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_D 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 58.140 58.200 -0.100 0.000 1.107 2 S CB 0.000 63.156 63.200 -0.073 0.000 0.593 3 R N 0.826 121.227 120.500 -0.164 0.000 2.720 3 R HA 0.503 4.841 4.340 -0.004 0.000 0.272 3 R C -1.119 175.143 176.300 -0.064 0.000 0.991 3 R CA -0.994 55.034 56.100 -0.120 0.000 1.010 3 R CB 0.807 31.016 30.300 -0.152 0.000 1.141 3 R HN 0.455 nan 8.270 nan 0.000 0.494 4 D N 2.072 122.479 120.400 0.010 0.000 2.393 4 D HA 0.087 4.725 4.640 -0.004 0.000 0.232 4 D C 1.026 177.424 176.300 0.162 0.000 1.192 4 D CA -0.064 53.978 54.000 0.069 0.000 0.882 4 D CB 0.745 41.590 40.800 0.074 0.000 1.038 4 D HN 0.406 nan 8.370 nan 0.000 0.499 5 L N 2.487 123.800 121.223 0.150 0.000 2.141 5 L HA -0.147 4.191 4.340 -0.004 0.000 0.209 5 L C 2.087 179.125 176.870 0.280 0.000 1.094 5 L CA 0.694 55.671 54.840 0.228 0.000 0.763 5 L CB -0.334 41.860 42.059 0.224 0.000 0.908 5 L HN 0.426 nan 8.230 nan 0.000 0.437 6 Q N 1.687 121.605 119.800 0.195 0.000 1.948 6 Q HA -0.187 4.150 4.340 -0.004 0.000 0.205 6 Q C 1.002 177.147 176.000 0.241 0.000 0.992 6 Q CA 1.664 57.572 55.803 0.175 0.000 0.849 6 Q CB -0.236 28.553 28.738 0.086 0.000 0.918 6 Q HN 0.492 nan 8.270 nan 0.000 0.421 7 N N 0.754 119.580 118.700 0.211 0.000 2.558 7 N HA 0.164 4.902 4.740 -0.004 0.000 0.233 7 N C -1.185 174.538 175.510 0.354 0.000 1.038 7 N CA -0.319 52.853 53.050 0.204 0.000 0.934 7 N CB 0.157 38.762 38.487 0.196 0.000 1.175 7 N HN 0.412 nan 8.380 nan 0.000 0.512 8 H N 0.970 120.222 119.070 0.304 0.000 2.858 8 H HA 0.714 5.268 4.556 -0.004 0.000 0.318 8 H C -1.167 174.301 175.328 0.233 0.000 1.419 8 H CA -1.221 55.004 56.048 0.295 0.000 1.373 8 H CB 0.605 30.526 29.762 0.266 0.000 1.915 8 H HN 0.213 nan 8.280 nan 0.000 0.704 9 L N 0.819 122.210 121.223 0.281 0.000 2.334 9 L HA 0.385 4.723 4.340 -0.004 0.000 0.276 9 L C -1.280 175.577 176.870 -0.023 0.000 1.014 9 L CA -0.708 54.141 54.840 0.015 0.000 0.815 9 L CB 1.719 43.745 42.059 -0.055 0.000 1.268 9 L HN 0.624 nan 8.230 nan 0.000 0.428 10 L N 3.903 124.949 121.223 -0.294 0.000 2.349 10 L HA 0.614 4.952 4.340 -0.004 0.000 0.278 10 L C -1.601 175.022 176.870 -0.411 0.000 0.996 10 L CA -0.049 54.635 54.840 -0.259 0.000 0.825 10 L CB 1.049 42.849 42.059 -0.432 0.000 1.243 10 L HN 0.294 nan 8.230 nan 0.000 0.412 11 F N 3.474 123.461 119.950 0.063 0.000 2.434 11 F HA 0.456 4.981 4.527 -0.003 0.000 0.355 11 F C 0.307 176.047 175.800 -0.099 0.000 1.115 11 F CA -0.556 57.433 58.000 -0.018 0.000 1.010 11 F CB 1.411 40.420 39.000 0.015 0.000 1.234 11 F HN 0.463 nan 8.300 nan 0.000 0.439 12 E N 1.974 122.203 120.200 0.049 0.000 2.174 12 E HA 0.473 4.821 4.350 -0.004 0.000 0.282 12 E C -0.906 175.652 176.600 -0.069 0.000 0.992 12 E CA -0.334 56.075 56.400 0.015 0.000 0.803 12 E CB 1.050 30.843 29.700 0.154 0.000 1.090 12 E HN 0.490 nan 8.360 nan 0.000 0.396 13 T N 2.370 116.823 114.554 -0.170 0.000 2.792 13 T HA 0.734 5.082 4.350 -0.004 0.000 0.280 13 T C -0.999 173.735 174.700 0.057 0.000 0.990 13 T CA -0.611 61.421 62.100 -0.113 0.000 0.960 13 T CB 1.486 70.202 68.868 -0.254 0.000 0.939 13 T HN 0.510 nan 8.240 nan 0.000 0.439 14 A N 1.883 124.736 122.820 0.054 0.000 2.606 14 A HA 0.663 4.981 4.320 -0.004 0.000 0.293 14 A C 0.987 178.573 177.584 0.003 0.000 1.082 14 A CA -0.803 51.283 52.037 0.082 0.000 0.685 14 A CB 0.659 19.721 19.000 0.103 0.000 1.284 14 A HN 0.618 nan 8.150 nan 0.000 0.408 15 T N 0.282 114.832 114.554 -0.007 0.000 2.897 15 T HA -0.096 4.251 4.350 -0.004 0.000 0.271 15 T C 1.190 175.858 174.700 -0.054 0.000 1.084 15 T CA 2.349 64.425 62.100 -0.040 0.000 1.123 15 T CB -0.074 68.752 68.868 -0.069 0.000 0.865 15 T HN 0.694 nan 8.240 nan 0.000 0.496 16 E N 0.613 120.781 120.200 -0.054 0.000 2.385 16 E HA 0.058 4.406 4.350 -0.004 0.000 0.194 16 E C 2.158 178.668 176.600 -0.149 0.000 1.013 16 E CA 0.081 56.462 56.400 -0.031 0.000 0.866 16 E CB -0.449 29.273 29.700 0.038 0.000 0.832 16 E HN 0.413 nan 8.360 nan 0.000 0.500 17 V N 0.418 120.162 119.914 -0.283 0.000 2.300 17 V HA -0.392 3.725 4.120 -0.004 0.000 0.247 17 V C 1.647 177.049 176.094 -1.154 0.000 1.018 17 V CA 2.030 63.946 62.300 -0.640 0.000 1.089 17 V CB -1.302 30.210 31.823 -0.518 0.000 0.741 17 V HN 0.296 nan 8.190 nan 0.000 0.500 18 A N 2.450 124.766 122.820 -0.841 0.000 3.181 18 A HA 0.597 4.915 4.320 -0.004 0.000 0.293 18 A C 0.316 177.801 177.584 -0.165 0.000 1.346 18 A CA 0.167 51.706 52.037 -0.830 0.000 1.018 18 A CB -1.439 17.122 19.000 -0.731 0.000 1.093 18 A HN 1.151 nan 8.150 nan 0.000 0.629 19 N N -1.529 117.196 118.700 0.043 0.000 2.648 19 N HA 0.206 4.944 4.740 -0.004 0.000 0.272 19 N C -0.812 174.814 175.510 0.192 0.000 1.118 19 N CA -0.723 52.416 53.050 0.149 0.000 0.973 19 N CB 0.804 39.312 38.487 0.034 0.000 1.565 19 N HN 0.161 nan 8.380 nan 0.000 0.542 20 R N 2.311 122.752 120.500 -0.099 0.000 2.483 20 R HA 0.127 4.465 4.340 -0.004 0.000 0.329 20 R C -0.429 175.786 176.300 -0.142 0.000 0.961 20 R CA 0.277 56.120 56.100 -0.429 0.000 1.041 20 R CB 0.313 30.124 30.300 -0.815 0.000 0.930 20 R HN 0.683 nan 8.270 nan 0.000 0.413 21 V N 3.125 123.010 119.914 -0.048 0.000 3.193 21 V HA 0.249 4.367 4.120 -0.004 0.000 0.237 21 V C 0.811 176.901 176.094 -0.008 0.000 1.447 21 V CA 0.708 62.994 62.300 -0.024 0.000 1.227 21 V CB 0.910 32.731 31.823 -0.003 0.000 1.040 21 V HN 0.864 nan 8.190 nan 0.000 0.458 22 G N -0.685 108.123 108.800 0.013 0.000 3.209 22 G HA2 0.521 4.479 3.960 -0.004 0.000 0.236 22 G HA3 0.521 4.479 3.960 -0.004 0.000 0.236 22 G C 0.714 175.640 174.900 0.043 0.000 1.329 22 G CA 0.289 45.404 45.100 0.024 0.000 1.015 22 G HN 0.234 nan 8.290 nan 0.000 0.571 23 G N -0.953 107.879 108.800 0.054 0.000 2.887 23 G HA2 0.125 4.083 3.960 -0.004 0.000 0.211 23 G HA3 0.125 4.083 3.960 -0.004 0.000 0.211 23 G C 1.424 176.375 174.900 0.086 0.000 1.152 23 G CA 0.041 45.197 45.100 0.094 0.000 0.769 23 G HN 0.416 nan 8.290 nan 0.000 0.541 24 I N -0.184 120.374 120.570 -0.020 0.000 2.286 24 I HA -0.193 3.975 4.170 -0.004 0.000 0.248 24 I C 2.341 178.466 176.117 0.013 0.000 1.115 24 I CA 1.043 62.259 61.300 -0.141 0.000 1.392 24 I CB -0.343 37.490 38.000 -0.279 0.000 1.065 24 I HN 0.272 nan 8.210 nan 0.000 0.418 25 Y N 2.016 122.297 120.300 -0.032 0.000 2.062 25 Y HA -0.412 4.136 4.550 -0.004 0.000 0.276 25 Y C 2.867 178.817 175.900 0.082 0.000 1.189 25 Y CA 2.404 60.541 58.100 0.061 0.000 1.130 25 Y CB -0.276 38.218 38.460 0.056 0.000 0.959 25 Y HN 0.069 nan 8.280 nan 0.000 0.499 26 S N -0.415 115.487 115.700 0.336 0.000 2.353 26 S HA -0.235 4.233 4.470 -0.004 0.000 0.222 26 S C 2.033 176.672 174.600 0.066 0.000 1.035 26 S CA 1.522 59.812 58.200 0.151 0.000 1.025 26 S CB -0.850 62.339 63.200 -0.018 0.000 0.902 26 S HN 0.374 nan 8.310 nan 0.000 0.440 27 V N 2.440 122.431 119.914 0.128 0.000 2.231 27 V HA -0.245 3.872 4.120 -0.004 0.000 0.250 27 V C 2.253 178.360 176.094 0.022 0.000 1.058 27 V CA 1.949 64.364 62.300 0.191 0.000 1.022 27 V CB -0.887 31.026 31.823 0.151 0.000 0.640 27 V HN 0.421 nan 8.190 nan 0.000 0.445 28 L N -0.204 120.981 121.223 -0.063 0.000 2.046 28 L HA -0.227 4.111 4.340 -0.004 0.000 0.208 28 L C 2.622 179.415 176.870 -0.128 0.000 1.077 28 L CA 2.190 56.974 54.840 -0.093 0.000 0.747 28 L CB -0.715 41.345 42.059 0.002 0.000 0.896 28 L HN 0.386 nan 8.230 nan 0.000 0.432 29 K N 0.464 120.757 120.400 -0.180 0.000 2.057 29 K HA -0.198 4.120 4.320 -0.004 0.000 0.207 29 K C 2.198 178.595 176.600 -0.338 0.000 1.049 29 K CA 1.888 57.893 56.287 -0.469 0.000 0.931 29 K CB -0.052 32.108 32.500 -0.567 0.000 0.714 29 K HN 0.361 nan 8.250 nan 0.000 0.440 30 S N -0.283 115.320 115.700 -0.162 0.000 2.527 30 S HA -0.001 4.467 4.470 -0.004 0.000 0.222 30 S C 1.737 176.184 174.600 -0.255 0.000 0.985 30 S CA 0.421 58.602 58.200 -0.032 0.000 0.921 30 S CB 0.169 63.510 63.200 0.235 0.000 0.772 30 S HN 0.334 nan 8.310 nan 0.000 0.529 31 K N 0.802 120.828 120.400 -0.624 0.000 2.379 31 K HA 0.362 4.680 4.320 -0.004 0.000 0.194 31 K C 2.052 178.209 176.600 -0.738 0.000 1.031 31 K CA 0.570 56.064 56.287 -1.321 0.000 1.037 31 K CB -0.299 31.269 32.500 -1.552 0.000 0.824 31 K HN 0.386 nan 8.250 nan 0.000 0.516 32 A N 2.409 124.963 122.820 -0.445 0.000 1.851 32 A HA -0.093 4.225 4.320 -0.004 0.000 0.216 32 A C -0.715 176.707 177.584 -0.270 0.000 1.195 32 A CA 1.179 53.047 52.037 -0.281 0.000 0.622 32 A CB -1.553 17.305 19.000 -0.237 0.000 0.831 32 A HN 0.243 nan 8.150 nan 0.000 0.444 33 P HA -0.183 nan 4.420 nan 0.000 0.216 33 P C 1.429 178.622 177.300 -0.178 0.000 1.157 33 P CA 1.223 64.215 63.100 -0.180 0.000 0.880 33 P CB -0.069 31.545 31.700 -0.142 0.000 0.791 34 I N -0.797 119.637 120.570 -0.227 0.000 2.353 34 I HA -0.157 4.011 4.170 -0.004 0.000 0.248 34 I C 2.090 178.074 176.117 -0.222 0.000 1.119 34 I CA 2.005 63.190 61.300 -0.192 0.000 1.417 34 I CB -1.269 36.634 38.000 -0.161 0.000 1.078 34 I HN 0.034 nan 8.210 nan 0.000 0.421 35 T N -3.210 111.151 114.554 -0.321 0.000 3.043 35 T HA 0.001 4.349 4.350 -0.004 0.000 0.263 35 T C 1.895 176.433 174.700 -0.270 0.000 1.094 35 T CA 1.021 62.930 62.100 -0.318 0.000 1.127 35 T CB -0.656 67.863 68.868 -0.582 0.000 0.905 35 T HN 0.074 nan 8.240 nan 0.000 0.490 36 V N 1.844 121.620 119.914 -0.231 0.000 2.453 36 V HA 0.052 4.170 4.120 -0.004 0.000 0.247 36 V C 3.245 179.286 176.094 -0.089 0.000 1.048 36 V CA 1.435 63.682 62.300 -0.089 0.000 1.049 36 V CB -1.265 30.526 31.823 -0.053 0.000 0.672 36 V HN 0.677 nan 8.190 nan 0.000 0.457 37 A N -0.743 122.005 122.820 -0.120 0.000 1.908 37 A HA -0.323 3.995 4.320 -0.004 0.000 0.218 37 A C 2.244 179.738 177.584 -0.149 0.000 1.181 37 A CA 2.337 54.305 52.037 -0.116 0.000 0.627 37 A CB -0.480 18.454 19.000 -0.109 0.000 0.818 37 A HN 0.604 nan 8.150 nan 0.000 0.445 38 Q N -1.913 117.767 119.800 -0.200 0.000 2.033 38 Q HA -0.132 4.206 4.340 -0.004 0.000 0.196 38 Q C 1.530 177.280 176.000 -0.417 0.000 0.970 38 Q CA 1.557 57.151 55.803 -0.348 0.000 0.828 38 Q CB -0.134 28.299 28.738 -0.509 0.000 0.895 38 Q HN 0.746 nan 8.270 nan 0.000 0.440 39 Y N 0.295 120.474 120.300 -0.202 0.000 2.466 39 Y HA 0.092 4.640 4.550 -0.004 0.000 0.272 39 Y C 1.162 176.968 175.900 -0.156 0.000 1.169 39 Y CA 0.086 58.072 58.100 -0.190 0.000 1.285 39 Y CB 0.304 38.680 38.460 -0.140 0.000 1.078 39 Y HN 0.091 nan 8.280 nan 0.000 0.523 40 K N 0.203 120.592 120.400 -0.018 0.000 1.783 40 K HA -0.317 4.001 4.320 -0.004 0.000 0.115 40 K C 0.509 177.144 176.600 0.058 0.000 1.071 40 K CA 2.237 58.520 56.287 -0.007 0.000 0.377 40 K CB -1.170 31.297 32.500 -0.055 0.000 0.613 40 K HN 0.161 nan 8.250 nan 0.000 0.922 41 D N -0.469 119.986 120.400 0.091 0.000 2.325 41 D HA 0.047 4.684 4.640 -0.004 0.000 0.225 41 D C 0.723 177.148 176.300 0.208 0.000 1.096 41 D CA 0.344 54.402 54.000 0.096 0.000 0.844 41 D CB -0.048 40.811 40.800 0.099 0.000 0.925 41 D HN 0.316 nan 8.370 nan 0.000 0.513 42 H N -1.188 117.880 119.070 -0.003 0.000 2.548 42 H HA 0.059 4.613 4.556 -0.003 0.000 0.265 42 H C -0.292 174.992 175.328 -0.073 0.000 0.969 42 H CA 0.092 56.126 56.048 -0.023 0.000 1.155 42 H CB -0.144 29.596 29.762 -0.037 0.000 1.394 42 H HN 0.130 nan 8.280 nan 0.000 0.570 43 Y N 1.146 121.366 120.300 -0.132 0.000 2.331 43 Y HA 0.389 4.937 4.550 -0.003 0.000 0.338 43 Y C -1.040 174.644 175.900 -0.361 0.000 0.976 43 Y CA -1.354 56.587 58.100 -0.265 0.000 1.137 43 Y CB 0.283 38.627 38.460 -0.194 0.000 1.172 43 Y HN 0.055 nan 8.280 nan 0.000 0.478 44 H N 5.186 123.872 119.070 -0.641 0.000 2.600 44 H HA 0.511 5.065 4.556 -0.003 0.000 0.357 44 H C -1.127 173.862 175.328 -0.564 0.000 1.106 44 H CA -0.731 55.038 56.048 -0.464 0.000 1.193 44 H CB 1.761 31.566 29.762 0.071 0.000 1.594 44 H HN 0.683 nan 8.280 nan 0.000 0.526 45 L N 3.786 124.764 121.223 -0.408 0.000 2.312 45 L HA 0.445 4.783 4.340 -0.004 0.000 0.281 45 L C -0.442 176.324 176.870 -0.173 0.000 1.070 45 L CA -0.293 54.383 54.840 -0.274 0.000 0.805 45 L CB 0.793 42.713 42.059 -0.231 0.000 1.174 45 L HN 0.454 nan 8.230 nan 0.000 0.434 46 I N 1.771 122.258 120.570 -0.139 0.000 2.569 46 I HA 0.782 4.950 4.170 -0.004 0.000 0.296 46 I C 0.254 176.299 176.117 -0.121 0.000 1.028 46 I CA -0.405 60.802 61.300 -0.155 0.000 1.082 46 I CB 2.078 40.014 38.000 -0.108 0.000 1.264 46 I HN 0.668 nan 8.210 nan 0.000 0.429 47 G N 4.885 113.613 108.800 -0.120 0.000 2.559 47 G HA2 0.510 4.468 3.960 -0.004 0.000 0.291 47 G HA3 0.510 4.468 3.960 -0.004 0.000 0.291 47 G C -3.269 171.612 174.900 -0.033 0.000 1.424 47 G CA -0.864 44.192 45.100 -0.074 0.000 0.786 47 G HN 0.275 nan 8.290 nan 0.000 0.485 48 P HA 0.307 nan 4.420 nan 0.000 0.276 48 P C -0.292 176.978 177.300 -0.050 0.000 1.230 48 P CA -0.324 62.781 63.100 0.009 0.000 0.776 48 P CB 1.711 33.419 31.700 0.014 0.000 0.888 49 L N 3.408 124.595 121.223 -0.060 0.000 2.367 49 L HA 0.292 4.630 4.340 -0.004 0.000 0.275 49 L C 0.234 177.047 176.870 -0.095 0.000 1.129 49 L CA 0.123 54.883 54.840 -0.134 0.000 0.839 49 L CB -0.165 41.760 42.059 -0.223 0.000 1.133 49 L HN 0.288 nan 8.230 nan 0.000 0.453 50 N N 3.817 122.477 118.700 -0.067 0.000 2.546 50 N HA 0.183 4.921 4.740 -0.004 0.000 0.238 50 N C 0.233 175.773 175.510 0.051 0.000 0.984 50 N CA -0.193 52.855 53.050 -0.003 0.000 0.935 50 N CB 0.799 39.298 38.487 0.021 0.000 1.122 50 N HN 0.648 nan 8.380 nan 0.000 0.510 51 K N 1.716 122.127 120.400 0.019 0.000 2.519 51 K HA -0.028 4.290 4.320 -0.004 0.000 0.196 51 K C 1.139 177.867 176.600 0.213 0.000 1.041 51 K CA 0.940 57.285 56.287 0.096 0.000 0.954 51 K CB 0.216 32.733 32.500 0.027 0.000 0.774 51 K HN 0.566 nan 8.250 nan 0.000 0.480 52 A N 0.529 123.432 122.820 0.139 0.000 2.044 52 A HA -0.044 4.274 4.320 -0.004 0.000 0.213 52 A C 2.004 179.638 177.584 0.084 0.000 1.169 52 A CA 1.367 53.460 52.037 0.093 0.000 0.724 52 A CB 0.027 19.056 19.000 0.048 0.000 0.840 52 A HN 0.358 nan 8.150 nan 0.000 0.463 53 T N -4.484 110.141 114.554 0.118 0.000 2.966 53 T HA 0.001 4.349 4.350 -0.004 0.000 0.254 53 T C 1.700 176.439 174.700 0.066 0.000 0.961 53 T CA 0.690 62.829 62.100 0.065 0.000 0.915 53 T CB -0.820 68.081 68.868 0.055 0.000 1.186 53 T HN 0.550 nan 8.240 nan 0.000 0.505 54 Y N 2.169 122.460 120.300 -0.016 0.000 2.241 54 Y HA -0.085 4.462 4.550 -0.004 0.000 0.286 54 Y C 2.262 178.159 175.900 -0.005 0.000 1.166 54 Y CA 1.428 59.512 58.100 -0.026 0.000 1.203 54 Y CB -0.728 37.705 38.460 -0.045 0.000 0.977 54 Y HN 0.182 nan 8.280 nan 0.000 0.529 55 Q N 0.343 119.684 119.800 -0.765 0.000 2.364 55 Q HA -0.120 4.218 4.340 -0.004 0.000 0.207 55 Q C 0.971 176.821 176.000 -0.250 0.000 0.970 55 Q CA 1.044 56.464 55.803 -0.638 0.000 0.888 55 Q CB -0.188 28.207 28.738 -0.572 0.000 0.951 55 Q HN 0.638 nan 8.270 nan 0.000 0.469 56 N N 0.076 118.696 118.700 -0.134 0.000 2.356 56 N HA -0.017 4.721 4.740 -0.004 0.000 0.178 56 N C 0.860 176.377 175.510 0.012 0.000 1.075 56 N CA 0.584 53.604 53.050 -0.051 0.000 0.889 56 N CB 0.486 38.959 38.487 -0.025 0.000 0.999 56 N HN 0.309 nan 8.380 nan 0.000 0.464 57 E N -0.245 119.988 120.200 0.054 0.000 2.490 57 E HA 0.181 4.529 4.350 -0.004 0.000 0.209 57 E C -0.380 176.351 176.600 0.217 0.000 0.971 57 E CA 0.148 56.661 56.400 0.189 0.000 0.988 57 E CB 1.578 31.461 29.700 0.306 0.000 1.029 57 E HN -0.074 nan 8.360 nan 0.000 0.496 58 V N 2.494 122.463 119.914 0.091 0.000 2.444 58 V HA 0.120 4.238 4.120 -0.004 0.000 0.294 58 V C -0.578 175.536 176.094 0.033 0.000 1.022 58 V CA -0.973 61.379 62.300 0.085 0.000 0.850 58 V CB 1.700 33.574 31.823 0.086 0.000 0.992 58 V HN -0.022 nan 8.190 nan 0.000 0.426 59 D N 4.839 125.259 120.400 0.033 0.000 2.348 59 D HA 0.177 4.815 4.640 -0.004 0.000 0.259 59 D C 0.179 176.494 176.300 0.024 0.000 1.296 59 D CA 0.176 54.184 54.000 0.012 0.000 0.931 59 D CB 0.310 41.110 40.800 0.000 0.000 1.067 59 D HN 0.432 nan 8.370 nan 0.000 0.503 60 I N 4.289 124.883 120.570 0.040 0.000 2.588 60 I HA 0.063 4.231 4.170 -0.004 0.000 0.283 60 I C 0.350 176.525 176.117 0.096 0.000 1.119 60 I CA -0.111 61.240 61.300 0.085 0.000 1.419 60 I CB 0.539 38.602 38.000 0.105 0.000 1.394 60 I HN 0.230 nan 8.210 nan 0.000 0.562 61 L N 5.047 126.366 121.223 0.161 0.000 2.341 61 L HA 0.400 4.738 4.340 -0.004 0.000 0.267 61 L C -0.578 176.464 176.870 0.286 0.000 1.009 61 L CA -0.902 54.058 54.840 0.201 0.000 0.819 61 L CB 1.922 44.123 42.059 0.237 0.000 1.323 61 L HN 0.449 nan 8.230 nan 0.000 0.425 62 D N 1.506 122.016 120.400 0.183 0.000 2.365 62 D HA 0.093 4.731 4.640 -0.004 0.000 0.237 62 D C 0.587 176.965 176.300 0.130 0.000 1.190 62 D CA -0.315 53.738 54.000 0.089 0.000 0.867 62 D CB 0.620 41.409 40.800 -0.020 0.000 1.050 62 D HN 0.415 nan 8.370 nan 0.000 0.491 63 W N 3.614 124.992 121.300 0.129 0.000 3.256 63 W HA 0.182 4.840 4.660 -0.004 0.000 0.269 63 W C 0.389 176.993 176.519 0.142 0.000 1.310 63 W CA -0.350 57.051 57.345 0.094 0.000 1.673 63 W CB -0.243 29.199 29.460 -0.030 0.000 1.115 63 W HN 0.291 nan 8.180 nan 0.000 0.686 64 K N 1.401 121.541 120.400 -0.434 0.000 2.284 64 K HA 0.047 4.365 4.320 -0.004 0.000 0.198 64 K C 0.797 177.318 176.600 -0.131 0.000 1.048 64 K CA 0.314 56.346 56.287 -0.424 0.000 0.987 64 K CB 0.125 32.215 32.500 -0.683 0.000 0.800 64 K HN -0.072 nan 8.250 nan 0.000 0.486 65 K N 1.692 122.050 120.400 -0.070 0.000 2.489 65 K HA -0.011 4.307 4.320 -0.004 0.000 0.278 65 K C -2.134 174.498 176.600 0.053 0.000 1.000 65 K CA -1.035 55.246 56.287 -0.011 0.000 1.012 65 K CB 0.299 32.800 32.500 0.001 0.000 0.903 65 K HN -0.178 nan 8.250 nan 0.000 0.485 66 P HA -0.172 nan 4.420 nan 0.000 0.218 66 P C 0.364 177.723 177.300 0.099 0.000 1.146 66 P CA 1.253 64.396 63.100 0.072 0.000 0.813 66 P CB 0.261 31.991 31.700 0.049 0.000 0.778 67 E N -0.631 119.614 120.200 0.075 0.000 2.274 67 E HA -0.039 4.309 4.350 -0.004 0.000 0.194 67 E C 2.044 178.686 176.600 0.071 0.000 0.996 67 E CA 0.900 57.340 56.400 0.066 0.000 0.840 67 E CB -0.806 28.918 29.700 0.040 0.000 0.772 67 E HN 0.154 nan 8.360 nan 0.000 0.491 68 A N 0.029 122.907 122.820 0.096 0.000 2.070 68 A HA -0.049 4.269 4.320 -0.004 0.000 0.220 68 A C 0.225 177.630 177.584 -0.299 0.000 1.159 68 A CA 0.911 52.931 52.037 -0.028 0.000 0.656 68 A CB -0.154 18.881 19.000 0.058 0.000 0.800 68 A HN 0.178 nan 8.150 nan 0.000 0.453 69 F N -0.798 119.193 119.950 0.067 0.000 2.569 69 F HA 0.395 4.920 4.527 -0.003 0.000 0.312 69 F C 0.752 176.586 175.800 0.056 0.000 1.109 69 F CA -0.516 57.525 58.000 0.068 0.000 0.919 69 F CB 1.646 40.661 39.000 0.024 0.000 1.211 69 F HN 0.050 nan 8.300 nan 0.000 0.446 70 S N 0.598 116.434 115.700 0.227 0.000 2.569 70 S HA -0.010 4.458 4.470 -0.004 0.000 0.274 70 S C 0.674 175.373 174.600 0.165 0.000 1.353 70 S CA -0.378 57.923 58.200 0.168 0.000 1.023 70 S CB 0.702 63.999 63.200 0.163 0.000 0.876 70 S HN 0.649 nan 8.310 nan 0.000 0.540 71 D N 1.077 121.552 120.400 0.125 0.000 2.144 71 D HA -0.121 4.517 4.640 -0.004 0.000 0.200 71 D C 2.054 178.421 176.300 0.111 0.000 0.978 71 D CA 1.743 55.806 54.000 0.105 0.000 0.833 71 D CB -0.397 40.454 40.800 0.085 0.000 0.961 71 D HN 0.968 nan 8.370 nan 0.000 0.470 72 E N -0.174 120.107 120.200 0.134 0.000 2.268 72 E HA -0.135 4.212 4.350 -0.004 0.000 0.195 72 E C 1.399 178.114 176.600 0.192 0.000 0.995 72 E CA 0.742 57.245 56.400 0.172 0.000 0.836 72 E CB -0.035 29.802 29.700 0.228 0.000 0.763 72 E HN 0.103 nan 8.360 nan 0.000 0.491 73 M N 0.361 120.040 119.600 0.132 0.000 2.428 73 M HA 0.191 4.669 4.480 -0.004 0.000 0.239 73 M C 1.341 177.677 176.300 0.059 0.000 1.121 73 M CA 0.057 55.422 55.300 0.109 0.000 1.019 73 M CB 0.096 32.814 32.600 0.196 0.000 1.485 73 M HN 0.042 nan 8.290 nan 0.000 0.484 74 R N 1.145 121.651 120.500 0.009 0.000 2.159 74 R HA -0.178 4.160 4.340 -0.004 0.000 0.249 74 R C -0.691 175.415 176.300 -0.322 0.000 1.136 74 R CA 1.860 57.848 56.100 -0.186 0.000 0.951 74 R CB -2.371 27.901 30.300 -0.047 0.000 0.876 74 R HN 0.225 nan 8.270 nan 0.000 0.440 75 P HA -0.151 nan 4.420 nan 0.000 0.217 75 P C 1.602 178.804 177.300 -0.163 0.000 1.158 75 P CA 1.284 64.363 63.100 -0.034 0.000 0.887 75 P CB -0.151 31.562 31.700 0.021 0.000 0.792 76 V N -0.425 119.372 119.914 -0.195 0.000 2.392 76 V HA -0.292 3.826 4.120 -0.004 0.000 0.249 76 V C 2.682 178.493 176.094 -0.471 0.000 1.059 76 V CA 2.012 64.170 62.300 -0.238 0.000 1.051 76 V CB -1.229 30.576 31.823 -0.030 0.000 0.658 76 V HN 0.226 nan 8.190 nan 0.000 0.455 77 Q N -0.503 118.770 119.800 -0.879 0.000 2.046 77 Q HA -0.219 4.119 4.340 -0.004 0.000 0.200 77 Q C 2.237 178.018 176.000 -0.365 0.000 0.975 77 Q CA 2.013 57.231 55.803 -0.976 0.000 0.836 77 Q CB -0.139 27.850 28.738 -1.249 0.000 0.896 77 Q HN 0.806 nan 8.270 nan 0.000 0.428 78 H N -0.508 118.450 119.070 -0.186 0.000 2.421 78 H HA -0.072 4.481 4.556 -0.003 0.000 0.298 78 H C 2.007 177.304 175.328 -0.052 0.000 1.087 78 H CA 0.851 56.863 56.048 -0.060 0.000 1.330 78 H CB 0.013 29.741 29.762 -0.057 0.000 1.388 78 H HN 0.418 nan 8.280 nan 0.000 0.526 79 A N 1.105 123.905 122.820 -0.034 0.000 1.865 79 A HA -0.180 4.138 4.320 -0.004 0.000 0.217 79 A C 2.306 179.843 177.584 -0.078 0.000 1.191 79 A CA 1.528 53.492 52.037 -0.121 0.000 0.623 