CA 0.590 58.478 58.000 -0.188 0.000 1.342 225 F CB 0.703 39.491 39.000 -0.353 0.000 1.098 225 F HN 0.253 nan 8.300 nan 0.000 0.586 226 G N 0.776 109.583 108.800 0.011 0.000 2.212 226 G HA2 -0.245 3.716 3.960 0.001 0.000 0.255 226 G HA3 -0.245 3.716 3.960 0.001 0.000 0.255 226 G C 0.642 175.563 174.900 0.035 0.000 1.062 226 G CA 0.314 45.442 45.100 0.047 0.000 0.815 226 G HN 0.229 nan 8.290 nan 0.000 0.497 227 I N -0.893 119.640 120.570 -0.061 0.000 4.154 227 I HA 0.199 4.370 4.170 0.001 0.000 0.334 227 I C 1.965 177.948 176.117 -0.223 0.000 1.371 227 I CA -0.635 60.505 61.300 -0.267 0.000 1.110 227 I CB -0.879 36.861 38.000 -0.434 0.000 1.085 227 I HN 0.318 nan 8.210 nan 0.000 0.398 228 Y N 3.413 123.667 120.300 -0.077 0.000 2.040 228 Y HA -0.353 4.198 4.550 0.001 0.000 0.275 228 Y C 2.964 178.888 175.900 0.040 0.000 1.171 228 Y CA 2.615 60.730 58.100 0.027 0.000 1.123 228 Y CB -0.430 38.086 38.460 0.092 0.000 0.963 228 Y HN 0.435 nan 8.280 nan 0.000 0.493 229 H N -0.654 118.408 119.070 -0.014 0.000 2.387 229 H HA -0.090 4.466 4.556 0.001 0.000 0.299 229 H C 2.104 177.323 175.328 -0.181 0.000 1.090 229 H CA 1.717 57.720 56.048 -0.076 0.000 1.332 229 H CB -0.762 29.018 29.762 0.030 0.000 1.386 229 H HN 0.372 nan 8.280 nan 0.000 0.516 230 R N -0.068 119.994 120.500 -0.730 0.000 2.066 230 R HA -0.128 4.212 4.340 0.001 0.000 0.232 230 R C 2.408 178.301 176.300 -0.678 0.000 1.131 230 R CA 1.298 56.901 56.100 -0.829 0.000 0.955 230 R CB -0.704 28.968 30.300 -1.046 0.000 0.851 230 R HN 0.309 nan 8.270 nan 0.000 0.432 231 Y N 1.423 121.368 120.300 -0.592 0.000 2.151 231 Y HA -0.347 4.204 4.550 0.001 0.000 0.284 231 Y C 2.320 177.994 175.900 -0.377 0.000 1.166 231 Y CA 1.327 59.171 58.100 -0.427 0.000 1.163 231 Y CB -0.461 37.807 38.460 -0.320 0.000 0.974 231 Y HN 0.059 nan 8.280 nan 0.000 0.511 232 C N 0.299 119.326 119.300 -0.455 0.000 2.425 232 C HA -0.180 4.281 4.460 0.001 0.000 0.277 232 C C 2.755 177.539 174.990 -0.343 0.000 1.280 232 C CA 1.262 60.025 59.018 -0.424 0.000 1.744 232 C CB -1.408 26.133 27.740 -0.331 0.000 1.989 232 C HN 0.626 nan 8.230 nan 0.000 0.491 233 I N 0.632 121.036 120.570 -0.277 0.000 2.202 233 I HA -0.185 3.986 4.170 0.001 0.000 0.242 233 I C 2.649 178.637 176.117 -0.215 0.000 1.091 233 I CA 1.616 62.815 61.300 -0.169 0.000 1.368 233 I CB -0.704 37.304 38.000 0.013 0.000 1.058 233 I HN 0.403 nan 8.210 nan 0.000 0.410 234 E N 1.249 121.294 120.200 -0.258 0.000 2.118 234 E HA -0.269 4.082 4.350 0.001 0.000 0.195 234 E C 2.398 178.797 176.600 -0.334 0.000 0.992 234 E CA 1.203 57.509 56.400 -0.158 0.000 0.804 234 E CB 0.042 29.658 29.700 -0.140 0.000 0.741 234 E HN 0.256 nan 8.360 nan 0.000 0.458 235 R N -0.160 120.027 120.500 -0.521 0.000 2.062 235 R HA -0.119 4.221 4.340 0.001 0.000 0.231 235 R C 2.325 178.401 176.300 -0.373 0.000 1.136 235 R CA 1.241 57.039 56.100 -0.503 0.000 0.948 235 R CB -0.350 29.609 30.300 -0.568 0.000 0.845 235 R HN 0.208 nan 8.270 nan 0.000 0.430 236 A N 0.986 123.622 122.820 -0.307 0.000 1.892 236 A HA -0.226 4.094 4.320 0.001 0.000 0.218 236 A C 2.375 179.733 177.584 -0.377 0.000 1.188 236 A CA 2.115 53.999 52.037 -0.256 0.000 0.631 236 A CB -0.980 17.883 19.000 -0.228 0.000 0.822 236 A HN 0.567 nan 8.150 nan 0.000 0.447 237 A N -0.319 122.181 122.820 -0.535 0.000 1.892 237 A HA 0.048 4.369 4.320 0.001 0.000 0.218 237 A C 2.505 179.539 177.584 -0.916 0.000 1.188 237 A CA 2.555 54.057 52.037 -0.891 0.000 0.631 237 A CB -1.069 17.093 19.000 -1.396 0.000 0.822 237 A HN 1.238 nan 8.150 nan 0.000 0.447 238 A N -1.990 120.346 122.820 -0.807 0.000 2.014 238 A HA -0.098 4.223 4.320 0.001 0.000 0.218 238 A C 1.982 179.086 177.584 -0.800 0.000 1.163 238 A CA 1.435 52.936 52.037 -0.893 0.000 0.652 238 A CB -0.648 17.573 19.000 -1.300 0.000 0.808 238 A HN 0.679 nan 8.150 nan 0.000 0.449 239 H N -0.978 117.839 119.070 -0.421 0.000 2.520 239 H HA 0.125 4.681 4.556 0.001 0.000 0.279 239 H C 2.077 177.269 175.328 -0.227 0.000 0.990 239 H CA 1.172 57.046 56.048 -0.291 0.000 1.288 239 H CB 0.074 29.688 29.762 -0.247 0.000 1.446 239 H HN 0.461 nan 8.280 nan 0.000 0.538 240 S N 0.768 116.374 115.700 -0.157 0.000 2.461 240 S HA 0.109 4.580 4.470 0.001 0.000 0.228 240 S C 1.344 175.860 174.600 -0.141 0.000 1.005 240 S CA 0.275 58.379 58.200 -0.160 0.000 0.942 240 S CB 0.008 63.075 63.200 -0.223 0.000 0.776 240 S HN 0.407 nan 8.310 nan 0.000 0.514 241 A N 1.846 124.584 122.820 -0.137 0.000 2.445 241 A HA 0.216 4.537 4.320 0.001 0.000 0.242 241 A C 0.719 178.290 177.584 -0.021 0.000 1.075 241 A CA -0.379 51.629 52.037 -0.049 0.000 0.777 241 A CB 0.158 19.201 19.000 0.072 0.000 1.013 241 A HN 0.119 nan 8.150 nan 0.000 0.493 242 D N 0.191 120.577 120.400 -0.022 0.000 2.149 242 D HA 0.033 4.674 4.640 0.001 0.000 0.201 242 D C 0.160 176.446 176.300 -0.022 0.000 0.972 242 D CA 1.388 55.363 54.000 -0.042 0.000 0.835 242 D CB -0.026 40.728 40.800 -0.077 0.000 0.966 242 D HN 0.197 nan 8.370 nan 0.000 0.476 243 V N 1.252 121.167 119.914 0.001 0.000 2.483 243 V HA 0.262 4.382 4.120 0.001 0.000 0.297 243 V C -1.060 175.102 176.094 0.113 0.000 1.027 243 V CA -1.005 61.301 62.300 0.011 0.000 0.855 243 V CB 2.241 34.022 31.823 -0.071 0.000 0.995 243 V HN -0.105 nan 8.190 nan 0.000 0.424 244 F N 5.186 125.114 119.950 -0.035 0.000 2.411 244 F HA 0.802 5.329 4.527 0.001 0.000 0.352 244 F C 0.302 176.073 175.800 -0.048 0.000 1.123 244 F CA -0.392 57.606 58.000 -0.003 0.000 1.044 244 F CB 1.558 40.566 39.000 0.013 0.000 1.135 244 F HN 0.636 nan 8.300 nan 0.000 0.461 245 T N 1.484 115.685 114.554 -0.587 0.000 2.887 245 T HA 0.848 5.199 4.350 0.001 0.000 0.292 245 T C -0.317 173.956 174.700 -0.711 0.000 1.087 245 T CA -0.435 61.308 62.100 -0.596 0.000 1.009 245 T CB 1.743 70.403 68.868 -0.346 0.000 1.203 245 T HN 0.774 nan 8.240 nan 0.000 0.518 246 T N -2.081 112.182 114.554 -0.485 0.000 2.865 246 T HA 0.532 4.883 4.350 0.001 0.000 0.294 246 T C 1.339 175.874 174.700 -0.275 0.000 1.119 246 T CA -0.168 61.714 62.100 -0.363 0.000 1.007 246 T CB 1.112 69.832 68.868 -0.247 0.000 1.225 246 T HN 1.024 nan 8.240 nan 0.000 0.515 247 V N -0.666 119.095 119.914 -0.255 0.000 2.667 247 V HA 0.243 4.363 4.120 0.001 0.000 0.252 247 V C 1.033 177.066 176.094 -0.102 0.000 1.065 247 V CA 0.992 63.151 62.300 -0.236 0.000 1.083 247 V CB -1.461 30.238 31.823 -0.206 0.000 0.692 247 V HN 1.139 nan 8.190 nan 0.000 0.468 248 S N -2.347 113.364 115.700 0.018 0.000 2.595 248 S HA 0.459 4.930 4.470 0.001 0.000 0.281 248 S C 0.376 175.042 174.600 0.109 0.000 1.117 248 S CA -0.622 57.664 58.200 0.144 0.000 0.873 248 S CB 2.337 65.680 63.200 0.239 0.000 1.108 248 S HN 0.030 nan 8.310 nan 0.000 0.477 249 Q N 0.436 120.320 119.800 0.139 0.000 2.061 249 Q HA -0.088 4.253 4.340 0.001 0.000 0.204 249 Q C 1.857 177.949 176.000 0.153 0.000 0.984 249 Q CA 1.885 57.763 55.803 0.125 0.000 0.846 249 Q CB -0.652 28.156 28.738 0.117 0.000 0.902 249 Q HN 0.868 nan 8.270 nan 0.000 0.421 250 I N 0.306 120.965 120.570 0.148 0.000 2.179 250 I HA -0.224 3.946 4.170 0.001 0.000 0.242 250 I C 1.884 178.187 176.117 0.310 0.000 1.088 250 I CA 1.793 63.213 61.300 0.200 0.000 1.357 250 I CB -0.689 37.387 38.000 0.126 0.000 1.051 250 I HN 0.077 nan 8.210 nan 0.000 0.409 251 T N 0.899 115.588 114.554 0.225 0.000 2.915 251 T HA -0.049 4.302 4.350 0.001 0.000 0.269 251 T C 1.873 176.689 174.700 0.193 0.000 1.071 251 T CA 1.182 63.413 62.100 0.217 0.000 1.132 251 T CB -0.456 68.493 68.868 0.134 0.000 0.878 251 T HN 0.538 nan 8.240 nan 0.000 0.479 252 A N 0.633 123.548 122.820 0.159 0.000 1.968 252 A HA 0.047 4.368 4.320 0.001 0.000 0.217 252 A C 1.932 179.641 177.584 0.208 0.000 1.169 252 A CA 0.980 53.084 52.037 0.112 0.000 0.638 252 A CB -0.754 18.284 19.000 0.064 0.000 0.812 252 A HN 0.588 nan 8.150 nan 0.000 0.446 253 F N 0.867 120.906 119.950 0.149 0.000 2.128 253 F HA -0.096 4.432 4.527 0.001 0.000 0.295 253 F C 2.125 178.077 175.800 0.254 0.000 1.100 253 F CA 1.930 60.054 58.000 0.207 0.000 1.260 253 F CB -0.221 38.888 39.000 0.181 0.000 1.009 253 F HN 0.386 nan 8.300 nan 0.000 0.476 254 E N 0.677 120.933 120.200 0.093 0.000 2.085 254 E HA -0.248 4.103 4.350 0.001 0.000 0.194 254 E C 2.217 178.849 176.600 0.055 0.000 0.994 254 E CA 1.241 57.638 56.400 -0.005 0.000 0.801 254 E CB -0.366 29.509 29.700 0.293 0.000 0.743 254 E HN 0.518 nan 8.360 nan 0.000 0.453 255 A N 1.277 124.183 122.820 0.144 0.000 1.873 255 A HA -0.230 4.090 4.320 0.001 0.000 0.215 255 A C 2.094 179.778 177.584 0.167 0.000 1.186 255 A CA 1.626 53.785 52.037 0.202 0.000 0.616 255 A CB -0.692 18.452 19.000 0.240 0.000 0.823 255 A HN 0.491 nan 8.150 nan 0.000 0.442 256 E N -0.814 119.453 120.200 0.112 0.000 2.065 256 E HA -0.317 4.033 4.350 0.001 0.000 0.201 256 E C 1.777 178.317 176.600 -0.099 0.000 1.016 256 E CA 1.983 58.391 56.400 0.014 0.000 0.818 256 E CB -0.231 29.439 29.700 -0.049 0.000 0.749 256 E HN 0.799 nan 8.360 nan 0.000 0.453 257 H N -0.741 118.258 119.070 -0.118 0.000 2.470 257 H HA 0.092 4.649 4.556 0.001 0.000 0.289 257 H C 1.777 177.087 175.328 -0.030 0.000 1.033 257 H CA 1.006 56.985 56.048 -0.115 0.000 1.331 257 H CB 0.243 29.844 29.762 -0.268 0.000 1.414 257 H HN 0.165 nan 8.280 nan 0.000 0.545 258 L N -0.672 120.620 121.223 0.115 0.000 2.253 258 L HA 0.069 4.410 4.340 0.001 0.000 0.205 258 L C 1.375 178.398 176.870 0.255 0.000 1.078 258 L CA 0.534 55.477 54.840 0.172 0.000 0.805 258 L CB 0.180 42.349 42.059 0.184 0.000 0.963 258 L HN 0.238 nan 8.230 nan 0.000 0.459 259 L N -1.085 120.238 121.223 0.167 0.000 2.463 259 L HA 0.116 4.457 4.340 0.001 0.000 0.219 259 L C 0.316 177.216 176.870 0.049 0.000 1.088 259 L CA -0.025 54.851 54.840 0.059 0.000 0.849 259 L CB 0.291 42.316 42.059 -0.058 0.000 1.012 259 L HN 0.103 nan 8.230 nan 0.000 0.468 260 K N 0.873 121.317 120.400 0.075 0.000 3.235 260 K HA -0.149 4.172 4.320 0.001 0.000 0.273 260 K C -0.121 176.554 176.600 0.125 0.000 1.183 260 K CA 0.592 56.935 56.287 0.093 0.000 0.807 260 K CB -1.729 30.859 32.500 0.146 0.000 1.297 260 K HN 0.446 nan 8.250 nan 0.000 0.508 261 R N 0.675 121.196 120.500 0.035 0.000 2.548 261 R HA 0.293 4.634 4.340 0.001 0.000 0.280 261 R C -1.065 175.345 176.300 0.184 0.000 1.061 261 R CA -0.852 55.287 56.100 0.064 0.000 0.915 261 R CB 1.516 31.719 30.300 -0.162 0.000 1.210 261 R HN 0.123 nan 8.270 nan 0.000 0.442 262 K N 5.259 125.746 120.400 0.145 0.000 2.349 262 K HA 0.251 4.572 4.320 0.001 0.000 0.289 262 K C -2.170 174.540 176.600 0.184 0.000 1.064 262 K CA -1.605 54.765 56.287 0.138 0.000 0.947 262 K CB 0.758 33.301 32.500 0.073 0.000 1.007 262 K HN 0.310 nan 8.250 nan 0.000 0.478 263 P HA -0.082 nan 4.420 nan 0.000 0.263 263 P C -0.675 176.603 177.300 -0.037 0.000 1.175 263 P CA 0.196 63.234 63.100 -0.105 0.000 0.761 263 P CB 0.519 32.062 31.700 -0.262 0.000 0.794 264 D N 1.161 121.532 120.400 -0.047 0.000 2.340 264 D HA 0.181 4.822 4.640 0.001 0.000 0.220 264 D C 1.159 177.427 176.300 -0.052 0.000 1.039 264 D CA 0.797 54.782 54.000 -0.025 0.000 0.866 264 D CB 0.211 41.002 40.800 -0.015 0.000 0.913 264 D HN 0.533 nan 8.370 nan 0.000 0.523 265 G N -0.359 108.384 108.800 -0.094 0.000 2.322 265 G HA2 0.352 4.313 3.960 0.001 0.000 0.295 265 G HA3 0.352 4.313 3.960 0.001 0.000 0.295 265 G C -1.876 172.951 174.900 -0.122 0.000 1.369 265 G CA -0.735 44.316 45.100 -0.082 0.000 0.821 265 G HN -0.083 nan 8.290 nan 0.000 0.536 266 I N 0.335 120.854 120.570 -0.085 0.000 2.530 266 I HA 0.528 4.698 4.170 0.001 0.000 0.297 266 I C -0.206 175.840 176.117 -0.118 0.000 1.011 266 I CA -1.079 60.161 61.300 -0.100 0.000 1.107 266 I CB 1.523 39.504 38.000 -0.031 0.000 1.285 266 I HN 0.404 nan 8.210 nan 0.000 0.436 267 L N 7.239 128.360 121.223 -0.169 0.000 2.502 267 L HA 0.339 4.679 4.340 0.001 0.000 0.247 267 L C -2.384 174.389 176.870 -0.163 0.000 1.180 267 L CA -1.533 53.237 54.840 -0.117 0.000 0.956 267 L CB 1.006 42.899 42.059 -0.276 0.000 1.282 267 L HN 0.259 nan 8.230 nan 0.000 0.470 268 P HA 0.060 nan 4.420 nan 0.000 0.271 268 P C -0.746 176.004 177.300 -0.917 0.000 1.218 268 P CA -0.244 62.358 63.100 -0.830 0.000 0.780 268 P CB 0.493 31.617 31.700 -0.960 0.000 0.901 269 N N 1.185 118.910 118.700 -1.625 0.000 2.411 269 N HA 0.305 5.046 4.740 0.001 0.000 0.259 269 N C 0.709 175.582 175.510 -1.063 0.000 1.103 269 N CA 0.154 52.501 53.050 -1.172 0.000 0.954 269 N CB 0.568 38.287 38.487 -1.280 0.000 1.085 269 N HN 0.455 nan 8.380 nan 0.000 0.485 270 G N 0.840 108.682 108.800 -1.597 0.000 2.537 270 G HA2 0.656 4.616 3.960 0.001 0.000 0.297 270 G HA3 0.656 4.616 3.960 0.001 0.000 0.297 270 G C -0.475 173.843 174.900 -0.970 0.000 1.310 270 G CA -0.280 44.033 45.100 -1.312 0.000 1.027 270 G HN 0.357 nan 8.290 nan 0.000 0.505 271 L N -1.297 119.635 121.223 -0.484 0.000 2.283 271 L HA 0.426 4.766 4.340 0.001 0.000 0.259 271 L C -0.126 176.822 176.870 0.130 0.000 1.027 271 L CA -0.931 53.916 54.840 0.012 0.000 0.828 271 L CB 1.813 43.999 42.059 0.212 0.000 1.380 271 L HN 0.360 nan 8.230 nan 0.000 0.425 272 N N -0.436 118.428 118.700 0.274 0.000 2.968 272 N HA 0.190 4.931 4.740 0.001 0.000 0.271 272 N C 0.885 176.529 175.510 0.223 0.000 1.174 272 N CA 0.018 53.201 53.050 0.223 0.000 1.096 272 N CB 0.404 38.965 38.487 0.122 0.000 1.403 272 N HN 0.458 nan 8.380 nan 0.000 0.522 273 V N 2.010 122.061 119.914 0.229 0.000 2.453 273 V HA -0.272 3.849 4.120 0.001 0.000 0.252 273 V C 2.177 178.426 176.094 0.257 