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 1hcy_1_F DATA FIRST_RESID 1 DATA SEQUENCE DALGTGNAQK QQDINHLLDK IYEPTKYPDL KDIAENFNPL GDTSIYNDHG DATA SEQUENCE AAVETLMKEL NDHRLLEQRH WYSLFNTRQR KEALMLFAVL NQcKEWYcFR DATA SEQUENCE SNAAYFRERM NEGEFVYALY VSVIHSKLGD GIVLPPLYQI TPHMFTNSEV DATA SEQUENCE IDKAYSAKMT QKPGTFNVSF TGTKKNREQR VAYFGEDIGM NIHHVTWHMD DATA SEQUENCE FPFWWEDSYG YHLDRKGELF FWVHHQLTAR FDFERLSNWL DPVDELHWDR DATA SEQUENCE IIREGFAPLT SYKYGGEFPV RPDNIHFEDV DGVAHVHDLE ITESRIHEAI DATA SEQUENCE DHGYITDSDG HTIDIRQPKG IELLGDIIES SKYSSNVQYY GSLHNTAHVM DATA SEQUENCE LGRQGDPHGK FNLPPGVMEH FETATRDPSF FRLHKYMDNI FKKHTDSFPP DATA SEQUENCE YTHDNLEFSG MVVNGVAIDG ELITFFDEFQ YSLINAVDSG ENIEDVEINA DATA SEQUENCE RVHRLNHNEF TYKITMSNNN DGERLATFRI FLcPIEDNNG ITLTLDEARW DATA SEQUENCE FcIELDKFFQ KVPSGPETIE RSSKDSSVTV PDMPSFQSLK EQADNAVNGG DATA SEQUENCE HDLDLSAYER ScGIPDRMLL PKSKPEGMEF NLYVAVTDGD KDTEGHXXXX DATA SEQUENCE XXXXXHAQcG VHGEAYPDNR PLGYPLERRI PDERVIDGVS NIKHVVVKIV DATA SEQUENCE HHL 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.375 176.300 0.125 0.000 2.045 1 D CA 0.000 54.144 54.000 0.240 0.000 0.868 1 D CB 0.000 41.004 40.800 0.340 0.000 0.688 2 A N 0.177 123.053 122.820 0.093 0.000 2.631 2 A HA 0.543 4.862 4.320 -0.000 0.000 0.294 2 A C 0.924 178.548 177.584 0.065 0.000 1.156 2 A CA 0.035 52.108 52.037 0.059 0.000 0.963 2 A CB -0.651 18.369 19.000 0.034 0.000 1.202 2 A HN 1.290 nan 8.150 nan 0.000 0.523 3 L N -2.171 119.110 121.223 0.096 0.000 3.533 3 L HA -0.124 4.216 4.340 -0.000 0.000 0.477 3 L C 0.235 177.169 176.870 0.105 0.000 1.306 3 L CA 1.184 56.081 54.840 0.094 0.000 0.850 3 L CB -1.088 40.992 42.059 0.036 0.000 1.654 3 L HN 1.452 nan 8.230 nan 0.000 0.863 4 G N -1.593 107.295 108.800 0.148 0.000 2.491 4 G HA2 0.262 4.222 3.960 -0.000 0.000 0.183 4 G HA3 0.262 4.222 3.960 -0.000 0.000 0.183 4 G C -0.175 174.763 174.900 0.062 0.000 1.221 4 G CA 0.042 45.218 45.100 0.127 0.000 0.996 4 G HN 0.395 nan 8.290 nan 0.000 0.474 5 T N -0.183 114.352 114.554 -0.031 0.000 3.141 5 T HA 0.538 4.888 4.350 -0.000 0.000 0.391 5 T C 1.296 175.915 174.700 -0.135 0.000 1.170 5 T CA 1.789 63.794 62.100 -0.158 0.000 1.054 5 T CB 0.016 68.826 68.868 -0.095 0.000 1.487 5 T HN 2.421 nan 8.240 nan 0.000 0.530 6 G N 0.594 109.329 108.800 -0.108 0.000 2.013 6 G HA2 0.092 4.052 3.960 -0.000 0.000 0.076 6 G HA3 0.092 4.052 3.960 -0.000 0.000 0.076 6 G C -0.059 174.760 174.900 -0.135 0.000 1.053 6 G CA 0.940 45.993 45.100 -0.077 0.000 1.230 6 G HN 1.109 nan 8.290 nan 0.000 0.431 7 N N -2.380 116.152 118.700 -0.280 0.000 2.494 7 N HA 0.181 4.921 4.740 -0.000 0.000 0.295 7 N C 1.481 176.835 175.510 -0.261 0.000 1.001 7 N CA 1.304 54.194 53.050 -0.266 0.000 1.691 7 N CB -0.748 37.639 38.487 -0.167 0.000 2.217 7 N HN 1.642 nan 8.380 nan 0.000 1.217 8 A N -0.147 122.480 122.820 -0.322 0.000 2.253 8 A HA 0.043 4.362 4.320 -0.000 0.000 0.203 8 A C 1.388 178.845 177.584 -0.211 0.000 1.272 8 A CA 0.943 52.834 52.037 -0.242 0.000 0.847 8 A CB -0.403 18.430 19.000 -0.278 0.000 0.772 8 A HN 0.435 nan 8.150 nan 0.000 0.494 9 Q N -1.010 118.661 119.800 -0.214 0.000 2.618 9 Q HA 0.093 4.433 4.340 -0.000 0.000 0.209 9 Q C 1.549 177.481 176.000 -0.113 0.000 0.797 9 Q CA 0.421 56.137 55.803 -0.145 0.000 0.888 9 Q CB -0.314 28.333 28.738 -0.152 0.000 1.244 9 Q HN 0.613 nan 8.270 nan 0.000 0.626 10 K N 1.292 121.474 120.400 -0.364 0.000 2.052 10 K HA -0.292 4.028 4.320 -0.000 0.000 0.215 10 K C 2.127 178.692 176.600 -0.058 0.000 1.053 10 K CA 2.239 58.183 56.287 -0.572 0.000 0.934 10 K CB -0.104 31.598 32.500 -1.330 0.000 0.717 10 K HN 0.057 nan 8.250 nan 0.000 0.450 11 Q N 1.261 120.970 119.800 -0.151 0.000 2.045 11 Q HA -0.297 4.043 4.340 -0.000 0.000 0.206 11 Q C 2.122 178.073 176.000 -0.082 0.000 0.991 11 Q CA 2.463 58.211 55.803 -0.092 0.000 0.851 11 Q CB -0.281 28.391 28.738 -0.110 0.000 0.911 11 Q HN 0.363 nan 8.270 nan 0.000 0.418 12 Q N 0.128 119.849 119.800 -0.132 0.000 2.045 12 Q HA -0.261 4.079 4.340 -0.000 0.000 0.206 12 Q C 1.640 177.431 176.000 -0.349 0.000 0.991 12 Q CA 2.287 57.932 55.803 -0.263 0.000 0.851 12 Q CB -0.465 28.124 28.738 -0.249 0.000 0.911 12 Q HN 0.523 nan 8.270 nan 0.000 0.418 13 D N -0.078 120.252 120.400 -0.117 0.000 2.154 13 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 13 D C 1.943 178.248 176.300 0.009 0.000 1.003 13 D CA 1.837 55.838 54.000 0.002 0.000 0.849 13 D CB -0.205 40.767 40.800 0.287 0.000 0.942 13 D HN 0.314 nan 8.370 nan 0.000 0.446 14 I N 2.223 122.844 120.570 0.086 0.000 2.099 14 I HA -0.285 3.884 4.170 -0.000 0.000 0.239 14 I C 2.085 178.259 176.117 0.095 0.000 1.066 14 I CA 1.210 62.567 61.300 0.096 0.000 1.324 14 I CB -0.517 37.536 38.000 0.087 0.000 1.037 14 I HN 0.071 nan 8.210 nan 0.000 0.401 15 N N -0.566 118.179 118.700 0.074 0.000 2.192 15 N HA -0.244 4.496 4.740 -0.000 0.000 0.188 15 N C 1.840 177.503 175.510 0.254 0.000 1.013 15 N CA 1.669 54.872 53.050 0.255 0.000 0.863 15 N CB -0.740 37.830 38.487 0.138 0.000 0.990 15 N HN 0.627 nan 8.380 nan 0.000 0.430 16 H N 0.846 119.841 119.070 -0.125 0.000 2.357 16 H HA 0.053 4.609 4.556 -0.000 0.000 0.301 16 H C 2.334 177.517 175.328 -0.242 0.000 1.082 16 H CA 0.494 56.231 56.048 -0.519 0.000 1.342 16 H CB 0.144 29.464 29.762 -0.737 0.000 1.389 16 H HN 0.090 nan 8.280 nan 0.000 0.511 17 L N 0.473 121.756 121.223 0.101 0.000 1.994 17 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 17 L C 1.271 178.280 176.870 0.232 0.000 1.071 17 L CA 1.095 56.037 54.840 0.169 0.000 0.745 17 L CB -0.173 42.016 42.059 0.217 0.000 0.892 17 L HN 0.242 nan 8.230 nan 0.000 0.431 18 L N -0.991 120.364 121.223 0.220 0.000 2.805 18 L HA 0.197 4.537 4.340 -0.000 0.000 0.237 18 L C 0.170 177.163 176.870 0.204 0.000 1.252 18 L CA -0.403 54.543 54.840 0.177 0.000 1.064 18 L CB -0.705 41.397 42.059 0.071 0.000 1.361 18 L HN 0.071 nan 8.230 nan 0.000 0.474 19 D N 0.765 121.348 120.400 0.305 0.000 2.398 19 D HA 0.087 4.727 4.640 -0.000 0.000 0.264 19 D C 0.285 176.755 176.300 0.283 0.000 1.263 19 D CA -0.513 53.738 54.000 0.418 0.000 1.037 19 D CB 0.672 41.743 40.800 0.451 0.000 1.101 19 D HN -0.032 nan 8.370 nan 0.000 0.551 20 K N 0.763 121.328 120.400 0.275 0.000 2.320 20 K HA -0.186 4.134 4.320 -0.000 0.000 0.239 20 K C 0.605 177.290 176.600 0.142 0.000 1.260 20 K CA 0.163 56.579 56.287 0.215 0.000 1.242 20 K CB -0.379 32.240 32.500 0.198 0.000 0.718 20 K HN 0.343 nan 8.250 nan 0.000 0.537 21 I N 2.098 122.691 120.570 0.038 0.000 3.783 21 I HA -0.071 4.099 4.170 -0.000 0.000 0.310 21 I C 0.506 176.476 176.117 -0.245 0.000 1.274 21 I CA 0.461 61.682 61.300 -0.131 0.000 1.294 21 I CB 0.301 38.170 38.000 -0.218 0.000 1.051 21 I HN 0.428 nan 8.210 nan 0.000 0.435 22 Y N 1.770 122.183 120.300 0.187 0.000 2.495 22 Y HA 0.383 4.933 4.550 -0.000 0.000 0.293 22 Y C -0.061 175.957 175.900 0.197 0.000 1.186 22 Y CA -0.371 57.876 58.100 0.246 0.000 1.266 22 Y CB -0.237 38.378 38.460 0.258 0.000 1.101 22 Y HN 0.204 nan 8.280 nan 0.000 0.517 23 E N -0.032 120.284 120.200 0.192 0.000 2.335 23 E HA 0.251 4.600 4.350 -0.000 0.000 0.280 23 E C -2.871 173.770 176.600 0.069 0.000 0.918 23 E CA -2.519 53.962 56.400 0.135 0.000 0.765 23 E CB 1.713 31.491 29.700 0.129 0.000 1.218 23 E HN -0.185 nan 8.360 nan 0.000 0.425 24 P HA -0.146 nan 4.420 nan 0.000 0.264 24 P C -0.030 177.284 177.300 0.023 0.000 1.156 24 P CA 0.548 63.649 63.100 0.001 0.000 0.756 24 P CB 0.042 31.741 31.700 -0.001 0.000 0.764 25 T N 0.265 114.831 114.554 0.020 0.000 2.918 25 T HA 0.171 4.521 4.350 -0.000 0.000 0.302 25 T C 0.991 175.734 174.700 0.071 0.000 1.045 25 T CA -0.542 61.608 62.100 0.083 0.000 1.114 25 T CB 1.065 70.025 68.868 0.153 0.000 0.965 25 T HN 0.272 nan 8.240 nan 0.000 0.540 26 K N 0.152 120.609 120.400 0.095 0.000 2.404 26 K HA 0.139 4.459 4.320 -0.000 0.000 0.194 26 K C -0.596 175.940 176.600 -0.106 0.000 1.023 26 K CA 0.111 56.370 56.287 -0.047 0.000 1.094 26 K CB 0.150 32.578 32.500 -0.119 0.000 0.841 26 K HN 0.594 nan 8.250 nan 0.000 0.523 27 Y N 1.604 121.857 120.300 -0.079 0.000 2.518 27 Y HA 0.118 4.668 4.550 -0.000 0.000 0.344 27 Y C -1.563 174.315 175.900 -0.037 0.000 0.982 27 Y CA -2.584 55.454 58.100 -0.103 0.000 1.234 27 Y CB 0.785 39.128 38.460 -0.195 0.000 1.114 27 Y HN 0.009 nan 8.280 nan 0.000 0.515 28 P HA -0.306 nan 4.420 nan 0.000 0.220 28 P C 0.788 178.134 177.300 0.077 0.000 1.155 28 P CA 2.180 65.316 63.100 0.060 0.000 0.880 28 P CB 0.377 32.101 31.700 0.040 0.000 0.790 29 D N 0.399 120.861 120.400 0.104 0.000 2.097 29 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 29 D C 2.321 178.673 176.300 0.086 0.000 0.989 29 D CA 0.932 54.992 54.000 0.100 0.000 0.827 29 D CB -1.168 39.705 40.800 0.123 0.000 0.966 29 D HN 0.225 nan 8.370 nan 0.000 0.456 30 L N 0.963 122.242 121.223 0.094 0.000 2.043 30 L HA -0.226 4.113 4.340 -0.000 0.000 0.212 30 L C 2.699 179.589 176.870 0.034 0.000 1.075 30 L CA 1.903 56.776 54.840 0.054 0.000 0.752 30 L CB -0.517 41.583 42.059 0.068 0.000 0.891 30 L HN 0.133 nan 8.230 nan 0.000 0.432 31 K N -0.117 120.310 120.400 0.045 0.000 2.076 31 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 31 K C 1.565 178.186 176.600 0.035 0.000 1.051 31 K CA 1.415 57.716 56.287 0.023 0.000 0.949 31 K CB -0.511 31.997 32.500 0.013 0.000 0.726 31 K HN 0.457 nan 8.250 nan 0.000 0.443 32 D N 1.945 122.376 120.400 0.052 0.000 2.310 32 D HA -0.142 4.498 4.640 -0.000 0.000 0.212 32 D C 1.883 178.238 176.300 0.091 0.000 0.965 32 D CA 0.694 54.733 54.000 0.064 0.000 0.879 32 D CB -0.196 40.641 40.800 0.062 0.000 0.921 32 D HN 0.303 nan 8.370 nan 0.000 0.510 33 I N 1.585 122.205 120.570 0.083 0.000 2.202 33 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 33 I C 2.898 179.094 176.117 0.132 0.000 1.091 33 I CA 1.121 62.488 61.300 0.111 0.000 1.368 33 I CB -0.408 37.610 38.000 0.031 0.000 1.058 33 I HN -0.007 nan 8.210 nan 0.000 0.410 34 A N 0.238 123.086 122.820 0.045 0.000 1.997 34 A HA -0.256 4.064 4.320 -0.000 0.000 0.221 34 A C 2.202 179.801 177.584 0.026 0.000 1.172 34 A CA 2.034 54.062 52.037 -0.015 0.000 0.645 34 A CB -0.472 18.486 19.000 -0.070 0.000 0.813 34 A HN 0.529 nan 8.150 nan 0.000 0.454 35 E N -1.350 118.893 120.200 0.071 0.000 2.152 35 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 35 E C 1.564 178.243 176.600 0.132 0.000 0.934 35 E CA 0.328 56.772 56.400 0.072 0.000 0.869 35 E CB -0.124 29.603 29.700 0.046 0.000 0.842 35 E HN 0.512 nan 8.360 nan 0.000 0.472 36 N N 0.654 119.437 118.700 0.140 0.000 2.270 36 N HA -0.077 4.662 4.740 -0.000 0.000 0.181 36 N C 0.584 176.193 175.510 0.166 0.000 1.016 36 N CA 0.441 53.572 53.050 0.135 0.000 0.870 36 N CB -0.205 38.349 38.487 0.112 0.000 0.979 36 N HN -0.003 nan 8.380 nan 0.000 0.431 37 F N 1.876 121.862 119.950 0.060 0.000 2.496 37 F HA 0.126 4.653 4.527 -0.000 0.000 0.344 37 F C 0.681 176.410 175.800 -0.118 0.000 1.155 37 F CA 0.008 58.001 58.000 -0.011 0.000 1.302 37 F CB 0.484 39.472 39.000 -0.021 0.000 1.159 37 F HN -0.093 nan 8.300 nan 0.000 0.595 38 N N 5.831 124.181 118.700 -0.584 0.000 2.581 38 N HA 0.249 4.989 4.740 -0.000 0.000 0.279 38 N C -2.538 172.640 175.510 -0.553 0.000 1.124 38 N CA -1.522 51.265 53.050 -0.437 0.000 0.833 38 N CB 2.047 40.381 38.487 -0.255 0.000 1.338 38 N HN 0.181 nan 8.380 nan 0.000 0.533 39 P HA 0.005 nan 4.420 nan 0.000 0.236 39 P C 0.694 178.067 177.300 0.121 0.000 1.172 39 P CA 0.367 63.526 63.100 0.097 0.000 0.759 39 P CB 0.326 32.093 31.700 0.112 0.000 0.843 40 L N -1.170 120.027 121.223 -0.045 0.000 2.965 40 L HA 0.468 4.808 4.340 -0.000 0.000 0.254 40 L C 1.328 178.184 176.870 -0.024 0.000 1.220 40 L CA 0.057 54.901 54.840 0.007 0.000 1.023 40 L CB -0.475 41.573 42.059 -0.018 0.000 1.355 40 L HN -0.109 nan 8.230 nan 0.000 0.545 41 G N -0.975 107.774 108.800 -0.086 0.000 3.899 41 G HA2 0.262 4.222 3.960 -0.000 0.000 0.293 41 G HA3 0.262 4.222 3.960 -0.000 0.000 0.293 41 G C -0.328 174.545 174.900 -0.045 0.000 1.054 41 G CA 0.112 45.166 45.100 -0.076 0.000 0.846 41 G HN 0.216 nan 8.290 nan 0.000 0.525 42 D N -0.207 120.193 120.400 -0.001 0.000 3.496 42 D HA -0.031 4.608 4.640 -0.000 0.000 0.225 42 D C -0.273 176.057 176.300 0.050 0.000 1.490 42 D CA -0.389 53.620 54.000 0.015 0.000 1.147 42 D CB -0.612 40.182 40.800 -0.010 0.000 1.335 42 D HN -0.140 nan 8.370 nan 0.000 0.720 43 T N 1.048 115.682 114.554 0.133 0.000 2.933 43 T HA 0.364 4.714 4.350 -0.000 0.000 0.263 43 T C 0.998 175.833 174.700 0.226 0.000 0.925 43 T CA 1.167 63.432 62.100 0.276 0.000 1.156 43 T CB 0.278 69.282 68.868 0.227 0.000 0.916 43 T HN 0.385 nan 8.240 nan 0.000 0.601 44 S N 2.586 118.359 115.700 0.121 0.000 1.913 44 S HA -0.016 4.454 4.470 -0.000 0.000 0.231 44 S C 1.560 176.175 174.600 0.026 0.000 0.854 44 S CA 0.064 58.337 58.200 0.121 0.000 1.513 44 S CB -0.562 62.697 63.200 0.099 0.000 1.020 44 S HN 0.593 nan 8.310 nan 0.000 0.455 45 I N -0.217 120.288 120.570 -0.107 0.000 2.546 45 I HA 0.235 4.405 4.170 -0.000 0.000 0.255 45 I C 0.086 176.094 176.117 -0.182 0.000 1.163 45 I CA 0.458 61.649 61.300 -0.182 0.000 1.457 45 I CB -0.695 37.114 38.000 -0.317 0.000 1.092 45 I HN 0.158 nan 8.210 nan 0.000 0.434 46 Y N 3.267 123.584 120.300 0.028 0.000 2.393 46 Y HA 0.221 4.771 4.550 -0.000 0.000 0.338 46 Y C 1.301 177.126 175.900 -0.124 0.000 1.029 46 Y CA -0.869 57.212 58.100 -0.032 0.000 1.239 46 Y CB -0.135 38.308 38.460 -0.029 0.000 1.170 46 Y HN 0.081 nan 8.280 nan 0.000 0.515 47 N N 2.112 120.839 118.700 0.044 0.000 2.515 47 N HA -0.091 4.648 4.740 -0.000 0.000 0.191 47 N C 0.002 175.393 175.510 -0.198 0.000 1.182 47 N CA 0.568 53.564 53.050 -0.090 0.000 0.879 47 N CB 0.228 38.709 38.487 -0.010 0.000 0.984 47 N HN 0.705 nan 8.380 nan 0.000 0.453 48 D N -1.694 118.622 120.400 -0.140 0.000 2.398 48 D HA 0.016 4.656 4.640 -0.000 0.000 0.210 48 D C -0.111 176.092 176.300 -0.162 0.000 1.094 48 D CA -0.144 53.773 54.000 -0.140 0.000 0.839 48 D CB -0.334 40.420 40.800 -0.077 0.000 0.963 48 D HN 0.204 nan 8.370 nan 0.000 0.506 49 H N -0.761 118.383 119.070 0.123 0.000 3.022 49 H HA -0.054 4.502 4.556 -0.000 0.000 0.258 49 H C 1.142 176.515 175.328 0.074 0.000 1.212 49 H CA 0.332 56.442 56.048 0.103 0.000 1.126 49 H CB -1.708 28.090 29.762 0.060 0.000 1.267 49 H HN 0.396 nan 8.280 nan 0.000 0.345 50 G N -0.245 108.590 108.800 0.059 0.000 2.356 50 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.296 50 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.296 50 G C 1.131 175.926 174.900 -0.174 0.000 1.022 50 G CA 0.801 45.799 45.100 -0.170 0.000 0.961 50 G HN 1.085 nan 8.290 nan 0.000 0.510 51 A N -0.703 122.052 122.820 -0.110 0.000 1.968 51 A HA 0.442 4.762 4.320 -0.000 0.000 0.217 51 A C 2.711 180.218 177.584 -0.128 0.000 1.169 51 A CA 2.041 54.031 52.037 -0.080 0.000 0.638 51 A CB -0.461 18.513 19.000 -0.045 0.000 0.812 51 A HN 1.756 nan 8.150 nan 0.000 0.446 52 A N -0.067 122.637 122.820 -0.193 0.000 1.840 52 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 52 A C 2.197 179.630 177.584 -0.252 0.000 1.198 52 A CA 1.780 53.694 52.037 -0.206 0.000 0.608 52 A CB -1.182 17.686 19.000 -0.221 0.000 0.839 52 A HN 0.620 nan 8.150 nan 0.000 0.443 53 V N -0.047 119.624 119.914 -0.406 0.000 2.282 53 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 53 V C 2.147 178.163 176.094 -0.130 0.000 1.057 53 V CA 2.312 64.432 62.300 -0.300 0.000 1.032 53 V CB -1.320 30.214 31.823 -0.483 0.000 0.645 53 V HN 0.625 nan 8.190 nan 0.000 0.447 54 E N -0.126 119.988 120.200 -0.142 0.000 2.455 54 E HA -0.150 4.200 4.350 -0.000 0.000 0.202 54 E C 1.994 178.566 176.600 -0.047 0.000 1.045 54 E CA 1.351 57.715 56.400 -0.060 0.000 0.872 54 E CB -0.097 29.578 29.700 -0.043 0.000 0.792 54 E HN 0.665 nan 8.360 nan 0.000 0.542 55 T N 0.016 114.527 114.554 -0.073 0.000 3.037 55 T HA 0.013 4.363 4.350 -0.000 0.000 0.251 55 T C 1.313 175.982 174.700 -0.052 0.000 1.079 55 T CA -0.117 61.950 62.100 -0.055 0.000 1.067 55 T CB 0.213 69.047 68.868 -0.056 0.000 0.948 55 T HN 0.040 nan 8.240 nan 0.000 0.496 56 L N 1.350 122.527 121.223 -0.076 0.000 2.102 56 L HA 0.231 4.571 4.340 -0.000 0.000 0.202 56 L C 2.047 178.936 176.870 0.032 0.000 1.076 56 L CA 1.590 56.372 54.840 -0.096 0.000 0.761 56 L CB -0.771 41.126 42.059 -0.271 0.000 0.921 56 L HN 0.115 nan 8.230 nan 0.000 0.444 57 M N -0.312 119.347 119.600 0.098 0.000 2.106 57 M HA -0.260 4.219 4.480 -0.000 0.000 0.259 57 M C 2.191 178.540 176.300 0.081 0.000 1.068 57 M CA 1.495 56.887 55.300 0.153 0.000 1.100 57 M CB -1.253 31.428 32.600 0.134 0.000 1.351 57 M HN 0.282 nan 8.290 nan 0.000 0.404 58 K N 0.414 120.835 120.400 0.036 0.000 2.089 58 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 58 K C 1.735 178.348 176.600 0.022 0.000 1.048 58 K CA 1.464 57.763 56.287 0.019 0.000 0.926 58 K CB 0.072 32.575 32.500 0.004 0.000 0.714 58 K HN 0.349 nan 8.250 nan 0.000 0.448 59 E N 0.491 120.705 120.200 0.024 0.000 2.086 59 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 59 E C 2.031 178.665 176.600 0.056 0.000 0.975 59 E CA 0.437 56.854 56.400 0.027 0.000 0.813 59 E CB -0.290 29.415 29.700 0.007 0.000 0.768 59 E HN 0.252 nan 8.360 nan 0.000 0.457 60 L N 1.682 122.956 121.223 0.085 0.000 2.265 60 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 60 L C 1.685 178.601 176.870 0.075 0.000 1.117 60 L CA 1.267 56.181 54.840 0.124 0.000 0.782 60 L CB -0.181 42.020 42.059 0.236 0.000 0.914 60 L HN -0.026 nan 8.230 nan 0.000 0.441 61 N N 0.227 118.947 118.700 0.034 0.000 2.083 61 N HA -0.148 4.591 4.740 -0.000 0.000 0.190 61 N C 1.137 176.571 175.510 -0.127 0.000 1.047 61 N CA 1.728 54.750 53.050 -0.045 0.000 0.845 61 N CB -0.297 38.187 38.487 -0.006 0.000 1.025 61 N HN 0.391 nan 8.380 nan 0.000 0.428 62 D N 0.507 120.885 120.400 -0.036 0.000 2.392 62 D HA -0.078 4.562 4.640 -0.000 0.000 0.228 62 D C -0.247 176.163 176.300 0.182 0.000 1.003 62 D CA 0.272 54.279 54.000 0.012 0.000 0.917 62 D CB -0.939 39.885 40.800 0.038 0.000 0.890 62 D HN 0.565 nan 8.370 nan 0.000 0.532 63 H N -0.554 118.520 119.070 0.007 0.000 2.400 63 H HA -0.239 4.317 4.556 -0.000 0.000 0.310 63 H C 0.011 175.329 175.328 -0.016 0.000 0.923 63 H CA 0.359 56.406 56.048 -0.002 0.000 1.024 63 H CB -1.657 28.101 29.762 -0.006 0.000 1.611 63 H HN 0.398 nan 8.280 nan 0.000 0.332 64 R N 0.759 121.333 120.500 0.124 0.000 2.566 64 R HA 0.374 4.713 4.340 -0.000 0.000 0.388 64 R C -0.494 175.808 176.300 0.005 0.000 0.989 64 R CA -0.781 55.342 56.100 0.039 0.000 1.164 64 R CB 0.546 30.866 30.300 0.035 0.000 1.459 64 R HN 0.188 nan 8.270 nan 0.000 0.553 65 L N 1.583 122.812 121.223 0.011 0.000 2.379 65 L HA 0.363 4.703 4.340 -0.000 0.000 0.269 65 L C 0.155 176.993 176.870 -0.053 0.000 1.084 65 L CA -1.229 53.602 54.840 -0.015 0.000 0.802 65 L CB 1.320 43.389 42.059 0.017 0.000 1.175 65 L HN 0.181 nan 8.230 nan 0.000 0.448 66 L N 2.459 123.631 121.223 -0.084 0.000 2.506 66 L HA 0.049 4.389 4.340 -0.000 0.000 0.281 66 L C 0.335 177.122 176.870 -0.139 0.000 1.228 66 L CA -0.138 54.608 54.840 -0.158 0.000 0.850 66 L CB 0.445 42.406 42.059 -0.164 0.000 1.110 66 L HN 0.715 nan 8.230 nan 0.000 0.496 67 E N 3.389 123.471 120.200 -0.196 0.000 2.391 67 E HA 0.118 4.468 4.350 -0.000 0.000 0.255 67 E C -0.643 175.922 176.600 -0.058 0.000 1.187 67 E CA -0.577 55.751 56.400 -0.121 0.000 0.941 67 E CB 0.479 30.107 29.700 -0.120 0.000 1.010 67 E HN 0.550 nan 8.360 nan 0.000 0.458 68 Q N 0.297 120.073 119.800 -0.040 0.000 2.318 68 Q HA 0.200 4.539 4.340 -0.000 0.000 0.222 68 Q C -0.602 175.389 176.000 -0.015 0.000 1.003 68 Q CA -0.495 55.304 55.803 -0.007 0.000 0.936 68 Q CB 0.632 29.355 28.738 -0.025 0.000 1.204 68 Q HN 0.352 nan 8.270 nan 0.000 0.524 69 R N 1.356 121.863 120.500 0.013 0.000 3.127 69 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 69 R C -0.651 175.633 176.300 -0.027 0.000 0.896 69 R CA 0.729 56.713 56.100 -0.193 0.000 0.624 69 R CB -1.485 28.447 30.300 -0.614 0.000 1.154 69 R HN 0.548 nan 8.270 nan 0.000 0.474 70 H N -0.231 118.898 119.070 0.098 0.000 2.981 70 H HA 0.308 4.864 4.556 -0.000 0.000 0.327 70 H C -0.546 174.831 175.328 0.082 0.000 1.342 70 H CA -0.515 55.531 56.048 -0.004 0.000 1.123 70 H CB 1.036 30.687 29.762 -0.185 0.000 1.851 70 H HN 0.249 nan 8.280 nan 0.000 0.531 71 W N 2.045 123.157 121.300 -0.315 0.000 2.181 71 W HA 0.520 5.180 4.660 -0.000 0.000 0.415 71 W C -1.600 175.217 176.519 0.498 0.000 1.689 71 W CA -0.948 56.509 57.345 0.187 0.000 1.859 71 W CB 0.174 29.572 29.460 -0.105 0.000 1.425 71 W HN 0.525 nan 8.180 nan 0.000 0.713 72 Y N 1.566 122.410 120.300 0.908 0.000 2.399 72 Y HA 0.386 4.936 4.550 -0.000 0.000 0.327 72 Y C -1.136 175.242 175.900 0.796 0.000 1.111 72 Y CA -0.981 57.529 58.100 0.683 0.000 1.047 72 Y CB 1.270 39.929 38.460 0.331 0.000 1.259 72 Y HN 0.594 nan 8.280 nan 0.000 0.434 73 S N 5.313 121.072 115.700 0.098 0.000 2.621 73 S HA 0.464 4.934 4.470 -0.000 0.000 0.302 73 S C -0.234 173.973 174.600 -0.655 0.000 1.093 73 S CA -0.719 57.415 58.200 -0.109 0.000 1.017 73 S CB 1.840 64.963 63.200 -0.129 0.000 1.077 73 S HN 1.045 nan 8.310 nan 0.000 0.517 74 L N 0.611 121.497 121.223 -0.561 0.000 2.591 74 L HA 0.486 4.825 4.340 -0.000 0.000 0.228 74 L C 0.589 177.157 176.870 -0.503 0.000 1.133 74 L CA 0.954 55.435 54.840 -0.598 0.000 0.880 74 L CB -0.698 40.986 42.059 -0.625 0.000 1.033 74 L HN 0.759 nan 8.230 nan 0.000 0.450 75 F N -1.034 118.791 119.950 -0.209 0.000 2.743 75 F HA 0.213 4.740 4.527 -0.000 0.000 0.297 75 F C 1.000 176.766 175.800 -0.057 0.000 1.131 75 F CA -0.397 57.539 58.000 -0.107 0.000 1.426 75 F CB -0.540 38.378 39.000 -0.136 0.000 1.116 75 F HN 0.088 nan 8.300 nan 0.000 0.583 76 N N 0.625 119.343 118.700 0.031 0.000 2.406 76 N HA -0.016 4.724 4.740 -0.000 0.000 0.265 76 N C 1.148 176.681 175.510 0.037 0.000 1.203 76 N CA 0.290 53.376 53.050 0.061 0.000 0.945 76 N CB 0.539 39.061 38.487 0.058 0.000 1.165 76 N HN 0.098 nan 8.380 nan 0.000 0.485 77 T N 0.944 