79 A CB -0.845 17.941 19.000 -0.357 0.000 0.826 79 A HN 0.313 nan 8.150 nan 0.000 0.444 80 L N -0.806 120.350 121.223 -0.113 0.000 2.046 80 L HA -0.262 4.075 4.340 -0.004 0.000 0.208 80 L C 2.940 179.827 176.870 0.028 0.000 1.077 80 L CA 1.577 56.259 54.840 -0.263 0.000 0.747 80 L CB -0.690 40.989 42.059 -0.634 0.000 0.896 80 L HN 0.489 nan 8.230 nan 0.000 0.432 81 Q N -0.431 119.527 119.800 0.263 0.000 2.029 81 Q HA -0.254 4.084 4.340 -0.004 0.000 0.209 81 Q C 2.217 178.377 176.000 0.267 0.000 0.999 81 Q CA 2.434 58.489 55.803 0.419 0.000 0.857 81 Q CB -0.588 28.355 28.738 0.343 0.000 0.926 81 Q HN 0.489 nan 8.270 nan 0.000 0.415 82 T N 1.288 115.945 114.554 0.171 0.000 2.665 82 T HA -0.181 4.167 4.350 -0.004 0.000 0.268 82 T C 1.844 176.610 174.700 0.109 0.000 1.035 82 T CA 1.388 63.570 62.100 0.136 0.000 1.151 82 T CB -0.140 68.795 68.868 0.111 0.000 0.862 82 T HN 0.220 nan 8.240 nan 0.000 0.438 83 M N 0.770 120.386 119.600 0.027 0.000 2.149 83 M HA -0.107 4.371 4.480 -0.004 0.000 0.261 83 M C 2.368 178.710 176.300 0.070 0.000 1.064 83 M CA 1.489 56.726 55.300 -0.105 0.000 1.102 83 M CB -0.868 31.613 32.600 -0.199 0.000 1.369 83 M HN 0.382 nan 8.290 nan 0.000 0.408 84 E N 0.282 120.636 120.200 0.257 0.000 2.107 84 E HA -0.107 4.241 4.350 -0.004 0.000 0.191 84 E C 1.880 178.620 176.600 0.233 0.000 0.982 84 E CA 1.505 58.101 56.400 0.326 0.000 0.809 84 E CB 0.197 30.170 29.700 0.454 0.000 0.756 84 E HN 0.339 nan 8.360 nan 0.000 0.459 85 S N 0.928 116.751 115.700 0.205 0.000 2.369 85 S HA -0.184 4.284 4.470 -0.004 0.000 0.225 85 S C 1.728 176.431 174.600 0.172 0.000 1.043 85 S CA 1.514 59.819 58.200 0.175 0.000 1.074 85 S CB -0.346 62.952 63.200 0.163 0.000 0.962 85 S HN 0.335 nan 8.310 nan 0.000 0.433 86 R N 0.921 121.534 120.500 0.189 0.000 2.339 86 R HA 0.128 4.466 4.340 -0.004 0.000 0.199 86 R C 1.352 177.770 176.300 0.195 0.000 1.018 86 R CA 0.732 56.980 56.100 0.247 0.000 1.036 86 R CB -0.701 29.858 30.300 0.431 0.000 0.899 86 R HN 0.587 nan 8.270 nan 0.000 0.473 87 G N 0.540 109.403 108.800 0.106 0.000 2.131 87 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.201 87 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.201 87 G C -0.055 174.698 174.900 -0.245 0.000 1.000 87 G CA -0.119 44.978 45.100 -0.006 0.000 0.680 87 G HN 0.130 nan 8.290 nan 0.000 0.514 88 V N 2.521 122.351 119.914 -0.140 0.000 2.432 88 V HA 0.572 4.690 4.120 -0.004 0.000 0.275 88 V C 0.305 176.464 176.094 0.108 0.000 1.043 88 V CA -0.869 61.355 62.300 -0.127 0.000 0.925 88 V CB 1.217 32.920 31.823 -0.200 0.000 0.985 88 V HN 0.345 nan 8.190 nan 0.000 0.466 89 H N 5.096 124.267 119.070 0.168 0.000 2.499 89 H HA 0.780 5.334 4.556 -0.004 0.000 0.340 89 H C -0.416 174.985 175.328 0.122 0.000 1.148 89 H CA -0.931 55.135 56.048 0.029 0.000 1.215 89 H CB 1.672 31.413 29.762 -0.034 0.000 1.529 89 H HN 0.638 nan 8.280 nan 0.000 0.510 90 F N -1.662 118.294 119.950 0.010 0.000 2.741 90 F HA 0.524 5.049 4.527 -0.004 0.000 0.311 90 F C -1.771 173.912 175.800 -0.194 0.000 1.149 90 F CA -1.188 56.688 58.000 -0.208 0.000 0.930 90 F CB 0.532 39.229 39.000 -0.504 0.000 1.312 90 F HN 0.145 nan 8.300 nan 0.000 0.450 91 V N 2.240 122.138 119.914 -0.027 0.000 2.370 91 V HA 0.335 4.453 4.120 -0.004 0.000 0.283 91 V C -1.171 174.986 176.094 0.103 0.000 1.023 91 V CA -0.648 61.661 62.300 0.016 0.000 0.857 91 V CB 1.196 33.005 31.823 -0.023 0.000 0.985 91 V HN 0.759 nan 8.190 nan 0.000 0.443 92 Y N 3.492 123.835 120.300 0.071 0.000 2.334 92 Y HA 0.812 5.360 4.550 -0.003 0.000 0.328 92 Y C 0.462 176.424 175.900 0.104 0.000 1.130 92 Y CA 0.264 58.407 58.100 0.071 0.000 1.163 92 Y CB 1.689 40.257 38.460 0.180 0.000 1.207 92 Y HN 0.807 nan 8.280 nan 0.000 0.471 93 G N 4.552 113.108 108.800 -0.407 0.000 2.349 93 G HA2 0.307 4.265 3.960 -0.004 0.000 0.294 93 G HA3 0.307 4.265 3.960 -0.004 0.000 0.294 93 G C -1.916 172.815 174.900 -0.280 0.000 1.380 93 G CA -1.309 43.653 45.100 -0.230 0.000 0.811 93 G HN 0.607 nan 8.290 nan 0.000 0.519 94 R N -0.639 119.784 120.500 -0.128 0.000 2.349 94 R HA 0.349 4.687 4.340 -0.004 0.000 0.299 94 R C -0.903 175.427 176.300 0.051 0.000 1.027 94 R CA -0.676 55.380 56.100 -0.072 0.000 0.958 94 R CB 1.294 31.561 30.300 -0.056 0.000 1.047 94 R HN 0.524 nan 8.270 nan 0.000 0.468 95 W N 6.149 127.360 121.300 -0.148 0.000 2.345 95 W HA 0.158 4.816 4.660 -0.003 0.000 0.308 95 W C -0.594 175.862 176.519 -0.104 0.000 1.273 95 W CA -1.020 56.253 57.345 -0.121 0.000 1.243 95 W CB 0.384 29.756 29.460 -0.146 0.000 1.260 95 W HN 0.522 nan 8.180 nan 0.000 0.509 96 L N 9.320 130.595 121.223 0.086 0.000 2.544 96 L HA 0.100 4.438 4.340 -0.004 0.000 0.240 96 L C 0.064 176.769 176.870 -0.274 0.000 1.421 96 L CA 0.194 54.983 54.840 -0.084 0.000 1.206 96 L CB -1.333 40.718 42.059 -0.013 0.000 1.463 96 L HN 0.253 nan 8.230 nan 0.000 0.437 97 I N -2.246 118.053 120.570 -0.453 0.000 3.133 97 I HA 0.321 4.489 4.170 -0.004 0.000 0.311 97 I C 0.441 176.366 176.117 -0.321 0.000 1.072 97 I CA -1.046 59.961 61.300 -0.489 0.000 1.015 97 I CB 1.224 38.742 38.000 -0.803 0.000 1.233 97 I HN 0.069 nan 8.210 nan 0.000 0.473 98 E N 1.106 121.140 120.200 -0.276 0.000 2.417 98 E HA 0.280 4.628 4.350 -0.004 0.000 0.261 98 E C 0.738 177.208 176.600 -0.217 0.000 1.000 98 E CA 1.083 57.361 56.400 -0.202 0.000 0.919 98 E CB 0.223 29.823 29.700 -0.167 0.000 0.955 98 E HN 0.847 nan 8.360 nan 0.000 0.455 99 G N 3.602 112.303 108.800 -0.166 0.000 2.493 99 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.206 99 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.206 99 G C 0.559 175.387 174.900 -0.119 0.000 1.109 99 G CA 0.011 45.023 45.100 -0.146 0.000 0.689 99 G HN 1.597 nan 8.290 nan 0.000 0.516 100 A N 0.464 123.195 122.820 -0.148 0.000 2.560 100 A HA 0.084 4.402 4.320 -0.004 0.000 0.299 100 A C -0.785 176.759 177.584 -0.067 0.000 1.484 100 A CA 1.574 53.547 52.037 -0.107 0.000 0.749 100 A CB -1.609 17.338 19.000 -0.089 0.000 1.072 100 A HN 1.320 nan 8.150 nan 0.000 0.426 101 P HA 0.267 nan 4.420 nan 0.000 0.275 101 P C -0.082 177.164 177.300 -0.091 0.000 1.228 101 P CA 0.021 63.116 63.100 -0.007 0.000 0.786 101 P CB 0.714 32.482 31.700 0.114 0.000 0.927 102 K N 0.977 121.242 120.400 -0.225 0.000 2.237 102 K HA 0.431 4.749 4.320 -0.004 0.000 0.270 102 K C -0.423 176.000 176.600 -0.294 0.000 1.015 102 K CA -0.531 55.560 56.287 -0.328 0.000 0.949 102 K CB 0.760 33.010 32.500 -0.418 0.000 0.976 102 K HN 0.218 nan 8.250 nan 0.000 0.472 103 V N 4.468 124.187 119.914 -0.324 0.000 2.760 103 V HA 0.396 4.513 4.120 -0.004 0.000 0.309 103 V C -0.902 175.021 176.094 -0.285 0.000 1.077 103 V CA -0.793 61.355 62.300 -0.253 0.000 0.910 103 V CB 1.877 33.567 31.823 -0.221 0.000 1.008 103 V HN 0.581 nan 8.190 nan 0.000 0.424 104 I N 6.043 126.448 120.570 -0.275 0.000 2.382 104 I HA 0.451 4.619 4.170 -0.004 0.000 0.285 104 I C -0.751 175.051 176.117 -0.524 0.000 1.007 104 I CA -0.272 60.772 61.300 -0.427 0.000 1.142 104 I CB 1.375 38.978 38.000 -0.662 0.000 1.289 104 I HN 0.292 nan 8.210 nan 0.000 0.453 105 L N 6.873 127.833 121.223 -0.438 0.000 2.301 105 L HA 0.455 4.793 4.340 -0.004 0.000 0.278 105 L C -0.679 176.001 176.870 -0.316 0.000 1.022 105 L CA -0.532 54.109 54.840 -0.331 0.000 0.854 105 L CB 0.482 42.405 42.059 -0.227 0.000 1.226 105 L HN 0.390 nan 8.230 nan 0.000 0.429 106 F N 1.294 121.166 119.950 -0.129 0.000 2.495 106 F HA 0.043 4.567 4.527 -0.004 0.000 0.365 106 F C 1.037 176.812 175.800 -0.043 0.000 1.090 106 F CA -0.208 57.748 58.000 -0.075 0.000 1.235 106 F CB 0.382 39.303 39.000 -0.132 0.000 1.119 106 F HN 0.398 nan 8.300 nan 0.000 0.562 107 D N 4.502 125.017 120.400 0.191 0.000 2.402 107 D HA 0.092 4.730 4.640 -0.004 0.000 0.235 107 D C 1.118 177.486 176.300 0.113 0.000 1.226 107 D CA 0.181 54.237 54.000 0.093 0.000 0.918 107 D CB 0.311 41.164 40.800 0.090 0.000 1.043 107 D HN 0.528 nan 8.370 nan 0.000 0.506 108 L N 2.343 123.625 121.223 0.098 0.000 2.349 108 L HA -0.159 4.179 4.340 -0.004 0.000 0.220 108 L C 1.214 178.143 176.870 0.098 0.000 1.130 108 L CA 0.798 55.704 54.840 0.109 0.000 0.791 108 L CB -0.062 42.058 42.059 0.103 0.000 0.918 108 L HN 0.359 nan 8.230 nan 0.000 0.444 109 D N -0.666 119.779 120.400 0.076 0.000 2.194 109 D HA -0.100 4.538 4.640 -0.004 0.000 0.204 109 D C 2.151 178.488 176.300 0.061 0.000 0.964 109 D CA 1.406 55.446 54.000 0.066 0.000 0.846 109 D CB 0.058 40.892 40.800 0.057 0.000 0.962 109 D HN 0.301 nan 8.370 nan 0.000 0.490 110 S N -0.512 115.219 115.700 0.053 0.000 2.720 110 S HA 0.082 4.550 4.470 -0.004 0.000 0.222 110 S C 1.185 175.775 174.600 -0.016 0.000 0.958 110 S CA -0.090 58.097 58.200 -0.021 0.000 0.943 110 S CB 0.412 63.518 63.200 -0.157 0.000 0.779 110 S HN 0.027 nan 8.310 nan 0.000 0.526 111 V N 0.187 120.130 119.914 0.049 0.000 3.509 111 V HA 0.317 4.435 4.120 -0.004 0.000 0.286 111 V C 1.747 177.881 176.094 0.065 0.000 1.618 111 V CA -0.058 62.279 62.300 0.062 0.000 1.088 111 V CB 0.188 32.081 31.823 0.116 0.000 0.909 111 V HN 0.472 nan 8.190 nan 0.000 0.429 112 R N 0.915 121.459 120.500 0.074 0.000 2.293 112 R HA -0.082 4.256 4.340 -0.004 0.000 0.219 112 R C 1.914 178.217 176.300 0.004 0.000 1.091 112 R CA 1.783 57.919 56.100 0.060 0.000 1.004 112 R CB -0.221 30.118 30.300 0.065 0.000 0.865 112 R HN 0.534 nan 8.270 nan 0.000 0.469 113 G N -0.262 108.539 108.800 0.003 0.000 2.404 113 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.214 113 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.214 113 G C 0.617 175.387 174.900 -0.216 0.000 1.189 113 G CA 0.306 45.359 45.100 -0.078 0.000 0.789 113 G HN 0.372 nan 8.290 nan 0.000 0.533 114 Y N 1.792 121.774 120.300 -0.530 0.000 2.738 114 Y HA -0.062 4.486 4.550 -0.003 0.000 0.293 114 Y C 2.894 178.263 175.900 -0.884 0.000 1.156 114 Y CA 0.506 58.032 58.100 -0.956 0.000 1.410 114 Y CB -0.552 36.814 38.460 -1.824 0.000 0.966 114 Y HN 0.284 nan 8.280 nan 0.000 0.568 115 S N 0.593 116.117 115.700 -0.294 0.000 2.359 115 S HA -0.248 4.220 4.470 -0.004 0.000 0.223 115 S C 2.106 176.668 174.600 -0.063 0.000 1.039 115 S CA 1.986 60.138 58.200 -0.082 0.000 1.042 115 S CB -0.179 63.022 63.200 0.002 0.000 0.915 115 S HN 0.517 nan 8.310 nan 0.000 0.439 116 N N 1.208 119.844 118.700 -0.107 0.000 2.216 116 N HA -0.041 4.697 4.740 -0.004 0.000 0.183 116 N C 1.799 177.264 175.510 -0.075 0.000 1.017 116 N CA 1.260 54.267 53.050 -0.072 0.000 0.861 116 N CB -0.661 37.778 38.487 -0.080 0.000 0.986 116 N HN 0.713 nan 8.380 nan 0.000 0.428 117 E N -0.360 119.747 120.200 -0.155 0.000 2.085 117 E HA -0.187 4.161 4.350 -0.004 0.000 0.194 117 E C 1.263 177.862 176.600 -0.001 0.000 0.994 117 E CA 1.043 57.370 56.400 -0.121 0.000 0.801 117 E CB -0.051 29.509 29.700 -0.234 0.000 0.743 117 E HN 0.331 nan 8.360 nan 0.000 0.453 118 W N 1.011 122.174 121.300 -0.230 0.000 2.407 118 W HA 0.003 4.661 4.660 -0.003 0.000 0.305 118 W C 2.259 178.618 176.519 -0.267 0.000 1.196 118 W CA 0.597 57.632 57.345 -0.517 0.000 1.311 118 W CB -0.786 28.180 29.460 -0.823 0.000 1.135 118 W HN 0.092 nan 8.180 nan 0.000 0.514 119 K N -0.342 120.132 120.400 0.124 0.000 2.113 119 K HA -0.164 4.154 4.320 -0.004 0.000 0.208 119 K C 2.267 178.960 176.600 0.156 0.000 1.047 119 K CA 1.674 58.044 56.287 0.138 0.000 0.928 119 K CB -0.797 31.755 32.500 0.086 0.000 0.716 119 K HN 0.171 nan 8.250 nan 0.000 0.446 120 G N 1.112 109.983 108.800 0.118 0.000 2.434 120 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.214 120 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.214 120 G C 1.140 176.168 174.900 0.214 0.000 1.202 120 G CA 1.101 46.292 45.100 0.152 0.000 0.788 120 G HN 0.319 nan 8.290 nan 0.000 0.539 121 D N -0.137 120.365 120.400 0.170 0.000 2.172 121 D HA -0.129 4.509 4.640 -0.004 0.000 0.196 121 D C 2.323 178.762 176.300 0.230 0.000 0.999 121 D CA 0.670 54.782 54.000 0.186 0.000 0.856 121 D CB -0.240 40.679 40.800 0.199 0.000 0.934 121 D HN 0.210 nan 8.370 nan 0.000 0.453 122 L N 0.071 121.472 121.223 0.297 0.000 1.994 122 L HA -0.148 4.190 4.340 -0.004 0.000 0.208 122 L C 2.289 179.287 176.870 0.213 0.000 1.071 122 L CA 1.583 56.591 54.840 0.281 0.000 0.745 122 L CB -0.753 41.502 42.059 0.328 0.000 0.892 122 L HN 0.496 nan 8.230 nan 0.000 0.431 123 W N 1.114 122.460 121.300 0.076 0.000 2.321 123 W HA -0.251 4.407 4.660 -0.004 0.000 0.306 123 W C 1.827 178.367 176.519 0.034 0.000 1.217 123 W CA 1.762 59.137 57.345 0.049 0.000 1.257 123 W CB -0.226 29.260 29.460 0.044 0.000 1.145 123 W HN 0.374 nan 8.180 nan 0.000 0.509 124 S N 0.014 115.722 115.700 0.013 0.000 2.602 124 S HA 0.257 4.725 4.470 -0.004 0.000 0.246 124 S C 0.864 175.408 174.600 -0.092 0.000 1.009 124 S CA -0.245 57.881 58.200 -0.123 0.000 1.052 124 S CB -0.287 62.942 63.200 0.048 0.000 0.778 124 S HN 0.358 nan 8.310 nan 0.000 0.455 125 L N -0.740 120.424 121.223 -0.099 0.000 3.316 125 L HA 0.294 4.632 4.340 -0.004 0.000 0.300 125 L C 0.498 177.291 176.870 -0.129 0.000 1.128 125 L CA 0.109 54.894 54.840 -0.091 0.000 1.111 125 L CB 0.951 42.983 42.059 -0.044 0.000 1.687 125 L HN 0.303 nan 8.230 nan 0.000 0.594 126 V N -1.724 118.105 119.914 -0.142 0.000 3.432 126 V HA 0.351 4.469 4.120 -0.004 0.000 0.290 126 V C 1.168 177.148 176.094 -0.191 0.000 1.591 126 V CA 0.341 62.551 62.300 -0.149 0.000 1.069 126 V CB 0.757 32.512 31.823 -0.113 0.000 0.892 126 V HN 0.362 nan 8.190 nan 0.000 0.436 127 G N 2.099 110.710 108.800 -0.315 0.000 2.249 127 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.273 127 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.273 127 G C -0.024 174.830 174.900 -0.076 0.000 1.036 127 G CA 0.556 45.321 45.100 -0.559 0.000 0.824 127 G HN 0.593 nan 8.290 nan 0.000 0.504 128 I N 1.216 121.871 120.570 0.141 0.000 2.291 128 I HA 0.241 4.409 4.170 -0.004 0.000 0.292 128 I C -1.678 174.703 176.117 0.440 0.000 1.064 128 I CA -2.263 59.179 61.300 0.236 0.000 1.269 128 I CB 1.003 39.072 38.000 0.115 0.000 1.418 128 I HN -0.093 nan 8.210 nan 0.000 0.485 129 P HA 0.073 nan 4.420 nan 0.000 0.270 129 P C -0.727 176.666 177.300 0.154 0.000 1.227 129 P CA -0.221 63.046 63.100 0.278 0.000 0.788 129 P CB 0.568 32.426 31.700 0.264 0.000 0.926 130 S N -0.662 115.038 115.700 0.001 0.000 2.479 130 S HA 0.380 4.848 4.470 -0.004 0.000 0.169 130 S C -2.893 171.635 174.600 -0.121 0.000 1.181 130 S CA -1.256 56.938 58.200 -0.012 0.000 1.169 130 S CB -0.236 63.012 63.200 0.079 0.000 1.384 130 S HN 0.166 nan 8.310 nan 0.000 0.412 131 P HA 0.132 nan 4.420 nan 0.000 0.268 131 P C 0.730 177.933 177.300 -0.163 0.000 1.208 131 P CA -0.277 62.681 63.100 -0.237 0.000 0.777 131 P CB 0.486 31.979 31.700 -0.346 0.000 0.875 132 E N 0.666 120.782 120.200 -0.140 0.000 2.478 132 E HA -0.082 4.266 4.350 -0.004 0.000 0.194 132 E C 0.504 176.980 176.600 -0.208 0.000 1.045 132 E CA 0.454 56.787 56.400 -0.112 0.000 0.868 132 E CB -0.596 29.067 29.700 -0.062 0.000 0.885 132 E HN 0.563 nan 8.360 nan 0.000 0.505 133 N N 0.699 119.232 118.700 -0.278 0.000 2.336 133 N HA -0.052 4.685 4.740 -0.004 0.000 0.189 133 N C -0.031 175.046 175.510 -0.722 0.000 1.113 133 N CA -0.143 52.621 53.050 -0.477 0.000 0.858 133 N CB 0.377 38.721 38.487 -0.238 0.000 0.970 133 N HN -0.113 nan 8.380 nan 0.000 0.471 134 D N 0.147 120.275 120.400 -0.454 0.000 2.467 134 D HA 0.107 4.745 4.640 -0.004 0.000 0.220 134 D C -0.130 176.053 176.300 -0.196 0.000 1.103 134 D CA -0.753 53.099 54.000 -0.248 0.000 0.886 134 D CB 0.281 41.118 40.800 0.063 0.000 1.025 134 D HN 0.074 nan 8.370 nan 0.000 0.514 135 F N 1.756 121.788 119.950 0.137 0.000 2.259 135 F HA 0.008 4.533 4.527 -0.004 0.000 0.298 135 F C 2.121 178.004 175.800 0.139 0.000 1.088 135 F CA 0.385 58.457 58.000 0.120 0.000 1.358 135 F CB -0.241 38.815 39.000 0.093 0.000 1.040 135 F HN 0.309 nan 8.300 nan 0.000 0.505 136 E N 0.102 120.490 120.200 0.314 0.000 2.077 136 E HA -0.168 4.180 4.350 -0.004 0.000 0.193 136 E C 2.393 179.147 176.600 0.257 0.000 0.989 136 E CA 2.130 58.683 56.400 0.254 0.000 0.800 136 E CB -0.709 29.155 29.700 0.275 0.000 0.746 136 E HN 0.448 nan 8.360 nan 0.000 0.452 137 T N -1.084 113.664 114.554 0.323 0.000 2.904 137 T HA -0.053 4.294 4.350 -0.004 0.000 0.267 137 T C 1.662 176.515 174.700 0.256 0.000 1.059 137 T CA 0.851 63.159 62.100 0.347 0.000 1.137 137 T CB -0.186 68.911 68.868 0.381 0.000 0.879 137 T HN -0.049 nan 8.240 nan 0.000 0.467 138 N N 2.194 121.026 118.700 0.219 0.000 2.043 138 N HA -0.120 4.617 4.740 -0.004 0.000 0.193 138 N C 1.565 177.203 175.510 0.213 0.000 1.037 138 N CA 1.785 54.959 53.050 0.206 0.000 0.851 138 N CB -0.579 38.029 38.487 0.201 0.000 1.027 138 N HN 0.476 nan 8.380 nan 0.000 0.422 139 D N 0.726 121.247 120.400 0.201 0.000 2.144 139 D HA -0.064 4.573 4.640 -0.004 0.000 0.199 139 D C 1.741 178.129 176.300 0.147 0.000 0.984 139 D CA 0.950 55.049 54.000 0.165 0.000 0.834 139 D CB -0.258 40.624 40.800 0.135 0.000 0.955 139 D HN 0.267 nan 8.370 nan 0.000 0.465 140 A N 0.345 123.255 122.820 0.151 0.000 1.968 140 A HA -0.056 4.261 4.320 -0.004 0.000 0.217 140 A C 2.326 180.000 177.584 0.150 0.000 1.169 140 A CA 0.575 52.685 52.037 0.122 0.000 0.638 140 A CB -0.430 18.656 19.000 0.143 0.000 0.812 140 A HN 0.168 nan 8.150 nan 0.000 0.446 141 I N -0.456 120.239 120.570 0.208 0.000 2.233 141 I HA -0.195 3.973 4.170 -0.004 0.000 0.243 141 I C 2.340 178.633 176.117 0.294 0.000 1.093 141 I CA 0.819 62.276 61.300 0.262 0.000 1.380 141 I CB -0.347 37.838 38.000 0.308 0.000 1.067 141 I HN 0.276 nan 8.210 nan 0.000 0.413 142 L N 0.143 121.547 121.223 0.302 0.000 1.990 142 L HA -0.272 4.065 4.340 -0.004 0.000 0.213 142 L C 2.657 179.643 176.870 0.194 0.000 1.072 142 L CA 1.275 56.328 54.840 0.356 0.000 0.755 142 L CB -0.672 41.568 42.059 0.302 0.000 0.889 142 L HN 0.299 nan 8.230 nan 0.000 0.432 143 L N 0.284 121.580 121.223 0.122 0.000 2.012 143 L HA -0.103 4.235 4.340 -0.004 0.000 0.210 143 L C 2.379 179.239 176.870 -0.016 0.000 1.073 143 L CA 2.251 57.119 54.840 0.048 0.000 0.748 143 L CB -1.225 40.872 42.059 0.063 0.000 0.891 143 L HN 0.162 nan 8.230 nan 0.000 0.431 144 G N -1.594 107.200 108.800 -0.010 0.000 2.459 144 G HA2 -0.357 3.601 3.960 -0.004 0.000 0.217 144 G HA3 -0.357 3.601 3.960 -0.004 0.000 0.217 144 G C 1.496 176.229 174.900 -0.279 0.000 1.183 144 G CA 1.199 46.225 45.100 -0.123 0.000 0.776 144 G HN 0.491 nan 8.290 nan 0.000 0.552 145 Y N 1.246 121.299 120.300 -0.412 0.000 2.274 145 Y HA -0.097 4.451 4.550 -0.003 0.000 0.290 145 Y C 3.360 178.947 175.900 -0.521 0.000 1.145 145 Y CA 1.736 59.383 58.100 -0.755 0.000 1.203 145 Y CB -0.255 37.123 38.460 -1.803 0.000 0.984 145 Y HN 0.171 nan 8.280 nan 0.000 0.533 146 T N -1.128 113.278 114.554 -0.246 0.000 2.812 146 T HA -0.126 4.222 4.350 -0.004 0.000 0.264 146 T C 2.081 176.550 174.700 -0.385 0.000 1.042 146 T CA 1.451 63.398 62.100 -0.254 0.000 1.140 146 T CB -0.624 67.983 68.868 -0.435 0.000 0.870 146 T HN 0.073 nan 8.240 nan 0.000 0.445 147 V N 1.827 121.558 119.914 -0.306 0.000 2.379 147 V HA -0.093 4.025 4.120 -0.004 0.000 0.245 147 V C 2.942 179.039 176.094 0.004 0.000 1.044 147 V CA 1.510 63.722 62.300 -0.147 0.000 1.036 147 V CB -1.258 30.579 31.823 0.024 0.000 0.664 147 V HN 0.504 nan 8.190 nan 0.000 0.453 148 A N -0.243 122.547 122.820 -0.051 0.000 1.917 148 A HA -0.297 4.021 4.320 -0.004 0.000 0.219 148 A C 2.029 179.627 177.584 0.024 0.000 1.182 148 A CA 2.141 54.142 52.037 -0.059 0.000 0.633 148 A CB -0.879 17.983 19.000 -0.229 0.000 0.819 148 A HN 0.726 nan 8.150 nan 0.000 0.448 149 W N 0.035 121.216 121.300 -0.198 0.000 2.355 149 W HA -0.198 4.460 4.660 -0.004 0.000 0.309 149 W C 1.891 178.339 176.519 -0.118 0.000 1.206 149 W CA 1.400 58.653 57.345 -0.154 0.000 1.284 149 W CB -1.130 28.227 29.460 -0.172 0.000 1.145 149 W HN 0.421 nan 8.180 nan 0.000 0.502 150 F N 0.577 120.447 119.950 -0.132 0.000 2.293 150 F HA -0.106 4.419 4.527 -0.004 0.000 0.300 150 F C 2.028 177.720 175.800 -0.181 0.000 1.086 150 F CA 1.817 59.667 58.000 -0.251 0.000 1.375 150 F CB -0.453 38.359 39.000 -0.314 0.000 1.045 150 F HN -0.204 nan 8.300 nan 0.000 0.516 151 L N -0.315 120.807 121.223 -0.169 0.000 2.162 151 L HA 0.054 4.391 4.340 -0.004 0.000 0.205 151 L C 2.828 179.606 176.870 -0.153 0.000 1.086 151 L CA 0.899 55.596 54.840 -0.238 0.000 0.778 151 L CB -1.452 40.588 42.059 -0.032 0.000 0.928 151 L HN 0.278 nan 8.230 nan 0.000 0.446 152 G N -0.088 108.679 108.800 -0.056 0.000 2.476 152 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.218 152 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.218 152 G C 1.470 176.362 174.900 -0.013 0.000 1.164 152 G CA 0.629 45.723 45.100 -0.010 0.000 0.768 152 G HN 0.253 nan 8.290 nan 0.000 0.560 153 E N 0.180 120.348 120.200 -0.054 0.000 2.077 153 E HA -0.074 4.274 4.350 -0.004 0.000 0.193 153 E C 2.919 179.453 176.600 -0.109 0.000 0.989 153 E CA 0.839 57.211 56.400 -0.047 0.000 0.800 153 E CB -0.513 29.122 29.700 -0.109 0.000 0.746 153 E HN 0.336 nan 8.360 nan 0.000 0.452 154 V N 1.493 121.214 119.914 -0.322 0.000 2.358 154 V HA -0.203 3.915 4.120 -0.004 0.000 0.246 154 V C 2.448 178.497 176.094 -0.074 0.000 1.047 154 V CA 1.678 63.813 62.300 -0.275 0.000 1.035 