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 3nb0_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 NVIKFQAFHE FQNLHALKKE KINDFVRGHF DATA SEQUENCE HGCFDFDLDN TLYFFIAGRY EYKNKGADMF IEALARLNYR LKVSGSKKTV DATA SEQUENCE VAFIVMPAKN NSFTVEALKG QAEVRALENT VHEVTTSIGK RIFDHAIRYP DATA SEQUENCE HNGLTTELPT DLGELLKSSD KVMLKRRILA LRRPEGQLPP IVTHNMVDDA DATA SEQUENCE NDLILNKIRQ VQLFNSPSDR VKMIFHPEFL NANNPILGLD YDEFVRGCHL DATA SEQUENCE GVFPSYYEPW GYTPAECTVM GVPSITTNVS GFGSYMEDLI ETNQAKDYGI DATA SEQUENCE YIVDRRFKAP DESVEQLVDY MEEFVKKTRR QRINQRNATE ALSDLLDWKR DATA SEQUENCE MGLEYVKARQ LALRRGYPDQ FRELVGEELN DSNMDALA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.548 174.600 -0.086 0.000 1.055 2 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 2 S CB 0.000 63.183 63.200 -0.029 0.000 0.593 3 R N 0.934 121.334 120.500 -0.166 0.000 2.787 3 R HA 0.530 4.870 4.340 -0.000 0.000 0.271 3 R C -1.038 175.181 176.300 -0.135 0.000 0.993 3 R CA -0.934 55.072 56.100 -0.158 0.000 0.993 3 R CB 0.876 31.061 30.300 -0.191 0.000 1.155 3 R HN 0.450 nan 8.270 nan 0.000 0.486 4 D N 1.924 122.301 120.400 -0.039 0.000 2.317 4 D HA 0.060 4.699 4.640 -0.000 0.000 0.252 4 D C 0.732 177.099 176.300 0.111 0.000 1.174 4 D CA 0.111 54.130 54.000 0.031 0.000 0.866 4 D CB 0.995 41.832 40.800 0.063 0.000 1.127 4 D HN 0.409 nan 8.370 nan 0.000 0.467 5 L N 2.794 124.089 121.223 0.121 0.000 2.478 5 L HA -0.067 4.273 4.340 -0.000 0.000 0.223 5 L C 1.897 178.970 176.870 0.339 0.000 1.140 5 L CA 0.433 55.424 54.840 0.252 0.000 0.842 5 L CB -0.025 42.201 42.059 0.279 0.000 0.953 5 L HN 0.403 nan 8.230 nan 0.000 0.452 6 Q N 0.369 120.287 119.800 0.197 0.000 2.019 6 Q HA -0.006 4.334 4.340 -0.000 0.000 0.195 6 Q C 0.970 176.997 176.000 0.046 0.000 0.981 6 Q CA 0.800 56.673 55.803 0.117 0.000 0.832 6 Q CB 0.150 28.921 28.738 0.054 0.000 0.902 6 Q HN 0.167 nan 8.270 nan 0.000 0.461 7 N N 1.550 120.305 118.700 0.091 0.000 2.605 7 N HA 0.005 4.745 4.740 -0.000 0.000 0.258 7 N C -1.223 174.467 175.510 0.301 0.000 1.156 7 N CA -0.003 53.133 53.050 0.143 0.000 1.008 7 N CB -0.189 38.436 38.487 0.230 0.000 1.354 7 N HN 0.366 nan 8.380 nan 0.000 0.509 8 H N 0.746 120.006 119.070 0.317 0.000 2.858 8 H HA 0.556 5.112 4.556 -0.000 0.000 0.318 8 H C -0.821 174.661 175.328 0.256 0.000 1.419 8 H CA -0.965 55.262 56.048 0.299 0.000 1.373 8 H CB 0.749 30.669 29.762 0.265 0.000 1.915 8 H HN 0.091 nan 8.280 nan 0.000 0.704 9 L N 0.297 121.770 121.223 0.417 0.000 2.331 9 L HA 0.376 4.716 4.340 -0.000 0.000 0.268 9 L C -0.809 176.151 176.870 0.151 0.000 1.015 9 L CA -0.922 54.011 54.840 0.156 0.000 0.807 9 L CB 1.646 43.681 42.059 -0.039 0.000 1.293 9 L HN 0.547 nan 8.230 nan 0.000 0.451 10 L N 0.988 122.060 121.223 -0.251 0.000 2.476 10 L HA 0.599 4.939 4.340 -0.000 0.000 0.269 10 L C -1.802 174.745 176.870 -0.538 0.000 0.965 10 L CA -0.088 54.569 54.840 -0.304 0.000 0.845 10 L CB 1.391 43.119 42.059 -0.552 0.000 1.259 10 L HN 0.244 nan 8.230 nan 0.000 0.403 11 F N 2.857 122.753 119.950 -0.090 0.000 2.482 11 F HA 0.580 5.107 4.527 -0.000 0.000 0.331 11 F C 0.140 175.802 175.800 -0.229 0.000 1.115 11 F CA -0.458 57.426 58.000 -0.193 0.000 0.955 11 F CB 2.006 40.928 39.000 -0.130 0.000 1.136 11 F HN 0.467 nan 8.300 nan 0.000 0.452 12 E N 1.671 121.800 120.200 -0.117 0.000 2.165 12 E HA 0.512 4.862 4.350 -0.000 0.000 0.266 12 E C -1.274 175.242 176.600 -0.140 0.000 0.889 12 E CA -0.474 55.876 56.400 -0.085 0.000 0.756 12 E CB 1.364 31.082 29.700 0.030 0.000 1.131 12 E HN 0.582 nan 8.360 nan 0.000 0.411 13 T N 1.946 116.396 114.554 -0.174 0.000 2.856 13 T HA 0.839 5.188 4.350 -0.000 0.000 0.283 13 T C -1.036 173.725 174.700 0.103 0.000 1.008 13 T CA -0.564 61.484 62.100 -0.087 0.000 0.997 13 T CB 1.577 70.381 68.868 -0.108 0.000 0.992 13 T HN 0.551 nan 8.240 nan 0.000 0.454 14 A N 1.499 124.355 122.820 0.060 0.000 2.597 14 A HA 0.610 4.930 4.320 -0.000 0.000 0.292 14 A C 0.859 178.445 177.584 0.003 0.000 1.057 14 A CA -0.683 51.400 52.037 0.077 0.000 0.674 14 A CB 0.436 19.465 19.000 0.048 0.000 1.278 14 A HN 0.600 nan 8.150 nan 0.000 0.416 15 T N 0.249 114.803 114.554 -0.000 0.000 2.867 15 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 15 T C 1.035 175.722 174.700 -0.022 0.000 1.057 15 T CA 2.280 64.365 62.100 -0.025 0.000 1.136 15 T CB -0.122 68.716 68.868 -0.049 0.000 0.874 15 T HN 0.658 nan 8.240 nan 0.000 0.466 16 E N 0.621 120.818 120.200 -0.005 0.000 2.403 16 E HA 0.123 4.473 4.350 -0.000 0.000 0.187 16 E C 1.461 178.074 176.600 0.021 0.000 1.073 16 E CA -0.189 56.248 56.400 0.061 0.000 0.888 16 E CB -0.018 29.752 29.700 0.117 0.000 1.035 16 E HN 0.173 nan 8.360 nan 0.000 0.471 17 V N -0.075 119.752 119.914 -0.146 0.000 3.026 17 V HA -0.162 3.958 4.120 -0.000 0.000 0.265 17 V C 1.381 176.990 176.094 -0.807 0.000 1.121 17 V CA 1.820 63.867 62.300 -0.421 0.000 1.142 17 V CB -0.087 31.501 31.823 -0.391 0.000 0.730 17 V HN 0.460 nan 8.190 nan 0.000 0.503 18 A N 0.116 122.717 122.820 -0.365 0.000 2.709 18 A HA 0.256 4.576 4.320 -0.000 0.000 0.212 18 A C 0.329 178.028 177.584 0.193 0.000 1.280 18 A CA 0.073 51.943 52.037 -0.279 0.000 1.034 18 A CB -0.023 18.738 19.000 -0.399 0.000 1.255 18 A HN 0.651 nan 8.150 nan 0.000 0.547 19 N N -0.378 118.442 118.700 0.199 0.000 2.407 19 N HA 0.467 5.206 4.740 -0.000 0.000 0.277 19 N C -0.439 175.144 175.510 0.122 0.000 0.995 19 N CA -0.654 52.487 53.050 0.152 0.000 0.903 19 N CB 1.298 39.821 38.487 0.060 0.000 1.218 19 N HN 0.172 nan 8.380 nan 0.000 0.487 20 R N 2.798 123.174 120.500 -0.207 0.000 2.413 20 R HA 0.077 4.417 4.340 -0.000 0.000 0.333 20 R C -0.194 175.984 176.300 -0.204 0.000 1.074 20 R CA -0.031 55.737 56.100 -0.553 0.000 0.982 20 R CB 0.162 29.916 30.300 -0.910 0.000 0.981 20 R HN 0.672 nan 8.270 nan 0.000 0.452 21 V N 3.193 123.065 119.914 -0.070 0.000 2.599 21 V HA 0.308 4.428 4.120 -0.000 0.000 0.237 21 V C 1.099 177.171 176.094 -0.036 0.000 1.081 21 V CA 1.163 63.442 62.300 -0.035 0.000 1.107 21 V CB 0.473 32.300 31.823 0.006 0.000 0.808 21 V HN 0.867 nan 8.190 nan 0.000 0.486 22 G N -1.373 107.418 108.800 -0.015 0.000 3.021 22 G HA2 0.474 4.434 3.960 -0.000 0.000 0.290 22 G HA3 0.474 4.434 3.960 -0.000 0.000 0.290 22 G C 0.796 175.663 174.900 -0.055 0.000 1.291 22 G CA 0.223 45.305 45.100 -0.030 0.000 0.834 22 G HN 0.265 nan 8.290 nan 0.000 0.564 23 G N -0.374 108.361 108.800 -0.108 0.000 2.479 23 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.220 23 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.220 23 G C 1.536 176.423 174.900 -0.022 0.000 1.115 23 G CA 1.040 45.990 45.100 -0.250 0.000 0.757 23 G HN 0.437 nan 8.290 nan 0.000 0.560 24 I N -0.878 119.679 120.570 -0.021 0.000 2.315 24 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 24 I C 2.371 178.488 176.117 -0.000 0.000 1.117 24 I CA 0.967 62.203 61.300 -0.107 0.000 1.404 24 I CB -0.318 37.542 38.000 -0.233 0.000 1.071 24 I HN 0.265 nan 8.210 nan 0.000 0.419 25 Y N 2.089 122.364 120.300 -0.042 0.000 2.114 25 Y HA -0.406 4.144 4.550 -0.000 0.000 0.282 25 Y C 2.901 178.809 175.900 0.013 0.000 1.165 25 Y CA 2.267 60.394 58.100 0.044 0.000 1.148 25 Y CB -0.273 38.213 38.460 0.044 0.000 0.972 25 Y HN 0.262 nan 8.280 nan 0.000 0.504 26 S N -1.132 114.692 115.700 0.206 0.000 2.402 26 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 26 S C 1.872 176.505 174.600 0.055 0.000 1.021 26 S CA 1.225 59.484 58.200 0.098 0.000 0.974 26 S CB -0.984 62.255 63.200 0.065 0.000 0.800 26 S HN 0.277 nan 8.310 nan 0.000 0.484 27 V N 2.053 122.025 119.914 0.096 0.000 2.283 27 V HA -0.050 4.070 4.120 -0.000 0.000 0.243 27 V C 2.614 178.690 176.094 -0.030 0.000 1.039 27 V CA 1.729 64.122 62.300 0.155 0.000 1.016 27 V CB -0.783 31.151 31.823 0.184 0.000 0.650 27 V HN 0.463 nan 8.190 nan 0.000 0.449 28 L N -0.024 121.118 121.223 -0.136 0.000 2.083 28 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 28 L C 2.601 179.332 176.870 -0.233 0.000 1.083 28 L CA 1.968 56.697 54.840 -0.183 0.000 0.752 28 L CB -0.608 41.409 42.059 -0.071 0.000 0.899 28 L HN 0.364 nan 8.230 nan 0.000 0.433 29 K N 0.423 120.594 120.400 -0.382 0.000 2.026 29 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 29 K C 2.245 178.591 176.600 -0.425 0.000 1.048 29 K CA 1.859 57.733 56.287 -0.687 0.000 0.929 29 K CB -0.032 31.924 32.500 -0.907 0.000 0.713 29 K HN 0.331 nan 8.250 nan 0.000 0.439 30 S N 0.189 115.755 115.700 -0.223 0.000 2.481 30 S HA -0.069 4.400 4.470 -0.000 0.000 0.231 30 S C 1.809 176.249 174.600 -0.267 0.000 0.996 30 S CA 0.840 59.002 58.200 -0.062 0.000 0.942 30 S CB 0.020 63.355 63.200 0.225 0.000 0.768 30 S HN 0.318 nan 8.310 nan 0.000 0.520 31 K N 1.096 121.121 120.400 -0.625 0.000 2.361 31 K HA 0.309 4.629 4.320 -0.000 0.000 0.196 31 K C 2.172 178.313 176.600 -0.764 0.000 1.039 31 K CA 0.575 56.096 56.287 -1.277 0.000 1.001 31 K CB -0.396 31.208 32.500 -1.493 0.000 0.795 31 K HN 0.382 nan 8.250 nan 0.000 0.495 32 A N 2.373 124.896 122.820 -0.493 0.000 1.869 32 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 32 A C -0.671 176.706 177.584 -0.344 0.000 1.203 32 A CA 1.564 53.385 52.037 -0.360 0.000 0.638 32 A CB -1.670 17.177 19.000 -0.254 0.000 0.831 32 A HN 0.263 nan 8.150 nan 0.000 0.450 33 P HA -0.162 nan 4.420 nan 0.000 0.216 33 P C 1.504 178.669 177.300 -0.226 0.000 1.153 33 P CA 1.212 64.183 63.100 -0.216 0.000 0.858 33 P CB -0.088 31.512 31.700 -0.167 0.000 0.789 34 I N -0.788 119.613 120.570 -0.281 0.000 2.394 34 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 34 I C 2.016 177.972 176.117 -0.268 0.000 1.136 34 I CA 1.978 63.133 61.300 -0.242 0.000 1.425 34 I CB -1.012 36.846 38.000 -0.235 0.000 1.079 34 I HN 0.020 nan 8.210 nan 0.000 0.425 35 T N -3.239 111.085 114.554 -0.385 0.000 3.009 35 T HA 0.015 4.365 4.350 -0.000 0.000 0.258 35 T C 1.825 176.327 174.700 -0.330 0.000 1.063 35 T CA 1.039 62.910 62.100 -0.382 0.000 1.139 35 T CB -0.704 67.756 68.868 -0.680 0.000 0.890 35 T HN 0.069 nan 8.240 nan 0.000 0.471 36 V N 1.898 121.607 119.914 -0.342 0.000 2.809 36 V HA 0.105 4.225 4.120 -0.000 0.000 0.256 36 V C 3.171 179.182 176.094 -0.137 0.000 1.080 36 V CA 1.296 63.476 62.300 -0.199 0.000 1.102 36 V CB -1.174 30.556 31.823 -0.154 0.000 0.705 36 V HN 0.691 nan 8.190 nan 0.000 0.475 37 A N -0.716 122.010 122.820 -0.156 0.000 2.015 37 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 37 A C 2.219 179.710 177.584 -0.155 0.000 1.163 37 A CA 1.854 53.810 52.037 -0.135 0.000 0.646 37 A CB -0.268 18.656 19.000 -0.127 0.000 0.806 37 A HN 0.598 nan 8.150 nan 0.000 0.448 38 Q N -2.066 117.621 119.800 -0.188 0.000 2.107 38 Q HA -0.066 4.274 4.340 -0.000 0.000 0.195 38 Q C 1.559 177.332 176.000 -0.378 0.000 0.964 38 Q CA 1.104 56.723 55.803 -0.305 0.000 0.833 38 Q CB -0.096 28.401 28.738 -0.402 0.000 0.910 38 Q HN 0.693 nan 8.270 nan 0.000 0.465 39 Y N 0.761 120.959 120.300 -0.170 0.000 2.490 39 Y HA 0.039 4.589 4.550 -0.000 0.000 0.285 39 Y C 1.125 176.938 175.900 -0.144 0.000 1.117 39 Y CA 0.600 58.620 58.100 -0.134 0.000 1.262 39 Y CB 0.516 38.969 38.460 -0.012 0.000 1.043 39 Y HN 0.059 nan 8.280 nan 0.000 0.553 40 K N -0.347 120.048 120.400 -0.008 0.000 9.075 40 K HA -0.342 3.977 4.320 -0.000 0.000 0.427 40 K C 0.408 177.022 176.600 0.023 0.000 0.528 40 K CA 2.246 58.512 56.287 -0.035 0.000 1.510 40 K CB -1.703 30.738 32.500 -0.098 0.000 0.798 40 K HN 0.530 nan 8.250 nan 0.000 1.089 41 D N 0.053 120.502 120.400 0.082 0.000 2.503 41 D HA 0.128 4.768 4.640 -0.000 0.000 0.218 41 D C 0.929 177.388 176.300 0.265 0.000 1.183 41 D CA -0.079 53.992 54.000 0.118 0.000 0.827 41 D CB -0.047 40.824 40.800 0.119 0.000 1.034 41 D HN 0.365 nan 8.370 nan 0.000 0.510 42 H N -0.640 118.470 119.070 0.066 0.000 2.539 42 H HA 0.221 4.777 4.556 -0.000 0.000 0.267 42 H C -0.962 174.360 175.328 -0.010 0.000 0.982 42 H CA -0.209 55.874 56.048 0.059 0.000 1.146 42 H CB -0.386 29.447 29.762 0.117 0.000 1.382 42 H HN 0.310 nan 8.280 nan 0.000 0.577 43 Y N 0.345 120.585 120.300 -0.098 0.000 2.393 43 Y HA 0.450 5.000 4.550 -0.000 0.000 0.341 43 Y C -1.061 174.583 175.900 -0.427 0.000 0.988 43 Y CA -1.145 56.763 58.100 -0.321 0.000 1.078 43 Y CB 0.924 39.218 38.460 -0.278 0.000 1.203 43 Y HN 0.058 nan 8.280 nan 0.000 0.453 44 H N 4.434 122.873 119.070 -1.051 0.000 2.930 44 H HA 0.558 5.114 4.556 -0.000 0.000 0.371 44 H C -1.460 173.383 175.328 -0.808 0.000 1.169 44 H CA -0.710 54.910 56.048 -0.714 0.000 1.157 44 H CB 1.915 31.566 29.762 -0.184 0.000 1.789 44 H HN 0.677 nan 8.280 nan 0.000 0.547 45 L N 3.405 124.343 121.223 -0.476 0.000 2.307 45 L HA 0.516 4.856 4.340 -0.000 0.000 0.284 45 L C -0.626 176.049 176.870 -0.325 0.000 1.023 45 L CA -0.417 54.194 54.840 -0.382 0.000 0.810 45 L CB 1.180 43.031 42.059 -0.346 0.000 1.231 45 L HN 0.426 nan 8.230 nan 0.000 0.423 46 I N 2.122 122.524 120.570 -0.279 0.000 2.433 46 I HA 0.760 4.929 4.170 -0.000 0.000 0.292 46 I C 0.239 176.220 176.117 -0.227 0.000 1.001 46 I CA -0.310 60.806 61.300 -0.306 0.000 1.119 46 I CB 1.970 39.810 38.000 -0.266 0.000 1.289 46 I HN 0.662 nan 8.210 nan 0.000 0.438 47 G N 5.395 114.043 108.800 -0.254 0.000 2.646 47 G HA2 0.587 4.547 3.960 -0.000 0.000 0.291 47 G HA3 0.587 4.547 3.960 -0.000 0.000 0.291 47 G C -3.311 171.515 174.900 -0.124 0.000 1.445 47 G CA -1.251 43.752 45.100 -0.161 0.000 0.814 47 G HN 0.192 nan 8.290 nan 0.000 0.495 48 P HA 0.254 nan 4.420 nan 0.000 0.271 48 P C -0.159 177.098 177.300 -0.072 0.000 1.216 48 P CA -0.455 62.638 63.100 -0.012 0.000 0.771 48 P CB 0.971 32.678 31.700 0.013 0.000 0.864 49 L N 3.837 125.012 121.223 -0.080 0.000 2.407 49 L HA 0.199 4.539 4.340 -0.000 0.000 0.282 49 L C 0.278 177.103 176.870 -0.075 0.000 1.110 49 L CA 0.031 54.772 54.840 -0.164 0.000 0.863 49 L CB -0.912 40.999 42.059 -0.247 0.000 1.207 49 L HN 0.189 nan 8.230 nan 0.000 0.454 50 N N 4.073 122.765 118.700 -0.015 0.000 2.605 50 N HA 0.044 4.784 4.740 -0.000 0.000 0.258 50 N C 0.873 176.511 175.510 0.213 0.000 1.156 50 N CA 0.259 53.354 53.050 0.074 0.000 1.008 50 N CB 0.243 38.775 38.487 0.075 0.000 1.354 50 N HN 0.600 nan 8.380 nan 0.000 0.509 51 K N 1.278 121.785 120.400 0.178 0.000 2.160 51 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 51 K C 1.400 178.159 176.600 0.265 0.000 1.047 51 K CA 1.461 57.940 56.287 0.320 0.000 0.930 51 K CB 0.032 32.633 32.500 0.168 0.000 0.720 51 K HN 0.545 nan 8.250 nan 0.000 0.450 52 A N 0.650 123.553 122.820 0.138 0.000 2.066 52 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 52 A C 2.047 179.645 177.584 0.024 0.000 1.157 52 A CA 1.959 54.032 52.037 0.061 0.000 0.670 52 A CB -0.289 18.733 19.000 0.037 0.000 0.804 52 A HN 0.498 nan 8.150 nan 0.000 0.453 53 T N -4.837 109.751 114.554 0.057 0.000 3.057 53 T HA -0.023 4.327 4.350 -0.000 0.000 0.254 53 T C 1.761 176.445 174.700 -0.026 0.000 0.965 53 T CA 0.716 62.823 62.100 0.011 0.000 0.978 53 T CB -0.881 68.012 68.868 0.041 0.000 1.169 53 T HN 0.595 nan 8.240 nan 0.000 0.489 54 Y N 2.373 122.674 120.300 0.002 0.000 2.332 54 Y HA -0.129 4.421 4.550 -0.000 0.000 0.283 54 Y C 2.149 178.052 175.900 0.006 0.000 1.186 54 Y CA 1.484 59.579 58.100 -0.010 0.000 1.266 54 Y CB -0.949 37.485 38.460 -0.044 0.000 0.973 54 Y HN 0.263 nan 8.280 nan 0.000 0.548 55 Q N 0.441 119.734 119.800 -0.846 0.000 2.291 55 Q HA -0.111 4.229 4.340 -0.000 0.000 0.205 55 Q C 1.161 177.025 176.000 -0.226 0.000 0.970 55 Q CA 1.160 56.578 55.803 -0.642 0.000 0.876 55 Q CB -0.166 28.202 28.738 -0.617 0.000 0.935 55 Q HN 0.678 nan 8.270 nan 0.000 0.455 56 N N 0.155 118.774 118.700 -0.136 0.000 2.392 56 N HA -0.036 4.704 4.740 -0.000 0.000 0.177 56 N C 1.203 176.732 175.510 0.031 0.000 1.066 56 N CA 0.562 53.588 53.050 -0.041 0.000 0.895 56 N CB 0.289 38.759 38.487 -0.029 0.000 0.988 56 N HN 0.274 nan 8.380 nan 0.000 0.457 57 E N 0.462 120.706 120.200 0.074 0.000 2.201 57 E HA 0.117 4.467 4.350 -0.000 0.000 0.193 57 E C 0.204 176.938 176.600 0.223 0.000 0.957 57 E CA 0.286 56.811 56.400 0.208 0.000 0.858 57 E CB 0.863 30.730 29.700 0.279 0.000 0.816 57 E HN 0.001 nan 8.360 nan 0.000 0.475 58 V N 2.109 122.101 119.914 0.130 0.000 2.630 58 V HA 0.138 4.258 4.120 -0.000 0.000 0.305 58 V C -0.157 175.988 176.094 0.084 0.000 1.046 58 V CA -0.793 61.574 62.300 0.113 0.000 0.934 58 V CB 1.822 33.720 31.823 0.126 0.000 1.003 58 V HN -0.043 nan 8.190 nan 0.000 0.451 59 D N 3.483 123.925 120.400 0.070 0.000 2.524 59 D HA 0.274 4.914 4.640 -0.000 0.000 0.222 59 D C 0.199 176.541 176.300 0.069 0.000 1.142 59 D CA -0.299 53.735 54.000 0.057 0.000 0.973 59 D CB 0.009 40.835 40.800 0.043 0.000 1.025 59 D HN 0.422 nan 8.370 nan 0.000 0.519 60 I N 3.764 124.392 120.570 0.097 0.000 2.742 60 I HA -0.079 4.091 4.170 -0.000 0.000 0.287 60 I C 0.551 176.753 176.117 0.143 0.000 1.186 60 I CA 0.465 61.847 61.300 0.135 0.000 1.417 60 I CB 0.265 38.366 38.000 0.167 0.000 1.377 60 I HN 0.181 nan 8.210 nan 0.000 0.556 61 L N 5.649 126.988 121.223 0.194 0.000 2.303 61 L HA 0.400 4.740 4.340 -0.000 0.000 0.266 61 L C -0.093 176.960 176.870 0.305 0.000 1.011 61 L CA -0.869 54.105 54.840 0.223 0.000 0.818 61 L CB 1.577 43.776 42.059 0.235 0.000 1.326 61 L HN 0.443 nan 8.230 nan 0.000 0.435 62 D N 1.008 121.548 120.400 0.233 0.000 2.422 62 D HA 0.045 4.685 4.640 -0.000 0.000 0.227 62 D C 0.715 177.139 176.300 0.207 0.000 1.190 62 D CA -0.399 53.724 54.000 0.204 0.000 0.905 62 D CB 0.513 41.362 40.800 0.082 0.000 1.034 62 D HN 0.405 nan 8.370 nan 0.000 0.507 63 W N 4.153 125.503 121.300 0.083 0.000 2.961 63 W HA 0.061 4.721 4.660 -0.000 0.000 0.240 63 W C 0.490 177.041 176.519 0.054 0.000 1.305 63 W CA -0.176 57.168 57.345 -0.003 0.000 1.465 63 W CB -0.481 28.902 29.460 -0.128 0.000 1.135 63 W HN 0.276 nan 8.180 nan 0.000 0.688 64 K N 1.587 121.650 120.400 -0.562 0.000 2.076 64 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 64 K C 0.928 177.369 176.600 -0.264 0.000 1.051 64 K CA 0.782 56.688 56.287 -0.636 0.000 0.949 64 K CB -0.182 31.986 32.500 -0.553 0.000 0.726 64 K HN -0.024 nan 8.250 nan 0.000 0.443 65 K N 1.432 121.756 120.400 -0.126 0.000 2.559 65 K HA -0.074 4.246 4.320 -0.000 0.000 0.279 65 K C -2.019 174.578 176.600 -0.004 0.000 0.967 65 K CA -0.687 55.573 56.287 -0.046 0.000 1.000 65 K CB 0.115 32.613 32.500 -0.003 0.000 0.890 65 K HN -0.112 nan 8.250 nan 0.000 0.501 66 P HA -0.091 nan 4.420 nan 0.000 0.229 66 P C 0.472 177.815 177.300 0.072 0.000 1.160 66 P CA 0.811 63.929 63.100 0.030 0.000 0.777 66 P CB 0.307 32.015 31.700 0.014 0.000 0.814 67 E N 0.179 120.412 120.200 0.056 0.000 2.502 67 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 67 E C 1.574 178.212 176.600 0.063 0.000 1.062 67 E CA 0.181 56.615 56.400 0.057 0.000 0.867 67 E CB -0.956 28.765 29.700 0.034 0.000 0.888 67 E HN 0.024 nan 8.360 nan 0.000 0.510 68 A N -0.385 122.491 122.820 0.093 0.000 2.238 68 A HA 0.246 4.565 4.320 -0.000 0.000 0.208 68 A C -0.129 177.375 177.584 -0.134 0.000 1.177 68 A CA 0.189 52.246 52.037 0.033 0.000 0.804 68 A CB -0.163 18.892 19.000 0.092 0.000 0.823 68 A HN 0.190 nan 8.150 nan 0.000 0.482 69 F N -1.684 118.293 119.950 0.045 0.000 2.645 69 F HA 0.394 4.921 4.527 -0.000 0.000 0.310 69 F C 0.666 176.497 175.800 0.051 0.000 1.102 69 F CA -0.396 57.640 58.000 0.059 0.000 0.952 69 F CB 1.590 40.601 39.000 0.019 0.000 1.326 69 F HN 0.030 nan 8.300 nan 0.000 0.456 70 S N -0.154 115.705 115.700 0.266 0.000 2.641 70 S HA 0.192 4.662 4.470 -0.000 0.000 0.261 70 S C 0.499 175.202 174.600 0.172 0.000 1.257 70 S CA -0.456 57.854 58.200 0.183 0.000 0.983 70 S CB 0.917 64.222 63.200 0.175 0.000 0.990 70 S HN 0.651 nan 8.310 nan 0.000 0.572 71 D N 0.940 121.416 120.400 0.126 0.000 2.097 71 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 71 D C 1.908 178.273 176.300 0.109 0.000 0.984 71 D CA 1.644 55.703 54.000 0.098 0.000 0.826 71 D CB -0.294 40.554 40.800 0.079 0.000 0.973 71 D HN 0.921 nan 8.370 nan 0.000 0.460 72 E N -0.337 119.951 120.200 0.145 0.000 2.516 72 E HA -0.074 4.276 4.350 -0.000 0.000 0.199 72 E C 1.206 177.934 176.600 0.214 0.000 1.069 72 E CA 0.426 56.945 56.400 0.197 0.000 0.876 72 E CB 0.052 29.914 29.700 0.269 0.000 0.843 72 E HN 0.140 nan 8.360 nan 0.000 0.530 73 M N 0.343 120.039 119.600 0.161 0.000 2.346 73 M HA 0.229 4.709 4.480 -0.000 0.000 0.280 73 M C 1.217 177.542 176.300 0.042 0.000 1.075 73 M CA -0.049 55.350 55.300 0.165 0.000 0.989 73 M CB 0.350 33.154 32.600 0.341 0.000 1.447 73 M HN 0.038 nan 8.290 nan 0.000 0.511 74 R N 0.848 121.327 120.500 -0.035 0.000 2.103 74 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 74 R C -0.738 175.350 176.300 -0.354 0.000 1.142 74 R CA 1.489 57.431 56.100 -0.264 0.000 0.960 74 R CB -2.188 28.025 30.300 -0.144 0.000 0.858 74 R HN 0.229 nan 8.270 nan 0.000 0.439 75 P HA -0.163 nan 4.420 nan 0.000 0.217 75 P C 1.650 178.844 177.300 -0.177 0.000 1.158 75 P CA 1.250 64.315 63.100 -0.059 0.000 0.887 75 P CB -0.130 31.578 31.700 0.013 0.000 0.792 76 V N -0.515 119.267 119.914 -0.220 0.000 2.407 76 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 76 V C 2.673 178.497 176.094 -0.451 0.000 1.055 76 V CA 1.910 64.062 62.300 -0.248 0.000 1.049 76 V CB -1.229 30.584 31.823 -0.017 0.000 0.662 76 V HN 0.213 nan 8.190 nan 0.000 0.455 77 Q N -0.687 118.591 119.800 -0.868 0.000 2.119 77 Q HA -0.220 4.120 4.340 -0.000 0.000 0.201 77 Q C 2.132 177.946 176.000 -0.311 0.000 0.972 77 Q CA 1.891 57.208 55.803 -0.809 0.000 0.847 77 Q CB -0.064 28.020 28.738 -1.090 0.000 0.903 77 Q HN 0.810 nan 8.270 nan 0.000 0.433 78 H N -1.377 117.581 119.070 -0.188 0.000 2.482 78 H HA 0.103 4.659 4.556 -0.000 0.000 0.286 78 H C 1.853 177.137 175.328 -0.074 0.000 1.017 78 H CA 0.579 56.575 56.048 -0.086 0.000 1.322 78 H CB 0.280 29.991 29.762 -0.085 0.000 1.426 78 H HN 0.345 nan 8.280 nan 0.000 0.546 79 A N 0.799 123.578 122.820 -0.069 0.000 1.929 79 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 79 A C 2.149 179.633 177.584 -0.166 0.000 1.176 79 A CA 0.807 52.721 52.037 -0.206 0.000 0.628 79 A CB -0.481 18.204 19.000 -0.524 0.000 0.816 79 A HN 0.308 nan 8.150 nan 0.000 0.444 80 L N -0.924 120.247 121.223 -0.085 0.000 2.156 80 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 80 L C 2.833 179.893 176.870 0.317 0.000 1.095 80 L CA 1.513 56.317 54.840 -0.059 0.000 0.770 80 L CB -0.329 41.626 42.059 -0.173 0.000 0.914 80 L HN 0.585 nan 8.230 nan 0.000 0.439 81 Q N -0.485 119.557 119.800 0.403 0.000 2.119 81 Q HA -0.177 4.163 4.340 -0.000 0.000 0.201 81 Q C 2.015 178.163 176.000 0.248 0.000 0.972 81 Q CA 1.930 57.977 55.803 0.408 0.000 0.847 81 Q CB 0.100 28.996 28.738 0.263 0.000 