115.532 114.554 0.057 0.000 2.918 77 T HA -0.211 4.139 4.350 -0.000 0.000 0.271 77 T C 1.657 176.372 174.700 0.025 0.000 1.104 77 T CA 1.046 63.174 62.100 0.046 0.000 1.114 77 T CB 0.024 68.927 68.868 0.058 0.000 0.855 77 T HN 0.498 nan 8.240 nan 0.000 0.518 78 R N 0.651 121.162 120.500 0.019 0.000 2.105 78 R HA 0.108 4.448 4.340 -0.000 0.000 0.214 78 R C 2.603 178.908 176.300 0.008 0.000 1.091 78 R CA 0.403 56.506 56.100 0.004 0.000 1.007 78 R CB -0.100 30.196 30.300 -0.007 0.000 0.912 78 R HN 0.394 nan 8.270 nan 0.000 0.450 79 Q N 0.165 119.980 119.800 0.025 0.000 2.197 79 Q HA -0.240 4.100 4.340 -0.000 0.000 0.207 79 Q C 2.128 178.201 176.000 0.121 0.000 0.984 79 Q CA 1.794 57.660 55.803 0.105 0.000 0.869 79 Q CB -0.112 28.704 28.738 0.129 0.000 0.906 79 Q HN 0.256 nan 8.270 nan 0.000 0.426 80 R N 1.037 121.544 120.500 0.011 0.000 2.062 80 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 80 R C 1.973 178.215 176.300 -0.097 0.000 1.136 80 R CA 1.462 57.517 56.100 -0.074 0.000 0.948 80 R CB 0.058 30.297 30.300 -0.101 0.000 0.845 80 R HN 0.037 nan 8.270 nan 0.000 0.430 81 K N 0.388 120.754 120.400 -0.057 0.000 2.074 81 K HA -0.208 4.111 4.320 -0.000 0.000 0.209 81 K C 2.044 178.601 176.600 -0.072 0.000 1.048 81 K CA 2.329 58.577 56.287 -0.066 0.000 0.926 81 K CB -0.056 32.426 32.500 -0.029 0.000 0.713 81 K HN 0.355 nan 8.250 nan 0.000 0.444 82 E N 0.048 120.222 120.200 -0.043 0.000 2.047 82 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 82 E C 2.043 178.602 176.600 -0.069 0.000 0.987 82 E CA 1.079 57.447 56.400 -0.052 0.000 0.799 82 E CB -0.126 29.555 29.700 -0.033 0.000 0.752 82 E HN 0.350 nan 8.360 nan 0.000 0.449 83 A N 0.955 123.750 122.820 -0.040 0.000 1.933 83 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 83 A C 2.062 179.599 177.584 -0.079 0.000 1.175 83 A CA 1.015 53.027 52.037 -0.041 0.000 0.628 83 A CB -0.382 18.628 19.000 0.017 0.000 0.814 83 A HN 0.183 nan 8.150 nan 0.000 0.444 84 L N 0.046 121.167 121.223 -0.169 0.000 2.610 84 L HA 0.051 4.390 4.340 -0.000 0.000 0.232 84 L C 2.285 179.076 176.870 -0.132 0.000 1.149 84 L CA 0.927 55.608 54.840 -0.266 0.000 0.872 84 L CB -0.423 41.309 42.059 -0.544 0.000 0.992 84 L HN 0.552 nan 8.230 nan 0.000 0.447 85 M N -3.240 116.285 119.600 -0.126 0.000 2.334 85 M HA -0.091 4.389 4.480 -0.000 0.000 0.266 85 M C 2.111 178.297 176.300 -0.190 0.000 1.082 85 M CA 1.367 56.583 55.300 -0.140 0.000 1.141 85 M CB -0.589 31.927 32.600 -0.140 0.000 1.380 85 M HN 0.140 nan 8.290 nan 0.000 0.440 86 L N 0.596 121.706 121.223 -0.187 0.000 2.083 86 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 86 L C 2.665 179.431 176.870 -0.173 0.000 1.083 86 L CA 1.603 56.308 54.840 -0.225 0.000 0.752 86 L CB -0.370 41.586 42.059 -0.171 0.000 0.899 86 L HN 0.288 nan 8.230 nan 0.000 0.433 87 F N 1.001 120.797 119.950 -0.256 0.000 2.095 87 F HA -0.229 4.297 4.527 -0.000 0.000 0.298 87 F C 2.292 177.950 175.800 -0.237 0.000 1.104 87 F CA 1.571 59.419 58.000 -0.253 0.000 1.232 87 F CB -0.530 38.294 39.000 -0.293 0.000 0.987 87 F HN 0.040 nan 8.300 nan 0.000 0.475 88 A N -0.400 122.174 122.820 -0.410 0.000 2.225 88 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 88 A C 2.111 179.495 177.584 -0.334 0.000 1.164 88 A CA 1.480 53.251 52.037 -0.445 0.000 0.710 88 A CB -1.119 17.770 19.000 -0.184 0.000 0.780 88 A HN 0.364 nan 8.150 nan 0.000 0.473 89 V N -1.089 118.648 119.914 -0.296 0.000 2.423 89 V HA -0.070 4.050 4.120 -0.000 0.000 0.233 89 V C 2.172 178.158 176.094 -0.180 0.000 1.067 89 V CA 1.133 63.303 62.300 -0.216 0.000 1.073 89 V CB -0.663 31.034 31.823 -0.211 0.000 0.715 89 V HN 0.453 nan 8.190 nan 0.000 0.485 90 L N 1.238 122.293 121.223 -0.280 0.000 2.198 90 L HA -0.311 4.028 4.340 -0.000 0.000 0.218 90 L C 2.065 178.751 176.870 -0.306 0.000 1.084 90 L CA 2.562 57.099 54.840 -0.504 0.000 0.779 90 L CB -1.246 40.414 42.059 -0.665 0.000 0.890 90 L HN 0.518 nan 8.230 nan 0.000 0.439 91 N N -0.333 118.166 118.700 -0.335 0.000 2.120 91 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 91 N C 1.261 176.740 175.510 -0.052 0.000 1.024 91 N CA 1.468 54.356 53.050 -0.268 0.000 0.852 91 N CB -0.093 38.026 38.487 -0.613 0.000 1.003 91 N HN 0.687 nan 8.380 nan 0.000 0.424 92 Q N -0.499 119.278 119.800 -0.038 0.000 2.296 92 Q HA 0.240 4.580 4.340 -0.000 0.000 0.273 92 Q C -0.562 175.546 176.000 0.180 0.000 0.900 92 Q CA -0.236 55.609 55.803 0.071 0.000 0.993 92 Q CB -0.269 28.486 28.738 0.030 0.000 1.132 92 Q HN 0.183 nan 8.270 nan 0.000 0.439 93 c N 1.479 120.185 118.600 0.177 0.000 2.539 93 c HA 0.190 4.759 4.570 -0.000 0.000 0.392 93 c C 1.326 175.507 174.090 0.153 0.000 1.269 93 c CA -0.292 56.137 56.329 0.166 0.000 2.250 93 c CB 0.923 43.564 42.510 0.218 0.000 2.584 93 c HN 0.623 nan 8.230 nan 0.000 0.589 94 K N 0.616 121.080 120.400 0.107 0.000 2.166 94 K HA 0.126 4.446 4.320 -0.000 0.000 0.201 94 K C 0.923 177.613 176.600 0.150 0.000 1.052 94 K CA 0.983 57.338 56.287 0.113 0.000 0.969 94 K CB 0.211 32.760 32.500 0.082 0.000 0.761 94 K HN 0.624 nan 8.250 nan 0.000 0.459 95 E N -2.196 118.111 120.200 0.179 0.000 2.456 95 E HA 0.020 4.370 4.350 -0.000 0.000 0.278 95 E C -0.409 176.391 176.600 0.334 0.000 1.034 95 E CA -0.629 55.917 56.400 0.243 0.000 0.846 95 E CB 0.220 30.048 29.700 0.213 0.000 1.460 95 E HN 0.035 nan 8.360 nan 0.000 0.463 96 W N 0.749 122.084 121.300 0.059 0.000 2.290 96 W HA -0.342 4.318 4.660 -0.000 0.000 0.318 96 W C 1.770 178.352 176.519 0.105 0.000 1.248 96 W CA 2.160 59.531 57.345 0.044 0.000 1.263 96 W CB -0.226 29.230 29.460 -0.007 0.000 1.147 96 W HN 0.718 nan 8.180 nan 0.000 0.494 97 Y N 0.728 121.138 120.300 0.183 0.000 2.173 97 Y HA -0.387 4.163 4.550 -0.000 0.000 0.282 97 Y C 2.593 178.513 175.900 0.034 0.000 1.192 97 Y CA 2.323 60.476 58.100 0.089 0.000 1.176 97 Y CB -1.252 37.270 38.460 0.104 0.000 0.969 97 Y HN 0.041 nan 8.280 nan 0.000 0.519 98 c N -0.818 117.649 118.600 -0.222 0.000 2.485 98 c HA -0.007 4.563 4.570 -0.000 0.000 0.277 98 c C 2.493 176.463 174.090 -0.199 0.000 1.376 98 c CA 0.345 56.499 56.329 -0.292 0.000 1.759 98 c CB -1.980 40.412 42.510 -0.197 0.000 1.970 98 c HN 0.600 nan 8.230 nan 0.000 0.509 99 F N 1.746 121.480 119.950 -0.360 0.000 2.053 99 F HA 0.126 4.653 4.527 -0.000 0.000 0.292 99 F C 2.666 178.123 175.800 -0.572 0.000 1.125 99 F CA 1.749 59.475 58.000 -0.458 0.000 1.193 99 F CB -0.510 38.134 39.000 -0.593 0.000 0.996 99 F HN 0.033 nan 8.300 nan 0.000 0.470 100 R N -0.297 119.892 120.500 -0.519 0.000 2.113 100 R HA -0.198 4.142 4.340 -0.000 0.000 0.244 100 R C 2.407 178.484 176.300 -0.371 0.000 1.142 100 R CA 1.700 57.544 56.100 -0.426 0.000 0.953 100 R CB -0.946 29.118 30.300 -0.394 0.000 0.860 100 R HN 0.221 nan 8.270 nan 0.000 0.438 101 S N 0.719 116.091 115.700 -0.547 0.000 2.369 101 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 101 S C 1.560 175.641 174.600 -0.864 0.000 1.043 101 S CA 2.049 59.659 58.200 -0.984 0.000 1.074 101 S CB -0.401 61.885 63.200 -1.522 0.000 0.962 101 S HN 0.402 nan 8.310 nan 0.000 0.433 102 N N 1.377 119.717 118.700 -0.600 0.000 2.039 102 N HA 0.033 4.773 4.740 -0.000 0.000 0.193 102 N C 0.804 176.317 175.510 0.005 0.000 1.044 102 N CA 1.060 54.001 53.050 -0.181 0.000 0.847 102 N CB -0.230 38.291 38.487 0.057 0.000 1.030 102 N HN 0.364 nan 8.380 nan 0.000 0.422 103 A N -0.659 122.143 122.820 -0.030 0.000 3.030 103 A HA 0.593 4.913 4.320 -0.000 0.000 0.273 103 A C 0.566 178.196 177.584 0.076 0.000 1.841 103 A CA 0.604 52.762 52.037 0.202 0.000 1.479 103 A CB -0.901 18.165 19.000 0.110 0.000 1.048 103 A HN 0.417 nan 8.150 nan 0.000 0.612 104 A N 0.358 123.152 122.820 -0.045 0.000 2.665 104 A HA 0.149 4.469 4.320 -0.000 0.000 0.166 104 A C 1.294 178.773 177.584 -0.175 0.000 1.431 104 A CA 0.636 52.600 52.037 -0.121 0.000 1.883 104 A CB -0.994 17.922 19.000 -0.140 0.000 1.829 104 A HN 0.800 nan 8.150 nan 0.000 0.825 105 Y N 0.778 120.885 120.300 -0.322 0.000 2.069 105 Y HA -0.262 4.288 4.550 -0.000 0.000 0.278 105 Y C 1.976 177.606 175.900 -0.450 0.000 1.175 105 Y CA 3.095 60.949 58.100 -0.410 0.000 1.134 105 Y CB -0.395 37.728 38.460 -0.561 0.000 0.965 105 Y HN 0.332 nan 8.280 nan 0.000 0.498 106 F N -0.069 119.878 119.950 -0.005 0.000 2.098 106 F HA -0.078 4.449 4.527 -0.000 0.000 0.294 106 F C 2.703 178.324 175.800 -0.298 0.000 1.107 106 F CA 1.664 59.621 58.000 -0.071 0.000 1.234 106 F CB -1.098 37.966 39.000 0.106 0.000 1.002 106 F HN -0.098 nan 8.300 nan 0.000 0.472 107 R N 0.937 121.221 120.500 -0.360 0.000 2.208 107 R HA -0.277 4.063 4.340 -0.000 0.000 0.262 107 R C 1.745 177.699 176.300 -0.576 0.000 1.166 107 R CA 2.215 57.668 56.100 -1.078 0.000 0.987 107 R CB -0.560 29.095 30.300 -1.075 0.000 0.887 107 R HN 0.246 nan 8.270 nan 0.000 0.459 108 E N -0.402 119.572 120.200 -0.377 0.000 2.435 108 E HA -0.066 4.283 4.350 -0.000 0.000 0.195 108 E C 1.125 177.584 176.600 -0.235 0.000 1.029 108 E CA 0.867 57.102 56.400 -0.275 0.000 0.865 108 E CB 0.192 29.738 29.700 -0.257 0.000 0.833 108 E HN 0.519 nan 8.360 nan 0.000 0.510 109 R N -1.614 118.758 120.500 -0.213 0.000 2.538 109 R HA 0.300 4.640 4.340 -0.000 0.000 0.372 109 R C 0.154 176.439 176.300 -0.026 0.000 0.950 109 R CA -0.177 55.849 56.100 -0.124 0.000 1.168 109 R CB 0.227 30.428 30.300 -0.165 0.000 1.542 109 R HN 0.025 nan 8.270 nan 0.000 0.536 110 M N 1.718 121.319 119.600 0.001 0.000 2.654 110 M HA 0.282 4.762 4.480 -0.000 0.000 0.310 110 M C -0.169 176.137 176.300 0.010 0.000 1.211 110 M CA -0.830 54.497 55.300 0.045 0.000 0.947 110 M CB 1.849 34.519 32.600 0.116 0.000 1.647 110 M HN 0.028 nan 8.290 nan 0.000 0.481 111 N N 1.201 119.910 118.700 0.014 0.000 2.415 111 N HA -0.024 4.716 4.740 -0.000 0.000 0.248 111 N C 0.276 175.823 175.510 0.061 0.000 1.271 111 N CA 0.478 53.545 53.050 0.028 0.000 0.913 111 N CB 0.884 39.380 38.487 0.014 0.000 1.129 111 N HN 0.554 nan 8.380 nan 0.000 0.444 112 E N 1.330 121.591 120.200 0.102 0.000 2.118 112 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 112 E C 1.584 178.241 176.600 0.095 0.000 0.992 112 E CA 1.751 58.224 56.400 0.122 0.000 0.804 112 E CB -0.301 29.483 29.700 0.139 0.000 0.741 112 E HN 0.808 nan 8.360 nan 0.000 0.458 113 G N 0.556 109.347 108.800 -0.016 0.000 2.426 113 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 113 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 113 G C 1.278 175.769 174.900 -0.681 0.000 1.156 113 G CA 0.149 45.104 45.100 -0.243 0.000 0.802 113 G HN 0.142 nan 8.290 nan 0.000 0.534 114 E N -0.165 119.630 120.200 -0.675 0.000 2.051 114 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 114 E C 2.078 178.606 176.600 -0.120 0.000 0.991 114 E CA 0.805 56.921 56.400 -0.473 0.000 0.799 114 E CB -0.236 29.320 29.700 -0.240 0.000 0.748 114 E HN 0.382 nan 8.360 nan 0.000 0.449 115 F N 1.656 121.524 119.950 -0.137 0.000 2.051 115 F HA -0.234 4.293 4.527 -0.000 0.000 0.296 115 F C 2.295 178.100 175.800 0.008 0.000 1.122 115 F CA 1.105 