0.000 1.068 273 V CA 1.375 63.845 62.300 0.283 0.000 1.070 273 V CB -0.576 31.334 31.823 0.145 0.000 0.664 273 V HN 0.696 nan 8.190 nan 0.000 0.461 274 I N 0.369 121.022 120.570 0.137 0.000 2.423 274 I HA -0.290 3.880 4.170 0.001 0.000 0.254 274 I C 2.441 178.580 176.117 0.036 0.000 1.151 274 I CA 1.899 63.246 61.300 0.078 0.000 1.421 274 I CB -0.190 37.832 38.000 0.037 0.000 1.079 274 I HN 0.331 nan 8.210 nan 0.000 0.431 275 K N 0.090 120.477 120.400 -0.021 0.000 2.555 275 K HA -0.118 4.202 4.320 0.001 0.000 0.193 275 K C 1.102 177.447 176.600 -0.426 0.000 1.032 275 K CA 1.024 57.170 56.287 -0.236 0.000 1.004 275 K CB -0.006 32.295 32.500 -0.333 0.000 0.804 275 K HN 0.319 nan 8.250 nan 0.000 0.496 276 F N 0.418 120.376 119.950 0.013 0.000 2.482 276 F HA 0.192 4.719 4.527 0.001 0.000 0.278 276 F C 1.104 176.912 175.800 0.015 0.000 0.969 276 F CA -0.265 57.745 58.000 0.017 0.000 1.223 276 F CB -0.170 38.846 39.000 0.025 0.000 1.140 276 F HN -0.125 nan 8.300 nan 0.000 0.672 286 H N 1.174 120.252 119.070 0.012 0.000 2.353 286 H HA -0.115 4.442 4.556 0.001 0.000 0.298 286 H C 1.813 177.148 175.328 0.012 0.000 1.103 286 H CA 2.644 58.692 56.048 0.000 0.000 1.293 286 H CB 0.191 29.963 29.762 0.016 0.000 1.372 286 H HN 0.417 nan 8.280 nan 0.000 0.501 287 A N 0.741 123.548 122.820 -0.022 0.000 1.877 287 A HA -0.124 4.197 4.320 0.001 0.000 0.216 287 A C 2.432 179.967 177.584 -0.081 0.000 1.186 287 A CA 1.531 53.535 52.037 -0.055 0.000 0.620 287 A CB -1.055 17.988 19.000 0.072 0.000 0.822 287 A HN 0.497 nan 8.150 nan 0.000 0.443 288 L N -0.976 120.225 121.223 -0.037 0.000 2.129 288 L HA -0.151 4.190 4.340 0.001 0.000 0.212 288 L C 1.969 178.804 176.870 -0.059 0.000 1.087 288 L CA 2.313 57.135 54.840 -0.030 0.000 0.757 288 L CB -0.305 41.748 42.059 -0.010 0.000 0.896 288 L HN 0.195 nan 8.230 nan 0.000 0.434 289 K N -0.709 119.627 120.400 -0.107 0.000 2.242 289 K HA 0.015 4.335 4.320 0.001 0.000 0.200 289 K C 2.028 178.532 176.600 -0.161 0.000 1.050 289 K CA 0.636 56.850 56.287 -0.123 0.000 0.981 289 K CB -0.186 32.236 32.500 -0.130 0.000 0.795 289 K HN 0.147 nan 8.250 nan 0.000 0.477 290 K N 0.898 121.149 120.400 -0.249 0.000 2.103 290 K HA -0.175 4.146 4.320 0.001 0.000 0.207 290 K C 1.474 178.075 176.600 0.002 0.000 1.048 290 K CA 1.266 57.453 56.287 -0.168 0.000 0.930 290 K CB 0.164 32.495 32.500 -0.282 0.000 0.716 290 K HN 0.039 nan 8.250 nan 0.000 0.444 291 E N 0.783 120.977 120.200 -0.010 0.000 2.110 291 E HA -0.152 4.198 4.350 0.001 0.000 0.193 291 E C 1.874 178.496 176.600 0.036 0.000 0.988 291 E CA 0.933 57.355 56.400 0.037 0.000 0.804 291 E CB 0.088 29.801 29.700 0.023 0.000 0.745 291 E HN 0.215 nan 8.360 nan 0.000 0.458 292 K N 0.375 120.775 120.400 0.000 0.000 2.097 292 K HA -0.075 4.246 4.320 0.001 0.000 0.206 292 K C 2.261 178.876 176.600 0.025 0.000 1.049 292 K CA 0.679 56.967 56.287 0.001 0.000 0.933 292 K CB -0.184 32.298 32.500 -0.030 0.000 0.717 292 K HN 0.234 nan 8.250 nan 0.000 0.442 293 I N 1.357 121.925 120.570 -0.004 0.000 2.286 293 I HA -0.244 3.926 4.170 0.001 0.000 0.245 293 I C 1.810 178.008 176.117 0.136 0.000 1.104 293 I CA 0.683 61.974 61.300 -0.015 0.000 1.397 293 I CB -0.378 37.447 38.000 -0.291 0.000 1.072 293 I HN 0.116 nan 8.210 nan 0.000 0.417 294 N N 1.322 120.137 118.700 0.192 0.000 2.036 294 N HA -0.224 4.516 4.740 0.001 0.000 0.195 294 N C 1.448 177.039 175.510 0.135 0.000 1.037 294 N CA 1.669 54.865 53.050 0.244 0.000 0.855 294 N CB -0.624 37.991 38.487 0.212 0.000 1.033 294 N HN 0.290 nan 8.380 nan 0.000 0.423 295 D N 0.035 120.497 120.400 0.102 0.000 2.172 295 D HA -0.173 4.468 4.640 0.001 0.000 0.196 295 D C 1.754 178.110 176.300 0.094 0.000 0.999 295 D CA 0.664 54.705 54.000 0.068 0.000 0.856 295 D CB -0.394 40.440 40.800 0.056 0.000 0.934 295 D HN 0.287 nan 8.370 nan 0.000 0.453 296 F N 1.228 121.196 119.950 0.029 0.000 2.128 296 F HA -0.139 4.388 4.527 0.001 0.000 0.295 296 F C 2.126 178.021 175.800 0.159 0.000 1.100 296 F CA 0.826 58.861 58.000 0.058 0.000 1.260 296 F CB -0.446 38.569 39.000 0.025 0.000 1.009 296 F HN -0.216 nan 8.300 nan 0.000 0.476 297 V N 1.522 121.377 119.914 -0.099 0.000 2.469 297 V HA -0.291 3.829 4.120 0.001 0.000 0.251 297 V C 2.525 178.539 176.094 -0.133 0.000 1.064 297 V CA 2.202 64.465 62.300 -0.062 0.000 1.066 297 V CB -0.828 31.144 31.823 0.249 0.000 0.667 297 V HN 0.334 nan 8.190 nan 0.000 0.461 298 R N 0.116 120.462 120.500 -0.257 0.000 2.073 298 R HA -0.023 4.318 4.340 0.001 0.000 0.229 298 R C 2.477 178.658 176.300 -0.199 0.000 1.120 298 R CA 1.265 57.103 56.100 -0.436 0.000 0.967 298 R CB -0.697 29.391 30.300 -0.352 0.000 0.862 298 R HN 0.569 nan 8.270 nan 0.000 0.436 299 G N -0.161 108.568 108.800 -0.118 0.000 2.471 299 G HA2 -0.248 3.713 3.960 0.001 0.000 0.219 299 G HA3 -0.248 3.713 3.960 0.001 0.000 0.219 299 G C 1.181 176.101 174.900 0.033 0.000 1.125 299 G CA 0.454 45.534 45.100 -0.034 0.000 0.775 299 G HN 0.361 nan 8.290 nan 0.000 0.548 300 H N -0.793 118.143 119.070 -0.223 0.000 2.418 300 H HA 0.149 4.705 4.556 0.001 0.000 0.300 300 H C 0.923 176.077 175.328 -0.290 0.000 1.041 300 H CA 0.330 56.209 56.048 -0.282 0.000 1.364 300 H CB 0.234 29.627 29.762 -0.615 0.000 1.439 300 H HN 0.376 nan 8.280 nan 0.000 0.540 301 F N 1.711 121.546 119.950 -0.193 0.000 2.664 301 F HA 0.069 4.597 4.527 0.001 0.000 0.301 301 F C 0.538 176.210 175.800 -0.214 0.000 1.126 301 F CA -0.549 57.343 58.000 -0.181 0.000 1.373 301 F CB -0.354 38.644 39.000 -0.002 0.000 1.042 301 F HN 0.277 nan 8.300 nan 0.000 0.535 302 H N -1.171 117.875 119.070 -0.040 0.000 3.016 302 H HA 0.331 4.888 4.556 0.002 0.000 0.345 302 H C 1.376 176.708 175.328 0.007 0.000 1.066 302 H CA -0.166 55.863 56.048 -0.032 0.000 1.390 302 H CB 0.271 29.995 29.762 -0.063 0.000 1.344 302 H HN 0.302 nan 8.280 nan 0.000 0.605 303 G N 1.490 110.368 108.800 0.130 0.000 2.212 303 G HA2 -0.345 3.616 3.960 0.001 0.000 0.266 303 G HA3 -0.345 3.616 3.960 0.001 0.000 0.266 303 G C 0.488 175.411 174.900 0.038 0.000 0.978 303 G CA 0.552 45.699 45.100 0.078 0.000 0.632 303 G HN 1.732 nan 8.290 nan 0.000 0.537 304 C N -3.132 116.208 119.300 0.067 0.000 3.173 304 C HA 0.625 5.086 4.460 0.001 0.000 0.209 304 C C -0.306 174.816 174.990 0.221 0.000 1.229 304 C CA -1.411 57.675 59.018 0.115 0.000 1.109 304 C CB -1.008 26.784 27.740 0.086 0.000 1.833 304 C HN 0.880 nan 8.230 nan 0.000 0.626 305 F N 4.248 124.170 119.950 -0.047 0.000 2.425 305 F HA 0.454 4.981 4.527 0.001 0.000 0.354 305 F C 0.600 176.219 175.800 -0.301 0.000 1.162 305 F CA -0.852 57.008 58.000 -0.232 0.000 1.250 305 F CB 0.256 39.128 39.000 -0.214 0.000 1.579 305 F HN 0.635 nan 8.300 nan 0.000 0.589 306 D N 2.723 122.951 120.400 -0.287 0.000 2.424 306 D HA 0.143 4.784 4.640 0.001 0.000 0.220 306 D C -0.358 175.824 176.300 -0.196 0.000 1.150 306 D CA -0.045 53.832 54.000 -0.204 0.000 0.831 306 D CB -0.676 40.138 40.800 0.023 0.000 0.981 306 D HN 0.169 nan 8.370 nan 0.000 0.500 307 F N -1.874 117.833 119.950 -0.406 0.000 2.629 307 F HA 0.603 5.131 4.527 0.001 0.000 0.316 307 F C -0.767 174.803 175.800 -0.383 0.000 1.081 307 F CA -1.794 56.025 58.000 -0.301 0.000 0.954 307 F CB 0.981 39.874 39.000 -0.177 0.000 1.337 307 F HN -0.350 nan 8.300 nan 0.000 0.474 308 D N 1.671 122.074 120.400 0.004 0.000 2.347 308 D HA 0.293 4.934 4.640 0.001 0.000 0.235 308 D C 0.907 177.256 176.300 0.081 0.000 1.149 308 D CA -0.125 53.845 54.000 -0.049 0.000 0.850 308 D CB 1.066 41.840 40.800 -0.044 0.000 1.061 308 D HN 0.686 nan 8.370 nan 0.000 0.487 309 L N 2.465 123.757 121.223 0.115 0.000 2.187 309 L HA -0.130 4.210 4.340 0.001 0.000 0.213 309 L C 1.129 178.056 176.870 0.095 0.000 1.100 309 L CA 0.867 55.823 54.840 0.193 0.000 0.765 309 L CB -0.066 42.158 42.059 0.275 0.000 0.904 309 L HN 0.411 nan 8.230 nan 0.000 0.437 310 D N -0.284 120.151 120.400 0.058 0.000 2.378 310 D HA -0.104 4.536 4.640 0.001 0.000 0.227 310 D C 0.937 177.232 176.300 -0.008 0.000 1.012 310 D CA 0.835 54.854 54.000 0.032 0.000 0.905 310 D CB -0.043 40.770 40.800 0.021 0.000 0.895 310 D HN 0.196 nan 8.370 nan 0.000 0.532 311 N N -0.465 118.225 118.700 -0.017 0.000 2.387 311 N HA 0.002 4.742 4.740 0.001 0.000 0.259 311 N C -1.191 174.266 175.510 -0.088 0.000 1.369 311 N CA -0.066 52.949 53.050 -0.057 0.000 0.867 311 N CB 0.785 39.245 38.487 -0.045 0.000 1.341 311 N HN -0.049 nan 8.380 nan 0.000 0.495 312 T N -1.604 112.887 114.554 -0.104 0.000 2.863 312 T HA 0.642 4.993 4.350 0.001 0.000 0.285 312 T C -0.403 174.104 174.700 -0.321 0.000 1.009 312 T CA -0.712 61.271 62.100 -0.194 0.000 0.989 312 T CB 1.376 70.164 68.868 -0.133 0.000 1.004 312 T HN -0.052 nan 8.240 nan 0.000 0.455 313 L N 2.571 123.607 121.223 -0.312 0.000 2.334 313 L HA 0.507 4.848 4.340 0.001 0.000 0.276 313 L C -1.031 175.844 176.870 0.008 0.000 1.014 313 L CA -1.303 53.430 54.840 -0.179 0.000 0.815 313 L CB 1.448 43.461 42.059 -0.076 0.000 1.268 313 L HN 0.678 nan 8.230 nan 0.000 0.428 314 Y N 2.135 122.826 120.300 0.651 0.000 2.353 314 Y HA 0.440 4.991 4.550 0.001 0.000 0.340 314 Y C -0.165 176.169 175.900 0.723 0.000 0.972 314 Y CA -0.721 57.721 58.100 0.570 0.000 1.157 314 Y CB 0.722 39.489 38.460 0.511 0.000 1.157 314 Y HN 0.217 nan 8.280 nan 0.000 0.495 315 F N 4.653 124.917 119.950 0.523 0.000 2.425 315 F HA 0.568 5.095 4.527 0.001 0.000 0.331 315 F C -0.251 175.885 175.800 0.560 0.000 1.085 315 F CA -2.163 56.063 58.000 0.376 0.000 1.028 315 F CB 1.187 40.352 39.000 0.275 0.000 1.177 315 F HN 0.355 nan 8.300 nan 0.000 0.487 316 F N 2.842 122.998 119.950 0.343 0.000 2.615 316 F HA 0.701 5.228 4.527 0.001 0.000 0.312 316 F C -1.984 173.700 175.800 -0.194 0.000 1.119 316 F CA -1.076 57.073 58.000 0.249 0.000 0.979 316 F CB 1.201 40.417 39.000 0.361 0.000 1.266 316 F HN 0.391 nan 8.300 nan 0.000 0.444 317 I N 3.705 124.161 120.570 -0.190 0.000 2.530 317 I HA 0.916 5.087 4.170 0.001 0.000 0.297 317 I C -1.140 175.130 176.117 0.255 0.000 1.011 317 I CA -0.706 60.373 61.300 -0.369 0.000 1.107 317 I CB 1.668 39.109 38.000 -0.933 0.000 1.285 317 I HN 1.111 nan 8.210 nan 0.000 0.436 318 A N 4.394 127.481 122.820 0.445 0.000 2.593 318 A HA 0.988 5.309 4.320 0.001 0.000 0.290 318 A C -0.346 177.421 177.584 0.305 0.000 1.126 318 A CA 0.022 52.339 52.037 0.467 0.000 0.695 318 A CB 1.329 20.802 19.000 0.787 0.000 1.290 318 A HN 1.411 nan 8.150 nan 0.000 0.414 319 G N -0.292 108.630 108.800 0.204 0.000 2.318 319 G HA2 0.207 4.168 3.960 0.001 0.000 0.367 319 G HA3 0.207 4.168 3.960 0.001 0.000 0.367 319 G C -0.538 174.443 174.900 0.134 0.000 1.260 319 G CA -0.378 44.811 45.100 0.149 0.000 1.055 319 G HN 0.833 nan 8.290 nan 0.000 0.484 320 R N -0.640 119.953 120.500 0.156 0.000 2.643 320 R HA 0.223 4.563 4.340 0.001 0.000 0.270 320 R C -0.521 175.900 176.300 0.203 0.000 1.061 320 R CA -0.414 55.792 56.100 0.178 0.000 1.107 320 R CB 0.146 30.546 30.300 0.166 0.000 0.999 320 R HN 0.510 nan 8.270 nan 0.000 0.460 321 Y N 3.513 123.856 120.300 0.072 0.000 2.568 321 Y HA 0.077 4.627 4.550 0.001 0.000 0.338 321 Y C -0.706 175.256 175.900 0.102 0.000 1.245 321 Y CA -0.275 57.877 58.100 0.087 0.000 1.667 321 Y CB -0.070 38.435 38.460 0.074 0.000 1.568 321 Y HN 0.489 nan 8.280 nan 0.000 0.471 322 E N 5.122 125.560 120.200 0.396 0.000 2.376 322 E HA -0.004 4.347 4.350 0.001 0.000 0.236 322 E C 0.238 177.030 176.600 0.321 0.000 0.962 322 E CA -0.385 56.203 56.400 0.314 0.000 0.768 322 E CB 0.521 30.340 29.700 0.199 0.000 1.236 322 E HN 0.770 nan 8.360 nan 0.000 0.431 323 Y N 3.837 124.320 120.300 0.305 0.000 2.002 323 Y HA -0.419 4.131 4.550 0.001 0.000 0.268 323 Y C 2.278 178.265 175.900 0.145 0.000 1.177 323 Y CA 2.287 60.520 58.100 0.223 0.000 1.111 323 Y CB 0.190 38.798 38.460 0.247 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 -0.149 4.172 4.320 0.001 0.000 0.208 324 K C 1.663 178.321 176.600 0.097 0.000 1.048 324 K CA 2.102 58.405 56.287 0.026 0.000 0.932 324 K CB -0.463 32.124 32.500 0.144 0.000 0.715 324 K HN 0.347 nan 8.250 nan 0.000 0.437 325 N N 0.460 119.266 118.700 0.177 0.000 2.188 325 N HA -0.087 4.654 4.740 0.001 0.000 0.184 325 N C 1.237 176.854 175.510 0.179 0.000 1.018 325 N CA 0.866 54.056 53.050 0.234 0.000 0.858 325 N CB -0.037 38.583 38.487 0.221 0.000 0.989 325 N HN 0.094 nan 8.380 nan 0.000 0.426 326 K N 0.018 120.491 120.400 0.122 0.000 2.366 326 K HA 0.098 4.419 4.320 0.001 0.000 0.198 326 K C 0.704 177.334 176.600 0.049 0.000 1.044 326 K CA 0.447 56.786 56.287 0.088 0.000 0.973 326 K CB -0.292 32.257 32.500 0.081 0.000 0.767 326 K HN 0.306 nan 8.250 nan 0.000 0.475 327 G N 0.618 109.425 108.800 0.012 0.000 2.171 327 G HA2 -0.289 3.672 3.960 0.001 0.000 0.238 327 G HA3 -0.289 3.672 3.960 0.001 0.000 0.238 327 G C 0.951 175.803 174.900 -0.081 0.000 1.039 327 G CA 0.579 45.661 45.100 -0.031 0.000 0.759 327 G HN 0.356 nan 8.290 nan 0.000 0.501 328 A N 0.695 123.412 122.820 -0.172 0.000 1.877 328 A HA 0.045 4.366 4.320 0.001 0.000 0.216 328 A C 2.321 179.817 177.584 -0.147 0.000 1.186 328 A CA 2.377 54.333 52.037 -0.134 0.000 0.620 328 A CB -0.456 18.463 19.000 -0.134 0.000 0.822 328 A HN 0.989 nan 8.150 nan 0.000 0.443 329 D N 0.125 120.206 120.400 -0.532 0.000 2.137 329 D HA -0.290 4.350 4.640 0.001 0.000 0.189 329 D C 1.867 178.115 176.300 -0.086 0.000 0.998 329 D CA 2.053 55.856 54.000 -0.329 0.000 0.839 329 D CB -0.909 39.617 40.800 -0.458 0.000 0.962 329 D HN 0.445 nan 8.370 nan 0.000 0.446 