0.903 81 Q HN 0.396 nan 8.270 nan 0.000 0.433 82 T N 1.403 116.045 114.554 0.148 0.000 2.635 82 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 82 T C 1.812 176.556 174.700 0.074 0.000 1.040 82 T CA 1.779 63.941 62.100 0.102 0.000 1.156 82 T CB -0.146 68.758 68.868 0.060 0.000 0.863 82 T HN 0.325 nan 8.240 nan 0.000 0.430 83 M N 1.018 120.606 119.600 -0.020 0.000 2.149 83 M HA -0.060 4.420 4.480 -0.000 0.000 0.261 83 M C 2.307 178.667 176.300 0.099 0.000 1.064 83 M CA 1.439 56.657 55.300 -0.137 0.000 1.102 83 M CB -1.174 31.334 32.600 -0.154 0.000 1.369 83 M HN 0.224 nan 8.290 nan 0.000 0.408 84 E N 0.771 121.130 120.200 0.264 0.000 2.150 84 E HA -0.073 4.276 4.350 -0.000 0.000 0.193 84 E C 1.921 178.607 176.600 0.145 0.000 0.985 84 E CA 1.524 58.057 56.400 0.221 0.000 0.814 84 E CB -0.024 29.920 29.700 0.406 0.000 0.752 84 E HN 0.369 nan 8.360 nan 0.000 0.466 85 S N 0.247 116.038 115.700 0.152 0.000 2.371 85 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 85 S C 1.520 176.210 174.600 0.150 0.000 1.029 85 S CA 0.803 59.083 58.200 0.133 0.000 0.978 85 S CB -0.106 63.172 63.200 0.130 0.000 0.833 85 S HN 0.255 nan 8.310 nan 0.000 0.466 86 R N 0.876 121.484 120.500 0.179 0.000 2.328 86 R HA 0.173 4.513 4.340 -0.000 0.000 0.200 86 R C 1.342 177.783 176.300 0.235 0.000 0.983 86 R CA 0.625 56.883 56.100 0.263 0.000 1.062 86 R CB -0.898 29.670 30.300 0.446 0.000 0.956 86 R HN 0.515 nan 8.270 nan 0.000 0.479 87 G N 0.537 109.434 108.800 0.162 0.000 2.143 87 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.249 87 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.249 87 G C 0.096 175.113 174.900 0.195 0.000 0.981 87 G CA 0.116 45.319 45.100 0.172 0.000 0.665 87 G HN 0.178 nan 8.290 nan 0.000 0.528 88 V N 2.552 122.529 119.914 0.106 0.000 2.455 88 V HA 0.268 4.388 4.120 -0.000 0.000 0.273 88 V C 0.891 177.055 176.094 0.117 0.000 1.045 88 V CA -0.591 61.772 62.300 0.105 0.000 0.976 88 V CB 0.651 32.427 31.823 -0.079 0.000 0.993 88 V HN 0.376 nan 8.190 nan 0.000 0.475 89 H N 5.840 124.886 119.070 -0.040 0.000 2.610 89 H HA 0.499 5.055 4.556 -0.000 0.000 0.336 89 H C -0.554 174.755 175.328 -0.031 0.000 1.087 89 H CA -0.050 55.901 56.048 -0.162 0.000 1.405 89 H CB 1.042 30.753 29.762 -0.085 0.000 1.460 89 H HN 0.649 nan 8.280 nan 0.000 0.538 90 F N -0.570 119.384 119.950 0.006 0.000 2.693 90 F HA 0.479 5.006 4.527 -0.000 0.000 0.309 90 F C -1.765 173.888 175.800 -0.245 0.000 1.129 90 F CA -1.207 56.720 58.000 -0.121 0.000 0.948 90 F CB 0.453 39.371 39.000 -0.136 0.000 1.315 90 F HN 0.098 nan 8.300 nan 0.000 0.447 91 V N 2.272 122.163 119.914 -0.038 0.000 2.459 91 V HA 0.433 4.553 4.120 -0.000 0.000 0.295 91 V C -1.263 174.808 176.094 -0.038 0.000 1.029 91 V CA -0.708 61.545 62.300 -0.079 0.000 0.874 91 V CB 1.406 33.082 31.823 -0.244 0.000 0.985 91 V HN 0.830 nan 8.190 nan 0.000 0.438 92 Y N 2.927 123.185 120.300 -0.069 0.000 2.487 92 Y HA 0.890 5.440 4.550 -0.000 0.000 0.337 92 Y C 0.507 176.419 175.900 0.021 0.000 1.076 92 Y CA 0.813 58.882 58.100 -0.051 0.000 1.115 92 Y CB 2.149 40.613 38.460 0.007 0.000 1.235 92 Y HN 0.874 nan 8.280 nan 0.000 0.468 93 G N 3.239 111.803 108.800 -0.394 0.000 2.441 93 G HA2 0.259 4.218 3.960 -0.000 0.000 0.222 93 G HA3 0.259 4.218 3.960 -0.000 0.000 0.222 93 G C -1.827 172.904 174.900 -0.282 0.000 1.254 93 G CA -1.199 43.803 45.100 -0.164 0.000 0.959 93 G HN 0.600 nan 8.290 nan 0.000 0.474 94 R N -1.216 119.214 120.500 -0.117 0.000 2.621 94 R HA 0.397 4.737 4.340 -0.000 0.000 0.284 94 R C -0.932 175.397 176.300 0.048 0.000 0.998 94 R CA -0.719 55.337 56.100 -0.073 0.000 0.895 94 R CB 2.170 32.446 30.300 -0.041 0.000 1.195 94 R HN 0.506 nan 8.270 nan 0.000 0.450 95 W N 4.181 125.405 121.300 -0.127 0.000 2.231 95 W HA -0.026 4.634 4.660 -0.000 0.000 0.341 95 W C 0.110 176.583 176.519 -0.077 0.000 1.298 95 W CA -0.201 57.085 57.345 -0.099 0.000 1.266 95 W CB 0.405 29.788 29.460 -0.129 0.000 1.172 95 W HN 0.532 nan 8.180 nan 0.000 0.568 96 L N 8.643 130.039 121.223 0.288 0.000 2.873 96 L HA 0.129 4.469 4.340 -0.000 0.000 0.236 96 L C 0.536 177.367 176.870 -0.064 0.000 1.375 96 L CA -0.020 54.868 54.840 0.081 0.000 1.239 96 L CB -1.274 40.836 42.059 0.084 0.000 1.603 96 L HN 0.236 nan 8.230 nan 0.000 0.430 97 I N -4.228 116.242 120.570 -0.167 0.000 3.294 97 I HA 0.468 4.638 4.170 -0.000 0.000 0.311 97 I C -0.238 175.756 176.117 -0.205 0.000 1.111 97 I CA -1.138 59.984 61.300 -0.297 0.000 0.976 97 I CB 1.518 39.128 38.000 -0.650 0.000 1.260 97 I HN -0.046 nan 8.210 nan 0.000 0.474 98 E N 1.039 121.112 120.200 -0.212 0.000 2.376 98 E HA 0.329 4.679 4.350 -0.000 0.000 0.266 98 E C 0.633 177.134 176.600 -0.166 0.000 1.009 98 E CA 1.010 57.314 56.400 -0.160 0.000 0.902 98 E CB 0.655 30.266 29.700 -0.149 0.000 0.972 98 E HN 1.004 nan 8.360 nan 0.000 0.439 99 G N 2.794 111.520 108.800 -0.124 0.000 2.232 99 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.226 99 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.226 99 G C 0.622 175.474 174.900 -0.080 0.000 0.996 99 G CA -0.038 44.992 45.100 -0.116 0.000 0.626 99 G HN 1.221 nan 8.290 nan 0.000 0.509 100 A N 0.271 123.052 122.820 -0.064 0.000 2.261 100 A HA 0.114 4.434 4.320 -0.000 0.000 0.282 100 A C -0.715 176.862 177.584 -0.012 0.000 1.403 100 A CA 1.431 53.455 52.037 -0.022 0.000 0.753 100 A CB -1.269 17.712 19.000 -0.030 0.000 1.125 100 A HN 1.157 nan 8.150 nan 0.000 0.358 101 P HA 0.248 nan 4.420 nan 0.000 0.271 101 P C -0.066 177.193 177.300 -0.070 0.000 1.218 101 P CA -0.021 63.109 63.100 0.051 0.000 0.780 101 P CB 0.628 32.453 31.700 0.207 0.000 0.901 102 K N 1.085 121.350 120.400 -0.225 0.000 2.350 102 K HA 0.340 4.660 4.320 -0.000 0.000 0.279 102 K C -0.337 176.020 176.600 -0.406 0.000 1.027 102 K CA -0.305 55.739 56.287 -0.404 0.000 0.969 102 K CB 0.457 32.589 32.500 -0.613 0.000 0.954 102 K HN 0.218 nan 8.250 nan 0.000 0.474 103 V N 5.035 124.663 119.914 -0.475 0.000 2.680 103 V HA 0.427 4.547 4.120 -0.000 0.000 0.309 103 V C -0.415 175.364 176.094 -0.525 0.000 1.052 103 V CA -0.810 61.215 62.300 -0.457 0.000 0.908 103 V CB 1.803 33.353 31.823 -0.455 0.000 1.001 103 V HN 0.609 nan 8.190 nan 0.000 0.431 104 I N 5.632 125.900 120.570 -0.502 0.000 2.495 104 I HA 0.394 4.564 4.170 -0.000 0.000 0.277 104 I C -0.869 174.771 176.117 -0.795 0.000 1.045 104 I CA -0.194 60.720 61.300 -0.643 0.000 1.135 104 I CB 1.199 38.743 38.000 -0.760 0.000 1.241 104 I HN 0.302 nan 8.210 nan 0.000 0.469 105 L N 5.857 126.700 121.223 -0.633 0.000 2.257 105 L HA 0.467 4.807 4.340 -0.000 0.000 0.290 105 L C -0.776 175.824 176.870 -0.451 0.000 1.044 105 L CA -0.502 54.031 54.840 -0.511 0.000 0.810 105 L CB 0.658 42.483 42.059 -0.390 0.000 1.193 105 L HN 0.337 nan 8.230 nan 0.000 0.425 106 F N 1.338 121.208 119.950 -0.134 0.000 2.411 106 F HA 0.148 4.675 4.527 -0.000 0.000 0.355 106 F C 0.736 176.511 175.800 -0.041 0.000 1.117 106 F CA -0.979 56.989 58.000 -0.054 0.000 1.139 106 F CB 0.674 39.633 39.000 -0.068 0.000 1.120 106 F HN 0.405 nan 8.300 nan 0.000 0.493 107 D N 4.493 124.998 120.400 0.176 0.000 2.348 107 D HA 0.051 4.691 4.640 -0.000 0.000 0.259 107 D C 1.091 177.454 176.300 0.105 0.000 1.296 107 D CA 0.330 54.380 54.000 0.083 0.000 0.931 107 D CB 0.501 41.334 40.800 0.055 0.000 1.067 107 D HN 0.544 nan 8.370 nan 0.000 0.503 108 L N 2.588 123.869 121.223 0.098 0.000 2.265 108 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 108 L C 1.442 178.365 176.870 0.087 0.000 1.117 108 L CA 0.529 55.437 54.840 0.113 0.000 0.782 108 L CB -0.232 41.899 42.059 0.120 0.000 0.914 108 L HN 0.335 nan 8.230 nan 0.000 0.441 109 D N 0.476 120.904 120.400 0.047 0.000 2.103 109 D HA -0.169 4.471 4.640 -0.000 0.000 0.190 109 D C 1.759 178.058 176.300 -0.001 0.000 0.997 109 D CA 1.698 55.709 54.000 0.017 0.000 0.833 109 D CB -0.167 40.621 40.800 -0.019 0.000 0.961 109 D HN 0.268 nan 8.370 nan 0.000 0.447 110 S N -0.380 115.294 115.700 -0.044 0.000 3.593 110 S HA 0.242 4.712 4.470 -0.000 0.000 0.224 110 S C 0.584 175.205 174.600 0.036 0.000 1.333 110 S CA -0.369 57.798 58.200 -0.056 0.000 1.164 110 S CB 0.105 63.192 63.200 -0.188 0.000 1.281 110 S HN 0.070 nan 8.310 nan 0.000 0.457 111 V N -0.015 119.931 119.914 0.053 0.000 3.668 111 V HA 0.162 4.282 4.120 -0.000 0.000 0.261 111 V C 1.891 178.018 176.094 0.054 0.000 1.790 111 V CA 0.295 62.606 62.300 0.019 0.000 1.119 111 V CB -0.469 31.410 31.823 0.093 0.000 0.967 111 V HN 0.571 nan 8.190 nan 0.000 0.344 112 R N 1.390 121.936 120.500 0.077 0.000 2.170 112 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 112 R C 2.046 178.357 176.300 0.018 0.000 1.145 112 R CA 2.139 58.277 56.100 0.064 0.000 0.984 112 R CB -0.402 29.936 30.300 0.064 0.000 0.869 112 R HN 0.575 nan 8.270 nan 0.000 0.455 113 G N -0.482 108.344 108.800 0.044 0.000 2.442 113 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 113 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 113 G C 0.710 175.506 174.900 -0.173 0.000 1.141 113 G CA 0.643 45.720 45.100 -0.038 0.000 0.763 113 G HN 0.379 nan 8.290 nan 0.000 0.554 114 Y N 2.429 122.425 120.300 -0.507 0.000 2.680 114 Y HA -0.064 4.486 4.550 -0.000 0.000 0.303 114 Y C 2.952 178.307 175.900 -0.908 0.000 1.166 114 Y CA 0.224 57.762 58.100 -0.936 0.000 1.344 114 Y CB -0.523 36.893 38.460 -1.741 0.000 1.002 114 Y HN 0.333 nan 8.280 nan 0.000 0.537 115 S N 0.424 115.938 115.700 -0.310 0.000 2.414 115 S HA -0.304 4.166 4.470 -0.000 0.000 0.225 115 S C 1.981 176.530 174.600 -0.084 0.000 1.041 115 S CA 1.570 59.713 58.200 -0.095 0.000 1.114 115 S CB -0.888 62.311 63.200 -0.001 0.000 1.064 115 S HN 0.480 nan 8.310 nan 0.000 0.420 116 N N 2.016 120.660 118.700 -0.093 0.000 2.133 116 N HA -0.186 4.554 4.740 -0.000 0.000 0.193 116 N C 1.820 177.289 175.510 -0.068 0.000 1.012 116 N CA 1.943 54.953 53.050 -0.068 0.000 0.871 116 N CB -0.503 37.936 38.487 -0.079 0.000 1.011 116 N HN 0.717 nan 8.380 nan 0.000 0.435 117 E N -0.490 119.616 120.200 -0.156 0.000 2.028 117 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 117 E C 1.954 178.536 176.600 -0.030 0.000 0.988 117 E CA 0.756 57.072 56.400 -0.140 0.000 0.799 117 E CB -0.181 29.356 29.700 -0.272 0.000 0.755 117 E HN 0.416 nan 8.360 nan 0.000 0.447 118 W N 1.722 122.889 121.300 -0.221 0.000 2.354 118 W HA -0.102 4.558 4.660 -0.000 0.000 0.315 118 W C 2.133 178.541 176.519 -0.185 0.000 1.206 118 W CA 0.716 57.781 57.345 -0.466 0.000 1.290 118 W CB -0.929 28.015 29.460 -0.861 0.000 1.152 118 W HN 0.050 nan 8.180 nan 0.000 0.489 119 K N -0.459 120.044 120.400 0.172 0.000 2.034 119 K HA -0.201 4.119 4.320 -0.000 0.000 0.214 119 K C 2.310 179.034 176.600 0.206 0.000 1.051 119 K CA 1.978 58.371 56.287 0.178 0.000 0.931 119 K CB -1.050 31.514 32.500 0.106 0.000 0.715 119 K HN 0.199 nan 8.250 nan 0.000 0.446 120 G N 1.378 110.277 108.800 0.165 0.000 2.421 120 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.216 120 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.216 120 G C 1.206 176.246 174.900 0.233 0.000 1.171 120 G CA 1.302 46.535 45.100 0.222 0.000 0.775 120 G HN 0.405 nan 8.290 nan 0.000 0.543 121 D N 0.245 120.748 120.400 0.172 0.000 2.133 121 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 121 D C 2.318 178.734 176.300 0.193 0.000 0.997 121 D CA 0.818 54.915 54.000 0.161 0.000 0.840 121 D CB -0.401 40.503 40.800 0.173 0.000 0.947 121 D HN 0.309 nan 8.370 nan 0.000 0.452 122 L N -0.118 121.270 121.223 0.275 0.000 2.027 122 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 122 L C 2.374 179.380 176.870 0.226 0.000 1.074 122 L CA 1.248 56.251 54.840 0.271 0.000 0.745 122 L CB -0.529 41.732 42.059 0.338 0.000 0.898 122 L HN 0.412 nan 8.230 nan 0.000 0.433 123 W N 0.478 121.832 121.300 0.091 0.000 2.364 123 W HA -0.229 4.431 4.660 -0.000 0.000 0.281 123 W C 2.094 178.644 176.519 0.052 0.000 1.219 123 W CA 1.513 58.898 57.345 0.068 0.000 1.220 123 W CB -0.029 29.466 29.460 0.058 0.000 1.127 123 W HN 0.375 nan 8.180 nan 0.000 0.556 124 S N -0.305 115.270 115.700 -0.209 0.000 2.497 124 S HA 0.042 4.512 4.470 -0.000 0.000 0.218 124 S C 1.807 176.283 174.600 -0.207 0.000 1.023 124 S CA 0.132 58.119 58.200 -0.355 0.000 0.913 124 S CB -0.468 62.625 63.200 -0.178 0.000 0.800 124 S HN 0.291 nan 8.310 nan 0.000 0.505 125 L N 0.818 121.985 121.223 -0.092 0.000 2.354 125 L HA 0.238 4.578 4.340 -0.000 0.000 0.212 125 L C 1.620 178.439 176.870 -0.084 0.000 1.091 125 L CA 0.574 55.372 54.840 -0.070 0.000 0.828 125 L CB 0.292 42.340 42.059 -0.018 0.000 0.973 125 L HN 0.266 nan 8.230 nan 0.000 0.461 126 V N -2.013 117.859 119.914 -0.071 0.000 3.250 126 V HA 0.367 4.487 4.120 -0.000 0.000 0.240 126 V C 1.082 177.136 176.094 -0.068 0.000 1.275 126 V CA 0.659 62.919 62.300 -0.066 0.000 1.206 126 V CB 0.685 32.483 31.823 -0.041 0.000 0.976 126 V HN 0.418 nan 8.190 nan 0.000 0.467 127 G N 1.322 110.082 108.800 -0.068 0.000 2.226 127 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.176 127 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.176 127 G C -0.286 174.778 174.900 0.273 0.000 1.042 127 G CA -0.156 44.905 45.100 -0.065 0.000 0.732 127 G HN 0.406 nan 8.290 nan 0.000 0.494 128 I N 2.362 123.146 120.570 0.357 0.000 2.359 128 I HA 0.290 4.460 4.170 -0.000 0.000 0.284 128 I C -1.525 174.859 176.117 0.444 0.000 1.018 128 I CA -2.384 59.128 61.300 0.353 0.000 1.173 128 I CB 1.683 39.801 38.000 0.196 0.000 1.326 128 I HN -0.032 nan 8.210 nan 0.000 0.462 129 P HA 0.104 nan 4.420 nan 0.000 0.272 129 P C -0.488 176.826 177.300 0.025 0.000 1.254 129 P CA -0.255 62.885 63.100 0.066 0.000 0.795 129 P CB 0.682 32.387 31.700 0.007 0.000 1.022 130 S N -2.720 112.891 115.700 -0.148 0.000 2.769 130 S HA 0.318 4.788 4.470 -0.000 0.000 0.150 130 S C -2.945 171.507 174.600 -0.247 0.000 1.034 130 S CA -1.082 57.011 58.200 -0.179 0.000 1.096 130 S CB -0.729 62.460 63.200 -0.018 0.000 1.567 130 S HN 0.158 nan 8.310 nan 0.000 0.435 131 P HA 0.007 nan 4.420 nan 0.000 0.263 131 P C 1.258 178.421 177.300 -0.227 0.000 1.168 131 P CA 0.161 63.098 63.100 -0.272 0.000 0.759 131 P CB 0.518 32.045 31.700 -0.288 0.000 0.782 132 E N 3.040 123.125 120.200 -0.192 0.000 2.097 132 E HA -0.318 4.031 4.350 -0.000 0.000 0.196 132 E C 0.830 177.228 176.600 -0.336 0.000 1.000 132 E CA 1.833 58.111 56.400 -0.204 0.000 0.804 132 E CB -0.773 28.834 29.700 -0.155 0.000 0.740 132 E HN 0.489 nan 8.360 nan 0.000 0.454 133 N N 1.282 119.788 118.700 -0.324 0.000 2.453 133 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 133 N C 0.405 175.565 175.510 -0.584 0.000 1.041 133 N CA 1.062 53.825 53.050 -0.478 0.000 0.900 133 N CB -0.183 38.191 38.487 -0.189 0.000 0.961 133 N HN 0.071 nan 8.380 nan 0.000 0.443 134 D N 0.197 120.415 120.400 -0.304 0.000 2.498 134 D HA 0.033 4.673 4.640 -0.000 0.000 0.229 134 D C -0.009 176.261 176.300 -0.050 0.000 1.188 134 D CA -0.410 53.549 54.000 -0.068 0.000 1.028 134 D CB -0.412 40.431 40.800 0.072 0.000 1.087 134 D HN 0.112 nan 8.370 nan 0.000 0.510 135 F N 1.293 121.311 119.950 0.112 0.000 2.202 135 F HA -0.150 4.377 4.527 -0.000 0.000 0.301 135 F C 2.160 178.034 175.800 0.123 0.000 1.082 135 F CA 0.711 58.773 58.000 0.102 0.000 1.313 135 F CB -0.134 38.916 39.000 0.083 0.000 1.024 135 F HN 0.263 nan 8.300 nan 0.000 0.495 136 E N 0.015 120.413 120.200 0.331 0.000 2.051 136 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 136 E C 2.422 179.168 176.600 0.243 0.000 0.991 136 E CA 2.115 58.671 56.400 0.259 0.000 0.799 136 E CB -0.790 29.088 29.700 0.296 0.000 0.748 136 E HN 0.434 nan 8.360 nan 0.000 0.449 137 T N -0.805 113.947 114.554 0.331 0.000 2.867 137 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 137 T C 1.537 176.380 174.700 0.239 0.000 1.057 137 T CA 1.150 63.467 62.100 0.360 0.000 1.136 137 T CB -0.259 68.865 68.868 0.428 0.000 0.874 137 T HN -0.049 nan 8.240 nan 0.000 0.466 138 N N 2.253 121.065 118.700 0.186 0.000 2.039 138 N HA -0.072 4.668 4.740 -0.000 0.000 0.193 138 N C 1.574 177.196 175.510 0.187 0.000 1.044 138 N CA 1.666 54.814 53.050 0.163 0.000 0.847 138 N CB -0.742 37.818 38.487 0.122 0.000 1.030 138 N HN 0.404 nan 8.380 nan 0.000 0.422 139 D N 0.334 120.842 120.400 0.179 0.000 2.263 139 D HA -0.033 4.607 4.640 -0.000 0.000 0.208 139 D C 1.676 178.052 176.300 0.126 0.000 0.971 139 D CA 0.846 54.938 54.000 0.154 0.000 0.867 139 D CB -0.282 40.597 40.800 0.133 0.000 0.929 139 D HN 0.288 nan 8.370 nan 0.000 0.492 140 A N 0.612 123.501 122.820 0.115 0.000 1.855 140 A HA -0.111 4.208 4.320 -0.000 0.000 0.215 140 A C 2.322 179.977 177.584 0.119 0.000 1.191 140 A CA 0.787 52.867 52.037 0.073 0.000 0.613 140 A CB -0.620 18.416 19.000 0.060 0.000 0.829 140 A HN 0.181 nan 8.150 nan 0.000 0.442 141 I N -0.149 120.535 120.570 0.190 0.000 2.179 141 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 141 I C 2.422 178.717 176.117 0.297 0.000 1.088 141 I CA 1.053 62.508 61.300 0.257 0.000 1.357 141 I CB -0.549 37.642 38.000 0.320 0.000 1.051 141 I HN 0.309 nan 8.210 nan 0.000 0.409 142 L N 0.195 121.601 121.223 0.305 0.000 1.951 142 L HA -0.292 4.047 4.340 -0.000 0.000 0.222 142 L C 2.708 179.689 176.870 0.186 0.000 1.078 142 L CA 1.482 56.536 54.840 0.356 0.000 0.778 142 L CB -0.845 41.392 42.059 0.297 0.000 0.893 142 L HN 0.275 nan 8.230 nan 0.000 0.436 143 L N 0.410 121.711 121.223 0.130 0.000 2.021 143 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 143 L C 2.364 179.238 176.870 0.006 0.000 1.074 143 L CA 2.354 57.239 54.840 0.075 0.000 0.760 143 L CB -1.199 40.905 42.059 0.075 0.000 0.889 143 L HN 0.240 nan 8.230 nan 0.000 0.433 144 G N -1.871 106.914 108.800 -0.025 0.000 2.469 144 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 144 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 144 G C 1.402 176.113 174.900 -0.315 0.000 1.150 144 G CA 1.308 46.312 45.100 -0.160 0.000 0.763 144 G HN 0.520 nan 8.290 nan 0.000 0.561 145 Y N 0.845 120.888 120.300 -0.429 0.000 2.184 145 Y HA -0.022 4.528 4.550 -0.000 0.000 0.290 145 Y C 3.359 178.994 175.900 -0.441 0.000 1.129 145 Y CA 1.638 59.302 58.100 -0.727 0.000 1.144 145 Y CB -0.492 36.861 38.460 -1.844 0.000 0.995 145 Y HN 0.109 nan 8.280 nan 0.000 0.513 146 T N -0.668 113.779 114.554 -0.179 0.000 2.897 146 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 146 T C 1.925 176.474 174.700 -0.251 0.000 1.084 146 T CA 1.219 63.247 62.100 -0.119 0.000 1.123 146 T CB -0.467 68.265 68.868 -0.227 0.000 0.865 146 T HN 0.084 nan 8.240 nan 0.000 0.496 147 V N 1.164 121.005 119.914 -0.122 0.000 2.341 147 V HA 0.032 4.152 4.120 -0.000 0.000 0.240 147 V C 2.851 178.984 176.094 0.065 0.000 1.035 147 V CA 1.318 63.609 62.300 -0.015 0.000 1.033 147 V CB -1.135 30.745 31.823 0.095 0.000 0.678 147 V HN 0.460 nan 8.190 nan 0.000 0.464 148 A N -0.126 122.690 122.820 -0.007 0.000 1.917 148 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 148 A C 2.003 179.646 177.584 0.098 0.000 1.182 148 A CA 2.225 54.255 52.037 -0.010 0.000 0.633 148 A CB -0.909 17.984 19.000 -0.177 0.000 0.819 148 A HN 0.718 nan 8.150 nan 0.000 0.448 149 W N 0.091 121.322 121.300 -0.115 0.000 2.311 149 W HA -0.274 4.386 4.660 -0.000 0.000 0.326 149 W C 2.062 178.553 176.519 -0.046 0.000 1.239 149 W CA 1.637 58.937 57.345 -0.074 0.000 1.258 149 W CB -1.453 27.951 29.460 -0.093 0.000 1.165 149 W HN 0.426 nan 8.180 nan 0.000 0.466 150 F N 0.717 120.647 119.950 -0.033 0.000 2.065 150 F HA -0.301 4.226 4.527 -0.000 0.000 0.298 150 F C 2.490 178.216 175.800 -0.123 0.000 1.112 150 F CA 2.773 60.660 58.000 -0.189 0.000 1.212 150 F CB -0.854 37.995 39.000 -0.253 0.000 0.975 150 F HN -0.170 nan 8.300 nan 0.000 0.476 151 L N 0.187 121.524 121.223 0.190 0.000 2.013 151 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 151 L C 2.833 179.692 176.870 -0.018 0.000 1.073 151 L CA 1.606 56.472 54.840 0.043 0.000 0.753 151 L CB -1.752 40.372 42.059 0.108 0.000 0.890 151 L HN 0.432 nan 8.230 nan 0.000 0.432 152 G N -0.777 108.045 108.800 0.037 0.000 2.469 152 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 152 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 152 G C 1.480 176.401 174.900 0.036 0.000 1.150 152 G CA 0.486 45.612 45.100 0.042 0.000 0.763 152 G HN 0.300 nan 8.290 nan 0.000 0.561 153 E N 0.157 120.357 120.200 0.001 0.000 2.072 153 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 153 E C 2.897 179.463 176.600 -0.057 0.000 0.985 153 E CA 0.653 57.050 56.400 -0.004 0.000 0.801 153 E CB -0.358 29.305 29.700 -0.062 0.000 0.750 153 E HN 0.323 nan 8.360 nan 0.000 0.452 154 V N 1.567 121.339 119.914 -0.236 0.000 2.343 154 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 154 V C 2.454 178.541 176.094 -0.011 0.000 1.051 154 V CA 1.731 63.910 62.300 -0.201 0.000 1.036 154 V CB -0.812 30.819 31.823 -0.320 0.000 0.654 154 V HN 0.234 nan 8.190 nan 0.000 0.451 155 A N -0.636 122.206 122.820 0.037 0.000 2.024 155 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 155 A C 2.086 179.735 177.584 0.107 0.000 1.164 155 A CA 2.327 54.421 52.037 0.096 0.000 0.643 155 A CB -0.739 18.326 19.000 0.108 0.000 0.806 155 A HN 0.761 nan 8.150 nan 0.000 0.451 156 H N -0.041 119.030 119.070 0.001 0.000 2.333 156 H HA 0.108 4.664 4.556 -0.000 0.000 0.302 156 H C 1.625 176.953 175.328 0.001 0.000 1.075 156 H CA 1.779 57.829 56.048 0.004 0.000 1.348 156 H CB -0.240 29.522 29.762 -0.001 0.000 1.393 156 H HN 0.332 nan 8.280 nan 0.000 0.509 157 L N -0.218 120.944 121.223 -0.103 0.000 2.291 157 L HA 0.012 4.352 4.340 -0.000 0.000 0.214 157 L C 0.534 177.357 176.870 -0.079 0.000 1.120 157 L CA 0.534 55.288 54.840 -0.144 0.000 0.799 157 L CB -0.148 41.885 42.059 -0.043 0.000 0.925 157 L HN 0.334 nan 8.230 nan 0.000 0.446 158 D N -0.563 119.821 120.400 -0.027 0.000 2.185 158 D HA 0.228 4.867 4.640 -0.000 0.000 0.247 158 D C 0.336 176.634 176.300 -0.004 0.000 1.027 158 D CA 0.151 54.160 54.000 0.016 0.000 0.861 158 D CB 2.097 42.960 40.800 0.105 0.000 1.202 158 D HN -0.028 nan 8.370 nan 0.000 0.453 159 S N 1.803 117.480 115.700 -0.037 0.000 2.651 159 S HA -0.035 4.435 4.470 -0.000 0.000 0.259 159 S C 1.308 175.860 174.600 -0.080 0.000 1.073 159 S CA -0.361 57.812 58.200 -0.046 0.000 1.090 159 S CB 0.619 63.786 63.200 -0.054 0.000 1.042 159 S HN 0.534 nan 8.310 nan 0.000 0.581 160 Q N 1.556 121.259 119.800 -0.163 0.000 2.013 160 Q HA 0.067 4.407 4.340 -0.000 0.000 0.195 160 Q C -0.274 175.608 176.000 -0.197 0.000 0.974 160 Q CA 0.672 56.324 55.803 -0.253 0.000 0.826 160 Q CB -0.113 28.347 28.738 -0.462 0.000 0.895 160 Q HN 0.734 nan 8.270 nan 0.000 0.448 161 H N 0.451 119.548 119.070 0.045 0.000 2.764 