59.079 58.000 -0.044 0.000 1.201 115 F CB -0.546 38.440 39.000 -0.023 0.000 0.978 115 F HN -0.220 nan 8.300 nan 0.000 0.472 116 V N -0.326 119.609 119.914 0.036 0.000 2.282 116 V HA -0.376 3.744 4.120 -0.000 0.000 0.249 116 V C 2.142 178.208 176.094 -0.046 0.000 1.057 116 V CA 2.418 64.698 62.300 -0.033 0.000 1.032 116 V CB -1.181 30.661 31.823 0.032 0.000 0.645 116 V HN 0.556 nan 8.190 nan 0.000 0.447 117 Y N 1.052 121.278 120.300 -0.122 0.000 2.128 117 Y HA -0.242 4.308 4.550 -0.000 0.000 0.284 117 Y C 2.370 178.244 175.900 -0.044 0.000 1.154 117 Y CA 1.842 59.913 58.100 -0.048 0.000 1.149 117 Y CB -0.550 37.930 38.460 0.033 0.000 0.976 117 Y HN 0.158 nan 8.280 nan 0.000 0.505 118 A N -0.090 122.724 122.820 -0.009 0.000 1.898 118 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 118 A C 2.186 179.676 177.584 -0.157 0.000 1.181 118 A CA 1.618 53.610 52.037 -0.075 0.000 0.620 118 A CB -1.237 17.722 19.000 -0.068 0.000 0.819 118 A HN 0.572 nan 8.150 nan 0.000 0.442 119 L N -1.653 119.360 121.223 -0.350 0.000 2.042 119 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 119 L C 2.297 179.138 176.870 -0.047 0.000 1.076 119 L CA 1.981 56.641 54.840 -0.301 0.000 0.749 119 L CB -0.679 41.029 42.059 -0.584 0.000 0.893 119 L HN 0.439 nan 8.230 nan 0.000 0.432 120 Y N -1.188 118.999 120.300 -0.187 0.000 2.114 120 Y HA -0.200 4.349 4.550 -0.000 0.000 0.284 120 Y C 2.618 178.459 175.900 -0.098 0.000 1.143 120 Y CA 1.789 59.815 58.100 -0.124 0.000 1.135 120 Y CB -0.942 37.428 38.460 -0.150 0.000 0.980 120 Y HN -0.040 nan 8.280 nan 0.000 0.499 121 V N -0.979 118.931 119.914 -0.006 0.000 2.392 121 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 121 V C 2.260 178.513 176.094 0.265 0.000 1.059 121 V CA 2.213 64.528 62.300 0.026 0.000 1.051 121 V CB -0.729 30.957 31.823 -0.228 0.000 0.658 121 V HN 0.374 nan 8.190 nan 0.000 0.455 122 S N -0.745 115.135 115.700 0.301 0.000 2.368 122 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 122 S C 1.967 176.803 174.600 0.393 0.000 1.029 122 S CA 1.371 59.815 58.200 0.407 0.000 0.988 122 S CB -0.097 63.176 63.200 0.122 0.000 0.838 122 S HN 0.377 nan 8.310 nan 0.000 0.462 123 V N 2.446 122.542 119.914 0.303 0.000 2.295 123 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 123 V C 2.058 178.219 176.094 0.111 0.000 1.049 123 V CA 1.533 63.985 62.300 0.253 0.000 1.024 123 V CB -0.610 31.290 31.823 0.128 0.000 0.648 123 V HN 0.459 nan 8.190 nan 0.000 0.447 124 I N -0.741 119.832 120.570 0.006 0.000 2.163 124 I HA -0.268 3.901 4.170 -0.000 0.000 0.243 124 I C 2.417 178.316 176.117 -0.363 0.000 1.085 124 I CA 1.757 62.950 61.300 -0.178 0.000 1.347 124 I CB -0.614 37.212 38.000 -0.290 0.000 1.044 124 I HN 0.433 nan 8.210 nan 0.000 0.408 125 H N -0.619 118.484 119.070 0.054 0.000 2.516 125 H HA 0.168 4.724 4.556 -0.000 0.000 0.284 125 H C 1.432 176.813 175.328 0.089 0.000 0.999 125 H CA 0.306 56.394 56.048 0.068 0.000 1.303 125 H CB 0.167 30.186 29.762 0.428 0.000 1.452 125 H HN 0.172 nan 8.280 nan 0.000 0.530 126 S N 1.795 117.674 115.700 0.300 0.000 2.564 126 S HA 0.011 4.481 4.470 -0.000 0.000 0.278 126 S C 1.482 176.178 174.600 0.160 0.000 1.333 126 S CA -0.746 57.620 58.200 0.277 0.000 1.048 126 S CB 0.940 64.359 63.200 0.364 0.000 0.900 126 S HN 0.249 nan 8.310 nan 0.000 0.505 127 K N 3.989 124.493 120.400 0.173 0.000 2.059 127 K HA -0.183 4.137 4.320 -0.000 0.000 0.212 127 K C 1.664 178.353 176.600 0.148 0.000 1.050 127 K CA 1.470 57.851 56.287 0.158 0.000 0.927 127 K CB -0.786 31.813 32.500 0.165 0.000 0.714 127 K HN 0.633 nan 8.250 nan 0.000 0.447 128 L N 1.112 122.438 121.223 0.172 0.000 2.675 128 L HA -0.004 4.336 4.340 -0.000 0.000 0.238 128 L C 1.273 178.145 176.870 0.004 0.000 1.155 128 L CA 0.388 55.299 54.840 0.119 0.000 0.881 128 L CB -0.132 42.080 42.059 0.256 0.000 1.008 128 L HN 0.295 nan 8.230 nan 0.000 0.443 129 G N -2.051 106.774 108.800 0.041 0.000 4.547 129 G HA2 0.023 3.983 3.960 -0.000 0.000 0.301 129 G HA3 0.023 3.983 3.960 -0.000 0.000 0.301 129 G C 0.498 175.375 174.900 -0.039 0.000 1.240 129 G CA -0.352 44.724 45.100 -0.041 0.000 0.970 129 G HN 0.042 nan 8.290 nan 0.000 0.574 130 D N 1.391 121.760 120.400 -0.053 0.000 2.075 130 D HA -0.110 4.529 4.640 -0.000 0.000 0.196 130 D C 2.604 178.855 176.300 -0.081 0.000 0.985 130 D CA 1.627 55.600 54.000 -0.044 0.000 0.834 130 D CB -0.134 40.643 40.800 -0.037 0.000 0.987 130 D HN 0.331 nan 8.370 nan 0.000 0.452 131 G N 1.167 109.890 108.800 -0.128 0.000 2.485 131 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.221 131 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.221 131 G C 1.069 175.909 174.900 -0.100 0.000 1.115 131 G CA 0.382 45.413 45.100 -0.115 0.000 0.751 131 G HN 0.261 nan 8.290 nan 0.000 0.567 132 I N 0.482 120.982 120.570 -0.117 0.000 2.696 132 I HA 0.215 4.385 4.170 -0.000 0.000 0.284 132 I C -0.132 175.955 176.117 -0.050 0.000 1.129 132 I CA -0.484 60.764 61.300 -0.087 0.000 1.410 132 I CB 1.522 39.466 38.000 -0.093 0.000 1.399 132 I HN -0.266 nan 8.210 nan 0.000 0.579 133 V N 6.793 126.683 119.914 -0.041 0.000 2.398 133 V HA 0.345 4.465 4.120 -0.000 0.000 0.286 133 V C 0.172 176.220 176.094 -0.076 0.000 1.026 133 V CA -0.621 61.661 62.300 -0.030 0.000 0.868 133 V CB 1.512 33.324 31.823 -0.019 0.000 0.982 133 V HN 0.448 nan 8.190 nan 0.000 0.443 134 L N 6.946 128.101 121.223 -0.113 0.000 2.350 134 L HA 0.405 4.745 4.340 -0.000 0.000 0.275 134 L C -2.064 174.744 176.870 -0.105 0.000 1.099 134 L CA -1.620 53.097 54.840 -0.205 0.000 0.808 134 L CB 1.271 43.070 42.059 -0.433 0.000 1.149 134 L HN 0.426 nan 8.230 nan 0.000 0.442 135 P HA 0.053 nan 4.420 nan 0.000 0.269 135 P C -2.531 174.663 177.300 -0.175 0.000 1.211 135 P CA -0.722 62.308 63.100 -0.116 0.000 0.781 135 P CB -0.149 31.286 31.700 -0.442 0.000 0.877 136 P HA 0.167 nan 4.420 nan 0.000 0.282 136 P C 0.869 177.789 177.300 -0.634 0.000 1.262 136 P CA -0.066 62.689 63.100 -0.575 0.000 0.773 136 P CB 0.363 31.287 31.700 -1.294 0.000 0.879 137 L N 3.325 124.276 121.223 -0.452 0.000 2.034 137 L HA -0.311 4.028 4.340 -0.000 0.000 0.217 137 L C 2.288 178.733 176.870 -0.708 0.000 1.077 137 L CA 2.057 56.609 54.840 -0.480 0.000 0.769 137 L CB -1.070 40.813 42.059 -0.293 0.000 0.890 137 L HN 0.519 nan 8.230 nan 0.000 0.435 138 Y N 0.063 119.731 120.300 -1.053 0.000 2.228 138 Y HA -0.314 4.236 4.550 -0.000 0.000 0.285 138 Y C 2.363 178.076 175.900 -0.311 0.000 1.178 138 Y CA 1.523 59.017 58.100 -1.011 0.000 1.202 138 Y CB -1.333 36.485 38.460 -1.070 0.000 0.974 138 Y HN 0.450 nan 8.280 nan 0.000 0.527 139 Q N -0.887 118.797 119.800 -0.192 0.000 2.373 139 Q HA 0.074 4.413 4.340 -0.000 0.000 0.210 139 Q C 1.797 177.788 176.000 -0.014 0.000 0.913 139 Q CA 0.474 56.325 55.803 0.080 0.000 0.911 139 Q CB -0.125 28.735 28.738 0.203 0.000 1.040 139 Q HN 0.396 nan 8.270 nan 0.000 0.521 140 I N 2.552 123.021 120.570 -0.168 0.000 2.286 140 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 140 I C 1.332 177.483 176.117 0.058 0.000 1.104 140 I CA 1.526 62.743 61.300 -0.137 0.000 1.397 140 I CB -0.512 37.373 38.000 -0.191 0.000 1.072 140 I HN 0.327 nan 8.210 nan 0.000 0.417 141 T N -2.623 111.997 114.554 0.109 0.000 3.418 141 T HA 0.389 4.738 4.350 -0.000 0.000 0.315 141 T C -2.102 172.806 174.700 0.346 0.000 1.447 141 T CA -1.411 60.881 62.100 0.320 0.000 1.641 141 T CB 1.268 70.314 68.868 0.297 0.000 0.904 141 T HN -0.095 nan 8.240 nan 0.000 0.640 142 P HA -0.030 nan 4.420 nan 0.000 0.230 142 P C 1.331 178.764 177.300 0.221 0.000 1.158 142 P CA 0.542 63.802 63.100 0.266 0.000 0.769 142 P CB -0.051 31.787 31.700 0.230 0.000 0.807 143 H N -1.619 117.606 119.070 0.258 0.000 2.495 143 H HA 0.087 4.642 4.556 -0.000 0.000 0.287 143 H C 1.378 176.828 175.328 0.203 0.000 1.033 143 H CA 1.009 57.169 56.048 0.187 0.000 1.307 143 H CB 0.085 29.913 29.762 0.110 0.000 1.401 143 H HN 0.137 nan 8.280 nan 0.000 0.555 144 M N -0.513 119.308 119.600 0.369 0.000 2.556 144 M HA 0.019 4.499 4.480 -0.000 0.000 0.245 144 M C 0.622 176.921 176.300 -0.000 0.000 1.128 144 M CA 0.607 55.986 55.300 0.133 0.000 1.069 144 M CB -0.382 32.258 32.600 0.065 0.000 1.469 144 M HN 0.143 nan 8.290 nan 0.000 0.494 145 F N -1.514 118.454 119.950 0.030 0.000 2.784 145 F HA 0.245 4.772 4.527 -0.000 0.000 0.316 145 F C 1.027 176.829 175.800 0.004 0.000 1.026 145 F CA -0.432 57.554 58.000 -0.024 0.000 1.188 145 F CB -0.522 38.437 39.000 -0.070 0.000 0.999 145 F HN -0.204 nan 8.300 nan 0.000 0.605 146 T N 0.876 115.589 114.554 0.264 0.000 2.922 146 T HA 0.221 4.571 4.350 -0.000 0.000 0.285 146 T C 0.229 174.993 174.700 0.107 0.000 1.005 146 T CA -0.488 61.749 62.100 0.228 0.000 1.061 146 T CB 1.288 70.276 68.868 0.199 0.000 1.007 146 T HN -0.113 nan 8.240 nan 0.000 0.502 147 N N 0.365 119.114 118.700 0.081 0.000 2.179 147 N HA -0.031 4.709 4.740 -0.000 0.000 0.219 147 N C 1.291 176.801 175.510 0.001 0.000 1.352 147 N CA 0.460 53.530 53.050 0.034 0.000 0.856 147 N CB 0.132 38.628 38.487 0.015 0.000 1.040 147 N HN 0.469 nan 8.380 nan 0.000 0.436 148 S N -1.408 114.283 115.700 -0.014 0.000 2.502 148 S HA 0.096 4.566 4.470 -0.000 0.000 0.215 148 S C 1.282 175.828 174.600 -0.090 0.000 1.009 148 S CA -0.166 58.018 58.200 -0.027 0.000 0.908 148 S CB -0.134 63.067 63.200 0.001 0.000 0.801 148 S HN 0.538 nan 8.310 nan 0.000 0.505 149 E N 0.743 120.890 120.200 -0.088 0.000 2.042 149 E HA -0.032 4.318 4.350 -0.000 0.000 0.189 149 E C 1.774 178.248 176.600 -0.210 0.000 0.974 149 E CA 0.919 57.239 56.400 -0.133 0.000 0.806 149 E CB -0.049 29.595 29.700 -0.093 0.000 0.769 149 E HN 0.259 nan 8.360 nan 0.000 0.451 150 V N 2.055 121.871 119.914 -0.163 0.000 2.568 150 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 150 V C 2.455 178.370 176.094 -0.298 0.000 1.072 150 V CA 0.977 63.144 62.300 -0.223 0.000 1.084 150 V CB -0.414 31.368 31.823 -0.068 0.000 0.676 150 V HN 0.383 nan 8.190 nan 0.000 0.469 151 I N 0.190 120.597 120.570 -0.270 0.000 2.252 151 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 151 I C 2.133 177.897 176.117 -0.589 0.000 1.102 151 I CA 1.575 62.627 61.300 -0.412 0.000 1.385 151 I CB -1.007 36.753 38.000 -0.401 0.000 1.064 151 I HN 0.326 nan 8.210 nan 0.000 0.414 152 D N 0.456 120.595 120.400 -0.435 0.000 2.219 152 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 152 D C 2.145 178.225 176.300 -0.366 0.000 0.970 152 D CA 0.792 54.553 54.000 -0.399 0.000 0.851 152 D CB 0.023 40.700 40.800 -0.205 0.000 0.943 152 D HN 0.330 nan 8.370 nan 0.000 0.488 153 K N 0.317 120.409 120.400 -0.515 0.000 2.217 153 K HA 0.058 4.378 4.320 -0.000 0.000 0.202 153 K C 1.935 178.155 176.600 -0.633 0.000 1.051 153 K CA 0.817 56.623 56.287 -0.802 0.000 0.952 153 K CB 0.110 31.669 32.500 -1.569 0.000 0.736 153 K HN 0.036 nan 8.250 nan 0.000 0.453 154 A N 0.685 123.267 122.820 -0.397 0.000 2.016 154 A HA -0.101 4.218 4.320 -0.000 0.000 0.217 154 A C 1.632 179.293 177.584 0.129 0.000 1.162 154 A CA 0.814 