330 M N -1.145 118.409 119.600 -0.077 0.000 2.106 330 M HA -0.111 4.370 4.480 0.001 0.000 0.259 330 M C 2.173 178.495 176.300 0.038 0.000 1.068 330 M CA 1.339 56.632 55.300 -0.013 0.000 1.100 330 M CB -0.322 32.277 32.600 -0.002 0.000 1.351 330 M HN 0.024 nan 8.290 nan 0.000 0.404 331 F N 1.271 121.169 119.950 -0.086 0.000 2.026 331 F HA -0.249 4.279 4.527 0.001 0.000 0.296 331 F C 1.973 177.751 175.800 -0.037 0.000 1.133 331 F CA 1.830 59.789 58.000 -0.067 0.000 1.188 331 F CB -0.542 38.410 39.000 -0.080 0.000 0.968 331 F HN -0.026 nan 8.300 nan 0.000 0.476 332 I N 0.241 120.806 120.570 -0.008 0.000 2.118 332 I HA -0.331 3.839 4.170 0.001 0.000 0.241 332 I C 2.437 178.475 176.117 -0.133 0.000 1.070 332 I CA 1.949 63.182 61.300 -0.111 0.000 1.327 332 I CB -0.653 37.353 38.000 0.010 0.000 1.034 332 I HN 0.213 nan 8.210 nan 0.000 0.405 333 E N 1.373 121.533 120.200 -0.067 0.000 2.049 333 E HA -0.258 4.093 4.350 0.001 0.000 0.198 333 E C 2.131 178.681 176.600 -0.083 0.000 1.007 333 E CA 1.980 58.345 56.400 -0.058 0.000 0.809 333 E CB -0.337 29.346 29.700 -0.029 0.000 0.749 333 E HN 0.424 nan 8.360 nan 0.000 0.450 334 A N -0.131 122.633 122.820 -0.094 0.000 1.978 334 A HA -0.147 4.173 4.320 0.001 0.000 0.220 334 A C 2.236 179.748 177.584 -0.119 0.000 1.170 334 A CA 1.515 53.500 52.037 -0.088 0.000 0.636 334 A CB -0.654 18.307 19.000 -0.066 0.000 0.810 334 A HN 0.337 nan 8.150 nan 0.000 0.448 335 L N -0.817 120.277 121.223 -0.214 0.000 2.072 335 L HA -0.081 4.259 4.340 0.001 0.000 0.205 335 L C 3.032 179.829 176.870 -0.123 0.000 1.079 335 L CA 1.352 56.065 54.840 -0.212 0.000 0.752 335 L CB -0.550 41.292 42.059 -0.361 0.000 0.906 335 L HN 0.368 nan 8.230 nan 0.000 0.436 336 A N -0.096 122.659 122.820 -0.109 0.000 1.927 336 A HA -0.295 4.026 4.320 0.001 0.000 0.220 336 A C 2.417 179.994 177.584 -0.010 0.000 1.185 336 A CA 2.190 54.192 52.037 -0.059 0.000 0.639 336 A CB -0.564 18.403 19.000 -0.055 0.000 0.820 336 A HN 0.347 nan 8.150 nan 0.000 0.451 337 R N -1.008 119.477 120.500 -0.025 0.000 2.090 337 R HA 0.086 4.427 4.340 0.001 0.000 0.228 337 R C 2.067 178.382 176.300 0.026 0.000 1.110 337 R CA 0.916 57.010 56.100 -0.009 0.000 0.973 337 R CB -0.309 29.960 30.300 -0.051 0.000 0.869 337 R HN 0.494 nan 8.270 nan 0.000 0.440 338 L N 1.231 122.454 121.223 -0.000 0.000 2.376 338 L HA -0.104 4.236 4.340 0.001 0.000 0.219 338 L C 1.294 178.169 176.870 0.007 0.000 1.133 338 L CA 1.477 56.324 54.840 0.011 0.000 0.816 338 L CB -0.520 41.542 42.059 0.005 0.000 0.933 338 L HN 0.203 nan 8.230 nan 0.000 0.449 339 N N -0.290 118.414 118.700 0.006 0.000 2.083 339 N HA -0.253 4.488 4.740 0.001 0.000 0.190 339 N C 1.828 177.364 175.510 0.044 0.000 1.047 339 N CA 1.751 54.800 53.050 -0.003 0.000 0.845 339 N CB -0.577 37.903 38.487 -0.013 0.000 1.025 339 N HN 0.318 nan 8.380 nan 0.000 0.428 340 Y N 1.720 121.996 120.300 -0.041 0.000 1.938 340 Y HA -0.355 4.195 4.550 0.001 0.000 0.253 340 Y C 2.360 178.242 175.900 -0.029 0.000 1.163 340 Y CA 2.479 60.561 58.100 -0.030 0.000 1.086 340 Y CB -0.272 38.172 38.460 -0.026 0.000 0.928 340 Y HN 0.110 nan 8.280 nan 0.000 0.493 341 R N -0.094 120.593 120.500 0.313 0.000 2.185 341 R HA -0.229 4.112 4.340 0.001 0.000 0.247 341 R C 2.109 178.448 176.300 0.065 0.000 1.159 341 R CA 1.777 57.987 56.100 0.182 0.000 0.988 341 R CB -0.623 29.739 30.300 0.103 0.000 0.871 341 R HN 0.469 nan 8.270 nan 0.000 0.458 342 L N 0.089 121.325 121.223 0.021 0.000 2.477 342 L HA -0.017 4.324 4.340 0.001 0.000 0.220 342 L C 2.123 178.964 176.870 -0.049 0.000 1.106 342 L CA 0.585 55.411 54.840 -0.023 0.000 0.851 342 L CB 0.002 42.034 42.059 -0.045 0.000 0.994 342 L HN 0.103 nan 8.230 nan 0.000 0.462 343 K N -0.345 120.012 120.400 -0.072 0.000 2.029 343 K HA -0.030 4.291 4.320 0.001 0.000 0.205 343 K C 2.033 178.567 176.600 -0.109 0.000 1.042 343 K CA 0.787 57.010 56.287 -0.106 0.000 0.949 343 K CB -0.278 32.128 32.500 -0.156 0.000 0.740 343 K HN 0.004 nan 8.250 nan 0.000 0.442 344 V N 2.445 122.276 119.914 -0.139 0.000 2.220 344 V HA -0.291 3.830 4.120 0.001 0.000 0.250 344 V C 2.408 178.482 176.094 -0.033 0.000 1.056 344 V CA 2.464 64.713 62.300 -0.085 0.000 1.016 344 V CB -0.812 30.996 31.823 -0.024 0.000 0.639 344 V HN 0.503 nan 8.190 nan 0.000 0.446 345 S N 0.760 116.454 115.700 -0.010 0.000 2.641 345 S HA 0.033 4.503 4.470 0.001 0.000 0.239 345 S C 1.380 175.965 174.600 -0.024 0.000 0.972 345 S CA 0.601 58.796 58.200 -0.009 0.000 0.954 345 S CB -1.239 61.961 63.200 0.000 0.000 0.767 345 S HN 1.488 nan 8.310 nan 0.000 0.539 346 G N 1.107 109.884 108.800 -0.037 0.000 2.357 346 G HA2 -0.239 3.721 3.960 0.001 0.000 0.282 346 G HA3 -0.239 3.721 3.960 0.001 0.000 0.282 346 G C -0.082 174.794 174.900 -0.040 0.000 0.910 346 G CA 0.576 45.651 45.100 -0.042 0.000 1.267 346 G HN 0.818 nan 8.290 nan 0.000 0.476 347 S N -0.666 115.007 115.700 -0.045 0.000 2.610 347 S HA 0.509 4.980 4.470 0.001 0.000 0.273 347 S C 1.695 176.262 174.600 -0.055 0.000 1.274 347 S CA 0.065 58.236 58.200 -0.048 0.000 1.023 347 S CB 0.641 63.810 63.200 -0.052 0.000 0.962 347 S HN 0.626 nan 8.310 nan 0.000 0.523 348 K N 2.276 122.644 120.400 -0.054 0.000 2.365 348 K HA 0.184 4.505 4.320 0.001 0.000 0.197 348 K C 0.362 176.923 176.600 -0.064 0.000 1.042 348 K CA 0.595 56.851 56.287 -0.053 0.000 0.987 348 K CB 0.028 32.499 32.500 -0.048 0.000 0.779 348 K HN 0.284 nan 8.250 nan 0.000 0.484 349 K N 0.942 121.292 120.400 -0.083 0.000 2.132 349 K HA 0.307 4.628 4.320 0.001 0.000 0.241 349 K C -0.668 175.840 176.600 -0.153 0.000 1.000 349 K CA -0.617 55.603 56.287 -0.110 0.000 0.911 349 K CB 1.662 34.090 32.500 -0.120 0.000 1.093 349 K HN -0.139 nan 8.250 nan 0.000 0.460 350 T N 0.357 114.786 114.554 -0.208 0.000 2.921 350 T HA 0.292 4.642 4.350 0.001 0.000 0.297 350 T C -1.086 173.399 174.700 -0.358 0.000 1.013 350 T CA -0.727 61.176 62.100 -0.329 0.000 0.990 350 T CB 1.571 70.123 68.868 -0.528 0.000 1.023 350 T HN 0.135 nan 8.240 nan 0.000 0.447 351 V N 3.592 123.279 119.914 -0.377 0.000 2.357 351 V HA 0.415 4.535 4.120 0.001 0.000 0.284 351 V C -0.204 175.709 176.094 -0.301 0.000 1.018 351 V CA -0.652 61.394 62.300 -0.422 0.000 0.841 351 V CB 1.539 32.980 31.823 -0.637 0.000 0.991 351 V HN 0.774 nan 8.190 nan 0.000 0.437 352 V N 4.642 124.476 119.914 -0.133 0.000 2.370 352 V HA 0.761 4.882 4.120 0.001 0.000 0.279 352 V C 0.426 176.569 176.094 0.082 0.000 1.029 352 V CA -0.405 61.895 62.300 -0.000 0.000 0.870 352 V CB 1.464 33.406 31.823 0.198 0.000 0.984 352 V HN 0.923 nan 8.190 nan 0.000 0.451 353 A N 5.454 128.268 122.820 -0.010 0.000 2.311 353 A HA 0.843 5.164 4.320 0.001 0.000 0.306 353 A C -0.938 176.746 177.584 0.167 0.000 1.189 353 A CA -0.393 51.778 52.037 0.223 0.000 0.791 353 A CB 0.458 19.610 19.000 0.254 0.000 1.172 353 A HN 0.612 nan 8.150 nan 0.000 0.481 354 F N 1.899 122.161 119.950 0.520 0.000 2.394 354 F HA 0.502 5.030 4.527 0.001 0.000 0.340 354 F C 0.424 176.477 175.800 0.422 0.000 1.105 354 F CA -0.322 57.947 58.000 0.448 0.000 1.124 354 F CB 1.505 40.785 39.000 0.466 0.000 1.145 354 F HN 0.351 nan 8.300 nan 0.000 0.505 355 I N 4.327 125.216 120.570 0.533 0.000 2.388 355 I HA 0.210 4.381 4.170 0.001 0.000 0.281 355 I C -0.887 175.498 176.117 0.446 0.000 1.046 355 I CA -0.580 60.958 61.300 0.396 0.000 1.187 355 I CB 1.045 39.186 38.000 0.235 0.000 1.351 355 I HN 0.231 nan 8.210 nan 0.000 0.472 356 V N 7.715 127.831 119.914 0.336 0.000 2.299 356 V HA 0.362 4.482 4.120 0.001 0.000 0.255 356 V C 0.223 176.395 176.094 0.131 0.000 1.100 356 V CA 0.176 62.608 62.300 0.220 0.000 0.938 356 V CB 0.099 32.011 31.823 0.149 0.000 1.139 356 V HN 0.663 nan 8.190 nan 0.000 0.490 357 M N 6.686 126.337 119.600 0.083 0.000 2.238 357 M HA 0.401 4.882 4.480 0.001 0.000 0.278 357 M C -2.960 173.275 176.300 -0.108 0.000 1.040 357 M CA -1.566 53.711 55.300 -0.038 0.000 0.969 357 M CB 3.608 36.151 32.600 -0.095 0.000 1.694 357 M HN 0.212 nan 8.290 nan 0.000 0.472 358 P HA 0.368 nan 4.420 nan 0.000 0.276 358 P C -1.269 176.032 177.300 0.002 0.000 1.243 358 P CA -0.104 62.772 63.100 -0.373 0.000 0.768 358 P CB 0.796 32.105 31.700 -0.652 0.000 0.856 359 A N 3.123 125.917 122.820 -0.043 0.000 2.485 359 A HA 0.562 4.883 4.320 0.001 0.000 0.292 359 A C -0.543 177.004 177.584 -0.061 0.000 1.147 359 A CA -0.844 51.248 52.037 0.091 0.000 0.750 359 A CB 1.118 20.285 19.000 0.278 0.000 1.331 359 A HN 0.262 nan 8.150 nan 0.000 0.419 360 K N 1.572 121.951 120.400 -0.035 0.000 2.419 360 K HA 0.104 4.425 4.320 0.001 0.000 0.282 360 K C -0.370 176.181 176.600 -0.081 0.000 1.056 360 K CA 0.533 56.785 56.287 -0.058 0.000 1.035 360 K CB -0.285 32.193 32.500 -0.037 0.000 0.921 360 K HN 0.860 nan 8.250 nan 0.000 0.472 361 N N 0.590 119.217 118.700 -0.121 0.000 2.647 361 N HA 0.254 4.995 4.740 0.001 0.000 0.266 361 N C -0.785 174.669 175.510 -0.093 0.000 1.373 361 N CA -0.909 52.064 53.050 -0.129 0.000 0.807 361 N CB 0.943 39.273 38.487 -0.262 0.000 1.513 361 N HN 0.073 nan 8.380 nan 0.000 0.505 362 N N 0.792 119.458 118.700 -0.057 0.000 2.908 362 N HA 0.201 4.941 4.740 0.001 0.000 0.316 362 N C -0.721 174.761 175.510 -0.046 0.000 1.619 362 N CA 0.134 53.159 53.050 -0.042 0.000 1.045 362 N CB 0.091 38.569 38.487 -0.016 0.000 1.357 362 N HN 0.693 nan 8.380 nan 0.000 0.501 363 S N -0.132 115.514 115.700 -0.090 0.000 3.109 363 S HA -0.271 4.200 4.470 0.001 0.000 0.632 363 S C -0.148 174.316 174.600 -0.225 0.000 2.927 363 S CA 0.407 58.487 58.200 -0.201 0.000 3.233 363 S CB -0.728 62.378 63.200 -0.157 0.000 0.325 363 S HN 0.304 nan 8.310 nan 0.000 1.720 364 F N 1.940 121.847 119.950 -0.072 0.000 2.382 364 F HA 0.405 4.933 4.527 0.001 0.000 0.331 364 F C 1.340 177.082 175.800 -0.097 0.000 1.121 364 F CA 0.307 58.167 58.000 -0.233 0.000 1.183 364 F CB 0.426 39.307 39.000 -0.197 0.000 1.207 364 F HN 0.583 nan 8.300 nan 0.000 0.555 365 T N -0.770 113.855 114.554 0.117 0.000 2.901 365 T HA 0.172 4.523 4.350 0.001 0.000 0.301 365 T C 1.105 175.860 174.700 0.091 0.000 1.012 365 T CA -0.799 61.355 62.100 0.091 0.000 1.135 365 T CB 1.141 70.061 68.868 0.087 0.000 0.936 365 T HN 0.434 nan 8.240 nan 0.000 0.539 366 V N 2.530 122.484 119.914 0.067 0.000 2.278 366 V HA -0.238 3.882 4.120 0.001 0.000 0.251 366 V C 2.775 178.895 176.094 0.044 0.000 1.062 366 V CA 2.649 64.979 62.300 0.050 0.000 1.038 366 V CB -0.851 30.994 31.823 0.036 0.000 0.646 366 V HN 1.132 nan 8.190 nan 0.000 0.447 367 E N -0.343 119.885 120.200 0.047 0.000 2.033 367 E HA -0.287 4.064 4.350 0.001 0.000 0.199 367 E C 2.189 178.825 176.600 0.061 0.000 1.011 367 E CA 1.774 58.202 56.400 0.047 0.000 0.815 367 E CB -0.372 29.348 29.700 0.033 0.000 0.755 367 E HN 0.604 nan 8.360 nan 0.000 0.451 368 A N 0.425 123.297 122.820 0.086 0.000 2.019 368 A HA -0.142 4.179 4.320 0.001 0.000 0.219 368 A C 2.163 179.792 177.584 0.074 0.000 1.164 368 A CA 1.154 53.273 52.037 0.137 0.000 0.644 368 A CB -0.468 18.659 19.000 0.211 0.000 0.805 368 A HN 0.329 nan 8.150 nan 0.000 0.449 369 L N -1.126 120.113 121.223 0.026 0.000 2.162 369 L HA -0.081 4.260 4.340 0.001 0.000 0.205 369 L C 2.542 179.391 176.870 -0.034 0.000 1.086 369 L CA 1.446 56.267 54.840 -0.030 0.000 0.778 369 L CB -0.333 41.714 42.059 -0.020 0.000 0.928 369 L HN 0.436 nan 8.230 nan 0.000 0.446 370 K N 0.495 120.879 120.400 -0.026 0.000 2.032 370 K HA -0.186 4.134 4.320 0.001 0.000 0.209 370 K C 2.015 178.532 176.600 -0.137 0.000 1.048 370 K CA 1.616 57.862 56.287 -0.068 0.000 0.927 370 K CB -0.472 31.995 32.500 -0.054 0.000 0.712 370 K HN 0.299 nan 8.250 nan 0.000 0.441 371 G N 1.239 109.976 108.800 -0.105 0.000 2.719 371 G HA2 -0.349 3.611 3.960 0.001 0.000 0.219 371 G HA3 -0.349 3.611 3.960 0.001 0.000 0.219 371 G C 1.399 176.232 174.900 -0.110 0.000 1.234 371 G CA 1.209 46.234 45.100 -0.125 0.000 0.788 371 G HN 0.402 nan 8.290 nan 0.000 0.619 372 Q N 0.455 120.234 119.800 -0.036 0.000 2.119 372 Q HA 0.011 4.351 4.340 0.001 0.000 0.201 372 Q C 2.980 178.945 176.000 -0.058 0.000 0.972 372 Q CA 1.402 57.188 55.803 -0.029 0.000 0.847 372 Q CB -0.830 27.906 28.738 -0.004 0.000 0.903 372 Q HN 0.496 nan 8.270 nan 0.000 0.433 373 A N 1.917 124.694 122.820 -0.071 0.000 1.865 373 A HA -0.209 4.112 4.320 0.001 0.000 0.217 373 A C 2.056 179.593 177.584 -0.078 0.000 1.191 373 A CA 1.527 53.524 52.037 -0.068 0.000 0.623 373 A CB -0.339 18.622 19.000 -0.063 0.000 0.826 373 A HN 0.255 nan 8.150 nan 0.000 0.444 374 E N -0.264 119.864 120.200 -0.120 0.000 2.106 374 E HA -0.100 4.251 4.350 0.001 0.000 0.192 374 E C 2.111 178.654 176.600 -0.096 0.000 0.984 374 E CA 1.229 57.555 56.400 -0.123 0.000 0.806 374 E CB -0.584 28.998 29.700 -0.196 0.000 0.750 374 E HN 0.379 nan 8.360 nan 0.000 0.458 375 V N 1.124 120.976 119.914 -0.103 0.000 2.626 375 V HA -0.201 3.919 4.120 0.001 0.000 0.252 375 V C 2.388 178.460 176.094 -0.038 0.000 1.067 375 V CA 1.441 63.705 62.300 -0.061 0.000 1.081 375 V CB -0.396 31.394 31.823 -0.056 0.000 0.686 375 V HN 0.066 nan 8.190 nan 0.000 0.468 376 R N 0.113 120.588 120.500 -0.040 0.000 2.093 376 R HA 0.085 4.425 4.340 0.001 0.000 0.224 376 R C 2.274 178.560 176.300 -0.023 0.000 1.101 376 R CA 1.312 57.395 56.100 -0.028 0.000 0.979 376 R CB -0.596 29.686 30.300 -0.031 0.000 0.877 376 R HN 0.465 nan 8.270 nan 0.000 0.441 377 A N 0.640 123.443 122.820 -0.028 0.000 1.972 377 A HA -0.132 4.189 4.320 0.001 0.000 0.219 377 A C 2.060 179.640 177.584 -0.008 0.000 