161 H HA 0.373 4.928 4.556 -0.000 0.000 0.341 161 H C -0.248 175.142 175.328 0.103 0.000 1.072 161 H CA -0.224 55.878 56.048 0.090 0.000 1.444 161 H CB 1.083 30.898 29.762 0.090 0.000 1.458 161 H HN 0.420 nan 8.280 nan 0.000 0.572 162 A N 3.653 126.623 122.820 0.249 0.000 2.386 162 A HA 0.336 4.656 4.320 -0.000 0.000 0.246 162 A C -0.009 177.747 177.584 0.287 0.000 1.089 162 A CA -0.166 51.993 52.037 0.203 0.000 0.790 162 A CB 0.197 19.300 19.000 0.172 0.000 1.042 162 A HN 0.725 nan 8.150 nan 0.000 0.497 163 I N 1.294 122.026 120.570 0.269 0.000 2.447 163 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 163 I C -1.003 175.240 176.117 0.209 0.000 1.023 163 I CA -0.621 60.839 61.300 0.267 0.000 1.083 163 I CB 1.991 40.171 38.000 0.300 0.000 1.245 163 I HN 0.289 nan 8.210 nan 0.000 0.434 164 V N 5.195 125.205 119.914 0.161 0.000 2.398 164 V HA 0.641 4.761 4.120 -0.000 0.000 0.286 164 V C 0.297 176.487 176.094 0.160 0.000 1.026 164 V CA -0.541 61.819 62.300 0.100 0.000 0.868 164 V CB 1.511 33.334 31.823 0.000 0.000 0.982 164 V HN 0.814 nan 8.190 nan 0.000 0.443 165 A N 3.429 126.336 122.820 0.146 0.000 2.431 165 A HA 0.543 4.863 4.320 -0.000 0.000 0.318 165 A C -0.542 177.026 177.584 -0.027 0.000 1.330 165 A CA -0.434 51.654 52.037 0.085 0.000 0.804 165 A CB -0.067 19.076 19.000 0.239 0.000 1.135 165 A HN 1.001 nan 8.150 nan 0.000 0.483 166 H N 1.472 120.408 119.070 -0.224 0.000 2.527 166 H HA 0.606 5.162 4.556 -0.000 0.000 0.321 166 H C -1.341 173.741 175.328 -0.410 0.000 1.087 166 H CA -0.253 55.694 56.048 -0.168 0.000 1.337 166 H CB 0.598 30.334 29.762 -0.042 0.000 1.440 166 H HN 0.524 nan 8.280 nan 0.000 0.490 167 F N 2.527 122.683 119.950 0.344 0.000 2.520 167 F HA 0.249 4.776 4.527 -0.000 0.000 0.322 167 F C -0.424 175.441 175.800 0.107 0.000 1.103 167 F CA -0.738 57.421 58.000 0.265 0.000 0.926 167 F CB 1.599 40.794 39.000 0.326 0.000 1.154 167 F HN 0.631 nan 8.300 nan 0.000 0.453 168 H N 1.365 120.653 119.070 0.364 0.000 2.587 168 H HA 0.516 5.072 4.556 -0.000 0.000 0.325 168 H C -0.729 174.743 175.328 0.241 0.000 1.012 168 H CA -0.690 55.493 56.048 0.225 0.000 1.213 168 H CB 1.294 31.137 29.762 0.137 0.000 1.431 168 H HN 0.568 nan 8.280 nan 0.000 0.492 169 E N 1.147 121.536 120.200 0.315 0.000 8.389 169 E HA -0.204 4.146 4.350 -0.000 0.000 0.467 169 E C 0.505 177.428 176.600 0.537 0.000 0.984 169 E CA 0.604 57.242 56.400 0.396 0.000 1.717 169 E CB -0.348 29.492 29.700 0.235 0.000 0.997 169 E HN 0.832 nan 8.360 nan 0.000 0.263 170 W N 4.182 125.750 121.300 0.448 0.000 2.374 170 W HA -0.124 4.536 4.660 -0.000 0.000 0.288 170 W C 1.154 177.783 176.519 0.184 0.000 1.218 170 W CA 1.116 58.628 57.345 0.278 0.000 1.245 170 W CB -0.736 28.826 29.460 0.170 0.000 1.126 170 W HN 0.499 nan 8.180 nan 0.000 0.545 171 L N 1.555 122.297 121.223 -0.803 0.000 2.549 171 L HA -0.070 4.270 4.340 -0.000 0.000 0.230 171 L C 2.055 178.801 176.870 -0.206 0.000 1.162 171 L CA 1.363 55.743 54.840 -0.766 0.000 0.834 171 L CB -0.674 40.952 42.059 -0.722 0.000 0.947 171 L HN 0.135 nan 8.230 nan 0.000 0.452 172 A N -1.382 121.441 122.820 0.005 0.000 2.605 172 A HA 0.444 4.764 4.320 -0.000 0.000 0.292 172 A C 1.377 179.061 177.584 0.166 0.000 1.055 172 A CA 0.314 52.437 52.037 0.144 0.000 0.969 172 A CB 0.087 19.237 19.000 0.251 0.000 1.236 172 A HN 0.259 nan 8.150 nan 0.000 0.534 173 G N -0.970 107.868 108.800 0.064 0.000 3.020 173 G HA2 0.241 4.201 3.960 -0.000 0.000 0.217 173 G HA3 0.241 4.201 3.960 -0.000 0.000 0.217 173 G C 1.124 175.850 174.900 -0.289 0.000 1.144 173 G CA 0.963 45.974 45.100 -0.150 0.000 0.760 173 G HN 0.185 nan 8.290 nan 0.000 0.548 174 V N 1.795 121.602 119.914 -0.177 0.000 2.324 174 V HA -0.229 3.890 4.120 -0.000 0.000 0.250 174 V C 3.176 179.043 176.094 -0.379 0.000 1.060 174 V CA 2.136 64.308 62.300 -0.213 0.000 1.042 174 V CB -0.657 31.091 31.823 -0.125 0.000 0.650 174 V HN 0.419 nan 8.190 nan 0.000 0.450 175 A N -1.101 121.456 122.820 -0.438 0.000 2.216 175 A HA 0.004 4.324 4.320 -0.000 0.000 0.214 175 A C 2.128 179.380 177.584 -0.553 0.000 1.160 175 A CA 1.061 52.803 52.037 -0.491 0.000 0.725 175 A CB -0.389 18.396 19.000 -0.359 0.000 0.784 175 A HN 0.541 nan 8.150 nan 0.000 0.472 176 L N -0.121 120.739 121.223 -0.605 0.000 2.102 176 L HA -0.014 4.326 4.340 -0.000 0.000 0.202 176 L C -0.330 176.346 176.870 -0.324 0.000 1.076 176 L CA 0.903 55.441 54.840 -0.502 0.000 0.761 176 L CB -0.938 40.805 42.059 -0.527 0.000 0.921 176 L HN 0.205 nan 8.230 nan 0.000 0.444 177 P HA -0.184 nan 4.420 nan 0.000 0.216 177 P C 1.814 178.986 177.300 -0.213 0.000 1.150 177 P CA 1.489 64.452 63.100 -0.228 0.000 0.837 177 P CB 0.072 31.646 31.700 -0.209 0.000 0.786 178 L N -0.228 120.831 121.223 -0.273 0.000 1.943 178 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 178 L C 3.015 179.779 176.870 -0.176 0.000 1.074 178 L CA 1.950 56.638 54.840 -0.255 0.000 0.759 178 L CB -1.768 40.066 42.059 -0.375 0.000 0.888 178 L HN 0.033 nan 8.230 nan 0.000 0.433 179 C N -0.300 118.899 119.300 -0.169 0.000 2.385 179 C HA -0.248 4.212 4.460 -0.000 0.000 0.275 179 C C 3.039 177.980 174.990 -0.082 0.000 1.199 179 C CA 1.288 60.248 59.018 -0.097 0.000 1.782 179 C CB -1.079 26.622 27.740 -0.065 0.000 2.068 179 C HN 0.485 nan 8.230 nan 0.000 0.471 180 R N 1.474 121.911 120.500 -0.104 0.000 2.073 180 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 180 R C 2.158 178.411 176.300 -0.079 0.000 1.134 180 R CA 1.723 57.770 56.100 -0.088 0.000 0.952 180 R CB -0.469 29.770 30.300 -0.102 0.000 0.850 180 R HN 0.408 nan 8.270 nan 0.000 0.433 181 K N 0.742 121.088 120.400 -0.090 0.000 1.963 181 K HA -0.088 4.231 4.320 -0.000 0.000 0.216 181 K C 2.051 178.614 176.600 -0.061 0.000 1.045 181 K CA 1.836 58.078 56.287 -0.076 0.000 0.954 181 K CB -0.690 31.761 32.500 -0.082 0.000 0.732 181 K HN 0.250 nan 8.250 nan 0.000 0.442 182 R N 0.886 121.347 120.500 -0.065 0.000 2.332 182 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 182 R C 0.696 176.975 176.300 -0.034 0.000 1.160 182 R CA 0.816 56.886 56.100 -0.050 0.000 1.020 182 R CB -0.398 29.869 30.300 -0.057 0.000 0.859 182 R HN 0.212 nan 8.270 nan 0.000 0.478 183 R N 0.050 120.528 120.500 -0.036 0.000 3.875 183 R HA -0.150 4.190 4.340 -0.000 0.000 0.321 183 R C -0.315 175.983 176.300 -0.003 0.000 1.196 183 R CA 0.583 56.669 56.100 -0.023 0.000 0.868 183 R CB -1.829 28.460 30.300 -0.018 0.000 1.333 183 R HN 0.152 nan 8.270 nan 0.000 0.522 184 I N 0.478 121.047 120.570 -0.001 0.000 3.003 184 I HA -0.064 4.106 4.170 -0.000 0.000 0.294 184 I C 0.882 177.028 176.117 0.048 0.000 1.237 184 I CA 0.692 62.008 61.300 0.027 0.000 1.417 184 I CB 0.049 38.067 38.000 0.029 0.000 1.340 184 I HN 0.197 nan 8.210 nan 0.000 0.594 185 D N 5.157 125.608 120.400 0.085 0.000 2.631 185 D HA 0.377 5.017 4.640 -0.000 0.000 0.227 185 D C -0.709 175.692 176.300 0.169 0.000 1.146 185 D CA -0.028 54.050 54.000 0.130 0.000 1.009 185 D CB -0.107 40.793 40.800 0.166 0.000 1.057 185 D HN 0.368 nan 8.370 nan 0.000 0.509 186 V N 0.124 120.112 119.914 0.125 0.000 2.777 186 V HA 0.532 4.652 4.120 -0.000 0.000 0.306 186 V C -0.003 176.142 176.094 0.085 0.000 1.112 186 V CA -1.222 61.169 62.300 0.152 0.000 0.917 186 V CB 1.210 33.133 31.823 0.166 0.000 1.018 186 V HN 0.054 nan 8.190 nan 0.000 0.426 187 V N 1.894 121.856 119.914 0.081 0.000 2.614 187 V HA 0.817 4.937 4.120 -0.000 0.000 0.291 187 V C 0.566 176.696 176.094 0.060 0.000 1.049 187 V CA 0.681 62.987 62.300 0.010 0.000 1.038 187 V CB 0.609 32.422 31.823 -0.018 0.000 0.980 187 V HN 1.382 nan 8.190 nan 0.000 0.481 188 T N 2.815 117.401 114.554 0.053 0.000 2.887 188 T HA 0.823 5.173 4.350 -0.000 0.000 0.288 188 T C -0.661 174.079 174.700 0.066 0.000 1.021 188 T CA -0.700 61.479 62.100 0.130 0.000 1.000 188 T CB 1.676 70.656 68.868 0.187 0.000 1.034 188 T HN 0.667 nan 8.240 nan 0.000 0.467 189 I N 2.177 122.779 120.570 0.054 0.000 2.608 189 I HA 0.600 4.770 4.170 -0.000 0.000 0.295 189 I C -1.318 174.857 176.117 0.097 0.000 1.049 189 I CA -1.101 60.133 61.300 -0.109 0.000 1.063 189 I CB 2.230 39.873 38.000 -0.595 0.000 1.248 189 I HN 0.656 nan 8.210 nan 0.000 0.424 190 F N 4.057 124.009 119.950 0.004 0.000 2.477 190 F HA 0.578 5.105 4.527 -0.000 0.000 0.335 190 F C -0.509 175.360 175.800 0.114 0.000 1.130 190 F CA -0.252 57.838 58.000 0.150 0.000 0.948 190 F CB 1.740 40.869 39.000 0.215 0.000 1.154 190 F HN 0.304 nan 8.300 nan 0.000 0.439 191 T N 4.403 118.600 114.554 -0.596 0.000 2.779 191 T HA 0.347 4.697 4.350 -0.000 0.000 0.280 191 T C -0.555 173.684 174.700 -0.769 0.000 0.987 191 T CA -0.425 61.324 62.100 -0.586 0.000 0.966 191 T CB 1.349 70.033 68.868 -0.307 0.000 0.933 191 T HN 0.639 nan 8.240 nan 0.000 0.442 192 T N 2.265 116.496 114.554 -0.539 0.000 2.779 192 T HA 0.281 4.630 4.350 -0.000 0.000 0.280 192 T C 0.493 175.157 174.700 -0.060 0.000 0.987 192 T CA -0.643 61.362 62.100 -0.157 0.000 0.966 192 T CB 0.372 69.332 68.868 0.153 0.000 0.933 192 T HN 0.646 nan 8.240 nan 0.000 0.442 193 H N 2.958 122.089 119.070 0.103 0.000 2.519 193 H HA 0.559 5.115 4.556 -0.000 0.000 0.289 193 H C 0.655 176.091 175.328 0.181 0.000 1.040 193 H CA 0.031 56.160 56.048 0.136 0.000 1.165 193 H CB 0.412 30.279 29.762 0.175 0.000 1.462 193 H HN 0.740 nan 8.280 nan 0.000 0.555 194 A N 0.439 123.436 122.820 0.294 0.000 2.429 194 A HA 0.378 4.698 4.320 -0.000 0.000 0.295 194 A C -0.847 176.949 177.584 0.355 0.000 1.032 194 A CA -0.272 51.964 52.037 0.331 0.000 0.572 194 A CB 0.607 19.843 19.000 0.394 0.000 1.487 194 A HN 0.166 nan 8.150 nan 0.000 0.632 195 T N -1.440 113.350 114.554 0.394 0.000 2.933 195 T HA 0.596 4.946 4.350 -0.000 0.000 0.305 195 T C 0.780 175.633 174.700 0.254 0.000 1.092 195 T CA -0.186 62.106 62.100 0.321 0.000 1.008 195 T CB 0.922 69.974 68.868 0.306 0.000 1.102 195 T HN 0.831 nan 8.240 nan 0.000 0.469 196 L N 1.849 123.186 121.223 0.190 0.000 1.989 196 L HA -0.064 4.276 4.340 -0.000 0.000 0.211 196 L C 2.676 179.618 176.870 0.121 0.000 1.071 196 L CA 1.478 56.397 54.840 0.132 0.000 0.749 196 L CB -0.640 41.385 42.059 -0.056 0.000 0.890 196 L HN 0.690 nan 8.230 nan 0.000 0.431 197 L N -0.632 120.648 121.223 0.096 0.000 2.042 197 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 197 L C 2.683 179.563 176.870 0.018 0.000 1.076 197 L CA 1.418 56.279 54.840 0.034 0.000 0.749 197 L CB -1.361 40.746 42.059 0.080 0.000 0.893 197 L HN 0.391 nan 8.230 nan 0.000 0.432 198 G N 0.102 108.946 108.800 0.073 0.000 2.514 198 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.217 198 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.217 198 G C 1.673 176.159 174.900 -0.689 0.000 1.198 198 G CA 0.751 45.806 45.100 -0.074 0.000 0.780 198 G HN 0.288 nan 8.290 nan 0.000 0.565 199 R N -0.564 119.592 120.500 -0.574 0.000 2.082 199 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 199 R C 2.419 178.342 176.300 -0.629 0.000 1.136 199 R CA 1.744 57.404 56.100 -0.733 0.000 0.935 199 R CB -0.982 29.099 30.300 -0.364 0.000 0.842 199 R HN 0.490 nan 8.270 nan 0.000 0.430 200 Y N 1.454 121.410 120.300 -0.573 0.000 2.165 200 Y HA -0.183 4.367 4.550 -0.000 0.000 0.286 200 Y C 2.506 177.991 175.900 -0.692 0.000 1.155 200 Y CA 1.199 58.805 58.100 -0.823 0.000 1.164 200 Y CB -0.420 37.169 38.460 -1.453 0.000 0.978 200 Y HN 0.001 nan 8.280 nan 0.000 0.513 201 L N -1.603 119.429 121.223 -0.319 0.000 2.079 201 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 201 L C 2.058 178.839 176.870 -0.148 0.000 1.081 201 L CA 1.019 55.839 54.840 -0.033 0.000 0.752 201 L CB -0.667 41.471 42.059 0.131 0.000 0.896 201 L HN 0.334 nan 8.230 nan 0.000 0.433 202 C N -0.329 118.691 119.300 -0.467 0.000 2.562 202 C HA 0.154 4.614 4.460 -0.000 0.000 0.266 202 C C 2.548 177.427 174.990 -0.185 0.000 1.382 202 C CA 0.249 59.035 59.018 -0.387 0.000 1.742 202 C CB -1.104 26.221 27.740 -0.692 0.000 1.812 202 C HN 0.511 nan 8.230 nan 0.000 0.559 203 A N 0.815 123.514 122.820 -0.202 0.000 2.238 203 A HA 0.152 4.472 4.320 -0.000 0.000 0.208 203 A C 1.751 179.325 177.584 -0.016 0.000 1.177 203 A CA 1.234 53.193 52.037 -0.131 0.000 0.804 203 A CB -0.163 18.700 19.000 -0.229 0.000 0.823 203 A HN 0.642 nan 8.150 nan 0.000 0.482 204 S N -1.620 114.094 115.700 0.024 0.000 3.152 204 S HA 0.743 5.213 4.470 -0.000 0.000 0.173 204 S C 0.785 175.406 174.600 0.036 0.000 0.751 204 S CA 0.276 58.512 58.200 0.060 0.000 0.933 204 S CB -0.040 63.229 63.200 0.114 0.000 0.877 204 S HN 1.488 nan 8.310 nan 0.000 0.766 209 F N 0.161 120.209 119.950 0.164 0.000 1.919 209 F HA 0.180 4.707 4.527 -0.000 0.000 0.298 209 F C 0.457 176.265 175.800 0.012 0.000 1.024 209 F CA -0.069 57.954 58.000 0.039 0.000 1.207 209 F CB -0.055 38.906 39.000 -0.066 0.000 1.517 209 F HN 0.302 nan 8.300 nan 0.000 0.549 210 Y N 2.134 122.441 120.300 0.011 0.000 2.574 210 Y HA 0.041 4.591 4.550 -0.000 0.000 0.294 210 Y C 1.468 177.323 175.900 -0.075 0.000 1.142 210 Y CA 1.847 59.856 58.100 -0.151 0.000 1.314 210 Y CB -0.884 37.551 38.460 -0.042 0.000 0.991 210 Y HN 0.304 nan 8.280 nan 0.000 0.555 211 N N -1.224 117.541 118.700 0.109 0.000 2.517 211 N HA 0.010 4.750 4.740 -0.000 0.000 0.202 211 N C 0.328 175.894 175.510 0.093 0.000 1.042 211 N CA 0.705 53.825 53.050 0.117 0.000 0.952 211 N CB -0.109 38.457 38.487 0.133 0.000 1.211 211 N HN 0.194 nan 8.380 nan 0.000 0.458 212 C N 2.031 121.375 119.300 0.073 0.000 2.615 212 C HA 0.572 5.032 4.460 -0.000 0.000 0.503 212 C C 0.962 175.963 174.990 0.018 0.000 1.039 212 C CA -0.874 58.184 59.018 0.067 0.000 1.226 212 C CB -1.958 25.834 27.740 0.086 0.000 1.447 212 C HN 0.539 nan 8.230 nan 0.000 0.572 213 L N -1.289 119.924 121.223 -0.017 0.000 3.316 213 L HA 0.389 4.729 4.340 -0.000 0.000 0.300 213 L C 1.887 178.759 176.870 0.003 0.000 1.128 213 L CA 0.727 55.514 54.840 -0.088 0.000 1.111 213 L CB -0.705 41.106 42.059 -0.413 0.000 1.687 213 L HN 0.408 nan 8.230 nan 0.000 0.594 214 E N 1.342 121.608 120.200 0.110 0.000 2.265 214 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 214 E C 1.066 177.752 176.600 0.144 0.000 0.996 214 E CA 1.511 58.094 56.400 0.304 0.000 0.832 214 E CB 0.149 30.069 29.700 0.366 0.000 0.756 214 E HN 0.747 nan 8.360 nan 0.000 0.491 215 S N -0.413 115.343 115.700 0.094 0.000 2.629 215 S HA 0.151 4.621 4.470 -0.000 0.000 0.236 215 S C 0.450 175.084 174.600 0.057 0.000 1.010 215 S CA -0.161 58.078 58.200 0.065 0.000 0.981 215 S CB 0.084 63.323 63.200 0.065 0.000 0.919 215 S HN 0.149 nan 8.310 nan 0.000 0.514 216 V N 0.322 120.272 119.914 0.059 0.000 2.924 216 V HA 0.427 4.547 4.120 -0.000 0.000 0.305 216 V C -0.054 176.074 176.094 0.056 0.000 1.073 216 V CA -0.570 61.769 62.300 0.065 0.000 1.098 216 V CB 0.281 32.148 31.823 0.074 0.000 1.000 216 V HN 0.267 nan 8.190 nan 0.000 0.484 217 D N 2.002 122.443 120.400 0.067 0.000 2.380 217 D HA 0.360 5.000 4.640 -0.000 0.000 0.230 217 D C 1.009 177.334 176.300 0.041 0.000 1.154 217 D CA 0.149 54.187 54.000 0.063 0.000 0.859 217 D CB 1.416 42.269 40.800 0.087 0.000 1.045 217 D HN 0.640 nan 8.370 nan 0.000 0.495 218 V N 1.748 121.662 119.914 -0.001 0.000 2.255 218 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 218 V C 1.423 177.389 176.094 -0.212 0.000 1.051 218 V CA 1.614 63.837 62.300 -0.128 0.000 1.018 218 V CB -0.542 31.227 31.823 -0.089 0.000 0.641 218 V HN 0.377 nan 8.190 nan 0.000 0.445 219 D N -0.467 119.908 120.400 -0.041 0.000 2.218 219 D HA -0.134 4.505 4.640 -0.000 0.000 0.204 219 D C 2.054 178.421 176.300 0.112 0.000 0.976 219 D CA 1.911 55.969 54.000 0.097 0.000 0.853 219 D CB -0.380 40.538 40.800 0.195 0.000 0.939 219 D HN 0.777 nan 8.370 nan 0.000 0.481 220 H N 1.120 120.172 119.070 -0.029 0.000 2.343 220 H HA 0.003 4.558 4.556 -0.000 0.000 0.303 220 H C 1.643 176.942 175.328 -0.049 0.000 1.068 220 H CA 1.369 57.391 56.048 -0.042 0.000 1.359 220 H CB 0.214 29.952 29.762 -0.040 0.000 1.402 220 H HN -0.065 nan 8.280 nan 0.000 0.515 221 E N 0.702 120.808 120.200 -0.157 0.000 2.110 221 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 221 E C 2.372 178.937 176.600 -0.058 0.000 0.988 221 E CA 0.898 57.205 56.400 -0.156 0.000 0.804 221 E CB -0.674 29.047 29.700 0.034 0.000 0.745 221 E HN 0.575 nan 8.360 nan 0.000 0.458 222 A N 1.620 124.371 122.820 -0.114 0.000 1.859 222 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 222 A C 2.580 180.166 177.584 0.004 0.000 1.198 222 A CA 2.350 54.325 52.037 -0.103 0.000 0.629 222 A CB -1.364 17.538 19.000 -0.164 0.000 0.830 222 A HN 0.360 nan 8.150 nan 0.000 0.446 223 G N -0.630 108.190 108.800 0.033 0.000 2.418 223 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 223 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 223 G C 1.688 176.520 174.900 -0.114 0.000 1.158 223 G CA 1.253 46.341 45.100 -0.020 0.000 0.771 223 G HN 0.677 nan 8.290 nan 0.000 0.545 224 R N -0.590 119.747 120.500 -0.272 0.000 2.103 224 R HA -0.099 4.241 4.340 -0.000 0.000 0.242 224 R C 1.878 177.952 176.300 -0.376 0.000 1.142 224 R CA 1.674 57.520 56.100 -0.422 0.000 0.960 224 R CB -0.479 29.399 30.300 -0.702 0.000 0.858 224 R HN 0.354 nan 8.270 nan 0.000 0.439 225 F N -0.109 119.729 119.950 -0.188 0.000 2.789 225 F HA 0.317 4.844 4.527 -0.000 0.000 0.300 225 F C 1.419 177.115 175.800 -0.172 0.000 1.132 225 F CA 0.832 58.722 58.000 -0.184 0.000 1.404 225 F CB 0.671 39.471 39.000 -0.333 0.000 1.114 225 F HN 0.367 nan 8.300 nan 0.000 0.584 226 G N 0.889 109.694 108.800 0.008 0.000 2.225 226 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.264 226 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.264 226 G C 0.483 175.360 174.900 -0.038 0.000 1.060 226 G CA 0.340 45.456 45.100 0.026 0.000 0.833 226 G HN 0.248 nan 8.290 nan 0.000 0.498 227 I N -0.829 119.656 120.570 -0.143 0.000 4.050 227 I HA 0.196 4.366 4.170 -0.000 0.000 0.327 227 I C 1.689 177.609 176.117 -0.328 0.000 1.473 227 I CA -0.752 60.330 61.300 -0.363 0.000 1.124 227 I CB -0.977 36.697 38.000 -0.544 0.000 1.129 227 I HN 0.305 nan 8.210 nan 0.000 0.428 228 Y N 3.523 123.693 120.300 -0.218 0.000 2.097 228 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 228 Y C 2.958 178.840 175.900 -0.031 0.000 1.152 228 Y CA 2.524 60.585 58.100 -0.065 0.000 1.136 228 Y CB -0.185 38.292 38.460 0.029 0.000 0.975 228 Y HN 0.409 nan 8.280 nan 0.000 0.498 229 H N -0.747 118.370 119.070 0.078 0.000 2.321 229 H HA -0.118 4.437 4.556 -0.000 0.000 0.300 229 H C 2.193 177.452 175.328 -0.115 0.000 1.087 229 H CA 1.669 57.723 56.048 0.011 0.000 1.319 229 H CB -0.888 28.924 29.762 0.083 0.000 1.379 229 H HN 0.310 nan 8.280 nan 0.000 0.501 230 R N 0.117 120.241 120.500 -0.627 0.000 2.083 230 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 230 R C 2.461 178.363 176.300 -0.664 0.000 1.137 230 R CA 1.750 57.413 56.100 -0.729 0.000 0.951 230 R CB -0.679 29.028 30.300 -0.988 0.000 0.851 230 R HN 0.365 nan 8.270 nan 0.000 0.434 231 Y N 0.711 120.645 120.300 -0.611 0.000 2.256 231 Y HA -0.284 4.266 4.550 -0.000 0.000 0.288 231 Y C 2.247 177.914 175.900 -0.388 0.000 1.155 231 Y CA 1.100 58.917 58.100 -0.472 0.000 1.203 231 Y CB -0.308 37.912 38.460 -0.400 0.000 0.980 231 Y HN 0.062 nan 8.280 nan 0.000 0.530 232 C N 0.192 119.235 119.300 -0.428 0.000 2.440 232 C HA -0.123 4.337 4.460 -0.000 0.000 0.278 232 C C 2.715 177.527 174.990 -0.296 0.000 1.295 232 C CA 1.129 59.918 59.018 -0.381 0.000 1.738 232 C CB -1.257 26.333 27.740 -0.250 0.000 1.987 232 C HN 0.620 nan 8.230 nan 0.000 0.492 233 I N 0.469 120.916 120.570 -0.204 0.000 2.353 233 I HA -0.165 4.004 4.170 -0.000 0.000 0.248 233 I C 2.622 178.642 176.117 -0.161 0.000 1.119 233 I CA 1.382 62.629 61.300 -0.089 0.000 1.417 233 I CB -0.648 37.446 38.000 0.157 0.000 1.078 233 I HN 0.450 nan 8.210 nan 0.000 0.421 234 E N 1.371 121.430 120.200 -0.234 0.000 2.047 234 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 234 E C 2.415 178.776 176.600 -0.399 0.000 0.987 234 E CA 1.052 57.332 56.400 -0.200 0.000 0.799 234 E CB 0.054 29.625 29.700 -0.216 0.000 0.752 234 E HN 0.276 nan 8.360 nan 0.000 0.449 235 R N 0.088 120.249 120.500 -0.565 0.000 2.073 235 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 235 R C 2.268 178.362 176.300 -0.344 0.000 1.134 235 R CA 1.295 57.084 56.100 -0.518 0.000 0.952 235 R CB -0.313 29.652 30.300 -0.558 0.000 0.850 235 R HN 0.182 nan 8.270 nan 0.000 0.433 236 A N 1.008 123.658 122.820 -0.284 0.000 1.859 236 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 236 A C 2.415 179.799 177.584 -0.333 0.000 1.198 236 A CA 2.152 54.057 52.037 -0.221 0.000 0.629 236 A CB -1.180 17.703 19.000 -0.196 0.000 0.830 236 A HN 0.561 nan 8.150 nan 0.000 0.446 237 A N -0.368 122.165 122.820 -0.479 0.000 1.917 237 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 237 A C 2.512 179.578 177.584 -0.864 0.000 1.182 237 A CA 2.640 54.224 52.037 -0.754 0.000 0.633 237 A CB -1.123 17.223 19.000 -1.090 0.000 0.819 237 A HN 1.274 nan 8.150 nan 0.000 0.448 238 A N -1.443 120.869 122.820 -0.846 0.000 1.972 238 A HA -0.133 4.186 4.320 -0.000 0.000 0.219 238 A C 1.924 179.074 177.584 -0.723 0.000 1.169 238 A CA 1.862 53.386 52.037 -0.854 0.000 0.635 238 A CB -0.701 17.671 19.000 -1.046 0.000 0.810 238 A HN 0.754 nan 8.150 nan 0.000 0.446 239 H N -1.452 117.375 119.070 -0.404 0.000 2.451 239 H HA 0.071 4.626 4.556 -0.000 0.000 0.294 239 H C 2.541 177.749 175.328 -0.200 0.000 1.028 239 H CA 0.947 56.834 56.048 -0.270 0.000 1.349 239 H CB 0.290 29.915 29.762 -0.228 0.000 1.444 239 H HN 0.465 nan 8.280 nan 0.000 0.538 240 S N 0.937 116.570 115.700 -0.111 0.000 2.353 240 S HA -0.093 4.377 4.470 -0.000 0.000 0.222 240 S C 1.390 175.937 174.600 -0.088 0.000 1.035 240 S CA 0.649 58.778 58.200 -0.119 0.000 1.025 240 S CB -0.344 62.745 63.200 -0.184 0.000 0.902 240 S HN 0.489 nan 8.310 nan 0.000 0.440 241 A N 2.196 124.965 122.820 -0.084 0.000 2.520 241 A HA 0.077 4.397 4.320 -0.000 0.000 0.235 241 A C 1.025 178.618 177.584 0.014 0.000 1.065 241 A CA -0.208 51.828 52.037 -0.002 0.000 0.764 241 A CB 0.030 19.091 19.000 0.101 0.000 1.002 241 A HN 0.285 nan 8.150 nan 0.000 0.502 242 D N 0.319 120.721 120.400 0.004 0.000 2.104 242 D HA -0.079 4.561 4.640 -0.000 0.000 0.194 242 D C 0.312 176.615 176.300 0.006 0.000 0.994 242 D CA 1.691 55.680 54.000 -0.018 0.000 0.830 242 D CB -0.073 40.696 40.800 -0.052 0.000 0.959 242 D HN 0.252 nan 8.370 nan 0.000 0.452 243 V N 1.227 121.152 119.914 0.018 0.000 2.444 243 V HA 0.242 4.362 4.120 -0.000 0.000 0.294 243 V C -0.722 175.442 176.094 0.116 0.000 1.022 243 V CA -0.900 61.414 62.300 0.024 0.000 0.850 243 V CB 1.909 33.695 31.823 -0.062 0.000 0.992 243 V