52.883 52.037 0.052 0.000 0.662 154 A CB -0.436 18.624 19.000 0.100 0.000 0.812 154 A HN 0.170 nan 8.150 nan 0.000 0.450 155 Y N 0.037 120.332 120.300 -0.009 0.000 2.293 155 Y HA -0.053 4.497 4.550 -0.000 0.000 0.291 155 Y C 2.919 178.830 175.900 0.019 0.000 1.137 155 Y CA 0.627 58.739 58.100 0.019 0.000 1.202 155 Y CB -0.933 37.538 38.460 0.018 0.000 0.990 155 Y HN 0.283 nan 8.280 nan 0.000 0.537 156 S N -0.473 115.304 115.700 0.128 0.000 2.377 156 S HA -0.052 4.417 4.470 -0.000 0.000 0.223 156 S C 2.335 177.008 174.600 0.121 0.000 1.030 156 S CA 0.712 58.971 58.200 0.098 0.000 0.970 156 S CB -0.474 62.752 63.200 0.043 0.000 0.830 156 S HN 0.457 nan 8.310 nan 0.000 0.473 157 A N 2.279 125.198 122.820 0.165 0.000 1.863 157 A HA -0.265 4.054 4.320 -0.000 0.000 0.218 157 A C 2.040 179.707 177.584 0.138 0.000 1.233 157 A CA 2.259 54.414 52.037 0.198 0.000 0.655 157 A CB -0.942 18.229 19.000 0.286 0.000 0.839 157 A HN 0.359 nan 8.150 nan 0.000 0.454 158 K N -0.182 120.310 120.400 0.153 0.000 2.034 158 K HA -0.187 4.133 4.320 -0.000 0.000 0.214 158 K C 2.095 178.749 176.600 0.090 0.000 1.051 158 K CA 2.399 58.758 56.287 0.121 0.000 0.931 158 K CB -0.710 31.874 32.500 0.140 0.000 0.715 158 K HN 0.647 nan 8.250 nan 0.000 0.446 159 M N -0.134 119.520 119.600 0.091 0.000 2.088 159 M HA -0.192 4.288 4.480 -0.000 0.000 0.256 159 M C 2.083 178.415 176.300 0.052 0.000 1.071 159 M CA 2.641 57.977 55.300 0.061 0.000 1.097 159 M CB -1.251 31.384 32.600 0.058 0.000 1.315 159 M HN 0.334 nan 8.290 nan 0.000 0.406 160 T N -2.532 112.057 114.554 0.059 0.000 3.148 160 T HA 0.022 4.372 4.350 -0.000 0.000 0.253 160 T C 0.794 175.521 174.700 0.046 0.000 1.134 160 T CA 0.134 62.263 62.100 0.048 0.000 1.051 160 T CB -0.085 68.812 68.868 0.050 0.000 0.959 160 T HN 0.495 nan 8.240 nan 0.000 0.525 161 Q N 0.030 119.861 119.800 0.053 0.000 2.494 161 Q HA -0.176 4.163 4.340 -0.000 0.000 0.266 161 Q C -0.232 175.789 176.000 0.037 0.000 1.053 161 Q CA 1.023 56.852 55.803 0.043 0.000 1.029 161 Q CB -1.682 27.074 28.738 0.031 0.000 1.423 161 Q HN 0.799 nan 8.270 nan 0.000 0.516 162 K N 0.630 121.057 120.400 0.045 0.000 2.376 162 K HA 0.555 4.875 4.320 -0.000 0.000 0.257 162 K C -2.764 173.857 176.600 0.036 0.000 0.939 162 K CA -1.847 54.459 56.287 0.032 0.000 0.809 162 K CB 2.249 34.770 32.500 0.035 0.000 1.121 162 K HN -0.268 nan 8.250 nan 0.000 0.425 163 P HA 0.504 nan 4.420 nan 0.000 0.282 163 P C -0.814 176.420 177.300 -0.110 0.000 1.287 163 P CA -0.257 62.825 63.100 -0.031 0.000 0.792 163 P CB 0.970 32.638 31.700 -0.053 0.000 1.163 164 G N -1.569 107.107 108.800 -0.207 0.000 2.348 164 G HA2 0.295 4.255 3.960 -0.000 0.000 0.606 164 G HA3 0.295 4.255 3.960 -0.000 0.000 0.606 164 G C -0.799 173.648 174.900 -0.754 0.000 1.466 164 G CA -0.403 44.464 45.100 -0.387 0.000 0.950 164 G HN 0.701 nan 8.290 nan 0.000 0.657 165 T N -0.743 113.458 114.554 -0.589 0.000 2.856 165 T HA 0.760 5.110 4.350 -0.000 0.000 0.292 165 T C -0.155 174.118 174.700 -0.711 0.000 0.980 165 T CA -0.397 61.324 62.100 -0.631 0.000 1.091 165 T CB 0.401 69.073 68.868 -0.325 0.000 0.936 165 T HN 0.866 nan 8.240 nan 0.000 0.503 166 F N 2.072 121.954 119.950 -0.112 0.000 2.492 166 F HA 0.533 5.059 4.527 -0.000 0.000 0.327 166 F C 0.543 176.265 175.800 -0.130 0.000 1.079 166 F CA -1.456 56.481 58.000 -0.105 0.000 0.967 166 F CB 1.127 40.071 39.000 -0.093 0.000 1.169 166 F HN 0.406 nan 8.300 nan 0.000 0.472 167 N N 1.364 120.102 118.700 0.063 0.000 2.434 167 N HA 0.419 5.159 4.740 -0.000 0.000 0.272 167 N C -0.666 174.816 175.510 -0.046 0.000 1.040 167 N CA -0.405 52.611 53.050 -0.058 0.000 0.956 167 N CB 1.726 40.152 38.487 -0.101 0.000 1.108 167 N HN 0.543 nan 8.380 nan 0.000 0.481 168 V N 0.228 120.095 119.914 -0.080 0.000 2.997 168 V HA 0.477 4.596 4.120 -0.000 0.000 0.311 168 V C 1.163 177.175 176.094 -0.137 0.000 1.066 168 V CA -0.360 61.904 62.300 -0.059 0.000 1.039 168 V CB 1.364 33.195 31.823 0.013 0.000 1.081 168 V HN 0.689 nan 8.190 nan 0.000 0.467 169 S N 0.929 116.574 115.700 -0.092 0.000 2.387 169 S HA 0.375 4.844 4.470 -0.000 0.000 0.221 169 S C 0.154 174.699 174.600 -0.091 0.000 1.041 169 S CA 0.265 58.404 58.200 -0.103 0.000 0.959 169 S CB -0.519 62.674 63.200 -0.011 0.000 0.843 169 S HN 1.211 nan 8.310 nan 0.000 0.488 170 F N -0.015 119.961 119.950 0.044 0.000 2.183 170 F HA -0.092 4.435 4.527 -0.000 0.000 0.318 170 F C 0.982 176.803 175.800 0.034 0.000 1.062 170 F CA -0.458 57.573 58.000 0.052 0.000 0.912 170 F CB -1.266 37.771 39.000 0.061 0.000 4.133 170 F HN 0.132 nan 8.300 nan 0.000 0.138 171 T N 1.744 116.457 114.554 0.265 0.000 2.688 171 T HA 0.290 4.640 4.350 -0.000 0.000 0.237 171 T C 1.322 176.064 174.700 0.070 0.000 1.120 171 T CA 1.204 63.373 62.100 0.116 0.000 1.469 171 T CB -0.503 68.405 68.868 0.067 0.000 1.032 171 T HN 0.894 nan 8.240 nan 0.000 0.405 172 G N 0.784 109.623 108.800 0.064 0.000 2.486 172 G HA2 0.260 4.219 3.960 -0.000 0.000 0.272 172 G HA3 0.260 4.219 3.960 -0.000 0.000 0.272 172 G C -0.277 174.663 174.900 0.067 0.000 1.426 172 G CA -0.446 44.682 45.100 0.046 0.000 1.058 172 G HN 0.412 nan 8.290 nan 0.000 0.531 173 T N 1.896 116.484 114.554 0.056 0.000 3.474 173 T HA 0.163 4.512 4.350 -0.000 0.000 0.270 173 T C 0.670 175.412 174.700 0.070 0.000 1.079 173 T CA -0.129 62.005 62.100 0.056 0.000 1.110 173 T CB -0.054 68.841 68.868 0.044 0.000 1.087 173 T HN 0.252 nan 8.240 nan 0.000 0.784 174 K N 3.964 124.417 120.400 0.088 0.000 2.527 174 K HA -0.066 4.253 4.320 -0.000 0.000 0.278 174 K C 0.476 177.128 176.600 0.086 0.000 0.981 174 K CA 0.415 56.766 56.287 0.106 0.000 1.009 174 K CB 0.294 32.883 32.500 0.148 0.000 0.895 174 K HN 0.692 nan 8.250 nan 0.000 0.493 175 K N 2.179 122.632 120.400 0.087 0.000 4.326 175 K HA -0.260 4.060 4.320 -0.000 0.000 0.299 175 K C -0.205 176.433 176.600 0.063 0.000 1.005 175 K CA 1.195 57.527 56.287 0.076 0.000 0.935 175 K CB -1.986 30.557 32.500 0.072 0.000 1.551 175 K HN 0.998 nan 8.250 nan 0.000 0.438 176 N N -1.228 117.509 118.700 0.062 0.000 2.466 176 N HA -0.059 4.681 4.740 -0.000 0.000 0.331 176 N C 0.276 175.819 175.510 0.056 0.000 1.149 176 N CA 0.199 53.281 53.050 0.053 0.000 2.034 176 N CB 0.484 38.999 38.487 0.047 0.000 2.182 176 N HN 0.430 nan 8.380 nan 0.000 1.142 177 R N 0.749 121.287 120.500 0.064 0.000 2.400 177 R HA 0.371 4.710 4.340 -0.000 0.000 0.112 177 R C -0.359 175.977 176.300 0.059 0.000 1.488 177 R CA 0.199 56.337 56.100 0.062 0.000 1.275 177 R CB 0.094 30.436 30.300 0.070 0.000 1.084 177 R HN 0.126 nan 8.270 nan 0.000 0.426 178 E N 0.324 120.559 120.200 0.059 0.000 3.279 178 E HA 0.089 4.438 4.350 -0.000 0.000 0.132 178 E C -0.767 175.860 176.600 0.045 0.000 0.907 178 E CA -0.131 56.294 56.400 0.042 0.000 1.491 178 E CB 0.375 30.101 29.700 0.043 0.000 1.021 178 E HN 0.178 nan 8.360 nan 0.000 0.390 179 Q N 1.405 121.237 119.800 0.053 0.000 2.824 179 Q HA 0.308 4.648 4.340 -0.000 0.000 0.371 179 Q C 0.274 176.292 176.000 0.030 0.000 1.071 179 Q CA -0.033 55.794 55.803 0.040 0.000 1.064 179 Q CB 1.061 29.846 28.738 0.077 0.000 1.332 179 Q HN 0.402 nan 8.270 nan 0.000 0.445 180 R N -1.114 119.395 120.500 0.015 0.000 2.636 180 R HA 0.132 4.472 4.340 -0.000 0.000 0.259 180 R C 0.206 176.542 176.300 0.060 0.000 0.970 180 R CA 0.181 56.318 56.100 0.062 0.000 1.107 180 R CB 0.760 31.095 30.300 0.058 0.000 1.687 180 R HN 0.083 nan 8.270 nan 0.000 0.527 181 V N 1.191 121.063 119.914 -0.070 0.000 2.988 181 V HA 0.471 4.591 4.120 -0.000 0.000 0.356 181 V C 1.005 176.874 176.094 -0.376 0.000 1.380 181 V CA 0.603 62.745 62.300 -0.262 0.000 1.184 181 V CB 0.746 32.386 31.823 -0.305 0.000 1.204 181 V HN 0.449 nan 8.190 nan 0.000 0.530 182 A N 0.463 123.104 122.820 -0.299 0.000 1.902 182 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 182 A C 1.848 179.140 177.584 -0.486 0.000 1.181 182 A CA 2.169 53.992 52.037 -0.356 0.000 0.623 182 A CB -0.646 18.043 19.000 -0.519 0.000 0.818 182 A HN 0.902 nan 8.150 nan 0.000 0.443 183 Y N -2.341 117.627 120.300 -0.553 0.000 2.298 183 Y HA -0.189 4.361 4.550 -0.000 0.000 0.287 183 Y C 1.906 177.821 175.900 0.025 0.000 1.164 183 Y CA 1.226 59.151 58.100 -0.291 0.000 1.229 183 Y CB -0.898 37.619 38.460 0.094 0.000 0.977 183 Y HN 0.266 nan 8.280 nan 0.000 0.538 184 F N 1.555 121.071 119.950 -0.723 0.000 2.147 184 F HA 0.212 4.739 4.527 -0.000 0.000 0.291 184 F C 2.461 178.157 175.800 -0.173 0.000 1.093 184 F CA 1.549 59.302 58.000 -0.412 0.000 1.263 184 F CB -0.735 37.929 39.000 -0.560 0.000 1.036 184 F HN 0.056 nan 8.300 nan 0.000 0.481 185 G N -0.584 108.257 108.800 0.069 0.000 2.422 185 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.218 185 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.218 185 G C 1.391 176.251 174.900 -0.068 0.000 1.140 185 G CA 0.603 45.725 45.100 0.037 0.000 0.775 185 G HN 0.456 nan 8.290 nan 0.000 0.545 186 E N 0.274 120.448 120.200 -0.042 0.000 2.489 186 E HA 0.018 4.367 4.350 -0.000 0.000 0.193 186 E C 0.045 176.669 176.600 0.040 0.000 1.057 186 E CA -0.412 55.995 56.400 0.013 0.000 0.866 186 E CB 0.216 29.954 29.700 0.063 0.000 0.916 186 E HN 0.331 nan 8.360 nan 0.000 0.500 187 D N 0.957 121.344 120.400 -0.022 0.000 2.389 187 D HA -0.032 4.608 4.640 -0.000 0.000 0.247 187 D C 1.245 177.512 176.300 -0.055 0.000 1.128 187 D CA -0.194 53.792 54.000 -0.023 0.000 0.884 187 D CB 1.043 41.806 40.800 -0.062 0.000 1.194 187 D HN 0.130 nan 8.370 nan 0.000 0.441 188 I N 1.182 121.683 120.570 -0.114 0.000 3.176 188 I HA 0.154 4.324 4.170 -0.000 0.000 0.275 188 I C 1.574 177.662 176.117 -0.048 0.000 1.298 188 I CA 0.521 61.748 61.300 -0.122 0.000 1.445 188 I CB 0.037 37.678 38.000 -0.598 0.000 1.075 188 I HN 0.334 nan 8.210 nan 0.000 0.482 189 G N 0.825 109.569 108.800 -0.094 0.000 2.441 189 G HA2 0.026 3.986 3.960 -0.000 0.000 0.212 189 G HA3 0.026 3.986 3.960 -0.000 0.000 0.212 189 G C 1.535 176.456 174.900 0.035 0.000 1.164 189 G CA 0.209 45.292 45.100 -0.029 0.000 0.811 189 G HN 0.208 nan 8.290 nan 0.000 0.535 190 M N 0.902 120.471 119.600 -0.051 0.000 2.193 190 M HA 0.021 4.501 4.480 -0.000 0.000 0.265 190 M C 2.206 178.536 176.300 0.049 0.000 1.071 190 M CA 0.841 56.111 55.300 -0.050 0.000 1.140 190 M CB -1.053 31.367 32.600 -0.301 0.000 1.369 190 M HN 0.302 nan 8.290 nan 0.000 0.423 191 N N 0.503 119.219 118.700 0.027 0.000 2.149 191 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 191 N C 1.680 177.341 175.510 0.252 0.000 1.019 191 N CA 0.825 53.925 53.050 0.084 0.000 0.857 191 N CB 0.059 38.539 38.487 -0.012 0.000 0.997 191 N HN 0.152 nan 8.380 nan 0.000 0.426 192 I N 1.300 122.065 120.570 0.325 0.000 2.058 192 I HA -0.276 3.894 4.170 -0.000 0.000 0.235 192 I C 2.421 178.703 176.117 0.275 0.000 1.053 192 I CA 1.641 63.143 61.300 0.338 0.000 1.313 192 I CB -1.609 36.566 38.000 0.292 0.000 1.039 192 I HN 0.261 nan 8.210 nan 0.000 0.396 193 H N 0.483 119.641 119.070 0.146 0.000 2.330 193 H HA -0.298 4.258 4.556 -0.000 0.000 0.290 