1.169 377 A CA 1.020 53.046 52.037 -0.018 0.000 0.635 377 A CB -0.614 18.371 19.000 -0.025 0.000 0.810 377 A HN 0.360 nan 8.150 nan 0.000 0.446 378 L N -0.479 120.737 121.223 -0.011 0.000 1.970 378 L HA -0.242 4.099 4.340 0.001 0.000 0.212 378 L C 2.585 179.465 176.870 0.016 0.000 1.071 378 L CA 2.257 57.098 54.840 0.002 0.000 0.751 378 L CB -0.551 41.507 42.059 -0.000 0.000 0.889 378 L HN 0.524 nan 8.230 nan 0.000 0.432 379 E N -0.210 119.998 120.200 0.013 0.000 2.065 379 E HA -0.279 4.072 4.350 0.001 0.000 0.201 379 E C 1.838 178.465 176.600 0.045 0.000 1.016 379 E CA 1.793 58.208 56.400 0.024 0.000 0.818 379 E CB -0.115 29.588 29.700 0.005 0.000 0.749 379 E HN 0.544 nan 8.360 nan 0.000 0.453 380 N N 0.084 118.800 118.700 0.028 0.000 2.013 380 N HA -0.143 4.598 4.740 0.001 0.000 0.195 380 N C 1.960 177.522 175.510 0.086 0.000 1.051 380 N CA 1.748 54.828 53.050 0.050 0.000 0.851 380 N CB -1.030 37.470 38.487 0.022 0.000 1.044 380 N HN 0.081 nan 8.380 nan 0.000 0.422 381 T N 1.526 116.109 114.554 0.049 0.000 2.665 381 T HA -0.104 4.247 4.350 0.001 0.000 0.268 381 T C 2.141 176.868 174.700 0.045 0.000 1.035 381 T CA 1.168 63.292 62.100 0.040 0.000 1.151 381 T CB -0.500 68.381 68.868 0.021 0.000 0.862 381 T HN -0.028 nan 8.240 nan 0.000 0.438 382 V N 0.813 120.757 119.914 0.051 0.000 2.252 382 V HA -0.271 3.849 4.120 0.001 0.000 0.249 382 V C 2.206 178.335 176.094 0.059 0.000 1.056 382 V CA 2.483 64.812 62.300 0.048 0.000 1.022 382 V CB -0.710 31.143 31.823 0.051 0.000 0.641 382 V HN 0.617 nan 8.190 nan 0.000 0.445 383 H N 0.403 119.474 119.070 0.002 0.000 2.265 383 H HA -0.226 4.330 4.556 0.001 0.000 0.295 383 H C 2.283 177.611 175.328 -0.000 0.000 1.084 383 H CA 2.545 58.594 56.048 0.001 0.000 1.261 383 H CB -0.213 29.549 29.762 -0.000 0.000 1.360 383 H HN 0.539 nan 8.280 nan 0.000 0.487 384 E N -0.511 119.701 120.200 0.021 0.000 2.065 384 E HA -0.221 4.129 4.350 0.001 0.000 0.201 384 E C 2.449 178.998 176.600 -0.084 0.000 1.016 384 E CA 1.736 58.112 56.400 -0.038 0.000 0.818 384 E CB -0.198 29.520 29.700 0.031 0.000 0.749 384 E HN 0.310 nan 8.360 nan 0.000 0.453 385 V N 1.248 121.135 119.914 -0.046 0.000 2.295 385 V HA -0.285 3.836 4.120 0.001 0.000 0.246 385 V C 2.726 178.782 176.094 -0.062 0.000 1.049 385 V CA 2.256 64.532 62.300 -0.039 0.000 1.024 385 V CB -0.996 30.818 31.823 -0.015 0.000 0.648 385 V HN 0.553 nan 8.190 nan 0.000 0.447 386 T N -1.323 113.181 114.554 -0.083 0.000 2.746 386 T HA -0.229 4.121 4.350 0.001 0.000 0.267 386 T C 1.911 176.539 174.700 -0.119 0.000 1.039 386 T CA 2.067 64.116 62.100 -0.084 0.000 1.142 386 T CB -0.962 67.864 68.868 -0.070 0.000 0.866 386 T HN 0.627 nan 8.240 nan 0.000 0.444 387 T N -0.431 113.993 114.554 -0.217 0.000 2.915 387 T HA -0.003 4.348 4.350 0.001 0.000 0.269 387 T C 2.262 176.899 174.700 -0.106 0.000 1.071 387 T CA 1.290 63.272 62.100 -0.197 0.000 1.132 387 T CB -0.813 67.874 68.868 -0.303 0.000 0.878 387 T HN 0.336 nan 8.240 nan 0.000 0.479 388 S N 1.110 116.759 115.700 -0.085 0.000 2.355 388 S HA 0.095 4.566 4.470 0.001 0.000 0.222 388 S C 1.903 176.491 174.600 -0.021 0.000 1.031 388 S CA 1.141 59.316 58.200 -0.042 0.000 0.993 388 S CB -0.469 62.712 63.200 -0.031 0.000 0.859 388 S HN 0.545 nan 8.310 nan 0.000 0.453 389 I N 1.296 121.852 120.570 -0.024 0.000 2.163 389 I HA -0.201 3.970 4.170 0.001 0.000 0.243 389 I C 2.656 178.780 176.117 0.012 0.000 1.085 389 I CA 1.193 62.489 61.300 -0.006 0.000 1.347 389 I CB -1.092 36.901 38.000 -0.011 0.000 1.044 389 I HN 0.374 nan 8.210 nan 0.000 0.408 390 G N 1.098 109.896 108.800 -0.003 0.000 2.586 390 G HA2 -0.305 3.655 3.960 0.001 0.000 0.218 390 G HA3 -0.305 3.655 3.960 0.001 0.000 0.218 390 G C 1.697 176.631 174.900 0.055 0.000 1.216 390 G CA 0.975 46.085 45.100 0.016 0.000 0.786 390 G HN 0.304 nan 8.290 nan 0.000 0.583 391 K N -0.016 120.396 120.400 0.020 0.000 2.074 391 K HA -0.113 4.208 4.320 0.001 0.000 0.209 391 K C 2.775 179.451 176.600 0.127 0.000 1.048 391 K CA 1.259 57.577 56.287 0.052 0.000 0.926 391 K CB -0.218 32.289 32.500 0.011 0.000 0.713 391 K HN 0.220 nan 8.250 nan 0.000 0.444 392 R N 0.519 121.070 120.500 0.085 0.000 2.075 392 R HA -0.050 4.291 4.340 0.001 0.000 0.232 392 R C 2.438 178.811 176.300 0.122 0.000 1.126 392 R CA 1.162 57.315 56.100 0.088 0.000 0.963 392 R CB -0.333 29.991 30.300 0.041 0.000 0.858 392 R HN 0.205 nan 8.270 nan 0.000 0.435 393 I N 0.045 120.684 120.570 0.115 0.000 2.127 393 I HA -0.322 3.849 4.170 0.001 0.000 0.241 393 I C 2.276 178.511 176.117 0.196 0.000 1.075 393 I CA 1.445 62.825 61.300 0.132 0.000 1.334 393 I CB -0.336 37.725 38.000 0.102 0.000 1.040 393 I HN 0.101 nan 8.210 nan 0.000 0.405 394 F N 1.814 121.797 119.950 0.055 0.000 2.069 394 F HA -0.322 4.205 4.527 0.001 0.000 0.298 394 F C 2.402 178.238 175.800 0.059 0.000 1.113 394 F CA 2.089 60.116 58.000 0.045 0.000 1.214 394 F CB -0.408 38.606 39.000 0.024 0.000 0.978 394 F HN 0.108 nan 8.300 nan 0.000 0.474 395 D N -0.835 119.759 120.400 0.323 0.000 2.221 395 D HA -0.277 4.364 4.640 0.001 0.000 0.204 395 D C 2.152 178.499 176.300 0.079 0.000 0.982 395 D CA 1.393 55.512 54.000 0.198 0.000 0.857 395 D CB -0.494 40.433 40.800 0.212 0.000 0.934 395 D HN 0.589 nan 8.370 nan 0.000 0.475 396 H N 0.122 119.199 119.070 0.012 0.000 2.333 396 H HA -0.028 4.529 4.556 0.001 0.000 0.302 396 H C 1.861 177.186 175.328 -0.004 0.000 1.075 396 H CA 1.547 57.605 56.048 0.017 0.000 1.348 396 H CB 0.157 29.939 29.762 0.034 0.000 1.393 396 H HN 0.129 nan 8.280 nan 0.000 0.509 397 A N 1.253 123.953 122.820 -0.201 0.000 1.902 397 A HA -0.141 4.180 4.320 0.001 0.000 0.217 397 A C 2.415 179.818 177.584 -0.301 0.000 1.181 397 A CA 1.440 53.292 52.037 -0.307 0.000 0.623 397 A CB -0.759 18.088 19.000 -0.254 0.000 0.818 397 A HN 0.442 nan 8.150 nan 0.000 0.443 398 I N -0.963 119.355 120.570 -0.419 0.000 2.454 398 I HA -0.104 4.066 4.170 0.001 0.000 0.254 398 I C 2.163 178.181 176.117 -0.165 0.000 1.156 398 I CA 1.272 62.349 61.300 -0.371 0.000 1.433 398 I CB -0.253 37.435 38.000 -0.521 0.000 1.082 398 I HN 0.187 nan 8.210 nan 0.000 0.432 399 R N -1.332 119.092 120.500 -0.127 0.000 2.246 399 R HA 0.016 4.356 4.340 0.001 0.000 0.199 399 R C 0.157 176.418 176.300 -0.066 0.000 0.984 399 R CA -0.034 56.023 56.100 -0.071 0.000 1.015 399 R CB -0.322 29.952 30.300 -0.044 0.000 0.930 399 R HN 0.272 nan 8.270 nan 0.000 0.475 400 Y N 1.789 121.953 120.300 -0.227 0.000 2.717 400 Y HA 0.029 4.580 4.550 0.001 0.000 0.330 400 Y C -1.585 174.239 175.900 -0.128 0.000 1.217 400 Y CA -1.768 56.206 58.100 -0.209 0.000 1.506 400 Y CB 0.243 38.549 38.460 -0.256 0.000 1.268 400 Y HN 0.122 nan 8.280 nan 0.000 0.561 416 L N 3.944 125.156 121.223 -0.019 0.000 2.529 416 L HA 0.329 4.670 4.340 0.001 0.000 0.223 416 L C 0.346 177.208 176.870 -0.013 0.000 1.113 416 L CA 0.233 55.061 54.840 -0.020 0.000 0.861 416 L CB 0.413 42.460 42.059 -0.019 0.000 1.012 416 L HN 0.504 nan 8.230 nan 0.000 0.461 417 L N 2.205 123.422 121.223 -0.011 0.000 2.268 417 L HA 0.162 4.502 4.340 0.001 0.000 0.289 417 L C 0.357 177.222 176.870 -0.007 0.000 1.064 417 L CA -0.256 54.579 54.840 -0.008 0.000 0.824 417 L CB 0.734 42.789 42.059 -0.006 0.000 1.202 417 L HN 0.160 nan 8.230 nan 0.000 0.433 418 K N 1.146 121.543 120.400 -0.006 0.000 2.187 418 K HA 0.155 4.476 4.320 0.001 0.000 0.247 418 K C 1.152 177.749 176.600 -0.004 0.000 1.019 418 K CA -0.137 56.147 56.287 -0.005 0.000 0.893 418 K CB 0.412 32.910 32.500 -0.003 0.000 1.025 418 K HN 0.532 nan 8.250 nan 0.000 0.500 419 S N 0.443 116.142 115.700 -0.003 0.000 2.359 419 S HA -0.303 4.168 4.470 0.001 0.000 0.223 419 S C 2.227 176.827 174.600 -0.001 0.000 1.039 419 S CA 1.647 59.846 58.200 -0.002 0.000 1.042 419 S CB -0.854 62.346 63.200 -0.001 0.000 0.915 419 S HN 0.781 nan 8.310 nan 0.000 0.439 420 S N 2.356 118.055 115.700 -0.001 0.000 2.390 420 S HA -0.302 4.169 4.470 0.001 0.000 0.234 420 S C 1.612 176.212 174.600 -0.001 0.000 1.063 420 S CA 2.079 60.279 58.200 -0.001 0.000 1.108 420 S CB -0.994 62.205 63.200 -0.000 0.000 0.975 420 S HN 0.594 nan 8.310 nan 0.000 0.442 421 D N 0.502 120.901 120.400 -0.002 0.000 2.123 421 D HA 0.001 4.642 4.640 0.001 0.000 0.200 421 D C 2.132 178.432 176.300 -0.001 0.000 0.976 421 D CA 0.865 54.864 54.000 -0.002 0.000 0.831 421 D CB -0.324 40.474 40.800 -0.004 0.000 0.974 421 D HN 0.510 nan 8.370 nan 0.000 0.469 422 K N 0.632 121.031 120.400 -0.001 0.000 2.103 422 K HA -0.107 4.213 4.320 0.001 0.000 0.207 422 K C 2.168 178.769 176.600 0.001 0.000 1.048 422 K CA 0.599 56.886 56.287 -0.000 0.000 0.930 422 K CB -0.078 32.421 32.500 -0.001 0.000 0.716 422 K HN -0.030 nan 8.250 nan 0.000 0.444 423 V N 2.302 122.216 119.914 0.001 0.000 2.223 423 V HA -0.301 3.819 4.120 0.001 0.000 0.244 423 V C 2.336 178.430 176.094 0.001 0.000 1.045 423 V CA 2.218 64.519 62.300 0.001 0.000 1.000 423 V CB -0.444 31.379 31.823 0.000 0.000 0.635 423 V HN 0.464 nan 8.190 nan 0.000 0.445 424 M N -1.318 118.283 119.600 0.001 0.000 2.358 424 M HA -0.112 4.369 4.480 0.001 0.000 0.264 424 M C 2.067 178.369 176.300 0.003 0.000 1.064 424 M CA 1.909 57.211 55.300 0.002 0.000 1.093 424 M CB -0.643 31.959 32.600 0.003 0.000 1.401 424 M HN 0.193 nan 8.290 nan 0.000 0.440 425 L N 0.537 121.762 121.223 0.004 0.000 2.072 425 L HA -0.095 4.246 4.340 0.001 0.000 0.205 425 L C 2.779 179.652 176.870 0.005 0.000 1.079 425 L CA 1.407 56.251 54.840 0.005 0.000 0.752 425 L CB -0.363 41.700 42.059 0.005 0.000 0.906 425 L HN 0.399 nan 8.230 nan 0.000 0.436 426 K N -0.147 120.255 120.400 0.004 0.000 2.155 426 K HA -0.208 4.113 4.320 0.001 0.000 0.203 426 K C 2.241 178.843 176.600 0.003 0.000 1.052 426 K CA 1.004 57.294 56.287 0.004 0.000 0.948 426 K CB 0.078 32.580 32.500 0.003 0.000 0.728 426 K HN 0.111 nan 8.250 nan 0.000 0.448 427 R N 0.375 120.875 120.500 0.001 0.000 2.092 427 R HA -0.031 4.310 4.340 0.001 0.000 0.231 427 R C 1.902 178.199 176.300 -0.004 0.000 1.119 427 R CA 0.999 57.099 56.100 -0.001 0.000 0.970 427 R CB 0.131 30.430 30.300 -0.002 0.000 0.864 427 R HN 0.020 nan 8.270 nan 0.000 0.440 428 R N 0.259 120.757 120.500 -0.003 0.000 2.193 428 R HA 0.017 4.357 4.340 0.001 0.000 0.213 428 R C 2.091 178.388 176.300 -0.005 0.000 1.055 428 R CA 0.842 56.938 56.100 -0.007 0.000 0.995 428 R CB -0.109 30.189 30.300 -0.003 0.000 0.893 428 R HN 0.381 nan 8.270 nan 0.000 0.459 429 I N 0.491 121.063 120.570 0.004 0.000 2.500 429 I HA -0.161 4.010 4.170 0.001 0.000 0.252 429 I C 2.120 178.245 176.117 0.014 0.000 1.142 429 I CA 0.789 62.096 61.300 0.012 0.000 1.451 429 I CB -0.113 37.895 38.000 0.015 0.000 1.093 429 I HN 0.047 nan 8.210 nan 0.000 0.430 430 L N 0.655 121.883 121.223 0.008 0.000 2.217 430 L HA -0.051 4.290 4.340 0.001 0.000 0.211 430 L C 2.617 179.491 176.870 0.006 0.000 1.107 430 L CA 0.682 55.527 54.840 0.009 0.000 0.783 430 L CB -0.389 41.673 42.059 0.005 0.000 0.919 430 L HN 0.197 nan 8.230 nan 0.000 0.442 431 A N -0.398 122.418 122.820 -0.007 0.000 2.209 431 A HA -0.012 4.309 4.320 0.001 0.000 0.212 431 A C 2.071 179.632 177.584 -0.037 0.000 1.158 431 A CA 0.715 52.736 52.037 -0.026 0.000 0.742 431 A CB -0.320 18.654 19.000 -0.042 0.000 0.790 431 A HN 0.392 nan 8.150 nan 0.000 0.472 432 L N -1.105 120.118 121.223 -0.001 0.000 2.375 432 L HA 0.078 4.419 4.340 0.001 0.000 0.215 432 L C 1.460 178.430 176.870 0.166 0.000 1.108 432 L CA -0.115 54.761 54.840 0.059 0.000 0.830 432 L CB -0.285 41.822 42.059 0.080 0.000 0.959 432 L HN 0.357 nan 8.230 nan 0.000 0.457 433 R N 2.527 123.081 120.500 0.089 0.000 2.537 433 R HA -0.035 4.305 4.340 0.001 0.000 0.281 433 R C -0.050 176.308 176.300 0.096 0.000 0.988 433 R CA 0.195 56.341 56.100 0.077 0.000 1.077 433 R CB 0.364 30.690 30.300 0.042 0.000 0.932 433 R HN 0.256 nan 8.270 nan 0.000 0.409 434 R N 4.641 125.183 120.500 0.071 0.000 2.562 434 R HA 0.451 4.792 4.340 0.001 0.000 0.298 434 R C -2.533 173.775 176.300 0.014 0.000 0.961 434 R CA -2.202 53.927 56.100 0.049 0.000 0.881 434 R CB 0.937 31.225 30.300 -0.020 0.000 1.159 434 R HN 0.389 nan 8.270 nan 0.000 0.450 435 P HA -0.174 nan 4.420 nan 0.000 0.257 435 P C -0.598 176.699 177.300 -0.006 0.000 1.144 435 P CA 0.660 63.761 63.100 0.003 0.000 0.761 435 P CB 0.287 31.987 31.700 -0.000 0.000 0.734 436 E N 2.062 122.260 120.200 -0.004 0.000 2.708 436 E HA 0.049 4.400 4.350 0.001 0.000 0.260 436 E C 1.500 178.092 176.600 -0.013 0.000 0.937 436 E CA 1.391 57.788 56.400 -0.006 0.000 0.953 436 E CB -0.243 29.455 29.700 -0.003 0.000 0.915 436 E HN 0.762 nan 8.360 nan 0.000 0.487 437 G N 3.087 111.879 108.800 -0.013 0.000 2.189 437 G HA2 -0.402 3.559 3.960 0.001 0.000 0.267 437 G HA3 -0.402 3.559 3.960 0.001 0.000 0.267 437 G C 0.217 175.098 174.900 -0.030 0.000 0.975 437 G CA 0.728 45.817 45.100 -0.018 0.000 0.644 437 G HN 0.608 nan 8.290 nan 0.000 0.537 438 Q N 0.469 120.249 119.800 -0.034 0.000 2.295 438 Q HA 0.601 4.942 4.340 0.001 0.000 0.259 438 Q C 0.373 176.335 176.000 -0.063 0.000 0.976 438 Q CA -0.600 55.173 55.803 -0.049 0.000 0.923 438 Q CB 0.356 29.066 28.738 -0.047 0.000 1.185 438 Q HN 0.471 nan 8.270 nan 0.000 0.410 439 L N 5.299 126.485 121.223 -0.062 0.000 2.416 439 L HA 0.507 4.848 4.340 0.001 0.000 0.262 439 L C -2.000 174.788 176.870 -0.138 0.000 1.093 439 L CA -2.610 52.194 54.840 -0.060 0.000 0.801 439 L CB 0.804 42.863 42.059 0.000 0.000 1.191 439 L HN 0.635 nan 8.230 nan 0.000 0.459 440 P HA 0.085 nan 4.420 nan 