HN -0.067 nan 8.190 nan 0.000 0.426 244 F N 5.172 125.112 119.950 -0.018 0.000 2.427 244 F HA 0.792 5.318 4.527 -0.000 0.000 0.346 244 F C 0.271 176.053 175.800 -0.029 0.000 1.120 244 F CA -0.340 57.673 58.000 0.022 0.000 1.033 244 F CB 1.579 40.608 39.000 0.048 0.000 1.126 244 F HN 0.619 nan 8.300 nan 0.000 0.462 245 T N 1.600 115.749 114.554 -0.675 0.000 2.896 245 T HA 0.805 5.155 4.350 -0.000 0.000 0.297 245 T C -0.305 173.942 174.700 -0.754 0.000 1.108 245 T CA -0.440 61.266 62.100 -0.656 0.000 1.004 245 T CB 1.688 70.325 68.868 -0.386 0.000 1.159 245 T HN 0.760 nan 8.240 nan 0.000 0.499 246 T N -1.933 112.306 114.554 -0.526 0.000 2.858 246 T HA 0.581 4.931 4.350 -0.000 0.000 0.285 246 T C 1.380 175.905 174.700 -0.292 0.000 1.052 246 T CA -0.126 61.748 62.100 -0.378 0.000 1.009 246 T CB 1.066 69.791 68.868 -0.239 0.000 1.241 246 T HN 1.150 nan 8.240 nan 0.000 0.542 247 V N -1.213 118.550 119.914 -0.251 0.000 3.052 247 V HA 0.327 4.447 4.120 -0.000 0.000 0.254 247 V C 0.809 176.825 176.094 -0.130 0.000 1.100 247 V CA 0.905 63.050 62.300 -0.259 0.000 1.112 247 V CB -1.168 30.493 31.823 -0.269 0.000 0.738 247 V HN 1.163 nan 8.190 nan 0.000 0.469 248 S N -2.380 113.316 115.700 -0.007 0.000 2.638 248 S HA 0.443 4.913 4.470 -0.000 0.000 0.274 248 S C 0.320 174.968 174.600 0.079 0.000 1.157 248 S CA -0.600 57.663 58.200 0.105 0.000 0.826 248 S CB 2.014 65.343 63.200 0.214 0.000 1.139 248 S HN 0.040 nan 8.310 nan 0.000 0.474 249 Q N -0.036 119.826 119.800 0.102 0.000 2.119 249 Q HA -0.024 4.316 4.340 -0.000 0.000 0.201 249 Q C 1.822 177.886 176.000 0.107 0.000 0.972 249 Q CA 1.318 57.171 55.803 0.083 0.000 0.847 249 Q CB -0.534 28.241 28.738 0.062 0.000 0.903 249 Q HN 0.805 nan 8.270 nan 0.000 0.433 250 I N 0.485 121.108 120.570 0.089 0.000 2.361 250 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 250 I C 1.643 177.902 176.117 0.237 0.000 1.133 250 I CA 1.550 62.914 61.300 0.106 0.000 1.413 250 I CB -0.267 37.738 38.000 0.008 0.000 1.073 250 I HN 0.070 nan 8.210 nan 0.000 0.424 251 T N 0.304 114.964 114.554 0.177 0.000 3.014 251 T HA 0.125 4.475 4.350 -0.000 0.000 0.263 251 T C 1.873 176.675 174.700 0.170 0.000 1.078 251 T CA 0.845 63.059 62.100 0.191 0.000 1.135 251 T CB -0.284 68.655 68.868 0.118 0.000 0.895 251 T HN 0.429 nan 8.240 nan 0.000 0.480 252 A N 0.849 123.747 122.820 0.130 0.000 2.067 252 A HA 0.073 4.393 4.320 -0.000 0.000 0.219 252 A C 1.839 179.533 177.584 0.183 0.000 1.158 252 A CA 0.788 52.886 52.037 0.102 0.000 0.661 252 A CB -0.747 18.286 19.000 0.055 0.000 0.801 252 A HN 0.519 nan 8.150 nan 0.000 0.452 253 F N 1.614 121.603 119.950 0.065 0.000 2.118 253 F HA -0.091 4.436 4.527 -0.000 0.000 0.293 253 F C 2.285 178.083 175.800 -0.004 0.000 1.102 253 F CA 1.768 59.775 58.000 0.011 0.000 1.247 253 F CB -0.463 38.519 39.000 -0.031 0.000 1.017 253 F HN 0.447 nan 8.300 nan 0.000 0.475 254 E N 0.608 120.738 120.200 -0.118 0.000 2.268 254 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 254 E C 2.008 178.621 176.600 0.021 0.000 0.995 254 E CA 0.984 57.282 56.400 -0.171 0.000 0.836 254 E CB -0.515 29.319 29.700 0.224 0.000 0.763 254 E HN 0.429 nan 8.360 nan 0.000 0.491 255 A N 1.502 124.401 122.820 0.131 0.000 1.968 255 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 255 A C 2.102 179.822 177.584 0.227 0.000 1.169 255 A CA 1.272 53.453 52.037 0.240 0.000 0.638 255 A CB -0.417 18.781 19.000 0.331 0.000 0.812 255 A HN 0.417 nan 8.150 nan 0.000 0.446 256 E N -1.160 119.161 120.200 0.202 0.000 2.152 256 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 256 E C 1.449 178.170 176.600 0.203 0.000 0.983 256 E CA 1.121 57.660 56.400 0.232 0.000 0.818 256 E CB -0.060 29.814 29.700 0.289 0.000 0.758 256 E HN 0.749 nan 8.360 nan 0.000 0.467 257 H N -0.951 118.051 119.070 -0.112 0.000 2.562 257 H HA 0.194 4.750 4.556 -0.000 0.000 0.267 257 H C 1.292 176.599 175.328 -0.034 0.000 0.959 257 H CA 0.531 56.507 56.048 -0.119 0.000 1.204 257 H CB 0.500 30.086 29.762 -0.293 0.000 1.430 257 H HN 0.130 nan 8.280 nan 0.000 0.545 258 L N -0.588 120.719 121.223 0.139 0.000 2.701 258 L HA 0.234 4.574 4.340 -0.000 0.000 0.238 258 L C 0.638 177.655 176.870 0.245 0.000 1.106 258 L CA 0.363 55.308 54.840 0.174 0.000 0.898 258 L CB 0.694 42.861 42.059 0.180 0.000 1.188 258 L HN 0.164 nan 8.230 nan 0.000 0.508 259 L N -0.774 120.541 121.223 0.152 0.000 2.966 259 L HA 0.208 4.548 4.340 -0.000 0.000 0.262 259 L C -0.036 176.816 176.870 -0.031 0.000 1.165 259 L CA -0.206 54.647 54.840 0.023 0.000 0.978 259 L CB 0.435 42.447 42.059 -0.078 0.000 1.337 259 L HN -0.013 nan 8.230 nan 0.000 0.563 260 K N 1.733 122.174 120.400 0.068 0.000 3.451 260 K HA -0.195 4.125 4.320 -0.000 0.000 0.273 260 K C -0.018 176.631 176.600 0.082 0.000 0.944 260 K CA 0.701 57.040 56.287 0.086 0.000 0.734 260 K CB -1.059 31.523 32.500 0.138 0.000 1.437 260 K HN 0.379 nan 8.250 nan 0.000 0.454 261 R N 0.527 121.050 120.500 0.038 0.000 2.879 261 R HA 0.080 4.420 4.340 -0.000 0.000 0.291 261 R C -1.157 175.270 176.300 0.212 0.000 1.246 261 R CA -0.756 55.380 56.100 0.060 0.000 1.083 261 R CB 0.742 30.948 30.300 -0.157 0.000 1.274 261 R HN 0.182 nan 8.270 nan 0.000 0.393 262 K N 5.241 125.751 120.400 0.183 0.000 2.430 262 K HA 0.093 4.413 4.320 -0.000 0.000 0.280 262 K C -2.113 174.621 176.600 0.223 0.000 1.063 262 K CA -0.918 55.485 56.287 0.194 0.000 1.071 262 K CB 0.507 33.090 32.500 0.138 0.000 0.899 262 K HN 0.240 nan 8.250 nan 0.000 0.473 263 P HA -0.031 nan 4.420 nan 0.000 0.267 263 P C -0.385 176.919 177.300 0.006 0.000 1.200 263 P CA -0.113 62.993 63.100 0.011 0.000 0.772 263 P CB 0.601 32.135 31.700 -0.277 0.000 0.855 264 D N 0.632 121.025 120.400 -0.012 0.000 2.269 264 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 264 D C 1.187 177.462 176.300 -0.041 0.000 0.963 264 D CA 1.228 55.223 54.000 -0.010 0.000 0.864 264 D CB 0.112 40.906 40.800 -0.009 0.000 0.936 264 D HN 0.564 nan 8.370 nan 0.000 0.505 265 G N -0.568 108.178 108.800 -0.089 0.000 2.342 265 G HA2 0.378 4.338 3.960 -0.000 0.000 0.297 265 G HA3 0.378 4.338 3.960 -0.000 0.000 0.297 265 G C -1.787 173.039 174.900 -0.123 0.000 1.313 265 G CA -0.742 44.311 45.100 -0.079 0.000 0.830 265 G HN -0.084 nan 8.290 nan 0.000 0.506 266 I N 0.540 121.059 120.570 -0.084 0.000 2.493 266 I HA 0.490 4.660 4.170 -0.000 0.000 0.298 266 I C -0.190 175.857 176.117 -0.117 0.000 0.998 266 I CA -0.944 60.297 61.300 -0.099 0.000 1.137 266 I CB 1.367 39.357 38.000 -0.017 0.000 1.310 266 I HN 0.360 nan 8.210 nan 0.000 0.445 267 L N 6.940 128.053 121.223 -0.184 0.000 2.435 267 L HA 0.346 4.686 4.340 -0.000 0.000 0.253 267 L C -2.340 174.405 176.870 -0.209 0.000 1.087 267 L CA -1.546 53.197 54.840 -0.161 0.000 0.950 267 L CB 0.990 42.858 42.059 -0.318 0.000 1.304 267 L HN 0.232 nan 8.230 nan 0.000 0.453 268 P HA 0.018 nan 4.420 nan 0.000 0.269 268 P C -0.608 176.141 177.300 -0.918 0.000 1.215 268 P CA -0.162 62.452 63.100 -0.810 0.000 0.780 268 P CB 0.495 31.638 31.700 -0.928 0.000 0.898 269 N N 0.937 118.667 118.700 -1.617 0.000 2.430 269 N HA 0.269 5.008 4.740 -0.000 0.000 0.265 269 N C 0.637 175.456 175.510 -1.153 0.000 1.100 269 N CA 0.248 52.586 53.050 -1.186 0.000 0.961 269 N CB 0.702 38.444 38.487 -1.243 0.000 1.075 269 N HN 0.450 nan 8.380 nan 0.000 0.478 270 G N 1.023 108.761 108.800 -1.770 0.000 2.531 270 G HA2 0.721 4.681 3.960 -0.000 0.000 0.313 270 G HA3 0.721 4.681 3.960 -0.000 0.000 0.313 270 G C -0.535 173.584 174.900 -1.302 0.000 1.238 270 G CA -0.437 43.578 45.100 -1.808 0.000 0.994 270 G HN 0.424 nan 8.290 nan 0.000 0.493 271 L N -0.607 120.116 121.223 -0.833 0.000 2.371 271 L HA 0.328 4.668 4.340 -0.000 0.000 0.262 271 L C -0.510 176.307 176.870 -0.088 0.000 1.006 271 L CA -1.058 53.608 54.840 -0.289 0.000 0.818 271 L CB 2.407 44.391 42.059 -0.126 0.000 1.354 271 L HN 0.390 nan 8.230 nan 0.000 0.415 272 N N 1.399 120.149 118.700 0.084 0.000 3.050 272 N HA 0.117 4.857 4.740 -0.000 0.000 0.289 272 N C -0.765 174.739 175.510 -0.011 0.000 1.209 272 N CA -0.104 52.994 53.050 0.080 0.000 1.154 272 N CB -0.019 38.502 38.487 0.056 0.000 1.444 272 N HN 0.264 nan 8.380 nan 0.000 0.529 273 V N 3.238 123.132 119.914 -0.033 0.000 2.434 273 V HA -0.024 4.095 4.120 -0.000 0.000 0.281 273 V C 0.868 176.907 176.094 -0.093 0.000 1.005 273 V CA -0.335 61.926 62.300 -0.064 0.000 1.089 273 V CB -0.160 31.626 31.823 -0.062 0.000 0.978 273 V HN 0.363 nan 8.190 nan 0.000 0.474 274 I N 6.460 126.947 120.570 -0.138 0.000 2.379 274 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 274 I C 0.318 176.243 176.117 -0.319 0.000 1.063 274 I CA 0.278 61.450 61.300 -0.213 0.000 1.351 274 I CB 0.571 38.425 38.000 -0.243 0.000 1.410 274 I HN 0.557 nan 8.210 nan 0.000 0.505 275 K N 5.735 125.978 120.400 -0.262 0.000 2.123 275 K HA 0.498 4.818 4.320 -0.000 0.000 0.259 275 K C -1.093 175.330 176.600 -0.295 0.000 0.960 275 K CA -0.520 55.629 56.287 -0.230 0.000 0.872 275 K CB 0.882 33.339 32.500 -0.072 0.000 1.079 275 K HN 0.315 nan 8.250 nan 0.000 0.440 276 F N 2.033 121.956 119.950 -0.044 0.000 2.385 276 F HA 0.132 4.659 4.527 -0.000 0.000 0.336 276 F C 1.821 177.614 175.800 -0.012 0.000 1.100 276 F CA -0.063 57.916 58.000 -0.036 0.000 1.116 276 F CB 1.356 40.322 39.000 -0.056 0.000 1.166 276 F HN 0.658 nan 8.300 nan 0.000 0.511 277 Q N 2.001 121.906 119.800 0.176 0.000 2.096 277 Q HA -0.080 4.260 4.340 -0.000 0.000 0.204 277 Q C 0.245 176.317 176.000 0.120 0.000 0.982 277 Q CA 1.317 57.188 55.803 0.114 0.000 0.850 277 Q CB 0.048 28.836 28.738 0.084 0.000 0.901 277 Q HN 0.697 nan 8.270 nan 0.000 0.422 278 A N -0.151 122.718 122.820 0.081 0.000 2.252 278 A HA 0.217 4.537 4.320 -0.000 0.000 0.309 278 A C 0.107 177.679 177.584 -0.021 0.000 1.285 278 A CA -0.516 51.505 52.037 -0.026 0.000 0.900 278 A CB -0.042 18.793 19.000 -0.276 0.000 1.157 278 A HN 0.547 nan 8.150 nan 0.000 0.536 279 F N 3.721 123.689 119.950 0.030 0.000 2.202 279 F HA -0.261 4.266 4.527 -0.000 0.000 0.301 279 F C 2.313 178.243 175.800 0.218 0.000 1.082 279 F CA 2.465 60.545 58.000 0.134 0.000 1.313 279 F CB 0.122 39.217 39.000 0.159 0.000 1.024 279 F HN 0.846 nan 8.300 nan 0.000 0.495 280 H N -1.233 118.052 119.070 0.359 0.000 2.556 280 H HA 0.019 4.575 4.556 -0.000 0.000 0.268 280 H C 1.716 177.024 175.328 -0.033 0.000 0.996 280 H CA 0.969 57.144 56.048 0.211 0.000 1.157 280 H CB -0.539 29.322 29.762 0.165 0.000 1.355 280 H HN 0.379 nan 8.280 nan 0.000 0.597 281 E N 2.437 122.394 120.200 -0.406 0.000 2.058 281 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 281 E C 1.985 178.285 176.600 -0.501 0.000 0.997 281 E CA 1.610 57.708 56.400 -0.504 0.000 0.801 281 E CB -0.787 28.503 29.700 -0.683 0.000 0.746 281 E HN 0.526 nan 8.360 nan 0.000 0.450 282 F N 0.705 120.290 119.950 -0.609 0.000 2.287 282 F HA -0.120 4.407 4.527 -0.000 0.000 0.301 282 F C 2.040 177.726 175.800 -0.190 0.000 1.069 282 F CA 1.465 59.221 58.000 -0.406 0.000 1.372 282 F CB -1.006 37.853 39.000 -0.236 0.000 1.056 282 F HN 0.092 nan 8.300 nan 0.000 0.523 283 Q N 1.003 120.214 119.800 -0.982 0.000 2.096 283 Q HA -0.097 4.243 4.340 -0.000 0.000 0.197 283 Q C 1.913 177.745 176.000 -0.281 0.000 0.964 283 Q CA 1.748 57.094 55.803 -0.763 0.000 0.838 283 Q CB -0.380 28.006 28.738 -0.587 0.000 0.906 283 Q HN 0.425 nan 8.270 nan 0.000 0.444 284 N N -0.172 118.399 118.700 -0.216 0.000 2.142 284 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 284 N C 1.669 177.101 175.510 -0.130 0.000 1.023 284 N CA 0.981 53.956 53.050 -0.125 0.000 0.852 284 N CB -0.222 38.206 38.487 -0.098 0.000 0.998 284 N HN 0.277 nan 8.380 nan 0.000 0.424 285 L N 0.368 121.486 121.223 -0.176 0.000 2.042 285 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 285 L C 2.471 179.286 176.870 -0.092 0.000 1.076 285 L CA 1.439 56.201 54.840 -0.130 0.000 0.749 285 L CB -0.590 41.387 42.059 -0.136 0.000 0.893 285 L HN 0.290 nan 8.230 nan 0.000 0.432 286 H N 0.050 119.019 119.070 -0.169 0.000 2.319 286 H HA -0.208 4.348 4.556 -0.000 0.000 0.297 286 H C 2.064 177.326 175.328 -0.110 0.000 1.097 286 H CA 1.900 57.861 56.048 -0.146 0.000 1.285 286 H CB 0.001 29.659 29.762 -0.175 0.000 1.368 286 H HN 0.302 nan 8.280 nan 0.000 0.495 287 A N 0.718 123.396 122.820 -0.237 0.000 1.930 287 A HA -0.053 4.266 4.320 -0.000 0.000 0.217 287 A C 2.624 180.099 177.584 -0.181 0.000 1.175 287 A CA 1.431 53.331 52.037 -0.229 0.000 0.627 287 A CB -0.767 18.194 19.000 -0.065 0.000 0.815 287 A HN 0.492 nan 8.150 nan 0.000 0.443 288 L N -1.184 119.958 121.223 -0.135 0.000 2.027 288 L HA -0.146 4.193 4.340 -0.000 0.000 0.206 288 L C 2.530 179.336 176.870 -0.107 0.000 1.074 288 L CA 1.362 56.146 54.840 -0.094 0.000 0.745 288 L CB -0.408 41.608 42.059 -0.072 0.000 0.898 288 L HN 0.166 nan 8.230 nan 0.000 0.433 289 K N 0.432 120.748 120.400 -0.140 0.000 2.097 289 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 289 K C 1.951 178.449 176.600 -0.170 0.000 1.049 289 K CA 1.218 57.418 56.287 -0.145 0.000 0.933 289 K CB -0.307 32.098 32.500 -0.159 0.000 0.717 289 K HN 0.139 nan 8.250 nan 0.000 0.442 290 K N 0.590 120.849 120.400 -0.235 0.000 2.148 290 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 290 K C 1.642 178.239 176.600 -0.004 0.000 1.050 290 K CA 1.044 57.240 56.287 -0.152 0.000 0.942 290 K CB 0.143 32.487 32.500 -0.259 0.000 0.724 290 K HN -0.030 nan 8.250 nan 0.000 0.446 291 E N 1.139 121.323 120.200 -0.025 0.000 2.153 291 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 291 E C 1.668 178.289 176.600 0.035 0.000 0.988 291 E CA 1.044 57.460 56.400 0.026 0.000 0.811 291 E CB 0.168 29.873 29.700 0.008 0.000 0.746 291 E HN 0.321 nan 8.360 nan 0.000 0.466 292 K N 0.109 120.510 120.400 0.002 0.000 2.057 292 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 292 K C 2.323 178.953 176.600 0.050 0.000 1.050 292 K CA 0.901 57.198 56.287 0.015 0.000 0.935 292 K CB -0.122 32.368 32.500 -0.017 0.000 0.715 292 K HN 0.141 nan 8.250 nan 0.000 0.439 293 I N 1.747 122.316 120.570 -0.002 0.000 2.226 293 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 293 I C 1.761 177.978 176.117 0.168 0.000 1.100 293 I CA 0.984 62.280 61.300 -0.007 0.000 1.374 293 I CB -0.436 37.356 38.000 -0.345 0.000 1.057 293 I HN 0.148 nan 8.210 nan 0.000 0.413 294 N N 0.943 119.760 118.700 0.195 0.000 2.061 294 N HA -0.254 4.485 4.740 -0.000 0.000 0.193 294 N C 1.531 177.139 175.510 0.165 0.000 1.030 294 N CA 1.828 55.033 53.050 0.258 0.000 0.856 294 N CB -0.556 38.056 38.487 0.209 0.000 1.023 294 N HN 0.397 nan 8.380 nan 0.000 0.424 295 D N -0.318 120.157 120.400 0.125 0.000 2.097 295 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 295 D C 1.847 178.214 176.300 0.112 0.000 0.989 295 D CA 0.746 54.793 54.000 0.078 0.000 0.827 295 D CB -0.340 40.501 40.800 0.068 0.000 0.966 295 D HN 0.233 nan 8.370 nan 0.000 0.456 296 F N 0.587 120.581 119.950 0.074 0.000 2.095 296 F HA -0.193 4.334 4.527 0.000 0.000 0.298 296 F C 2.094 178.027 175.800 0.221 0.000 1.104 296 F CA 1.348 59.426 58.000 0.129 0.000 1.232 296 F CB -0.581 38.505 39.000 0.143 0.000 0.987 296 F HN -0.076 nan 8.300 nan 0.000 0.475 297 V N 1.239 121.241 119.914 0.147 0.000 2.343 297 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 297 V C 2.553 178.690 176.094 0.072 0.000 1.051 297 V CA 2.329 64.745 62.300 0.193 0.000 1.036 297 V CB -0.701 31.402 31.823 0.468 0.000 0.654 297 V HN 0.320 nan 8.190 nan 0.000 0.451 298 R N -0.008 120.401 120.500 -0.150 0.000 2.105 298 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 298 R C 2.445 178.623 176.300 -0.204 0.000 1.135 298 R CA 1.511 57.346 56.100 -0.441 0.000 0.967 298 R CB -0.809 29.207 30.300 -0.474 0.000 0.861 298 R HN 0.603 nan 8.270 nan 0.000 0.442 299 G N -0.345 108.370 108.800 -0.141 0.000 2.402 299 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.216 299 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.216 299 G C 1.179 176.064 174.900 -0.024 0.000 1.162 299 G CA 0.998 46.044 45.100 -0.091 0.000 0.777 299 G HN 0.385 nan 8.290 nan 0.000 0.539 300 H N -0.558 118.341 119.070 -0.285 0.000 2.389 300 H HA 0.079 4.635 4.556 0.000 0.000 0.299 300 H C 1.297 176.471 175.328 -0.257 0.000 1.081 300 H CA 1.154 57.015 56.048 -0.312 0.000 1.345 300 H CB -0.108 29.319 29.762 -0.559 0.000 1.393 300 H HN 0.362 nan 8.280 nan 0.000 0.520 301 F N 1.178 121.160 119.950 0.052 0.000 2.645 301 F HA 0.049 4.576 4.527 -0.000 0.000 0.300 301 F C 0.682 176.466 175.800 -0.026 0.000 1.115 301 F CA -0.266 57.785 58.000 0.085 0.000 1.355 301 F CB -0.274 38.923 39.000 0.328 0.000 1.026 301 F HN 0.318 nan 8.300 nan 0.000 0.536 302 H N -0.498 118.589 119.070 0.030 0.000 3.064 302 H HA 0.146 4.702 4.556 -0.000 0.000 0.329 302 H C 1.278 176.631 175.328 0.042 0.000 1.020 302 H CA 0.787 56.831 56.048 -0.007 0.000 1.402 302 H CB 0.625 30.346 29.762 -0.069 0.000 1.379 302 H HN 0.462 nan 8.280 nan 0.000 0.594 303 G N 2.104 110.956 108.800 0.085 0.000 2.212 303 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.266 303 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.266 303 G C 0.431 175.362 174.900 0.051 0.000 0.978 303 G CA 0.352 45.478 45.100 0.044 0.000 0.632 303 G HN 0.800 nan 8.290 nan 0.000 0.537 304 C N -0.095 119.273 119.300 0.114 0.000 3.061 304 C HA 0.462 4.922 4.460 -0.000 0.000 0.249 304 C C -0.099 175.106 174.990 0.359 0.000 2.060 304 C CA -0.986 58.152 59.018 0.200 0.000 1.649 304 C CB -1.029 26.826 27.740 0.192 0.000 3.268 304 C HN 0.440 nan 8.230 nan 0.000 0.457 305 F N 3.890 123.887 119.950 0.078 0.000 2.384 305 F HA 0.371 4.898 4.527 -0.001 0.000 0.359 305 F C 0.783 176.531 175.800 -0.086 0.000 1.143 305 F CA -0.836 57.131 58.000 -0.055 0.000 1.216 305 F CB 0.298 39.237 39.000 -0.102 0.000 1.512 305 F HN 0.426 nan 8.300 nan 0.000 0.573 306 D N 3.647 123.934 120.400 -0.189 0.000 2.479 306 D HA 0.087 4.727 4.640 -0.000 0.000 0.218 306 D C -0.200 176.010 176.300 -0.149 0.000 1.177 306 D CA -0.034 53.881 54.000 -0.141 0.000 0.830 306 D CB -0.865 39.957 40.800 0.037 0.000 1.014 306 D HN 0.259 nan 8.370 nan 0.000 0.503 307 F N -0.606 119.032 119.950 -0.520 0.000 2.618 307 F HA 0.664 5.191 4.527 -0.001 0.000 0.332 307 F C -0.445 175.045 175.800 -0.518 0.000 1.061 307 F CA -1.625 56.124 58.000 -0.418 0.000 0.974 307 F CB 1.004 39.820 39.000 -0.305 0.000 1.310 307 F HN -0.323 nan 8.300 nan 0.000 0.491 308 D N 1.318 121.624 120.400 -0.158 0.000 2.274 308 D HA 0.278 4.918 4.640 -0.000 0.000 0.239 308 D C 0.565 176.846 176.300 -0.031 0.000 1.104 308 D CA -0.353 53.549 54.000 -0.163 0.000 0.840 308 D CB 1.351 42.099 40.800 -0.087 0.000 1.100 308 D HN 0.698 nan 8.370 nan 0.000 0.477 309 L N 2.673 123.894 121.223 -0.003 0.000 2.275 309 L HA -0.064 4.276 4.340 -0.000 0.000 0.215 309 L C 1.335 178.244 176.870 0.066 0.000 1.119 309 L CA 0.763 55.669 54.840 0.110 0.000 0.790 309 L CB -0.097 42.088 42.059 0.210 0.000 0.919 309 L HN 0.483 nan 8.230 nan 0.000 0.443 310 D N -0.178 120.244 120.400 0.037 0.000 2.348 310 D HA -0.145 4.495 4.640 -0.000 0.000 0.216 310 D C 1.135 177.430 176.300 -0.008 0.000 0.970 310 D CA 0.601 54.615 54.000 0.024 0.000 0.889 310 D CB 0.157 40.966 40.800 0.015 0.000 0.912 310 D HN 0.052 nan 8.370 nan 0.000 0.524 311 N N -0.461 118.227 118.700 -0.020 0.000 2.480 311 N HA 0.142 4.882 4.740 -0.000 0.000 0.281 311 N C -1.559 173.910 175.510 -0.068 0.000 1.381 311 N CA -0.054 52.966 53.050 -0.050 0.000 0.903 311 N CB 0.627 39.087 38.487 -0.044 0.000 1.274 311 N HN -0.183 nan 8.380 nan 0.000 0.505 312 T N 0.292 114.791 114.554 -0.092 0.000 2.861 312 T HA 0.515 4.865 4.350 -0.000 0.000 0.287 312 T C -0.359 174.146 174.700 -0.326 0.000 1.003 312 T CA -0.452 61.556 62.100 -0.152 0.000 0.977 312 T CB 1.575 70.425 68.868 -0.030 0.000 0.996 312 T HN -0.015 nan 8.240 nan 0.000 0.448 313 L N 2.654 123.696 121.223 -0.302 0.000 2.334 313 L HA 0.587 4.927 4.340 -0.000 0.000 0.273 313 L C -1.175 175.714 176.870 0.032 0.000 1.013 313 L CA -1.155 53.554 54.840 -0.219 0.000 0.816 313 L CB 1.192 43.270 42.059 0.032 0.000 1.278 313 L HN 0.588 nan 8.230 nan 0.000 0.431 314 Y N 1.887 122.635 120.300 0.746 0.000 2.334 314 Y HA 0.495 5.045 4.550 -0.000 0.000 0.336 314 Y C -0.314 176.084 175.900 0.831 0.000 0.960 314 Y CA -0.865 57.630 58.100 0.659 0.000 1.164 314 Y CB 0.862 39.650 38.460 0.547 0.000 1.155 314 Y HN 0.201 nan 8.280 nan 0.000 0.478 315 F N 4.482 124.760 119.950 0.548 0.000 2.432 315 F HA 0.634 5.161 4.527 0.000 0.000 0.329 315 F C -0.241 175.927 175.800 0.614 0.000 1.076 315 F CA -2.152 56.097 58.000 0.416 0.000 1.018 315 F CB 1.259 40.447 39.000 0.314 0.000 1.201 315 F HN 0.335 nan 8.300 nan 0.000 0.489 316 F N 1.589 121.759 119.950 0.368 0.000 2.654 316 F HA 0.749 5.276 4.527 -0.000 0.000 0.308 316 F C -1.958 173.742 175.800 -0.168 0.000 1.108 316 F CA -1.351 56.832 58.000 0.306 0.000 0.957 316 F CB 1.310 40.593 39.000 0.472 0.000 1.309 316 F HN 0.411 nan 8.300 nan 0.000 0.446 317 I N 2.551 122.986 120.570 -0.224 0.000 2.569 317 I HA 0.919 5.089 4.170 -0.000 0.000 0.296 317 I C -1.357 174.899 176.117 0.233 0.000 1.028 317 I CA -0.823 60.233 61.300 -0.406 0.000 1.082 317 I CB 1.777 39.288 38.000 -0.815 0.000 1.264 317 I HN 1.150 nan 8.210 nan 0.000 0.429 318 A N 4.441 127.504 122.820 0.404 0.000 2.594 318 A HA 0.974 5.294 4.320 -0.000 0.000 0.295 318 A C -0.563 177.180 177.584 0.265 0.000 1.071 318 A CA 0.067 52.353 52.037 0.416 0.000 0.685 318 A CB 1.577 20.983 19.000 0.676 0.000 1.285 318 A HN 1.330 nan 8.150 nan 0.000 0.405 319 G N 0.119 109.025 108.800 0.176 0.000 2.369 319 G HA2 0.384 4.343 3.960 -0.000 0.000 0.293 319 G HA3 0.384 4.343 3.960 -0.000 0.000 0.293 319 G C -1.010 173.979 174.900 0.148 0.000 1.301 319 G CA -1.005 44.175 45.100 0.132 0.000 0.913 319 G HN 0.838 nan 8.290 nan 0.000 0.540 320 R N -1.021 119.572 120.500 0.154 0.000 2.756 320 R HA 0.086 4.426 4.340 -0.000 0.000 0.264 320 R C -0.391 176.028 176.300 0.199 0.000 1.026 320 R CA -0.171 56.030 56.100 0.168 0.000 1.121 320 R CB 0.253 30.645 30.300 0.153 0.000 0.999 320 R HN 0.455 nan 8.270 nan 0.000 0.449 321 Y N 2.704 123.039 120.300 0.059 0.000 2.530 321 Y HA 0.032 4.582 4.550 -0.000 0.000 0.340 321 Y C -0.534 175.422 175.900 0.094 0.000 1.247 321 Y CA -0.412 57.735 58.100 0.080 0.000 1.727 321 Y CB -0.310 38.188 38.460 0.063 0.000 1.613 321 Y HN 0.448 nan 8.280 nan 0.000 0.464 322 E N 5.088 125.526 120.200 0.397 0.000 2.683 322 E HA -0.003 4.346 4.350 -0.000 0.000 0.224 322 E C 0.300 177.082 176.600 0.304 0.000 1.046 322 E CA -0.376 56.197 56.400 0.289 0.000 0.811 322 E CB 0.405 30.217 29.700 0.188 0.000 1.296 322 E HN 0.743 nan 8.360 nan 