154 V CB -0.843 30.708 31.823 -0.454 0.000 0.658 154 V HN 0.229 nan 8.190 nan 0.000 0.452 155 A N -0.921 121.880 122.820 -0.033 0.000 1.972 155 A HA -0.282 4.036 4.320 -0.004 0.000 0.219 155 A C 2.225 179.853 177.584 0.073 0.000 1.169 155 A CA 2.000 54.065 52.037 0.046 0.000 0.635 155 A CB -0.861 18.173 19.000 0.058 0.000 0.810 155 A HN 0.749 nan 8.150 nan 0.000 0.446 156 H N -0.234 118.820 119.070 -0.028 0.000 2.299 156 H HA -0.015 4.539 4.556 -0.004 0.000 0.302 156 H C 1.873 177.194 175.328 -0.011 0.000 1.078 156 H CA 1.793 57.831 56.048 -0.016 0.000 1.323 156 H CB -0.091 29.661 29.762 -0.017 0.000 1.381 156 H HN 0.422 nan 8.280 nan 0.000 0.498 157 L N 0.366 121.481 121.223 -0.178 0.000 2.131 157 L HA -0.039 4.298 4.340 -0.004 0.000 0.206 157 L C 1.029 177.835 176.870 -0.106 0.000 1.087 157 L CA 0.421 55.131 54.840 -0.216 0.000 0.767 157 L CB -0.116 41.897 42.059 -0.078 0.000 0.917 157 L HN 0.254 nan 8.230 nan 0.000 0.441 158 D N -0.114 120.264 120.400 -0.036 0.000 2.264 158 D HA 0.093 4.731 4.640 -0.004 0.000 0.250 158 D C 0.337 176.640 176.300 0.005 0.000 1.113 158 D CA 0.163 54.177 54.000 0.023 0.000 0.871 158 D CB 1.585 42.452 40.800 0.112 0.000 1.167 158 D HN 0.050 nan 8.370 nan 0.000 0.447 159 S N 2.103 117.789 115.700 -0.023 0.000 2.780 159 S HA 0.011 4.478 4.470 -0.004 0.000 0.248 159 S C 1.141 175.700 174.600 -0.069 0.000 1.036 159 S CA -0.471 57.705 58.200 -0.039 0.000 1.061 159 S CB 0.691 63.859 63.200 -0.053 0.000 1.037 159 S HN 0.576 nan 8.310 nan 0.000 0.584 160 Q N 1.132 120.856 119.800 -0.127 0.000 2.287 160 Q HA 0.149 4.487 4.340 -0.004 0.000 0.201 160 Q C -0.406 175.449 176.000 -0.241 0.000 0.946 160 Q CA 0.522 56.173 55.803 -0.252 0.000 0.868 160 Q CB 0.214 28.687 28.738 -0.443 0.000 0.967 160 Q HN 0.729 nan 8.270 nan 0.000 0.516 161 H N -0.099 119.012 119.070 0.069 0.000 2.487 161 H HA 0.521 5.075 4.556 -0.004 0.000 0.333 161 H C -0.478 174.931 175.328 0.135 0.000 1.114 161 H CA -0.270 55.850 56.048 0.120 0.000 1.310 161 H CB 1.528 31.371 29.762 0.135 0.000 1.462 161 H HN 0.335 nan 8.280 nan 0.000 0.516 162 A N 2.917 125.917 122.820 0.301 0.000 2.346 162 A HA 0.403 4.721 4.320 -0.004 0.000 0.252 162 A C -0.189 177.599 177.584 0.340 0.000 1.089 162 A CA -0.280 51.934 52.037 0.296 0.000 0.797 162 A CB 0.103 19.306 19.000 0.339 0.000 1.047 162 A HN 0.721 nan 8.150 nan 0.000 0.494 163 I N 1.667 122.424 120.570 0.312 0.000 2.439 163 I HA 0.293 4.460 4.170 -0.004 0.000 0.283 163 I C -0.475 175.791 176.117 0.250 0.000 1.023 163 I CA -0.596 60.883 61.300 0.298 0.000 1.100 163 I CB 1.583 39.765 38.000 0.302 0.000 1.238 163 I HN 0.417 nan 8.210 nan 0.000 0.445 164 V N 6.252 126.301 119.914 0.225 0.000 2.439 164 V HA 0.834 4.952 4.120 -0.004 0.000 0.282 164 V C -0.025 176.185 176.094 0.193 0.000 1.039 164 V CA -0.018 62.375 62.300 0.154 0.000 0.913 164 V CB 1.453 33.315 31.823 0.065 0.000 0.983 164 V HN 0.797 nan 8.190 nan 0.000 0.460 165 A N 5.129 128.058 122.820 0.181 0.000 2.310 165 A HA 0.577 4.895 4.320 -0.004 0.000 0.304 165 A C -0.744 176.872 177.584 0.054 0.000 1.231 165 A CA -0.540 51.581 52.037 0.141 0.000 0.799 165 A CB 0.374 19.501 19.000 0.213 0.000 1.162 165 A HN 1.111 nan 8.150 nan 0.000 0.486 166 H N 1.373 120.339 119.070 -0.174 0.000 2.473 166 H HA 0.642 5.196 4.556 -0.004 0.000 0.327 166 H C -1.394 173.682 175.328 -0.419 0.000 1.105 166 H CA -0.336 55.617 56.048 -0.159 0.000 1.280 166 H CB 0.748 30.440 29.762 -0.116 0.000 1.450 166 H HN 0.558 nan 8.280 nan 0.000 0.492 167 F N 2.537 122.612 119.950 0.207 0.000 2.529 167 F HA 0.249 4.774 4.527 -0.004 0.000 0.320 167 F C -0.428 175.409 175.800 0.061 0.000 1.118 167 F CA -0.824 57.272 58.000 0.160 0.000 0.915 167 F CB 1.495 40.652 39.000 0.261 0.000 1.161 167 F HN 0.610 nan 8.300 nan 0.000 0.445 168 H N 1.479 120.758 119.070 0.348 0.000 2.504 168 H HA 0.504 5.057 4.556 -0.003 0.000 0.322 168 H C -0.568 174.905 175.328 0.242 0.000 1.055 168 H CA -0.704 55.487 56.048 0.238 0.000 1.231 168 H CB 1.378 31.249 29.762 0.182 0.000 1.417 168 H HN 0.647 nan 8.280 nan 0.000 0.472 169 E N 1.257 121.655 120.200 0.329 0.000 8.710 169 E HA -0.214 4.134 4.350 -0.004 0.000 0.468 169 E C 0.509 177.407 176.600 0.497 0.000 1.162 169 E CA 0.648 57.260 56.400 0.354 0.000 2.026 169 E CB -0.329 29.485 29.700 0.190 0.000 1.008 169 E HN 0.845 nan 8.360 nan 0.000 0.263 170 W N 3.540 125.092 121.300 0.421 0.000 2.374 170 W HA -0.148 4.510 4.660 -0.004 0.000 0.288 170 W C 1.202 177.825 176.519 0.173 0.000 1.218 170 W CA 1.204 58.720 57.345 0.285 0.000 1.245 170 W CB -0.818 28.746 29.460 0.173 0.000 1.126 170 W HN 0.482 nan 8.180 nan 0.000 0.545 171 L N 1.851 122.728 121.223 -0.577 0.000 2.191 171 L HA -0.074 4.264 4.340 -0.004 0.000 0.212 171 L C 2.751 179.558 176.870 -0.104 0.000 1.103 171 L CA 1.885 56.386 54.840 -0.565 0.000 0.769 171 L CB -0.942 40.679 42.059 -0.731 0.000 0.908 171 L HN 0.055 nan 8.230 nan 0.000 0.438 172 A N -0.671 122.172 122.820 0.039 0.000 2.415 172 A HA 0.388 4.706 4.320 -0.004 0.000 0.248 172 A C 1.749 179.458 177.584 0.208 0.000 1.299 172 A CA 0.508 52.645 52.037 0.166 0.000 0.899 172 A CB -0.423 18.722 19.000 0.240 0.000 0.997 172 A HN 0.330 nan 8.150 nan 0.000 0.506 173 G N -1.323 107.538 108.800 0.102 0.000 3.277 173 G HA2 0.277 4.235 3.960 -0.004 0.000 0.243 173 G HA3 0.277 4.235 3.960 -0.004 0.000 0.243 173 G C 0.900 175.652 174.900 -0.246 0.000 1.107 173 G CA 0.639 45.679 45.100 -0.100 0.000 0.771 173 G HN 0.188 nan 8.290 nan 0.000 0.544 174 V N 1.260 121.090 119.914 -0.140 0.000 2.667 174 V HA -0.064 4.054 4.120 -0.004 0.000 0.252 174 V C 3.066 178.955 176.094 -0.340 0.000 1.065 174 V CA 1.707 63.896 62.300 -0.185 0.000 1.083 174 V CB -0.230 31.552 31.823 -0.069 0.000 0.692 174 V HN 0.401 nan 8.190 nan 0.000 0.468 175 A N -0.280 122.318 122.820 -0.369 0.000 2.125 175 A HA -0.088 4.230 4.320 -0.004 0.000 0.219 175 A C 2.184 179.446 177.584 -0.537 0.000 1.156 175 A CA 1.348 53.127 52.037 -0.430 0.000 0.671 175 A CB -0.380 18.469 19.000 -0.251 0.000 0.794 175 A HN 0.524 nan 8.150 nan 0.000 0.459 176 L N -0.738 120.109 121.223 -0.627 0.000 2.068 176 L HA -0.052 4.286 4.340 -0.004 0.000 0.204 176 L C -0.437 176.209 176.870 -0.375 0.000 1.076 176 L CA 1.050 55.544 54.840 -0.576 0.000 0.753 176 L CB -1.166 40.522 42.059 -0.618 0.000 0.910 176 L HN 0.188 nan 8.230 nan 0.000 0.439 177 P HA -0.208 nan 4.420 nan 0.000 0.213 177 P C 1.896 179.047 177.300 -0.249 0.000 1.170 177 P CA 1.525 64.467 63.100 -0.263 0.000 0.902 177 P CB -0.024 31.529 31.700 -0.245 0.000 0.789 178 L N -1.211 119.826 121.223 -0.310 0.000 2.021 178 L HA -0.301 4.037 4.340 -0.004 0.000 0.215 178 L C 2.684 179.423 176.870 -0.217 0.000 1.074 178 L CA 1.844 56.503 54.840 -0.302 0.000 0.760 178 L CB -1.679 40.108 42.059 -0.454 0.000 0.889 178 L HN 0.093 nan 8.230 nan 0.000 0.433 179 C N -0.651 118.522 119.300 -0.211 0.000 2.413 179 C HA -0.188 4.269 4.460 -0.004 0.000 0.276 179 C C 3.095 178.021 174.990 -0.107 0.000 1.236 179 C CA 1.123 60.061 59.018 -0.134 0.000 1.735 179 C CB -0.982 26.693 27.740 -0.109 0.000 2.031 179 C HN 0.476 nan 8.230 nan 0.000 0.474 180 R N 0.900 121.323 120.500 -0.127 0.000 2.066 180 R HA -0.127 4.211 4.340 -0.004 0.000 0.232 180 R C 2.414 178.657 176.300 -0.094 0.000 1.131 180 R CA 1.358 57.396 56.100 -0.103 0.000 0.955 180 R CB -0.312 29.918 30.300 -0.116 0.000 0.851 180 R HN 0.304 nan 8.270 nan 0.000 0.432 181 K N 1.179 121.511 120.400 -0.112 0.000 1.991 181 K HA -0.162 4.155 4.320 -0.004 0.000 0.212 181 K C 1.840 178.392 176.600 -0.079 0.000 1.049 181 K CA 1.800 58.029 56.287 -0.097 0.000 0.932 181 K CB -0.199 32.236 32.500 -0.110 0.000 0.717 181 K HN 0.254 nan 8.250 nan 0.000 0.441 182 R N 0.410 120.858 120.500 -0.086 0.000 2.339 182 R HA 0.029 4.367 4.340 -0.004 0.000 0.199 182 R C 0.356 176.627 176.300 -0.048 0.000 1.018 182 R CA 0.090 56.149 56.100 -0.068 0.000 1.036 182 R CB -0.195 30.056 30.300 -0.081 0.000 0.899 182 R HN 0.153 nan 8.270 nan 0.000 0.473 183 R N 1.273 121.746 120.500 -0.046 0.000 3.322 183 R HA -0.156 4.182 4.340 -0.004 0.000 0.253 183 R C -0.365 175.932 176.300 -0.006 0.000 0.987 183 R CA 0.308 56.394 56.100 -0.024 0.000 0.666 183 R CB -1.298 28.992 30.300 -0.016 0.000 1.072 183 R HN 0.197 nan 8.270 nan 0.000 0.447 184 I N 0.142 120.705 120.570 -0.011 0.000 2.692 184 I HA -0.037 4.131 4.170 -0.004 0.000 0.284 184 I C 1.032 177.176 176.117 0.044 0.000 1.159 184 I CA 0.271 61.577 61.300 0.011 0.000 1.423 184 I CB 0.544 38.544 38.000 -0.001 0.000 1.380 184 I HN 0.154 nan 8.210 nan 0.000 0.580 185 D N 5.648 126.093 120.400 0.074 0.000 2.801 185 D HA 0.273 4.911 4.640 -0.004 0.000 0.232 185 D C -0.533 175.863 176.300 0.160 0.000 1.128 185 D CA 0.026 54.103 54.000 0.127 0.000 1.003 185 D CB -0.210 40.674 40.800 0.140 0.000 1.110 185 D HN 0.326 nan 8.370 nan 0.000 0.477 186 V N -0.839 119.149 119.914 0.122 0.000 2.876 186 V HA 0.642 4.760 4.120 -0.004 0.000 0.312 186 V C 0.165 176.300 176.094 0.068 0.000 1.085 186 V CA -1.241 61.142 62.300 0.137 0.000 0.945 186 V CB 1.494 33.408 31.823 0.151 0.000 1.017 186 V HN 0.002 nan 8.190 nan 0.000 0.428 187 V N 0.984 120.920 119.914 0.037 0.000 2.509 187 V HA 0.856 4.974 4.120 -0.004 0.000 0.284 187 V C 0.428 176.540 176.094 0.031 0.000 1.047 187 V CA 0.364 62.639 62.300 -0.042 0.000 0.952 187 V CB 0.773 32.512 31.823 -0.141 0.000 0.988 187 V HN 1.309 nan 8.190 nan 0.000 0.469 188 T N 2.880 117.451 114.554 0.028 0.000 2.829 188 T HA 0.799 5.147 4.350 -0.004 0.000 0.280 188 T C -0.607 174.130 174.700 0.061 0.000 0.999 188 T CA -0.632 61.538 62.100 0.117 0.000 0.983 188 T CB 1.423 70.364 68.868 0.121 0.000 0.968 188 T HN 0.674 nan 8.240 nan 0.000 0.446 189 I N 3.029 123.642 120.570 0.072 0.000 2.436 189 I HA 0.518 4.686 4.170 -0.004 0.000 0.289 189 I C -1.187 175.017 176.117 0.145 0.000 1.010 189 I CA -1.049 60.208 61.300 -0.072 0.000 1.098 189 I CB 1.882 39.556 38.000 -0.545 0.000 1.266 189 I HN 0.640 nan 8.210 nan 0.000 0.434 190 F N 5.181 125.160 119.950 0.048 0.000 2.427 190 F HA 0.543 5.068 4.527 -0.003 0.000 0.348 190 F C -0.304 175.599 175.800 0.171 0.000 1.125 190 F CA -0.255 57.845 58.000 0.167 0.000 0.989 190 F CB 1.507 40.606 39.000 0.165 0.000 1.165 190 F HN 0.317 nan 8.300 nan 0.000 0.442 191 T N 4.327 118.642 114.554 -0.398 0.000 2.824 191 T HA 0.388 4.735 4.350 -0.004 0.000 0.280 191 T C -0.525 173.779 174.700 -0.659 0.000 0.995 191 T CA -0.437 61.397 62.100 -0.443 0.000 1.009 191 T CB 1.427 70.229 68.868 -0.109 0.000 0.955 191 T HN 0.621 nan 8.240 nan 0.000 0.452 192 T N 2.088 116.337 114.554 -0.507 0.000 2.812 192 T HA 0.281 4.629 4.350 -0.004 0.000 0.282 192 T C 0.312 174.949 174.700 -0.106 0.000 0.990 192 T CA -0.655 61.320 62.100 -0.208 0.000 0.960 192 T CB 0.395 69.278 68.868 0.025 0.000 0.948 192 T HN 0.643 nan 8.240 nan 0.000 0.438 193 H N 2.815 121.918 119.070 0.055 0.000 2.537 193 H HA 0.574 5.128 4.556 -0.004 0.000 0.295 193 H C 0.616 176.015 175.328 0.119 0.000 1.054 193 H CA 0.083 56.175 56.048 0.074 0.000 1.156 193 H CB 0.322 30.132 29.762 0.080 0.000 1.468 193 H HN 0.765 nan 8.280 nan 0.000 0.551 194 A N 0.377 123.343 122.820 0.243 0.000 2.440 194 A HA 0.298 4.615 4.320 -0.004 0.000 0.298 194 A C -0.456 177.318 177.584 0.316 0.000 0.955 194 A CA -0.385 51.820 52.037 0.280 0.000 0.581 194 A CB 0.154 19.340 19.000 0.311 0.000 1.424 194 A HN 0.185 nan 8.150 nan 0.000 0.484 195 T N -1.157 113.606 114.554 0.348 0.000 2.924 195 T HA 0.668 5.016 4.350 -0.004 0.000 0.291 195 T C 0.943 175.811 174.700 0.280 0.000 1.045 195 T CA -0.237 62.052 62.100 0.315 0.000 1.015 195 T CB 1.228 70.279 68.868 0.305 0.000 1.103 195 T HN 0.852 nan 8.240 nan 0.000 0.496 196 L N 0.663 122.026 121.223 0.233 0.000 2.027 196 L HA 0.056 4.394 4.340 -0.004 0.000 0.206 196 L C 2.568 179.563 176.870 0.209 0.000 1.074 196 L CA 1.127 56.088 54.840 0.201 0.000 0.745 196 L CB -0.427 41.650 42.059 0.030 0.000 0.898 196 L HN 0.682 nan 8.230 nan 0.000 0.433 197 L N -1.057 120.273 121.223 0.179 0.000 2.093 197 L HA -0.109 4.229 4.340 -0.004 0.000 0.208 197 L C 2.599 179.509 176.870 0.068 0.000 1.085 197 L CA 1.056 55.967 54.840 0.119 0.000 0.755 197 L CB -1.098 41.048 42.059 0.145 0.000 0.904 197 L HN 0.327 nan 8.230 nan 0.000 0.435 198 G N 0.183 109.049 108.800 0.110 0.000 2.514 198 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.217 198 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.217 198 G C 1.672 176.129 174.900 -0.739 0.000 1.198 198 G CA 0.623 45.645 45.100 -0.131 0.000 0.780 198 G HN 0.245 nan 8.290 nan 0.000 0.565 199 R N -0.620 119.598 120.500 -0.471 0.000 2.097 199 R HA -0.140 4.197 4.340 -0.004 0.000 0.236 199 R C 2.420 178.382 176.300 -0.564 0.000 1.135 199 R CA 1.770 57.530 56.100 -0.566 0.000 0.934 199 R CB -0.899 29.254 30.300 -0.246 0.000 0.846 199 R HN 0.500 nan 8.270 nan 0.000 0.431 200 Y N 1.117 121.134 120.300 -0.471 0.000 2.333 200 Y HA -0.128 4.420 4.550 -0.003 0.000 0.290 200 Y C 2.364 177.866 175.900 -0.663 0.000 1.144 200 Y CA 0.988 58.671 58.100 -0.694 0.000 1.228 200 Y CB -0.186 37.601 38.460 -1.122 0.000 0.985 200 Y HN 0.023 nan 8.280 nan 0.000 0.542 201 L N -1.900 119.145 121.223 -0.296 0.000 2.044 201 L HA -0.220 4.118 4.340 -0.004 0.000 0.205 201 L C 2.081 178.862 176.870 -0.148 0.000 1.075 201 L CA 0.879 55.683 54.840 -0.061 0.000 0.747 201 L CB -0.682 41.448 42.059 0.118 0.000 0.903 201 L HN 0.233 nan 8.230 nan 0.000 0.435 202 C N 0.179 119.205 119.300 -0.458 0.000 2.491 202 C HA 0.042 4.500 4.460 -0.004 0.000 0.277 202 C C 2.625 177.527 174.990 -0.147 0.000 1.455 202 C CA 0.409 59.210 59.018 -0.361 0.000 1.758 202 C CB -1.329 25.948 27.740 -0.772 0.000 1.745 202 C HN 0.513 nan 8.230 nan 0.000 0.558 203 A N 0.856 123.571 122.820 -0.175 0.000 2.238 203 A HA 0.066 4.384 4.320 -0.004 0.000 0.208 203 A C 2.066 179.657 177.584 0.012 0.000 1.177 203 A CA 1.362 53.343 52.037 -0.093 0.000 0.804 203 A CB -0.245 18.649 19.000 -0.177 0.000 0.823 203 A HN 0.665 nan 8.150 nan 0.000 0.482 204 S N -1.602 114.130 115.700 0.054 0.000 2.541 204 S HA 0.563 5.031 4.470 -0.004 0.000 0.219 204 S C 1.016 175.675 174.600 0.098 0.000 1.025 204 S CA 0.867 59.123 58.200 0.093 0.000 0.917 204 S CB -0.200 63.076 63.200 0.127 0.000 0.859 204 S HN 1.831 nan 8.310 nan 0.000 0.584 209 F N 0.796 120.876 119.950 0.217 0.000 1.997 209 F HA 0.234 4.759 4.527 -0.004 0.000 0.217 209 F C 1.141 176.976 175.800 0.058 0.000 1.228 209 F CA -0.293 57.726 58.000 0.031 0.000 1.297 209 F CB -0.089 38.773 39.000 -0.229 0.000 1.821 209 F HN 0.420 nan 8.300 nan 0.000 0.270 210 Y N 2.099 122.499 120.300 0.168 0.000 2.425 210 Y HA -0.285 4.263 4.550 -0.003 0.000 0.285 210 Y C 1.890 177.814 175.900 0.041 0.000 1.170 210 Y CA 1.461 59.574 58.100 0.022 0.000 1.304 210 Y CB -0.991 37.530 38.460 0.102 0.000 0.972 210 Y HN 0.204 nan 8.280 nan 0.000 0.558 211 N N -0.256 118.556 118.700 0.185 0.000 2.202 211 N HA -0.095 4.643 4.740 -0.004 0.000 0.191 211 N C 1.570 177.119 175.510 0.066 0.000 1.054 211 N CA 1.616 54.749 53.050 0.137 0.000 0.877 211 N CB -1.050 37.523 38.487 0.142 0.000 1.057 211 N HN 0.397 nan 8.380 nan 0.000 0.456 212 C N 2.171 121.500 119.300 0.048 0.000 2.460 212 C HA 0.307 4.765 4.460 -0.004 0.000 0.322 212 C C 2.098 177.060 174.990 -0.046 0.000 1.333 212 C CA -0.717 58.313 59.018 0.019 0.000 1.631 212 C CB -2.157 25.614 27.740 0.052 0.000 1.672 212 C HN 0.391 nan 8.230 nan 0.000 0.596 213 L N -0.119 121.009 121.223 -0.159 0.000 2.418 213 L HA 0.199 4.537 4.340 -0.004 0.000 0.218 213 L C 1.990 178.720 176.870 -0.232 0.000 1.125 213 L CA 1.416 56.084 54.840 -0.288 0.000 0.835 213 L CB -1.180 40.451 42.059 -0.712 0.000 0.953 213 L HN 0.353 nan 8.230 nan 0.000 0.454 214 E N 0.646 120.713 120.200 -0.222 0.000 2.494 214 E HA 0.046 4.393 4.350 -0.004 0.000 0.193 214 E C 0.729 177.315 176.600 -0.022 0.000 1.074 214 E CA 0.708 56.965 56.400 -0.239 0.000 0.867 214 E CB -0.183 29.338 29.700 -0.299 0.000 0.924 214 E HN 0.728 nan 8.360 nan 0.000 0.502 215 S N -0.504 115.186 115.700 -0.016 0.000 3.101 215 S HA 0.160 4.628 4.470 -0.004 0.000 0.252 215 S C 0.131 174.744 174.600 0.022 0.000 0.920 215 S CA -0.627 57.584 58.200 0.019 0.000 1.158 215 S CB -0.184 63.028 63.200 0.020 0.000 1.125 215 S HN 0.088 nan 8.310 nan 0.000 0.608 216 V N -0.302 119.625 119.914 0.022 0.000 2.532 216 V HA 0.652 4.770 4.120 -0.004 0.000 0.295 216 V C -0.268 175.852 176.094 0.043 0.000 1.041 216 V CA -0.722 61.601 62.300 0.039 0.000 0.926 216 V CB 1.201 33.056 31.823 0.054 0.000 0.992 216 V HN 0.253 nan 8.190 nan 0.000 0.457 217 D N 2.947 123.376 120.400 0.048 0.000 2.383 217 D HA 0.186 4.824 4.640 -0.004 0.000 0.245 217 D C 1.167 177.496 176.300 0.048 0.000 1.263 217 D CA 0.259 54.288 54.000 0.048 0.000 0.936 217 D CB 1.240 42.061 40.800 0.036 0.000 1.053 217 D HN 0.587 nan 8.370 nan 0.000 0.507 218 V N 1.951 121.869 119.914 0.007 0.000 2.255 218 V HA -0.232 3.886 4.120 -0.004 0.000 0.247 218 V C 1.625 177.611 176.094 -0.181 0.000 1.051 218 V CA 1.596 63.828 62.300 -0.113 0.000 1.018 218 V CB -0.559 31.203 31.823 -0.101 0.000 0.641 218 V HN 0.333 nan 8.190 nan 0.000 0.445 219 D N -0.659 119.719 120.400 -0.036 0.000 2.221 219 D HA -0.180 4.458 4.640 -0.004 0.000 0.204 219 D C 2.108 178.419 176.300 0.019 0.000 0.982 219 D CA 1.847 55.887 54.000 0.066 0.000 0.857 219 D CB -0.410 40.470 40.800 0.134 0.000 0.934 219 D HN 0.798 nan 8.370 nan 0.000 0.475 220 H N 0.708 119.735 119.070 -0.072 0.000 2.399 220 H HA 0.032 4.586 4.556 -0.004 0.000 0.300 220 H C 1.482 176.747 175.328 -0.105 0.000 1.048 220 H CA 0.802 56.795 56.048 -0.090 0.000 1.370 220 H CB 0.607 30.323 29.762 -0.076 0.000 1.428 220 H HN 0.029 nan 8.280 nan 0.000 0.534 221 E N 0.986 121.105 120.200 -0.136 0.000 2.072 221 E HA -0.086 4.262 4.350 -0.004 0.000 0.191 221 E C 2.357 178.889 176.600 -0.114 0.000 0.985 221 E CA 0.806 57.103 56.400 -0.173 0.000 0.801 221 E CB -0.298 29.435 29.700 0.056 0.000 0.750 221 E HN 0.517 nan 8.360 nan 0.000 0.452 222 A N 1.643 124.400 122.820 -0.105 0.000 1.908 222 A HA -0.128 4.190 4.320 -0.004 0.000 0.218 222 A C 2.498 180.066 177.584 -0.027 0.000 1.181 222 A CA 2.073 54.067 52.037 -0.072 0.000 0.627 222 A CB -1.219 17.654 19.000 -0.210 0.000 0.818 222 A HN 0.340 nan 8.150 nan 0.000 0.445 223 G N -0.414 108.328 108.800 -0.097 0.000 2.480 223 G HA2 -0.309 3.649 3.960 -0.004 0.000 0.216 223 G HA3 -0.309 3.649 3.960 -0.004 0.000 0.216 223 G C 1.671 176.427 174.900 -0.239 0.000 1.200 223 G CA 1.233 46.238 45.100 -0.159 0.000 0.782 223 G HN 0.622 nan 8.290 nan 0.000 0.554 224 R N -0.613 119.616 120.500 -0.452 0.000 2.174 224 R HA -0.133 4.205 4.340 -0.004 0.000 0.253 224 R C 1.850 177.875 176.300 -0.460 0.000 1.165 224 R CA 1.673 57.450 56.100 -0.537 0.000 0.984 224 R CB -0.385 29.453 30.300 -0.770 0.000 0.873 224 R HN 0.403 nan 8.270 nan 0.000 0.456 225 F N -0.861 118.980 119.950 -0.182 0.000 2.749 225 F HA 0.343 4.868 4.527 -0.003 0.000 0.300 225 F C 1.502 177.194 175.800 -0.180 0.000 1.103 225 F CA 0.600 58.487 58.000 -0.188 0.000 1.342 225 F CB 0.780 39.569 39.000 -0.352 0.000 1.098 225 F HN 0.256 nan 8.300 nan 0.000 0.586 226 G N 0.745 109.550 108.800 0.009 0.000 2.182 226 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.248 226 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.248 226 G C 0.624 175.545 174.900 0.035 0.000 1.042 226 G CA 0.286 45.413 45.100 0.045 0.000 0.775 226 G HN 0.218 nan 8.290 nan 0.000 0.501 227 I N -0.749 119.782 120.570 -0.065 0.000 4.154 227 I HA 0.211 4.379 4.170 -0.004 0.000 0.334 227 I C 1.927 177.905 176.117 -0.232 0.000 1.371 227 I CA -0.694 60.441 61.300 -0.276 0.000 1.110 227 I CB -0.862 36.876 38.000 -0.437 0.000 1.085 227 I HN 0.320 nan 8.210 nan 0.000 0.398 228 Y N 3.333 123.583 120.300 -0.083 0.000 2.081 228 Y HA -0.344 4.203 4.550 -0.004 0.000 0.280 228 Y C 2.946 178.868 175.900 0.037 0.000 1.163 228 Y CA 2.573 60.687 58.100 0.024 0.000 1.135 228 Y CB -0.399 38.116 38.460 0.091 0.000 0.970 228 Y HN 0.436 nan 8.280 nan 0.000 0.498 229 H N -0.627 118.439 119.070 -0.006 0.000 2.387 229 H HA -0.096 4.458 4.556 -0.003 0.000 0.299 229 H C 2.091 177.311 175.328 -0.180 0.000 1.099 229 H CA 1.733 57.737 56.048 -0.073 0.000 1.315 229 H CB -0.765 29.015 29.762 0.031 0.000 1.380 229 H HN 0.370 nan 8.280 nan 0.000 0.513 230 R N -0.093 119.974 120.500 -0.722 0.000 2.062 230 R HA -0.123 4.215 4.340 -0.004 0.000 0.229 230 R C 2.403 178.299 176.300 -0.674 0.000 1.128 230 R CA 1.271 56.878 56.100 -0.821 0.000 0.960 230 R CB -0.674 29.003 30.300 -1.038 0.000 0.855 230 R HN 0.312 nan 8.270 nan 0.000 0.432 231 Y N 1.364 121.311 120.300 -0.589 0.000 2.151 231 Y HA -0.335 4.213 4.550 -0.004 0.000 0.284 231 Y C 2.298 177.973 175.900 -0.375 0.000 1.166 231 Y CA 1.289 59.134 58.100 -0.425 0.000 1.163 231 Y CB -0.427 37.842 38.460 -0.319 0.000 0.974 231 Y HN 0.052 nan 8.280 nan 0.000 0.511 232 C N 0.301 119.330 119.300 -0.451 0.000 2.425 232 C HA -0.172 4.286 4.460 -0.004 0.000 0.277 232 C C 2.749 177.536 174.990 -0.338 0.000 1.280 232 C CA 1.229 59.994 59.018 -0.422 0.000 1.744 232 C CB -1.395 26.145 27.740 -0.332 0.000 1.989 232 C HN 0.624 nan 8.230 nan 0.000 0.491 233 I N 