0.000 0.264 440 P C -2.447 174.713 177.300 -0.232 0.000 1.193 440 P CA -0.661 62.170 63.100 -0.449 0.000 0.763 440 P CB -0.061 31.174 31.700 -0.775 0.000 0.810 441 P HA 0.045 nan 4.420 nan 0.000 0.270 441 P C 0.778 178.197 177.300 0.198 0.000 1.223 441 P CA 0.170 63.298 63.100 0.048 0.000 0.785 441 P CB 0.248 32.002 31.700 0.090 0.000 0.923 442 I N -1.384 119.322 120.570 0.225 0.000 3.883 442 I HA 0.282 4.452 4.170 0.001 0.000 0.326 442 I C 0.210 176.507 176.117 0.299 0.000 1.283 442 I CA 0.200 61.651 61.300 0.252 0.000 1.161 442 I CB 0.337 38.479 38.000 0.237 0.000 1.012 442 I HN -0.031 nan 8.210 nan 0.000 0.421 443 V N 1.396 121.476 119.914 0.277 0.000 2.841 443 V HA 0.302 4.423 4.120 0.001 0.000 0.310 443 V C 1.108 177.334 176.094 0.221 0.000 1.090 443 V CA 0.126 62.573 62.300 0.245 0.000 0.930 443 V CB 2.344 34.299 31.823 0.220 0.000 1.014 443 V HN 0.398 nan 8.190 nan 0.000 0.425 444 T N 1.292 115.963 114.554 0.194 0.000 3.065 444 T HA 0.293 4.644 4.350 0.001 0.000 0.252 444 T C 0.449 175.148 174.700 -0.001 0.000 1.099 444 T CA 0.598 62.816 62.100 0.196 0.000 1.063 444 T CB -0.250 68.791 68.868 0.288 0.000 0.948 444 T HN 0.707 nan 8.240 nan 0.000 0.506 445 H N 0.500 119.567 119.070 -0.005 0.000 2.797 445 H HA 0.545 5.101 4.556 0.001 0.000 0.362 445 H C -0.457 174.842 175.328 -0.049 0.000 1.183 445 H CA -1.078 54.920 56.048 -0.083 0.000 1.197 445 H CB 0.843 30.439 29.762 -0.278 0.000 1.835 445 H HN -0.033 nan 8.280 nan 0.000 0.567 446 N N 2.009 120.758 118.700 0.081 0.000 2.415 446 N HA 0.054 4.795 4.740 0.001 0.000 0.250 446 N C -0.631 174.895 175.510 0.026 0.000 1.127 446 N CA -0.124 52.954 53.050 0.046 0.000 0.945 446 N CB 0.330 38.834 38.487 0.027 0.000 1.196 446 N HN 0.345 nan 8.380 nan 0.000 0.499 447 M N 1.742 121.364 119.600 0.037 0.000 2.217 447 M HA 0.084 4.565 4.480 0.001 0.000 0.352 447 M C 0.377 176.693 176.300 0.027 0.000 1.376 447 M CA -0.341 54.978 55.300 0.032 0.000 1.107 447 M CB 0.479 33.125 32.600 0.077 0.000 1.723 447 M HN 0.054 nan 8.290 nan 0.000 0.461 448 V N 3.796 123.716 119.914 0.011 0.000 2.052 448 V HA 0.141 4.262 4.120 0.001 0.000 0.281 448 V C 0.128 176.231 176.094 0.015 0.000 1.668 448 V CA 0.260 62.564 62.300 0.007 0.000 1.621 448 V CB -1.300 30.518 31.823 -0.009 0.000 1.488 448 V HN 0.961 nan 8.190 nan 0.000 0.513 449 D N 0.389 120.806 120.400 0.029 0.000 4.331 449 D HA -0.118 4.522 4.640 0.001 0.000 0.098 449 D C 0.838 177.168 176.300 0.050 0.000 0.460 449 D CA 0.011 54.029 54.000 0.031 0.000 0.834 449 D CB -0.929 39.883 40.800 0.020 0.000 1.548 449 D HN 0.339 nan 8.370 nan 0.000 0.296 450 D N -0.153 120.280 120.400 0.057 0.000 2.265 450 D HA -0.120 4.521 4.640 0.001 0.000 0.208 450 D C 1.584 177.928 176.300 0.073 0.000 0.977 450 D CA 1.287 55.333 54.000 0.077 0.000 0.871 450 D CB 0.400 41.244 40.800 0.072 0.000 0.925 450 D HN 0.461 nan 8.370 nan 0.000 0.485 451 A N 0.041 122.892 122.820 0.052 0.000 2.044 451 A HA 0.006 4.327 4.320 0.001 0.000 0.213 451 A C 1.751 179.354 177.584 0.033 0.000 1.169 451 A CA 0.367 52.430 52.037 0.043 0.000 0.724 451 A CB 0.216 19.236 19.000 0.033 0.000 0.840 451 A HN 0.078 nan 8.150 nan 0.000 0.463 452 N N 0.052 118.768 118.700 0.026 0.000 2.250 452 N HA 0.069 4.810 4.740 0.001 0.000 0.190 452 N C -0.285 175.223 175.510 -0.003 0.000 1.116 452 N CA 0.033 53.086 53.050 0.005 0.000 0.881 452 N CB -0.075 38.410 38.487 -0.002 0.000 1.006 452 N HN 0.563 nan 8.380 nan 0.000 0.491 453 D N 0.398 120.818 120.400 0.034 0.000 2.493 453 D HA -0.015 4.626 4.640 0.001 0.000 0.240 453 D C 1.358 177.667 176.300 0.014 0.000 1.142 453 D CA 0.133 54.174 54.000 0.068 0.000 0.872 453 D CB 0.809 41.714 40.800 0.176 0.000 1.173 453 D HN -0.001 nan 8.370 nan 0.000 0.467 454 L N 4.089 125.292 121.223 -0.032 0.000 2.109 454 L HA -0.110 4.231 4.340 0.001 0.000 0.207 454 L C 2.031 178.739 176.870 -0.271 0.000 1.086 454 L CA 0.382 55.031 54.840 -0.318 0.000 0.760 454 L CB -0.347 41.331 42.059 -0.635 0.000 0.910 454 L HN 0.665 nan 8.230 nan 0.000 0.437 455 I N -0.157 120.382 120.570 -0.050 0.000 2.233 455 I HA -0.249 3.921 4.170 0.001 0.000 0.243 455 I C 2.511 178.558 176.117 -0.117 0.000 1.093 455 I CA 1.468 62.679 61.300 -0.147 0.000 1.380 455 I CB -0.580 37.035 38.000 -0.642 0.000 1.067 455 I HN 0.261 nan 8.210 nan 0.000 0.413 456 L N 0.790 122.010 121.223 -0.006 0.000 2.017 456 L HA -0.238 4.103 4.340 0.001 0.000 0.208 456 L C 2.367 179.268 176.870 0.050 0.000 1.073 456 L CA 1.445 56.336 54.840 0.084 0.000 0.745 456 L CB -0.726 41.440 42.059 0.178 0.000 0.894 456 L HN 0.288 nan 8.230 nan 0.000 0.432 457 N N -0.317 118.399 118.700 0.026 0.000 2.223 457 N HA -0.182 4.558 4.740 0.001 0.000 0.185 457 N C 1.804 177.320 175.510 0.010 0.000 1.016 457 N CA 0.954 54.016 53.050 0.020 0.000 0.863 457 N CB -0.178 38.305 38.487 -0.007 0.000 0.983 457 N HN 0.198 nan 8.380 nan 0.000 0.429 458 K N 1.591 121.993 120.400 0.004 0.000 2.103 458 K HA 0.014 4.334 4.320 0.001 0.000 0.204 458 K C 1.892 178.489 176.600 -0.005 0.000 1.052 458 K CA 0.382 56.694 56.287 0.042 0.000 0.945 458 K CB -0.120 32.475 32.500 0.159 0.000 0.722 458 K HN 0.366 nan 8.250 nan 0.000 0.443 459 I N -2.056 118.497 120.570 -0.030 0.000 3.291 459 I HA -0.102 4.069 4.170 0.001 0.000 0.279 459 I C 1.658 177.645 176.117 -0.218 0.000 1.294 459 I CA 0.593 61.831 61.300 -0.103 0.000 1.428 459 I CB 0.014 37.968 38.000 -0.076 0.000 1.070 459 I HN -0.044 nan 8.210 nan 0.000 0.478 460 R N 0.716 121.157 120.500 -0.099 0.000 2.052 460 R HA -0.049 4.292 4.340 0.001 0.000 0.224 460 R C 2.402 178.676 176.300 -0.043 0.000 1.149 460 R CA 1.115 57.180 56.100 -0.059 0.000 0.962 460 R CB -0.616 29.774 30.300 0.151 0.000 0.856 460 R HN 0.377 nan 8.270 nan 0.000 0.433 461 Q N 1.154 120.956 119.800 0.002 0.000 2.197 461 Q HA -0.179 4.162 4.340 0.001 0.000 0.211 461 Q C 1.746 177.737 176.000 -0.016 0.000 0.993 461 Q CA 2.380 58.192 55.803 0.014 0.000 0.883 461 Q CB 0.026 28.777 28.738 0.023 0.000 0.916 461 Q HN 0.375 nan 8.270 nan 0.000 0.418 462 V N -2.778 117.094 119.914 -0.071 0.000 3.608 462 V HA 0.082 4.203 4.120 0.001 0.000 0.269 462 V C 0.533 176.540 176.094 -0.145 0.000 1.245 462 V CA 0.772 63.023 62.300 -0.083 0.000 1.138 462 V CB -0.200 31.574 31.823 -0.080 0.000 0.841 462 V HN 0.407 nan 8.190 nan 0.000 0.451 463 Q N 0.010 119.633 119.800 -0.295 0.000 2.487 463 Q HA -0.179 4.161 4.340 0.001 0.000 0.279 463 Q C -0.212 175.483 176.000 -0.507 0.000 1.228 463 Q CA 0.690 56.218 55.803 -0.459 0.000 0.873 463 Q CB -1.849 26.915 28.738 0.043 0.000 1.260 463 Q HN 0.677 nan 8.270 nan 0.000 0.471 464 L N 0.784 121.659 121.223 -0.578 0.000 2.334 464 L HA 0.204 4.545 4.340 0.001 0.000 0.286 464 L C 0.475 177.114 176.870 -0.385 0.000 1.108 464 L CA -0.005 54.640 54.840 -0.325 0.000 0.875 464 L CB 0.030 41.970 42.059 -0.199 0.000 1.246 464 L HN 0.154 nan 8.230 nan 0.000 0.439 465 F N 1.117 121.096 119.950 0.049 0.000 2.706 465 F HA 0.219 4.746 4.527 0.001 0.000 0.313 465 F C 0.878 176.713 175.800 0.059 0.000 1.096 465 F CA -0.511 57.519 58.000 0.051 0.000 1.219 465 F CB 0.109 39.133 39.000 0.039 0.000 1.051 465 F HN 0.483 nan 8.300 nan 0.000 0.568 466 N N -0.083 118.749 118.700 0.220 0.000 2.882 466 N HA -0.164 4.576 4.740 0.001 0.000 0.249 466 N C 0.043 175.683 175.510 0.217 0.000 1.079 466 N CA 0.876 54.060 53.050 0.224 0.000 0.800 466 N CB -1.710 36.901 38.487 0.207 0.000 1.124 466 N HN 0.305 nan 8.380 nan 0.000 0.557 467 S N -0.763 115.044 115.700 0.179 0.000 2.576 467 S HA 0.431 4.902 4.470 0.001 0.000 0.276 467 S C -1.319 173.361 174.600 0.132 0.000 1.339 467 S CA -0.950 57.334 58.200 0.140 0.000 1.039 467 S CB 1.764 65.032 63.200 0.112 0.000 0.902 467 S HN -0.133 nan 8.310 nan 0.000 0.516 468 P HA -0.080 nan 4.420 nan 0.000 0.219 468 P C 1.339 178.683 177.300 0.073 0.000 1.146 468 P CA 1.178 64.355 63.100 0.129 0.000 0.808 468 P CB -0.172 31.593 31.700 0.107 0.000 0.779 469 S N -1.099 114.631 115.700 0.051 0.000 2.368 469 S HA -0.113 4.358 4.470 0.001 0.000 0.225 469 S C 0.787 175.387 174.600 0.000 0.000 1.030 469 S CA 0.968 59.179 58.200 0.018 0.000 0.999 469 S CB -1.174 62.035 63.200 0.015 0.000 0.844 469 S HN 0.209 nan 8.310 nan 0.000 0.459 470 D N 1.231 121.641 120.400 0.017 0.000 2.472 470 D HA 0.143 4.783 4.640 0.001 0.000 0.248 470 D C 0.854 177.123 176.300 -0.053 0.000 1.174 470 D CA 0.244 54.240 54.000 -0.006 0.000 0.883 470 D CB 0.689 41.505 40.800 0.027 0.000 1.149 470 D HN 0.035 nan 8.370 nan 0.000 0.488 471 R N 1.363 121.812 120.500 -0.085 0.000 2.280 471 R HA 0.069 4.410 4.340 0.001 0.000 0.195 471 R C -0.025 176.160 176.300 -0.192 0.000 0.935 471 R CA 0.141 56.158 56.100 -0.139 0.000 1.033 471 R CB 0.427 30.658 30.300 -0.116 0.000 0.964 471 R HN 0.372 nan 8.270 nan 0.000 0.489 472 V N -0.463 119.361 119.914 -0.151 0.000 2.378 472 V HA 0.566 4.686 4.120 0.001 0.000 0.288 472 V C -0.724 175.306 176.094 -0.107 0.000 1.016 472 V CA -1.195 61.002 62.300 -0.171 0.000 0.840 472 V CB 1.721 33.444 31.823 -0.166 0.000 0.994 472 V HN -0.133 nan 8.190 nan 0.000 0.431 473 K N 4.441 124.780 120.400 -0.103 0.000 2.098 473 K HA 0.673 4.993 4.320 0.001 0.000 0.261 473 K C -0.838 175.798 176.600 0.060 0.000 0.987 473 K CA -0.772 55.547 56.287 0.053 0.000 0.916 473 K CB 1.959 34.563 32.500 0.173 0.000 1.039 473 K HN 0.762 nan 8.250 nan 0.000 0.455 474 M N 3.010 122.680 119.600 0.117 0.000 2.134 474 M HA 0.362 4.843 4.480 0.001 0.000 0.310 474 M C -1.511 174.867 176.300 0.130 0.000 0.966 474 M CA -0.529 54.822 55.300 0.086 0.000 0.922 474 M CB 0.890 33.522 32.600 0.053 0.000 1.537 474 M HN 0.380 nan 8.290 nan 0.000 0.424 475 I N 5.640 126.265 120.570 0.091 0.000 2.411 475 I HA 0.330 4.500 4.170 0.001 0.000 0.284 475 I C -1.309 175.009 176.117 0.335 0.000 1.012 475 I CA -0.486 60.902 61.300 0.146 0.000 1.119 475 I CB 1.172 39.155 38.000 -0.027 0.000 1.261 475 I HN 0.548 nan 8.210 nan 0.000 0.448 476 F N 7.104 127.162 119.950 0.180 0.000 2.385 476 F HA 0.365 4.893 4.527 0.001 0.000 0.360 476 F C -0.116 175.825 175.800 0.235 0.000 1.122 476 F CA -0.661 57.451 58.000 0.187 0.000 1.090 476 F CB 0.497 39.580 39.000 0.138 0.000 1.150 476 F HN 0.407 nan 8.300 nan 0.000 0.472 477 H N 8.438 127.540 119.070 0.054 0.000 2.530 477 H HA 0.333 4.890 4.556 0.001 0.000 0.246 477 H C -2.515 172.609 175.328 -0.340 0.000 1.346 477 H CA -2.135 53.848 56.048 -0.108 0.000 1.424 477 H CB 1.338 31.094 29.762 -0.010 0.000 1.445 477 H HN 0.335 nan 8.280 nan 0.000 0.511 478 P HA 0.097 nan 4.420 nan 0.000 0.232 478 P C -0.510 176.329 177.300 -0.768 0.000 1.738 478 P CA 0.318 62.925 63.100 -0.823 0.000 0.948 478 P CB -0.131 31.015 31.700 -0.924 0.000 1.943 479 E N 0.365 120.169 120.200 -0.661 0.000 2.478 479 E HA 0.321 4.672 4.350 0.001 0.000 0.293 479 E C -1.029 175.424 176.600 -0.246 0.000 1.011 479 E CA -0.701 55.349 56.400 -0.583 0.000 0.834 479 E CB 0.245 29.468 29.700 -0.795 0.000 1.226 479 E HN -0.156 nan 8.360 nan 0.000 0.419 480 F N 2.052 121.980 119.950 -0.037 0.000 2.532 480 F HA 0.257 4.785 4.527 0.001 0.000 0.323 480 F C 0.775 176.618 175.800 0.072 0.000 1.234 480 F CA 0.087 58.096 58.000 0.016 0.000 1.323 480 F CB 0.350 39.331 39.000 -0.031 0.000 1.183 480 F HN 0.307 nan 8.300 nan 0.000 0.589 481 L N 2.035 123.416 121.223 0.263 0.000 2.309 481 L HA 0.405 4.745 4.340 0.001 0.000 0.282 481 L C -0.381 176.551 176.870 0.104 0.000 1.036 481 L CA -0.549 54.356 54.840 0.109 0.000 0.806 481 L CB 0.980 43.007 42.059 -0.054 0.000 1.220 481 L HN 0.554 nan 8.230 nan 0.000 0.429 482 N N 0.939 119.681 118.700 0.071 0.000 2.287 482 N HA 0.292 5.033 4.740 0.001 0.000 0.289 482 N C 0.329 175.853 175.510 0.023 0.000 1.066 482 N CA -0.343 52.739 53.050 0.053 0.000 0.841 482 N CB 2.319 40.849 38.487 0.072 0.000 1.599 482 N HN 0.658 nan 8.380 nan 0.000 0.476 483 A N 1.977 124.802 122.820 0.009 0.000 2.131 483 A HA -0.190 4.131 4.320 0.001 0.000 0.220 483 A C 1.088 178.670 177.584 -0.004 0.000 1.158 483 A CA 1.498 53.530 52.037 -0.007 0.000 0.665 483 A CB -0.793 18.202 19.000 -0.008 0.000 0.795 483 A HN 0.834 nan 8.150 nan 0.000 0.460 484 N N -0.786 117.923 118.700 0.015 0.000 2.313 484 N HA 0.048 4.789 4.740 0.001 0.000 0.207 484 N C -0.536 174.996 175.510 0.037 0.000 1.141 484 N CA -0.343 52.720 53.050 0.021 0.000 0.830 484 N CB -0.031 38.472 38.487 0.028 0.000 1.008 484 N HN 0.132 nan 8.380 nan 0.000 0.481 485 N N 1.598 120.317 118.700 0.031 0.000 2.444 485 N HA 0.151 4.891 4.740 0.001 0.000 0.271 485 N C -1.535 173.922 175.510 -0.089 0.000 1.069 485 N CA -1.959 51.113 53.050 0.037 0.000 0.965 485 N CB 1.365 39.904 38.487 0.088 0.000 1.092 485 N HN 0.042 nan 8.380 nan 0.000 0.476 486 P HA -0.120 nan 4.420 nan 0.000 0.216 486 P C 1.059 178.201 177.300 -0.264 0.000 1.150 486 P CA 0.844 63.808 63.100 -0.227 0.000 0.843 486 P CB 0.426 31.937 31.700 -0.315 0.000 0.787 487 I N -2.004 118.308 120.570 -0.430 0.000 2.260 487 I HA 0.003 4.173 4.170 0.001 0.000 0.237 487 I C 1.020 177.068 176.117 -0.114 0.000 1.075 487 I CA 0.881 62.035 61.300 -0.244 0.000 1.376 487 I CB -0.648 37.134 38.000 -0.364 0.000 1.107 487 I HN -0.154 nan 8.210 nan 0.000 0.420 488 L N 0.540 121.609 121.223 -0.257 0.000 2.417 488 L HA 0.529 4.869 4.340 0.001 0.000 0.259 488 L C 0.675 177.414 176.870 -0.218 0.000 1.023 488 L CA -0.297 54.335 54.840 -0.346 0.000 0.901 488 L CB 0.492 42.095 42.059 -0.760 0.000 1.227 488 L HN 0.166 nan 8.230 nan 0.000 0.454 489 G N 5.336 114.064 108.800 -0.119 0.000 