0.000 0.421 323 Y N 3.200 123.661 120.300 0.268 0.000 2.096 323 Y HA -0.389 4.161 4.550 -0.000 0.000 0.278 323 Y C 1.961 177.933 175.900 0.120 0.000 1.192 323 Y CA 1.983 60.210 58.100 0.211 0.000 1.143 323 Y CB 0.282 38.871 38.460 0.214 0.000 0.963 323 Y HN 0.203 nan 8.280 nan 0.000 0.505 324 K N -0.308 120.140 120.400 0.080 0.000 2.078 324 K HA -0.056 4.263 4.320 -0.000 0.000 0.203 324 K C 1.898 178.511 176.600 0.022 0.000 1.043 324 K CA 1.049 57.313 56.287 -0.038 0.000 0.960 324 K CB -0.262 32.261 32.500 0.038 0.000 0.761 324 K HN 0.157 nan 8.250 nan 0.000 0.448 325 N N 0.379 119.144 118.700 0.109 0.000 2.289 325 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 325 N C 0.788 176.406 175.510 0.181 0.000 1.016 325 N CA 1.136 54.300 53.050 0.190 0.000 0.872 325 N CB 0.255 38.855 38.487 0.189 0.000 0.973 325 N HN -0.026 nan 8.380 nan 0.000 0.433 326 K N -0.896 119.578 120.400 0.123 0.000 2.353 326 K HA 0.271 4.591 4.320 -0.000 0.000 0.195 326 K C 0.587 177.220 176.600 0.056 0.000 1.031 326 K CA 0.478 56.827 56.287 0.104 0.000 1.079 326 K CB 0.183 32.745 32.500 0.105 0.000 0.857 326 K HN 0.193 nan 8.250 nan 0.000 0.535 327 G N 1.452 110.257 108.800 0.009 0.000 2.182 327 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 327 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 327 G C 0.978 175.838 174.900 -0.067 0.000 1.042 327 G CA 0.523 45.603 45.100 -0.034 0.000 0.775 327 G HN 0.334 nan 8.290 nan 0.000 0.501 328 A N 0.553 123.290 122.820 -0.139 0.000 1.933 328 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 328 A C 2.272 179.751 177.584 -0.176 0.000 1.175 328 A CA 2.303 54.283 52.037 -0.096 0.000 0.628 328 A CB -0.325 18.632 19.000 -0.070 0.000 0.814 328 A HN 0.870 nan 8.150 nan 0.000 0.444 329 D N 0.047 120.119 120.400 -0.546 0.000 2.097 329 D HA -0.214 4.426 4.640 -0.000 0.000 0.195 329 D C 1.892 178.115 176.300 -0.129 0.000 0.989 329 D CA 1.642 55.393 54.000 -0.415 0.000 0.827 329 D CB -0.762 39.692 40.800 -0.576 0.000 0.966 329 D HN 0.474 nan 8.370 nan 0.000 0.456 330 M N -0.789 118.759 119.600 -0.086 0.000 2.086 330 M HA -0.066 4.414 4.480 -0.000 0.000 0.261 330 M C 2.251 178.580 176.300 0.049 0.000 1.067 330 M CA 1.060 56.354 55.300 -0.009 0.000 1.116 330 M CB -0.536 32.074 32.600 0.018 0.000 1.348 330 M HN -0.031 nan 8.290 nan 0.000 0.407 331 F N 1.762 121.662 119.950 -0.084 0.000 2.091 331 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 331 F C 2.040 177.816 175.800 -0.040 0.000 1.103 331 F CA 1.635 59.599 58.000 -0.060 0.000 1.228 331 F CB -0.429 38.529 39.000 -0.070 0.000 0.984 331 F HN -0.010 nan 8.300 nan 0.000 0.477 332 I N -0.269 120.230 120.570 -0.119 0.000 2.286 332 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 332 I C 2.325 178.342 176.117 -0.167 0.000 1.104 332 I CA 1.489 62.661 61.300 -0.213 0.000 1.397 332 I CB -0.597 37.355 38.000 -0.081 0.000 1.072 332 I HN 0.114 nan 8.210 nan 0.000 0.417 333 E N 1.787 121.930 120.200 -0.094 0.000 2.077 333 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 333 E C 2.119 178.670 176.600 -0.082 0.000 0.989 333 E CA 1.741 58.097 56.400 -0.073 0.000 0.800 333 E CB -0.160 29.515 29.700 -0.043 0.000 0.746 333 E HN 0.405 nan 8.360 nan 0.000 0.452 334 A N 0.421 123.191 122.820 -0.084 0.000 1.902 334 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 334 A C 2.328 179.852 177.584 -0.100 0.000 1.181 334 A CA 1.460 53.457 52.037 -0.068 0.000 0.623 334 A CB -0.760 18.222 19.000 -0.029 0.000 0.818 334 A HN 0.355 nan 8.150 nan 0.000 0.443 335 L N -0.853 120.249 121.223 -0.202 0.000 2.141 335 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 335 L C 3.049 179.833 176.870 -0.145 0.000 1.094 335 L CA 0.918 55.626 54.840 -0.221 0.000 0.763 335 L CB -0.427 41.394 42.059 -0.395 0.000 0.908 335 L HN 0.446 nan 8.230 nan 0.000 0.437 336 A N 0.072 122.815 122.820 -0.129 0.000 1.930 336 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 336 A C 2.350 179.915 177.584 -0.031 0.000 1.175 336 A CA 1.495 53.482 52.037 -0.084 0.000 0.627 336 A CB -0.354 18.593 19.000 -0.089 0.000 0.815 336 A HN 0.300 nan 8.150 nan 0.000 0.443 337 R N -1.246 119.236 120.500 -0.029 0.000 2.093 337 R HA 0.046 4.386 4.340 -0.000 0.000 0.224 337 R C 2.048 178.380 176.300 0.054 0.000 1.101 337 R CA 1.011 57.122 56.100 0.019 0.000 0.979 337 R CB -0.458 29.839 30.300 -0.005 0.000 0.877 337 R HN 0.474 nan 8.270 nan 0.000 0.441 338 L N 1.418 122.645 121.223 0.006 0.000 2.012 338 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 338 L C 1.787 178.652 176.870 -0.009 0.000 1.073 338 L CA 1.936 56.778 54.840 0.003 0.000 0.748 338 L CB -0.758 41.294 42.059 -0.011 0.000 0.891 338 L HN 0.128 nan 8.230 nan 0.000 0.431 339 N N -1.322 117.364 118.700 -0.024 0.000 2.036 339 N HA -0.345 4.395 4.740 -0.000 0.000 0.195 339 N C 2.032 177.549 175.510 0.013 0.000 1.037 339 N CA 2.188 55.220 53.050 -0.030 0.000 0.855 339 N CB -0.634 37.831 38.487 -0.036 0.000 1.033 339 N HN 0.585 nan 8.380 nan 0.000 0.423 340 Y N 0.892 121.159 120.300 -0.055 0.000 2.165 340 Y HA -0.148 4.401 4.550 -0.000 0.000 0.286 340 Y C 2.358 178.236 175.900 -0.036 0.000 1.155 340 Y CA 1.683 59.758 58.100 -0.040 0.000 1.164 340 Y CB -0.110 38.329 38.460 -0.034 0.000 0.978 340 Y HN 0.067 nan 8.280 nan 0.000 0.513 341 R N -0.092 120.398 120.500 -0.015 0.000 2.081 341 R HA -0.171 4.168 4.340 -0.000 0.000 0.235 341 R C 2.261 178.481 176.300 -0.133 0.000 1.131 341 R CA 1.809 57.857 56.100 -0.087 0.000 0.960 341 R CB -0.551 29.752 30.300 0.006 0.000 0.856 341 R HN 0.409 nan 8.270 nan 0.000 0.436 342 L N 0.665 121.828 121.223 -0.100 0.000 2.093 342 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 342 L C 2.355 179.148 176.870 -0.129 0.000 1.085 342 L CA 1.376 56.155 54.840 -0.101 0.000 0.755 342 L CB -0.292 41.712 42.059 -0.093 0.000 0.904 342 L HN 0.164 nan 8.230 nan 0.000 0.435 343 K N -0.463 119.841 120.400 -0.160 0.000 2.062 343 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 343 K C 2.077 178.550 176.600 -0.211 0.000 1.051 343 K CA 0.898 57.086 56.287 -0.166 0.000 0.941 343 K CB -0.103 32.309 32.500 -0.146 0.000 0.719 343 K HN 0.092 nan 8.250 nan 0.000 0.440 344 V N 1.790 121.504 119.914 -0.334 0.000 2.295 344 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 344 V C 2.319 178.306 176.094 -0.177 0.000 1.049 344 V CA 2.296 64.406 62.300 -0.317 0.000 1.024 344 V CB -0.470 31.081 31.823 -0.452 0.000 0.648 344 V HN 0.431 nan 8.190 nan 0.000 0.447 345 S N -0.071 115.540 115.700 -0.149 0.000 2.607 345 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 345 S C 1.610 176.162 174.600 -0.081 0.000 0.969 345 S CA 0.747 58.890 58.200 -0.096 0.000 0.927 345 S CB 0.147 63.302 63.200 -0.076 0.000 0.772 345 S HN 1.282 nan 8.310 nan 0.000 0.533 346 G N 1.017 109.762 108.800 -0.091 0.000 2.160 346 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 346 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 346 G C 0.119 174.978 174.900 -0.068 0.000 1.008 346 G CA 0.406 45.462 45.100 -0.074 0.000 0.724 346 G HN 0.951 nan 8.290 nan 0.000 0.514 347 S N -0.520 115.136 115.700 -0.074 0.000 2.559 347 S HA 0.313 4.783 4.470 -0.000 0.000 0.282 347 S C 1.556 176.113 174.600 -0.072 0.000 1.336 347 S CA 0.962 59.120 58.200 -0.070 0.000 1.037 347 S CB 0.404 63.559 63.200 -0.075 0.000 0.853 347 S HN 0.433 nan 8.310 nan 0.000 0.523 348 K N 1.880 122.239 120.400 -0.068 0.000 2.358 348 K HA 0.162 4.482 4.320 -0.000 0.000 0.200 348 K C 0.116 176.671 176.600 -0.075 0.000 1.030 348 K CA -0.040 56.207 56.287 -0.066 0.000 1.097 348 K CB 0.315 32.783 32.500 -0.055 0.000 0.862 348 K HN 0.464 nan 8.250 nan 0.000 0.534 349 K N 1.541 121.889 120.400 -0.087 0.000 2.168 349 K HA 0.186 4.506 4.320 -0.000 0.000 0.258 349 K C -0.196 176.319 176.600 -0.142 0.000 1.010 349 K CA 0.233 56.458 56.287 -0.103 0.000 0.929 349 K CB 1.024 33.464 32.500 -0.101 0.000 0.998 349 K HN -0.199 nan 8.250 nan 0.000 0.479 350 T N 0.843 115.294 114.554 -0.172 0.000 2.861 350 T HA 0.333 4.683 4.350 -0.000 0.000 0.287 350 T C -1.012 173.513 174.700 -0.291 0.000 1.003 350 T CA -0.712 61.223 62.100 -0.275 0.000 0.977 350 T CB 1.543 70.172 68.868 -0.399 0.000 0.996 350 T HN 0.139 nan 8.240 nan 0.000 0.448 351 V N 3.610 123.318 119.914 -0.344 0.000 2.384 351 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 351 V C -0.246 175.669 176.094 -0.298 0.000 1.020 351 V CA -0.702 61.352 62.300 -0.410 0.000 0.850 351 V CB 1.718 33.147 31.823 -0.656 0.000 0.987 351 V HN 0.718 nan 8.190 nan 0.000 0.436 352 V N 4.722 124.571 119.914 -0.109 0.000 2.370 352 V HA 0.706 4.826 4.120 -0.000 0.000 0.279 352 V C 0.503 176.643 176.094 0.076 0.000 1.029 352 V CA -0.411 61.902 62.300 0.021 0.000 0.870 352 V CB 1.449 33.430 31.823 0.265 0.000 0.984 352 V HN 0.945 nan 8.190 nan 0.000 0.451 353 A N 5.536 128.347 122.820 -0.015 0.000 2.304 353 A HA 0.852 5.172 4.320 -0.000 0.000 0.323 353 A C -0.943 176.721 177.584 0.134 0.000 1.195 353 A CA -0.334 51.817 52.037 0.191 0.000 0.826 353 A CB 0.398 19.474 19.000 0.126 0.000 1.184 353 A HN 0.624 nan 8.150 nan 0.000 0.496 354 F N 1.813 122.074 119.950 0.518 0.000 2.436 354 F HA 0.515 5.042 4.527 0.000 0.000 0.340 354 F C 0.212 176.286 175.800 0.458 0.000 1.113 354 F CA -0.314 57.963 58.000 0.462 0.000 1.022 354 F CB 1.734 41.041 39.000 0.511 0.000 1.128 354 F HN 0.344 nan 8.300 nan 0.000 0.466 355 I N 4.503 125.403 120.570 0.550 0.000 2.354 355 I HA 0.288 4.458 4.170 -0.000 0.000 0.286 355 I C -0.890 175.489 176.117 0.437 0.000 1.007 355 I CA -0.675 60.876 61.300 0.419 0.000 1.167 355 I CB 1.290 39.437 38.000 0.245 0.000 1.320 355 I HN 0.210 nan 8.210 nan 0.000 0.458 356 V N 7.742 127.855 119.914 0.331 0.000 2.239 356 V HA 0.417 4.537 4.120 -0.000 0.000 0.267 356 V C 0.025 176.218 176.094 0.164 0.000 1.056 356 V CA -0.132 62.311 62.300 0.238 0.000 0.830 356 V CB 0.309 32.221 31.823 0.148 0.000 1.090 356 V HN 0.688 nan 8.190 nan 0.000 0.459 357 M N 5.574 125.253 119.600 0.133 0.000 2.213 357 M HA 0.449 4.929 4.480 -0.000 0.000 0.286 357 M C -2.922 173.328 176.300 -0.084 0.000 1.008 357 M CA -1.674 53.619 55.300 -0.013 0.000 0.937 357 M CB 3.328 35.838 32.600 -0.151 0.000 1.600 357 M HN 0.174 nan 8.290 nan 0.000 0.450 358 P HA 0.237 nan 4.420 nan 0.000 0.267 358 P C -1.195 176.082 177.300 -0.040 0.000 1.209 358 P CA 0.061 62.940 63.100 -0.368 0.000 0.763 358 P CB 0.631 31.881 31.700 -0.750 0.000 0.816 359 A N 3.299 126.079 122.820 -0.067 0.000 2.527 359 A HA 0.518 4.838 4.320 -0.000 0.000 0.293 359 A C -0.679 176.863 177.584 -0.070 0.000 1.117 359 A CA -0.868 51.216 52.037 0.079 0.000 0.723 359 A CB 1.193 20.378 19.000 0.309 0.000 1.313 359 A HN 0.318 nan 8.150 nan 0.000 0.411 360 K N 1.674 122.052 120.400 -0.036 0.000 2.419 360 K HA 0.107 4.427 4.320 -0.000 0.000 0.282 360 K C -0.465 176.090 176.600 -0.075 0.000 1.056 360 K CA 0.522 56.775 56.287 -0.058 0.000 1.035 360 K CB -0.353 32.125 32.500 -0.037 0.000 0.921 360 K HN 0.784 nan 8.250 nan 0.000 0.472 361 N N 0.532 119.171 118.700 -0.101 0.000 2.525 361 N HA 0.210 4.950 4.740 -0.000 0.000 0.270 361 N C -0.694 174.776 175.510 -0.066 0.000 1.321 361 N CA -0.970 52.021 53.050 -0.098 0.000 0.797 361 N CB 0.891 39.273 38.487 -0.175 0.000 1.529 361 N HN 0.143 nan 8.380 nan 0.000 0.491 362 N N 0.609 119.282 118.700 -0.046 0.000 2.546 362 N HA 0.179 4.919 4.740 -0.000 0.000 0.286 362 N C -0.784 174.696 175.510 -0.050 0.000 1.259 362 N CA 0.143 53.171 53.050 -0.037 0.000 0.939 362 N CB -0.084 38.391 38.487 -0.020 0.000 1.243 362 N HN 0.677 nan 8.380 nan 0.000 0.511 363 S N -0.320 115.331 115.700 -0.082 0.000 3.845 363 S HA -0.218 4.252 4.470 -0.000 0.000 0.641 363 S C -0.270 174.117 174.600 -0.355 0.000 1.900 363 S CA -0.436 57.637 58.200 -0.211 0.000 2.062 363 S CB -0.870 62.273 63.200 -0.095 0.000 0.327 363 S HN 0.269 nan 8.310 nan 0.000 1.788 364 F N 2.225 121.959 119.950 -0.360 0.000 2.589 364 F HA 0.298 4.825 4.527 -0.000 0.000 0.352 364 F C 1.709 177.398 175.800 -0.185 0.000 1.168 364 F CA 0.675 58.409 58.000 -0.444 0.000 1.353 364 F CB 0.017 38.819 39.000 -0.330 0.000 1.116 364 F HN 0.649 nan 8.300 nan 0.000 0.608 365 T N -1.239 113.347 114.554 0.054 0.000 2.828 365 T HA 0.235 4.585 4.350 -0.000 0.000 0.290 365 T C 1.031 175.761 174.700 0.049 0.000 1.019 365 T CA -0.945 61.183 62.100 0.046 0.000 1.031 365 T CB 1.193 70.089 68.868 0.047 0.000 1.001 365 T HN 0.346 nan 8.240 nan 0.000 0.531 366 V N 1.036 120.967 119.914 0.028 0.000 2.358 366 V HA -0.089 4.031 4.120 -0.000 0.000 0.246 366 V C 2.868 178.966 176.094 0.005 0.000 1.047 366 V CA 2.232 64.540 62.300 0.013 0.000 1.035 366 V CB -1.074 30.753 31.823 0.006 0.000 0.658 366 V HN 1.015 nan 8.190 nan 0.000 0.452 367 E N 0.960 121.167 120.200 0.012 0.000 2.058 367 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 367 E C 2.153 178.757 176.600 0.007 0.000 0.997 367 E CA 1.867 58.273 56.400 0.010 0.000 0.801 367 E CB -0.567 29.136 29.700 0.005 0.000 0.746 367 E HN 0.507 nan 8.360 nan 0.000 0.450 368 A N 0.281 123.118 122.820 0.029 0.000 1.883 368 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 368 A C 2.377 179.965 177.584 0.008 0.000 1.186 368 A CA 1.751 53.823 52.037 0.060 0.000 0.624 368 A CB -0.833 18.263 19.000 0.159 0.000 0.822 368 A HN 0.338 nan 8.150 nan 0.000 0.444 369 L N -1.100 120.111 121.223 -0.019 0.000 2.072 369 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 369 L C 2.599 179.427 176.870 -0.071 0.000 1.079 369 L CA 1.706 56.509 54.840 -0.063 0.000 0.752 369 L CB -0.396 41.629 42.059 -0.058 0.000 0.906 369 L HN 0.377 nan 8.230 nan 0.000 0.436 370 K N 0.223 120.583 120.400 -0.067 0.000 2.002 370 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 370 K C 2.108 178.602 176.600 -0.176 0.000 1.048 370 K CA 1.494 57.722 56.287 -0.098 0.000 0.930 370 K CB -0.439 32.015 32.500 -0.077 0.000 0.714 370 K HN 0.337 nan 8.250 nan 0.000 0.438 371 G N 1.056 109.732 108.800 -0.206 0.000 2.446 371 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.217 371 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.217 371 G C 1.398 176.153 174.900 -0.241 0.000 1.168 371 G CA 1.376 46.248 45.100 -0.381 0.000 0.771 371 G HN 0.537 nan 8.290 nan 0.000 0.551 372 Q N 0.595 120.318 119.800 -0.128 0.000 2.170 372 Q HA 0.217 4.557 4.340 -0.000 0.000 0.203 372 Q C 2.436 178.377 176.000 -0.098 0.000 0.976 372 Q CA 2.074 57.824 55.803 -0.089 0.000 0.858 372 Q CB -0.457 28.258 28.738 -0.039 0.000 0.907 372 Q HN 0.354 nan 8.270 nan 0.000 0.433 373 A N 0.941 123.696 122.820 -0.108 0.000 1.898 373 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 373 A C 1.912 179.430 177.584 -0.110 0.000 1.181 373 A CA 1.441 53.421 52.037 -0.095 0.000 0.620 373 A CB -0.532 18.417 19.000 -0.085 0.000 0.819 373 A HN 0.585 nan 8.150 nan 0.000 0.442 374 E N -0.351 119.758 120.200 -0.152 0.000 2.204 374 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 374 E C 1.848 178.365 176.600 -0.138 0.000 0.990 374 E CA 1.091 57.398 56.400 -0.156 0.000 0.821 374 E CB -0.203 29.362 29.700 -0.225 0.000 0.750 374 E HN 0.399 nan 8.360 nan 0.000 0.477 375 V N 0.811 120.639 119.914 -0.143 0.000 2.379 375 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 375 V C 2.282 178.314 176.094 -0.104 0.000 1.044 375 V CA 1.516 63.746 62.300 -0.118 0.000 1.036 375 V CB -0.309 31.445 31.823 -0.115 0.000 0.664 375 V HN 0.083 nan 8.190 nan 0.000 0.453 376 R N 0.799 121.244 120.500 -0.092 0.000 2.105 376 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 376 R C 2.188 178.435 176.300 -0.089 0.000 1.135 376 R CA 1.796 57.848 56.100 -0.080 0.000 0.967 376 R CB -0.894 29.370 30.300 -0.060 0.000 0.861 376 R HN 0.496 nan 8.270 nan 0.000 0.442 377 A N 0.106 122.875 122.820 -0.085 0.000 1.930 377 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 377 A C 2.011 179.541 177.584 -0.090 0.000 1.175 377 A CA 1.386 53.376 52.037 -0.078 0.000 0.627 377 A CB -0.638 18.321 19.000 -0.069 0.000 0.815 377 A HN 0.349 nan 8.150 nan 0.000 0.443 378 L N 0.235 121.399 121.223 -0.097 0.000 2.046 378 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 378 L C 2.124 178.904 176.870 -0.149 0.000 1.077 378 L CA 2.433 57.213 54.840 -0.099 0.000 0.747 378 L CB -0.696 41.312 42.059 -0.084 0.000 0.896 378 L HN 0.520 nan 8.230 nan 0.000 0.432 379 E N -0.369 119.715 120.200 -0.193 0.000 2.085 379 E HA -0.232 4.117 4.350 -0.000 0.000 0.194 379 E C 1.875 178.143 176.600 -0.554 0.000 0.994 379 E CA 1.401 57.585 56.400 -0.360 0.000 0.801 379 E CB -0.253 29.270 29.700 -0.295 0.000 0.743 379 E HN 0.569 nan 8.360 nan 0.000 0.453 380 N N 0.181 118.706 118.700 -0.291 0.000 2.120 380 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 380 N C 1.895 177.347 175.510 -0.097 0.000 1.024 380 N CA 1.395 54.352 53.050 -0.156 0.000 0.852 380 N CB -0.665 37.791 38.487 -0.052 0.000 1.003 380 N HN 0.085 nan 8.380 nan 0.000 0.424 381 T N 1.062 115.559 114.554 -0.094 0.000 2.746 381 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 381 T C 2.154 176.827 174.700 -0.045 0.000 1.039 381 T CA 0.796 62.865 62.100 -0.052 0.000 1.142 381 T CB -0.317 68.522 68.868 -0.047 0.000 0.866 381 T HN -0.031 nan 8.240 nan 0.000 0.444 382 V N 1.109 120.968 119.914 -0.092 0.000 2.343 382 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 382 V C 2.183 178.297 176.094 0.035 0.000 1.051 382 V CA 1.763 64.032 62.300 -0.052 0.000 1.036 382 V CB -0.741 31.032 31.823 -0.084 0.000 0.654 382 V HN 0.679 nan 8.190 nan 0.000 0.451 383 H N -0.255 118.811 119.070 -0.007 0.000 2.319 383 H HA -0.193 4.363 4.556 0.000 0.000 0.299 383 H C 2.469 177.793 175.328 -0.007 0.000 1.092 383 H CA 1.685 57.728 56.048 -0.008 0.000 1.302 383 H CB 0.108 29.864 29.762 -0.010 0.000 1.373 383 H HN 0.514 nan 8.280 nan 0.000 0.497 384 E N 0.277 120.547 120.200 0.117 0.000 2.051 384 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 384 E C 2.428 179.053 176.600 0.042 0.000 0.991 384 E CA 1.206 57.641 56.400 0.059 0.000 0.799 384 E CB 0.011 29.731 29.700 0.034 0.000 0.748 384 E HN 0.177 nan 8.360 nan 0.000 0.449 385 V N 1.414 121.349 119.914 0.036 0.000 2.332 385 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 385 V C 2.716 178.829 176.094 0.032 0.000 1.055 385 V CA 2.242 64.558 62.300 0.027 0.000 1.038 385 V CB -0.909 30.925 31.823 0.018 0.000 0.651 385 V HN 0.546 nan 8.190 nan 0.000 0.450 386 T N -2.228 112.353 114.554 0.046 0.000 2.904 386 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 386 T C 1.956 176.674 174.700 0.030 0.000 1.059 386 T CA 1.840 63.965 62.100 0.041 0.000 1.137 386 T CB -0.666 68.235 68.868 0.055 0.000 0.879 386 T HN 0.592 nan 8.240 nan 0.000 0.467 387 T N 0.314 114.884 114.554 0.027 0.000 2.867 387 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 387 T C 2.233 176.941 174.700 0.013 0.000 1.057 387 T CA 1.548 63.654 62.100 0.009 0.000 1.136 387 T CB -0.912 67.955 68.868 -0.001 0.000 0.874 387 T HN 0.372 nan 8.240 nan 0.000 0.466 388 S N 1.208 116.921 115.700 0.020 0.000 2.356 388 S HA 0.072 4.542 4.470 -0.000 0.000 0.223 388 S C 1.920 176.540 174.600 0.033 0.000 1.032 388 S CA 1.420 59.635 58.200 0.024 0.000 1.005 388 S CB -0.475 62.739 63.200 0.023 0.000 0.867 388 S HN 0.553 nan 8.310 nan 0.000 0.449 389 I N 1.460 122.049 120.570 0.031 0.000 2.208 389 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 389 I C 2.676 178.821 176.117 0.047 0.000 1.097 389 I CA 1.183 62.504 61.300 0.034 0.000 1.363 389 I CB -0.902 37.113 38.000 0.026 0.000 1.051 389 I HN 0.373 nan 8.210 nan 0.000 0.413 390 G N 0.875 109.701 108.800 0.043 0.000 2.440 390 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 390 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 390 G C 1.734 176.691 174.900 0.095 0.000 1.154 390 G CA 0.623 45.757 45.100 0.056 0.000 0.767 390 G HN 0.327 nan 8.290 nan 0.000 0.552 391 K N -0.046 120.396 120.400 0.070 0.000 2.147 391 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 391 K C 2.704 179.407 176.600 0.171 0.000 1.049 391 K CA 0.718 57.066 56.287 0.103 0.000 0.936 391 K CB -0.089 32.441 32.500 0.049 0.000 0.722 391 K HN 0.216 nan 8.250 nan 0.000 0.446 392 R N 0.275 120.848 120.500 0.123 0.000 2.127 392 R HA 0.072 4.411 4.340 -0.000 0.000 0.217 392 R C 2.248 178.629 176.300 0.134 0.000 1.074 392 R CA 0.666 56.838 56.100 0.120 0.000 0.991 392 R CB -0.108 30.240 30.300 0.080 0.000 0.895 392 R HN 0.151 nan 8.270 nan 0.000 0.450 393 I N 0.216 120.857 120.570 0.119 0.000 2.252 393 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 393 I C 2.162 178.372 176.117 0.155 0.000 1.102 393 I CA 1.194 62.553 61.300 0.099 0.000 1.385 393 I CB -0.211 37.829 38.000 0.067 0.000 1.064 393 I HN 0.058 nan 8.210 nan 0.000 0.414 394 F N 2.002 121.983 119.950 0.051 0.000 2.126 394 F HA -0.304 4.223 4.527 -0.000 0.000 0.299 394 F C 2.094 177.939 175.800 0.076 0.000 1.096 394 F CA 2.242 60.275 58.000 0.054 0.000 1.255 394 F CB -0.319 38.703 39.000 0.037 0.000 0.997 394 F HN 0.098 nan 8.300 nan 0.000 0.479 395 D N -1.056 119.436 120.400 0.154 0.000 2.084 395 D HA -0.285 4.355 4.640 -0.000 0.000 0.194 395 D C 2.194 178.495 176.300 0.002 0.000 0.990 395 D CA 1.944 55.975 54.000 0.052 0.000 0.826 395 D CB -0.371 40.508 40.800 0.133 0.000 0.971 395 D HN 0.517 nan 8.370 nan 0.000 0.453 396 H N -0.640 118.422 119.070 -0.012 0.000 2.319 396 H HA -0.164 4.392 4.556 -0.000 0.000 0.297 396 H C 1.925 177.237 175.328 -0.027 0.000 1.097 396 H CA 2.371 58.417 56.048 -0.003 0.000 1.285 396 H CB -0.262 29.501 29.762 0.001 0.000 1.368 396 H HN 0.208 nan 8.280 nan 0.000 0.495 397 A N 0.293 123.169 122.820 0.094 0.000 1.902 397 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 397 A C 2.460 180.000 177.584 -0.073 0.000 1.181 397 A CA 1.672 53.713 52.037 0.007 0.000 0.623 397 A CB -0.752 18.213 19.000 -0.058 0.000 0.818 397 A HN 0.604 nan 8.150 nan 0.000 0.443 398 I N -1.677 118.746 120.570 -0.245 0.000 3.251 398 I HA -0.008 4.162 4.170 -0.000 0.000 0.277 398 I C 2.268 178.339 176.117 -0.077 0.000 1.268 398 I CA 0.681 61.840 61.300 -0.235 0.000 1.449 398 I CB -0.056 37.656 38.000 -0.481 0.000 1.083 398 I HN 0.349 nan 8.210 nan 0.000 0.464 399 R N -0.534 119.939 120.500 -0.045 0.000 2.206 399 R HA -0.057 4.283 4.340 -0.000 0.000 0.198 399 R C 0.546 176.877 176.300 0.052 0.000 0.986 399 R CA -0.254 55.857 56.100 0.018 0.000 1.029 399 R CB -0.047 30.233 30.300 -0.034 0.000 0.966 399 R HN 0.227 nan 8.270 nan 0.000 0.487 400 Y N 2.916 123.132 120.300 -0.141 0.000 2.811 400 Y HA 0.012 4.562 4.550 -0.000 0.000 0.334 400 Y C -1.973 173.793 175.900 -0.225 0.000 1.247 400 Y CA -1.336 56.656 58.100 -0.181 0.000 1.526 400 Y CB 1.004 39.394 38.460 -0.116 