0.683 121.090 120.570 -0.271 0.000 2.202 233 I HA -0.190 3.978 4.170 -0.004 0.000 0.242 233 I C 2.650 178.638 176.117 -0.214 0.000 1.091 233 I CA 1.639 62.839 61.300 -0.167 0.000 1.368 233 I CB -0.700 37.308 38.000 0.014 0.000 1.058 233 I HN 0.409 nan 8.210 nan 0.000 0.410 234 E N 1.224 121.270 120.200 -0.258 0.000 2.110 234 E HA -0.262 4.086 4.350 -0.004 0.000 0.193 234 E C 2.401 178.797 176.600 -0.339 0.000 0.988 234 E CA 1.143 57.448 56.400 -0.159 0.000 0.804 234 E CB 0.057 29.676 29.700 -0.135 0.000 0.745 234 E HN 0.265 nan 8.360 nan 0.000 0.458 235 R N -0.167 120.022 120.500 -0.518 0.000 2.057 235 R HA -0.091 4.247 4.340 -0.004 0.000 0.229 235 R C 2.324 178.405 176.300 -0.366 0.000 1.136 235 R CA 1.175 56.974 56.100 -0.502 0.000 0.952 235 R CB -0.331 29.627 30.300 -0.571 0.000 0.848 235 R HN 0.199 nan 8.270 nan 0.000 0.430 236 A N 1.026 123.665 122.820 -0.301 0.000 1.892 236 A HA -0.227 4.091 4.320 -0.004 0.000 0.218 236 A C 2.367 179.726 177.584 -0.374 0.000 1.188 236 A CA 2.100 53.986 52.037 -0.252 0.000 0.631 236 A CB -0.942 17.922 19.000 -0.228 0.000 0.822 236 A HN 0.565 nan 8.150 nan 0.000 0.447 237 A N -0.323 122.176 122.820 -0.536 0.000 1.892 237 A HA 0.075 4.393 4.320 -0.004 0.000 0.218 237 A C 2.513 179.542 177.584 -0.924 0.000 1.188 237 A CA 2.466 53.967 52.037 -0.893 0.000 0.631 237 A CB -1.064 17.097 19.000 -1.398 0.000 0.822 237 A HN 1.215 nan 8.150 nan 0.000 0.447 238 A N -1.826 120.506 122.820 -0.814 0.000 1.969 238 A HA -0.118 4.199 4.320 -0.004 0.000 0.218 238 A C 2.000 179.108 177.584 -0.795 0.000 1.169 238 A CA 1.479 52.982 52.037 -0.891 0.000 0.635 238 A CB -0.681 17.529 19.000 -1.317 0.000 0.810 238 A HN 0.675 nan 8.150 nan 0.000 0.445 239 H N -0.918 117.897 119.070 -0.423 0.000 2.520 239 H HA 0.119 4.673 4.556 -0.003 0.000 0.279 239 H C 2.090 177.283 175.328 -0.225 0.000 0.990 239 H CA 1.208 57.082 56.048 -0.290 0.000 1.288 239 H CB 0.055 29.668 29.762 -0.248 0.000 1.446 239 H HN 0.462 nan 8.280 nan 0.000 0.538 240 S N 0.681 116.288 115.700 -0.155 0.000 2.461 240 S HA 0.121 4.589 4.470 -0.004 0.000 0.228 240 S C 1.319 175.837 174.600 -0.137 0.000 1.005 240 S CA 0.246 58.351 58.200 -0.157 0.000 0.942 240 S CB 0.032 63.099 63.200 -0.221 0.000 0.776 240 S HN 0.403 nan 8.310 nan 0.000 0.514 241 A N 1.830 124.571 122.820 -0.132 0.000 2.425 241 A HA 0.230 4.548 4.320 -0.004 0.000 0.249 241 A C 0.695 178.270 177.584 -0.016 0.000 1.084 241 A CA -0.415 51.595 52.037 -0.044 0.000 0.781 241 A CB 0.169 19.215 19.000 0.076 0.000 1.019 241 A HN 0.112 nan 8.150 nan 0.000 0.490 242 D N 0.363 120.751 120.400 -0.020 0.000 2.149 242 D HA 0.016 4.654 4.640 -0.004 0.000 0.201 242 D C 0.185 176.473 176.300 -0.021 0.000 0.972 242 D CA 1.438 55.414 54.000 -0.041 0.000 0.835 242 D CB -0.039 40.715 40.800 -0.076 0.000 0.966 242 D HN 0.204 nan 8.370 nan 0.000 0.476 243 V N 1.211 121.126 119.914 0.002 0.000 2.483 243 V HA 0.262 4.379 4.120 -0.004 0.000 0.297 243 V C -1.050 175.111 176.094 0.112 0.000 1.027 243 V CA -1.005 61.302 62.300 0.012 0.000 0.855 243 V CB 2.228 34.008 31.823 -0.070 0.000 0.995 243 V HN -0.103 nan 8.190 nan 0.000 0.424 244 F N 5.193 125.122 119.950 -0.035 0.000 2.426 244 F HA 0.809 5.334 4.527 -0.003 0.000 0.348 244 F C 0.291 176.062 175.800 -0.047 0.000 1.124 244 F CA -0.390 57.608 58.000 -0.003 0.000 1.008 244 F CB 1.598 40.607 39.000 0.014 0.000 1.139 244 F HN 0.636 nan 8.300 nan 0.000 0.452 245 T N 1.480 115.681 114.554 -0.587 0.000 2.887 245 T HA 0.863 5.211 4.350 -0.004 0.000 0.292 245 T C -0.320 173.953 174.700 -0.711 0.000 1.087 245 T CA -0.391 61.352 62.100 -0.596 0.000 1.009 245 T CB 1.749 70.408 68.868 -0.348 0.000 1.203 245 T HN 0.790 nan 8.240 nan 0.000 0.518 246 T N -2.171 112.094 114.554 -0.480 0.000 2.838 246 T HA 0.530 4.877 4.350 -0.004 0.000 0.292 246 T C 1.295 175.828 174.700 -0.278 0.000 1.113 246 T CA -0.158 61.724 62.100 -0.365 0.000 1.008 246 T CB 1.080 69.799 68.868 -0.248 0.000 1.259 246 T HN 1.039 nan 8.240 nan 0.000 0.520 247 V N -0.718 119.044 119.914 -0.254 0.000 2.719 247 V HA 0.262 4.380 4.120 -0.004 0.000 0.252 247 V C 1.011 177.047 176.094 -0.096 0.000 1.065 247 V CA 0.957 63.117 62.300 -0.233 0.000 1.086 247 V CB -1.414 30.287 31.823 -0.203 0.000 0.700 247 V HN 1.149 nan 8.190 nan 0.000 0.467 248 S N -2.355 113.358 115.700 0.020 0.000 2.595 248 S HA 0.457 4.925 4.470 -0.004 0.000 0.281 248 S C 0.366 175.031 174.600 0.109 0.000 1.117 248 S CA -0.616 57.672 58.200 0.146 0.000 0.873 248 S CB 2.340 65.683 63.200 0.239 0.000 1.108 248 S HN 0.022 nan 8.310 nan 0.000 0.477 249 Q N 0.464 120.347 119.800 0.138 0.000 2.061 249 Q HA -0.091 4.247 4.340 -0.004 0.000 0.204 249 Q C 1.874 177.965 176.000 0.152 0.000 0.984 249 Q CA 1.956 57.834 55.803 0.124 0.000 0.846 249 Q CB -0.660 28.147 28.738 0.116 0.000 0.902 249 Q HN 0.870 nan 8.270 nan 0.000 0.421 250 I N 0.329 120.987 120.570 0.147 0.000 2.226 250 I HA -0.222 3.945 4.170 -0.004 0.000 0.245 250 I C 1.868 178.170 176.117 0.308 0.000 1.100 250 I CA 1.770 63.189 61.300 0.199 0.000 1.374 250 I CB -0.631 37.444 38.000 0.125 0.000 1.057 250 I HN 0.080 nan 8.210 nan 0.000 0.413 251 T N 0.827 115.515 114.554 0.223 0.000 2.915 251 T HA -0.023 4.325 4.350 -0.004 0.000 0.269 251 T C 1.868 176.684 174.700 0.193 0.000 1.071 251 T CA 1.135 63.364 62.100 0.216 0.000 1.132 251 T CB -0.422 68.525 68.868 0.133 0.000 0.878 251 T HN 0.535 nan 8.240 nan 0.000 0.479 252 A N 0.620 123.537 122.820 0.161 0.000 1.968 252 A HA 0.058 4.376 4.320 -0.004 0.000 0.217 252 A C 1.921 179.632 177.584 0.212 0.000 1.169 252 A CA 0.928 53.034 52.037 0.115 0.000 0.638 252 A CB -0.739 18.299 19.000 0.064 0.000 0.812 252 A HN 0.586 nan 8.150 nan 0.000 0.446 253 F N 0.868 120.909 119.950 0.151 0.000 2.128 253 F HA -0.098 4.427 4.527 -0.003 0.000 0.295 253 F C 2.124 178.078 175.800 0.256 0.000 1.100 253 F CA 1.938 60.063 58.000 0.209 0.000 1.260 253 F CB -0.256 38.854 39.000 0.183 0.000 1.009 253 F HN 0.380 nan 8.300 nan 0.000 0.476 254 E N 0.652 120.906 120.200 0.091 0.000 2.097 254 E HA -0.269 4.079 4.350 -0.004 0.000 0.196 254 E C 2.185 178.819 176.600 0.056 0.000 1.000 254 E CA 1.312 57.711 56.400 -0.003 0.000 0.804 254 E CB -0.369 29.506 29.700 0.292 0.000 0.740 254 E HN 0.531 nan 8.360 nan 0.000 0.454 255 A N 1.107 124.012 122.820 0.143 0.000 1.897 255 A HA -0.202 4.116 4.320 -0.004 0.000 0.215 255 A C 2.074 179.759 177.584 0.168 0.000 1.181 255 A CA 1.498 53.657 52.037 0.203 0.000 0.620 255 A CB -0.583 18.562 19.000 0.242 0.000 0.821 255 A HN 0.475 nan 8.150 nan 0.000 0.443 256 E N -0.781 119.484 120.200 0.108 0.000 2.058 256 E HA -0.294 4.054 4.350 -0.004 0.000 0.194 256 E C 1.732 178.273 176.600 -0.099 0.000 0.997 256 E CA 1.814 58.223 56.400 0.016 0.000 0.801 256 E CB -0.206 29.465 29.700 -0.048 0.000 0.746 256 E HN 0.795 nan 8.360 nan 0.000 0.450 257 H N -0.708 118.292 119.070 -0.117 0.000 2.512 257 H HA 0.110 4.664 4.556 -0.004 0.000 0.279 257 H C 1.756 177.064 175.328 -0.032 0.000 0.999 257 H CA 0.914 56.893 56.048 -0.115 0.000 1.283 257 H CB 0.280 29.881 29.762 -0.268 0.000 1.421 257 H HN 0.156 nan 8.280 nan 0.000 0.554 258 L N -0.616 120.676 121.223 0.116 0.000 2.253 258 L HA 0.062 4.400 4.340 -0.004 0.000 0.205 258 L C 1.379 178.401 176.870 0.253 0.000 1.078 258 L CA 0.572 55.514 54.840 0.171 0.000 0.805 258 L CB 0.155 42.325 42.059 0.185 0.000 0.963 258 L HN 0.241 nan 8.230 nan 0.000 0.459 259 L N -1.056 120.268 121.223 0.168 0.000 2.513 259 L HA 0.111 4.449 4.340 -0.004 0.000 0.222 259 L C 0.301 177.200 176.870 0.048 0.000 1.096 259 L CA -0.031 54.846 54.840 0.061 0.000 0.857 259 L CB 0.273 42.297 42.059 -0.058 0.000 1.026 259 L HN 0.108 nan 8.230 nan 0.000 0.469 260 K N 0.926 121.371 120.400 0.075 0.000 3.235 260 K HA -0.152 4.166 4.320 -0.004 0.000 0.273 260 K C -0.136 176.537 176.600 0.123 0.000 1.183 260 K CA 0.595 56.938 56.287 0.093 0.000 0.807 260 K CB -1.730 30.857 32.500 0.146 0.000 1.297 260 K HN 0.458 nan 8.250 nan 0.000 0.508 261 R N 0.581 121.103 120.500 0.036 0.000 2.535 261 R HA 0.289 4.627 4.340 -0.004 0.000 0.274 261 R C -1.134 175.279 176.300 0.187 0.000 1.090 261 R CA -0.856 55.283 56.100 0.065 0.000 0.930 261 R CB 1.528 31.732 30.300 -0.160 0.000 1.223 261 R HN 0.132 nan 8.270 nan 0.000 0.441 262 K N 5.143 125.632 120.400 0.149 0.000 2.349 262 K HA 0.274 4.591 4.320 -0.004 0.000 0.289 262 K C -2.187 174.524 176.600 0.186 0.000 1.064 262 K CA -1.635 54.736 56.287 0.139 0.000 0.947 262 K CB 0.825 33.369 32.500 0.073 0.000 1.007 262 K HN 0.303 nan 8.250 nan 0.000 0.478 263 P HA -0.062 nan 4.420 nan 0.000 0.264 263 P C -0.699 176.577 177.300 -0.041 0.000 1.183 263 P CA 0.153 63.188 63.100 -0.108 0.000 0.763 263 P CB 0.543 32.086 31.700 -0.261 0.000 0.807 264 D N 1.232 121.602 120.400 -0.050 0.000 2.340 264 D HA 0.190 4.827 4.640 -0.004 0.000 0.220 264 D C 1.146 177.413 176.300 -0.053 0.000 1.039 264 D CA 0.768 54.752 54.000 -0.026 0.000 0.866 264 D CB 0.230 41.020 40.800 -0.015 0.000 0.913 264 D HN 0.530 nan 8.370 nan 0.000 0.523 265 G N -0.343 108.399 108.800 -0.096 0.000 2.322 265 G HA2 0.347 4.305 3.960 -0.004 0.000 0.295 265 G HA3 0.347 4.305 3.960 -0.004 0.000 0.295 265 G C -1.887 172.939 174.900 -0.124 0.000 1.369 265 G CA -0.736 44.314 45.100 -0.084 0.000 0.821 265 G HN -0.081 nan 8.290 nan 0.000 0.536 266 I N 0.330 120.848 120.570 -0.086 0.000 2.530 266 I HA 0.532 4.700 4.170 -0.004 0.000 0.297 266 I C -0.218 175.829 176.117 -0.117 0.000 1.011 266 I CA -1.067 60.173 61.300 -0.100 0.000 1.107 266 I CB 1.537 39.519 38.000 -0.031 0.000 1.285 266 I HN 0.413 nan 8.210 nan 0.000 0.436 267 L N 7.181 128.303 121.223 -0.168 0.000 2.495 267 L HA 0.334 4.672 4.340 -0.004 0.000 0.248 267 L C -2.388 174.388 176.870 -0.158 0.000 1.229 267 L CA -1.514 53.257 54.840 -0.114 0.000 0.942 267 L CB 1.018 42.910 42.059 -0.279 0.000 1.242 267 L HN 0.258 nan 8.230 nan 0.000 0.484 268 P HA 0.055 nan 4.420 nan 0.000 0.269 268 P C -0.738 175.995 177.300 -0.944 0.000 1.209 268 P CA -0.212 62.386 63.100 -0.836 0.000 0.776 268 P CB 0.489 31.614 31.700 -0.959 0.000 0.876 269 N N 1.211 118.904 118.700 -1.677 0.000 2.408 269 N HA 0.315 5.053 4.740 -0.004 0.000 0.257 269 N C 0.699 175.569 175.510 -1.066 0.000 1.064 269 N CA 0.135 52.464 53.050 -1.201 0.000 0.952 269 N CB 0.622 38.328 38.487 -1.301 0.000 1.093 269 N HN 0.453 nan 8.380 nan 0.000 0.490 270 G N 0.822 108.682 108.800 -1.567 0.000 2.557 270 G HA2 0.662 4.620 3.960 -0.004 0.000 0.302 270 G HA3 0.662 4.620 3.960 -0.004 0.000 0.302 270 G C -0.501 173.843 174.900 -0.927 0.000 1.311 270 G CA -0.281 44.036 45.100 -1.305 0.000 1.030 270 G HN 0.356 nan 8.290 nan 0.000 0.509 271 L N -1.277 119.666 121.223 -0.467 0.000 2.283 271 L HA 0.426 4.764 4.340 -0.004 0.000 0.259 271 L C -0.141 176.815 176.870 0.142 0.000 1.027 271 L CA -0.936 53.920 54.840 0.026 0.000 0.828 271 L CB 1.827 44.017 42.059 0.218 0.000 1.380 271 L HN 0.361 nan 8.230 nan 0.000 0.425 272 N N -0.416 118.452 118.700 0.280 0.000 2.968 272 N HA 0.190 4.928 4.740 -0.004 0.000 0.271 272 N C 0.867 176.513 175.510 0.226 0.000 1.174 272 N CA 0.020 53.206 53.050 0.227 0.000 1.096 272 N CB 0.425 38.987 38.487 0.124 0.000 1.403 272 N HN 0.458 nan 8.380 nan 0.000 0.522 273 V N 2.115 122.167 119.914 0.229 0.000 2.453 273 V HA -0.262 3.856 4.120 -0.004 0.000 0.252 273 V C 2.170 178.419 176.094 0.258 0.000 1.068 273 V CA 1.330 63.799 62.300 0.282 0.000 1.070 273 V CB -0.579 31.332 31.823 0.146 0.000 0.664 273 V HN 0.697 nan 8.190 nan 0.000 0.461 274 I N 0.413 121.066 120.570 0.139 0.000 2.423 274 I HA -0.288 3.880 4.170 -0.004 0.000 0.254 274 I C 2.444 178.584 176.117 0.038 0.000 1.151 274 I CA 1.878 63.226 61.300 0.080 0.000 1.421 274 I CB -0.189 37.834 38.000 0.038 0.000 1.079 274 I HN 0.324 nan 8.210 nan 0.000 0.431 275 K N 0.105 120.493 120.400 -0.020 0.000 2.574 275 K HA -0.127 4.191 4.320 -0.004 0.000 0.193 275 K C 1.055 177.406 176.600 -0.416 0.000 1.035 275 K CA 1.065 57.213 56.287 -0.231 0.000 0.982 275 K CB -0.008 32.293 32.500 -0.332 0.000 0.795 275 K HN 0.324 nan 8.250 nan 0.000 0.491 276 F N 0.288 120.245 119.950 0.013 0.000 2.534 276 F HA 0.200 4.725 4.527 -0.003 0.000 0.274 276 F C 1.131 176.940 175.800 0.015 0.000 0.917 276 F CA -0.273 57.737 58.000 0.017 0.000 1.145 276 F CB -0.160 38.855 39.000 0.026 0.000 1.145 276 F HN -0.133 nan 8.300 nan 0.000 0.746 286 H N 1.275 120.351 119.070 0.010 0.000 2.319 286 H HA -0.151 4.403 4.556 -0.004 0.000 0.297 286 H C 1.809 177.143 175.328 0.010 0.000 1.097 286 H CA 2.788 58.835 56.048 -0.001 0.000 1.285 286 H CB 0.152 29.924 29.762 0.015 0.000 1.368 286 H HN 0.425 nan 8.280 nan 0.000 0.495 287 A N 0.673 123.472 122.820 -0.034 0.000 1.877 287 A HA -0.128 4.190 4.320 -0.004 0.000 0.216 287 A C 2.450 179.985 177.584 -0.081 0.000 1.186 287 A CA 1.558 53.559 52.037 -0.061 0.000 0.620 287 A CB -1.067 17.976 19.000 0.071 0.000 0.822 287 A HN 0.498 nan 8.150 nan 0.000 0.443 288 L N -0.937 120.263 121.223 -0.039 0.000 2.081 288 L HA -0.159 4.179 4.340 -0.004 0.000 0.212 288 L C 2.007 178.841 176.870 -0.059 0.000 1.080 288 L CA 2.335 57.156 54.840 -0.031 0.000 0.754 288 L CB -0.328 41.724 42.059 -0.011 0.000 0.893 288 L HN 0.199 nan 8.230 nan 0.000 0.433 289 K N -0.618 119.718 120.400 -0.107 0.000 2.166 289 K HA -0.001 4.317 4.320 -0.004 0.000 0.201 289 K C 2.048 178.552 176.600 -0.159 0.000 1.052 289 K CA 0.724 56.937 56.287 -0.124 0.000 0.969 289 K CB -0.252 32.169 32.500 -0.132 0.000 0.761 289 K HN 0.145 nan 8.250 nan 0.000 0.459 290 K N 0.890 121.140 120.400 -0.249 0.000 2.160 290 K HA -0.189 4.129 4.320 -0.004 0.000 0.206 290 K C 1.506 178.105 176.600 -0.001 0.000 1.047 290 K CA 1.299 57.486 56.287 -0.168 0.000 0.930 290 K CB 0.152 32.486 32.500 -0.277 0.000 0.720 290 K HN 0.049 nan 8.250 nan 0.000 0.450 291 E N 0.703 120.895 120.200 -0.014 0.000 2.106 291 E HA -0.140 4.208 4.350 -0.004 0.000 0.192 291 E C 1.870 178.491 176.600 0.034 0.000 0.984 291 E CA 0.881 57.302 56.400 0.035 0.000 0.806 291 E CB 0.101 29.814 29.700 0.022 0.000 0.750 291 E HN 0.214 nan 8.360 nan 0.000 0.458 292 K N 0.407 120.807 120.400 -0.002 0.000 2.097 292 K HA -0.075 4.243 4.320 -0.004 0.000 0.206 292 K C 2.258 178.873 176.600 0.025 0.000 1.049 292 K CA 0.683 56.971 56.287 0.000 0.000 0.933 292 K CB -0.183 32.298 32.500 -0.031 0.000 0.717 292 K HN 0.230 nan 8.250 nan 0.000 0.442 293 I N 1.378 121.944 120.570 -0.005 0.000 2.286 293 I HA -0.248 3.920 4.170 -0.004 0.000 0.245 293 I C 1.810 178.006 176.117 0.132 0.000 1.104 293 I CA 0.698 61.988 61.300 -0.017 0.000 1.397 293 I CB -0.386 37.438 38.000 -0.293 0.000 1.072 293 I HN 0.116 nan 8.210 nan 0.000 0.417 294 N N 1.303 120.116 118.700 0.188 0.000 2.036 294 N HA -0.225 4.512 4.740 -0.004 0.000 0.195 294 N C 1.447 177.038 175.510 0.135 0.000 1.037 294 N CA 1.665 54.860 53.050 0.241 0.000 0.855 294 N CB -0.613 38.001 38.487 0.211 0.000 1.033 294 N HN 0.299 nan 8.380 nan 0.000 0.423 295 D N 0.018 120.479 120.400 0.102 0.000 2.158 295 D HA -0.168 4.470 4.640 -0.004 0.000 0.197 295 D C 1.751 178.108 176.300 0.094 0.000 0.995 295 D CA 0.637 54.678 54.000 0.068 0.000 0.846 295 D CB -0.387 40.446 40.800 0.056 0.000 0.941 295 D HN 0.286 nan 8.370 nan 0.000 0.456 296 F N 1.215 121.183 119.950 0.030 0.000 2.128 296 F HA -0.141 4.384 4.527 -0.004 0.000 0.295 296 F C 2.112 178.009 175.800 0.161 0.000 1.100 296 F CA 0.834 58.869 58.000 0.060 0.000 1.260 296 F CB -0.417 38.600 39.000 0.027 0.000 1.009 296 F HN -0.216 nan 8.300 nan 0.000 0.476 297 V N 1.511 121.368 119.914 -0.095 0.000 2.469 297 V HA -0.284 3.834 4.120 -0.004 0.000 0.251 297 V C 2.516 178.532 176.094 -0.129 0.000 1.064 297 V CA 2.173 64.444 62.300 -0.049 0.000 1.066 297 V CB -0.831 31.144 31.823 0.253 0.000 0.667 297 V HN 0.329 nan 8.190 nan 0.000 0.461 298 R N 0.192 120.540 120.500 -0.253 0.000 2.073 298 R HA -0.030 4.307 4.340 -0.004 0.000 0.229 298 R C 2.480 178.663 176.300 -0.195 0.000 1.120 298 R CA 1.297 57.138 56.100 -0.432 0.000 0.967 298 R CB -0.718 29.375 30.300 -0.345 0.000 0.862 298 R HN 0.569 nan 8.270 nan 0.000 0.436 299 G N -0.148 108.584 108.800 -0.115 0.000 2.471 299 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.219 299 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.219 299 G C 1.181 176.104 174.900 0.039 0.000 1.125 299 G CA 0.464 45.545 45.100 -0.031 0.000 0.775 299 G HN 0.365 nan 8.290 nan 0.000 0.548 300 H N -0.793 118.150 119.070 -0.211 0.000 2.418 300 H HA 0.152 4.706 4.556 -0.004 0.000 0.300 300 H C 0.904 176.060 175.328 -0.287 0.000 1.041 300 H CA 0.299 56.181 56.048 -0.276 0.000 1.364 300 H CB 0.243 29.642 29.762 -0.606 0.000 1.439 300 H HN 0.374 nan 8.280 nan 0.000 0.540 301 F N 1.773 121.611 119.950 -0.187 0.000 2.664 301 F HA 0.072 4.597 4.527 -0.002 0.000 0.301 301 F C 0.514 176.189 175.800 -0.209 0.000 1.126 301 F CA -0.561 57.333 58.000 -0.177 0.000 1.373 301 F CB -0.370 38.630 39.000 0.001 0.000 1.042 301 F HN 0.275 nan 8.300 nan 0.000 0.535 302 H N -1.115 117.932 119.070 -0.038 0.000 3.038 302 H HA 0.332 4.885 4.556 -0.004 0.000 0.338 302 H C 1.345 176.677 175.328 0.007 0.000 1.041 302 H CA -0.141 55.888 56.048 -0.032 0.000 1.394 302 H CB 0.292 30.016 29.762 -0.063 0.000 1.357 302 H HN 0.314 nan 8.280 nan 0.000 0.600 303 G N 1.546 110.421 108.800 0.124 0.000 2.205 303 G HA2 -0.336 3.622 3.960 -0.004 0.000 0.261 303 G HA3 -0.336 3.622 3.960 -0.004 0.000 0.261 303 G C 0.480 175.404 174.900 0.040 0.000 0.980 303 G CA 0.481 45.627 45.100 0.078 0.000 0.632 303 G HN 1.746 nan 8.290 nan 0.000 0.533 304 C N -3.144 116.198 119.300 0.070 0.000 2.945 304 C HA 0.615 5.073 4.460 -0.004 0.000 0.216 304 C C -0.320 174.801 174.990 0.217 0.000 1.319 304 C CA -1.364 57.722 59.018 0.113 0.000 1.036 304 C CB -1.054 26.737 27.740 0.086 0.000 1.871 304 C HN 0.909 nan 8.230 nan 0.000 0.660 305 F N 4.238 124.160 119.950 -0.048 0.000 2.425 305 F HA 0.459 4.984 4.527 -0.004 0.000 0.354 305 F C 0.615 176.240 175.800 -0.292 0.000 1.162 305 F CA -0.831 57.032 58.000 -0.230 0.000 1.250 305 F CB 0.270 39.142 39.000 -0.214 0.000 1.579 305 F HN 0.628 nan 8.300 nan 0.000 0.589 306 D N 2.750 122.985 120.400 -0.275 0.000 2.388 306 D HA 0.143 4.781 4.640 -0.004 0.000 0.221 306 D C -0.361 175.829 176.300 -0.183 0.000 1.133 306 D CA -0.050 53.831 54.000 -0.199 0.000 0.831 306 D CB -0.688 40.127 40.800 0.024 0.000 0.962 306 D HN 0.171 nan 8.370 nan 0.000 0.502 307 F N -1.882 117.830 119.950 -0.396 0.000 2.629 307 F HA 0.608 5.132 4.527 -0.004 0.000 0.316 307 F C -0.764 174.809 175.800 -0.379 0.000 1.081 307 F CA -1.784 56.038 58.000 -0.296 0.000 0.954 307 F CB 0.996 39.891 39.000 -0.175 0.000 1.337 307 F HN -0.347 nan 8.300 nan 0.000 0.474 308 D N 1.613 122.018 120.400 0.008 0.000 2.347 308 D HA 0.299 4.937 4.640 -0.004 0.000 0.235 308 D C 0.842 177.190 176.300 0.080 0.000 1.149 308 D CA -0.155 53.816 54.000 -0.049 0.000 0.850 308 D CB 1.145 41.919 40.800 -0.043 0.000 1.061 308 D HN 0.688 nan 8.370 nan 0.000 0.487 309 L N 2.473 123.762 121.223 0.110 0.000 2.191 309 L HA -0.112 4.226 4.340 -0.004 0.000 0.212 309 L C 1.106 178.035 176.870 0.098 0.000 1.103 309 L CA 0.807 55.762 54.840 0.192 0.000 0.769 309 L CB -0.044 42.179 42.059 0.275 0.000 0.908 309 L HN 0.408 nan 8.230 nan 0.000 0.438 310 D N -0.247 120.189 120.400 0.060 0.000 2.378 310 D HA -0.105 4.533 4.640 -0.004 0.000 0.227 310 D C 0.947 177.243 176.300 -0.006 0.000 1.012 310 D CA 0.831 54.851 54.000 0.033 0.000 0.905 310 D CB -0.031 40.782 40.800 0.022 0.000 0.895 310 D HN 0.191 nan 8.370 nan 0.000 0.532 311 N N -0.468 118.223 118.700 -0.016 0.000 2.387 311 N HA 0.000 4.738 4.740 -0.004 0.000 0.259 311 N C -1.158 174.299 175.510 -0.088 0.000 1.369 311 N CA -0.058 52.958 53.050 -0.056 0.000 0.867 311 N CB 0.794 39.255 38.487 -0.044 0.000 1.341 311 N HN -0.044 nan 8.380 nan 0.000 0.495 312 T N -1.600 112.892 114.554 -0.104 0.000 2.863 312 T HA 0.642 4.990 4.350 -0.004 0.000 0.285 312 T C -0.355 174.155 174.700 -0.318 0.000 1.009 312 T CA -0.715 61.269 62.100 -0.194 0.000 0.989 312 T CB 1.394 70.183 68.868 -0.132 0.000 1.004 312 T HN -0.055 nan 8.240 nan 0.000 0.455 313 L N 2.471 123.508 121.223 -0.310 0.000 2.325 313 L HA 0.509 4.847 4.340 -0.004 0.000 0.278 313 L C -1.015 175.857 176.870 0.004 0.000 1.023 313 L CA -1.320 53.410 54.840 -0.184 0.000 0.811 313 L CB 1.419 43.431 42.059 -0.078 0.000 1.249 313 L HN 0.678 nan 8.230 nan 0.000 0.431 314 Y N 1.980 122.671 120.300 0.652 0.000 2.385 314 Y HA 0.437 4.985 4.550 -0.003 0.000 0.341 314 Y C -0.164 176.167 175.900 0.718 0.000 0.965 314 Y CA -0.745 57.698 58.100 0.571 0.000 1.180 314 Y CB 0.674 39.438 38.460 0.506 0.000 1.139 314 Y HN 0.213 nan 8.280 nan 0.000 0.502 315 F N 4.594 124.855 119.950 0.518 0.000 2.397 315 F HA 0.571 5.095 4.527 -0.005 0.000 0.331 315 F C -0.220 175.914 175.800 0.556 0.000 1.090 315 F CA -2.149 56.073 58.000 0.370 0.000 1.065 315 F CB 1.144 40.307 39.000 0.271 0.000 1.184 315 F HN 0.355 nan 8.300 nan 0.000 0.499 316 F N 2.619 122.771 119.950 0.337 0.000 2.615 316 F HA 0.695 5.219 4.527 -0.004 0.000 0.312 316 F C -1.947 173.743 175.800 -0.185 0.000 1.119 316 F CA -1.087 57.066 58.000 0.255 0.000 0.979 316 F CB 1.182 40.398 39.000 