193 H C 2.467 177.928 175.328 0.222 0.000 1.111 193 H CA 2.650 58.790 56.048 0.153 0.000 1.226 193 H CB -0.747 29.069 29.762 0.090 0.000 1.355 193 H HN 0.489 nan 8.280 nan 0.000 0.485 194 H N -0.737 118.263 119.070 -0.118 0.000 2.289 194 H HA -0.167 4.389 4.556 -0.000 0.000 0.296 194 H C 2.503 177.833 175.328 0.002 0.000 1.091 194 H CA 2.204 58.122 56.048 -0.217 0.000 1.274 194 H CB -0.124 29.521 29.762 -0.194 0.000 1.364 194 H HN 0.402 nan 8.280 nan 0.000 0.490 195 V N -0.125 119.851 119.914 0.103 0.000 2.307 195 V HA -0.186 3.933 4.120 -0.000 0.000 0.245 195 V C 2.140 178.336 176.094 0.170 0.000 1.045 195 V CA 2.328 64.722 62.300 0.157 0.000 1.024 195 V CB -0.936 31.035 31.823 0.248 0.000 0.651 195 V HN 0.491 nan 8.190 nan 0.000 0.449 196 T N -0.852 113.800 114.554 0.163 0.000 2.665 196 T HA -0.296 4.054 4.350 -0.000 0.000 0.268 196 T C 1.306 176.052 174.700 0.076 0.000 1.035 196 T CA 2.248 64.423 62.100 0.125 0.000 1.151 196 T CB -0.788 68.163 68.868 0.139 0.000 0.862 196 T HN 0.811 nan 8.240 nan 0.000 0.438 197 W N 2.029 123.314 121.300 -0.025 0.000 2.290 197 W HA -0.244 4.416 4.660 -0.000 0.000 0.323 197 W C 1.887 178.401 176.519 -0.009 0.000 1.260 197 W CA 1.598 58.917 57.345 -0.044 0.000 1.266 197 W CB -0.365 28.944 29.460 -0.253 0.000 1.149 197 W HN 0.352 nan 8.180 nan 0.000 0.482 198 H N -0.660 118.528 119.070 0.196 0.000 2.669 198 H HA 0.130 4.686 4.556 -0.000 0.000 0.297 198 H C 1.273 176.594 175.328 -0.011 0.000 1.071 198 H CA 1.038 57.142 56.048 0.092 0.000 1.182 198 H CB -0.270 29.429 29.762 -0.105 0.000 1.343 198 H HN 0.371 nan 8.280 nan 0.000 0.582 199 M N -1.260 118.322 119.600 -0.029 0.000 2.312 199 M HA 0.015 4.495 4.480 -0.000 0.000 0.260 199 M C 1.063 177.261 176.300 -0.171 0.000 1.253 199 M CA 0.203 55.476 55.300 -0.046 0.000 1.114 199 M CB 0.854 33.451 32.600 -0.006 0.000 1.660 199 M HN -0.046 nan 8.290 nan 0.000 0.581 200 D N 0.502 120.678 120.400 -0.373 0.000 2.084 200 D HA -0.007 4.632 4.640 -0.000 0.000 0.196 200 D C -0.314 175.319 176.300 -1.112 0.000 0.985 200 D CA 1.510 55.068 54.000 -0.738 0.000 0.826 200 D CB 0.235 40.538 40.800 -0.827 0.000 0.978 200 D HN 0.191 nan 8.370 nan 0.000 0.456 201 F N 0.506 120.014 119.950 -0.737 0.000 2.552 201 F HA 0.375 4.901 4.527 -0.000 0.000 0.369 201 F C -2.323 173.104 175.800 -0.621 0.000 1.112 201 F CA -2.505 55.036 58.000 -0.766 0.000 1.129 201 F CB 1.571 40.066 39.000 -0.842 0.000 1.360 201 F HN -0.256 nan 8.300 nan 0.000 0.473 202 P HA 0.114 nan 4.420 nan 0.000 0.278 202 P C 0.831 177.873 177.300 -0.430 0.000 1.238 202 P CA -0.496 62.207 63.100 -0.663 0.000 0.794 202 P CB 0.627 31.405 31.700 -1.537 0.000 0.955 203 F N 1.499 121.391 119.950 -0.095 0.000 2.216 203 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 203 F C 1.426 177.257 175.800 0.052 0.000 1.085 203 F CA 0.388 58.415 58.000 0.045 0.000 1.326 203 F CB -1.575 37.555 39.000 0.217 0.000 1.027 203 F HN 0.389 nan 8.300 nan 0.000 0.497 204 W N -0.594 120.665 121.300 -0.069 0.000 3.405 204 W HA 0.128 4.788 4.660 -0.000 0.000 0.300 204 W C 0.520 177.163 176.519 0.207 0.000 1.286 204 W CA -1.305 56.092 57.345 0.087 0.000 1.762 204 W CB -1.270 28.151 29.460 -0.064 0.000 1.087 204 W HN 0.116 nan 8.180 nan 0.000 0.703 205 W N 4.488 125.731 121.300 -0.095 0.000 2.251 205 W HA 0.182 4.841 4.660 -0.000 0.000 0.327 205 W C -0.533 176.128 176.519 0.236 0.000 1.361 205 W CA 0.515 57.900 57.345 0.068 0.000 1.234 205 W CB 0.713 29.954 29.460 -0.366 0.000 1.212 205 W HN 0.016 nan 8.180 nan 0.000 0.557 206 E N 3.084 123.090 120.200 -0.324 0.000 2.235 206 E HA 0.058 4.407 4.350 -0.000 0.000 0.265 206 E C -0.349 175.929 176.600 -0.537 0.000 0.940 206 E CA -0.655 55.553 56.400 -0.320 0.000 0.819 206 E CB 1.312 30.764 29.700 -0.413 0.000 1.206 206 E HN 0.328 nan 8.360 nan 0.000 0.409 207 D N 0.132 120.397 120.400 -0.225 0.000 2.324 207 D HA -0.002 4.638 4.640 -0.000 0.000 0.235 207 D C 0.815 176.988 176.300 -0.211 0.000 1.095 207 D CA 0.361 54.283 54.000 -0.130 0.000 0.871 207 D CB 0.222 41.106 40.800 0.141 0.000 0.906 207 D HN 0.118 nan 8.370 nan 0.000 0.522 208 S N -0.161 115.307 115.700 -0.386 0.000 2.414 208 S HA -0.107 4.363 4.470 -0.000 0.000 0.227 208 S C 1.122 175.534 174.600 -0.313 0.000 1.022 208 S CA 0.311 58.324 58.200 -0.313 0.000 0.958 208 S CB -0.245 62.710 63.200 -0.409 0.000 0.797 208 S HN 0.353 nan 8.310 nan 0.000 0.493 209 Y N 1.735 121.773 120.300 -0.436 0.000 2.651 209 Y HA 0.112 4.661 4.550 -0.000 0.000 0.293 209 Y C 2.097 177.870 175.900 -0.212 0.000 1.151 209 Y CA 0.344 58.167 58.100 -0.462 0.000 1.362 209 Y CB -0.766 37.212 38.460 -0.803 0.000 0.973 209 Y HN 0.419 nan 8.280 nan 0.000 0.561 210 G N -2.323 106.478 108.800 0.001 0.000 2.901 210 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.194 210 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.194 210 G C -0.241 174.947 174.900 0.480 0.000 1.020 210 G CA -0.152 45.117 45.100 0.281 0.000 0.787 210 G HN 0.386 nan 8.290 nan 0.000 0.477 211 Y N -1.063 119.523 120.300 0.476 0.000 2.871 211 Y HA 0.813 5.362 4.550 -0.000 0.000 0.331 211 Y C -0.847 175.433 175.900 0.633 0.000 1.378 211 Y CA -1.317 57.058 58.100 0.459 0.000 1.079 211 Y CB 0.468 39.160 38.460 0.388 0.000 1.441 211 Y HN 0.436 nan 8.280 nan 0.000 0.446 212 H N 0.698 120.083 119.070 0.525 0.000 2.589 212 H HA 0.672 5.228 4.556 -0.000 0.000 0.351 212 H C -1.823 173.758 175.328 0.422 0.000 1.074 212 H CA -0.874 55.470 56.048 0.493 0.000 1.203 212 H CB 1.310 31.273 29.762 0.336 0.000 1.558 212 H HN 0.695 nan 8.280 nan 0.000 0.522 213 L N 4.775 126.033 121.223 0.058 0.000 2.380 213 L HA 0.061 4.400 4.340 -0.000 0.000 0.273 213 L C 1.382 178.330 176.870 0.130 0.000 1.138 213 L CA 0.389 55.283 54.840 0.091 0.000 0.832 213 L CB 0.726 42.722 42.059 -0.105 0.000 1.124 213 L HN 0.877 nan 8.230 nan 0.000 0.454 214 D N 1.812 122.422 120.400 0.349 0.000 2.120 214 D HA -0.166 4.473 4.640 -0.000 0.000 0.191 214 D C 1.268 177.735 176.300 0.278 0.000 0.994 214 D CA 1.794 56.033 54.000 0.398 0.000 0.838 214 D CB 0.282 41.251 40.800 0.282 0.000 0.976 214 D HN 0.432 nan 8.370 nan 0.000 0.447 215 R N -0.498 120.056 120.500 0.090 0.000 2.690 215 R HA 0.170 4.510 4.340 -0.000 0.000 0.419 215 R C -0.516 175.768 176.300 -0.025 0.000 1.090 215 R CA -0.258 55.876 56.100 0.057 0.000 1.064 215 R CB 0.605 30.886 30.300 -0.032 0.000 1.391 215 R HN 0.073 nan 8.270 nan 0.000 0.586 216 K N 0.068 120.416 120.400 -0.086 0.000 2.453 216 K HA 0.178 4.498 4.320 -0.000 0.000 0.280 216 K C 0.726 177.336 176.600 0.016 0.000 1.045 216 K CA 0.664 56.865 56.287 -0.144 0.000 1.059 216 K CB 0.851 33.246 32.500 -0.176 0.000 0.901 216 K HN 0.355 nan 8.250 nan 0.000 0.475 217 G N 3.031 111.891 108.800 0.099 0.000 3.957 217 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.131 217 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.131 217 G C 0.743 175.735 174.900 0.152 0.000 2.236 217 G CA -0.487 44.689 45.100 0.127 0.000 1.096 217 G HN 0.547 nan 8.290 nan 0.000 0.322 218 E N 0.291 120.556 120.200 0.109 0.000 2.107 218 E HA 0.057 4.407 4.350 -0.000 0.000 0.191 218 E C 2.553 179.219 176.600 0.109 0.000 0.982 218 E CA 0.805 57.285 56.400 0.133 0.000 0.809 218 E CB 0.019 29.760 29.700 0.068 0.000 0.756 218 E HN 0.247 nan 8.360 nan 0.000 0.459 219 L N 0.413 121.645 121.223 0.015 0.000 1.989 219 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 219 L C 2.179 179.109 176.870 0.100 0.000 1.071 219 L CA 1.605 56.451 54.840 0.010 0.000 0.749 219 L CB -0.956 40.968 42.059 -0.226 0.000 0.890 219 L HN 0.118 nan 8.230 nan 0.000 0.431 220 F N -0.630 119.340 119.950 0.033 0.000 2.095 220 F HA -0.337 4.190 4.527 -0.000 0.000 0.298 220 F C 2.482 178.188 175.800 -0.156 0.000 1.104 220 F CA 1.538 59.490 58.000 -0.079 0.000 1.232 220 F CB -0.519 38.488 39.000 0.012 0.000 0.987 220 F HN 0.188 nan 8.300 nan 0.000 0.475 221 F N 0.853 120.728 119.950 -0.125 0.000 2.041 221 F HA -0.378 4.149 4.527 -0.000 0.000 0.296 221 F C 2.317 177.950 175.800 -0.278 0.000 1.147 221 F CA 2.346 59.963 58.000 -0.638 0.000 1.214 221 F CB -1.680 36.925 39.000 -0.658 0.000 0.947 221 F HN 0.332 nan 8.300 nan 0.000 0.511 222 W N 0.999 121.721 121.300 -0.963 0.000 2.317 222 W HA -0.238 4.421 4.660 -0.000 0.000 0.318 222 W C 2.337 178.512 176.519 -0.574 0.000 1.227 222 W CA 2.259 59.081 57.345 -0.870 0.000 1.269 222 W CB -0.554 28.626 29.460 -0.467 0.000 1.155 222 W HN -0.026 nan 8.180 nan 0.000 0.484 223 V N 0.418 120.030 119.914 -0.503 0.000 2.392 223 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 223 V C 1.804 177.432 176.094 -0.777 0.000 1.059 223 V CA 2.404 64.239 62.300 -0.775 0.000 1.051 223 V CB -1.172 29.889 31.823 -1.270 0.000 0.658 223 V HN 0.209 nan 8.190 nan 0.000 0.455 224 H N -1.881 116.775 119.070 -0.690 0.000 2.502 224 H HA -0.034 4.522 4.556 -0.000 0.000 0.283 224 H C 2.208 177.341 175.328 -0.324 0.000 1.015 224 H CA 1.271 57.036 56.048 -0.472 0.000 1.298 224 H CB -0.226 29.256 29.762 -0.468 0.000 1.411 224 H HN 0.542 nan 8.280 nan 0.000 0.556 225 H N 0.622 119.408 119.070 -0.473 0.000 2.423 225 H HA -0.081 4.475 4.556 -0.000 0.000 0.297 225 H C 1.564 176.540 175.328 -0.588 0.000 1.075 225 H CA 1.045 56.777 56.048 -0.528 0.000 1.342 225 H CB 0.461 29.722 29.762 -0.834 0.000 1.395 225 H HN 0.435 nan 8.280 nan 0.000 0.530 226 Q N -0.111 119.186 119.800 -0.839 0.000 2.020 226 Q HA -0.107 4.232 4.340 -0.000 0.000 0.198 226 Q C 2.495 178.252 176.000 -0.404 0.000 0.974 226 Q CA 1.053 56.397 55.803 -0.766 0.000 0.829 226 Q CB 0.242 28.425 28.738 -0.925 0.000 0.894 226 Q HN 0.304 nan 8.270 nan 0.000 0.433 227 L N 0.097 121.156 121.223 -0.275 0.000 2.042 227 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 227 L C 2.369 179.260 176.870 0.033 0.000 1.076 227 L CA 1.877 56.720 54.840 0.006 0.000 0.749 227 L CB -1.256 40.861 42.059 0.097 0.000 0.893 227 L HN 0.218 nan 8.230 nan 0.000 0.432 228 T N -0.634 113.906 114.554 -0.022 0.000 2.881 228 T HA -0.145 4.204 4.350 -0.000 0.000 0.270 228 T C 1.959 176.626 174.700 -0.055 0.000 1.068 228 T CA 1.114 63.260 62.100 0.078 0.000 1.131 228 T CB -0.321 68.615 68.868 0.114 0.000 0.871 228 T HN 0.415 nan 8.240 nan 0.000 0.479 229 A N 2.148 124.808 122.820 -0.265 0.000 1.855 229 A HA -0.022 4.297 4.320 -0.000 0.000 0.213 229 A C 2.386 179.850 177.584 -0.200 0.000 1.195 229 A CA 0.933 52.814 52.037 -0.261 0.000 0.610 229 A CB -0.441 18.306 19.000 -0.421 0.000 0.837 229 A HN 0.407 nan 8.150 nan 0.000 0.444 230 R N -1.569 118.827 120.500 -0.173 0.000 2.096 230 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 230 R C 2.006 178.048 176.300 -0.429 0.000 1.139 230 R CA 1.792 57.815 56.100 -0.129 0.000 0.952 230 R CB -0.703 29.604 30.300 0.011 0.000 0.854 230 R HN 0.554 nan 8.270 nan 0.000 0.436 231 F N 2.354 121.863 119.950 -0.735 0.000 2.075 231 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 231 F C 1.806 177.195 175.800 -0.684 0.000 1.113 231 F CA 1.684 59.010 58.000 -1.125 0.000 1.218 231 