0.000 1.284 400 Y HN 0.081 nan 8.280 nan 0.000 0.586 401 P HA 0.131 nan 4.420 nan 0.000 0.262 401 P C -0.949 175.961 177.300 -0.651 0.000 1.651 401 P CA 0.179 62.552 63.100 -1.211 0.000 1.119 401 P CB 0.118 30.998 31.700 -1.367 0.000 1.552 402 H N 0.620 119.553 119.070 -0.228 0.000 2.509 402 H HA 0.236 4.792 4.556 -0.000 0.000 0.359 402 H C 0.856 176.119 175.328 -0.109 0.000 1.253 402 H CA -0.133 55.828 56.048 -0.145 0.000 1.373 402 H CB 0.411 30.106 29.762 -0.112 0.000 1.555 402 H HN -0.018 nan 8.280 nan 0.000 0.586 403 N N 0.046 118.782 118.700 0.059 0.000 2.754 403 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 403 N C 0.956 176.461 175.510 -0.007 0.000 1.093 403 N CA 1.062 54.120 53.050 0.015 0.000 0.699 403 N CB -1.479 37.014 38.487 0.009 0.000 1.016 403 N HN 1.073 nan 8.380 nan 0.000 0.552 404 G N -0.928 107.862 108.800 -0.016 0.000 2.148 404 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.254 404 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.254 404 G C 0.051 174.949 174.900 -0.004 0.000 0.981 404 G CA 0.400 45.494 45.100 -0.010 0.000 0.670 404 G HN 0.432 nan 8.290 nan 0.000 0.528 405 L N 1.756 122.962 121.223 -0.029 0.000 2.385 405 L HA 0.355 4.695 4.340 -0.000 0.000 0.281 405 L C 1.952 178.885 176.870 0.105 0.000 1.106 405 L CA 0.337 55.179 54.840 0.003 0.000 0.856 405 L CB 0.847 42.830 42.059 -0.127 0.000 1.186 405 L HN 0.375 nan 8.230 nan 0.000 0.453 406 T N -2.702 111.943 114.554 0.152 0.000 3.040 406 T HA 0.021 4.371 4.350 -0.000 0.000 0.252 406 T C 0.860 175.732 174.700 0.286 0.000 1.064 406 T CA 0.297 62.502 62.100 0.174 0.000 1.110 406 T CB 0.026 68.950 68.868 0.093 0.000 0.921 406 T HN 0.590 nan 8.240 nan 0.000 0.480 407 T N -0.132 114.565 114.554 0.237 0.000 2.925 407 T HA 0.485 4.835 4.350 -0.000 0.000 0.285 407 T C 0.612 175.222 174.700 -0.150 0.000 1.021 407 T CA -0.847 61.296 62.100 0.072 0.000 1.042 407 T CB 2.321 71.209 68.868 0.032 0.000 1.037 407 T HN 0.180 nan 8.240 nan 0.000 0.481 408 E N 0.739 120.576 120.200 -0.605 0.000 2.150 408 E HA 0.114 4.464 4.350 -0.000 0.000 0.193 408 E C 0.264 176.711 176.600 -0.255 0.000 0.985 408 E CA 0.705 56.552 56.400 -0.922 0.000 0.814 408 E CB -0.054 29.219 29.700 -0.712 0.000 0.752 408 E HN 0.503 nan 8.360 nan 0.000 0.466 409 L N 0.667 121.746 121.223 -0.240 0.000 2.341 409 L HA 0.427 4.767 4.340 -0.000 0.000 0.267 409 L C -2.470 174.040 176.870 -0.601 0.000 1.009 409 L CA -2.893 51.730 54.840 -0.362 0.000 0.819 409 L CB 1.552 43.480 42.059 -0.218 0.000 1.323 409 L HN -0.305 nan 8.230 nan 0.000 0.425 410 P HA 0.009 nan 4.420 nan 0.000 0.266 410 P C 0.236 177.400 177.300 -0.227 0.000 1.195 410 P CA 0.101 62.904 63.100 -0.494 0.000 0.768 410 P CB 0.613 32.124 31.700 -0.314 0.000 0.838 411 T N -2.629 111.849 114.554 -0.126 0.000 2.959 411 T HA 0.155 4.505 4.350 -0.000 0.000 0.254 411 T C 0.058 174.731 174.700 -0.045 0.000 1.003 411 T CA 0.022 62.079 62.100 -0.072 0.000 0.950 411 T CB -0.143 68.699 68.868 -0.043 0.000 1.090 411 T HN 0.318 nan 8.240 nan 0.000 0.503 412 D N 0.739 121.117 120.400 -0.037 0.000 2.408 412 D HA 0.363 5.003 4.640 -0.000 0.000 0.243 412 D C 0.990 177.279 176.300 -0.018 0.000 1.075 412 D CA -0.892 53.097 54.000 -0.018 0.000 0.832 412 D CB 1.633 42.432 40.800 -0.002 0.000 1.162 412 D HN -0.040 nan 8.370 nan 0.000 0.515 413 L N 4.178 125.392 121.223 -0.014 0.000 2.129 413 L HA 0.059 4.399 4.340 -0.000 0.000 0.212 413 L C 2.054 178.923 176.870 -0.002 0.000 1.087 413 L CA 2.468 57.301 54.840 -0.010 0.000 0.757 413 L CB -0.713 41.342 42.059 -0.007 0.000 0.896 413 L HN 0.686 nan 8.230 nan 0.000 0.434 414 G N -1.371 107.430 108.800 0.002 0.000 2.479 414 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.220 414 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.220 414 G C 1.487 176.396 174.900 0.014 0.000 1.115 414 G CA 0.754 45.859 45.100 0.008 0.000 0.757 414 G HN 0.590 nan 8.290 nan 0.000 0.560 415 E N -0.332 119.876 120.200 0.014 0.000 2.208 415 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 415 E C 2.206 178.821 176.600 0.026 0.000 0.988 415 E CA 0.447 56.863 56.400 0.026 0.000 0.828 415 E CB -0.059 29.659 29.700 0.029 0.000 0.763 415 E HN 0.513 nan 8.360 nan 0.000 0.478 416 L N -0.018 121.213 121.223 0.013 0.000 2.362 416 L HA 0.222 4.562 4.340 -0.000 0.000 0.204 416 L C 1.068 177.948 176.870 0.017 0.000 1.060 416 L CA -0.035 54.814 54.840 0.016 0.000 0.827 416 L CB 0.355 42.417 42.059 0.004 0.000 1.027 416 L HN 0.068 nan 8.230 nan 0.000 0.474 417 L N 2.030 123.260 121.223 0.012 0.000 2.259 417 L HA 0.292 4.632 4.340 -0.000 0.000 0.288 417 L C -0.366 176.512 176.870 0.012 0.000 1.051 417 L CA -0.351 54.496 54.840 0.012 0.000 0.824 417 L CB 0.755 42.819 42.059 0.008 0.000 1.206 417 L HN 0.047 nan 8.230 nan 0.000 0.429 418 K N 1.830 122.239 120.400 0.014 0.000 2.148 418 K HA 0.319 4.639 4.320 -0.000 0.000 0.239 418 K C 1.050 177.656 176.600 0.011 0.000 1.018 418 K CA -0.441 55.855 56.287 0.014 0.000 0.923 418 K CB 1.269 33.779 32.500 0.016 0.000 1.117 418 K HN 0.412 nan 8.250 nan 0.000 0.477 419 S N 0.361 116.067 115.700 0.010 0.000 2.368 419 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 419 S C 1.926 176.530 174.600 0.007 0.000 1.030 419 S CA 1.762 59.967 58.200 0.008 0.000 0.999 419 S CB -0.136 63.068 63.200 0.008 0.000 0.844 419 S HN 0.669 nan 8.310 nan 0.000 0.459 420 S N 1.250 116.955 115.700 0.007 0.000 2.368 420 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 420 S C 1.454 176.057 174.600 0.005 0.000 1.030 420 S CA 1.451 59.655 58.200 0.006 0.000 0.999 420 S CB -0.543 62.661 63.200 0.007 0.000 0.844 420 S HN 0.427 nan 8.310 nan 0.000 0.459 421 D N 1.047 121.451 120.400 0.007 0.000 2.117 421 D HA -0.057 4.582 4.640 -0.000 0.000 0.197 421 D C 2.033 178.335 176.300 0.004 0.000 0.987 421 D CA 1.011 55.015 54.000 0.006 0.000 0.829 421 D CB -0.245 40.560 40.800 0.009 0.000 0.961 421 D HN 0.485 nan 8.370 nan 0.000 0.460 422 K N 0.484 120.887 120.400 0.004 0.000 2.097 422 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 422 K C 2.242 178.843 176.600 0.001 0.000 1.050 422 K CA 0.430 56.719 56.287 0.003 0.000 0.938 422 K CB -0.049 32.454 32.500 0.004 0.000 0.718 422 K HN -0.016 nan 8.250 nan 0.000 0.442 423 V N 2.798 122.713 119.914 0.001 0.000 2.287 423 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 423 V C 2.429 178.521 176.094 -0.002 0.000 1.053 423 V CA 2.157 64.457 62.300 0.000 0.000 1.027 423 V CB -0.538 31.286 31.823 0.001 0.000 0.646 423 V HN 0.456 nan 8.190 nan 0.000 0.447 424 M N -1.307 118.291 119.600 -0.003 0.000 2.236 424 M HA -0.035 4.445 4.480 -0.000 0.000 0.266 424 M C 2.198 178.491 176.300 -0.011 0.000 1.070 424 M CA 1.895 57.191 55.300 -0.007 0.000 1.137 424 M CB -0.704 31.892 32.600 -0.007 0.000 1.378 424 M HN 0.178 nan 8.290 nan 0.000 0.426 425 L N 0.993 122.211 121.223 -0.009 0.000 2.042 425 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 425 L C 2.673 179.538 176.870 -0.008 0.000 1.076 425 L CA 1.621 56.454 54.840 -0.011 0.000 0.749 425 L CB -0.628 41.427 42.059 -0.006 0.000 0.893 425 L HN 0.379 nan 8.230 nan 0.000 0.432 426 K N -0.338 120.060 120.400 -0.004 0.000 2.097 426 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 426 K C 2.217 178.815 176.600 -0.003 0.000 1.049 426 K CA 1.106 57.392 56.287 -0.001 0.000 0.933 426 K CB -0.093 32.408 32.500 0.001 0.000 0.717 426 K HN 0.288 nan 8.250 nan 0.000 0.442 427 R N 0.312 120.808 120.500 -0.006 0.000 2.115 427 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 427 R C 2.236 178.527 176.300 -0.014 0.000 1.111 427 R CA 0.799 56.894 56.100 -0.009 0.000 0.976 427 R CB -0.058 30.236 30.300 -0.010 0.000 0.870 427 R HN 0.002 nan 8.270 nan 0.000 0.445 428 R N 0.905 121.394 120.500 -0.018 0.000 2.081 428 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 428 R C 2.160 178.448 176.300 -0.020 0.000 1.131 428 R CA 1.229 57.313 56.100 -0.027 0.000 0.960 428 R CB -0.750 29.529 30.300 -0.035 0.000 0.856 428 R HN 0.267 nan 8.270 nan 0.000 0.436 429 I N 0.582 121.147 120.570 -0.008 0.000 2.226 429 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 429 I C 2.196 178.320 176.117 0.013 0.000 1.100 429 I CA 0.783 62.086 61.300 0.006 0.000 1.374 429 I CB -0.318 37.689 38.000 0.010 0.000 1.057 429 I HN 0.046 nan 8.210 nan 0.000 0.413 430 L N 1.185 122.411 121.223 0.006 0.000 2.083 430 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 430 L C 2.431 179.307 176.870 0.009 0.000 1.083 430 L CA 2.036 56.882 54.840 0.009 0.000 0.752 430 L CB -0.698 41.363 42.059 0.004 0.000 0.899 430 L HN 0.179 nan 8.230 nan 0.000 0.433 431 A N -0.928 121.889 122.820 -0.006 0.000 2.066 431 A HA -0.038 4.281 4.320 -0.000 0.000 0.218 431 A C 2.162 179.734 177.584 -0.020 0.000 1.157 431 A CA 1.451 53.476 52.037 -0.020 0.000 0.670 431 A CB -0.684 18.290 19.000 -0.043 0.000 0.804 431 A HN 0.513 nan 8.150 nan 0.000 0.453 432 L N -1.038 120.192 121.223 0.010 0.000 2.418 432 L HA 0.075 4.415 4.340 -0.000 0.000 0.218 432 L C 1.452 178.461 176.870 0.232 0.000 1.125 432 L CA -0.116 54.774 54.840 0.085 0.000 0.835 432 L CB -0.177 41.926 42.059 0.073 0.000 0.953 432 L HN 0.314 nan 8.230 nan 0.000 0.454 433 R N 2.162 122.731 120.500 0.115 0.000 2.585 433 R HA 0.041 4.381 4.340 -0.000 0.000 0.275 433 R C 0.026 176.383 176.300 0.096 0.000 1.018 433 R CA 0.018 56.171 56.100 0.089 0.000 1.072 433 R CB 0.456 30.785 30.300 0.049 0.000 0.953 433 R HN 0.193 nan 8.270 nan 0.000 0.419 434 R N 4.143 124.671 120.500 0.047 0.000 2.732 434 R HA 0.514 4.853 4.340 -0.000 0.000 0.278 434 R C -2.529 173.774 176.300 0.005 0.000 0.976 434 R CA -2.140 53.973 56.100 0.022 0.000 0.963 434 R CB 0.578 30.839 30.300 -0.066 0.000 1.150 434 R HN 0.391 nan 8.270 nan 0.000 0.478 435 P HA -0.139 nan 4.420 nan 0.000 0.266 435 P C -0.639 176.656 177.300 -0.007 0.000 1.180 435 P CA 0.233 63.333 63.100 -0.001 0.000 0.765 435 P CB 0.382 32.079 31.700 -0.005 0.000 0.806 436 E N 1.854 122.051 120.200 -0.004 0.000 2.480 436 E HA 0.232 4.582 4.350 -0.000 0.000 0.258 436 E C 1.349 177.943 176.600 -0.010 0.000 0.984 436 E CA 1.496 57.894 56.400 -0.004 0.000 0.930 436 E CB -0.779 28.919 29.700 -0.002 0.000 0.936 436 E HN 0.697 nan 8.360 nan 0.000 0.466 437 G N 3.439 112.234 108.800 -0.009 0.000 2.179 437 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.260 437 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.260 437 G C 0.211 175.097 174.900 -0.024 0.000 0.977 437 G CA 0.455 45.547 45.100 -0.014 0.000 0.641 437 G HN 0.661 nan 8.290 nan 0.000 0.533 438 Q N 0.071 119.855 119.800 -0.027 0.000 2.288 438 Q HA 0.657 4.997 4.340 -0.000 0.000 0.254 438 Q C 0.161 176.136 176.000 -0.041 0.000 0.932 438 Q CA -0.443 55.336 55.803 -0.039 0.000 0.902 438 Q CB 0.448 29.159 28.738 -0.045 0.000 1.203 438 Q HN 0.457 nan 8.270 nan 0.000 0.415 439 L N 4.634 125.832 121.223 -0.041 0.000 2.322 439 L HA 0.557 4.897 4.340 -0.000 0.000 0.269 439 L C -2.143 174.681 176.870 -0.077 0.000 1.012 439 L CA -2.671 52.156 54.840 -0.022 0.000 0.815 439 L CB 1.611 43.688 42.059 0.029 0.000 1.295 439 L HN 0.629 nan 8.230 nan 0.000 0.438 440 P HA 0.114 nan 4.420 nan 0.000 0.264 440 P C -2.458 174.762 177.300 -0.133 0.000 1.193 440 P CA -0.736 62.184 63.100 -0.299 0.000 0.763 440 P CB -0.147 31.226 31.700 -0.545 0.000 0.810 441 P HA 0.039 nan 4.420 nan 0.000 0.270 441 P C 0.728 178.170 177.300 0.238 0.000 1.227 441 P CA 0.165 63.297 63.100 0.053 0.000 0.788 441 P CB 0.245 31.956 31.700 0.018 0.000 0.926 442 I N -1.722 118.990 120.570 0.236 0.000 3.976 442 I HA 0.375 4.545 4.170 -0.000 0.000 0.337 442 I C 0.019 176.312 176.117 0.295 0.000 1.359 442 I CA -0.004 61.441 61.300 0.243 0.000 1.098 442 I CB 0.464 38.582 38.000 0.196 0.000 1.027 442 I HN -0.023 nan 8.210 nan 0.000 0.394 443 V N 0.974 121.065 119.914 0.296 0.000 2.932 443 V HA 0.335 4.455 4.120 -0.000 0.000 0.307 443 V C 0.948 177.210 176.094 0.280 0.000 1.147 443 V CA 0.201 62.660 62.300 0.265 0.000 0.951 443 V CB 2.436 34.375 31.823 0.193 0.000 1.031 443 V HN 0.373 nan 8.190 nan 0.000 0.426 444 T N 1.273 116.005 114.554 0.297 0.000 3.044 444 T HA 0.331 4.681 4.350 -0.000 0.000 0.250 444 T C 0.391 175.202 174.700 0.185 0.000 1.081 444 T CA 0.600 62.922 62.100 0.370 0.000 1.040 444 T CB -0.248 68.934 68.868 0.523 0.000 0.962 444 T HN 0.714 nan 8.240 nan 0.000 0.506 445 H N 0.709 119.729 119.070 -0.083 0.000 2.771 445 H HA 0.548 5.104 4.556 -0.000 0.000 0.367 445 H C -0.398 174.869 175.328 -0.102 0.000 1.172 445 H CA -1.228 54.719 56.048 -0.169 0.000 1.186 445 H CB 0.778 30.313 29.762 -0.378 0.000 1.790 445 H HN -0.020 nan 8.280 nan 0.000 0.556 446 N N 2.007 120.722 118.700 0.025 0.000 2.442 446 N HA 0.072 4.812 4.740 -0.000 0.000 0.265 446 N C -0.459 175.048 175.510 -0.004 0.000 1.138 446 N CA -0.077 52.981 53.050 0.013 0.000 0.956 446 N CB 0.576 39.065 38.487 0.002 0.000 1.067 446 N HN 0.376 nan 8.380 nan 0.000 0.474 447 M N 2.098 121.698 119.600 0.000 0.000 2.249 447 M HA 0.125 4.605 4.480 -0.000 0.000 0.351 447 M C 1.628 177.927 176.300 -0.003 0.000 1.180 447 M CA -0.401 54.893 55.300 -0.011 0.000 1.127 447 M CB 1.192 33.807 32.600 0.024 0.000 1.546 447 M HN 0.176 nan 8.290 nan 0.000 0.461 448 V N 1.196 121.102 119.914 -0.013 0.000 2.295 448 V HA -0.175 3.944 4.120 -0.000 0.000 0.246 448 V C 0.772 176.867 176.094 0.002 0.000 1.049 448 V CA 1.910 64.205 62.300 -0.009 0.000 1.024 448 V CB -0.344 31.468 31.823 -0.017 0.000 0.648 448 V HN 0.833 nan 8.190 nan 0.000 0.447 449 D N -1.376 119.030 120.400 0.010 0.000 2.441 449 D HA 0.170 4.810 4.640 -0.000 0.000 0.287 449 D C 0.622 176.943 176.300 0.036 0.000 1.198 449 D CA -0.208 53.802 54.000 0.016 0.000 0.894 449 D CB 0.774 41.576 40.800 0.003 0.000 1.070 449 D HN 0.238 nan 8.370 nan 0.000 0.499 450 D N 1.721 122.147 120.400 0.044 0.000 2.092 450 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 450 D C 1.851 178.189 176.300 0.064 0.000 0.994 450 D CA 1.782 55.823 54.000 0.068 0.000 0.828 450 D CB 0.329 41.168 40.800 0.065 0.000 0.963 450 D HN 0.309 nan 8.370 nan 0.000 0.450 451 A N -0.209 122.637 122.820 0.043 0.000 2.024 451 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 451 A C 1.865 179.463 177.584 0.023 0.000 1.164 451 A CA 1.417 53.475 52.037 0.035 0.000 0.643 451 A CB -0.359 18.656 19.000 0.025 0.000 0.806 451 A HN 0.301 nan 8.150 nan 0.000 0.451 452 N N -0.112 118.598 118.700 0.015 0.000 2.230 452 N HA 0.054 4.794 4.740 -0.000 0.000 0.202 452 N C -0.572 174.928 175.510 -0.016 0.000 1.119 452 N CA 0.028 53.074 53.050 -0.007 0.000 0.851 452 N CB 0.094 38.572 38.487 -0.015 0.000 0.990 452 N HN 0.614 nan 8.380 nan 0.000 0.497 453 D N 0.351 120.766 120.400 0.025 0.000 2.351 453 D HA 0.098 4.738 4.640 -0.000 0.000 0.251 453 D C 1.489 177.786 176.300 -0.005 0.000 1.137 453 D CA -0.197 53.840 54.000 0.061 0.000 0.879 453 D CB 1.101 42.013 40.800 0.187 0.000 1.181 453 D HN -0.086 nan 8.370 nan 0.000 0.448 454 L N 3.774 124.954 121.223 -0.071 0.000 2.027 454 L HA -0.139 4.201 4.340 -0.000 0.000 0.206 454 L C 1.958 178.646 176.870 -0.303 0.000 1.074 454 L CA 0.367 54.991 54.840 -0.360 0.000 0.745 454 L CB -0.405 41.221 42.059 -0.721 0.000 0.898 454 L HN 0.653 nan 8.230 nan 0.000 0.433 455 I N 0.199 120.725 120.570 -0.074 0.000 2.127 455 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 455 I C 2.566 178.616 176.117 -0.111 0.000 1.075 455 I CA 1.786 63.001 61.300 -0.142 0.000 1.334 455 I CB -1.096 36.480 38.000 -0.708 0.000 1.040 455 I HN 0.256 nan 8.210 nan 0.000 0.405 456 L N 0.099 121.307 121.223 -0.024 0.000 2.093 456 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 456 L C 2.386 179.276 176.870 0.032 0.000 1.085 456 L CA 1.123 56.001 54.840 0.063 0.000 0.755 456 L CB -0.629 41.533 42.059 0.171 0.000 0.904 456 L HN 0.362 nan 8.230 nan 0.000 0.435 457 N N 0.193 118.894 118.700 0.002 0.000 2.084 457 N HA -0.222 4.518 4.740 -0.000 0.000 0.190 457 N C 1.865 177.370 175.510 -0.009 0.000 1.030 457 N CA 1.233 54.280 53.050 -0.006 0.000 0.849 457 N CB 0.034 38.496 38.487 -0.041 0.000 1.012 457 N HN 0.127 nan 8.380 nan 0.000 0.423 458 K N 1.856 122.250 120.400 -0.010 0.000 2.057 458 K HA 0.010 4.330 4.320 -0.000 0.000 0.207 458 K C 1.927 178.511 176.600 -0.026 0.000 1.049 458 K CA 0.931 57.239 56.287 0.035 0.000 0.931 458 K CB -0.496 32.108 32.500 0.172 0.000 0.714 458 K HN 0.161 nan 8.250 nan 0.000 0.440 459 I N 0.324 120.859 120.570 -0.058 0.000 2.226 459 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 459 I C 2.298 178.264 176.117 -0.252 0.000 1.100 459 I CA 1.376 62.591 61.300 -0.142 0.000 1.374 459 I CB -0.214 37.717 38.000 -0.116 0.000 1.057 459 I HN 0.158 nan 8.210 nan 0.000 0.413 460 R N 0.084 120.498 120.500 -0.144 0.000 2.092 460 R HA -0.165 4.175 4.340 -0.000 0.000 0.231 460 R C 2.343 178.618 176.300 -0.042 0.000 1.119 460 R CA 0.901 56.948 56.100 -0.088 0.000 0.970 460 R CB -0.379 29.998 30.300 0.127 0.000 0.864 460 R HN 0.401 nan 8.270 nan 0.000 0.440 461 Q N 1.228 121.012 119.800 -0.028 0.000 2.050 461 Q HA -0.122 4.217 4.340 -0.000 0.000 0.202 461 Q C 1.917 177.895 176.000 -0.037 0.000 0.980 461 Q CA 2.131 57.930 55.803 -0.007 0.000 0.840 461 Q CB 0.089 28.829 28.738 0.002 0.000 0.898 461 Q HN 0.371 nan 8.270 nan 0.000 0.424 462 V N -1.978 117.885 119.914 -0.086 0.000 3.623 462 V HA 0.082 4.202 4.120 -0.000 0.000 0.271 462 V C 0.433 176.438 176.094 -0.149 0.000 1.248 462 V CA 0.763 63.004 62.300 -0.099 0.000 1.156 462 V CB -0.448 31.314 31.823 -0.101 0.000 0.870 462 V HN 0.421 nan 8.190 nan 0.000 0.453 463 Q N -0.245 119.396 119.800 -0.267 0.000 2.487 463 Q HA -0.176 4.164 4.340 -0.000 0.000 0.279 463 Q C -0.127 175.590 176.000 -0.471 0.000 1.228 463 Q CA 0.668 56.231 55.803 -0.400 0.000 0.873 463 Q CB -1.897 26.863 28.738 0.037 0.000 1.260 463 Q HN 0.673 nan 8.270 nan 0.000 0.471 464 L N 0.991 121.892 121.223 -0.536 0.000 2.375 464 L HA 0.179 4.519 4.340 -0.000 0.000 0.276 464 L C 0.371 177.019 176.870 -0.369 0.000 1.162 464 L CA 0.013 54.658 54.840 -0.325 0.000 0.991 464 L CB -0.077 41.852 42.059 -0.216 0.000 1.315 464 L HN 0.170 nan 8.230 nan 0.000 0.431 465 F N 1.105 121.074 119.950 0.032 0.000 2.668 465 F HA 0.220 4.747 4.527 0.001 0.000 0.301 465 F C 0.878 176.710 175.800 0.054 0.000 1.106 465 F CA -0.621 57.404 58.000 0.041 0.000 1.289 465 F CB -0.168 38.851 39.000 0.032 0.000 1.006 465 F HN 0.461 nan 8.300 nan 0.000 0.535 466 N N -0.064 118.750 118.700 0.190 0.000 2.747 466 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 466 N C 0.015 175.645 175.510 0.200 0.000 1.107 466 N CA 0.768 53.942 53.050 0.206 0.000 0.707 466 N CB -1.640 36.982 38.487 0.225 0.000 1.054 466 N HN 0.118 nan 8.380 nan 0.000 0.555 467 S N 0.674 116.472 115.700 0.162 0.000 2.576 467 S HA 0.117 4.587 4.470 -0.000 0.000 0.272 467 S C -0.848 173.816 174.600 0.107 0.000 1.352 467 S CA -0.748 57.527 58.200 0.125 0.000 1.021 467 S CB 0.793 64.057 63.200 0.105 0.000 0.887 467 S HN 0.118 nan 8.310 nan 0.000 0.542 468 P HA -0.083 nan 4.420 nan 0.000 0.218 468 P C 1.375 178.694 177.300 0.032 0.000 1.149 468 P CA 1.031 64.180 63.100 0.081 0.000 0.817 468 P CB -0.054 31.690 31.700 0.073 0.000 0.785 469 S N -2.523 113.193 115.700 0.026 0.000 2.561 469 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 469 S C 0.663 175.253 174.600 -0.017 0.000 0.977 469 S CA 0.121 58.322 58.200 0.002 0.000 0.926 469 S CB -0.842 62.365 63.200 0.012 0.000 0.769 469 S HN -0.005 nan 8.310 nan 0.000 0.533 470 D N 1.907 122.300 120.400 -0.012 0.000 2.317 470 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 470 D C 0.840 177.072 176.300 -0.112 0.000 1.174 470 D CA -0.191 53.785 54.000 -0.040 0.000 0.866 470 D CB 1.137 41.931 40.800 -0.010 0.000 1.127 470 D HN -0.002 nan 8.370 nan 0.000 0.467 471 R N 1.453 121.877 120.500 -0.128 0.000 2.246 471 R HA 0.110 4.450 4.340 -0.000 0.000 0.199 471 R C -0.238 175.924 176.300 -0.229 0.000 0.984 471 R CA 0.299 56.289 56.100 -0.183 0.000 1.015 471 R CB 0.159 30.372 30.300 -0.145 0.000 0.930 471 R HN 0.230 nan 8.270 nan 0.000 0.475 472 V N 2.699 122.501 119.914 -0.186 0.000 2.384 472 V HA 0.333 4.453 4.120 -0.000 0.000 0.287 472 V C -0.281 175.722 176.094 -0.152 0.000 1.020 472 V CA -0.925 61.253 62.300 -0.203 0.000 0.850 472 V CB 1.810 33.522 31.823 -0.185 0.000 0.987 472 V HN -0.038 nan 8.190 nan 0.000 0.436 473 K N 4.973 125.284 120.400 -0.148 0.000 2.123 473 K HA 0.668 4.988 4.320 -0.000 0.000 0.259 473 K C -0.767 175.829 176.600 -0.006 0.000 0.960 473 K CA -0.699 55.586 56.287 -0.005 0.000 0.872 473 K CB 1.912 34.482 32.500 0.115 0.000 1.079 473 K HN 0.418 nan 8.250 nan 0.000 0.440 474 M N 3.099 122.722 119.600 0.039 0.000 2.321 474 M HA 0.469 4.949 4.480 -0.000 0.000 0.315 474 M C -0.710 175.621 176.300 0.051 0.000 1.052 474 M CA -0.537 54.772 55.300 0.015 0.000 0.936 474 M CB 1.335 33.927 32.600 -0.013 0.000 1.639 474 M HN 0.390 nan 8.290 nan 0.000 0.433 475 I N 4.189 124.778 120.570 0.032 0.000 2.476 475 I HA 0.265 4.435 4.170 -0.000 0.000 0.281 475 I C -1.012 175.294 176.117 0.315 0.000 1.040 475 I CA -0.533 60.821 61.300 0.090 0.000 1.094 475 I CB 1.533 39.462 38.000 -0.119 0.000 1.219 475 I HN 0.481 nan 8.210 nan 0.000 0.450 476 F N 6.937 126.983 119.950 0.161 0.000 2.424 476 F HA 0.300 4.827 4.527 -0.000 0.000 0.356 476 F C 0.122 176.045 175.800 0.205 0.000 1.110 476 F CA -0.300 57.797 58.000 0.162 0.000 1.161 476 F CB 0.258 39.319 39.000 0.101 0.000 1.115 476 F HN 0.387 nan 8.300 nan 0.000 0.507 477 H N 8.598 127.776 119.070 0.179 0.000 2.645 477 H HA 0.333 4.889 4.556 -0.000 0.000 0.257 477 H C -2.495 172.579 175.328 -0.423 0.000 1.269 477 H CA -2.218 53.768 56.048 -0.102 0.000 1.409 477 H CB 1.237 31.025 29.762 0.043 0.000 1.434 477 H HN 0.328 nan 8.280 nan 0.000 0.505 478 P HA 0.116 nan 4.420 nan 0.000 0.228 478 P C -0.324 176.531 177.300 -0.741 0.000 1.748 478 P CA 0.384 62.935 63.100 -0.914 0.000 0.909 478 P CB -0.083 30.936 31.700 -1.136 0.000 1.882 479 E N 0.093 119.980 120.200 -0.522 0.000 2.380 479 E HA 0.286 4.636 4.350 -0.000 0.000 0.281 479 E C -0.949 175.618 176.600 -0.056 0.000 0.999 479 E CA -0.813 55.351 56.400 -0.393 0.000 0.800 479 E CB 0.991 30.397 29.700 -0.490 0.000 1.228 479 E HN -0.216 nan 8.360 nan 0.000 0.436 480 F N 1.921 121.877 119.950 0.010 0.000 2.595 480 F HA 0.098 4.625 4.527 0.000 0.000 0.359 480 F C 0.701 176.524 175.800 0.038 0.000 1.147 480 F CA 0.210 58.211 58.000 0.001 0.000 1.341 480 F CB 0.220 39.199 39.000 -0.035 0.000 1.104 480 F HN 0.311 nan 8.300 nan 0.000 0.603 481 L N 2.828 124.159 121.223 0.181 0.000 2.380 481 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 481 L C -0.094 176.822 