0.361 0.000 1.266 316 F HN 0.392 nan 8.300 nan 0.000 0.444 317 I N 3.615 124.066 120.570 -0.200 0.000 2.530 317 I HA 0.917 5.085 4.170 -0.004 0.000 0.297 317 I C -1.122 175.144 176.117 0.249 0.000 1.011 317 I CA -0.721 60.352 61.300 -0.378 0.000 1.107 317 I CB 1.680 39.117 38.000 -0.938 0.000 1.285 317 I HN 1.106 nan 8.210 nan 0.000 0.436 318 A N 4.377 127.463 122.820 0.442 0.000 2.593 318 A HA 0.986 5.304 4.320 -0.004 0.000 0.290 318 A C -0.374 177.391 177.584 0.302 0.000 1.126 318 A CA 0.025 52.340 52.037 0.463 0.000 0.695 318 A CB 1.375 20.845 19.000 0.783 0.000 1.290 318 A HN 1.398 nan 8.150 nan 0.000 0.414 319 G N -0.273 108.648 108.800 0.202 0.000 2.298 319 G HA2 0.234 4.192 3.960 -0.004 0.000 0.309 319 G HA3 0.234 4.192 3.960 -0.004 0.000 0.309 319 G C -0.557 174.423 174.900 0.134 0.000 1.279 319 G CA -0.431 44.758 45.100 0.149 0.000 1.042 319 G HN 0.839 nan 8.290 nan 0.000 0.480 320 R N -0.722 119.872 120.500 0.157 0.000 2.679 320 R HA 0.158 4.496 4.340 -0.004 0.000 0.268 320 R C -0.439 175.982 176.300 0.202 0.000 1.044 320 R CA -0.333 55.874 56.100 0.179 0.000 1.105 320 R CB 0.071 30.471 30.300 0.167 0.000 0.989 320 R HN 0.515 nan 8.270 nan 0.000 0.447 321 Y N 3.545 123.888 120.300 0.071 0.000 2.532 321 Y HA 0.063 4.611 4.550 -0.003 0.000 0.337 321 Y C -0.662 175.301 175.900 0.104 0.000 1.274 321 Y CA -0.191 57.961 58.100 0.087 0.000 1.817 321 Y CB -0.136 38.369 38.460 0.074 0.000 1.769 321 Y HN 0.478 nan 8.280 nan 0.000 0.447 322 E N 4.800 125.242 120.200 0.403 0.000 2.376 322 E HA -0.006 4.342 4.350 -0.004 0.000 0.236 322 E C 0.255 177.050 176.600 0.326 0.000 0.962 322 E CA -0.389 56.202 56.400 0.318 0.000 0.768 322 E CB 0.512 30.333 29.700 0.201 0.000 1.236 322 E HN 0.757 nan 8.360 nan 0.000 0.431 323 Y N 3.902 124.388 120.300 0.310 0.000 2.002 323 Y HA -0.418 4.129 4.550 -0.003 0.000 0.268 323 Y C 2.285 178.271 175.900 0.144 0.000 1.177 323 Y CA 2.289 60.522 58.100 0.221 0.000 1.111 323 Y CB 0.185 38.794 38.460 0.248 0.000 0.952 323 Y HN 0.267 nan 8.280 nan 0.000 0.491 324 K N 0.549 121.030 120.400 0.135 0.000 2.001 324 K HA -0.152 4.166 4.320 -0.004 0.000 0.208 324 K C 1.671 178.328 176.600 0.096 0.000 1.048 324 K CA 2.104 58.406 56.287 0.024 0.000 0.932 324 K CB -0.488 32.099 32.500 0.145 0.000 0.715 324 K HN 0.348 nan 8.250 nan 0.000 0.437 325 N N 0.528 119.335 118.700 0.179 0.000 2.188 325 N HA -0.097 4.641 4.740 -0.004 0.000 0.184 325 N C 1.264 176.882 175.510 0.180 0.000 1.018 325 N CA 0.930 54.122 53.050 0.236 0.000 0.858 325 N CB -0.075 38.547 38.487 0.224 0.000 0.989 325 N HN 0.097 nan 8.380 nan 0.000 0.426 326 K N 0.040 120.515 120.400 0.124 0.000 2.439 326 K HA 0.092 4.410 4.320 -0.004 0.000 0.197 326 K C 0.680 177.309 176.600 0.049 0.000 1.041 326 K CA 0.440 56.781 56.287 0.090 0.000 0.970 326 K CB -0.320 32.229 32.500 0.082 0.000 0.773 326 K HN 0.324 nan 8.250 nan 0.000 0.479 327 G N 0.633 109.440 108.800 0.011 0.000 2.204 327 G HA2 -0.289 3.668 3.960 -0.004 0.000 0.244 327 G HA3 -0.289 3.668 3.960 -0.004 0.000 0.244 327 G C 0.945 175.798 174.900 -0.079 0.000 1.062 327 G CA 0.560 45.642 45.100 -0.031 0.000 0.798 327 G HN 0.356 nan 8.290 nan 0.000 0.496 328 A N 0.657 123.374 122.820 -0.171 0.000 1.877 328 A HA 0.052 4.370 4.320 -0.004 0.000 0.216 328 A C 2.318 179.814 177.584 -0.147 0.000 1.186 328 A CA 2.352 54.309 52.037 -0.134 0.000 0.620 328 A CB -0.443 18.474 19.000 -0.139 0.000 0.822 328 A HN 0.972 nan 8.150 nan 0.000 0.443 329 D N 0.149 120.234 120.400 -0.525 0.000 2.137 329 D HA -0.289 4.349 4.640 -0.004 0.000 0.189 329 D C 1.864 178.114 176.300 -0.084 0.000 0.998 329 D CA 2.040 55.844 54.000 -0.327 0.000 0.839 329 D CB -0.904 39.625 40.800 -0.452 0.000 0.962 329 D HN 0.446 nan 8.370 nan 0.000 0.446 330 M N -1.139 118.416 119.600 -0.076 0.000 2.106 330 M HA -0.110 4.368 4.480 -0.004 0.000 0.259 330 M C 2.170 178.492 176.300 0.036 0.000 1.068 330 M CA 1.338 56.631 55.300 -0.013 0.000 1.100 330 M CB -0.319 32.280 32.600 -0.001 0.000 1.351 330 M HN 0.024 nan 8.290 nan 0.000 0.404 331 F N 1.244 121.143 119.950 -0.085 0.000 2.026 331 F HA -0.239 4.285 4.527 -0.004 0.000 0.296 331 F C 1.970 177.748 175.800 -0.036 0.000 1.133 331 F CA 1.801 59.761 58.000 -0.066 0.000 1.188 331 F CB -0.506 38.446 39.000 -0.079 0.000 0.968 331 F HN -0.031 nan 8.300 nan 0.000 0.476 332 I N 0.236 120.798 120.570 -0.013 0.000 2.118 332 I HA -0.324 3.844 4.170 -0.004 0.000 0.241 332 I C 2.432 178.471 176.117 -0.131 0.000 1.070 332 I CA 1.912 63.146 61.300 -0.110 0.000 1.327 332 I CB -0.646 37.361 38.000 0.011 0.000 1.034 332 I HN 0.207 nan 8.210 nan 0.000 0.405 333 E N 1.400 121.560 120.200 -0.067 0.000 2.033 333 E HA -0.263 4.085 4.350 -0.004 0.000 0.199 333 E C 2.136 178.686 176.600 -0.083 0.000 1.011 333 E CA 2.023 58.389 56.400 -0.058 0.000 0.815 333 E CB -0.358 29.325 29.700 -0.029 0.000 0.755 333 E HN 0.420 nan 8.360 nan 0.000 0.451 334 A N -0.151 122.612 122.820 -0.094 0.000 1.978 334 A HA -0.153 4.165 4.320 -0.004 0.000 0.220 334 A C 2.247 179.758 177.584 -0.121 0.000 1.170 334 A CA 1.546 53.530 52.037 -0.089 0.000 0.636 334 A CB -0.665 18.294 19.000 -0.068 0.000 0.810 334 A HN 0.338 nan 8.150 nan 0.000 0.448 335 L N -0.840 120.254 121.223 -0.216 0.000 2.072 335 L HA -0.074 4.264 4.340 -0.004 0.000 0.205 335 L C 3.021 179.816 176.870 -0.124 0.000 1.079 335 L CA 1.367 56.079 54.840 -0.214 0.000 0.752 335 L CB -0.529 41.314 42.059 -0.360 0.000 0.906 335 L HN 0.368 nan 8.230 nan 0.000 0.436 336 A N -0.164 122.590 122.820 -0.109 0.000 1.917 336 A HA -0.281 4.037 4.320 -0.004 0.000 0.219 336 A C 2.418 179.995 177.584 -0.011 0.000 1.182 336 A CA 2.093 54.095 52.037 -0.059 0.000 0.633 336 A CB -0.532 18.435 19.000 -0.055 0.000 0.819 336 A HN 0.342 nan 8.150 nan 0.000 0.448 337 R N -0.973 119.512 120.500 -0.026 0.000 2.090 337 R HA 0.087 4.425 4.340 -0.004 0.000 0.228 337 R C 2.060 178.375 176.300 0.025 0.000 1.110 337 R CA 0.915 57.010 56.100 -0.009 0.000 0.973 337 R CB -0.321 29.948 30.300 -0.051 0.000 0.869 337 R HN 0.486 nan 8.270 nan 0.000 0.440 338 L N 1.306 122.527 121.223 -0.002 0.000 2.362 338 L HA -0.114 4.224 4.340 -0.004 0.000 0.219 338 L C 1.280 178.154 176.870 0.007 0.000 1.134 338 L CA 1.491 56.336 54.840 0.009 0.000 0.807 338 L CB -0.514 41.546 42.059 0.002 0.000 0.927 338 L HN 0.210 nan 8.230 nan 0.000 0.447 339 N N -0.361 118.344 118.700 0.008 0.000 2.132 339 N HA -0.245 4.493 4.740 -0.004 0.000 0.187 339 N C 1.839 177.375 175.510 0.042 0.000 1.038 339 N CA 1.660 54.709 53.050 -0.003 0.000 0.846 339 N CB -0.552 37.927 38.487 -0.013 0.000 1.012 339 N HN 0.320 nan 8.380 nan 0.000 0.429 340 Y N 1.744 122.019 120.300 -0.042 0.000 1.967 340 Y HA -0.338 4.210 4.550 -0.004 0.000 0.260 340 Y C 2.353 178.235 175.900 -0.029 0.000 1.181 340 Y CA 2.408 60.490 58.100 -0.030 0.000 1.097 340 Y CB -0.232 38.212 38.460 -0.026 0.000 0.934 340 Y HN 0.100 nan 8.280 nan 0.000 0.492 341 R N -0.105 120.579 120.500 0.307 0.000 2.154 341 R HA -0.223 4.115 4.340 -0.004 0.000 0.248 341 R C 2.140 178.478 176.300 0.062 0.000 1.155 341 R CA 1.774 57.981 56.100 0.179 0.000 0.979 341 R CB -0.621 29.741 30.300 0.102 0.000 0.869 341 R HN 0.461 nan 8.270 nan 0.000 0.452 342 L N 0.199 121.434 121.223 0.020 0.000 2.446 342 L HA -0.031 4.306 4.340 -0.004 0.000 0.219 342 L C 2.159 178.999 176.870 -0.050 0.000 1.116 342 L CA 0.675 55.501 54.840 -0.023 0.000 0.844 342 L CB -0.024 42.007 42.059 -0.046 0.000 0.970 342 L HN 0.112 nan 8.230 nan 0.000 0.457 343 K N -0.416 119.941 120.400 -0.072 0.000 2.044 343 K HA -0.032 4.286 4.320 -0.004 0.000 0.204 343 K C 2.044 178.579 176.600 -0.109 0.000 1.045 343 K CA 0.776 56.999 56.287 -0.106 0.000 0.951 343 K CB -0.216 32.191 32.500 -0.156 0.000 0.738 343 K HN 0.024 nan 8.250 nan 0.000 0.443 344 V N 2.375 122.208 119.914 -0.134 0.000 2.219 344 V HA -0.272 3.846 4.120 -0.004 0.000 0.248 344 V C 2.382 178.456 176.094 -0.034 0.000 1.053 344 V CA 2.417 64.665 62.300 -0.086 0.000 1.009 344 V CB -0.745 31.062 31.823 -0.027 0.000 0.636 344 V HN 0.484 nan 8.190 nan 0.000 0.445 345 S N 0.784 116.477 115.700 -0.011 0.000 2.641 345 S HA 0.025 4.492 4.470 -0.004 0.000 0.239 345 S C 1.389 175.974 174.600 -0.025 0.000 0.972 345 S CA 0.584 58.778 58.200 -0.010 0.000 0.954 345 S CB -1.246 61.954 63.200 -0.000 0.000 0.767 345 S HN 1.426 nan 8.310 nan 0.000 0.539 346 G N 1.139 109.917 108.800 -0.037 0.000 2.357 346 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.282 346 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.282 346 G C -0.080 174.796 174.900 -0.040 0.000 0.910 346 G CA 0.581 45.656 45.100 -0.042 0.000 1.267 346 G HN 0.821 nan 8.290 nan 0.000 0.476 347 S N -0.621 115.051 115.700 -0.045 0.000 2.610 347 S HA 0.491 4.959 4.470 -0.004 0.000 0.273 347 S C 1.723 176.291 174.600 -0.054 0.000 1.274 347 S CA 0.069 58.240 58.200 -0.048 0.000 1.023 347 S CB 0.619 63.788 63.200 -0.052 0.000 0.962 347 S HN 0.626 nan 8.310 nan 0.000 0.523 348 K N 2.345 122.713 120.400 -0.053 0.000 2.366 348 K HA 0.157 4.475 4.320 -0.004 0.000 0.198 348 K C 0.372 176.934 176.600 -0.064 0.000 1.044 348 K CA 0.661 56.917 56.287 -0.052 0.000 0.973 348 K CB 0.006 32.478 32.500 -0.048 0.000 0.767 348 K HN 0.291 nan 8.250 nan 0.000 0.475 349 K N 0.944 121.294 120.400 -0.083 0.000 2.132 349 K HA 0.300 4.618 4.320 -0.004 0.000 0.241 349 K C -0.661 175.847 176.600 -0.153 0.000 1.000 349 K CA -0.608 55.613 56.287 -0.110 0.000 0.911 349 K CB 1.667 34.095 32.500 -0.119 0.000 1.093 349 K HN -0.141 nan 8.250 nan 0.000 0.460 350 T N 0.365 114.794 114.554 -0.208 0.000 2.921 350 T HA 0.292 4.640 4.350 -0.004 0.000 0.297 350 T C -1.079 173.408 174.700 -0.356 0.000 1.013 350 T CA -0.726 61.177 62.100 -0.328 0.000 0.990 350 T CB 1.584 70.137 68.868 -0.525 0.000 1.023 350 T HN 0.134 nan 8.240 nan 0.000 0.447 351 V N 3.579 123.268 119.914 -0.375 0.000 2.357 351 V HA 0.421 4.539 4.120 -0.004 0.000 0.284 351 V C -0.192 175.723 176.094 -0.300 0.000 1.018 351 V CA -0.645 61.404 62.300 -0.419 0.000 0.841 351 V CB 1.541 32.986 31.823 -0.629 0.000 0.991 351 V HN 0.770 nan 8.190 nan 0.000 0.437 352 V N 4.597 124.430 119.914 -0.134 0.000 2.394 352 V HA 0.778 4.896 4.120 -0.004 0.000 0.282 352 V C 0.404 176.548 176.094 0.082 0.000 1.031 352 V CA -0.402 61.898 62.300 0.001 0.000 0.881 352 V CB 1.483 33.427 31.823 0.202 0.000 0.982 352 V HN 0.931 nan 8.190 nan 0.000 0.451 353 A N 5.301 128.111 122.820 -0.016 0.000 2.319 353 A HA 0.846 5.164 4.320 -0.004 0.000 0.310 353 A C -0.975 176.697 177.584 0.146 0.000 1.152 353 A CA -0.403 51.763 52.037 0.214 0.000 0.783 353 A CB 0.528 19.680 19.000 0.254 0.000 1.184 353 A HN 0.613 nan 8.150 nan 0.000 0.474 354 F N 2.054 122.313 119.950 0.515 0.000 2.404 354 F HA 0.485 5.010 4.527 -0.004 0.000 0.345 354 F C 0.400 176.451 175.800 0.418 0.000 1.110 354 F CA -0.305 57.964 58.000 0.448 0.000 1.130 354 F CB 1.448 40.730 39.000 0.470 0.000 1.129 354 F HN 0.352 nan 8.300 nan 0.000 0.500 355 I N 4.516 125.402 120.570 0.526 0.000 2.337 355 I HA 0.213 4.380 4.170 -0.004 0.000 0.285 355 I C -0.810 175.578 176.117 0.451 0.000 1.041 355 I CA -0.585 60.953 61.300 0.397 0.000 1.199 355 I CB 0.987 39.125 38.000 0.230 0.000 1.370 355 I HN 0.239 nan 8.210 nan 0.000 0.470 356 V N 7.811 127.925 119.914 0.333 0.000 2.258 356 V HA 0.364 4.482 4.120 -0.004 0.000 0.258 356 V C 0.212 176.387 176.094 0.136 0.000 1.121 356 V CA 0.110 62.542 62.300 0.219 0.000 0.942 356 V CB 0.153 32.064 31.823 0.146 0.000 1.170 356 V HN 0.671 nan 8.190 nan 0.000 0.487 357 M N 6.572 126.234 119.600 0.104 0.000 2.224 357 M HA 0.421 4.899 4.480 -0.004 0.000 0.281 357 M C -2.923 173.316 176.300 -0.103 0.000 1.025 357 M CA -1.660 53.624 55.300 -0.027 0.000 0.954 357 M CB 3.567 36.111 32.600 -0.093 0.000 1.639 357 M HN 0.206 nan 8.290 nan 0.000 0.461 358 P HA 0.331 nan 4.420 nan 0.000 0.271 358 P C -1.273 176.027 177.300 0.000 0.000 1.226 358 P CA -0.092 62.783 63.100 -0.375 0.000 0.765 358 P CB 0.727 32.035 31.700 -0.653 0.000 0.835 359 A N 3.236 126.030 122.820 -0.044 0.000 2.485 359 A HA 0.563 4.880 4.320 -0.004 0.000 0.292 359 A C -0.489 177.056 177.584 -0.065 0.000 1.147 359 A CA -0.848 51.243 52.037 0.089 0.000 0.750 359 A CB 1.098 20.265 19.000 0.277 0.000 1.331 359 A HN 0.263 nan 8.150 nan 0.000 0.419 360 K N 1.564 121.941 120.400 -0.038 0.000 2.419 360 K HA 0.102 4.420 4.320 -0.004 0.000 0.282 360 K C -0.389 176.163 176.600 -0.081 0.000 1.056 360 K CA 0.524 56.775 56.287 -0.061 0.000 1.035 360 K CB -0.276 32.200 32.500 -0.039 0.000 0.921 360 K HN 0.859 nan 8.250 nan 0.000 0.472 361 N N 0.613 119.241 118.700 -0.120 0.000 2.647 361 N HA 0.256 4.994 4.740 -0.004 0.000 0.266 361 N C -0.837 174.617 175.510 -0.094 0.000 1.373 361 N CA -0.915 52.057 53.050 -0.129 0.000 0.807 361 N CB 0.976 39.302 38.487 -0.267 0.000 1.513 361 N HN 0.078 nan 8.380 nan 0.000 0.505 362 N N 0.852 119.517 118.700 -0.058 0.000 3.040 362 N HA 0.197 4.935 4.740 -0.004 0.000 0.305 362 N C -0.716 174.766 175.510 -0.045 0.000 1.611 362 N CA 0.117 53.141 53.050 -0.042 0.000 1.049 362 N CB 0.192 38.669 38.487 -0.016 0.000 1.342 362 N HN 0.702 nan 8.380 nan 0.000 0.497 363 S N -0.046 115.600 115.700 -0.090 0.000 2.962 363 S HA -0.274 4.194 4.470 -0.004 0.000 0.632 363 S C -0.114 174.354 174.600 -0.220 0.000 3.058 363 S CA 0.446 58.524 58.200 -0.203 0.000 3.371 363 S CB -0.669 62.435 63.200 -0.161 0.000 0.324 363 S HN 0.314 nan 8.310 nan 0.000 1.722 364 F N 1.898 121.807 119.950 -0.068 0.000 2.382 364 F HA 0.405 4.930 4.527 -0.003 0.000 0.331 364 F C 1.348 177.092 175.800 -0.094 0.000 1.121 364 F CA 0.295 58.158 58.000 -0.228 0.000 1.183 364 F CB 0.423 39.304 39.000 -0.199 0.000 1.207 364 F HN 0.592 nan 8.300 nan 0.000 0.555 365 T N -0.884 113.743 114.554 0.122 0.000 2.901 365 T HA 0.174 4.522 4.350 -0.004 0.000 0.301 365 T C 1.040 175.795 174.700 0.091 0.000 1.012 365 T CA -0.811 61.344 62.100 0.092 0.000 1.135 365 T CB 1.222 70.144 68.868 0.089 0.000 0.936 365 T HN 0.431 nan 8.240 nan 0.000 0.539 366 V N 2.288 122.241 119.914 0.066 0.000 2.324 366 V HA -0.179 3.939 4.120 -0.004 0.000 0.250 366 V C 2.766 178.886 176.094 0.043 0.000 1.060 366 V CA 2.517 64.846 62.300 0.050 0.000 1.042 366 V CB -0.824 31.020 31.823 0.036 0.000 0.650 366 V HN 1.120 nan 8.190 nan 0.000 0.450 367 E N -0.148 120.080 120.200 0.047 0.000 2.033 367 E HA -0.282 4.066 4.350 -0.004 0.000 0.199 367 E C 2.210 178.846 176.600 0.061 0.000 1.011 367 E CA 1.762 58.190 56.400 0.047 0.000 0.815 367 E CB -0.373 29.347 29.700 0.034 0.000 0.755 367 E HN 0.588 nan 8.360 nan 0.000 0.451 368 A N 0.487 123.359 122.820 0.086 0.000 1.978 368 A HA -0.162 4.156 4.320 -0.004 0.000 0.220 368 A C 2.179 179.808 177.584 0.075 0.000 1.170 368 A CA 1.255 53.374 52.037 0.136 0.000 0.636 368 A CB -0.522 18.605 19.000 0.212 0.000 0.810 368 A HN 0.337 nan 8.150 nan 0.000 0.448 369 L N -1.150 120.089 121.223 0.026 0.000 2.162 369 L HA -0.085 4.253 4.340 -0.004 0.000 0.205 369 L C 2.557 179.406 176.870 -0.035 0.000 1.086 369 L CA 1.477 56.298 54.840 -0.031 0.000 0.778 369 L CB -0.323 41.724 42.059 -0.020 0.000 0.928 369 L HN 0.445 nan 8.230 nan 0.000 0.446 370 K N 0.454 120.838 120.400 -0.027 0.000 2.032 370 K HA -0.172 4.146 4.320 -0.004 0.000 0.209 370 K C 2.010 178.526 176.600 -0.139 0.000 1.048 370 K CA 1.522 57.768 56.287 -0.069 0.000 0.927 370 K CB -0.435 32.032 32.500 -0.055 0.000 0.712 370 K HN 0.292 nan 8.250 nan 0.000 0.441 371 G N 1.320 110.057 108.800 -0.106 0.000 2.719 371 G HA2 -0.349 3.609 3.960 -0.004 0.000 0.219 371 G HA3 -0.349 3.609 3.960 -0.004 0.000 0.219 371 G C 1.384 176.215 174.900 -0.115 0.000 1.234 371 G CA 1.176 46.198 45.100 -0.129 0.000 0.788 371 G HN 0.395 nan 8.290 nan 0.000 0.619 372 Q N 0.488 120.266 119.800 -0.037 0.000 2.124 372 Q HA -0.026 4.312 4.340 -0.004 0.000 0.202 372 Q C 2.956 178.921 176.000 -0.059 0.000 0.977 372 Q CA 1.472 57.257 55.803 -0.030 0.000 0.850 372 Q CB -0.845 27.890 28.738 -0.006 0.000 0.901 372 Q HN 0.503 nan 8.270 nan 0.000 0.429 373 A N 1.759 124.535 122.820 -0.073 0.000 1.858 373 A HA -0.196 4.122 4.320 -0.004 0.000 0.216 373 A C 2.058 179.595 177.584 -0.078 0.000 1.190 373 A CA 1.437 53.433 52.037 -0.068 0.000 0.617 373 A CB -0.288 18.674 19.000 -0.064 0.000 0.827 373 A HN 0.242 nan 8.150 nan 0.000 0.443 374 E N -0.233 119.895 120.200 -0.120 0.000 2.072 374 E HA -0.094 4.254 4.350 -0.004 0.000 0.191 374 E C 2.114 178.657 176.600 -0.095 0.000 0.985 374 E CA 1.208 57.535 56.400 -0.122 0.000 0.801 374 E CB -0.580 29.002 29.700 -0.196 0.000 0.750 374 E HN 0.370 nan 8.360 nan 0.000 0.452 375 V N 1.166 121.019 119.914 -0.102 0.000 2.626 375 V HA -0.204 3.913 4.120 -0.004 0.000 0.252 375 V C 2.389 178.460 176.094 -0.037 0.000 1.067 375 V CA 1.447 63.711 62.300 -0.060 0.000 1.081 375 V CB -0.400 31.390 31.823 -0.055 0.000 0.686 375 V HN 0.065 nan 8.190 nan 0.000 0.468 376 R N 0.118 120.594 120.500 -0.040 0.000 2.093 376 R HA 0.089 4.427 4.340 -0.004 0.000 0.224 376 R C 2.259 178.545 176.300 -0.022 0.000 1.101 376 R CA 1.309 57.392 56.100 -0.028 0.000 0.979 376 R CB -0.583 29.699 30.300 -0.030 0.000 0.877 376 R HN 0.463 nan 8.270 nan 0.000 0.441 377 A N 0.552 123.355 122.820 -0.027 0.000 1.969 377 A HA -0.113 4.205 4.320 -0.004 0.000 0.218 377 A C 2.053 179.632 177.584 -0.008 0.000 1.169 377 A CA 0.944 52.971 52.037 -0.018 0.000 0.635 377 A CB -0.576 18.409 19.000 -0.025 0.000 0.810 377 A HN 0.357 nan 8.150 nan 0.000 0.445 378 L N -0.505 120.712 121.223 -0.011 0.000 1.994 378 L HA -0.227 4.111 4.340 -0.004 0.000 0.208 378 L C 2.571 179.451 176.870 0.017 0.000 1.071 378 L CA 2.164 57.005 54.840 0.002 0.000 0.745 378 L CB -0.517 41.542 42.059 0.000 0.000 0.892 378 L HN 0.520 nan 8.230 nan 0.000 0.431 379 E N -0.201 120.007 120.200 0.013 0.000 2.065 379 E HA -0.271 4.076 4.350 -0.004 0.000 0.201 379 E C 1.841 178.469 176.600 0.046 0.000 1.016 379 E CA 1.749 58.163 56.400 0.025 0.000 0.818 379 E CB -0.098 29.606 29.700 0.006 0.000 0.749 379 E HN 0.536 nan 8.360 nan 0.000 0.453 380 N N 0.141 118.858 118.700 0.029 0.000 2.007 380 N HA -0.148 4.589 4.740 -0.004 0.000 0.197 380 N C 1.964 177.526 175.510 0.086 0.000 1.050 380 N CA 1.788 54.868 53.050 0.052 0.000 0.856 380 N CB -1.067 37.434 38.487 0.023 0.000 1.050 380 N HN 0.080 nan 8.380 nan 0.000 0.423 381 T N 1.586 116.169 114.554 0.049 0.000 2.653 381 T HA -0.118 4.230 4.350 -0.004 0.000 0.268 381 T C 2.135 176.861 174.700 0.044 0.000 1.035 381 T CA 1.251 63.375 62.100 0.040 0.000 1.154 381 T CB -0.525 68.355 68.868 0.021 0.000 0.862 381 T HN -0.021 nan 8.240 nan 0.000 0.441 382 V N 0.797 120.741 119.914 0.050 0.000 2.252 382 V HA -0.271 3.847 4.120 -0.004 0.000 0.249 382 V C 2.205 178.334 176.094 0.058 0.000 1.056 382 V CA 2.493 64.821 62.300 0.047 0.000 1.022 382 V CB -0.723 31.130 31.823 0.051 0.000 0.641 382 V HN 0.618 nan 8.190 nan 0.000 0.445 383 H N 0.389 119.460 119.070 0.002 0.000 2.265 383 H HA -0.226 4.327 4.556 -0.004 0.000 0.295 383 H C 2.278 177.606 175.328 0.000 0.000 1.084 383 H CA 2.548 58.597 56.048 0.001 0.000 1.261 383 H CB -0.194 29.568 29.762 -0.000 0.000 1.360 383 H HN 0.546 nan 8.280 nan 0.000 0.487 384 E N -0.485 119.724 120.200 0.015 0.000 2.065 384 E HA -0.215 4.133 4.350 -0.004 0.000 0.201 384 E C 2.465 179.013 176.600 -0.086 0.000 1.016 384 E CA 1.713 58.088 56.400 -0.041 0.000 0.818 384 E CB -0.206 29.511 29.700 0.029 0.000 0.749 384 E HN 0.303 nan 8.360 nan 0.000 0.453 385 V N 1.326 121.213 119.914 -0.046 0.000 2.255 385 V HA -0.303 3.815 4.120 -0.004 0.000 0.247 385 V C 2.748 178.804 176.094 -0.062 0.000 1.051 385 V CA 2.315 64.592 62.300 -0.039 0.000 1.018 385 V CB -1.062 30.752 31.823 -0.016 0.000 0.641 385 V HN 0.563 nan 8.190 nan 0.000 0.445 386 T N -1.293 113.211 114.554 -0.082 0.000 2.746 386 T HA -0.240 4.108 4.350 -0.004 0.000 0.267 386 T C 1.899 176.527 174.700 -0.119 0.000 1.039 386 T CA 2.141 64.191 62.100 -0.084 0.000 1.142 386 T CB -0.994 67.832 68.868 -0.070 0.000 0.866 386 T HN 0.637 nan 8.240 nan 0.000 0.444 387 T N -0.493 113.931 114.554 -0.217 0.000 2.915 387 T HA 0.003 4.351 4.350 -0.004 0.000 0.269 387 T C 2.265 176.901 174.700 -0.106 0.000 1.071 387 T CA 1.284 63.266 62.100 -0.196 0.000 1.132 387 T CB -0.808 67.878 68.868 -0.302 0.000 0.878 387 T HN 0.340 nan 8.240 nan 0.000 0.479 388 S N 1.124 116.773 115.700 -0.085 0.000 2.355 388 S HA 0.092 4.560 4.470 -0.004 0.000 0.222 388 S C 1.901 176.488 174.600 -0.020 0.000 1.031 388 S CA 1.149 59.324 58.200 -0.042 0.000 0.993 388 S CB -0.472 62.709 63.200 -0.031 0.000 0.859 388 S HN 0.549 nan 8.310 nan 0.000 0.453 389 I N 1.300 121.856 120.570 -0.024 0.000 2.151 389 I HA -0.204 3.964 4.170 -0.004 0.000 0.243 389 I C 2.668 178.793 176.117 0.013 0.000 1.080 389 I CA 1.218 62.514 61.300 -0.006 0.000 1.339 389 I CB -1.097 36.897 38.000 -0.011 0.000 1.039 389 I HN 0.374 nan 8.210 nan 0.000 0.409 390 G N 1.086 109.885 108.800 -0.003 0.000 2.586 390 G HA2 -0.300 3.658 3.960 -0.004 0.000 0.218 390 G HA3 -0.300 3.658 3.960 -0.004 0.000 0.218 390 G C 1.708 176.643 174.900 0.058 0.000 1.216 390 G CA 0.955 46.066 45.100 0.018 0.000 0.786 390 G HN 0.308 nan 8.290 nan 0.000 0.583 391 K N -0.018 120.396 120.400 0.022 