3.356 489 G HA2 0.282 4.243 3.960 0.001 0.000 0.239 489 G HA3 0.282 4.243 3.960 0.001 0.000 0.239 489 G C -0.002 174.856 174.900 -0.070 0.000 1.252 489 G CA 0.030 45.084 45.100 -0.076 0.000 1.611 489 G HN 0.460 nan 8.290 nan 0.000 0.580 490 L N -0.889 120.274 121.223 -0.099 0.000 2.301 490 L HA 0.513 4.853 4.340 0.001 0.000 0.264 490 L C -0.441 176.403 176.870 -0.043 0.000 1.016 490 L CA -1.355 53.444 54.840 -0.068 0.000 0.821 490 L CB 1.751 43.768 42.059 -0.070 0.000 1.346 490 L HN -0.102 nan 8.230 nan 0.000 0.429 491 D N -0.895 119.502 120.400 -0.006 0.000 2.411 491 D HA 0.036 4.676 4.640 0.001 0.000 0.251 491 D C 0.362 176.707 176.300 0.075 0.000 1.201 491 D CA -0.133 53.890 54.000 0.038 0.000 0.996 491 D CB 0.824 41.649 40.800 0.042 0.000 1.101 491 D HN 0.471 nan 8.370 nan 0.000 0.504 492 Y N 0.773 121.078 120.300 0.008 0.000 2.200 492 Y HA -0.200 4.351 4.550 0.001 0.000 0.290 492 Y C 1.951 177.892 175.900 0.068 0.000 1.137 492 Y CA 2.073 60.197 58.100 0.040 0.000 1.163 492 Y CB 0.085 38.584 38.460 0.065 0.000 0.988 492 Y HN 0.431 nan 8.280 nan 0.000 0.518 493 D N -0.195 120.288 120.400 0.138 0.000 2.117 493 D HA -0.244 4.396 4.640 0.001 0.000 0.197 493 D C 1.596 177.867 176.300 -0.049 0.000 0.987 493 D CA 1.777 55.812 54.000 0.057 0.000 0.829 493 D CB -0.556 40.354 40.800 0.184 0.000 0.961 493 D HN 0.583 nan 8.370 nan 0.000 0.460 494 E N -0.224 119.962 120.200 -0.023 0.000 2.049 494 E HA -0.183 4.167 4.350 0.001 0.000 0.198 494 E C 2.042 178.569 176.600 -0.123 0.000 1.007 494 E CA 1.179 57.548 56.400 -0.052 0.000 0.809 494 E CB -0.381 29.301 29.700 -0.030 0.000 0.749 494 E HN 0.324 nan 8.360 nan 0.000 0.450 495 F N 1.363 121.123 119.950 -0.317 0.000 2.069 495 F HA -0.252 4.276 4.527 0.001 0.000 0.298 495 F C 2.181 177.659 175.800 -0.537 0.000 1.113 495 F CA 1.227 58.952 58.000 -0.458 0.000 1.214 495 F CB -0.542 38.128 39.000 -0.549 0.000 0.978 495 F HN -0.195 nan 8.300 nan 0.000 0.474 496 V N 1.276 120.749 119.914 -0.735 0.000 2.282 496 V HA -0.369 3.752 4.120 0.001 0.000 0.249 496 V C 2.643 178.494 176.094 -0.405 0.000 1.057 496 V CA 2.477 64.299 62.300 -0.798 0.000 1.032 496 V CB -0.727 30.775 31.823 -0.534 0.000 0.645 496 V HN 0.333 nan 8.190 nan 0.000 0.447 497 R N -0.161 120.195 120.500 -0.241 0.000 2.096 497 R HA -0.119 4.221 4.340 0.001 0.000 0.235 497 R C 2.316 178.589 176.300 -0.045 0.000 1.127 497 R CA 1.402 57.457 56.100 -0.074 0.000 0.968 497 R CB -0.739 29.544 30.300 -0.028 0.000 0.861 497 R HN 0.611 nan 8.270 nan 0.000 0.440 498 G N 0.003 108.657 108.800 -0.244 0.000 2.679 498 G HA2 -0.119 3.842 3.960 0.001 0.000 0.212 498 G HA3 -0.119 3.842 3.960 0.001 0.000 0.212 498 G C 0.525 175.250 174.900 -0.292 0.000 1.137 498 G CA 0.095 45.001 45.100 -0.323 0.000 0.787 498 G HN 0.221 nan 8.290 nan 0.000 0.534 499 C N -1.270 117.876 119.300 -0.257 0.000 2.478 499 C HA 0.542 5.002 4.460 0.001 0.000 0.379 499 C C 1.471 176.477 174.990 0.026 0.000 1.470 499 C CA -0.588 58.373 59.018 -0.095 0.000 2.066 499 C CB 0.991 28.697 27.740 -0.057 0.000 2.001 499 C HN 0.476 nan 8.230 nan 0.000 0.550 500 H N -0.861 118.450 119.070 0.401 0.000 2.788 500 H HA 0.392 4.949 4.556 0.001 0.000 0.262 500 H C -0.498 174.915 175.328 0.141 0.000 0.968 500 H CA 0.433 56.714 56.048 0.388 0.000 1.218 500 H CB 0.678 30.766 29.762 0.543 0.000 1.443 500 H HN 0.334 nan 8.280 nan 0.000 0.478 501 L N 0.626 121.900 121.223 0.085 0.000 2.676 501 L HA 0.506 4.847 4.340 0.001 0.000 0.262 501 L C -0.563 175.973 176.870 -0.557 0.000 0.932 501 L CA -0.568 54.000 54.840 -0.452 0.000 0.932 501 L CB 1.633 43.029 42.059 -1.105 0.000 1.355 501 L HN 0.087 nan 8.230 nan 0.000 0.421 502 G N 3.439 111.823 108.800 -0.693 0.000 2.395 502 G HA2 0.574 4.534 3.960 0.001 0.000 0.283 502 G HA3 0.574 4.534 3.960 0.001 0.000 0.283 502 G C -1.212 172.822 174.900 -1.443 0.000 1.178 502 G CA -0.423 43.849 45.100 -1.379 0.000 0.837 502 G HN 0.545 nan 8.290 nan 0.000 0.518 503 V N 2.241 121.071 119.914 -1.806 0.000 2.380 503 V HA 0.394 4.514 4.120 0.001 0.000 0.286 503 V C -1.164 174.157 176.094 -1.289 0.000 1.015 503 V CA -0.606 60.967 62.300 -1.211 0.000 0.834 503 V CB 0.714 32.237 31.823 -0.500 0.000 1.009 503 V HN 0.634 nan 8.190 nan 0.000 0.428 504 F N 5.362 125.150 119.950 -0.269 0.000 2.550 504 F HA 0.449 4.977 4.527 0.001 0.000 0.348 504 F C -2.351 173.381 175.800 -0.114 0.000 1.219 504 F CA -2.510 55.370 58.000 -0.201 0.000 1.203 504 F CB 1.382 40.274 39.000 -0.180 0.000 1.436 504 F HN 0.296 nan 8.300 nan 0.000 0.541 505 P HA 0.084 nan 4.420 nan 0.000 0.228 505 P C -0.261 177.080 177.300 0.068 0.000 1.748 505 P CA 0.145 63.267 63.100 0.037 0.000 0.909 505 P CB -0.097 31.630 31.700 0.044 0.000 1.882 506 S N 0.227 115.976 115.700 0.082 0.000 2.564 506 S HA 0.061 4.531 4.470 0.001 0.000 0.278 506 S C 0.435 175.138 174.600 0.172 0.000 1.333 506 S CA -0.191 58.074 58.200 0.108 0.000 1.048 506 S CB 0.600 63.839 63.200 0.066 0.000 0.900 506 S HN 0.280 nan 8.310 nan 0.000 0.505 507 Y N 1.863 122.217 120.300 0.090 0.000 2.464 507 Y HA 0.317 4.868 4.550 0.001 0.000 0.288 507 Y C -0.102 175.999 175.900 0.334 0.000 1.133 507 Y CA 0.088 58.290 58.100 0.169 0.000 1.223 507 Y CB 0.177 38.731 38.460 0.157 0.000 1.187 507 Y HN 0.691 nan 8.280 nan 0.000 0.539 508 Y N 1.926 122.215 120.300 -0.020 0.000 2.326 508 Y HA 0.480 5.031 4.550 0.001 0.000 0.329 508 Y C -1.202 174.707 175.900 0.015 0.000 0.973 508 Y CA -1.198 56.849 58.100 -0.089 0.000 1.162 508 Y CB 0.909 39.225 38.460 -0.241 0.000 1.147 508 Y HN 0.205 nan 8.280 nan 0.000 0.456 509 E N 8.172 128.119 120.200 -0.422 0.000 2.639 509 E HA 0.265 4.616 4.350 0.001 0.000 0.378 509 E C -2.746 173.723 176.600 -0.219 0.000 1.002 509 E CA -1.481 54.776 56.400 -0.240 0.000 0.747 509 E CB 1.311 30.962 29.700 -0.083 0.000 1.571 509 E HN 0.371 nan 8.360 nan 0.000 0.382 510 P HA -0.069 nan 4.420 nan 0.000 0.218 510 P C 0.094 177.495 177.300 0.169 0.000 1.149 510 P CA 0.938 64.009 63.100 -0.050 0.000 0.817 510 P CB 0.161 31.860 31.700 -0.001 0.000 0.785 511 W N -1.283 119.968 121.300 -0.083 0.000 4.677 511 W HA 0.334 4.995 4.660 0.001 0.000 0.187 511 W C -0.618 175.843 176.519 -0.096 0.000 1.786 511 W CA 0.513 57.799 57.345 -0.098 0.000 2.308 511 W CB 0.347 29.698 29.460 -0.181 0.000 1.158 511 W HN -0.016 nan 8.180 nan 0.000 0.865 512 G N 1.829 110.517 108.800 -0.187 0.000 2.780 512 G HA2 -0.290 3.670 3.960 0.001 0.000 0.364 512 G HA3 -0.290 3.670 3.960 0.001 0.000 0.364 512 G C -0.722 173.881 174.900 -0.495 0.000 1.045 512 G CA -0.027 44.871 45.100 -0.336 0.000 1.202 512 G HN 0.450 nan 8.290 nan 0.000 0.534 513 Y N 0.691 120.922 120.300 -0.116 0.000 2.337 513 Y HA -0.128 4.423 4.550 0.001 0.000 0.293 513 Y C 3.195 178.932 175.900 -0.272 0.000 1.123 513 Y CA 2.092 60.142 58.100 -0.083 0.000 1.201 513 Y CB 0.246 38.758 38.460 0.086 0.000 1.011 513 Y HN 0.700 nan 8.280 nan 0.000 0.545 514 T N -1.043 113.422 114.554 -0.149 0.000 2.684 514 T HA -0.169 4.182 4.350 0.001 0.000 0.267 514 T C -0.590 173.692 174.700 -0.697 0.000 1.036 514 T CA 1.240 63.168 62.100 -0.286 0.000 1.148 514 T CB -1.844 66.869 68.868 -0.258 0.000 0.863 514 T HN 0.244 nan 8.240 nan 0.000 0.436 515 P HA 0.125 nan 4.420 nan 0.000 0.217 515 P C 1.709 178.436 177.300 -0.954 0.000 1.151 515 P CA 1.414 63.838 63.100 -1.127 0.000 0.828 515 P CB -0.286 30.919 31.700 -0.825 0.000 0.788 516 A N 1.375 123.429 122.820 -1.276 0.000 1.930 516 A HA -0.183 4.138 4.320 0.001 0.000 0.217 516 A C 2.202 179.496 177.584 -0.484 0.000 1.175 516 A CA 1.693 52.987 52.037 -1.239 0.000 0.627 516 A CB -1.218 17.165 19.000 -1.029 0.000 0.815 516 A HN 0.402 nan 8.150 nan 0.000 0.443 517 E N -1.147 118.863 120.200 -0.316 0.000 2.371 517 E HA -0.113 4.237 4.350 0.001 0.000 0.194 517 E C 1.857 178.309 176.600 -0.246 0.000 1.012 517 E CA 0.878 57.113 56.400 -0.275 0.000 0.860 517 E CB -0.687 28.958 29.700 -0.093 0.000 0.811 517 E HN 0.482 nan 8.360 nan 0.000 0.502 518 C N 1.041 120.233 119.300 -0.180 0.000 2.446 518 C HA -0.079 4.382 4.460 0.001 0.000 0.277 518 C C 2.741 177.699 174.990 -0.053 0.000 1.275 518 C CA 1.635 60.636 59.018 -0.029 0.000 1.727 518 C CB -1.068 26.701 27.740 0.049 0.000 2.010 518 C HN 0.555 nan 8.230 nan 0.000 0.486 519 T N 0.242 114.733 114.554 -0.106 0.000 2.812 519 T HA -0.105 4.245 4.350 0.001 0.000 0.264 519 T C 1.783 176.447 174.700 -0.060 0.000 1.042 519 T CA 1.672 63.756 62.100 -0.027 0.000 1.140 519 T CB -0.273 68.630 68.868 0.059 0.000 0.870 519 T HN 0.411 nan 8.240 nan 0.000 0.445 520 V N 1.566 121.384 119.914 -0.159 0.000 2.469 520 V HA -0.130 3.990 4.120 0.001 0.000 0.251 520 V C 2.236 178.226 176.094 -0.173 0.000 1.064 520 V CA 1.525 63.708 62.300 -0.195 0.000 1.066 520 V CB -0.562 31.028 31.823 -0.388 0.000 0.667 520 V HN 0.526 nan 8.190 nan 0.000 0.461 521 M N -0.427 119.058 119.600 -0.192 0.000 2.618 521 M HA 0.209 4.689 4.480 0.001 0.000 0.240 521 M C 1.312 177.605 176.300 -0.011 0.000 1.123 521 M CA 0.897 56.144 55.300 -0.089 0.000 1.060 521 M CB 0.102 32.657 32.600 -0.075 0.000 1.535 521 M HN 0.515 nan 8.290 nan 0.000 0.507 522 G N 1.112 109.910 108.800 -0.003 0.000 2.204 522 G HA2 -0.174 3.786 3.960 0.001 0.000 0.244 522 G HA3 -0.174 3.786 3.960 0.001 0.000 0.244 522 G C -0.393 174.532 174.900 0.041 0.000 1.062 522 G CA -0.326 44.792 45.100 0.029 0.000 0.798 522 G HN 0.323 nan 8.290 nan 0.000 0.496 523 V N 0.706 120.648 119.914 0.046 0.000 2.495 523 V HA 0.529 4.650 4.120 0.001 0.000 0.298 523 V C -1.793 174.334 176.094 0.054 0.000 1.031 523 V CA -1.883 60.454 62.300 0.061 0.000 0.871 523 V CB 2.232 34.109 31.823 0.091 0.000 0.988 523 V HN 0.126 nan 8.190 nan 0.000 0.432 524 P HA 0.183 nan 4.420 nan 0.000 0.266 524 P C -0.700 176.526 177.300 -0.125 0.000 1.193 524 P CA 0.305 63.409 63.100 0.007 0.000 0.770 524 P CB 0.425 32.118 31.700 -0.011 0.000 0.836 525 S N 1.107 116.752 115.700 -0.093 0.000 2.547 525 S HA 0.647 5.118 4.470 0.001 0.000 0.270 525 S C -0.950 173.571 174.600 -0.133 0.000 1.150 525 S CA -0.863 57.260 58.200 -0.128 0.000 0.850 525 S CB 0.936 64.220 63.200 0.140 0.000 1.118 525 S HN 0.213 nan 8.310 nan 0.000 0.461 526 I N 1.667 122.088 120.570 -0.248 0.000 2.389 526 I HA 0.548 4.719 4.170 0.001 0.000 0.288 526 I C 0.234 176.323 176.117 -0.046 0.000 0.999 526 I CA -0.230 60.945 61.300 -0.208 0.000 1.129 526 I CB 1.969 39.753 38.000 -0.359 0.000 1.288 526 I HN 0.752 nan 8.210 nan 0.000 0.444 527 T N 3.386 117.944 114.554 0.007 0.000 2.768 527 T HA 0.651 5.001 4.350 0.001 0.000 0.268 527 T C -0.035 174.651 174.700 -0.022 0.000 0.969 527 T CA -0.216 61.915 62.100 0.052 0.000 1.008 527 T CB 1.680 70.616 68.868 0.112 0.000 1.371 527 T HN 0.743 nan 8.240 nan 0.000 0.587 528 T N -0.117 114.422 114.554 -0.026 0.000 2.883 528 T HA 0.435 4.785 4.350 0.001 0.000 0.284 528 T C 0.512 175.151 174.700 -0.102 0.000 1.041 528 T CA -0.671 61.397 62.100 -0.054 0.000 1.007 528 T CB 0.983 69.833 68.868 -0.029 0.000 1.220 528 T HN 0.594 nan 8.240 nan 0.000 0.552 529 N N -0.044 118.577 118.700 -0.131 0.000 2.230 529 N HA 0.025 4.766 4.740 0.001 0.000 0.202 529 N C 1.117 176.473 175.510 -0.258 0.000 1.119 529 N CA 0.369 53.317 53.050 -0.170 0.000 0.851 529 N CB -0.223 38.180 38.487 -0.140 0.000 0.990 529 N HN 0.593 nan 8.380 nan 0.000 0.497 530 V N -4.192 115.553 119.914 -0.282 0.000 3.578 530 V HA 0.332 4.453 4.120 0.001 0.000 0.290 530 V C 0.777 176.776 176.094 -0.159 0.000 1.376 530 V CA -0.383 61.681 62.300 -0.393 0.000 1.083 530 V CB -0.470 30.908 31.823 -0.741 0.000 0.911 530 V HN 0.219 nan 8.190 nan 0.000 0.433 531 S N 1.314 116.942 115.700 -0.121 0.000 2.565 531 S HA 0.527 4.998 4.470 0.001 0.000 0.276 531 S C 1.590 176.133 174.600 -0.094 0.000 1.326 531 S CA 0.313 58.455 58.200 -0.097 0.000 1.045 531 S CB 1.200 64.349 63.200 -0.085 0.000 0.918 531 S HN 0.598 nan 8.310 nan 0.000 0.505 532 G N 3.703 112.464 108.800 -0.064 0.000 2.446 532 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 532 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 532 G C 1.076 175.891 174.900 -0.142 0.000 1.168 532 G CA 0.886 46.008 45.100 0.036 0.000 0.771 532 G HN 0.783 nan 8.290 nan 0.000 0.551 533 F N 2.566 122.079 119.950 -0.729 0.000 2.171 533 F HA 0.068 4.595 4.527 0.001 0.000 0.300 533 F C 2.476 178.031 175.800 -0.408 0.000 1.090 533 F CA 1.323 58.714 58.000 -1.014 0.000 1.293 533 F CB -0.543 37.735 39.000 -1.203 0.000 1.013 533 F HN 0.120 nan 8.300 nan 0.000 0.486 534 G N 0.153 108.743 108.800 -0.349 0.000 2.587 534 G HA2 -0.377 3.584 3.960 0.001 0.000 0.217 534 G HA3 -0.377 3.584 3.960 0.001 0.000 0.217 534 G C 1.783 176.517 174.900 -0.278 0.000 1.240 534 G CA 2.018 46.927 45.100 -0.319 0.000 0.794 534 G HN 0.546 nan 8.290 nan 0.000 0.580 535 S N 0.188 115.793 115.700 -0.157 0.000 2.407 535 S HA -0.411 4.060 4.470 0.001 0.000 0.244 535 S C 2.203 176.771 174.600 -0.052 0.000 1.077 535 S CA 2.298 60.454 58.200 -0.073 0.000 1.159 535 S CB -1.071 62.134 63.200 0.009 0.000 1.045 535 S HN 0.523 nan 8.310 nan 0.000 0.438 536 Y N 1.434 121.635 120.300 -0.165 0.000 2.181 536 Y HA 0.000 4.551 4.550 0.001 0.000 0.288 536 Y C 2.519 178.276 175.900 -0.239 0.000 1.146 536 Y CA 1.691 59.720 58.100 -0.117 0.000 1.164 536 Y CB -0.578 37.908 38.460 0.043 0.000 0.982 536 Y HN 0.255 nan 8.280 nan 0.000 0.515 537 M N 0.562 119.849 119.600 -0.521 0.000 2.175 537 M HA -0.136 4.344 4.480 0.001 0.000 0.264 537 M C 2.112 178.155 176.300 -0.427 0.000 1.063 537 M CA 1.476 56.400 