176.870 0.077 0.000 1.138 481 L CA -0.062 54.787 54.840 0.016 0.000 0.832 481 L CB 0.683 42.656 42.059 -0.144 0.000 1.124 481 L HN 0.677 nan 8.230 nan 0.000 0.454 482 N N 0.729 119.468 118.700 0.066 0.000 2.324 482 N HA 0.393 5.133 4.740 -0.000 0.000 0.285 482 N C 0.202 175.736 175.510 0.040 0.000 1.076 482 N CA -0.237 52.851 53.050 0.062 0.000 0.864 482 N CB 1.810 40.353 38.487 0.093 0.000 1.632 482 N HN 0.592 nan 8.380 nan 0.000 0.478 483 A N 2.146 124.979 122.820 0.021 0.000 2.172 483 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 483 A C 1.333 178.927 177.584 0.016 0.000 1.154 483 A CA 1.041 53.084 52.037 0.009 0.000 0.701 483 A CB -0.373 18.629 19.000 0.003 0.000 0.789 483 A HN 0.729 nan 8.150 nan 0.000 0.465 484 N N 0.820 119.540 118.700 0.033 0.000 2.494 484 N HA -0.023 4.717 4.740 -0.000 0.000 0.182 484 N C -0.211 175.328 175.510 0.049 0.000 1.076 484 N CA 0.164 53.236 53.050 0.037 0.000 0.908 484 N CB -0.256 38.258 38.487 0.045 0.000 0.967 484 N HN 0.379 nan 8.380 nan 0.000 0.449 485 N N 1.055 119.798 118.700 0.071 0.000 2.518 485 N HA 0.060 4.800 4.740 -0.000 0.000 0.266 485 N C -1.468 174.002 175.510 -0.066 0.000 1.196 485 N CA -1.024 52.078 53.050 0.087 0.000 0.947 485 N CB 0.804 39.432 38.487 0.236 0.000 1.098 485 N HN 0.029 nan 8.380 nan 0.000 0.450 486 P HA -0.056 nan 4.420 nan 0.000 0.218 486 P C 1.249 178.396 177.300 -0.253 0.000 1.149 486 P CA 1.060 64.001 63.100 -0.266 0.000 0.817 486 P CB 0.275 31.743 31.700 -0.386 0.000 0.785 487 I N -5.821 114.550 120.570 -0.332 0.000 3.300 487 I HA 0.203 4.373 4.170 -0.000 0.000 0.279 487 I C 0.613 176.776 176.117 0.077 0.000 1.172 487 I CA 0.325 61.578 61.300 -0.079 0.000 1.431 487 I CB -0.029 37.965 38.000 -0.010 0.000 1.240 487 I HN -0.292 nan 8.210 nan 0.000 0.453 488 L N 3.194 124.392 121.223 -0.042 0.000 2.506 488 L HA 0.583 4.923 4.340 -0.000 0.000 0.247 488 L C 0.570 177.377 176.870 -0.105 0.000 1.141 488 L CA -0.467 54.283 54.840 -0.149 0.000 0.973 488 L CB 0.324 42.095 42.059 -0.480 0.000 1.319 488 L HN 0.219 nan 8.230 nan 0.000 0.455 489 G N 4.358 113.129 108.800 -0.048 0.000 3.090 489 G HA2 0.341 4.301 3.960 -0.000 0.000 0.259 489 G HA3 0.341 4.301 3.960 -0.000 0.000 0.259 489 G C -0.254 174.625 174.900 -0.035 0.000 0.797 489 G CA -0.059 45.022 45.100 -0.032 0.000 2.032 489 G HN 0.423 nan 8.290 nan 0.000 0.614 490 L N 0.642 121.831 121.223 -0.057 0.000 2.386 490 L HA 0.365 4.705 4.340 -0.000 0.000 0.271 490 L C -0.610 176.239 176.870 -0.035 0.000 0.993 490 L CA -1.251 53.561 54.840 -0.047 0.000 0.819 490 L CB 2.253 44.282 42.059 -0.051 0.000 1.294 490 L HN 0.064 nan 8.230 nan 0.000 0.414 491 D N 0.244 120.639 120.400 -0.008 0.000 2.361 491 D HA -0.054 4.585 4.640 -0.000 0.000 0.239 491 D C 0.555 176.879 176.300 0.040 0.000 1.200 491 D CA 0.101 54.114 54.000 0.021 0.000 0.915 491 D CB 0.904 41.717 40.800 0.022 0.000 1.170 491 D HN 0.404 nan 8.370 nan 0.000 0.444 492 Y N 1.552 121.823 120.300 -0.048 0.000 2.114 492 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 492 Y C 1.935 177.836 175.900 0.001 0.000 1.165 492 Y CA 2.330 60.409 58.100 -0.036 0.000 1.148 492 Y CB -0.040 38.398 38.460 -0.037 0.000 0.972 492 Y HN 0.459 nan 8.280 nan 0.000 0.504 493 D N -0.545 119.831 120.400 -0.039 0.000 2.218 493 D HA -0.212 4.428 4.640 -0.000 0.000 0.204 493 D C 1.537 177.760 176.300 -0.129 0.000 0.976 493 D CA 1.662 55.597 54.000 -0.108 0.000 0.853 493 D CB -0.560 40.245 40.800 0.009 0.000 0.939 493 D HN 0.595 nan 8.370 nan 0.000 0.481 494 E N -0.542 119.606 120.200 -0.086 0.000 2.107 494 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 494 E C 1.819 178.330 176.600 -0.148 0.000 0.982 494 E CA 0.406 56.756 56.400 -0.083 0.000 0.809 494 E CB -0.246 29.426 29.700 -0.047 0.000 0.756 494 E HN 0.289 nan 8.360 nan 0.000 0.459 495 F N 1.218 120.958 119.950 -0.351 0.000 2.146 495 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 495 F C 2.009 177.478 175.800 -0.552 0.000 1.096 495 F CA 0.917 58.634 58.000 -0.471 0.000 1.275 495 F CB -0.228 38.441 39.000 -0.553 0.000 1.008 495 F HN -0.225 nan 8.300 nan 0.000 0.480 496 V N 1.393 120.903 119.914 -0.673 0.000 2.255 496 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 496 V C 2.524 178.408 176.094 -0.350 0.000 1.051 496 V CA 2.390 64.282 62.300 -0.681 0.000 1.018 496 V CB -0.837 30.701 31.823 -0.475 0.000 0.641 496 V HN 0.284 nan 8.190 nan 0.000 0.445 497 R N 0.230 120.604 120.500 -0.209 0.000 2.133 497 R HA -0.179 4.161 4.340 -0.000 0.000 0.247 497 R C 2.351 178.634 176.300 -0.028 0.000 1.151 497 R CA 1.643 57.711 56.100 -0.054 0.000 0.971 497 R CB -0.845 29.439 30.300 -0.027 0.000 0.866 497 R HN 0.619 nan 8.270 nan 0.000 0.447 498 G N 0.089 108.752 108.800 -0.228 0.000 2.534 498 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.217 498 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.217 498 G C 0.504 175.255 174.900 -0.247 0.000 1.128 498 G CA 0.070 44.995 45.100 -0.292 0.000 0.784 498 G HN 0.230 nan 8.290 nan 0.000 0.542 499 C N -0.840 118.284 119.300 -0.294 0.000 2.396 499 C HA 0.515 4.975 4.460 -0.000 0.000 0.359 499 C C 1.503 176.501 174.990 0.014 0.000 1.307 499 C CA -0.245 58.709 59.018 -0.105 0.000 2.392 499 C CB 0.852 28.498 27.740 -0.157 0.000 2.245 499 C HN 0.589 nan 8.230 nan 0.000 0.615 500 H N -0.775 118.517 119.070 0.370 0.000 2.604 500 H HA 0.438 4.993 4.556 -0.000 0.000 0.273 500 H C -0.282 175.083 175.328 0.061 0.000 0.971 500 H CA 0.192 56.437 56.048 0.328 0.000 1.249 500 H CB 0.286 30.357 29.762 0.515 0.000 1.449 500 H HN 0.307 nan 8.280 nan 0.000 0.512 501 L N 0.618 121.863 121.223 0.038 0.000 2.562 501 L HA 0.532 4.872 4.340 -0.000 0.000 0.266 501 L C -0.349 176.266 176.870 -0.424 0.000 0.949 501 L CA -0.642 53.932 54.840 -0.444 0.000 0.879 501 L CB 1.616 42.902 42.059 -1.288 0.000 1.278 501 L HN 0.123 nan 8.230 nan 0.000 0.404 502 G N 3.330 111.833 108.800 -0.494 0.000 2.420 502 G HA2 0.581 4.541 3.960 -0.000 0.000 0.284 502 G HA3 0.581 4.541 3.960 -0.000 0.000 0.284 502 G C -1.288 172.828 174.900 -1.307 0.000 1.177 502 G CA -0.422 43.971 45.100 -1.179 0.000 0.841 502 G HN 0.540 nan 8.290 nan 0.000 0.527 503 V N 1.842 120.644 119.914 -1.853 0.000 2.462 503 V HA 0.371 4.491 4.120 -0.000 0.000 0.288 503 V C -1.249 174.049 176.094 -1.327 0.000 1.020 503 V CA -0.587 60.994 62.300 -1.199 0.000 0.857 503 V CB 0.852 32.294 31.823 -0.634 0.000 1.013 503 V HN 0.650 nan 8.190 nan 0.000 0.431 504 F N 5.153 124.944 119.950 -0.265 0.000 2.622 504 F HA 0.439 4.966 4.527 -0.000 0.000 0.338 504 F C -2.392 173.352 175.800 -0.092 0.000 1.334 504 F CA -2.427 55.451 58.000 -0.202 0.000 1.179 504 F CB 1.355 40.240 39.000 -0.193 0.000 1.471 504 F HN 0.293 nan 8.300 nan 0.000 0.576 505 P HA 0.104 nan 4.420 nan 0.000 0.225 505 P C 0.040 177.402 177.300 0.103 0.000 1.768 505 P CA 0.248 63.392 63.100 0.074 0.000 0.943 505 P CB 0.046 31.784 31.700 0.063 0.000 1.936 506 S N 0.250 116.021 115.700 0.117 0.000 2.589 506 S HA 0.065 4.535 4.470 -0.000 0.000 0.265 506 S C 0.494 175.221 174.600 0.211 0.000 1.342 506 S CA -0.008 58.277 58.200 0.141 0.000 1.005 506 S CB 0.539 63.796 63.200 0.096 0.000 0.909 506 S HN 0.323 nan 8.310 nan 0.000 0.555 507 Y N 0.467 120.842 120.300 0.125 0.000 2.569 507 Y HA 0.330 4.880 4.550 0.000 0.000 0.278 507 Y C -0.100 176.010 175.900 0.350 0.000 1.130 507 Y CA 0.148 58.375 58.100 0.212 0.000 1.280 507 Y CB 0.074 38.649 38.460 0.192 0.000 1.379 507 Y HN 0.668 nan 8.280 nan 0.000 0.508 508 Y N 2.394 122.766 120.300 0.120 0.000 2.369 508 Y HA 0.474 5.024 4.550 -0.000 0.000 0.337 508 Y C -0.960 174.992 175.900 0.087 0.000 0.961 508 Y CA -0.888 57.235 58.100 0.038 0.000 1.186 508 Y CB 0.701 39.128 38.460 -0.055 0.000 1.139 508 Y HN 0.223 nan 8.280 nan 0.000 0.494 509 E N 8.172 128.172 120.200 -0.334 0.000 2.738 509 E HA 0.237 4.587 4.350 -0.000 0.000 0.347 509 E C -2.507 173.962 176.600 -0.217 0.000 1.077 509 E CA -1.677 54.602 56.400 -0.201 0.000 0.755 509 E CB 1.164 30.822 29.700 -0.069 0.000 1.576 509 E HN 0.397 nan 8.360 nan 0.000 0.379 510 P HA -0.135 nan 4.420 nan 0.000 0.216 510 P C -0.516 176.854 177.300 0.116 0.000 1.150 510 P CA 1.102 64.157 63.100 -0.074 0.000 0.843 510 P CB 0.181 31.883 31.700 0.002 0.000 0.787 511 W N -0.512 120.698 121.300 -0.150 0.000 3.132 511 W HA 0.442 5.102 4.660 -0.000 0.000 0.337 511 W C -0.650 175.708 176.519 -0.268 0.000 1.082 511 W CA -0.918 56.281 57.345 -0.245 0.000 1.242 511 W CB 1.771 30.976 29.460 -0.425 0.000 1.354 511 W HN -0.171 nan 8.180 nan 0.000 0.461 512 G N 4.538 112.765 108.800 -0.954 0.000 2.916 512 G HA2 0.013 3.973 3.960 -0.000 0.000 0.280 512 G HA3 0.013 3.973 3.960 -0.000 0.000 0.280 512 G C 0.190 174.539 174.900 -0.918 0.000 0.758 512 G CA 0.009 44.653 45.100 -0.760 0.000 1.993 512 G HN 0.666 nan 8.290 nan 0.000 0.564 513 Y N 1.329 121.372 120.300 -0.428 0.000 2.151 513 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 513 Y C 3.080 178.773 175.900 -0.345 0.000 1.166 513 Y CA 2.138 60.123 58.100 -0.190 0.000 1.163 513 Y CB -0.419 38.035 38.460 -0.010 0.000 0.974 513 Y HN 0.436 nan 8.280 nan 0.000 0.511 514 T N 0.354 114.738 114.554 -0.284 0.000 2.668 514 T HA -0.116 4.234 4.350 -0.000 0.000 0.262 514 T C -0.447 173.768 174.700 -0.808 0.000 1.045 514 T CA 1.689 63.499 62.100 -0.483 0.000 1.152 514 T CB -1.402 67.095 68.868 -0.618 0.000 0.864 514 T HN 0.174 nan 8.240 nan 0.000 0.419 515 P HA -0.022 nan 4.420 nan 0.000 0.216 515 P C 1.479 178.142 177.300 -1.062 0.000 1.150 515 P CA 1.290 63.745 63.100 -1.074 0.000 0.837 515 P CB -0.232 30.787 31.700 -1.135 0.000 0.786 516 A N 0.080 122.187 122.820 -1.187 0.000 1.858 516 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 516 A C 2.222 179.645 177.584 -0.269 0.000 1.190 516 A CA 1.724 53.350 52.037 -0.685 0.000 0.617 516 A CB -1.337 17.453 19.000 -0.350 0.000 0.827 516 A HN 0.146 nan 8.150 nan 0.000 0.443 517 E N -1.046 119.041 120.200 -0.188 0.000 2.070 517 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 517 E C 2.129 178.708 176.600 -0.035 0.000 1.004 517 E CA 1.338 57.709 56.400 -0.048 0.000 0.805 517 E CB -0.403 29.320 29.700 0.039 0.000 0.744 517 E HN 0.680 nan 8.360 nan 0.000 0.451 518 C N 0.586 119.845 119.300 -0.068 0.000 2.425 518 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 518 C C 2.852 177.862 174.990 0.033 0.000 1.280 518 C CA 1.570 60.617 59.018 0.048 0.000 1.744 518 C CB -1.021 26.791 27.740 0.120 0.000 1.989 518 C HN 0.457 nan 8.230 nan 0.000 0.491 519 T N 0.048 114.582 114.554 -0.034 0.000 2.777 519 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 519 T C 1.712 176.418 174.700 0.010 0.000 1.040 519 T CA 1.698 63.812 62.100 0.023 0.000 1.141 519 T CB -0.255 68.655 68.868 0.071 0.000 0.868 519 T HN 0.412 nan 8.240 nan 0.000 0.444 520 V N 1.772 121.679 119.914 -0.012 0.000 2.759 520 V HA -0.058 4.062 4.120 -0.000 0.000 0.256 520 V C 2.209 178.285 176.094 -0.031 0.000 1.080 520 V CA 1.071 63.353 62.300 -0.029 0.000 1.101 520 V CB -0.564 31.242 31.823 -0.028 0.000 0.698 520 V HN 0.494 nan 8.190 nan 0.000 0.477 521 M N -0.418 119.189 119.600 0.012 0.000 2.618 521 M HA 0.218 4.698 4.480 -0.000 0.000 0.240 521 M C 1.673 178.035 176.300 0.104 0.000 1.123 521 M CA 1.111 56.446 55.300 0.058 0.000 1.060 521 M CB -0.661 31.973 32.600 0.057 0.000 1.535 521 M HN 0.526 nan 8.290 nan 0.000 0.507 522 G N 1.251 110.068 108.800 0.028 0.000 2.149 522 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.235 522 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.235 522 G C -0.149 174.875 174.900 0.206 0.000 1.018 522 G CA -0.029 45.112 45.100 0.068 0.000 0.728 522 G HN 0.346 nan 8.290 nan 0.000 0.508 523 V N 0.880 120.880 119.914 0.144 0.000 2.417 523 V HA 0.521 4.641 4.120 -0.000 0.000 0.291 523 V C -1.759 174.413 176.094 0.131 0.000 1.024 523 V CA -1.931 60.457 62.300 0.147 0.000 0.861 523 V CB 2.051 33.969 31.823 0.159 0.000 0.985 523 V HN 0.103 nan 8.190 nan 0.000 0.436 524 P HA 0.262 nan 4.420 nan 0.000 0.269 524 P C -0.587 176.736 177.300 0.038 0.000 1.215 524 P CA 0.095 63.260 63.100 0.109 0.000 0.780 524 P CB 0.627 32.429 31.700 0.171 0.000 0.898 525 S N 0.869 116.618 115.700 0.082 0.000 2.556 525 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 525 S C -0.887 173.776 174.600 0.105 0.000 1.135 525 S CA -0.901 57.326 58.200 0.045 0.000 0.858 525 S CB 0.823 64.166 63.200 0.238 0.000 1.114 525 S HN 0.202 nan 8.310 nan 0.000 0.468 526 I N 1.998 122.553 120.570 -0.026 0.000 2.321 526 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 526 I C 0.455 176.644 176.117 0.119 0.000 0.998 526 I CA -0.217 61.115 61.300 0.054 0.000 1.227 526 I CB 1.686 39.663 38.000 -0.039 0.000 1.368 526 I HN 0.823 nan 8.210 nan 0.000 0.466 527 T N 3.559 118.220 114.554 0.178 0.000 2.676 527 T HA 0.689 5.039 4.350 -0.000 0.000 0.269 527 T C -0.355 174.427 174.700 0.137 0.000 0.952 527 T CA -0.301 61.910 62.100 0.185 0.000 1.040 527 T CB 1.849 70.872 68.868 0.259 0.000 1.352 527 T HN 0.734 nan 8.240 nan 0.000 0.554 528 T N -0.117 114.492 114.554 0.091 0.000 2.901 528 T HA 0.407 4.756 4.350 -0.000 0.000 0.293 528 T C 0.794 175.481 174.700 -0.021 0.000 1.084 528 T CA -0.687 61.441 62.100 0.048 0.000 1.008 528 T CB 1.339 70.231 68.868 0.040 0.000 1.170 528 T HN 0.613 nan 8.240 nan 0.000 0.509 529 N N 0.761 119.425 118.700 -0.060 0.000 2.459 529 N HA -0.097 4.643 4.740 -0.000 0.000 0.181 529 N C 1.647 177.020 175.510 -0.229 0.000 1.046 529 N CA 1.318 54.296 53.050 -0.120 0.000 0.904 529 N CB -0.891 37.536 38.487 -0.099 0.000 0.964 529 N HN 0.651 nan 8.380 nan 0.000 0.444 530 V N -3.447 116.287 119.914 -0.300 0.000 3.541 530 V HA 0.178 4.297 4.120 -0.000 0.000 0.267 530 V C 0.934 176.884 176.094 -0.242 0.000 1.213 530 V CA -0.029 61.982 62.300 -0.481 0.000 1.149 530 V CB -0.917 30.396 31.823 -0.850 0.000 0.822 530 V HN 0.270 nan 8.190 nan 0.000 0.462 531 S N 1.172 116.790 115.700 -0.136 0.000 2.545 531 S HA 0.524 4.994 4.470 -0.000 0.000 0.275 531 S C 1.570 176.118 174.600 -0.087 0.000 1.299 531 S CA 0.161 58.305 58.200 -0.093 0.000 1.048 531 S CB 1.165 64.336 63.200 -0.049 0.000 0.938 531 S HN 0.592 nan 8.310 nan 0.000 0.496 532 G N 3.680 112.440 108.800 -0.067 0.000 2.450 532 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 532 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 532 G C 1.023 175.902 174.900 -0.035 0.000 1.130 532 G CA 0.847 45.973 45.100 0.043 0.000 0.760 532 G HN 0.802 nan 8.290 nan 0.000 0.557 533 F N 2.207 121.811 119.950 -0.576 0.000 2.163 533 F HA 0.128 4.655 4.527 -0.000 0.000 0.297 533 F C 2.481 178.118 175.800 -0.271 0.000 1.094 533 F CA 1.454 58.968 58.000 -0.810 0.000 1.290 533 F CB -0.355 38.025 39.000 -1.032 0.000 1.017 533 F HN 0.090 nan 8.300 nan 0.000 0.483 534 G N -0.273 108.414 108.800 -0.188 0.000 2.421 534 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.216 534 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.216 534 G C 1.783 176.570 174.900 -0.189 0.000 1.171 534 G CA 1.156 46.143 45.100 -0.189 0.000 0.775 534 G HN 0.511 nan 8.290 nan 0.000 0.543 535 S N -0.434 115.199 115.700 -0.112 0.000 2.382 535 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 535 S C 2.200 176.768 174.600 -0.053 0.000 1.027 535 S CA 1.528 59.686 58.200 -0.071 0.000 0.991 535 S CB -0.629 62.552 63.200 -0.032 0.000 0.823 535 S HN 0.477 nan 8.310 nan 0.000 0.469 536 Y N 0.957 121.167 120.300 -0.149 0.000 2.293 536 Y HA 0.109 4.659 4.550 -0.000 0.000 0.291 536 Y C 2.291 178.056 175.900 -0.224 0.000 1.137 536 Y CA 1.599 59.629 58.100 -0.116 0.000 1.202 536 Y CB -0.291 38.191 38.460 0.038 0.000 0.990 536 Y HN 0.301 nan 8.280 nan 0.000 0.537 537 M N 0.533 119.919 119.600 -0.358 0.000 2.334 537 M HA -0.064 4.416 4.480 -0.000 0.000 0.266 537 M C 1.884 177.991 176.300 -0.322 0.000 1.082 537 M CA 1.571 56.611 55.300 -0.433 0.000 1.141 537 M CB -0.304 31.959 32.600 -0.562 0.000 1.380 537 M HN 0.477 nan 8.290 nan 0.000 0.440 538 E N -2.015 118.040 120.200 -0.242 0.000 2.481 538 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 538 E C 0.448 176.951 176.600 -0.162 0.000 1.047 538 E CA 0.676 56.977 56.400 -0.166 0.000 0.867 538 E CB -0.174 29.465 29.700 -0.102 0.000 0.858 538 E HN 0.345 nan 8.360 nan 0.000 0.513 539 D N 0.245 120.515 120.400 -0.217 0.000 2.339 539 D HA 0.088 4.728 4.640 -0.000 0.000 0.217 539 D C 1.211 177.364 176.300 -0.245 0.000 1.050 539 D CA 0.203 54.081 54.000 -0.202 0.000 0.856 539 D CB 0.674 41.354 40.800 -0.200 0.000 0.922 539 D HN 0.228 nan 8.370 nan 0.000 0.518 540 L N -0.665 120.378 121.223 -0.300 0.000 2.577 540 L HA 0.269 4.609 4.340 -0.000 0.000 0.225 540 L C -0.305 176.424 176.870 -0.235 0.000 1.053 540 L CA 0.482 55.138 54.840 -0.306 0.000 0.866 540 L CB 0.869 42.672 42.059 -0.427 0.000 1.132 540 L HN -0.231 nan 8.230 nan 0.000 0.486 541 I N -1.035 119.405 120.570 -0.217 0.000 2.686 541 I HA 0.238 4.408 4.170 -0.000 0.000 0.295 541 I C -0.323 175.724 176.117 -0.117 0.000 1.114 541 I CA -0.643 60.553 61.300 -0.173 0.000 1.038 541 I CB 1.672 39.542 38.000 -0.217 0.000 1.238 541 I HN -0.180 nan 8.210 nan 0.000 0.420 542 E N 3.129 123.286 120.200 -0.072 0.000 2.376 542 E HA 0.033 4.383 4.350 -0.000 0.000 0.266 542 E C 0.540 177.120 176.600 -0.033 0.000 1.009 542 E CA 0.418 56.791 56.400 -0.045 0.000 0.902 542 E CB 1.106 30.792 29.700 -0.023 0.000 0.972 542 E HN 0.719 nan 8.360 nan 0.000 0.439 543 T N 4.032 118.571 114.554 -0.025 0.000 2.848 543 T HA -0.191 4.159 4.350 -0.000 0.000 0.269 543 T C 1.353 176.055 174.700 0.003 0.000 1.081 543 T CA 1.758 63.851 62.100 -0.012 0.000 1.125 543 T CB -0.078 68.804 68.868 0.024 0.000 0.848 543 T HN 0.459 nan 8.240 nan 0.000 0.503 544 N N 0.398 119.107 118.700 0.016 0.000 2.305 544 N HA -0.014 4.726 4.740 -0.000 0.000 0.179 544 N C 1.836 177.352 175.510 0.011 0.000 1.019 544 N CA 0.829 53.895 53.050 0.027 0.000 0.869 544 N CB -0.183 38.328 38.487 0.040 0.000 1.000 544 N HN 0.246 nan 8.380 nan 0.000 0.431 545 Q N 0.296 120.110 119.800 0.023 0.000 2.135 545 Q HA -0.046 4.294 4.340 -0.000 0.000 0.204 545 Q C 1.797 177.864 176.000 0.112 0.000 0.981 545 Q CA 1.930 57.774 55.803 0.067 0.000 0.856 545 Q CB -0.448 28.339 28.738 0.081 0.000 0.902 545 Q HN 0.420 nan 8.270 nan 0.000 0.425 546 A N 0.706 123.543 122.820 0.028 0.000 1.892 546 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 546 A C 1.973 179.500 177.584 -0.096 0.000 1.188 546 A CA 2.030 54.059 52.037 -0.013 0.000 0.631 546 A CB -0.585 18.352 19.000 -0.104 0.000 0.822 546 A HN 0.456 nan 8.150 nan 0.000 0.447 547 K N -0.462 119.803 120.400 -0.226 0.000 2.103 547 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 547 K C 1.446 177.854 176.600 -0.321 0.000 1.048 547 K CA 1.469 57.457 56.287 -0.498 0.000 0.930 547 K CB -0.251 32.050 32.500 -0.331 0.000 0.716 547 K HN 0.414 nan 8.250 nan 0.000 0.444 548 D N -0.210 120.102 120.400 -0.148 0.000 2.218 548 D HA -0.144 4.496 4.640 -0.000 0.000 0.204 548 D C 0.938 177.078 176.300 -0.267 0.000 0.976 548 D CA 1.202 55.089 54.000 -0.187 0.000 0.853 548 D CB -0.053 40.610 40.800 -0.229 0.000 0.939 548 D HN 0.301 nan 8.370 nan 0.000 0.481 549 Y N -0.369 119.863 120.300 -0.113 0.000 2.470 549 Y HA 0.297 4.847 4.550 -0.000 0.000 0.284 549 Y C 1.646 177.497 175.900 -0.081 0.000 1.188 549 Y CA 0.137 58.196 58.100 -0.069 0.000 1.269 549 Y CB 0.370 38.792 38.460 -0.062 0.000 1.094 549 Y HN -0.024 nan 8.280 nan 0.000 0.518 550 G N 0.889 109.644 108.800 -0.074 0.000 2.176 550 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 550 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 550 G C -0.307 174.492 174.900 -0.168 0.000 1.024 550 G CA -0.046 44.998 45.100 -0.094 0.000 0.755 550 G HN 0.183 nan 8.290 nan 0.000 0.507 551 I N 0.743 121.120 120.570 -0.321 0.000 2.437 551 I HA 0.345 4.515 4.170 -0.000 0.000 0.279 551 I C -0.498 175.373 176.117 -0.411 0.000 1.028 551 I CA -1.504 59.671 61.300 -0.208 0.000 1.142 551 I CB 0.626 38.578 38.000 -0.079 0.000 1.266 551 I HN 0.077 nan 8.210 nan 0.000 0.461 552 Y N 6.111 126.303 120.300 -0.179 0.000 2.404 552 Y HA 0.460 5.010 4.550 0.000 0.000 0.344 552 Y C 0.633 176.401 175.900 -0.220 0.000 0.970 552 Y CA -0.480 57.348 58.100 -0.452 0.000 1.180 552 Y CB 1.111 39.183 38.460 -0.647 0.000 1.138 552 Y HN 0.338 nan 8.280 nan 0.000 0.510 553 I N 4.823 125.382 120.570 -0.018 0.000 2.307 553 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 553 I C -0.500 175.814 176.117 0.328 0.000 1.021 553 I CA -0.825 60.552 61.300 0.129 0.000 1.224 553 I CB 0.799 38.826 38.000 0.045 0.000 1.376 553 I HN 0.253 nan 8.210 nan 0.000 0.470 554 V N 5.048 125.153 119.914 0.318 0.000 2.583 554 V HA 0.043 4.163 4.120 -0.000 0.000 0.287 554 V C 0.156 176.327 176.094 0.129 0.000 1.051 554 V CA -0.283 62.174 62.300 0.262 0.000 1.010 554 V CB 1.611 33.547 31.823 0.188 0.000 0.988 554 V HN 0.689 nan 8.190 nan 0.000 0.478 555 D N 4.370 124.830 120.400 0.101 0.000 2.325 555 D HA 0.219 4.859 4.640 -0.000 0.000 0.251 555 D C 0.718 177.031 176.300 0.022 0.000 1.196 555 D CA -0.089 53.947 54.000 0.061 0.000 0.866 555 D CB 0.604 41.475 40.800 0.119 0.000 1.101 555 D HN 0.366 nan 8.370 nan 0.000 0.476 556 R N 3.356 123.829 120.500 -0.045 0.000 2.509 556 R HA 0.159 4.499 4.340 -0.000 0.000 0.297 556 R C 1.401 177.645 176.300 -0.093 0.000 0.951 556 R CA -0.074 56.024 56.100 -0.004 0.000 1.103 556 R CB 0.447 30.791 30.300 0.075 0.000 1.283 556 R HN 0.427 nan 8.270 nan 0.000 0.534 557 R N -0.566 119.720 120.500 -0.356 0.000 2.175 557 R HA 0.118 4.458 4.340 -0.000 0.000 0.202 557 R C 0.612 176.522 176.300 -0.651 0.000 1.018 557 R CA 1.045 56.734 56.100 -0.686 0.000 1.029 557 R CB 0.352 29.876 30.300 -1.294 0.000 0.959 557 R HN -0.013 nan 8.270 nan 0.000 0.480 558 F N -0.249 119.709 119.950 0.014 0.000 2.740 558 F HA 0.376 4.903 4.527 -0.000 0.000 0.304 558 F C 0.355 176.174 175.800 0.031 0.000 1.098 558 F CA -0.287 57.723 58.000 0.018 0.000 1.258 558 F CB 0.240 39.236 39.000 -0.006 0.000 1.061 558 F HN -0.334 nan 8.300 nan 0.000 0.598 559 K N 1.160 121.657 120.400 0.163 0.000 2.154 559 K HA 0.617 4.936 4.320 -0.000 0.000 0.264 559 K C 0.172 176.824 176.600 0.086 0.000 1.008 559 K CA -0.475 55.878 56.287 0.110 0.000 0.937 559 K CB 1.091 33.638 32.500 0.078 0.000 1.002 559 K HN 0.046 nan 8.250 nan 0.000 0.469 560 A N 3.035 125.897 122.820 0.071 0.000 2.386 560 A HA 0.198 4.518 4.320 -0.000 0.000 0.248 560 A C -1.761 175.850 177.584 0.045 0.000 1.082 560 A CA -1.209 50.863 52.037 0.059 0.000 0.789 560 A CB -0.092 18.937 19.000 0.048 0.000 1.025 560 A HN 0.511 nan 8.150 nan 0.000 0.490 561 P HA -0.176 nan 4.420 nan 0.000 0.216 561 P C 0.713 