0.000 2.044 391 K HA -0.100 4.218 4.320 -0.004 0.000 0.210 391 K C 2.772 179.450 176.600 0.130 0.000 1.049 391 K CA 1.201 57.520 56.287 0.054 0.000 0.927 391 K CB -0.218 32.289 32.500 0.011 0.000 0.713 391 K HN 0.215 nan 8.250 nan 0.000 0.443 392 R N 0.518 121.070 120.500 0.087 0.000 2.081 392 R HA -0.053 4.285 4.340 -0.004 0.000 0.235 392 R C 2.425 178.800 176.300 0.125 0.000 1.131 392 R CA 1.172 57.326 56.100 0.090 0.000 0.960 392 R CB -0.312 30.014 30.300 0.042 0.000 0.856 392 R HN 0.209 nan 8.270 nan 0.000 0.436 393 I N -0.049 120.592 120.570 0.120 0.000 2.179 393 I HA -0.301 3.867 4.170 -0.004 0.000 0.242 393 I C 2.242 178.476 176.117 0.195 0.000 1.088 393 I CA 1.301 62.682 61.300 0.135 0.000 1.357 393 I CB -0.314 37.748 38.000 0.103 0.000 1.051 393 I HN 0.090 nan 8.210 nan 0.000 0.409 394 F N 1.882 121.865 119.950 0.054 0.000 2.046 394 F HA -0.332 4.192 4.527 -0.004 0.000 0.297 394 F C 2.419 178.253 175.800 0.056 0.000 1.123 394 F CA 2.124 60.150 58.000 0.043 0.000 1.199 394 F CB -0.439 38.575 39.000 0.024 0.000 0.972 394 F HN 0.108 nan 8.300 nan 0.000 0.474 395 D N -0.790 119.816 120.400 0.345 0.000 2.190 395 D HA -0.293 4.345 4.640 -0.004 0.000 0.200 395 D C 2.177 178.523 176.300 0.076 0.000 0.992 395 D CA 1.554 55.675 54.000 0.201 0.000 0.854 395 D CB -0.514 40.416 40.800 0.216 0.000 0.936 395 D HN 0.594 nan 8.370 nan 0.000 0.462 396 H N 0.099 119.176 119.070 0.012 0.000 2.333 396 H HA -0.034 4.520 4.556 -0.004 0.000 0.302 396 H C 1.878 177.202 175.328 -0.006 0.000 1.075 396 H CA 1.589 57.647 56.048 0.017 0.000 1.348 396 H CB 0.121 29.903 29.762 0.034 0.000 1.393 396 H HN 0.133 nan 8.280 nan 0.000 0.509 397 A N 1.278 123.977 122.820 -0.202 0.000 1.902 397 A HA -0.140 4.178 4.320 -0.004 0.000 0.217 397 A C 2.427 179.828 177.584 -0.305 0.000 1.181 397 A CA 1.420 53.271 52.037 -0.310 0.000 0.623 397 A CB -0.784 18.061 19.000 -0.258 0.000 0.818 397 A HN 0.441 nan 8.150 nan 0.000 0.443 398 I N -0.854 119.457 120.570 -0.432 0.000 2.454 398 I HA -0.135 4.033 4.170 -0.004 0.000 0.254 398 I C 2.182 178.200 176.117 -0.164 0.000 1.156 398 I CA 1.341 62.418 61.300 -0.372 0.000 1.433 398 I CB -0.260 37.430 38.000 -0.517 0.000 1.082 398 I HN 0.196 nan 8.210 nan 0.000 0.432 399 R N -1.388 119.035 120.500 -0.127 0.000 2.246 399 R HA 0.015 4.353 4.340 -0.004 0.000 0.199 399 R C 0.160 176.421 176.300 -0.065 0.000 0.984 399 R CA -0.024 56.033 56.100 -0.071 0.000 1.015 399 R CB -0.309 29.964 30.300 -0.045 0.000 0.930 399 R HN 0.285 nan 8.270 nan 0.000 0.475 400 Y N 1.658 121.823 120.300 -0.225 0.000 2.620 400 Y HA 0.069 4.617 4.550 -0.003 0.000 0.330 400 Y C -1.523 174.300 175.900 -0.128 0.000 1.186 400 Y CA -1.904 56.071 58.100 -0.209 0.000 1.467 400 Y CB 0.249 38.554 38.460 -0.258 0.000 1.262 400 Y HN 0.111 nan 8.280 nan 0.000 0.550 416 L N 3.869 125.081 121.223 -0.019 0.000 2.529 416 L HA 0.327 4.664 4.340 -0.004 0.000 0.223 416 L C 0.351 177.213 176.870 -0.013 0.000 1.113 416 L CA 0.234 55.062 54.840 -0.020 0.000 0.861 416 L CB 0.409 42.458 42.059 -0.018 0.000 1.012 416 L HN 0.498 nan 8.230 nan 0.000 0.461 417 L N 2.244 123.461 121.223 -0.011 0.000 2.295 417 L HA 0.154 4.492 4.340 -0.004 0.000 0.288 417 L C 0.378 177.244 176.870 -0.007 0.000 1.079 417 L CA -0.252 54.583 54.840 -0.008 0.000 0.830 417 L CB 0.663 42.718 42.059 -0.006 0.000 1.200 417 L HN 0.164 nan 8.230 nan 0.000 0.438 418 K N 1.128 121.525 120.400 -0.006 0.000 2.187 418 K HA 0.133 4.451 4.320 -0.004 0.000 0.247 418 K C 1.171 177.769 176.600 -0.004 0.000 1.019 418 K CA -0.076 56.208 56.287 -0.005 0.000 0.893 418 K CB 0.388 32.886 32.500 -0.003 0.000 1.025 418 K HN 0.539 nan 8.250 nan 0.000 0.500 419 S N 0.498 116.196 115.700 -0.003 0.000 2.368 419 S HA -0.314 4.154 4.470 -0.004 0.000 0.226 419 S C 2.222 176.822 174.600 -0.001 0.000 1.044 419 S CA 1.706 59.904 58.200 -0.002 0.000 1.062 419 S CB -0.877 62.322 63.200 -0.001 0.000 0.931 419 S HN 0.786 nan 8.310 nan 0.000 0.440 420 S N 2.315 118.015 115.700 -0.001 0.000 2.390 420 S HA -0.297 4.171 4.470 -0.004 0.000 0.234 420 S C 1.618 176.218 174.600 -0.001 0.000 1.063 420 S CA 2.064 60.264 58.200 -0.001 0.000 1.108 420 S CB -0.975 62.225 63.200 -0.000 0.000 0.975 420 S HN 0.601 nan 8.310 nan 0.000 0.442 421 D N 0.476 120.875 120.400 -0.002 0.000 2.162 421 D HA 0.012 4.649 4.640 -0.004 0.000 0.203 421 D C 2.136 178.436 176.300 -0.001 0.000 0.967 421 D CA 0.822 54.821 54.000 -0.002 0.000 0.840 421 D CB -0.314 40.483 40.800 -0.004 0.000 0.972 421 D HN 0.505 nan 8.370 nan 0.000 0.482 422 K N 0.674 121.073 120.400 -0.001 0.000 2.074 422 K HA -0.115 4.203 4.320 -0.004 0.000 0.209 422 K C 2.176 178.777 176.600 0.001 0.000 1.048 422 K CA 0.659 56.946 56.287 -0.000 0.000 0.926 422 K CB -0.124 32.376 32.500 -0.001 0.000 0.713 422 K HN -0.031 nan 8.250 nan 0.000 0.444 423 V N 2.327 122.241 119.914 0.001 0.000 2.220 423 V HA -0.309 3.809 4.120 -0.004 0.000 0.246 423 V C 2.343 178.438 176.094 0.001 0.000 1.049 423 V CA 2.289 64.589 62.300 0.001 0.000 1.003 423 V CB -0.465 31.358 31.823 0.000 0.000 0.634 423 V HN 0.472 nan 8.190 nan 0.000 0.444 424 M N -1.401 118.200 119.600 0.001 0.000 2.374 424 M HA -0.086 4.392 4.480 -0.004 0.000 0.264 424 M C 2.043 178.345 176.300 0.003 0.000 1.067 424 M CA 1.865 57.166 55.300 0.002 0.000 1.103 424 M CB -0.589 32.012 32.600 0.003 0.000 1.402 424 M HN 0.195 nan 8.290 nan 0.000 0.444 425 L N 0.567 121.792 121.223 0.004 0.000 2.072 425 L HA -0.075 4.263 4.340 -0.004 0.000 0.205 425 L C 2.765 179.638 176.870 0.005 0.000 1.079 425 L CA 1.355 56.198 54.840 0.005 0.000 0.752 425 L CB -0.346 41.716 42.059 0.005 0.000 0.906 425 L HN 0.383 nan 8.230 nan 0.000 0.436 426 K N -0.100 120.303 120.400 0.004 0.000 2.148 426 K HA -0.220 4.098 4.320 -0.004 0.000 0.204 426 K C 2.234 178.836 176.600 0.003 0.000 1.050 426 K CA 1.096 57.385 56.287 0.004 0.000 0.942 426 K CB 0.062 32.564 32.500 0.003 0.000 0.724 426 K HN 0.113 nan 8.250 nan 0.000 0.446 427 R N 0.345 120.845 120.500 0.001 0.000 2.115 427 R HA -0.033 4.305 4.340 -0.004 0.000 0.230 427 R C 1.886 178.184 176.300 -0.003 0.000 1.111 427 R CA 1.009 57.108 56.100 -0.001 0.000 0.976 427 R CB 0.137 30.436 30.300 -0.002 0.000 0.870 427 R HN 0.023 nan 8.270 nan 0.000 0.445 428 R N 0.217 120.715 120.500 -0.002 0.000 2.193 428 R HA 0.038 4.376 4.340 -0.004 0.000 0.213 428 R C 2.106 178.403 176.300 -0.004 0.000 1.055 428 R CA 0.786 56.883 56.100 -0.007 0.000 0.995 428 R CB -0.077 30.221 30.300 -0.003 0.000 0.893 428 R HN 0.373 nan 8.270 nan 0.000 0.459 429 I N 0.577 121.150 120.570 0.004 0.000 2.406 429 I HA -0.177 3.991 4.170 -0.004 0.000 0.249 429 I C 2.179 178.304 176.117 0.014 0.000 1.122 429 I CA 0.855 62.162 61.300 0.012 0.000 1.431 429 I CB -0.177 37.832 38.000 0.015 0.000 1.087 429 I HN 0.045 nan 8.210 nan 0.000 0.424 430 L N 0.785 122.013 121.223 0.008 0.000 2.201 430 L HA -0.117 4.221 4.340 -0.004 0.000 0.212 430 L C 2.639 179.513 176.870 0.007 0.000 1.105 430 L CA 0.871 55.717 54.840 0.010 0.000 0.775 430 L CB -0.468 41.595 42.059 0.006 0.000 0.913 430 L HN 0.220 nan 8.230 nan 0.000 0.440 431 A N -0.458 122.358 122.820 -0.006 0.000 2.209 431 A HA -0.017 4.301 4.320 -0.004 0.000 0.212 431 A C 2.080 179.643 177.584 -0.035 0.000 1.158 431 A CA 0.746 52.768 52.037 -0.025 0.000 0.742 431 A CB -0.325 18.650 19.000 -0.042 0.000 0.790 431 A HN 0.403 nan 8.150 nan 0.000 0.472 432 L N -1.164 120.060 121.223 0.002 0.000 2.375 432 L HA 0.089 4.427 4.340 -0.004 0.000 0.215 432 L C 1.440 178.409 176.870 0.166 0.000 1.108 432 L CA -0.154 54.724 54.840 0.063 0.000 0.830 432 L CB -0.271 41.836 42.059 0.080 0.000 0.959 432 L HN 0.355 nan 8.230 nan 0.000 0.457 433 R N 2.562 123.115 120.500 0.088 0.000 2.523 433 R HA -0.043 4.295 4.340 -0.004 0.000 0.281 433 R C -0.031 176.327 176.300 0.096 0.000 0.969 433 R CA 0.212 56.358 56.100 0.076 0.000 1.093 433 R CB 0.367 30.692 30.300 0.042 0.000 0.917 433 R HN 0.254 nan 8.270 nan 0.000 0.408 434 R N 4.657 125.199 120.500 0.071 0.000 2.514 434 R HA 0.448 4.785 4.340 -0.004 0.000 0.301 434 R C -2.523 173.786 176.300 0.014 0.000 0.962 434 R CA -2.198 53.931 56.100 0.048 0.000 0.882 434 R CB 0.918 31.206 30.300 -0.021 0.000 1.143 434 R HN 0.391 nan 8.270 nan 0.000 0.452 435 P HA -0.177 nan 4.420 nan 0.000 0.255 435 P C -0.605 176.691 177.300 -0.006 0.000 1.141 435 P CA 0.679 63.781 63.100 0.003 0.000 0.767 435 P CB 0.271 31.971 31.700 -0.000 0.000 0.726 436 E N 2.079 122.277 120.200 -0.003 0.000 2.708 436 E HA 0.041 4.389 4.350 -0.004 0.000 0.260 436 E C 1.513 178.106 176.600 -0.012 0.000 0.937 436 E CA 1.422 57.819 56.400 -0.005 0.000 0.953 436 E CB -0.256 29.442 29.700 -0.003 0.000 0.915 436 E HN 0.764 nan 8.360 nan 0.000 0.487 437 G N 3.078 111.870 108.800 -0.013 0.000 2.189 437 G HA2 -0.403 3.555 3.960 -0.004 0.000 0.267 437 G HA3 -0.403 3.555 3.960 -0.004 0.000 0.267 437 G C 0.228 175.110 174.900 -0.030 0.000 0.975 437 G CA 0.691 45.780 45.100 -0.018 0.000 0.644 437 G HN 0.609 nan 8.290 nan 0.000 0.537 438 Q N 0.584 120.364 119.800 -0.034 0.000 2.295 438 Q HA 0.598 4.936 4.340 -0.004 0.000 0.259 438 Q C 0.384 176.347 176.000 -0.062 0.000 0.976 438 Q CA -0.572 55.201 55.803 -0.049 0.000 0.923 438 Q CB 0.339 29.049 28.738 -0.047 0.000 1.185 438 Q HN 0.480 nan 8.270 nan 0.000 0.410 439 L N 5.265 126.451 121.223 -0.061 0.000 2.416 439 L HA 0.505 4.842 4.340 -0.004 0.000 0.262 439 L C -1.998 174.791 176.870 -0.134 0.000 1.093 439 L CA -2.619 52.186 54.840 -0.058 0.000 0.801 439 L CB 0.782 42.841 42.059 0.001 0.000 1.191 439 L HN 0.633 nan 8.230 nan 0.000 0.459 440 P HA 0.092 nan 4.420 nan 0.000 0.263 440 P C -2.436 174.725 177.300 -0.232 0.000 1.195 440 P CA -0.682 62.153 63.100 -0.443 0.000 0.762 440 P CB -0.055 31.187 31.700 -0.763 0.000 0.799 441 P HA 0.016 nan 4.420 nan 0.000 0.269 441 P C 0.832 178.251 177.300 0.198 0.000 1.217 441 P CA 0.221 63.350 63.100 0.048 0.000 0.783 441 P CB 0.237 31.991 31.700 0.091 0.000 0.898 442 I N -1.273 119.433 120.570 0.225 0.000 3.883 442 I HA 0.270 4.438 4.170 -0.004 0.000 0.326 442 I C 0.227 176.523 176.117 0.298 0.000 1.283 442 I CA 0.235 61.686 61.300 0.252 0.000 1.161 442 I CB 0.287 38.429 38.000 0.237 0.000 1.012 442 I HN -0.031 nan 8.210 nan 0.000 0.421 443 V N 1.320 121.401 119.914 0.279 0.000 2.841 443 V HA 0.294 4.412 4.120 -0.004 0.000 0.310 443 V C 1.107 177.338 176.094 0.228 0.000 1.090 443 V CA 0.121 62.570 62.300 0.248 0.000 0.930 443 V CB 2.371 34.327 31.823 0.221 0.000 1.014 443 V HN 0.396 nan 8.190 nan 0.000 0.425 444 T N 1.256 115.931 114.554 0.201 0.000 3.065 444 T HA 0.287 4.635 4.350 -0.004 0.000 0.252 444 T C 0.456 175.166 174.700 0.016 0.000 1.099 444 T CA 0.617 62.839 62.100 0.203 0.000 1.063 444 T CB -0.249 68.795 68.868 0.294 0.000 0.948 444 T HN 0.707 nan 8.240 nan 0.000 0.506 445 H N 0.540 119.612 119.070 0.004 0.000 2.797 445 H HA 0.543 5.096 4.556 -0.004 0.000 0.362 445 H C -0.437 174.866 175.328 -0.042 0.000 1.183 445 H CA -1.077 54.926 56.048 -0.076 0.000 1.197 445 H CB 0.828 30.425 29.762 -0.275 0.000 1.835 445 H HN -0.029 nan 8.280 nan 0.000 0.567 446 N N 2.008 120.757 118.700 0.082 0.000 2.415 446 N HA 0.050 4.788 4.740 -0.004 0.000 0.250 446 N C -0.634 174.892 175.510 0.026 0.000 1.127 446 N CA -0.089 52.989 53.050 0.047 0.000 0.945 446 N CB 0.320 38.824 38.487 0.028 0.000 1.196 446 N HN 0.342 nan 8.380 nan 0.000 0.499 447 M N 1.722 121.344 119.600 0.037 0.000 2.188 447 M HA 0.098 4.576 4.480 -0.004 0.000 0.354 447 M C 0.376 176.692 176.300 0.026 0.000 1.342 447 M CA -0.397 54.922 55.300 0.031 0.000 1.117 447 M CB 0.590 33.236 32.600 0.076 0.000 1.670 447 M HN 0.053 nan 8.290 nan 0.000 0.466 448 V N 3.754 123.674 119.914 0.010 0.000 2.135 448 V HA 0.144 4.262 4.120 -0.004 0.000 0.287 448 V C 0.120 176.223 176.094 0.014 0.000 1.607 448 V CA 0.275 62.579 62.300 0.006 0.000 1.585 448 V CB -1.270 30.547 31.823 -0.010 0.000 1.470 448 V HN 0.963 nan 8.190 nan 0.000 0.513 449 D N 0.346 120.762 120.400 0.028 0.000 4.346 449 D HA -0.118 4.520 4.640 -0.004 0.000 0.101 449 D C 0.853 177.183 176.300 0.049 0.000 0.504 449 D CA 0.008 54.026 54.000 0.030 0.000 0.899 449 D CB -0.918 39.893 40.800 0.020 0.000 1.532 449 D HN 0.334 nan 8.370 nan 0.000 0.355 450 D N -0.141 120.293 120.400 0.056 0.000 2.265 450 D HA -0.124 4.514 4.640 -0.004 0.000 0.208 450 D C 1.595 177.938 176.300 0.072 0.000 0.977 450 D CA 1.280 55.326 54.000 0.077 0.000 0.871 450 D CB 0.396 41.239 40.800 0.072 0.000 0.925 450 D HN 0.462 nan 8.370 nan 0.000 0.485 451 A N 0.077 122.928 122.820 0.052 0.000 2.044 451 A HA -0.004 4.314 4.320 -0.004 0.000 0.213 451 A C 1.743 179.347 177.584 0.033 0.000 1.169 451 A CA 0.425 52.488 52.037 0.044 0.000 0.724 451 A CB 0.204 19.224 19.000 0.033 0.000 0.840 451 A HN 0.082 nan 8.150 nan 0.000 0.463 452 N N 0.009 118.725 118.700 0.027 0.000 2.250 452 N HA 0.073 4.811 4.740 -0.004 0.000 0.190 452 N C -0.364 175.144 175.510 -0.003 0.000 1.116 452 N CA 0.021 53.074 53.050 0.006 0.000 0.881 452 N CB -0.023 38.463 38.487 -0.002 0.000 1.006 452 N HN 0.568 nan 8.380 nan 0.000 0.491 453 D N 0.442 120.862 120.400 0.035 0.000 2.458 453 D HA 0.016 4.654 4.640 -0.004 0.000 0.243 453 D C 1.406 177.715 176.300 0.015 0.000 1.146 453 D CA 0.042 54.083 54.000 0.068 0.000 0.877 453 D CB 0.825 41.730 40.800 0.175 0.000 1.176 453 D HN -0.017 nan 8.370 nan 0.000 0.461 454 L N 4.116 125.314 121.223 -0.041 0.000 2.056 454 L HA -0.148 4.190 4.340 -0.004 0.000 0.207 454 L C 2.045 178.758 176.870 -0.262 0.000 1.078 454 L CA 0.520 55.168 54.840 -0.321 0.000 0.749 454 L CB -0.400 41.279 42.059 -0.635 0.000 0.901 454 L HN 0.676 nan 8.230 nan 0.000 0.433 455 I N -0.233 120.306 120.570 -0.051 0.000 2.233 455 I HA -0.251 3.916 4.170 -0.004 0.000 0.243 455 I C 2.528 178.577 176.117 -0.113 0.000 1.093 455 I CA 1.470 62.682 61.300 -0.145 0.000 1.380 455 I CB -0.597 37.020 38.000 -0.639 0.000 1.067 455 I HN 0.262 nan 8.210 nan 0.000 0.413 456 L N 0.784 122.007 121.223 -0.002 0.000 2.017 456 L HA -0.238 4.100 4.340 -0.004 0.000 0.208 456 L C 2.372 179.274 176.870 0.054 0.000 1.073 456 L CA 1.437 56.330 54.840 0.087 0.000 0.745 456 L CB -0.728 41.438 42.059 0.178 0.000 0.894 456 L HN 0.288 nan 8.230 nan 0.000 0.432 457 N N -0.295 118.423 118.700 0.030 0.000 2.223 457 N HA -0.188 4.550 4.740 -0.004 0.000 0.185 457 N C 1.806 177.323 175.510 0.011 0.000 1.016 457 N CA 0.984 54.047 53.050 0.022 0.000 0.863 457 N CB -0.183 38.300 38.487 -0.006 0.000 0.983 457 N HN 0.197 nan 8.380 nan 0.000 0.429 458 K N 1.571 121.974 120.400 0.005 0.000 2.103 458 K HA 0.023 4.341 4.320 -0.004 0.000 0.204 458 K C 1.880 178.477 176.600 -0.004 0.000 1.052 458 K CA 0.365 56.677 56.287 0.042 0.000 0.945 458 K CB -0.115 32.480 32.500 0.158 0.000 0.722 458 K HN 0.364 nan 8.250 nan 0.000 0.443 459 I N -2.047 118.505 120.570 -0.028 0.000 3.291 459 I HA -0.092 4.076 4.170 -0.004 0.000 0.279 459 I C 1.627 177.614 176.117 -0.216 0.000 1.294 459 I CA 0.598 61.837 61.300 -0.101 0.000 1.428 459 I CB 0.023 37.979 38.000 -0.075 0.000 1.070 459 I HN -0.043 nan 8.210 nan 0.000 0.478 460 R N 0.650 121.089 120.500 -0.102 0.000 2.064 460 R HA -0.029 4.309 4.340 -0.004 0.000 0.221 460 R C 2.395 178.670 176.300 -0.042 0.000 1.136 460 R CA 0.973 57.036 56.100 -0.062 0.000 0.980 460 R CB -0.561 29.831 30.300 0.153 0.000 0.876 460 R HN 0.375 nan 8.270 nan 0.000 0.437 461 Q N 1.155 120.956 119.800 0.002 0.000 2.197 461 Q HA -0.174 4.164 4.340 -0.004 0.000 0.211 461 Q C 1.733 177.724 176.000 -0.015 0.000 0.993 461 Q CA 2.366 58.178 55.803 0.014 0.000 0.883 461 Q CB 0.043 28.794 28.738 0.023 0.000 0.916 461 Q HN 0.369 nan 8.270 nan 0.000 0.418 462 V N -2.692 117.179 119.914 -0.071 0.000 3.608 462 V HA 0.082 4.200 4.120 -0.004 0.000 0.269 462 V C 0.539 176.546 176.094 -0.145 0.000 1.245 462 V CA 0.755 63.005 62.300 -0.083 0.000 1.138 462 V CB -0.218 31.557 31.823 -0.080 0.000 0.841 462 V HN 0.405 nan 8.190 nan 0.000 0.451 463 Q N 0.022 119.648 119.800 -0.290 0.000 2.475 463 Q HA -0.188 4.150 4.340 -0.004 0.000 0.280 463 Q C -0.160 175.542 176.000 -0.496 0.000 1.234 463 Q CA 0.721 56.252 55.803 -0.453 0.000 0.873 463 Q CB -1.848 26.914 28.738 0.041 0.000 1.256 463 Q HN 0.679 nan 8.270 nan 0.000 0.475 464 L N 0.822 121.716 121.223 -0.549 0.000 2.385 464 L HA 0.172 4.509 4.340 -0.004 0.000 0.285 464 L C 0.465 177.118 176.870 -0.362 0.000 1.125 464 L CA 0.068 54.721 54.840 -0.313 0.000 0.890 464 L CB -0.024 41.917 42.059 -0.197 0.000 1.251 464 L HN 0.155 nan 8.230 nan 0.000 0.445 465 F N 1.212 121.191 119.950 0.048 0.000 2.688 465 F HA 0.221 4.746 4.527 -0.004 0.000 0.310 465 F C 0.889 176.725 175.800 0.059 0.000 1.098 465 F CA -0.522 57.509 58.000 0.051 0.000 1.228 465 F CB 0.047 39.071 39.000 0.039 0.000 1.042 465 F HN 0.479 nan 8.300 nan 0.000 0.557 466 N N -0.147 118.681 118.700 0.214 0.000 2.829 466 N HA -0.172 4.566 4.740 -0.004 0.000 0.250 466 N C 0.101 175.741 175.510 0.217 0.000 1.090 466 N CA 0.947 54.131 53.050 0.224 0.000 0.781 466 N CB -1.705 36.907 38.487 0.209 0.000 1.124 466 N HN 0.325 nan 8.380 nan 0.000 0.559 467 S N -0.713 115.094 115.700 0.178 0.000 2.576 467 S HA 0.402 4.869 4.470 -0.004 0.000 0.276 467 S C -1.302 173.378 174.600 0.133 0.000 1.339 467 S CA -0.936 57.348 58.200 0.140 0.000 1.039 467 S CB 1.667 64.934 63.200 0.112 0.000 0.902 467 S HN -0.121 nan 8.310 nan 0.000 0.516 468 P HA -0.071 nan 4.420 nan 0.000 0.219 468 P C 1.368 178.711 177.300 0.072 0.000 1.146 468 P CA 1.154 64.331 63.100 0.128 0.000 0.808 468 P CB -0.181 31.583 31.700 0.107 0.000 0.779 469 S N -1.003 114.727 115.700 0.050 0.000 2.359 469 S HA -0.123 4.345 4.470 -0.004 0.000 0.224 469 S C 0.800 175.401 174.600 0.000 0.000 1.035 469 S CA 1.016 59.227 58.200 0.018 0.000 1.018 469 S CB -1.241 61.968 63.200 0.015 0.000 0.876 469 S HN 0.209 nan 8.310 nan 0.000 0.448 470 D N 1.200 121.610 120.400 0.016 0.000 2.487 470 D HA 0.139 4.777 4.640 -0.004 0.000 0.243 470 D C 0.856 177.124 176.300 -0.052 0.000 1.154 470 D CA 0.251 54.247 54.000 -0.007 0.000 0.876 470 D CB 0.657 41.473 40.800 0.027 0.000 1.161 470 D HN 0.036 nan 8.370 nan 0.000 0.478 471 R N 1.315 121.765 120.500 -0.084 0.000 2.280 471 R HA 0.071 4.409 4.340 -0.004 0.000 0.195 471 R C -0.054 176.132 176.300 -0.189 0.000 0.935 471 R CA 0.125 56.143 56.100 -0.138 0.000 1.033 471 R CB 0.409 30.640 30.300 -0.116 0.000 0.964 471 R HN 0.370 nan 8.270 nan 0.000 0.489 472 V N -0.527 119.297 119.914 -0.150 0.000 2.378 472 V HA 0.563 4.681 4.120 -0.004 0.000 0.288 472 V C -0.696 175.333 176.094 -0.109 0.000 1.016 472 V CA -1.212 60.985 62.300 -0.172 0.000 0.840 472 V CB 1.763 33.486 31.823 -0.167 0.000 0.994 472 V HN -0.132 nan 8.190 nan 0.000 0.431 473 K N 4.411 124.748 120.400 -0.105 0.000 2.098 473 K HA 0.664 4.982 4.320 -0.004 0.000 0.261 473 K C -0.833 175.802 176.600 0.058 0.000 0.987 473 K CA -0.760 55.557 56.287 0.050 0.000 0.916 473 K CB 1.927 34.529 32.500 0.168 0.000 1.039 473 K HN 0.760 nan 8.250 nan 0.000 0.455 474 M N 3.061 122.730 119.600 0.114 0.000 2.134 474 M HA 0.359 4.837 4.480 -0.004 0.000 0.310 474 M C -1.503 174.875 176.300 0.130 0.000 0.966 474 M CA -0.554 54.797 55.300 0.085 0.000 0.922 474 M CB 0.859 33.491 32.600 0.053 0.000 1.537 474 M HN 0.383 nan 8.290 nan 0.000 0.424 475 I N 5.665 126.291 120.570 0.093 0.000 2.411 475 I HA 0.328 4.495 4.170 -0.004 0.000 0.284 475 I C -1.312 175.005 176.117 0.334 0.000 1.012 475 I CA -0.489 60.900 61.300 0.148 0.000 1.119 475 I CB 1.184 39.170 38.000 -0.023 0.000 1.261 475 I HN 0.545 nan 8.210 nan 0.000 0.448 476 F N 7.135 127.193 119.950 0.181 0.000 2.404 476 F HA 0.365 4.890 4.527 -0.004 0.000 0.354 476 F C -0.125 175.817 175.800 0.237 0.000 1.122 476 F CA -0.652 57.461 58.000 0.189 0.000 1.080 476 F CB 0.494 39.578 39.000 0.139 0.000 1.131 476 F HN 0.407 nan 8.300 nan 0.000 0.471 477 H N 8.441 127.543 119.070 0.053 0.000 2.645 477 H HA 0.338 4.892 4.556 -0.003 0.000 0.257 477 H C -2.530 172.592 175.328 -0.342 0.000 1.269 477 H CA -2.143 53.842 56.048 -0.106 0.000 1.409 477 H CB 1.386 31.145 29.762 -0.006 0.000 1.434 477 H HN 0.336 nan 8.280 nan 0.000 0.505 478 P HA 0.106 nan 4.420 nan 0.000 0.232 478 P C -0.510 176.330 177.300 -0.767 0.000 1.738 478 P CA 0.276 62.884 63.100 -0.821 0.000 0.948 478 P CB -0.119 31.031 31.700 -0.916 0.000 1.943 479 E N 0.328 120.130 120.200 -0.664 0.000 2.478 479 E HA 0.325 4.673 4.350 -0.004 0.000 0.293 479 E C -0.970 175.491 176.600 -0.233 0.000 1.011 479 E CA -0.724 55.331 56.400 -0.576 0.000 0.834 479 E CB 0.304 29.532 29.700 -0.786 0.000 1.226 479 E HN -0.162 nan 8.360 nan 0.000 0.419 480 F N 2.042 121.972 119.950 -0.034 0.000 2.587 480 F HA 0.218 4.742 4.527 -0.004 0.000 0.327 480 F C 0.784 176.628 175.800 0.073 0.000 1.232 480 F CA 0.159 58.168 58.000 0.016 0.000 1.353 480 F CB 0.331 39.313 39.000 -0.030 0.000 1.156 480 F HN 0.312 nan 8.300 nan 0.000 0.599 481 L N 2.065 123.445 121.223 0.261 0.000 2.295 481 L HA 0.395 4.732 4.340 -0.004 0.000 0.285 481 L C -0.352 176.580 176.870 0.103 0.000 1.035 481 L CA -0.532 54.372 54.840 0.107 0.000 0.806 481 L CB 0.932 42.955 42.059 -0.060 0.000 1.214 481 L HN 0.550 nan 8.230 nan 0.000 0.426 482 N N 0.985 119.728 118.700 0.073 0.000 