F CB -0.320 37.916 39.000 -1.274 0.000 0.984 231 F HN -0.089 nan 8.300 nan 0.000 0.472 232 D N -0.052 120.066 120.400 -0.470 0.000 2.133 232 D HA -0.216 4.424 4.640 -0.000 0.000 0.195 232 D C 2.278 178.266 176.300 -0.519 0.000 0.997 232 D CA 1.362 55.088 54.000 -0.458 0.000 0.840 232 D CB -0.575 40.108 40.800 -0.196 0.000 0.947 232 D HN 0.256 nan 8.370 nan 0.000 0.452 233 F N 1.769 121.442 119.950 -0.461 0.000 2.095 233 F HA -0.149 4.377 4.527 -0.000 0.000 0.298 233 F C 2.381 177.908 175.800 -0.455 0.000 1.104 233 F CA 1.068 58.813 58.000 -0.425 0.000 1.232 233 F CB -0.323 38.439 39.000 -0.397 0.000 0.987 233 F HN -0.057 nan 8.300 nan 0.000 0.475 234 E N 0.365 120.363 120.200 -0.336 0.000 2.118 234 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 234 E C 2.075 178.430 176.600 -0.409 0.000 0.992 234 E CA 1.578 57.769 56.400 -0.347 0.000 0.804 234 E CB -0.580 28.872 29.700 -0.414 0.000 0.741 234 E HN 0.569 nan 8.360 nan 0.000 0.458 235 R N 0.375 120.514 120.500 -0.603 0.000 2.237 235 R HA -0.015 4.325 4.340 -0.000 0.000 0.219 235 R C 2.250 178.333 176.300 -0.362 0.000 1.080 235 R CA 0.521 56.314 56.100 -0.512 0.000 0.995 235 R CB -0.416 29.519 30.300 -0.608 0.000 0.875 235 R HN 0.015 nan 8.270 nan 0.000 0.462 236 L N 1.341 122.367 121.223 -0.328 0.000 2.005 236 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 236 L C 1.867 178.507 176.870 -0.383 0.000 1.072 236 L CA 1.832 56.514 54.840 -0.265 0.000 0.744 236 L CB -0.452 41.523 42.059 -0.141 0.000 0.895 236 L HN 0.138 nan 8.230 nan 0.000 0.433 237 S N -0.075 115.427 115.700 -0.331 0.000 2.493 237 S HA -0.079 4.391 4.470 -0.000 0.000 0.243 237 S C 1.068 175.230 174.600 -0.730 0.000 0.991 237 S CA 0.841 58.748 58.200 -0.488 0.000 0.957 237 S CB -0.538 62.507 63.200 -0.258 0.000 0.756 237 S HN 0.508 nan 8.310 nan 0.000 0.521 238 N N -0.269 118.080 118.700 -0.585 0.000 2.389 238 N HA 0.133 4.872 4.740 -0.000 0.000 0.260 238 N C -0.823 174.416 175.510 -0.452 0.000 1.191 238 N CA -0.131 52.577 53.050 -0.571 0.000 0.885 238 N CB 0.170 38.537 38.487 -0.200 0.000 1.162 238 N HN 0.551 nan 8.380 nan 0.000 0.512 239 W N -0.301 120.986 121.300 -0.021 0.000 3.207 239 W HA -0.247 4.413 4.660 -0.000 0.000 0.291 239 W C -0.221 176.277 176.519 -0.036 0.000 1.105 239 W CA -0.205 57.128 57.345 -0.021 0.000 0.612 239 W CB -2.268 27.189 29.460 -0.005 0.000 2.140 239 W HN 0.072 nan 8.180 nan 0.000 1.420 240 L N 0.679 121.872 121.223 -0.049 0.000 2.400 240 L HA 0.467 4.807 4.340 -0.000 0.000 0.264 240 L C 0.887 177.715 176.870 -0.071 0.000 1.061 240 L CA -0.776 54.036 54.840 -0.045 0.000 0.799 240 L CB 0.517 42.503 42.059 -0.121 0.000 1.240 240 L HN -0.226 nan 8.230 nan 0.000 0.461 241 D N 0.442 120.812 120.400 -0.049 0.000 2.175 241 D HA 0.314 4.953 4.640 -0.000 0.000 0.248 241 D C -2.201 174.061 176.300 -0.063 0.000 1.047 241 D CA -1.162 52.812 54.000 -0.043 0.000 0.883 241 D CB 1.715 42.515 40.800 0.001 0.000 1.180 241 D HN 0.189 nan 8.370 nan 0.000 0.438 242 P HA -0.152 nan 4.420 nan 0.000 0.270 242 P C -0.571 176.742 177.300 0.022 0.000 1.181 242 P CA 0.272 63.366 63.100 -0.009 0.000 0.767 242 P CB 0.548 32.321 31.700 0.122 0.000 0.799 243 V N 0.239 120.187 119.914 0.057 0.000 2.732 243 V HA 0.187 4.307 4.120 -0.000 0.000 0.297 243 V C 0.099 176.238 176.094 0.075 0.000 1.060 243 V CA -0.860 61.494 62.300 0.089 0.000 1.038 243 V CB 0.538 32.471 31.823 0.183 0.000 1.003 243 V HN 0.420 nan 8.190 nan 0.000 0.481 244 D N 1.828 122.256 120.400 0.046 0.000 2.449 244 D HA 0.113 4.753 4.640 -0.000 0.000 0.236 244 D C 0.106 176.389 176.300 -0.028 0.000 1.149 244 D CA 0.033 54.038 54.000 0.008 0.000 0.878 244 D CB 0.528 41.321 40.800 -0.012 0.000 1.198 244 D HN 0.873 nan 8.370 nan 0.000 0.446 245 E N 0.943 121.099 120.200 -0.073 0.000 2.313 245 E HA 0.292 4.642 4.350 -0.000 0.000 0.272 245 E C -0.762 175.642 176.600 -0.326 0.000 1.038 245 E CA -0.881 55.450 56.400 -0.115 0.000 0.863 245 E CB 1.096 30.763 29.700 -0.055 0.000 1.060 245 E HN 0.453 nan 8.360 nan 0.000 0.402 246 L N 3.698 124.684 121.223 -0.395 0.000 2.371 246 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 246 L C -1.163 175.199 176.870 -0.847 0.000 1.124 246 L CA -0.083 54.416 54.840 -0.568 0.000 0.816 246 L CB 0.623 42.337 42.059 -0.575 0.000 1.129 246 L HN 0.613 nan 8.230 nan 0.000 0.448 247 H N 1.735 120.599 119.070 -0.344 0.000 2.771 247 H HA 0.333 4.889 4.556 -0.000 0.000 0.367 247 H C -0.761 174.272 175.328 -0.492 0.000 1.172 247 H CA -0.472 55.359 56.048 -0.362 0.000 1.186 247 H CB 0.716 30.425 29.762 -0.088 0.000 1.790 247 H HN 0.689 nan 8.280 nan 0.000 0.556 248 W N 0.056 121.335 121.300 -0.035 0.000 2.770 248 W HA 0.052 4.712 4.660 -0.000 0.000 0.256 248 W C 0.460 176.965 176.519 -0.023 0.000 1.291 248 W CA 0.429 57.636 57.345 -0.229 0.000 1.396 248 W CB -0.151 29.095 29.460 -0.356 0.000 1.114 248 W HN 0.728 nan 8.180 nan 0.000 0.637 249 D N -0.728 119.802 120.400 0.218 0.000 2.328 249 D HA 0.021 4.660 4.640 -0.000 0.000 0.226 249 D C 0.976 177.404 176.300 0.214 0.000 1.066 249 D CA 0.217 54.333 54.000 0.194 0.000 0.861 249 D CB 0.041 40.918 40.800 0.128 0.000 0.912 249 D HN -0.105 nan 8.370 nan 0.000 0.521 250 R N 0.598 121.233 120.500 0.225 0.000 2.943 250 R HA 0.558 4.898 4.340 -0.000 0.000 0.246 250 R C 0.554 176.939 176.300 0.142 0.000 1.201 250 R CA -1.029 55.195 56.100 0.206 0.000 1.056 250 R CB 0.773 31.189 30.300 0.193 0.000 1.243 250 R HN 0.077 nan 8.270 nan 0.000 0.498 251 I N -0.613 119.953 120.570 -0.006 0.000 2.945 251 I HA 0.305 4.474 4.170 -0.000 0.000 0.292 251 I C 0.485 176.542 176.117 -0.101 0.000 1.093 251 I CA -0.503 60.653 61.300 -0.239 0.000 1.336 251 I CB 0.326 38.137 38.000 -0.315 0.000 1.435 251 I HN 0.258 nan 8.210 nan 0.000 0.593 252 I N 3.241 123.711 120.570 -0.167 0.000 2.281 252 I HA 0.255 4.424 4.170 -0.000 0.000 0.293 252 I C 1.236 177.274 176.117 -0.131 0.000 1.085 252 I CA -0.342 60.864 61.300 -0.157 0.000 1.257 252 I CB 0.524 38.355 38.000 -0.281 0.000 1.430 252 I HN 0.730 nan 8.210 nan 0.000 0.489 253 R N 2.832 123.279 120.500 -0.089 0.000 2.070 253 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 253 R C 0.488 176.759 176.300 -0.049 0.000 1.138 253 R CA 1.353 57.416 56.100 -0.061 0.000 0.936 253 R CB 0.065 30.346 30.300 -0.032 0.000 0.839 253 R HN 0.472 nan 8.270 nan 0.000 0.429 254 E N 0.990 121.163 120.200 -0.045 0.000 1.861 254 E HA 0.170 4.520 4.350 -0.000 0.000 0.263 254 E C -0.707 175.878 176.600 -0.024 0.000 1.137 254 E CA -0.169 56.217 56.400 -0.022 0.000 0.944 254 E CB 0.520 30.215 29.700 -0.009 0.000 1.092 254 E HN 0.302 nan 8.360 nan 0.000 0.420 255 G N 2.393 111.193 108.800 -0.001 0.000 2.477 255 G HA2 0.520 4.480 3.960 -0.000 0.000 0.304 255 G HA3 0.520 4.480 3.960 -0.000 0.000 0.304 255 G C -0.887 174.115 174.900 0.170 0.000 1.175 255 G CA -0.513 44.610 45.100 0.039 0.000 0.907 255 G HN 0.356 nan 8.290 nan 0.000 0.509 256 F N -0.657 119.277 119.950 -0.025 0.000 2.650 256 F HA 0.881 5.408 4.527 -0.000 0.000 0.320 256 F C -0.606 175.188 175.800 -0.010 0.000 1.091 256 F CA -3.096 54.897 58.000 -0.011 0.000 0.962 256 F CB 1.538 40.535 39.000 -0.005 0.000 1.363 256 F HN 0.772 nan 8.300 nan 0.000 0.482 257 A N 2.642 125.254 122.820 -0.346 0.000 2.330 257 A HA 0.719 5.039 4.320 -0.000 0.000 0.313 257 A C -2.489 174.528 177.584 -0.946 0.000 1.124 257 A CA -1.485 50.278 52.037 -0.458 0.000 0.774 257 A CB 1.214 20.088 19.000 -0.209 0.000 1.198 257 A HN 0.643 nan 8.150 nan 0.000 0.465 258 P HA 0.069 nan 4.420 nan 0.000 0.239 258 P C 0.340 177.434 177.300 -0.342 0.000 1.188 258 P CA 0.152 62.734 63.100 -0.862 0.000 0.794 258 P CB 0.099 31.462 31.700 -0.561 0.000 0.937 259 L N -0.621 120.478 121.223 -0.207 0.000 4.137 259 L HA -0.155 4.185 4.340 -0.000 0.000 0.421 259 L C 0.066 176.932 176.870 -0.008 0.000 1.162 259 L CA 1.049 55.842 54.840 -0.078 0.000 0.978 259 L CB -3.398 38.607 42.059 -0.090 0.000 1.957 259 L HN 0.077 nan 8.230 nan 0.000 0.978 260 T N -0.763 113.824 114.554 0.055 0.000 2.925 260 T HA 0.724 5.073 4.350 -0.000 0.000 0.285 260 T C 0.430 175.364 174.700 0.390 0.000 1.021 260 T CA -0.202 61.995 62.100 0.161 0.000 1.042 260 T CB 2.049 70.909 68.868 -0.013 0.000 1.037 260 T HN 0.175 nan 8.240 nan 0.000 0.481 261 S N 0.498 116.407 115.700 0.347 0.000 2.570 261 S HA 0.589 5.058 4.470 -0.000 0.000 0.286 261 S C -1.196 173.526 174.600 0.203 0.000 1.099 261 S CA -0.702 57.647 58.200 0.249 0.000 0.913 261 S CB 0.962 64.260 63.200 0.162 0.000 1.085 261 S HN 0.565 nan 8.310 nan 0.000 0.480 262 Y N 1.683 121.875 120.300 -0.180 0.000 2.260 262 Y HA 0.250 4.800 4.550 -0.000 0.000 0.339 262 Y C 1.831 177.573 175.900 -0.265 0.000 1.317 262 Y CA 0.210 58.197 58.100 -0.187 0.000 1.514 262 Y CB 0.541 38.806 38.460 -0.326 0.000 1.382 262 Y HN 0.562 nan 8.280 nan 0.000 0.581 263 K N 0.337 120.585 120.400 -0.253 0.000 2.029 263 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 263 K C -0.740 175.507 176.600 -0.589 0.000 1.042 263 K CA 1.139 56.891 56.287 -0.891 0.000 0.949 263 K CB -0.149 31.576 32.500 -1.292 0.000 0.740 263 K HN 0.542 nan 8.250 nan 0.000 0.442 264 Y N -0.828 119.433 120.300 -0.066 0.000 2.341 264 Y HA 0.404 4.954 4.550 -0.000 0.000 0.337 264 Y C 1.091 177.015 175.900 0.039 0.000 1.014 264 Y CA -0.031 58.063 58.100 -0.010 0.000 1.111 264 Y CB 1.878 40.353 38.460 0.025 0.000 1.194 264 Y HN 0.481 nan 8.280 nan 0.000 0.462 265 G N 0.465 109.329 108.800 0.106 0.000 3.435 265 G HA2 0.324 4.284 3.960 -0.000 0.000 0.197 265 G HA3 0.324 4.284 3.960 -0.000 0.000 0.197 265 G C 0.210 175.013 174.900 -0.160 0.000 1.497 265 G CA 0.010 45.066 45.100 -0.073 0.000 1.043 265 G HN 1.667 nan 8.290 nan 0.000 0.466 266 G N -0.443 108.309 108.800 -0.080 0.000 2.354 266 G HA2 0.374 4.334 3.960 -0.000 0.000 0.582 266 G HA3 0.374 4.334 3.960 -0.000 0.000 0.582 266 G C -0.956 173.911 174.900 -0.056 0.000 1.316 266 G CA 0.137 45.197 45.100 -0.066 0.000 0.995 266 G HN 0.639 nan 8.290 nan 0.000 0.573 267 E N -0.683 119.503 120.200 -0.023 0.000 2.373 267 E HA 0.421 4.771 4.350 -0.000 0.000 0.263 267 E C -0.109 176.500 176.600 0.016 0.000 1.073 267 E CA -0.390 56.022 56.400 0.020 0.000 0.894 267 E CB 0.699 30.426 29.700 0.045 0.000 1.008 267 E HN 0.279 nan 8.360 nan 0.000 0.420 268 F N 3.473 123.502 119.950 0.132 0.000 2.623 268 F HA -0.006 4.521 4.527 -0.000 0.000 0.383 268 F C -1.339 174.490 175.800 0.048 0.000 1.077 268 F CA -0.958 57.121 58.000 0.132 0.000 1.268 268 F CB -0.176 38.877 39.000 0.087 0.000 1.053 268 F HN 0.221 nan 8.300 nan 0.000 0.571 269 P HA 0.104 nan 4.420 nan 0.000 0.271 269 P C -0.448 176.912 177.300 0.100 0.000 1.233 269 P CA -0.122 63.030 63.100 0.087 0.000 0.789 269 P CB 1.525 33.260 31.700 0.058 0.000 0.951 270 V N 1.122 121.064 119.914 0.045 0.000 3.234 270 V HA 0.672 4.791 4.120 -0.000 0.000 0.317 270 V C -0.557 175.574 176.094 0.062 0.000 1.147 270 V CA -1.122 61.204 62.300 0.044 0.000 1.037 270 V CB 1.900 33.713 31.823 -0.017 0.000 1.148 270 V HN 0.630 