55.300 -0.628 0.000 1.119 537 M CB -0.828 31.278 32.600 -0.824 0.000 1.377 537 M HN 0.368 nan 8.290 nan 0.000 0.415 538 E N -0.029 119.982 120.200 -0.317 0.000 2.171 538 E HA -0.225 4.126 4.350 0.001 0.000 0.197 538 E C 0.162 176.644 176.600 -0.196 0.000 0.997 538 E CA 1.480 57.755 56.400 -0.209 0.000 0.810 538 E CB -0.018 29.597 29.700 -0.141 0.000 0.738 538 E HN 0.444 nan 8.360 nan 0.000 0.467 539 D N -0.283 119.974 120.400 -0.238 0.000 2.400 539 D HA 0.152 4.793 4.640 0.001 0.000 0.243 539 D C -0.419 175.735 176.300 -0.243 0.000 1.184 539 D CA 0.454 54.331 54.000 -0.205 0.000 0.853 539 D CB 0.023 40.718 40.800 -0.176 0.000 0.944 539 D HN 0.111 nan 8.370 nan 0.000 0.501 547 K N 1.237 121.557 120.400 -0.133 0.000 2.280 547 K HA -0.074 4.246 4.320 0.001 0.000 0.202 547 K C 0.601 177.045 176.600 -0.260 0.000 1.047 547 K CA 1.275 57.363 56.287 -0.331 0.000 0.942 547 K CB -0.195 31.959 32.500 -0.578 0.000 0.739 547 K HN 0.513 nan 8.250 nan 0.000 0.457 548 D N 0.325 120.632 120.400 -0.155 0.000 2.265 548 D HA -0.175 4.465 4.640 0.001 0.000 0.208 548 D C 1.024 177.195 176.300 -0.214 0.000 0.977 548 D CA 1.260 55.150 54.000 -0.184 0.000 0.871 548 D CB -0.041 40.615 40.800 -0.239 0.000 0.925 548 D HN 0.325 nan 8.370 nan 0.000 0.485 549 Y N -0.156 120.105 120.300 -0.064 0.000 2.490 549 Y HA 0.238 4.789 4.550 0.001 0.000 0.281 549 Y C 1.853 177.759 175.900 0.009 0.000 1.174 549 Y CA 0.419 58.503 58.100 -0.027 0.000 1.295 549 Y CB 0.551 38.985 38.460 -0.043 0.000 1.062 549 Y HN 0.047 nan 8.280 nan 0.000 0.522 550 G N 0.510 109.386 108.800 0.127 0.000 2.144 550 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 550 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 550 G C -0.085 174.942 174.900 0.211 0.000 0.988 550 G CA -0.108 45.114 45.100 0.204 0.000 0.659 550 G HN 0.264 nan 8.290 nan 0.000 0.522 551 I N 1.119 121.754 120.570 0.109 0.000 2.411 551 I HA 0.415 4.586 4.170 0.001 0.000 0.284 551 I C -0.225 175.877 176.117 -0.025 0.000 1.012 551 I CA -1.116 60.235 61.300 0.086 0.000 1.119 551 I CB 0.988 38.991 38.000 0.004 0.000 1.261 551 I HN 0.105 nan 8.210 nan 0.000 0.448 552 Y N 6.313 126.476 120.300 -0.229 0.000 2.323 552 Y HA 0.575 5.126 4.550 0.001 0.000 0.331 552 Y C 0.219 175.861 175.900 -0.430 0.000 1.092 552 Y CA -0.908 56.922 58.100 -0.451 0.000 1.150 552 Y CB 1.524 39.537 38.460 -0.744 0.000 1.200 552 Y HN 0.330 nan 8.280 nan 0.000 0.472 553 I N 4.028 124.426 120.570 -0.288 0.000 2.420 553 I HA 0.222 4.392 4.170 0.001 0.000 0.282 553 I C -0.844 175.208 176.117 -0.109 0.000 1.019 553 I CA -0.812 60.384 61.300 -0.173 0.000 1.130 553 I CB 1.307 39.234 38.000 -0.122 0.000 1.262 553 I HN 0.316 nan 8.210 nan 0.000 0.454 554 V N 4.984 124.857 119.914 -0.068 0.000 2.555 554 V HA 0.015 4.136 4.120 0.001 0.000 0.286 554 V C 0.384 176.506 176.094 0.047 0.000 1.044 554 V CA -0.045 62.304 62.300 0.081 0.000 1.026 554 V CB 1.253 33.125 31.823 0.081 0.000 0.981 554 V HN 0.630 nan 8.190 nan 0.000 0.480 555 D N 4.863 125.315 120.400 0.086 0.000 2.352 555 D HA 0.128 4.769 4.640 0.001 0.000 0.245 555 D C 0.881 177.182 176.300 0.001 0.000 1.224 555 D CA -0.025 53.998 54.000 0.039 0.000 0.879 555 D CB 0.575 41.442 40.800 0.111 0.000 1.057 555 D HN 0.369 nan 8.370 nan 0.000 0.491 556 R N 3.063 123.519 120.500 -0.072 0.000 2.334 556 R HA 0.106 4.446 4.340 0.001 0.000 0.212 556 R C 1.689 177.921 176.300 -0.114 0.000 0.897 556 R CA 0.008 56.081 56.100 -0.047 0.000 1.056 556 R CB 0.407 30.708 30.300 0.002 0.000 1.046 556 R HN 0.428 nan 8.270 nan 0.000 0.513 557 R N -0.765 119.538 120.500 -0.329 0.000 2.175 557 R HA 0.071 4.411 4.340 0.001 0.000 0.202 557 R C 0.777 176.759 176.300 -0.530 0.000 1.018 557 R CA 0.868 56.626 56.100 -0.571 0.000 1.029 557 R CB 0.280 29.957 30.300 -1.038 0.000 0.959 557 R HN -0.020 nan 8.270 nan 0.000 0.480 558 F N 0.403 120.351 119.950 -0.002 0.000 2.532 558 F HA 0.324 4.851 4.527 0.001 0.000 0.278 558 F C 0.561 176.372 175.800 0.019 0.000 0.975 558 F CA -0.043 57.960 58.000 0.005 0.000 1.292 558 F CB -0.311 38.680 39.000 -0.015 0.000 1.112 558 F HN -0.330 nan 8.300 nan 0.000 0.703 559 K N 1.341 121.851 120.400 0.184 0.000 2.319 559 K HA 0.435 4.756 4.320 0.001 0.000 0.265 559 K C 0.186 176.832 176.600 0.077 0.000 1.000 559 K CA -0.149 56.203 56.287 0.110 0.000 0.943 559 K CB 0.552 33.103 32.500 0.086 0.000 0.950 559 K HN 0.102 nan 8.250 nan 0.000 0.485 560 A N 3.198 126.055 122.820 0.060 0.000 2.346 560 A HA 0.168 4.488 4.320 0.001 0.000 0.252 560 A C -1.555 176.047 177.584 0.029 0.000 1.089 560 A CA -1.242 50.823 52.037 0.047 0.000 0.797 560 A CB -0.225 18.798 19.000 0.039 0.000 1.047 560 A HN 0.506 nan 8.150 nan 0.000 0.494 561 P HA -0.216 nan 4.420 nan 0.000 0.218 561 P C 0.915 178.213 177.300 -0.003 0.000 1.154 561 P CA 1.804 64.902 63.100 -0.004 0.000 0.872 561 P CB 0.178 31.870 31.700 -0.014 0.000 0.790 562 D N -0.764 119.637 120.400 0.001 0.000 2.137 562 D HA -0.114 4.526 4.640 0.001 0.000 0.202 562 D C 1.714 178.013 176.300 -0.002 0.000 0.970 562 D CA 0.885 54.882 54.000 -0.005 0.000 0.837 562 D CB 0.014 40.810 40.800 -0.008 0.000 0.981 562 D HN 0.215 nan 8.370 nan 0.000 0.475 563 E N 0.275 120.479 120.200 0.007 0.000 2.153 563 E HA -0.109 4.242 4.350 0.001 0.000 0.194 563 E C 2.243 178.855 176.600 0.019 0.000 0.988 563 E CA 0.679 57.084 56.400 0.009 0.000 0.811 563 E CB 0.075 29.787 29.700 0.019 0.000 0.746 563 E HN 0.084 nan 8.360 nan 0.000 0.466 564 S N 0.587 116.302 115.700 0.026 0.000 2.351 564 S HA -0.165 4.306 4.470 0.001 0.000 0.220 564 S C 2.254 176.876 174.600 0.037 0.000 1.035 564 S CA 1.187 59.410 58.200 0.039 0.000 1.031 564 S CB -0.350 62.868 63.200 0.029 0.000 0.928 564 S HN 0.074 nan 8.310 nan 0.000 0.433 565 V N 2.497 122.420 119.914 0.016 0.000 2.250 565 V HA -0.231 3.890 4.120 0.001 0.000 0.250 565 V C 2.616 178.713 176.094 0.006 0.000 1.060 565 V CA 1.897 64.201 62.300 0.007 0.000 1.030 565 V CB -0.717 31.099 31.823 -0.012 0.000 0.643 565 V HN 0.416 nan 8.190 nan 0.000 0.445 566 E N -0.348 119.847 120.200 -0.008 0.000 2.085 566 E HA -0.297 4.054 4.350 0.001 0.000 0.194 566 E C 2.223 178.806 176.600 -0.027 0.000 0.994 566 E CA 1.722 58.108 56.400 -0.023 0.000 0.801 566 E CB -0.355 29.326 29.700 -0.033 0.000 0.743 566 E HN 0.758 nan 8.360 nan 0.000 0.453 567 Q N 0.455 120.249 119.800 -0.011 0.000 2.135 567 Q HA -0.138 4.202 4.340 0.001 0.000 0.204 567 Q C 2.353 178.381 176.000 0.048 0.000 0.981 567 Q CA 0.862 56.644 55.803 -0.036 0.000 0.856 567 Q CB -0.099 28.674 28.738 0.059 0.000 0.902 567 Q HN 0.268 nan 8.270 nan 0.000 0.425 568 L N -0.123 121.175 121.223 0.126 0.000 2.017 568 L HA -0.182 4.159 4.340 0.001 0.000 0.208 568 L C 2.252 179.190 176.870 0.115 0.000 1.073 568 L CA 1.225 56.170 54.840 0.175 0.000 0.745 568 L CB -0.241 41.870 42.059 0.088 0.000 0.894 568 L HN 0.212 nan 8.230 nan 0.000 0.432 569 V N -0.514 119.425 119.914 0.041 0.000 2.407 569 V HA -0.283 3.838 4.120 0.001 0.000 0.248 569 V C 2.099 178.210 176.094 0.028 0.000 1.055 569 V CA 1.863 64.179 62.300 0.027 0.000 1.049 569 V CB -0.845 30.976 31.823 -0.003 0.000 0.662 569 V HN 0.460 nan 8.190 nan 0.000 0.455 570 D N -0.551 119.829 120.400 -0.033 0.000 2.117 570 D HA -0.172 4.469 4.640 0.001 0.000 0.197 570 D C 2.100 178.383 176.300 -0.028 0.000 0.987 570 D CA 1.653 55.601 54.000 -0.086 0.000 0.829 570 D CB -0.362 40.304 40.800 -0.223 0.000 0.961 570 D HN 0.573 nan 8.370 nan 0.000 0.460 571 Y N 0.471 120.818 120.300 0.078 0.000 2.163 571 Y HA -0.129 4.421 4.550 0.001 0.000 0.288 571 Y C 2.703 178.611 175.900 0.013 0.000 1.136 571 Y CA 0.702 58.863 58.100 0.101 0.000 1.147 571 Y CB -0.159 38.340 38.460 0.064 0.000 0.987 571 Y HN -0.121 nan 8.280 nan 0.000 0.509 572 M N -0.189 119.505 119.600 0.156 0.000 2.067 572 M HA -0.261 4.220 4.480 0.001 0.000 0.260 572 M C 2.206 178.668 176.300 0.270 0.000 1.069 572 M CA 1.899 57.308 55.300 0.182 0.000 1.117 572 M CB -0.381 32.362 32.600 0.237 0.000 1.334 572 M HN 0.229 nan 8.290 nan 0.000 0.407 573 E N 0.713 121.017 120.200 0.173 0.000 2.048 573 E HA -0.316 4.034 4.350 0.001 0.000 0.202 573 E C 1.836 178.523 176.600 0.144 0.000 1.021 573 E CA 2.139 58.615 56.400 0.127 0.000 0.825 573 E CB -0.175 29.566 29.700 0.069 0.000 0.756 573 E HN 0.510 nan 8.360 nan 0.000 0.454 574 E N -0.750 119.547 120.200 0.162 0.000 2.147 574 E HA -0.263 4.087 4.350 0.001 0.000 0.199 574 E C 1.901 178.627 176.600 0.211 0.000 1.005 574 E CA 1.459 57.968 56.400 0.180 0.000 0.810 574 E CB -0.317 29.534 29.700 0.251 0.000 0.736 574 E HN 0.395 nan 8.360 nan 0.000 0.460 575 F N 0.548 120.572 119.950 0.123 0.000 2.163 575 F HA -0.123 4.405 4.527 0.001 0.000 0.297 575 F C 2.084 177.943 175.800 0.098 0.000 1.094 575 F CA 1.176 59.239 58.000 0.106 0.000 1.290 575 F CB -0.167 38.849 39.000 0.027 0.000 1.017 575 F HN -0.099 nan 8.300 nan 0.000 0.483 576 V N 0.504 120.531 119.914 0.189 0.000 2.343 576 V HA -0.301 3.820 4.120 0.001 0.000 0.247 576 V C 1.658 177.708 176.094 -0.073 0.000 1.051 576 V CA 1.985 64.307 62.300 0.035 0.000 1.036 576 V CB -0.837 31.014 31.823 0.047 0.000 0.654 576 V HN 0.228 nan 8.190 nan 0.000 0.451 577 K N 0.652 121.031 120.400 -0.035 0.000 2.665 577 K HA 0.127 4.448 4.320 0.001 0.000 0.214 577 K C 0.295 176.847 176.600 -0.079 0.000 1.032 577 K CA -0.029 56.228 56.287 -0.050 0.000 1.198 577 K CB -0.044 32.448 32.500 -0.015 0.000 0.941 577 K HN 0.337 nan 8.250 nan 0.000 0.491 578 K N 1.823 122.131 120.400 -0.154 0.000 2.143 578 K HA 0.070 4.391 4.320 0.001 0.000 0.272 578 K C 0.273 176.776 176.600 -0.161 0.000 1.001 578 K CA -0.304 55.878 56.287 -0.175 0.000 0.915 578 K CB 1.042 33.354 32.500 -0.314 0.000 1.047 578 K HN 0.090 nan 8.250 nan 0.000 0.458 579 T N 0.205 114.691 114.554 -0.114 0.000 2.828 579 T HA 0.214 4.564 4.350 0.001 0.000 0.290 579 T C 1.334 175.973 174.700 -0.102 0.000 1.019 579 T CA -0.085 61.960 62.100 -0.093 0.000 1.031 579 T CB 1.380 70.210 68.868 -0.063 0.000 1.001 579 T HN 0.564 nan 8.240 nan 0.000 0.531 580 A N 1.263 124.036 122.820 -0.079 0.000 1.978 580 A HA 0.122 4.442 4.320 0.001 0.000 0.220 580 A C 2.568 180.121 177.584 -0.051 0.000 1.170 580 A CA 1.978 53.976 52.037 -0.065 0.000 0.636 580 A CB -1.436 17.540 19.000 -0.040 0.000 0.810 580 A HN 1.255 nan 8.150 nan 0.000 0.448 581 A N -1.318 121.475 122.820 -0.046 0.000 1.984 581 A HA -0.017 4.304 4.320 0.001 0.000 0.214 581 A C 2.050 179.609 177.584 -0.041 0.000 1.173 581 A CA 1.092 53.108 52.037 -0.035 0.000 0.673 581 A CB -0.363 18.621 19.000 -0.028 0.000 0.830 581 A HN 0.593 nan 8.150 nan 0.000 0.453 582 Q N -0.349 119.418 119.800 -0.055 0.000 2.124 582 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 582 Q C 2.368 178.333 176.000 -0.059 0.000 0.977 582 Q CA 1.389 57.158 55.803 -0.056 0.000 0.850 582 Q CB -0.329 28.370 28.738 -0.065 0.000 0.901 582 Q HN 0.685 nan 8.270 nan 0.000 0.429 583 A N 0.977 123.741 122.820 -0.092 0.000 1.872 583 A HA -0.121 4.200 4.320 0.001 0.000 0.214 583 A C 1.965 179.541 177.584 -0.014 0.000 1.187 583 A CA 0.889 52.875 52.037 -0.086 0.000 0.614 583 A CB -0.506 18.395 19.000 -0.165 0.000 0.826 583 A HN 0.285 nan 8.150 nan 0.000 0.442 584 I N 0.274 120.831 120.570 -0.021 0.000 2.700 584 I HA -0.207 3.963 4.170 0.001 0.000 0.261 584 I C 1.884 177.999 176.117 -0.004 0.000 1.219 584 I CA 0.814 62.111 61.300 -0.007 0.000 1.463 584 I CB -0.686 37.312 38.000 -0.004 0.000 1.092 584 I HN 0.325 nan 8.210 nan 0.000 0.452 585 N N 1.014 119.705 118.700 -0.014 0.000 2.051 585 N HA -0.186 4.555 4.740 0.001 0.000 0.192 585 N C 1.783 177.280 175.510 -0.021 0.000 1.049 585 N CA 1.153 54.188 53.050 -0.024 0.000 0.845 585 N CB -0.462 38.002 38.487 -0.040 0.000 1.031 585 N HN 0.340 nan 8.380 nan 0.000 0.425 586 Q N 0.736 120.536 119.800 0.000 0.000 1.967 586 Q HA -0.172 4.169 4.340 0.001 0.000 0.210 586 Q C 2.046 178.082 176.000 0.060 0.000 1.005 586 Q CA 1.611 57.436 55.803 0.036 0.000 0.862 586 Q CB -0.020 28.798 28.738 0.134 0.000 0.939 586 Q HN 0.203 nan 8.270 nan 0.000 0.417 587 R N 0.153 120.701 120.500 0.080 0.000 2.165 587 R HA -0.197 4.144 4.340 0.001 0.000 0.254 587 R C 1.808 178.136 176.300 0.047 0.000 1.153 587 R CA 1.726 57.865 56.100 0.064 0.000 0.971 587 R CB -0.766 29.551 30.300 0.029 0.000 0.878 587 R HN 0.430 nan 8.270 nan 0.000 0.449 588 N N 0.263 118.982 118.700 0.031 0.000 2.309 588 N HA -0.090 4.651 4.740 0.001 0.000 0.182 588 N C 1.791 177.330 175.510 0.048 0.000 1.018 588 N CA 0.823 53.893 53.050 0.032 0.000 0.876 588 N CB -0.124 38.373 38.487 0.018 0.000 0.972 588 N HN 0.275 nan 8.380 nan 0.000 0.434 589 R N -0.007 120.517 120.500 0.039 0.000 2.062 589 R HA -0.041 4.299 4.340 0.001 0.000 0.226 589 R C 2.304 178.725 176.300 0.200 0.000 1.125 589 R CA 1.636 57.782 56.100 0.076 0.000 0.966 589 R CB -0.534 29.697 30.300 -0.115 0.000 0.861 589 R HN 0.353 nan 8.270 nan 0.000 0.433 590 T N -1.106 113.543 114.554 0.157 0.000 2.759 590 T HA -0.200 4.151 4.350 0.001 0.000 0.269 590 T C 1.748 176.514 174.700 0.110 0.000 1.042 590 T CA 1.544 63.737 62.100 0.155 0.000 1.140 590 T CB -0.165 68.778 68.868 0.125 0.000 0.864 590 T HN 0.306 nan 8.240 nan 0.000 0.455 591 E N 0.540 120.793 120.200 0.087 0.000 2.209 591 E HA -0.119 4.232 4.350 0.001 0.000 0.196 591 E C 2.436 179.075 176.600 0.065 0.000 0.993 591 E CA 0.734 57.173 56.400 0.064 0.000 0.819 591 E CB -0.011 29.721 29.700 0.054 0.000 0.745 591 E HN 0.550 nan 8.360 nan 0.000 0.477 592 R N -0.420 120.131 