178.021 177.300 0.013 0.000 1.153 561 P CA 1.860 64.975 63.100 0.024 0.000 0.858 561 P CB 0.149 31.856 31.700 0.012 0.000 0.789 562 D N -1.074 119.332 120.400 0.010 0.000 2.219 562 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 562 D C 1.829 178.128 176.300 -0.002 0.000 0.970 562 D CA 0.844 54.845 54.000 0.001 0.000 0.851 562 D CB -0.143 40.656 40.800 -0.000 0.000 0.943 562 D HN 0.208 nan 8.370 nan 0.000 0.488 563 E N -0.486 119.718 120.200 0.007 0.000 2.072 563 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 563 E C 2.126 178.721 176.600 -0.009 0.000 0.985 563 E CA 0.840 57.241 56.400 0.002 0.000 0.801 563 E CB 0.037 29.748 29.700 0.019 0.000 0.750 563 E HN 0.119 nan 8.360 nan 0.000 0.452 564 S N 0.482 116.186 115.700 0.006 0.000 2.370 564 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 564 S C 2.193 176.783 174.600 -0.016 0.000 1.033 564 S CA 0.945 59.147 58.200 0.003 0.000 1.011 564 S CB -0.166 63.053 63.200 0.031 0.000 0.852 564 S HN 0.060 nan 8.310 nan 0.000 0.457 565 V N 2.026 121.933 119.914 -0.012 0.000 2.295 565 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 565 V C 2.546 178.618 176.094 -0.037 0.000 1.049 565 V CA 1.541 63.831 62.300 -0.018 0.000 1.024 565 V CB -0.570 31.243 31.823 -0.016 0.000 0.648 565 V HN 0.384 nan 8.190 nan 0.000 0.447 566 E N -0.186 119.990 120.200 -0.041 0.000 2.118 566 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 566 E C 2.192 178.732 176.600 -0.101 0.000 0.992 566 E CA 1.481 57.850 56.400 -0.051 0.000 0.804 566 E CB -0.224 29.454 29.700 -0.037 0.000 0.741 566 E HN 0.713 nan 8.360 nan 0.000 0.458 567 Q N 0.219 119.934 119.800 -0.141 0.000 2.079 567 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 567 Q C 2.315 178.072 176.000 -0.405 0.000 0.974 567 Q CA 0.810 56.432 55.803 -0.302 0.000 0.840 567 Q CB -0.060 28.510 28.738 -0.281 0.000 0.898 567 Q HN 0.168 nan 8.270 nan 0.000 0.430 568 L N 0.217 121.331 121.223 -0.183 0.000 2.012 568 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 568 L C 2.154 179.002 176.870 -0.037 0.000 1.073 568 L CA 1.580 56.385 54.840 -0.058 0.000 0.748 568 L CB -0.719 41.351 42.059 0.018 0.000 0.891 568 L HN 0.090 nan 8.230 nan 0.000 0.431 569 V N -0.011 119.878 119.914 -0.043 0.000 2.287 569 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 569 V C 2.369 178.458 176.094 -0.010 0.000 1.053 569 V CA 1.961 64.255 62.300 -0.010 0.000 1.027 569 V CB -0.944 30.872 31.823 -0.011 0.000 0.646 569 V HN 0.458 nan 8.190 nan 0.000 0.447 570 D N -0.739 119.619 120.400 -0.070 0.000 2.106 570 D HA -0.212 4.428 4.640 -0.000 0.000 0.191 570 D C 2.098 178.422 176.300 0.041 0.000 0.997 570 D CA 1.907 55.876 54.000 -0.052 0.000 0.834 570 D CB -0.433 40.282 40.800 -0.141 0.000 0.956 570 D HN 0.599 nan 8.370 nan 0.000 0.448 571 Y N 0.362 120.640 120.300 -0.037 0.000 2.128 571 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 571 Y C 2.809 178.569 175.900 -0.233 0.000 1.154 571 Y CA 0.492 58.491 58.100 -0.169 0.000 1.149 571 Y CB -0.216 38.105 38.460 -0.232 0.000 0.976 571 Y HN -0.069 nan 8.280 nan 0.000 0.505 572 M N -0.075 119.548 119.600 0.039 0.000 2.080 572 M HA -0.284 4.196 4.480 -0.000 0.000 0.260 572 M C 2.243 178.659 176.300 0.194 0.000 1.068 572 M CA 1.840 57.196 55.300 0.093 0.000 1.109 572 M CB -0.372 32.351 32.600 0.204 0.000 1.342 572 M HN 0.284 nan 8.290 nan 0.000 0.405 573 E N 0.411 120.688 120.200 0.129 0.000 2.106 573 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 573 E C 1.860 178.523 176.600 0.104 0.000 0.984 573 E CA 1.406 57.870 56.400 0.106 0.000 0.806 573 E CB -0.024 29.712 29.700 0.060 0.000 0.750 573 E HN 0.554 nan 8.360 nan 0.000 0.458 574 E N -0.288 119.978 120.200 0.111 0.000 2.077 574 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 574 E C 1.915 178.587 176.600 0.121 0.000 0.989 574 E CA 1.172 57.642 56.400 0.116 0.000 0.800 574 E CB -0.319 29.483 29.700 0.171 0.000 0.746 574 E HN 0.358 nan 8.360 nan 0.000 0.452 575 F N 0.707 120.642 119.950 -0.024 0.000 2.186 575 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 575 F C 1.974 177.809 175.800 0.060 0.000 1.090 575 F CA 1.047 59.046 58.000 -0.002 0.000 1.307 575 F CB -0.031 38.892 39.000 -0.127 0.000 1.019 575 F HN -0.103 nan 8.300 nan 0.000 0.489 576 V N 0.442 120.490 119.914 0.223 0.000 2.594 576 V HA -0.281 3.839 4.120 -0.000 0.000 0.253 576 V C 2.036 178.099 176.094 -0.053 0.000 1.069 576 V CA 1.935 64.303 62.300 0.113 0.000 1.082 576 V CB -0.660 31.244 31.823 0.134 0.000 0.680 576 V HN 0.281 nan 8.190 nan 0.000 0.469 577 K N -0.203 120.168 120.400 -0.049 0.000 2.459 577 K HA 0.053 4.373 4.320 -0.000 0.000 0.193 577 K C 0.654 177.191 176.600 -0.104 0.000 1.030 577 K CA 0.129 56.379 56.287 -0.062 0.000 1.026 577 K CB 0.105 32.590 32.500 -0.024 0.000 0.809 577 K HN 0.473 nan 8.250 nan 0.000 0.504 578 K N 1.616 121.905 120.400 -0.185 0.000 2.319 578 K HA 0.010 4.330 4.320 -0.000 0.000 0.265 578 K C 0.614 177.109 176.600 -0.176 0.000 1.000 578 K CA 0.162 56.330 56.287 -0.199 0.000 0.943 578 K CB 0.632 32.938 32.500 -0.323 0.000 0.950 578 K HN 0.077 nan 8.250 nan 0.000 0.485 579 T N -1.775 112.704 114.554 -0.125 0.000 2.824 579 T HA 0.141 4.491 4.350 -0.000 0.000 0.277 579 T C 1.294 175.934 174.700 -0.099 0.000 0.975 579 T CA -0.680 61.361 62.100 -0.097 0.000 0.966 579 T CB 1.296 70.126 68.868 -0.064 0.000 1.054 579 T HN 0.685 nan 8.240 nan 0.000 0.533 580 R N 0.291 120.751 120.500 -0.068 0.000 2.080 580 R HA -0.112 4.228 4.340 -0.000 0.000 0.236 580 R C 2.640 178.922 176.300 -0.030 0.000 1.137 580 R CA 1.512 57.588 56.100 -0.040 0.000 0.943 580 R CB -0.248 30.043 30.300 -0.015 0.000 0.846 580 R HN 0.684 nan 8.270 nan 0.000 0.431 581 R N 0.128 120.611 120.500 -0.029 0.000 2.091 581 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 581 R C 2.490 178.776 176.300 -0.024 0.000 1.136 581 R CA 2.157 58.244 56.100 -0.021 0.000 0.959 581 R CB -0.339 29.949 30.300 -0.021 0.000 0.856 581 R HN 0.502 nan 8.270 nan 0.000 0.437 582 Q N -0.047 119.728 119.800 -0.042 0.000 2.119 582 Q HA -0.095 4.245 4.340 -0.000 0.000 0.201 582 Q C 2.182 178.156 176.000 -0.043 0.000 0.972 582 Q CA 1.132 56.907 55.803 -0.046 0.000 0.847 582 Q CB -0.039 28.659 28.738 -0.066 0.000 0.903 582 Q HN 0.297 nan 8.270 nan 0.000 0.433 583 R N 0.273 120.734 120.500 -0.067 0.000 2.075 583 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 583 R C 2.240 178.558 176.300 0.029 0.000 1.126 583 R CA 1.078 57.158 56.100 -0.033 0.000 0.963 583 R CB -0.225 30.044 30.300 -0.051 0.000 0.858 583 R HN 0.297 nan 8.270 nan 0.000 0.435 584 I N 0.964 121.541 120.570 0.011 0.000 2.179 584 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 584 I C 2.040 178.191 176.117 0.058 0.000 1.088 584 I CA 1.226 62.536 61.300 0.016 0.000 1.357 584 I CB -0.415 37.589 38.000 0.006 0.000 1.051 584 I HN 0.248 nan 8.210 nan 0.000 0.409 585 N N 0.383 119.109 118.700 0.042 0.000 2.142 585 N HA -0.240 4.500 4.740 -0.000 0.000 0.186 585 N C 1.907 177.452 175.510 0.059 0.000 1.023 585 N CA 1.188 54.267 53.050 0.049 0.000 0.852 585 N CB -0.113 38.379 38.487 0.008 0.000 0.998 585 N HN 0.467 nan 8.380 nan 0.000 0.424 586 Q N 1.301 121.133 119.800 0.053 0.000 2.061 586 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 586 Q C 2.013 178.093 176.000 0.133 0.000 0.984 586 Q CA 1.230 57.074 55.803 0.068 0.000 0.846 586 Q CB 0.121 28.923 28.738 0.107 0.000 0.902 586 Q HN 0.290 nan 8.270 nan 0.000 0.421 587 R N 0.086 120.691 120.500 0.176 0.000 2.083 587 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 587 R C 2.058 178.583 176.300 0.375 0.000 1.137 587 R CA 1.415 57.673 56.100 0.264 0.000 0.951 587 R CB -0.414 30.021 30.300 0.226 0.000 0.851 587 R HN 0.355 nan 8.270 nan 0.000 0.434 588 N N 0.926 119.869 118.700 0.405 0.000 2.061 588 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 588 N C 1.710 177.421 175.510 0.335 0.000 1.030 588 N CA 1.735 55.085 53.050 0.499 0.000 0.856 588 N CB -0.464 38.273 38.487 0.417 0.000 1.023 588 N HN 0.249 nan 8.380 nan 0.000 0.424 589 A N 0.024 122.963 122.820 0.197 0.000 1.877 589 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 589 A C 2.407 180.138 177.584 0.246 0.000 1.186 589 A CA 2.441 54.567 52.037 0.149 0.000 0.620 589 A CB -1.300 17.643 19.000 -0.095 0.000 0.822 589 A HN 0.457 nan 8.150 nan 0.000 0.443 590 T N -1.579 113.090 114.554 0.190 0.000 2.867 590 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 590 T C 1.827 176.580 174.700 0.087 0.000 1.057 590 T CA 1.736 63.936 62.100 0.167 0.000 1.136 590 T CB -0.302 68.651 68.868 0.142 0.000 0.874 590 T HN 0.440 nan 8.240 nan 0.000 0.466 591 E N 0.835 121.038 120.200 0.006 0.000 2.106 591 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 591 E C 2.357 178.924 176.600 -0.055 0.000 0.984 591 E CA 1.198 57.455 56.400 -0.239 0.000 0.806 591 E CB -0.506 28.652 29.700 -0.903 0.000 0.750 591 E HN 0.664 nan 8.360 nan 0.000 0.458 592 A N 1.289 124.202 122.820 0.154 0.000 1.930 592 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 592 A C 2.407 180.063 177.584 0.119 0.000 1.175 592 A CA 0.762 52.926 52.037 0.212 0.000 0.627 592 A CB -0.669 18.474 19.000 0.239 0.000 0.815 592 A HN 0.315 nan 8.150 nan 0.000 0.443 593 L N 0.642 121.933 121.223 0.114 0.000 2.129 593 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 593 L C 2.998 179.894 176.870 0.043 0.000 1.087 593 L CA 1.759 56.629 54.840 0.051 0.000 0.757 593 L CB -0.400 41.696 42.059 0.062 0.000 0.896 593 L HN 0.691 nan 8.230 nan 0.000 0.434 594 S N -1.127 114.592 115.700 0.033 0.000 2.420 594 S HA -0.240 4.230 4.470 -0.000 0.000 0.237 594 S C 1.494 176.099 174.600 0.009 0.000 1.023 594 S CA 1.502 59.710 58.200 0.013 0.000 0.991 594 S CB -0.405 62.771 63.200 -0.040 0.000 0.792 594 S HN 0.435 nan 8.310 nan 0.000 0.488 595 D N 1.696 122.107 120.400 0.018 0.000 2.218 595 D HA 0.013 4.653 4.640 -0.000 0.000 0.204 595 D C 1.767 178.075 176.300 0.014 0.000 0.976 595 D CA 0.880 54.889 54.000 0.015 0.000 0.853 595 D CB -0.245 40.573 40.800 0.031 0.000 0.939 595 D HN 0.482 nan 8.370 nan 0.000 0.481 596 L N -0.230 121.009 121.223 0.027 0.000 2.395 596 L HA -0.057 4.283 4.340 -0.000 0.000 0.218 596 L C 1.585 178.483 176.870 0.047 0.000 1.130 596 L CA 0.174 55.043 54.840 0.048 0.000 0.826 596 L CB -0.009 42.087 42.059 0.062 0.000 0.941 596 L HN -0.018 nan 8.230 nan 0.000 0.451 597 L N -1.049 120.185 121.223 0.019 0.000 2.592 597 L HA 0.118 4.458 4.340 -0.000 0.000 0.227 597 L C 0.879 177.642 176.870 -0.178 0.000 1.127 597 L CA 0.738 55.555 54.840 -0.037 0.000 0.884 597 L CB -0.438 41.644 42.059 0.038 0.000 1.065 597 L HN 0.122 nan 8.230 nan 0.000 0.457 598 D N -1.519 118.807 120.400 -0.124 0.000 2.304 598 D HA -0.063 4.577 4.640 -0.000 0.000 0.247 598 D C 0.551 176.775 176.300 -0.127 0.000 1.089 598 D CA -0.377 53.545 54.000 -0.129 0.000 0.910 598 D CB 0.950 41.728 40.800 -0.037 0.000 1.199 598 D HN 0.117 nan 8.370 nan 0.000 0.426 599 W N 2.071 123.329 121.300 -0.069 0.000 2.421 599 W HA -0.070 4.590 4.660 -0.000 0.000 0.270 599 W C 2.352 178.826 176.519 -0.075 0.000 1.233 599 W CA -0.026 57.261 57.345 -0.097 0.000 1.226 599 W CB 0.233 29.611 29.460 -0.137 0.000 1.121 599 W HN 0.403 nan 8.180 nan 0.000 0.579 600 K N -0.050 120.445 120.400 0.158 0.000 2.360 600 K HA -0.178 4.142 4.320 -0.000 0.000 0.201 600 K C 1.996 178.642 176.600 0.076 0.000 1.046 600 K CA 1.071 57.410 56.287 0.087 0.000 0.945 600 K CB -0.028 32.498 32.500 0.044 0.000 0.750 600 K HN 0.167 nan 8.250 nan 0.000 0.464 601 R N -0.535 120.010 120.500 0.075 0.000 2.144 601 R HA 0.103 4.443 4.340 -0.000 0.000 0.195 601 R C 1.999 178.356 176.300 0.095 0.000 1.077 601 R CA 0.089 56.229 56.100 0.067 0.000 1.120 601 R CB 0.129 30.454 30.300 0.043 0.000 1.060 601 R HN -0.015 nan 8.270 nan 0.000 0.520 602 M N 0.693 120.327 119.600 0.056 0.000 2.195 602 M HA -0.048 4.432 4.480 -0.000 0.000 0.260 602 M C 2.083 178.567 176.300 0.307 0.000 1.066 602 M CA 1.726 57.055 55.300 0.049 0.000 1.089 602 M CB -1.066 31.344 32.600 -0.318 0.000 1.377 602 M HN 0.415 nan 8.290 nan 0.000 0.411 603 G N 0.110 109.158 108.800 0.413 0.000 2.535 603 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.218 603 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.218 603 G C 1.658 176.698 174.900 0.234 0.000 1.122 603 G CA 0.182 45.486 45.100 0.340 0.000 0.769 603 G HN 0.408 nan 8.290 nan 0.000 0.549 604 L N -0.031 121.306 121.223 0.190 0.000 2.217 604 L HA 0.025 4.365 4.340 -0.000 0.000 0.211 604 L C 2.670 179.638 176.870 0.164 0.000 1.107 604 L CA 0.536 55.463 54.840 0.145 0.000 0.783 604 L CB -0.167 41.954 42.059 0.103 0.000 0.919 604 L HN 0.124 nan 8.230 nan 0.000 0.442 605 E N -0.195 120.125 120.200 0.199 0.000 2.072 605 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 605 E C 2.061 178.760 176.600 0.165 0.000 0.985 605 E CA 1.306 57.800 56.400 0.157 0.000 0.801 605 E CB -0.341 29.441 29.700 0.136 0.000 0.750 605 E HN 0.499 nan 8.360 nan 0.000 0.452 606 Y N 0.600 120.972 120.300 0.119 0.000 2.315 606 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 606 Y C 2.384 178.359 175.900 0.125 0.000 1.154 606 Y CA 0.592 58.772 58.100 0.133 0.000 1.229 606 Y CB 0.031 38.559 38.460 0.113 0.000 0.980 606 Y HN -0.125 nan 8.280 nan 0.000 0.540 607 V N -0.113 119.950 119.914 0.248 0.000 2.323 607 V HA -0.261 3.859 4.120 -0.000 0.000 0.244 607 V C 1.999 178.175 176.094 0.137 0.000 1.041 607 V CA 1.760 64.172 62.300 0.187 0.000 1.025 607 V CB -0.361 31.548 31.823 0.144 0.000 0.656 607 V HN 0.326 nan 8.190 nan 0.000 0.451 608 K N 0.417 120.879 120.400 0.104 0.000 2.147 608 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 608 K C 2.239 178.854 176.600 0.025 0.000 1.049 608 K CA 1.415 57.741 56.287 0.065 0.000 0.936 608 K CB -0.352 32.178 32.500 0.050 0.000 0.722 608 K HN 0.476 nan 8.250 nan 0.000 0.446 609 A N 1.655 124.475 122.820 0.001 0.000 1.898 609 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 609 A C 2.014 179.565 177.584 -0.055 0.000 1.181 609 A CA 1.061 53.057 52.037 -0.068 0.000 0.620 609 A CB -0.278 18.628 19.000 -0.156 0.000 0.819 609 A HN 0.193 nan 8.150 nan 0.000 0.442 610 R N -0.633 119.878 120.500 0.017 0.000 2.115 610 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 610 R C 2.192 178.501 176.300 0.015 0.000 1.111 610 R CA 1.383 57.503 56.100 0.034 0.000 0.976 610 R CB -0.208 30.187 30.300 0.158 0.000 0.870 610 R HN 0.633 nan 8.270 nan 0.000 0.445 611 Q N 0.121 119.947 119.800 0.044 0.000 2.354 611 Q HA -0.019 4.320 4.340 -0.000 0.000 0.203 611 Q C 1.900 177.822 176.000 -0.131 0.000 0.933 611 Q CA 0.382 56.203 55.803 0.029 0.000 0.901 611 Q CB 0.172 28.999 28.738 0.148 0.000 1.007 611 Q HN 0.150 nan 8.270 nan 0.000 0.495 612 L N 0.363 121.528 121.223 -0.097 0.000 2.201 612 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 612 L C 1.934 178.707 176.870 -0.162 0.000 1.105 612 L CA 1.639 56.398 54.840 -0.135 0.000 0.775 612 L CB -0.338 41.672 42.059 -0.080 0.000 0.913 612 L HN 0.060 nan 8.230 nan 0.000 0.440 613 A N -1.254 121.487 122.820 -0.131 0.000 1.984 613 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 613 A C 2.125 179.628 177.584 -0.136 0.000 1.173 613 A CA 0.872 52.836 52.037 -0.122 0.000 0.673 613 A CB -0.496 18.449 19.000 -0.091 0.000 0.830 613 A HN 0.423 nan 8.150 nan 0.000 0.453 614 L N -0.919 120.228 121.223 -0.126 0.000 2.395 614 L HA -0.011 4.329 4.340 -0.000 0.000 0.218 614 L C 2.515 179.266 176.870 -0.198 0.000 1.130 614 L CA 1.070 55.889 54.840 -0.034 0.000 0.826 614 L CB -0.131 41.973 42.059 0.075 0.000 0.941 614 L HN 0.385 nan 8.230 nan 0.000 0.451 615 R N 0.124 120.284 120.500 -0.566 0.000 2.254 615 R HA 0.032 4.372 4.340 -0.000 0.000 0.195 615 R C 2.035 178.147 176.300 -0.314 0.000 0.957 615 R CA 0.899 56.511 56.100 -0.813 0.000 1.024 615 R CB -0.032 29.486 30.300 -1.304 0.000 0.952 615 R HN 0.120 nan 8.270 nan 0.000 0.484 616 R N -0.951 119.407 120.500 -0.237 0.000 2.140 616 R HA 0.211 4.551 4.340 -0.000 0.000 0.213 616 R C 1.966 178.157 176.300 -0.181 0.000 1.059 616 R CA 0.928 56.933 56.100 -0.158 0.000 1.000 616 R CB -0.052 30.172 30.300 -0.128 0.000 0.910 616 R HN 0.370 nan 8.270 nan 0.000 0.455 617 G N 0.187 108.830 108.800 -0.263 0.000 2.404 617 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 617 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 617 G C 0.243 174.759 174.900 -0.641 0.000 1.189 617 G CA 0.505 45.291 45.100 -0.524 0.000 0.789 617 G HN 0.267 nan 8.290 nan 0.000 0.533 618 Y N 0.322 120.629 120.300 0.011 0.000 2.562 618 Y HA 0.377 4.927 4.550 -0.000 0.000 0.363 618 Y C -1.802 174.147 175.900 0.080 0.000 0.991 618 Y CA -2.263 55.869 58.100 0.053 0.000 1.121 618 Y CB 1.546 40.056 38.460 0.084 0.000 1.159 618 Y HN 0.071 nan 8.280 nan 0.000 0.651 619 P HA -0.187 nan 4.420 nan 0.000 0.220 619 P C 1.107 178.522 177.300 0.191 0.000 1.144 619 P CA 1.595 64.772 63.100 0.127 0.000 0.800 619 P CB 0.550 32.286 31.700 0.061 0.000 0.772 620 D N -0.818 119.692 120.400 0.184 0.000 2.146 620 D HA -0.074 4.566 4.640 -0.000 0.000 0.209 620 D C 1.844 178.242 176.300 0.163 0.000 0.973 620 D CA 0.982 55.072 54.000 0.151 0.000 0.860 620 D CB -0.392 40.481 40.800 0.121 0.000 1.015 620 D HN 0.174 nan 8.370 nan 0.000 0.465 621 Q N -0.835 119.076 119.800 0.185 0.000 2.508 621 Q HA -0.118 4.222 4.340 -0.000 0.000 0.214 621 Q C 1.447 177.555 176.000 0.181 0.000 0.979 621 Q CA 0.484 56.372 55.803 0.142 0.000 0.911 621 Q CB -0.004 28.793 28.738 0.098 0.000 0.969 621 Q HN 0.304 nan 8.270 nan 0.000 0.504 622 F N 0.057 120.060 119.950 0.089 0.000 2.622 622 F HA 0.136 4.663 4.527 -0.000 0.000 0.288 622 F C 2.239 178.075 175.800 0.059 0.000 1.120 622 F CA 0.042 58.090 58.000 0.080 0.000 1.423 622 F CB 0.393 39.452 39.000 0.098 0.000 1.127 622 F HN -0.191 nan 8.300 nan 0.000 0.588 623 R N 0.249 120.864 120.500 0.192 0.000 2.153 623 R HA -0.066 4.274 4.340 -0.000 0.000 0.218 623 R C 1.559 177.873 176.300 0.024 0.000 1.072 623 R CA 1.261 57.421 56.100 0.099 0.000 0.990 623 R CB -0.023 30.341 30.300 0.106 0.000 0.889 623 R HN 0.199 nan 8.270 nan 0.000 0.452 624 E N 0.103 120.317 120.200 0.022 0.000 2.250 624 E HA -0.090 4.259 4.350 -0.000 0.000 0.192 624 E C 1.546 178.119 176.600 -0.045 0.000 0.986 624 E CA 0.466 56.865 56.400 -0.002 0.000 0.849 624 E CB 0.171 29.882 29.700 0.018 0.000 0.797 624 E HN 0.221 nan 8.360 nan 0.000 0.482 625 L N 0.093 121.258 121.223 -0.096 0.000 2.477 625 L HA 0.020 4.360 4.340 -0.000 0.000 0.220 625 L C 1.859 178.600 176.870 -0.216 0.000 1.106 625 L CA 0.614 55.367 54.840 -0.146 0.000 0.851 625 L CB 0.530 42.492 42.059 -0.162 0.000 0.994 625 L HN -0.130 nan 8.230 nan 0.000 0.462 626 V N -1.695 118.061 119.914 -0.264 0.000 3.523 626 V HA 0.421 4.541 4.120 -0.000 0.000 0.255 626 V C 1.678 177.709 176.094 -0.106 0.000 1.226 626 V CA 0.823 62.984 62.300 -0.231 0.000 1.092 626 V CB 0.333 31.964 31.823 -0.319 0.000 0.817 626 V HN 0.483 nan 8.190 nan 0.000 0.458 627 G N 1.029 109.785 108.800 -0.073 0.000 2.213 627 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.226 627 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.226 627 G C 0.130 175.025 174.900 -0.007 0.000 0.992 627 G CA 0.300 45.381 45.100 -0.032 0.000 0.632 627 G HN 0.658 nan 8.290 nan 0.000 0.511 628 E N -0.244 119.956 120.200 0.001 0.000 2.415 628 E HA 0.537 4.887 4.350 -0.000 0.000 0.271 628 E C -1.035 175.607 176.600 0.070 0.000 1.094 628 E CA -0.783 55.636 56.400 0.031 0.000 0.881 628 E CB 0.486 30.203 29.700 0.028 0.000 1.581 628 E HN 0.478 nan 8.360 nan 0.000 0.460 629 E N 1.217 121.467 120.200 0.083 0.000 2.171 629 E HA 0.598 4.948 4.350 -0.000 0.000 0.271 629 E C -0.890 175.773 176.600 0.105 0.000 0.916 629 E CA -0.832 55.640 56.400 0.121 0.000 0.774 629 E CB 1.753 31.514 29.700 0.101 0.000 1.128 629 E HN 0.358 nan 8.360 nan 0.000 0.403 630 L N 2.161 123.466 121.223 0.137 0.000 2.331 630 L HA 0.354 4.694 4.340 -0.000 0.000 0.268 630 L C 0.422 177.337 176.870 0.076 0.000 1.015 630 L CA -1.379 53.523 54.840 0.104 0.000 0.807 630 L CB 1.457 43.593 42.059 0.128 0.000 1.293 630 L HN 0.639 nan 8.230 nan 0.000 0.451 631 N N 0.744 119.477 118.700 0.055 0.000 2.357 631 N HA -0.086 4.654 4.740 -0.000 0.000 0.257 631 N C -0.624 174.901 175.510 0.025 0.000 1.250 631 N CA 0.578 53.650 53.050 0.037 0.000 0.862 631 N CB 0.570 39.076 38.487 0.032 0.000 1.066 631 N HN 0.480 nan 8.380 nan 0.000 0.468 632 D N 0.261 120.668 120.400 0.012 0.000 2.593 632 D HA 0.116 4.756 4.640 -0.000 0.000 0.241 632 D C 0.766 177.064 176.300 -0.004 0.000 1.257 632 D CA 0.061 54.056 54.000 -0.008 0.000 0.828 632 D CB 0.111 40.897 40.800 -0.023 0.000 1.049 632 D HN 0.525 nan 8.370 nan 0.000 0.490 633 S N -1.313 114.392 115.700 0.008 0.000 2.503 633 S HA 0.161 4.630 4.470 -0.000 0.000 0.217 633 S C 0.898 175.507 174.600 0.015 0.000 0.999 633 S CA -0.116 58.092 58.200 0.014 0.000 0.914 633 S CB 0.676 63.888 63.200 0.019 0.000 0.782 633 S HN -0.030 nan 8.310 nan 0.000 0.520 634 N N -0.315 118.391 118.700 0.010 0.000 2.571 634 N HA 0.506 5.245 4.740 -0.000 0.000 0.273 634 N C 0.283 175.791 175.510 -0.002 0.000 1.340 634 N CA -0.679 52.375 53.050 0.008 0.000 0.789 634 N CB 1.143 39.638 38.487 0.013 0.000 1.514 634 N HN -0.033 nan 8.380 nan 0.000 0.499 635 M N -0.170 119.425 119.600 -0.008 0.000 2.349 635 M HA -0.009 4.471 4.480 -0.000 0.000 0.266 635 M C -0.091 176.214 176.300 0.008 0.000 1.076 635 M CA 1.365 56.659 55.300 -0.009 0.000 1.126 635 M CB -0.196 32.391 32.600 -0.022 0.000 1.392 635 M HN 0.407 nan 8.290 nan 0.000 0.440 636 D N 0.842 121.248 120.400 0.010 0.000 2.271 636 D HA 0.053 4.693 4.640 -0.000 0.000 0.206 636 D C 1.954 178.266 176.300 0.021 0.000 0.967 636 D CA 0.820 54.830 54.000 0.017 0.000 0.867 636 D CB -0.014 40.794 40.800 0.013 0.000 0.960 636 D HN 0.251 nan 8.370 nan 0.000 0.509 637 A N 0.487 123.319 122.820 0.020 0.000 1.968 637 A HA -0.024 4.295 4.320 -0.000 0.000 0.217 637 A C 1.841 179.446 177.584 0.034 0.000 1.169 637 A CA 0.601 52.653 52.037 0.025 0.000 0.638 637 A CB -0.419 18.594 19.000 0.022 0.000 0.812 637 A HN 0.252 nan 8.150 nan 0.000 0.446 638 L N -1.612 119.633 121.223 0.036 0.000 2.599 638 L HA 0.449 4.789 4.340 -0.000 0.000 0.230 638 L C 0.701 177.616 176.870 0.074 0.000 1.141 638 L CA 0.793 55.668 54.840 0.058 0.000 0.877 638 L CB -0.570 41.514 42.059 0.041 0.000 1.009 638 L HN 0.422 nan 8.230 nan 0.000 0.447 639 A N 0.000 122.853 122.820 0.055 0.000 2.254 639 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 639 A CA 0.000 52.069 52.037 0.054 0.000 0.836 639 A CB 0.000 19.034 19.000 0.056 0.000 0.831 639 A HN 0.000 nan 8.150 nan 0.000 0.486