2.260 482 N HA 0.304 5.042 4.740 -0.004 0.000 0.293 482 N C 0.348 175.873 175.510 0.024 0.000 1.058 482 N CA -0.347 52.735 53.050 0.053 0.000 0.824 482 N CB 2.325 40.855 38.487 0.072 0.000 1.551 482 N HN 0.655 nan 8.380 nan 0.000 0.475 483 A N 1.938 124.764 122.820 0.009 0.000 2.131 483 A HA -0.187 4.131 4.320 -0.004 0.000 0.220 483 A C 1.099 178.681 177.584 -0.004 0.000 1.158 483 A CA 1.477 53.510 52.037 -0.007 0.000 0.665 483 A CB -0.791 18.204 19.000 -0.008 0.000 0.795 483 A HN 0.837 nan 8.150 nan 0.000 0.460 484 N N -0.810 117.899 118.700 0.015 0.000 2.313 484 N HA 0.045 4.783 4.740 -0.004 0.000 0.207 484 N C -0.523 175.009 175.510 0.038 0.000 1.141 484 N CA -0.336 52.726 53.050 0.021 0.000 0.830 484 N CB -0.037 38.467 38.487 0.029 0.000 1.008 484 N HN 0.130 nan 8.380 nan 0.000 0.481 485 N N 1.673 120.393 118.700 0.033 0.000 2.458 485 N HA 0.144 4.882 4.740 -0.004 0.000 0.270 485 N C -1.519 173.938 175.510 -0.088 0.000 1.102 485 N CA -1.933 51.141 53.050 0.039 0.000 0.967 485 N CB 1.334 39.876 38.487 0.090 0.000 1.078 485 N HN 0.046 nan 8.380 nan 0.000 0.471 486 P HA -0.135 nan 4.420 nan 0.000 0.216 486 P C 1.086 178.225 177.300 -0.268 0.000 1.150 486 P CA 0.874 63.838 63.100 -0.227 0.000 0.843 486 P CB 0.412 31.921 31.700 -0.318 0.000 0.787 487 I N -2.027 118.277 120.570 -0.443 0.000 2.260 487 I HA -0.006 4.162 4.170 -0.004 0.000 0.237 487 I C 1.047 177.096 176.117 -0.113 0.000 1.075 487 I CA 0.917 62.068 61.300 -0.248 0.000 1.376 487 I CB -0.664 37.115 38.000 -0.368 0.000 1.107 487 I HN -0.146 nan 8.210 nan 0.000 0.420 488 L N 0.486 121.558 121.223 -0.252 0.000 2.417 488 L HA 0.534 4.872 4.340 -0.004 0.000 0.259 488 L C 0.623 177.364 176.870 -0.214 0.000 1.023 488 L CA -0.288 54.349 54.840 -0.338 0.000 0.901 488 L CB 0.542 42.154 42.059 -0.745 0.000 1.227 488 L HN 0.156 nan 8.230 nan 0.000 0.454 489 G N 5.453 114.183 108.800 -0.117 0.000 3.397 489 G HA2 0.316 4.274 3.960 -0.004 0.000 0.248 489 G HA3 0.316 4.274 3.960 -0.004 0.000 0.248 489 G C -0.047 174.812 174.900 -0.069 0.000 1.284 489 G CA -0.001 45.054 45.100 -0.075 0.000 1.570 489 G HN 0.460 nan 8.290 nan 0.000 0.587 490 L N -0.846 120.318 121.223 -0.097 0.000 2.301 490 L HA 0.512 4.850 4.340 -0.004 0.000 0.264 490 L C -0.440 176.404 176.870 -0.043 0.000 1.016 490 L CA -1.363 53.436 54.840 -0.067 0.000 0.821 490 L CB 1.745 43.762 42.059 -0.069 0.000 1.346 490 L HN -0.093 nan 8.230 nan 0.000 0.429 491 D N -0.869 119.527 120.400 -0.007 0.000 2.411 491 D HA 0.028 4.666 4.640 -0.004 0.000 0.251 491 D C 0.391 176.736 176.300 0.075 0.000 1.201 491 D CA -0.126 53.897 54.000 0.037 0.000 0.996 491 D CB 0.810 41.635 40.800 0.041 0.000 1.101 491 D HN 0.468 nan 8.370 nan 0.000 0.504 492 Y N 0.857 121.160 120.300 0.005 0.000 2.200 492 Y HA -0.217 4.331 4.550 -0.003 0.000 0.290 492 Y C 1.966 177.906 175.900 0.067 0.000 1.137 492 Y CA 2.156 60.278 58.100 0.037 0.000 1.163 492 Y CB 0.058 38.555 38.460 0.062 0.000 0.988 492 Y HN 0.440 nan 8.280 nan 0.000 0.518 493 D N -0.229 120.252 120.400 0.135 0.000 2.123 493 D HA -0.246 4.392 4.640 -0.004 0.000 0.196 493 D C 1.607 177.880 176.300 -0.045 0.000 0.992 493 D CA 1.798 55.832 54.000 0.057 0.000 0.833 493 D CB -0.559 40.351 40.800 0.182 0.000 0.954 493 D HN 0.591 nan 8.370 nan 0.000 0.455 494 E N -0.295 119.891 120.200 -0.022 0.000 2.038 494 E HA -0.174 4.174 4.350 -0.004 0.000 0.195 494 E C 2.028 178.557 176.600 -0.119 0.000 1.000 494 E CA 1.107 57.476 56.400 -0.051 0.000 0.803 494 E CB -0.355 29.328 29.700 -0.029 0.000 0.750 494 E HN 0.332 nan 8.360 nan 0.000 0.448 495 F N 1.280 121.039 119.950 -0.319 0.000 2.075 495 F HA -0.231 4.295 4.527 -0.002 0.000 0.297 495 F C 2.158 177.633 175.800 -0.542 0.000 1.113 495 F CA 1.122 58.846 58.000 -0.459 0.000 1.218 495 F CB -0.502 38.169 39.000 -0.548 0.000 0.984 495 F HN -0.204 nan 8.300 nan 0.000 0.472 496 V N 1.333 120.803 119.914 -0.740 0.000 2.250 496 V HA -0.376 3.742 4.120 -0.004 0.000 0.250 496 V C 2.641 178.490 176.094 -0.407 0.000 1.060 496 V CA 2.499 64.323 62.300 -0.793 0.000 1.030 496 V CB -0.742 30.764 31.823 -0.528 0.000 0.643 496 V HN 0.329 nan 8.190 nan 0.000 0.445 497 R N -0.160 120.195 120.500 -0.241 0.000 2.120 497 R HA -0.120 4.218 4.340 -0.004 0.000 0.234 497 R C 2.279 178.553 176.300 -0.044 0.000 1.123 497 R CA 1.394 57.449 56.100 -0.075 0.000 0.975 497 R CB -0.705 29.578 30.300 -0.028 0.000 0.866 497 R HN 0.614 nan 8.270 nan 0.000 0.446 498 G N -0.171 108.485 108.800 -0.241 0.000 2.679 498 G HA2 -0.093 3.865 3.960 -0.004 0.000 0.212 498 G HA3 -0.093 3.865 3.960 -0.004 0.000 0.212 498 G C 0.478 175.203 174.900 -0.292 0.000 1.137 498 G CA -0.010 44.897 45.100 -0.322 0.000 0.787 498 G HN 0.210 nan 8.290 nan 0.000 0.534 499 C N -1.197 117.949 119.300 -0.257 0.000 2.478 499 C HA 0.535 4.993 4.460 -0.004 0.000 0.379 499 C C 1.476 176.481 174.990 0.025 0.000 1.470 499 C CA -0.583 58.378 59.018 -0.095 0.000 2.066 499 C CB 1.014 28.716 27.740 -0.063 0.000 2.001 499 C HN 0.481 nan 8.230 nan 0.000 0.550 500 H N -0.813 118.497 119.070 0.400 0.000 2.695 500 H HA 0.381 4.935 4.556 -0.004 0.000 0.267 500 H C -0.453 174.952 175.328 0.129 0.000 0.973 500 H CA 0.470 56.747 56.048 0.381 0.000 1.223 500 H CB 0.635 30.720 29.762 0.537 0.000 1.442 500 H HN 0.333 nan 8.280 nan 0.000 0.478 501 L N 0.643 121.910 121.223 0.072 0.000 2.614 501 L HA 0.511 4.849 4.340 -0.004 0.000 0.264 501 L C -0.528 176.002 176.870 -0.566 0.000 0.940 501 L CA -0.575 53.987 54.840 -0.464 0.000 0.903 501 L CB 1.657 43.047 42.059 -1.116 0.000 1.306 501 L HN 0.087 nan 8.230 nan 0.000 0.410 502 G N 3.398 111.779 108.800 -0.699 0.000 2.395 502 G HA2 0.576 4.534 3.960 -0.004 0.000 0.283 502 G HA3 0.576 4.534 3.960 -0.004 0.000 0.283 502 G C -1.227 172.808 174.900 -1.441 0.000 1.178 502 G CA -0.432 43.832 45.100 -1.393 0.000 0.837 502 G HN 0.557 nan 8.290 nan 0.000 0.518 503 V N 2.009 120.834 119.914 -1.814 0.000 2.409 503 V HA 0.407 4.525 4.120 -0.004 0.000 0.290 503 V C -1.198 174.112 176.094 -1.306 0.000 1.017 503 V CA -0.607 60.963 62.300 -1.216 0.000 0.841 503 V CB 0.782 32.315 31.823 -0.484 0.000 1.003 503 V HN 0.630 nan 8.190 nan 0.000 0.426 504 F N 5.359 125.151 119.950 -0.264 0.000 2.686 504 F HA 0.449 4.973 4.527 -0.004 0.000 0.365 504 F C -2.353 173.380 175.800 -0.112 0.000 1.196 504 F CA -2.460 55.422 58.000 -0.196 0.000 1.198 504 F CB 1.456 40.351 39.000 -0.175 0.000 1.454 504 F HN 0.298 nan 8.300 nan 0.000 0.539 505 P HA 0.079 nan 4.420 nan 0.000 0.237 505 P C -0.215 177.127 177.300 0.071 0.000 1.723 505 P CA 0.171 63.295 63.100 0.040 0.000 0.882 505 P CB -0.118 31.610 31.700 0.047 0.000 1.810 506 S N 0.108 115.858 115.700 0.085 0.000 2.562 506 S HA 0.049 4.517 4.470 -0.004 0.000 0.281 506 S C 0.458 175.164 174.600 0.176 0.000 1.333 506 S CA -0.176 58.090 58.200 0.110 0.000 1.052 506 S CB 0.573 63.814 63.200 0.068 0.000 0.884 506 S HN 0.271 nan 8.310 nan 0.000 0.506 507 Y N 1.738 122.093 120.300 0.093 0.000 2.464 507 Y HA 0.317 4.864 4.550 -0.004 0.000 0.288 507 Y C -0.085 176.018 175.900 0.338 0.000 1.133 507 Y CA 0.129 58.333 58.100 0.173 0.000 1.223 507 Y CB 0.160 38.715 38.460 0.159 0.000 1.187 507 Y HN 0.687 nan 8.280 nan 0.000 0.539 508 Y N 1.947 122.233 120.300 -0.023 0.000 2.326 508 Y HA 0.482 5.030 4.550 -0.003 0.000 0.329 508 Y C -1.199 174.711 175.900 0.016 0.000 0.973 508 Y CA -1.222 56.825 58.100 -0.089 0.000 1.162 508 Y CB 0.923 39.241 38.460 -0.237 0.000 1.147 508 Y HN 0.210 nan 8.280 nan 0.000 0.456 509 E N 8.188 128.132 120.200 -0.426 0.000 2.639 509 E HA 0.265 4.612 4.350 -0.004 0.000 0.378 509 E C -2.746 173.718 176.600 -0.227 0.000 1.002 509 E CA -1.484 54.770 56.400 -0.243 0.000 0.747 509 E CB 1.324 30.974 29.700 -0.085 0.000 1.571 509 E HN 0.374 nan 8.360 nan 0.000 0.382 510 P HA -0.074 nan 4.420 nan 0.000 0.218 510 P C 0.133 177.531 177.300 0.164 0.000 1.149 510 P CA 0.944 64.011 63.100 -0.056 0.000 0.817 510 P CB 0.161 31.858 31.700 -0.005 0.000 0.785 511 W N -1.208 120.041 121.300 -0.084 0.000 4.600 511 W HA 0.343 5.001 4.660 -0.003 0.000 0.182 511 W C -0.581 175.881 176.519 -0.096 0.000 2.575 511 W CA 0.532 57.817 57.345 -0.100 0.000 2.151 511 W CB 0.397 29.747 29.460 -0.184 0.000 1.520 511 W HN -0.010 nan 8.180 nan 0.000 0.733 512 G N 1.729 110.418 108.800 -0.184 0.000 2.721 512 G HA2 -0.282 3.675 3.960 -0.004 0.000 0.462 512 G HA3 -0.282 3.675 3.960 -0.004 0.000 0.462 512 G C -0.738 173.877 174.900 -0.475 0.000 1.062 512 G CA -0.060 44.843 45.100 -0.327 0.000 1.233 512 G HN 0.445 nan 8.290 nan 0.000 0.545 513 Y N 0.689 120.923 120.300 -0.110 0.000 2.337 513 Y HA -0.123 4.424 4.550 -0.004 0.000 0.293 513 Y C 3.191 178.933 175.900 -0.264 0.000 1.123 513 Y CA 2.051 60.102 58.100 -0.083 0.000 1.201 513 Y CB 0.243 38.755 38.460 0.086 0.000 1.011 513 Y HN 0.701 nan 8.280 nan 0.000 0.545 514 T N -0.874 113.598 114.554 -0.137 0.000 2.635 514 T HA -0.186 4.162 4.350 -0.004 0.000 0.267 514 T C -0.540 173.751 174.700 -0.681 0.000 1.040 514 T CA 1.326 63.257 62.100 -0.282 0.000 1.156 514 T CB -1.918 66.794 68.868 -0.260 0.000 0.863 514 T HN 0.236 nan 8.240 nan 0.000 0.430 515 P HA 0.074 nan 4.420 nan 0.000 0.216 515 P C 1.734 178.471 177.300 -0.938 0.000 1.153 515 P CA 1.552 63.979 63.100 -1.121 0.000 0.844 515 P CB -0.328 30.881 31.700 -0.817 0.000 0.787 516 A N 1.265 123.316 122.820 -1.282 0.000 1.930 516 A HA -0.191 4.127 4.320 -0.004 0.000 0.217 516 A C 2.206 179.503 177.584 -0.478 0.000 1.175 516 A CA 1.773 53.066 52.037 -1.240 0.000 0.627 516 A CB -1.236 17.144 19.000 -1.033 0.000 0.815 516 A HN 0.420 nan 8.150 nan 0.000 0.443 517 E N -1.191 118.825 120.200 -0.308 0.000 2.299 517 E HA -0.112 4.235 4.350 -0.004 0.000 0.193 517 E C 1.883 178.337 176.600 -0.243 0.000 0.998 517 E CA 0.858 57.096 56.400 -0.269 0.000 0.851 517 E CB -0.713 28.934 29.700 -0.089 0.000 0.795 517 E HN 0.478 nan 8.360 nan 0.000 0.492 518 C N 1.141 120.336 119.300 -0.175 0.000 2.432 518 C HA -0.102 4.356 4.460 -0.004 0.000 0.277 518 C C 2.770 177.728 174.990 -0.054 0.000 1.249 518 C CA 1.709 60.712 59.018 -0.026 0.000 1.725 518 C CB -1.098 26.675 27.740 0.055 0.000 2.028 518 C HN 0.559 nan 8.230 nan 0.000 0.477 519 T N 0.215 114.707 114.554 -0.103 0.000 2.777 519 T HA -0.111 4.236 4.350 -0.004 0.000 0.266 519 T C 1.769 176.435 174.700 -0.056 0.000 1.040 519 T CA 1.673 63.760 62.100 -0.023 0.000 1.141 519 T CB -0.265 68.642 68.868 0.066 0.000 0.868 519 T HN 0.421 nan 8.240 nan 0.000 0.444 520 V N 1.542 121.362 119.914 -0.156 0.000 2.469 520 V HA -0.123 3.995 4.120 -0.004 0.000 0.251 520 V C 2.224 178.212 176.094 -0.177 0.000 1.064 520 V CA 1.504 63.686 62.300 -0.196 0.000 1.066 520 V CB -0.557 31.032 31.823 -0.390 0.000 0.667 520 V HN 0.529 nan 8.190 nan 0.000 0.461 521 M N -0.343 119.139 119.600 -0.196 0.000 2.659 521 M HA 0.204 4.682 4.480 -0.004 0.000 0.243 521 M C 1.313 177.607 176.300 -0.010 0.000 1.111 521 M CA 0.888 56.136 55.300 -0.088 0.000 1.070 521 M CB 0.022 32.579 32.600 -0.072 0.000 1.525 521 M HN 0.513 nan 8.290 nan 0.000 0.517 522 G N 1.138 109.937 108.800 -0.002 0.000 2.212 522 G HA2 -0.178 3.780 3.960 -0.004 0.000 0.255 522 G HA3 -0.178 3.780 3.960 -0.004 0.000 0.255 522 G C -0.385 174.540 174.900 0.042 0.000 1.062 522 G CA -0.300 44.819 45.100 0.031 0.000 0.815 522 G HN 0.331 nan 8.290 nan 0.000 0.497 523 V N 0.617 120.559 119.914 0.047 0.000 2.540 523 V HA 0.539 4.657 4.120 -0.004 0.000 0.302 523 V C -1.802 174.325 176.094 0.055 0.000 1.035 523 V CA -1.881 60.456 62.300 0.062 0.000 0.873 523 V CB 2.264 34.142 31.823 0.092 0.000 0.992 523 V HN 0.122 nan 8.190 nan 0.000 0.428 524 P HA 0.219 nan 4.420 nan 0.000 0.267 524 P C -0.751 176.473 177.300 -0.128 0.000 1.200 524 P CA 0.233 63.334 63.100 0.002 0.000 0.772 524 P CB 0.475 32.164 31.700 -0.017 0.000 0.855 525 S N 1.021 116.662 115.700 -0.098 0.000 2.547 525 S HA 0.633 5.101 4.470 -0.004 0.000 0.270 525 S C -0.938 173.582 174.600 -0.133 0.000 1.150 525 S CA -0.853 57.270 58.200 -0.128 0.000 0.850 525 S CB 0.881 64.169 63.200 0.146 0.000 1.118 525 S HN 0.206 nan 8.310 nan 0.000 0.461 526 I N 1.771 122.188 120.570 -0.254 0.000 2.389 526 I HA 0.536 4.704 4.170 -0.004 0.000 0.288 526 I C 0.291 176.382 176.117 -0.042 0.000 0.999 526 I CA -0.222 60.953 61.300 -0.208 0.000 1.129 526 I CB 1.910 39.696 38.000 -0.357 0.000 1.288 526 I HN 0.749 nan 8.210 nan 0.000 0.444 527 T N 3.448 118.009 114.554 0.011 0.000 2.768 527 T HA 0.648 4.996 4.350 -0.004 0.000 0.268 527 T C -0.003 174.685 174.700 -0.021 0.000 0.969 527 T CA -0.215 61.918 62.100 0.055 0.000 1.008 527 T CB 1.655 70.592 68.868 0.115 0.000 1.371 527 T HN 0.744 nan 8.240 nan 0.000 0.587 528 T N -0.153 114.386 114.554 -0.026 0.000 2.883 528 T HA 0.433 4.781 4.350 -0.004 0.000 0.284 528 T C 0.524 175.164 174.700 -0.101 0.000 1.041 528 T CA -0.656 61.413 62.100 -0.053 0.000 1.007 528 T CB 0.978 69.829 68.868 -0.028 0.000 1.220 528 T HN 0.592 nan 8.240 nan 0.000 0.552 529 N N -0.073 118.548 118.700 -0.130 0.000 2.230 529 N HA 0.023 4.761 4.740 -0.004 0.000 0.202 529 N C 1.148 176.505 175.510 -0.255 0.000 1.119 529 N CA 0.426 53.374 53.050 -0.169 0.000 0.851 529 N CB -0.211 38.193 38.487 -0.139 0.000 0.990 529 N HN 0.594 nan 8.380 nan 0.000 0.497 530 V N -4.164 115.583 119.914 -0.279 0.000 3.643 530 V HA 0.329 4.447 4.120 -0.004 0.000 0.280 530 V C 0.804 176.803 176.094 -0.157 0.000 1.351 530 V CA -0.373 61.695 62.300 -0.386 0.000 1.073 530 V CB -0.468 30.917 31.823 -0.729 0.000 0.863 530 V HN 0.214 nan 8.190 nan 0.000 0.436 531 S N 1.330 116.959 115.700 -0.119 0.000 2.565 531 S HA 0.510 4.978 4.470 -0.004 0.000 0.276 531 S C 1.586 176.128 174.600 -0.097 0.000 1.326 531 S CA 0.333 58.474 58.200 -0.097 0.000 1.045 531 S CB 1.187 64.336 63.200 -0.085 0.000 0.918 531 S HN 0.606 nan 8.310 nan 0.000 0.505 532 G N 3.587 112.343 108.800 -0.072 0.000 2.421 532 G HA2 -0.174 3.783 3.960 -0.004 0.000 0.216 532 G HA3 -0.174 3.783 3.960 -0.004 0.000 0.216 532 G C 1.075 175.883 174.900 -0.154 0.000 1.171 532 G CA 0.798 45.913 45.100 0.026 0.000 0.775 532 G HN 0.777 nan 8.290 nan 0.000 0.543 533 F N 2.541 122.044 119.950 -0.746 0.000 2.171 533 F HA 0.075 4.599 4.527 -0.004 0.000 0.300 533 F C 2.488 178.043 175.800 -0.408 0.000 1.090 533 F CA 1.332 58.724 58.000 -1.013 0.000 1.293 533 F CB -0.524 37.755 39.000 -1.202 0.000 1.013 533 F HN 0.117 nan 8.300 nan 0.000 0.486 534 G N 0.126 108.717 108.800 -0.349 0.000 2.545 534 G HA2 -0.380 3.578 3.960 -0.004 0.000 0.217 534 G HA3 -0.380 3.578 3.960 -0.004 0.000 0.217 534 G C 1.793 176.524 174.900 -0.282 0.000 1.218 534 G CA 1.946 46.854 45.100 -0.320 0.000 0.787 534 G HN 0.541 nan 8.290 nan 0.000 0.571 535 S N 0.167 115.770 115.700 -0.162 0.000 2.393 535 S HA -0.390 4.078 4.470 -0.004 0.000 0.235 535 S C 2.209 176.778 174.600 -0.053 0.000 1.061 535 S CA 2.193 60.347 58.200 -0.075 0.000 1.129 535 S CB -1.030 62.174 63.200 0.006 0.000 1.011 535 S HN 0.501 nan 8.310 nan 0.000 0.436 536 Y N 1.510 121.712 120.300 -0.163 0.000 2.181 536 Y HA -0.035 4.513 4.550 -0.003 0.000 0.288 536 Y C 2.537 178.291 175.900 -0.242 0.000 1.146 536 Y CA 1.731 59.760 58.100 -0.119 0.000 1.164 536 Y CB -0.624 37.860 38.460 0.040 0.000 0.982 536 Y HN 0.239 nan 8.280 nan 0.000 0.515 537 M N 0.615 119.899 119.600 -0.528 0.000 2.159 537 M HA -0.168 4.310 4.480 -0.004 0.000 0.263 537 M C 2.136 178.180 176.300 -0.427 0.000 1.063 537 M CA 1.584 56.507 55.300 -0.628 0.000 1.110 537 M CB -0.886 31.220 32.600 -0.822 0.000 1.374 537 M HN 0.381 nan 8.290 nan 0.000 0.411 538 E N -0.129 119.882 120.200 -0.316 0.000 2.147 538 E HA -0.231 4.117 4.350 -0.004 0.000 0.199 538 E C 0.341 176.823 176.600 -0.196 0.000 1.005 538 E CA 1.494 57.768 56.400 -0.210 0.000 0.810 538 E CB -0.029 29.586 29.700 -0.142 0.000 0.736 538 E HN 0.428 nan 8.360 nan 0.000 0.460 539 D N -0.357 119.901 120.400 -0.236 0.000 2.346 539 D HA 0.127 4.765 4.640 -0.004 0.000 0.248 539 D C -0.356 175.798 176.300 -0.243 0.000 1.173 539 D CA 0.497 54.375 54.000 -0.204 0.000 0.878 539 D CB 0.024 40.721 40.800 -0.171 0.000 0.919 539 D HN 0.125 nan 8.370 nan 0.000 0.513 547 K N 1.246 121.566 120.400 -0.134 0.000 2.360 547 K HA -0.074 4.244 4.320 -0.004 0.000 0.201 547 K C 0.587 177.030 176.600 -0.262 0.000 1.046 547 K CA 1.263 57.351 56.287 -0.331 0.000 0.945 547 K CB -0.192 31.960 32.500 -0.579 0.000 0.750 547 K HN 0.511 nan 8.250 nan 0.000 0.464 548 D N 0.325 120.632 120.400 -0.154 0.000 2.265 548 D HA -0.173 4.465 4.640 -0.004 0.000 0.208 548 D C 1.013 177.186 176.300 -0.213 0.000 0.977 548 D CA 1.257 55.147 54.000 -0.183 0.000 0.871 548 D CB -0.036 40.620 40.800 -0.239 0.000 0.925 548 D HN 0.323 nan 8.370 nan 0.000 0.485 549 Y N -0.143 120.120 120.300 -0.062 0.000 2.490 549 Y HA 0.242 4.792 4.550 -0.001 0.000 0.281 549 Y C 1.835 177.740 175.900 0.009 0.000 1.174 549 Y CA 0.397 58.481 58.100 -0.026 0.000 1.295 549 Y CB 0.540 38.974 38.460 -0.043 0.000 1.062 549 Y HN 0.043 nan 8.280 nan 0.000 0.522 550 G N 0.538 109.416 108.800 0.130 0.000 2.141 550 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.231 550 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.231 550 G C -0.086 174.939 174.900 0.208 0.000 0.984 550 G CA -0.094 45.128 45.100 0.203 0.000 0.660 550 G HN 0.270 nan 8.290 nan 0.000 0.525 551 I N 1.077 121.714 120.570 0.111 0.000 2.411 551 I HA 0.411 4.579 4.170 -0.004 0.000 0.284 551 I C -0.206 175.898 176.117 -0.022 0.000 1.012 551 I CA -1.122 60.231 61.300 0.087 0.000 1.119 551 I CB 0.997 39.000 38.000 0.004 0.000 1.261 551 I HN 0.104 nan 8.210 nan 0.000 0.448 552 Y N 6.301 126.463 120.300 -0.230 0.000 2.323 552 Y HA 0.561 5.109 4.550 -0.004 0.000 0.331 552 Y C 0.241 175.887 175.900 -0.424 0.000 1.092 552 Y CA -0.887 56.944 58.100 -0.450 0.000 1.150 552 Y CB 1.481 39.499 38.460 -0.737 0.000 1.200 552 Y HN 0.333 nan 8.280 nan 0.000 0.472 553 I N 4.057 124.458 120.570 -0.282 0.000 2.420 553 I HA 0.214 4.382 4.170 -0.004 0.000 0.282 553 I C -0.809 175.241 176.117 -0.110 0.000 1.019 553 I CA -0.809 60.389 61.300 -0.171 0.000 1.130 553 I CB 1.271 39.198 38.000 -0.122 0.000 1.262 553 I HN 0.319 nan 8.210 nan 0.000 0.454 554 V N 5.035 124.908 119.914 -0.069 0.000 2.572 554 V HA -0.000 4.118 4.120 -0.004 0.000 0.291 554 V C 0.405 176.529 176.094 0.050 0.000 1.039 554 V CA 0.009 62.358 62.300 0.082 0.000 1.055 554 V CB 1.191 33.062 31.823 0.081 0.000 0.969 554 V HN 0.630 nan 8.190 nan 0.000 0.482 555 D N 4.873 125.326 120.400 0.089 0.000 2.352 555 D HA 0.131 4.769 4.640 -0.004 0.000 0.245 555 D C 0.858 177.161 176.300 0.004 0.000 1.224 555 D CA -0.024 54.001 54.000 0.041 0.000 0.879 555 D CB 0.589 41.456 40.800 0.112 0.000 1.057 555 D HN 0.370 nan 8.370 nan 0.000 0.491 556 R N 3.108 123.567 120.500 -0.068 0.000 2.365 556 R HA 0.110 4.448 4.340 -0.004 0.000 0.223 556 R C 1.665 177.900 176.300 -0.109 0.000 0.899 556 R CA 0.002 56.076 56.100 -0.042 0.000 1.059 556 R CB 0.418 30.722 30.300 0.006 0.000 1.086 556 R HN 0.431 nan 8.270 nan 0.000 0.522 557 R N -0.785 119.521 120.500 -0.323 0.000 2.175 557 R HA 0.078 4.416 4.340 -0.004 0.000 0.202 557 R C 0.786 176.777 176.300 -0.515 0.000 1.018 557 R CA 0.866 56.630 56.100 -0.560 0.000 1.029 557 R CB 0.276 29.955 30.300 -1.035 0.000 0.959 557 R HN -0.026 nan 8.270 nan 0.000 0.480 558 F N 0.440 120.389 119.950 -0.002 0.000 2.480 558 F HA 0.322 4.846 4.527 -0.004 0.000 0.280 558 F C 0.585 176.396 175.800 0.020 0.000 1.002 558 F CA -0.021 57.983 58.000 0.006 0.000 1.325 558 F CB -0.335 38.656 39.000 -0.014 0.000 1.134 558 F HN -0.327 nan 8.300 nan 0.000 0.646 559 K N 1.281 121.791 120.400 0.183 0.000 2.319 559 K HA 0.430 4.748 4.320 -0.004 0.000 0.265 559 K C 0.164 176.811 176.600 0.077 0.000 1.000 559 K CA -0.140 56.213 56.287 0.110 0.000 0.943 559 K CB 0.509 33.060 32.500 0.086 0.000 0.950 559 K HN 0.104 nan 8.250 nan 0.000 0.485 560 A N 3.006 125.863 122.820 0.061 0.000 2.313 560 A HA 0.186 4.504 4.320 -0.004 0.000 0.261 560 A C -1.589 176.013 177.584 0.030 0.000 1.090 560 A CA -1.292 50.773 52.037 0.048 0.000 0.807 560 A CB -0.184 18.839 19.000 0.039 0.000 1.055 560 A HN 0.498 nan 8.150 nan 0.000 0.492 561 P HA -0.212 nan 4.420 nan 0.000 0.218 561 P C 0.915 178.213 177.300 -0.002 0.000 1.154 561 P CA 1.768 64.866 63.100 -0.003 0.000 0.872 561 P CB 0.179 31.871 31.700 -0.014 0.000 0.790 562 D N -0.728 119.673 120.400 0.001 0.000 2.137 562 D HA -0.120 4.518 4.640 -0.004 0.000 0.202 562 D C 1.707 178.006 176.300 -0.002 0.000 0.970 562 D CA 0.914 54.911 54.000 -0.005 0.000 0.837 562 D CB 0.024 40.820 40.800 -0.008 0.000 0.981 562 D HN 0.221 nan 8.370 nan 0.000 0.475 563 E N 0.240 120.444 120.200 0.007 0.000 2.153 563 E HA -0.103 4.245 4.350 -0.004 0.000 0.194 563 E C 2.254 178.865 176.600 0.019 0.000 0.988 563 E CA 0.656 57.062 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 0.078 nan 8.360 nan 0.000 0.466 564 S N 0.595 116.311 115.700 0.027 0.000 2.351 564 S HA -0.164 4.304 4.470 -0.004 0.000 0.220 564 S C 2.253 176.875 174.600 0.037 0.000 1.035 564 S CA 1.177 59.401 58.200 0.040 0.000 1.031 564 S CB -0.336 62.883 63.200 0.031 0.000 0.928 564 S HN 0.074 nan 8.310 nan 0.000 0.433 565 V N 2.471 122.395 119.914 0.016 0.000 2.250 565 V HA -0.225 3.893 4.120 -0.004 0.000 0.250 565 V C 2.617 178.714 176.094 0.005 0.000 1.060 565 V CA 1.868 64.172 62.300 0.007 0.000 1.030 565 V CB -0.707 31.109 31.823 -0.012 0.000 0.643 565 V HN 0.414 nan 8.190 nan 0.000 0.445 566 E N -0.314 119.881 120.200 -0.008 0.000 2.085 566 E HA -0.299 4.049 4.350 -0.004 0.000 0.194 566 E C 2.229 178.813 176.600 -0.027 0.000 0.994 566 E CA 1.750 58.135 56.400 -0.024 0.000 0.801 566 E CB -0.365 29.315 29.700 -0.033 0.000 0.743 566 E HN 0.754 nan 8.360 nan 0.000 0.453 567 Q N 0.452 120.245 119.800 -0.011 0.000 2.181 567 Q HA -0.138 4.200 4.340 -0.004 0.000 0.205 567 Q C 2.347 178.377 176.000 0.049 0.000 0.980 567 Q CA 0.854 56.635 55.803 -0.038 0.000 0.862 567 Q CB -0.099 28.674 28.738 0.059 0.000 0.905 567 Q HN 0.267 nan 8.270 nan 0.000 0.429 568 L N -0.164 121.135 121.223 0.127 0.000 2.027 568 L HA -0.175 4.162 4.340 -0.004 0.000 0.206 568 L C 2.232 179.170 176.870 0.113 0.000 1.074 568 L CA 1.145 56.091 54.840 0.176 0.000 0.745 568 L CB -0.206 41.906 42.059 0.088 0.000 0.898 568 L HN 0.209 nan 8.230 nan 0.000 0.433 569 V N -0.558 119.380 119.914 0.040 0.000 2.407 569 V HA -0.275 3.843 4.120 -0.004 0.000 0.248 569 V C 2.100 178.210 176.094 0.027 0.000 1.055 569 V CA 1.826 64.142 62.300 0.026 0.000 1.049 569 V CB -0.818 31.003 31.823 -0.004 0.000 0.662 569 V HN 0.451 nan 8.190 nan 0.000 0.455 570 D N -0.498 119.882 120.400 -0.034 0.000 2.117 570 D HA -0.178 4.460 4.640 -0.004 0.000 0.197 570 D C 2.102 178.384 176.300 -0.030 0.000 0.987 570 D CA 1.669 55.617 54.000 -0.086 0.000 0.829 570 D CB -0.380 40.287 40.800 -0.223 0.000 0.961 570 D HN 0.572 nan 8.370 nan 0.000 0.460 571 Y N 0.441 120.789 120.300 0.079 0.000 2.181 571 Y HA -0.137 4.410 4.550 -0.004 0.000 0.288 571 Y C 2.699 178.608 175.900 0.016 0.000 1.146 571 Y CA 0.724 58.886 58.100 0.104 0.000 1.164 571 Y CB -0.154 38.347 38.460 0.068 0.000 0.982 571 Y HN -0.108 nan 8.280 nan 0.000 0.515 572 M N -0.289 119.405 119.600 0.158 0.000 2.099 572 M HA -0.237 4.241 4.480 -0.004 0.000 0.262 572 M C 2.209 178.669 176.300 0.267 0.000 1.067 572 M CA 1.809 57.219 55.300 0.184 0.000 1.124 572 M CB -0.338 32.404 32.600 0.237 0.000 1.353 572 M HN 0.219 nan 8.290 nan 0.000 0.410 573 E N 0.751 121.054 120.200 0.170 0.000 2.033 573 E HA -0.312 4.036 4.350 -0.004 0.000 0.199 573 E C 1.833 178.518 176.600 0.141 0.000 1.011 573 E CA 2.098 58.572 56.400 0.125 0.000 0.815 573 E CB -0.153 29.588 29.700 0.067 0.000 0.755 573 E HN 0.500 nan 8.360 nan 0.000 0.451 574 E N -0.694 119.602 120.200 0.160 0.000 2.114 574 E HA -0.266 4.082 4.350 -0.004 0.000 0.199 574 E C 1.916 178.642 176.600 0.210 0.000 1.008 574 E CA 1.492 58.000 56.400 0.179 0.000 0.810 574 E CB -0.330 29.521 29.700 0.251 0.000 0.739 574 E HN 0.389 nan 8.360 nan 0.000 0.456 575 F N 0.650 120.673 119.950 0.122 0.000 2.146 575 F HA -0.145 4.382 4.527 -0.001 0.000 0.298 575 F C 2.116 177.973 175.800 0.095 0.000 1.096 575 F CA 1.277 59.339 58.000 0.102 0.000 1.275 575 F CB -0.214 38.800 39.000 0.022 0.000 1.008 575 F HN -0.095 nan 8.300 nan 0.000 0.480 576 V N 0.465 120.491 119.914 0.186 0.000 2.332 576 V HA -0.306 3.812 4.120 -0.004 0.000 0.248 576 V C 1.667 177.716 176.094 -0.075 0.000 1.055 576 V CA 2.021 64.341 62.300 0.034 0.000 1.038 576 V CB -0.836 31.015 31.823 0.046 0.000 0.651 576 V HN 0.237 nan 8.190 nan 0.000 0.450 577 K N 0.611 120.989 120.400 -0.037 0.000 2.665 577 K HA 0.134 4.452 4.320 -0.004 0.000 0.214 577 K C 0.293 176.845 176.600 -0.080 0.000 1.032 577 K CA -0.036 56.220 56.287 -0.051 0.000 1.198 577 K CB -0.022 32.468 32.500 -0.016 0.000 0.941 577 K HN 0.336 nan 8.250 nan 0.000 0.491 578 K N 1.833 122.141 120.400 -0.154 0.000 2.143 578 K HA 0.073 4.391 4.320 -0.004 0.000 0.272 578 K C 0.266 176.769 176.600 -0.163 0.000 1.001 578 K CA -0.309 55.873 56.287 -0.176 0.000 0.915 578 K CB 1.062 33.373 32.500 -0.314 0.000 1.047 578 K HN 0.088 nan 8.250 nan 0.000 0.458 579 T N 0.211 114.697 114.554 -0.114 0.000 2.788 579 T HA 0.211 4.559 4.350 -0.004 0.000 0.287 579 T C 1.327 175.966 174.700 -0.102 0.000 1.007 579 T CA -0.076 61.968 62.100 -0.093 0.000 1.005 579 T CB 1.367 70.197 68.868 -0.063 0.000 1.012 579 T HN 0.562 nan 8.240 nan 0.000 0.530 580 A N 1.149 123.922 122.820 -0.078 0.000 1.978 580 A HA 0.146 4.464 4.320 -0.004 0.000 0.220 580 A C 2.561 180.115 177.584 -0.051 0.000 1.170 580 A CA 1.907 53.905 52.037 -0.064 0.000 0.636 580 A CB -1.420 17.556 19.000 -0.039 0.000 0.810 580 A HN 1.244 nan 8.150 nan 0.000 0.448 581 A N -1.282 121.511 122.820 -0.046 0.000 1.984 581 A HA -0.013 4.305 4.320 -0.004 0.000 0.214 581 A C 2.040 179.599 177.584 -0.042 0.000 1.173 581 A CA 1.075 53.091 52.037 -0.035 0.000 0.673 581 A CB -0.355 18.628 19.000 -0.028 0.000 0.830 581 A HN 0.588 nan 8.150 nan 0.000 0.453 582 Q N -0.381 119.385 119.800 -0.056 0.000 2.170 582 Q HA -0.117 4.221 4.340 -0.004 0.000 0.203 582 Q C 2.332 178.297 176.000 -0.060 0.000 0.976 582 Q CA 1.338 57.107 55.803 -0.057 0.000 0.858 582 Q CB -0.306 28.392 28.738 -0.066 0.000 0.907 582 Q HN 0.688 nan 8.270 nan 0.000 0.433 583 A N 0.884 123.650 122.820 -0.091 0.000 1.872 583 A HA -0.098 4.220 4.320 -0.004 0.000 0.214 583 A C 1.953 179.528 177.584 -0.015 0.000 1.187 583 A CA 0.773 52.759 52.037 -0.086 0.000 0.614 583 A CB -0.433 18.468 19.000 -0.165 0.000 0.826 583 A HN 0.273 nan 8.150 nan 0.000 0.442 584 I N 0.330 120.887 120.570 -0.022 0.000 2.567 584 I HA -0.207 3.961 4.170 -0.004 0.000 0.257 584 I C 1.875 177.989 176.117 -0.005 0.000 1.184 584 I CA 0.797 62.093 61.300 -0.007 0.000 1.451 584 I CB -0.683 37.315 38.000 -0.004 0.000 1.089 584 I HN 0.320 nan 8.210 nan 0.000 0.441 585 N N 1.054 119.746 118.700 -0.014 0.000 2.051 585 N HA -0.194 4.543 4.740 -0.004 0.000 0.192 585 N C 1.789 177.286 175.510 -0.021 0.000 1.049 585 N CA 1.197 54.232 53.050 -0.025 0.000 0.845 585 N CB -0.480 37.983 38.487 -0.040 0.000 1.031 585 N HN 0.345 nan 8.380 nan 0.000 0.425 586 Q N 0.704 120.504 119.800 0.000 0.000 1.967 586 Q HA -0.163 4.175 4.340 -0.004 0.000 0.210 586 Q C 2.063 178.099 176.000 0.059 0.000 1.005 586 Q CA 1.588 57.412 55.803 0.035 0.000 0.862 586 Q CB -0.013 28.804 28.738 0.133 0.000 0.939 586 Q HN 0.204 nan 8.270 nan 0.000 0.417 587 R N 0.171 120.718 120.500 0.078 0.000 2.140 587 R HA -0.187 4.151 4.340 -0.004 0.000 0.250 587 R C 1.803 178.131 176.300 0.047 0.000 1.150 587 R CA 1.663 57.801 56.100 0.064 0.000 0.966 587 R CB -0.715 29.602 30.300 0.029 0.000 0.869 587 R HN 0.424 nan 8.270 nan 0.000 0.445 588 N N 0.276 118.995 118.700 0.031 0.000 2.309 588 N HA -0.089 4.649 4.740 -0.004 0.000 0.182 588 N C 1.772 177.311 175.510 0.048 0.000 1.018 588 N CA 0.811 53.880 53.050 0.032 0.000 0.876 588 N CB -0.109 38.389 38.487 0.018 0.000 0.972 588 N HN 0.272 nan 8.380 nan 0.000 0.434 589 R N -0.039 120.484 120.500 0.040 0.000 2.062 589 R HA -0.033 4.304 4.340 -0.004 0.000 0.226 589 R C 2.286 178.705 176.300 0.199 0.000 1.125 589 R CA 1.601 57.747 56.100 0.076 0.000 0.966 589 R CB -0.498 29.734 30.300 -0.114 0.000 0.861 589 R HN 0.345 nan 8.270 nan 0.000 0.433 590 T N -1.143 113.504 114.554 0.156 0.000 2.788 590 T HA -0.190 4.158 4.350 -0.004 0.000 0.268 590 T C 1.741 176.507 174.700 0.111 0.000 1.044 590 T CA 1.497 63.690 62.100 0.155 0.000 1.139 590 T CB -0.138 68.805 68.868 0.125 0.000 0.867 590 T HN 0.298 nan 8.240 nan 0.000 0.454 591 E N 0.555 120.807 120.200 0.088 0.000 2.204 591 E HA -0.107 4.241 4.350 -0.004 0.000 0.195 591 E C 2.437 179.076 176.600 0.065 0.000 0.990 591 E CA 0.695 57.133 56.400 0.065 0.000 0.821 591 E CB -0.008 29.725 29.700 0.055 0.000 0.750 591 E HN 0.545 nan 8.360 nan 0.000 0.477 592 R N -0.393 120.158 120.500 0.085 0.000 2.210 592 R HA 0.096 4.434 4.340 -0.004 0.000 0.203 592 R C 2.262 178.594 176.300 0.054 0.000 1.010 592 R CA 0.126 56.270 56.100 0.074 0.000 1.008 592 R CB 0.095 30.451 30.300 0.094 0.000 0.923 592 R HN 0.240 nan 8.270 nan 0.000 0.469 593 L N 0.919 122.176 121.223 0.058 0.000 2.191 593 L HA -0.211 4.127 4.340 -0.004 0.000 0.212 593 L C 2.552 179.438 176.870 0.027 0.000 1.103 593 L CA 1.399 56.249 54.840 0.016 0.000 0.769 593 L CB -0.578 41.497 42.059 0.026 0.000 0.908 593 L HN 0.313 nan 8.230 nan 0.000 0.438 594 S N -0.237 115.484 115.700 0.035 0.000 2.378 594 S HA -0.308 4.159 4.470 -0.004 0.000 0.229 594 S C 1.593 176.210 174.600 0.030 0.000 1.052 594 S CA 1.944 60.158 58.200 0.024 0.000 1.084 594 S CB -0.522 62.690 63.200 0.019 0.000 0.950 594 S HN 0.444 nan 8.310 nan 0.000 0.440 595 D N 1.106 121.525 120.400 0.032 0.000 2.350 595 D HA 0.044 4.682 4.640 -0.004 0.000 0.216 595 D C 1.817 178.136 176.300 0.032 0.000 0.968 595 D CA 0.555 54.576 54.000 0.034 0.000 0.894 595 D CB -0.180 40.639 40.800 0.033 0.000 0.909 595 D HN 0.433 nan 8.370 nan 0.000 0.520 596 L N 0.069 121.310 121.223 0.030 0.000 2.291 596 L HA -0.045 4.293 4.340 -0.004 0.000 0.214 596 L C 1.931 178.842 176.870 0.067 0.000 1.120 596 L CA 0.576 55.439 54.840 0.039 0.000 0.799 596 L CB 0.013 42.083 42.059 0.017 0.000 0.925 596 L HN 0.039 nan 8.230 nan 0.000 0.446 597 L N -1.264 119.994 121.223 0.057 0.000 2.640 597 L HA 0.103 4.441 4.340 -0.004 0.000 0.230 597 L C 0.473 177.297 176.870 -0.076 0.000 1.123 597 L CA -0.350 54.514 54.840 0.040 0.000 0.900 597 L CB 0.063 42.181 42.059 0.097 0.000 1.146 597 L HN 0.106 nan 8.230 nan 0.000 0.484 598 D N -1.103 119.277 120.400 -0.034 0.000 2.368 598 D HA -0.078 4.560 4.640 -0.004 0.000 0.240 598 D C 0.787 177.042 176.300 -0.076 0.000 1.169 598 D CA 0.221 54.201 54.000 -0.034 0.000 0.906 598 D CB 0.701 41.531 40.800 0.050 0.000 1.187 598 D HN -0.004 nan 8.370 nan 0.000 0.435 599 W N 0.884 122.188 121.300 0.007 0.000 2.374 599 W HA -0.059 4.599 4.660 -0.003 0.000 0.288 599 W C 2.167 178.664 176.519 -0.037 0.000 1.218 599 W CA 0.230 57.549 57.345 -0.044 0.000 1.245 599 W CB -0.008 29.400 29.460 -0.087 0.000 1.126 599 W HN 0.445 nan 8.180 nan 0.000 0.545 600 K N -0.072 120.445 120.400 0.195 0.000 2.293 600 K HA -0.232 4.086 4.320 -0.004 0.000 0.204 600 K C 2.027 178.684 176.600 0.094 0.000 1.045 600 K CA 1.458 57.814 56.287 0.114 0.000 0.933 600 K CB -0.158 32.387 32.500 0.075 0.000 0.736 600 K HN 0.106 nan 8.250 nan 0.000 0.463 601 R N -0.704 119.849 120.500 0.088 0.000 2.221 601 R HA 0.147 4.485 4.340 -0.004 0.000 0.195 601 R C 1.704 178.057 176.300 0.090 0.000 0.956 601 R CA 0.178 56.324 56.100 0.077 0.000 1.064 601 R CB 0.348 30.684 30.300 0.060 0.000 1.049 601 R HN 0.083 nan 8.270 nan 0.000 0.534 602 M N -0.192 119.446 119.600 0.064 0.000 2.506 602 M HA 0.105 4.583 4.480 -0.004 0.000 0.260 602 M C 1.936 178.369 176.300 0.222 0.000 1.104 602 M CA 0.968 56.284 55.300 0.027 0.000 1.112 602 M CB -0.180 32.247 32.600 -0.288 0.000 1.401 602 M HN 0.241 nan 8.290 nan 0.000 0.473 603 G N 0.884 109.878 108.800 0.323 0.000 2.471 603 G HA2 -0.101 3.857 3.960 -0.004 0.000 0.219 603 G HA3 -0.101 3.857 3.960 -0.004 0.000 0.219 603 G C 1.547 176.581 174.900 0.223 0.000 1.125 603 G CA 0.241 45.505 45.100 0.273 0.000 0.775 603 G HN 0.407 nan 8.290 nan 0.000 0.548 604 L N 0.191 121.524 121.223 0.183 0.000 2.376 604 L HA 0.051 4.389 4.340 -0.004 0.000 0.219 604 L C 2.438 179.414 176.870 0.176 0.000 1.133 604 L CA 0.430 55.362 54.840 0.153 0.000 0.816 604 L CB -0.209 41.916 42.059 0.110 0.000 0.933 604 L HN 0.087 nan 8.230 nan 0.000 0.449 605 E N -0.278 120.054 120.200 0.221 0.000 2.216 605 E HA -0.132 4.216 4.350 -0.004 0.000 0.192 605 E C 2.016 178.757 176.600 0.236 0.000 0.988 605 E CA 1.098 57.617 56.400 0.199 0.000 0.834 605 E CB -0.121 29.681 29.700 0.171 0.000 0.772 605 E HN 0.541 nan 8.360 nan 0.000 0.479 606 Y N 0.084 120.458 120.300 0.122 0.000 2.220 606 Y HA -0.147 4.401 4.550 -0.004 0.000 0.291 606 Y C 2.413 178.392 175.900 0.133 0.000 1.129 606 Y CA 0.508 58.694 58.100 0.145 0.000 1.161 606 Y CB 0.062 38.616 38.460 0.158 0.000 0.997 606 Y HN -0.151 nan 8.280 nan 0.000 0.522 607 V N 0.473 120.559 119.914 0.286 0.000 2.332 607 V HA -0.338 3.780 4.120 -0.004 0.000 0.248 607 V C 2.016 178.202 176.094 0.154 0.000 1.055 607 V CA 1.903 64.332 62.300 0.214 0.000 1.038 607 V CB -0.517 31.406 31.823 0.167 0.000 0.651 607 V HN 0.377 nan 8.190 nan 0.000 0.450 608 K N 0.181 120.655 120.400 0.125 0.000 2.063 608 K HA -0.168 4.150 4.320 -0.004 0.000 0.208 608 K C 2.302 178.923 176.600 0.036 0.000 1.048 608 K CA 1.551 57.886 56.287 0.079 0.000 0.928 608 K CB -0.408 32.130 32.500 0.064 0.000 0.713 608 K HN 0.500 nan 8.250 nan 0.000 0.442 609 A N 1.707 124.537 122.820 0.016 0.000 1.873 609 A HA -0.156 4.161 4.320 -0.004 0.000 0.215 609 A C 2.089 179.636 177.584 -0.063 0.000 1.186 609 A CA 1.224 53.223 52.037 -0.064 0.000 0.616 609 A CB -0.374 18.537 19.000 -0.149 0.000 0.823 609 A HN 0.199 nan 8.150 nan 0.000 0.442 610 R N -0.513 119.989 120.500 0.003 0.000 2.073 610 R HA -0.134 4.204 4.340 -0.004 0.000 0.234 610 R C 2.464 178.759 176.300 -0.008 0.000 1.134 610 R CA 1.578 57.684 56.100 0.010 0.000 0.952 610 R CB -0.404 29.979 30.300 0.139 0.000 0.850 610 R HN 0.630 nan 8.270 nan 0.000 0.433 611 Q N 0.502 120.333 119.800 0.052 0.000 2.119 611 Q HA -0.145 4.193 4.340 -0.004 0.000 0.201 611 Q C 2.229 178.187 176.000 -0.070 0.000 0.972 611 Q CA 0.967 56.818 55.803 0.080 0.000 0.847 611 Q CB -0.147 28.708 28.738 0.195 0.000 0.903 611 Q HN 0.201 nan 8.270 nan 0.000 0.433 612 L N 0.772 121.941 121.223 -0.091 0.000 2.083 612 L HA -0.110 4.227 4.340 -0.004 0.000 0.209 612 L C 2.151 178.898 176.870 -0.204 0.000 1.083 612 L CA 1.916 56.653 54.840 -0.172 0.000 0.752 612 L CB -0.620 41.373 42.059 -0.109 0.000 0.899 612 L HN 0.086 nan 8.230 nan 0.000 0.433 613 A N -0.650 122.077 122.820 -0.154 0.000 1.972 613 A HA -0.133 4.185 4.320 -0.004 0.000 0.219 613 A C 2.227 179.686 177.584 -0.208 0.000 1.169 613 A CA 1.898 53.839 52.037 -0.160 0.000 0.635 613 A CB -0.725 18.199 19.000 -0.127 0.000 0.810 613 A HN 0.517 nan 8.150 nan 0.000 0.446 614 L N -1.264 119.847 121.223 -0.187 0.000 2.023 614 L HA -0.118 4.220 4.340 -0.004 0.000 0.205 614 L C 2.701 179.410 176.870 -0.269 0.000 1.073 614 L CA 1.551 56.304 54.840 -0.144 0.000 0.745 614 L CB -0.462 41.648 42.059 0.084 0.000 0.900 614 L HN 0.423 nan 8.230 nan 0.000 0.435 615 R N 0.762 120.855 120.500 -0.679 0.000 2.139 615 R HA -0.168 4.170 4.340 -0.004 0.000 0.243 615 R C 2.177 178.219 176.300 -0.431 0.000 1.145 615 R CA 1.558 57.041 56.100 -1.028 0.000 0.976 615 R CB -0.296 29.105 30.300 -1.498 0.000 0.866 615 R HN 0.218 nan 8.270 nan 0.000 0.449 616 R N -1.198 119.106 120.500 -0.328 0.000 2.200 616 R HA 0.105 4.443 4.340 -0.004 0.000 0.208 616 R C 2.025 178.191 176.300 -0.222 0.000 1.033 616 R CA 0.960 56.929 56.100 -0.219 0.000 1.000 616 R CB 0.009 30.204 30.300 -0.175 0.000 0.906 616 R HN 0.467 nan 8.270 nan 0.000 0.462 617 G N -0.733 107.860 108.800 -0.346 0.000 2.459 617 G HA2 -0.119 3.839 3.960 -0.004 0.000 0.213 617 G HA3 -0.119 3.839 3.960 -0.004 0.000 0.213 617 G C 0.418 175.005 174.900 -0.522 0.000 1.155 617 G CA 0.159 44.926 45.100 -0.554 0.000 0.811 617 G HN 0.272 nan 8.290 nan 0.000 0.534 618 Y N 0.278 120.588 120.300 0.017 0.000 2.470 618 Y HA 0.295 4.842 4.550 -0.004 0.000 0.352 618 Y C -1.731 174.218 175.900 0.082 0.000 0.967 618 Y CA -1.992 56.142 58.100 0.057 0.000 1.121 618 Y CB 1.726 40.241 38.460 0.091 0.000 1.149 618 Y HN 0.071 nan 8.280 nan 0.000 0.641 619 P HA -0.188 nan 4.420 nan 0.000 0.216 619 P C 0.882 178.281 177.300 0.166 0.000 1.150 619 P CA 1.723 64.883 63.100 0.100 0.000 0.843 619 P CB 0.486 32.214 31.700 0.047 0.000 0.787 620 D N -0.649 119.843 120.400 0.154 0.000 2.085 620 D HA -0.131 4.507 4.640 -0.004 0.000 0.199 620 D C 2.106 178.494 176.300 0.147 0.000 0.981 620 D CA 1.101 55.178 54.000 0.128 0.000 0.834 620 D CB -0.758 40.098 40.800 0.093 0.000 0.992 620 D HN 0.294 nan 8.370 nan 0.000 0.457 621 Q N -0.378 119.522 119.800 0.165 0.000 2.234 621 Q HA -0.163 4.175 4.340 -0.004 0.000 0.206 621 Q C 2.094 178.189 176.000 0.160 0.000 0.980 621 Q CA 0.745 56.627 55.803 0.131 0.000 0.869 621 Q CB -0.248 28.552 28.738 0.103 0.000 0.912 621 Q HN 0.284 nan 8.270 nan 0.000 0.436 622 F N 1.377 121.382 119.950 0.093 0.000 2.146 622 F HA -0.139 4.386 4.527 -0.004 0.000 0.298 622 F C 2.613 178.445 175.800 0.053 0.000 1.096 622 F CA 1.247 59.293 58.000 0.077 0.000 1.275 622 F CB 0.050 39.094 39.000 0.073 0.000 1.008 622 F HN -0.117 nan 8.300 nan 0.000 0.480 623 R N 0.522 121.147 120.500 0.208 0.000 2.103 623 R HA -0.187 4.150 4.340 -0.004 0.000 0.242 623 R C 2.169 178.482 176.300 0.021 0.000 1.142 623 R CA 1.994 58.161 56.100 0.112 0.000 0.960 623 R CB -0.309 30.055 30.300 0.107 0.000 0.858 623 R HN 0.278 nan 8.270 nan 0.000 0.439 624 E N 0.531 120.740 120.200 0.015 0.000 2.058 624 E HA -0.239 4.109 4.350 -0.004 0.000 0.194 624 E C 2.033 178.600 176.600 -0.055 0.000 0.997 624 E CA 1.038 57.431 56.400 -0.011 0.000 0.801 624 E CB -0.389 29.311 29.700 -0.000 0.000 0.746 624 E HN 0.320 nan 8.360 nan 0.000 0.450 625 L N 0.495 121.651 121.223 -0.112 0.000 2.291 625 L HA -0.085 4.253 4.340 -0.004 0.000 0.214 625 L C 2.059 178.813 176.870 -0.193 0.000 1.120 625 L CA 0.768 55.508 54.840 -0.166 0.000 0.799 625 L CB 0.298 42.210 42.059 -0.244 0.000 0.925 625 L HN -0.099 nan 8.230 nan 0.000 0.446 626 V N -1.589 118.206 119.914 -0.199 0.000 3.379 626 V HA 0.385 4.503 4.120 -0.004 0.000 0.249 626 V C 1.596 177.658 176.094 -0.054 0.000 1.184 626 V CA 0.733 62.946 62.300 -0.145 0.000 1.106 626 V CB 0.244 31.976 31.823 -0.151 0.000 0.826 626 V HN 0.502 nan 8.190 nan 0.000 0.465 627 G N 1.299 110.080 108.800 -0.033 0.000 2.157 627 G HA2 -0.182 3.775 3.960 -0.004 0.000 0.239 627 G HA3 -0.182 3.775 3.960 -0.004 0.000 0.239 627 G C 0.091 174.997 174.900 0.011 0.000 0.982 627 G CA 0.484 45.579 45.100 -0.009 0.000 0.650 627 G HN 0.687 nan 8.290 nan 0.000 0.527 628 E N -0.929 119.287 120.200 0.026 0.000 2.281 628 E HA 0.487 4.835 4.350 -0.004 0.000 0.255 628 E C -1.003 175.640 176.600 0.072 0.000 1.229 628 E CA -0.666 55.759 56.400 0.042 0.000 0.908 628 E CB 0.157 29.880 29.700 0.039 0.000 1.670 628 E HN 0.493 nan 8.360 nan 0.000 0.480 629 E N 1.549 121.793 120.200 0.073 0.000 2.145 629 E HA 0.503 4.851 4.350 -0.004 0.000 0.262 629 E C -0.740 175.914 176.600 0.089 0.000 0.883 629 E CA -0.728 55.729 56.400 0.095 0.000 0.748 629 E CB 1.219 30.962 29.700 0.072 0.000 1.140 629 E HN 0.329 nan 8.360 nan 0.000 0.417 630 L N 2.518 123.816 121.223 0.126 0.000 2.421 630 L HA 0.294 4.632 4.340 -0.004 0.000 0.263 630 L C 0.613 177.516 176.870 0.055 0.000 1.122 630 L CA -1.062 53.840 54.840 0.102 0.000 0.804 630 L CB 0.750 42.904 42.059 0.158 0.000 1.150 630 L HN 0.608 nan 8.230 nan 0.000 0.457 631 N N 1.240 119.962 118.700 0.035 0.000 2.513 631 N HA -0.014 4.724 4.740 -0.004 0.000 0.268 631 N C -0.504 174.995 175.510 -0.018 0.000 1.180 631 N CA -0.120 52.936 53.050 0.010 0.000 0.948 631 N CB 0.695 39.190 38.487 0.014 0.000 1.083 631 N HN 0.579 nan 8.380 nan 0.000 0.455 632 D N 0.090 120.469 120.400 -0.035 0.000 2.788 632 D HA 0.134 4.772 4.640 -0.004 0.000 0.289 632 D C -0.154 176.117 176.300 -0.048 0.000 1.340 632 D CA -0.311 53.648 54.000 -0.069 0.000 0.831 632 D CB -0.570 40.167 40.800 -0.103 0.000 1.103 632 D HN 0.343 nan 8.370 nan 0.000 0.476 633 S N -0.862 114.823 115.700 -0.026 0.000 2.514 633 S HA 0.199 4.667 4.470 -0.004 0.000 0.223 633 S C 0.717 175.312 174.600 -0.009 0.000 1.046 633 S CA -0.231 57.960 58.200 -0.014 0.000 0.914 633 S CB 0.180 63.379 63.200 -0.003 0.000 0.807 633 S HN 0.157 nan 8.310 nan 0.000 0.497 634 N N 0.627 119.321 118.700 -0.010 0.000 2.761 634 N HA 0.485 5.223 4.740 -0.004 0.000 0.283 634 N C 0.338 175.839 175.510 -0.016 0.000 1.377 634 N CA -0.671 52.374 53.050 -0.009 0.000 0.791 634 N CB 0.737 39.226 38.487 0.003 0.000 1.540 634 N HN 0.049 nan 8.380 nan 0.000 0.539 635 M N -0.431 119.160 119.600 -0.015 0.000 2.447 635 M HA 0.087 4.565 4.480 -0.004 0.000 0.264 635 M C 0.139 176.446 176.300 0.012 0.000 1.095 635 M CA 0.952 56.246 55.300 -0.010 0.000 1.125 635 M CB -0.080 32.510 32.600 -0.017 0.000 1.389 635 M HN 0.299 nan 8.290 nan 0.000 0.459 636 D N 1.284 121.693 120.400 0.015 0.000 2.183 636 D HA 0.064 4.702 4.640 -0.004 0.000 0.205 636 D C 2.163 178.477 176.300 0.024 0.000 0.962 636 D CA 1.165 55.180 54.000 0.026 0.000 0.849 636 D CB -0.018 40.798 40.800 0.027 0.000 0.978 636 D HN 0.283 nan 8.370 nan 0.000 0.488 637 A N 0.550 123.380 122.820 0.017 0.000 2.024 637 A HA -0.156 4.162 4.320 -0.004 0.000 0.220 637 A C 2.100 179.697 177.584 0.021 0.000 1.164 637 A CA 0.978 53.024 52.037 0.016 0.000 0.643 637 A CB -0.514 18.491 19.000 0.009 0.000 0.806 637 A HN 0.242 nan 8.150 nan 0.000 0.451 638 L N -1.336 119.899 121.223 0.019 0.000 2.049 638 L HA 0.306 4.644 4.340 -0.004 0.000 0.203 638 L C 1.388 178.294 176.870 0.060 0.000 1.074 638 L CA 1.703 56.564 54.840 0.035 0.000 0.749 638 L CB -0.463 41.607 42.059 0.019 0.000 0.907 638 L HN 0.387 nan 8.230 nan 0.000 0.439 639 A N 0.000 122.853 122.820 0.056 0.000 2.254 639 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 639 A CA 0.000 52.073 52.037 0.059 0.000 0.836 639 A CB 0.000 19.041 19.000 0.069 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486