120.500 0.085 0.000 2.210 592 R HA 0.101 4.441 4.340 0.001 0.000 0.203 592 R C 2.273 178.606 176.300 0.054 0.000 1.010 592 R CA 0.098 56.243 56.100 0.074 0.000 1.008 592 R CB 0.098 30.455 30.300 0.094 0.000 0.923 592 R HN 0.238 nan 8.270 nan 0.000 0.469 593 L N 0.939 122.197 121.223 0.058 0.000 2.127 593 L HA -0.225 4.116 4.340 0.001 0.000 0.211 593 L C 2.560 179.446 176.870 0.027 0.000 1.089 593 L CA 1.472 56.321 54.840 0.015 0.000 0.757 593 L CB -0.608 41.467 42.059 0.026 0.000 0.899 593 L HN 0.315 nan 8.230 nan 0.000 0.434 594 S N -0.221 115.499 115.700 0.034 0.000 2.378 594 S HA -0.312 4.158 4.470 0.001 0.000 0.229 594 S C 1.598 176.216 174.600 0.029 0.000 1.052 594 S CA 1.968 60.182 58.200 0.024 0.000 1.084 594 S CB -0.545 62.666 63.200 0.019 0.000 0.950 594 S HN 0.446 nan 8.310 nan 0.000 0.440 595 D N 1.142 121.561 120.400 0.032 0.000 2.351 595 D HA 0.042 4.682 4.640 0.001 0.000 0.216 595 D C 1.838 178.157 176.300 0.032 0.000 0.968 595 D CA 0.582 54.602 54.000 0.034 0.000 0.899 595 D CB -0.195 40.625 40.800 0.033 0.000 0.907 595 D HN 0.432 nan 8.370 nan 0.000 0.514 596 L N 0.097 121.337 121.223 0.029 0.000 2.291 596 L HA -0.058 4.282 4.340 0.001 0.000 0.214 596 L C 1.967 178.878 176.870 0.068 0.000 1.120 596 L CA 0.599 55.462 54.840 0.039 0.000 0.799 596 L CB -0.009 42.060 42.059 0.017 0.000 0.925 596 L HN 0.046 nan 8.230 nan 0.000 0.446 597 L N -1.308 119.949 121.223 0.058 0.000 2.640 597 L HA 0.098 4.438 4.340 0.001 0.000 0.230 597 L C 0.508 177.331 176.870 -0.078 0.000 1.123 597 L CA -0.354 54.510 54.840 0.041 0.000 0.900 597 L CB 0.054 42.170 42.059 0.096 0.000 1.146 597 L HN 0.109 nan 8.230 nan 0.000 0.484 598 D N -1.074 119.306 120.400 -0.035 0.000 2.368 598 D HA -0.089 4.552 4.640 0.001 0.000 0.240 598 D C 0.800 177.052 176.300 -0.080 0.000 1.169 598 D CA 0.258 54.236 54.000 -0.036 0.000 0.906 598 D CB 0.681 41.510 40.800 0.049 0.000 1.187 598 D HN -0.004 nan 8.370 nan 0.000 0.435 599 W N 0.994 122.298 121.300 0.006 0.000 2.363 599 W HA -0.079 4.582 4.660 0.001 0.000 0.296 599 W C 2.191 178.687 176.519 -0.038 0.000 1.212 599 W CA 0.270 57.588 57.345 -0.046 0.000 1.260 599 W CB -0.031 29.376 29.460 -0.088 0.000 1.131 599 W HN 0.454 nan 8.180 nan 0.000 0.530 600 K N -0.105 120.415 120.400 0.200 0.000 2.228 600 K HA -0.246 4.075 4.320 0.001 0.000 0.205 600 K C 2.029 178.686 176.600 0.094 0.000 1.045 600 K CA 1.568 57.923 56.287 0.114 0.000 0.931 600 K CB -0.178 32.367 32.500 0.075 0.000 0.727 600 K HN 0.118 nan 8.250 nan 0.000 0.458 601 R N -0.651 119.901 120.500 0.088 0.000 2.191 601 R HA 0.141 4.482 4.340 0.001 0.000 0.196 601 R C 1.822 178.177 176.300 0.091 0.000 0.991 601 R CA 0.216 56.362 56.100 0.077 0.000 1.075 601 R CB 0.302 30.639 30.300 0.061 0.000 1.040 601 R HN 0.081 nan 8.270 nan 0.000 0.526 602 M N -0.114 119.524 119.600 0.064 0.000 2.419 602 M HA 0.075 4.555 4.480 0.001 0.000 0.264 602 M C 2.003 178.436 176.300 0.221 0.000 1.082 602 M CA 1.126 56.444 55.300 0.030 0.000 1.119 602 M CB -0.369 32.062 32.600 -0.281 0.000 1.398 602 M HN 0.258 nan 8.290 nan 0.000 0.453 603 G N 0.811 109.807 108.800 0.326 0.000 2.470 603 G HA2 -0.104 3.856 3.960 0.001 0.000 0.220 603 G HA3 -0.104 3.856 3.960 0.001 0.000 0.220 603 G C 1.571 176.606 174.900 0.225 0.000 1.121 603 G CA 0.240 45.507 45.100 0.277 0.000 0.766 603 G HN 0.402 nan 8.290 nan 0.000 0.553 604 L N 0.165 121.498 121.223 0.183 0.000 2.362 604 L HA 0.023 4.363 4.340 0.001 0.000 0.219 604 L C 2.519 179.496 176.870 0.179 0.000 1.134 604 L CA 0.511 55.444 54.840 0.154 0.000 0.807 604 L CB -0.246 41.879 42.059 0.111 0.000 0.927 604 L HN 0.095 nan 8.230 nan 0.000 0.447 605 E N -0.244 120.088 120.200 0.220 0.000 2.152 605 E HA -0.149 4.202 4.350 0.001 0.000 0.192 605 E C 2.044 178.786 176.600 0.236 0.000 0.983 605 E CA 1.150 57.669 56.400 0.198 0.000 0.818 605 E CB -0.169 29.634 29.700 0.172 0.000 0.758 605 E HN 0.544 nan 8.360 nan 0.000 0.467 606 Y N 0.111 120.485 120.300 0.122 0.000 2.220 606 Y HA -0.160 4.391 4.550 0.001 0.000 0.291 606 Y C 2.432 178.412 175.900 0.134 0.000 1.129 606 Y CA 0.558 58.745 58.100 0.145 0.000 1.161 606 Y CB 0.011 38.565 38.460 0.157 0.000 0.997 606 Y HN -0.147 nan 8.280 nan 0.000 0.522 607 V N 0.478 120.565 119.914 0.288 0.000 2.332 607 V HA -0.343 3.778 4.120 0.001 0.000 0.248 607 V C 2.027 178.213 176.094 0.155 0.000 1.055 607 V CA 1.935 64.365 62.300 0.216 0.000 1.038 607 V CB -0.537 31.386 31.823 0.168 0.000 0.651 607 V HN 0.379 nan 8.190 nan 0.000 0.450 608 K N 0.184 120.659 120.400 0.125 0.000 2.103 608 K HA -0.185 4.136 4.320 0.001 0.000 0.207 608 K C 2.284 178.905 176.600 0.035 0.000 1.048 608 K CA 1.576 57.910 56.287 0.079 0.000 0.930 608 K CB -0.410 32.128 32.500 0.064 0.000 0.716 608 K HN 0.509 nan 8.250 nan 0.000 0.444 609 A N 1.713 124.542 122.820 0.016 0.000 1.855 609 A HA -0.151 4.169 4.320 0.001 0.000 0.215 609 A C 2.094 179.640 177.584 -0.063 0.000 1.191 609 A CA 1.191 53.190 52.037 -0.064 0.000 0.613 609 A CB -0.384 18.528 19.000 -0.147 0.000 0.829 609 A HN 0.193 nan 8.150 nan 0.000 0.442 610 R N -0.460 120.040 120.500 0.000 0.000 2.083 610 R HA -0.154 4.186 4.340 0.001 0.000 0.237 610 R C 2.467 178.761 176.300 -0.009 0.000 1.137 610 R CA 1.656 57.761 56.100 0.008 0.000 0.951 610 R CB -0.450 29.933 30.300 0.138 0.000 0.851 610 R HN 0.628 nan 8.270 nan 0.000 0.434 611 Q N 0.488 120.320 119.800 0.053 0.000 2.170 611 Q HA -0.151 4.190 4.340 0.001 0.000 0.203 611 Q C 2.231 178.188 176.000 -0.070 0.000 0.976 611 Q CA 0.982 56.835 55.803 0.083 0.000 0.858 611 Q CB -0.151 28.706 28.738 0.198 0.000 0.907 611 Q HN 0.208 nan 8.270 nan 0.000 0.433 612 L N 0.687 121.854 121.223 -0.093 0.000 2.083 612 L HA -0.099 4.241 4.340 0.001 0.000 0.209 612 L C 2.141 178.887 176.870 -0.207 0.000 1.083 612 L CA 1.893 56.628 54.840 -0.174 0.000 0.752 612 L CB -0.605 41.388 42.059 -0.110 0.000 0.899 612 L HN 0.080 nan 8.230 nan 0.000 0.433 613 A N -0.613 122.112 122.820 -0.157 0.000 1.933 613 A HA -0.124 4.196 4.320 0.001 0.000 0.218 613 A C 2.220 179.678 177.584 -0.211 0.000 1.175 613 A CA 1.861 53.801 52.037 -0.161 0.000 0.628 613 A CB -0.718 18.205 19.000 -0.128 0.000 0.814 613 A HN 0.510 nan 8.150 nan 0.000 0.444 614 L N -1.206 119.904 121.223 -0.187 0.000 2.023 614 L HA -0.136 4.204 4.340 0.001 0.000 0.205 614 L C 2.706 179.413 176.870 -0.272 0.000 1.073 614 L CA 1.621 56.374 54.840 -0.144 0.000 0.745 614 L CB -0.500 41.611 42.059 0.086 0.000 0.900 614 L HN 0.424 nan 8.230 nan 0.000 0.435 615 R N 0.742 120.833 120.500 -0.682 0.000 2.154 615 R HA -0.181 4.159 4.340 0.001 0.000 0.248 615 R C 2.179 178.221 176.300 -0.430 0.000 1.155 615 R CA 1.597 57.075 56.100 -1.037 0.000 0.979 615 R CB -0.316 29.079 30.300 -1.508 0.000 0.869 615 R HN 0.227 nan 8.270 nan 0.000 0.452 616 R N -1.287 119.015 120.500 -0.331 0.000 2.200 616 R HA 0.108 4.448 4.340 0.001 0.000 0.208 616 R C 2.043 178.208 176.300 -0.226 0.000 1.033 616 R CA 0.962 56.929 56.100 -0.222 0.000 1.000 616 R CB -0.001 30.192 30.300 -0.178 0.000 0.906 616 R HN 0.469 nan 8.270 nan 0.000 0.462 617 G N -0.801 107.789 108.800 -0.351 0.000 2.459 617 G HA2 -0.121 3.840 3.960 0.001 0.000 0.213 617 G HA3 -0.121 3.840 3.960 0.001 0.000 0.213 617 G C 0.435 175.008 174.900 -0.546 0.000 1.155 617 G CA 0.187 44.945 45.100 -0.569 0.000 0.811 617 G HN 0.277 nan 8.290 nan 0.000 0.534 618 Y N 0.128 120.438 120.300 0.018 0.000 2.470 618 Y HA 0.289 4.839 4.550 0.001 0.000 0.352 618 Y C -1.747 174.202 175.900 0.082 0.000 0.967 618 Y CA -1.915 56.220 58.100 0.058 0.000 1.121 618 Y CB 1.736 40.251 38.460 0.091 0.000 1.149 618 Y HN 0.068 nan 8.280 nan 0.000 0.641 619 P HA -0.180 nan 4.420 nan 0.000 0.217 619 P C 0.847 178.245 177.300 0.164 0.000 1.148 619 P CA 1.697 64.858 63.100 0.101 0.000 0.828 619 P CB 0.475 32.203 31.700 0.046 0.000 0.783 620 D N -0.717 119.777 120.400 0.156 0.000 2.085 620 D HA -0.113 4.528 4.640 0.001 0.000 0.199 620 D C 2.097 178.486 176.300 0.148 0.000 0.981 620 D CA 1.061 55.139 54.000 0.129 0.000 0.834 620 D CB -0.730 40.126 40.800 0.094 0.000 0.992 620 D HN 0.282 nan 8.370 nan 0.000 0.457 621 Q N -0.309 119.591 119.800 0.167 0.000 2.234 621 Q HA -0.165 4.175 4.340 0.001 0.000 0.206 621 Q C 2.083 178.180 176.000 0.162 0.000 0.980 621 Q CA 0.761 56.645 55.803 0.134 0.000 0.869 621 Q CB -0.252 28.550 28.738 0.107 0.000 0.912 621 Q HN 0.279 nan 8.270 nan 0.000 0.436 622 F N 1.405 121.411 119.950 0.094 0.000 2.146 622 F HA -0.146 4.381 4.527 0.001 0.000 0.298 622 F C 2.618 178.450 175.800 0.053 0.000 1.096 622 F CA 1.289 59.335 58.000 0.078 0.000 1.275 622 F CB 0.043 39.087 39.000 0.073 0.000 1.008 622 F HN -0.115 nan 8.300 nan 0.000 0.480 623 R N 0.495 121.120 120.500 0.208 0.000 2.091 623 R HA -0.185 4.156 4.340 0.001 0.000 0.238 623 R C 2.158 178.471 176.300 0.022 0.000 1.136 623 R CA 1.961 58.129 56.100 0.113 0.000 0.959 623 R CB -0.294 30.070 30.300 0.108 0.000 0.856 623 R HN 0.281 nan 8.270 nan 0.000 0.437 624 E N 0.535 120.744 120.200 0.015 0.000 2.051 624 E HA -0.234 4.116 4.350 0.001 0.000 0.192 624 E C 2.032 178.600 176.600 -0.054 0.000 0.991 624 E CA 1.003 57.396 56.400 -0.011 0.000 0.799 624 E CB -0.388 29.312 29.700 0.000 0.000 0.748 624 E HN 0.315 nan 8.360 nan 0.000 0.449 625 L N 0.531 121.688 121.223 -0.110 0.000 2.275 625 L HA -0.090 4.251 4.340 0.001 0.000 0.215 625 L C 2.063 178.818 176.870 -0.192 0.000 1.119 625 L CA 0.789 55.530 54.840 -0.165 0.000 0.790 625 L CB 0.280 42.193 42.059 -0.243 0.000 0.919 625 L HN -0.098 nan 8.230 nan 0.000 0.443 626 V N -1.596 118.199 119.914 -0.197 0.000 3.379 626 V HA 0.384 4.505 4.120 0.001 0.000 0.249 626 V C 1.588 177.650 176.094 -0.053 0.000 1.184 626 V CA 0.735 62.949 62.300 -0.144 0.000 1.106 626 V CB 0.243 31.977 31.823 -0.149 0.000 0.826 626 V HN 0.503 nan 8.190 nan 0.000 0.465 627 G N 1.297 110.077 108.800 -0.032 0.000 2.157 627 G HA2 -0.178 3.782 3.960 0.001 0.000 0.239 627 G HA3 -0.178 3.782 3.960 0.001 0.000 0.239 627 G C 0.083 174.990 174.900 0.011 0.000 0.982 627 G CA 0.475 45.570 45.100 -0.008 0.000 0.650 627 G HN 0.688 nan 8.290 nan 0.000 0.527 628 E N -0.959 119.257 120.200 0.026 0.000 2.281 628 E HA 0.479 4.830 4.350 0.001 0.000 0.255 628 E C -1.012 175.631 176.600 0.072 0.000 1.229 628 E CA -0.663 55.762 56.400 0.043 0.000 0.908 628 E CB 0.136 29.859 29.700 0.040 0.000 1.670 628 E HN 0.497 nan 8.360 nan 0.000 0.480 629 E N 1.547 121.791 120.200 0.073 0.000 2.145 629 E HA 0.510 4.861 4.350 0.001 0.000 0.262 629 E C -0.744 175.909 176.600 0.090 0.000 0.883 629 E CA -0.736 55.721 56.400 0.095 0.000 0.748 629 E CB 1.255 30.999 29.700 0.072 0.000 1.140 629 E HN 0.331 nan 8.360 nan 0.000 0.417 630 L N 2.518 123.817 121.223 0.126 0.000 2.421 630 L HA 0.299 4.639 4.340 0.001 0.000 0.263 630 L C 0.607 177.510 176.870 0.055 0.000 1.122 630 L CA -1.072 53.829 54.840 0.102 0.000 0.804 630 L CB 0.777 42.931 42.059 0.159 0.000 1.150 630 L HN 0.610 nan 8.230 nan 0.000 0.457 631 N N 1.217 119.938 118.700 0.035 0.000 2.518 631 N HA -0.010 4.731 4.740 0.001 0.000 0.266 631 N C -0.532 174.967 175.510 -0.019 0.000 1.196 631 N CA -0.116 52.940 53.050 0.010 0.000 0.947 631 N CB 0.700 39.196 38.487 0.013 0.000 1.098 631 N HN 0.582 nan 8.380 nan 0.000 0.450 632 D N 0.043 120.421 120.400 -0.036 0.000 2.804 632 D HA 0.135 4.775 4.640 0.001 0.000 0.308 632 D C -0.169 176.101 176.300 -0.049 0.000 1.371 632 D CA -0.318 53.641 54.000 -0.070 0.000 0.823 632 D CB -0.587 40.150 40.800 -0.105 0.000 1.126 632 D HN 0.342 nan 8.370 nan 0.000 0.467 633 S N -0.831 114.853 115.700 -0.027 0.000 2.514 633 S HA 0.200 4.671 4.470 0.001 0.000 0.223 633 S C 0.707 175.301 174.600 -0.009 0.000 1.046 633 S CA -0.223 57.968 58.200 -0.015 0.000 0.914 633 S CB 0.177 63.375 63.200 -0.003 0.000 0.807 633 S HN 0.164 nan 8.310 nan 0.000 0.497 634 N N 0.586 119.280 118.700 -0.011 0.000 2.629 634 N HA 0.480 5.220 4.740 0.001 0.000 0.279 634 N C 0.320 175.820 175.510 -0.017 0.000 1.344 634 N CA -0.670 52.374 53.050 -0.009 0.000 0.789 634 N CB 0.792 39.280 38.487 0.003 0.000 1.508 634 N HN 0.047 nan 8.380 nan 0.000 0.516 635 M N -0.457 119.133 119.600 -0.016 0.000 2.388 635 M HA 0.082 4.563 4.480 0.001 0.000 0.265 635 M C 0.138 176.446 176.300 0.012 0.000 1.088 635 M CA 0.978 56.272 55.300 -0.010 0.000 1.134 635 M CB -0.089 32.501 32.600 -0.016 0.000 1.384 635 M HN 0.302 nan 8.290 nan 0.000 0.447 636 D N 1.276 121.685 120.400 0.015 0.000 2.183 636 D HA 0.064 4.705 4.640 0.001 0.000 0.205 636 D C 2.164 178.479 176.300 0.025 0.000 0.962 636 D CA 1.166 55.181 54.000 0.026 0.000 0.849 636 D CB -0.014 40.803 40.800 0.028 0.000 0.978 636 D HN 0.286 nan 8.370 nan 0.000 0.488 637 A N 0.546 123.376 122.820 0.017 0.000 1.978 637 A HA -0.152 4.169 4.320 0.001 0.000 0.220 637 A C 2.096 179.693 177.584 0.021 0.000 1.170 637 A CA 0.961 53.008 52.037 0.016 0.000 0.636 637 A CB -0.509 18.496 19.000 0.009 0.000 0.810 637 A HN 0.239 nan 8.150 nan 0.000 0.448 638 L N -1.074 120.160 121.223 0.019 0.000 2.007 638 L HA 0.280 4.621 4.340 0.001 0.000 0.205 638 L C 1.518 178.424 176.870 0.061 0.000 1.073 638 L CA 1.676 56.537 54.840 0.035 0.000 0.744 638 L CB -0.562 41.508 42.059 0.019 0.000 0.898 638 L HN 0.372 nan 8.230 nan 0.000 0.435 639 A N 0.000 122.854 122.820 0.057 0.000 2.254 639 A HA 0.000 4.321 4.320 0.001 0.000 0.244 639 A CA 0.000 52.073 52.037 0.061 0.000 0.836 639 A CB 0.000 19.040 19.000 0.067 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486