nan 8.190 nan 0.000 0.455 271 R N 1.939 122.490 120.500 0.084 0.000 2.514 271 R HA 0.500 4.840 4.340 -0.000 0.000 0.296 271 R C -2.411 173.908 176.300 0.031 0.000 1.012 271 R CA -1.291 54.836 56.100 0.044 0.000 0.897 271 R CB 2.268 32.590 30.300 0.037 0.000 1.184 271 R HN 0.571 nan 8.270 nan 0.000 0.440 272 P HA -0.086 nan 4.420 nan 0.000 0.225 272 P C -1.195 176.101 177.300 -0.006 0.000 1.148 272 P CA 1.194 64.293 63.100 -0.002 0.000 0.779 272 P CB 0.149 31.844 31.700 -0.008 0.000 0.780 273 D N -0.957 119.429 120.400 -0.023 0.000 8.719 273 D HA -0.151 4.488 4.640 -0.000 0.000 0.263 273 D C -0.577 175.698 176.300 -0.043 0.000 2.428 273 D CA 0.298 54.283 54.000 -0.026 0.000 2.301 273 D CB -1.499 39.303 40.800 0.003 0.000 0.911 273 D HN 0.111 nan 8.370 nan 0.000 0.614 274 N N 0.803 119.462 118.700 -0.067 0.000 2.754 274 N HA -0.240 4.499 4.740 -0.000 0.000 0.248 274 N C 0.183 175.604 175.510 -0.149 0.000 1.093 274 N CA 1.105 54.099 53.050 -0.093 0.000 0.699 274 N CB -1.332 37.125 38.487 -0.050 0.000 1.016 274 N HN 0.630 nan 8.380 nan 0.000 0.552 275 I N 0.244 120.713 120.570 -0.169 0.000 2.764 275 I HA 0.060 4.229 4.170 -0.000 0.000 0.294 275 I C 0.813 176.735 176.117 -0.325 0.000 1.045 275 I CA -0.216 60.981 61.300 -0.172 0.000 1.340 275 I CB 0.638 38.546 38.000 -0.153 0.000 1.436 275 I HN 0.073 nan 8.210 nan 0.000 0.567 276 H N 4.205 123.281 119.070 0.009 0.000 2.467 276 H HA 0.277 4.833 4.556 -0.000 0.000 0.326 276 H C -0.903 174.483 175.328 0.097 0.000 1.094 276 H CA -0.305 55.790 56.048 0.078 0.000 1.253 276 H CB 0.978 30.800 29.762 0.101 0.000 1.439 276 H HN 0.294 nan 8.280 nan 0.000 0.479 277 F N 2.689 122.758 119.950 0.198 0.000 2.571 277 F HA -0.025 4.502 4.527 -0.000 0.000 0.390 277 F C 0.990 176.889 175.800 0.167 0.000 1.043 277 F CA 0.722 58.820 58.000 0.164 0.000 1.164 277 F CB 0.147 39.277 39.000 0.217 0.000 1.049 277 F HN 0.479 nan 8.300 nan 0.000 0.552 278 E N 2.198 122.571 120.200 0.288 0.000 2.222 278 E HA 0.079 4.428 4.350 -0.000 0.000 0.272 278 E C -0.933 175.824 176.600 0.262 0.000 0.982 278 E CA -1.007 55.554 56.400 0.268 0.000 0.842 278 E CB 1.199 31.021 29.700 0.204 0.000 1.144 278 E HN 0.381 nan 8.360 nan 0.000 0.397 279 D N 1.418 121.971 120.400 0.255 0.000 2.434 279 D HA 0.022 4.661 4.640 -0.000 0.000 0.252 279 D C -1.056 175.353 176.300 0.181 0.000 1.185 279 D CA 0.218 54.336 54.000 0.196 0.000 0.886 279 D CB 0.687 41.626 40.800 0.232 0.000 1.148 279 D HN 0.046 nan 8.370 nan 0.000 0.483 280 V N 4.066 124.025 119.914 0.076 0.000 2.347 280 V HA 0.277 4.396 4.120 -0.000 0.000 0.280 280 V C -0.817 175.271 176.094 -0.009 0.000 1.021 280 V CA -0.925 61.399 62.300 0.040 0.000 0.847 280 V CB 1.244 33.074 31.823 0.011 0.000 0.990 280 V HN 0.408 nan 8.190 nan 0.000 0.444 281 D N 5.189 125.623 120.400 0.056 0.000 2.458 281 D HA 0.409 5.049 4.640 -0.000 0.000 0.243 281 D C 1.234 177.523 176.300 -0.019 0.000 1.146 281 D CA 1.188 55.192 54.000 0.008 0.000 0.877 281 D CB 1.223 42.057 40.800 0.058 0.000 1.176 281 D HN 1.195 nan 8.370 nan 0.000 0.461 282 G N 0.543 109.315 108.800 -0.047 0.000 2.358 282 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.224 282 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.224 282 G C 0.939 175.822 174.900 -0.028 0.000 1.073 282 G CA 0.273 45.358 45.100 -0.025 0.000 0.635 282 G HN 0.451 nan 8.290 nan 0.000 0.509 283 V N 0.351 120.240 119.914 -0.042 0.000 2.398 283 V HA 0.730 4.849 4.120 -0.000 0.000 0.236 283 V C 1.188 177.243 176.094 -0.066 0.000 1.054 283 V CA 2.129 64.408 62.300 -0.036 0.000 1.060 283 V CB -0.034 31.773 31.823 -0.026 0.000 0.707 283 V HN 2.124 nan 8.190 nan 0.000 0.480 284 A N -2.071 120.686 122.820 -0.105 0.000 2.574 284 A HA 0.481 4.800 4.320 -0.000 0.000 0.298 284 A C -1.056 176.445 177.584 -0.139 0.000 0.987 284 A CA -0.722 51.240 52.037 -0.125 0.000 0.678 284 A CB 0.122 19.077 19.000 -0.075 0.000 1.296 284 A HN 0.346 nan 8.150 nan 0.000 0.420 285 H N 0.365 119.411 119.070 -0.041 0.000 2.852 285 H HA 0.192 4.748 4.556 -0.000 0.000 0.362 285 H C 1.563 176.849 175.328 -0.071 0.000 1.122 285 H CA 1.187 57.221 56.048 -0.023 0.000 1.419 285 H CB 1.396 31.157 29.762 -0.003 0.000 1.401 285 H HN 0.367 nan 8.280 nan 0.000 0.609 286 V N 2.481 122.480 119.914 0.141 0.000 2.719 286 V HA -0.197 3.923 4.120 -0.000 0.000 0.252 286 V C 2.038 178.041 176.094 -0.153 0.000 1.065 286 V CA 1.644 63.901 62.300 -0.072 0.000 1.086 286 V CB -0.664 31.184 31.823 0.041 0.000 0.700 286 V HN 0.726 nan 8.190 nan 0.000 0.467 287 H N 0.357 119.360 119.070 -0.111 0.000 2.524 287 H HA -0.073 4.483 4.556 -0.000 0.000 0.282 287 H C 1.820 177.048 175.328 -0.167 0.000 1.016 287 H CA 1.073 57.038 56.048 -0.138 0.000 1.270 287 H CB -0.119 29.580 29.762 -0.105 0.000 1.394 287 H HN 0.327 nan 8.280 nan 0.000 0.568 288 D N -0.474 119.847 120.400 -0.130 0.000 2.263 288 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 288 D C 1.934 178.049 176.300 -0.308 0.000 0.971 288 D CA 0.714 54.611 54.000 -0.172 0.000 0.867 288 D CB 0.102 40.888 40.800 -0.023 0.000 0.929 288 D HN 0.436 nan 8.370 nan 0.000 0.492 289 L N 0.013 120.942 121.223 -0.490 0.000 2.116 289 L HA 0.014 4.354 4.340 -0.000 0.000 0.200 289 L C 2.292 178.864 176.870 -0.497 0.000 1.084 289 L CA 0.513 54.956 54.840 -0.663 0.000 0.766 289 L CB -0.465 40.762 42.059 -1.387 0.000 0.930 289 L HN -0.114 nan 8.230 nan 0.000 0.453 290 E N 0.847 120.727 120.200 -0.534 0.000 2.095 290 E HA -0.295 4.054 4.350 -0.000 0.000 0.212 290 E C 2.122 178.568 176.600 -0.257 0.000 1.044 290 E CA 2.361 58.604 56.400 -0.262 0.000 0.857 290 E CB -0.318 29.228 29.700 -0.257 0.000 0.764 290 E HN 0.554 nan 8.360 nan 0.000 0.462 291 I N -0.962 119.377 120.570 -0.385 0.000 2.179 291 I HA -0.202 3.967 4.170 -0.000 0.000 0.242 291 I C 2.355 178.372 176.117 -0.166 0.000 1.088 291 I CA 1.391 62.542 61.300 -0.248 0.000 1.357 291 I CB -1.232 36.635 38.000 -0.221 0.000 1.051 291 I HN -0.007 nan 8.210 nan 0.000 0.409 292 T N 1.258 115.705 114.554 -0.178 0.000 2.597 292 T HA -0.301 4.048 4.350 -0.000 0.000 0.267 292 T C 1.829 176.484 174.700 -0.075 0.000 1.053 292 T CA 2.521 64.545 62.100 -0.127 0.000 1.165 292 T CB -0.459 68.339 68.868 -0.117 0.000 0.863 292 T HN 0.593 nan 8.240 nan 0.000 0.427 293 E N 0.314 120.498 120.200 -0.027 0.000 2.233 293 E HA -0.175 4.174 4.350 -0.000 0.000 0.199 293 E C 1.971 178.611 176.600 0.067 0.000 1.004 293 E CA 1.619 58.049 56.400 0.051 0.000 0.819 293 E CB -0.059 29.769 29.700 0.212 0.000 0.738 293 E HN 0.540 nan 8.360 nan 0.000 0.478 294 S N 0.083 115.801 115.700 0.030 0.000 2.421 294 S HA 0.041 4.511 4.470 -0.000 0.000 0.224 294 S C 1.834 176.457 174.600 0.038 0.000 1.035 294 S CA 0.466 58.700 58.200 0.057 0.000 0.953 294 S CB -0.099 63.111 63.200 0.016 0.000 0.810 294 S HN 0.187 nan 8.310 nan 0.000 0.497 295 R N 1.116 121.592 120.500 -0.041 0.000 2.105 295 R HA 0.018 4.358 4.340 -0.000 0.000 0.239 295 R C 1.957 178.291 176.300 0.057 0.000 1.135 295 R CA 1.177 57.240 56.100 -0.060 0.000 0.967 295 R CB -0.558 29.477 30.300 -0.442 0.000 0.861 295 R HN 0.310 nan 8.270 nan 0.000 0.442 296 I N 0.058 120.600 120.570 -0.047 0.000 2.099 296 I HA -0.292 3.877 4.170 -0.000 0.000 0.239 296 I C 2.100 178.096 176.117 -0.202 0.000 1.066 296 I CA 1.668 62.840 61.300 -0.214 0.000 1.324 296 I CB -1.334 36.484 38.000 -0.303 0.000 1.037 296 I HN 0.282 nan 8.210 nan 0.000 0.401 297 H N 0.468 119.451 119.070 -0.146 0.000 2.568 297 H HA -0.094 4.462 4.556 -0.000 0.000 0.281 297 H C 1.844 177.127 175.328 -0.076 0.000 1.028 297 H CA 0.914 56.886 56.048 -0.127 0.000 1.199 297 H CB 0.161 29.868 29.762 -0.092 0.000 1.352 297 H HN 0.506 nan 8.280 nan 0.000 0.605 298 E N -0.875 119.385 120.200 0.101 0.000 2.460 298 E HA 0.119 4.469 4.350 -0.000 0.000 0.200 298 E C 1.938 178.584 176.600 0.075 0.000 1.011 298 E CA 0.356 56.832 56.400 0.126 0.000 0.912 298 E CB 0.404 30.194 29.700 0.150 0.000 0.953 298 E HN 0.354 nan 8.360 nan 0.000 0.494 299 A N 0.916 123.724 122.820 -0.021 0.000 1.861 299 A HA -0.027 4.292 4.320 -0.000 0.000 0.212 299 A C 1.995 179.538 177.584 -0.069 0.000 1.199 299 A CA 0.592 52.581 52.037 -0.080 0.000 0.613 299 A CB -0.460 18.469 19.000 -0.119 0.000 0.846 299 A HN 0.241 nan 8.150 nan 0.000 0.446 300 I N 0.446 120.962 120.570 -0.090 0.000 2.145 300 I HA -0.307 3.863 4.170 -0.000 0.000 0.244 300 I C 1.656 177.769 176.117 -0.007 0.000 1.075 300 I CA 1.760 63.036 61.300 -0.039 0.000 1.332 300 I CB -0.557 37.390 38.000 -0.087 0.000 1.033 300 I HN 0.221 nan 8.210 nan 0.000 0.410 301 D N -0.574 119.831 120.400 0.007 0.000 2.219 301 D HA -0.133 4.507 4.640 -0.000 0.000 0.205 301 D C 2.103 178.356 176.300 -0.079 0.000 0.970 301 D CA 1.081 55.064 54.000 -0.029 0.000 0.851 301 D CB -0.244 40.535 40.800 -0.034 0.000 0.943 301 D HN 0.490 nan 8.370 nan 0.000 0.488 302 H N -0.784 118.154 119.070 -0.220 0.000 2.343 302 H HA 0.059 4.615 4.556 -0.000 0.000 0.303 302 H C 1.585 176.697 175.328 -0.360 0.000 1.068 302 H CA 1.443 57.244 56.048 -0.412 0.000 1.359 302 H CB 0.742 29.886 29.762 -1.030 0.000 1.402 302 H HN 0.313 nan 8.280 nan 0.000 0.515 303 G N -0.383 108.352 108.800 -0.109 0.000 2.336 303 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.194 303 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.194 303 G C -0.423 174.564 174.900 0.143 0.000 0.999 303 G CA 0.144 45.277 45.100 0.055 0.000 0.669 303 G HN 0.471 nan 8.290 nan 0.000 0.482 304 Y N -0.343 120.052 120.300 0.158 0.000 2.576 304 Y HA 0.857 5.406 4.550 -0.000 0.000 0.346 304 Y C -0.304 175.639 175.900 0.072 0.000 1.018 304 Y CA -2.773 55.389 58.100 0.104 0.000 1.050 304 Y CB 0.919 39.440 38.460 0.102 0.000 1.280 304 Y HN 0.100 nan 8.280 nan 0.000 0.474 305 I N 1.916 122.664 120.570 0.297 0.000 2.488 305 I HA 0.426 4.596 4.170 -0.000 0.000 0.299 305 I C -0.042 176.293 176.117 0.364 0.000 0.984 305 I CA -0.572 60.870 61.300 0.237 0.000 1.250 305 I CB 2.013 40.085 38.000 0.120 0.000 1.389 305 I HN 0.886 nan 8.210 nan 0.000 0.488 306 T N 2.447 117.268 114.554 0.445 0.000 2.779 306 T HA 0.422 4.772 4.350 -0.000 0.000 0.280 306 T C -0.447 174.384 174.700 0.218 0.000 0.987 306 T CA -0.915 61.344 62.100 0.265 0.000 0.966 306 T CB 0.955 69.959 68.868 0.226 0.000 0.933 306 T HN 0.599 nan 8.240 nan 0.000 0.442 307 D N 3.064 123.548 120.400 0.141 0.000 2.469 307 D HA 0.293 4.933 4.640 -0.000 0.000 0.278 307 D C 1.425 177.711 176.300 -0.024 0.000 1.231 307 D CA -0.598 53.460 54.000 0.097 0.000 1.075 307 D CB -0.203 40.654 40.800 0.094 0.000 1.121 307 D HN 0.384 nan 8.370 nan 0.000 0.571 308 S N -0.907 114.762 115.700 -0.050 0.000 2.419 308 S HA -0.131 4.339 4.470 -0.000 0.000 0.235 308 S C 0.975 175.469 174.600 -0.175 0.000 1.019 308 S CA 1.256 59.397 58.200 -0.098 0.000 0.982 308 S CB -0.369 62.794 63.200 -0.061 0.000 0.789 308 S HN 0.465 nan 8.310 nan 0.000 0.490 309 D N -0.037 120.195 120.400 -0.279 0.000 2.327 309 D HA 0.204 4.844 4.640 -0.000 0.000 0.205 309 D C 1.432 177.477 176.300 -0.425 0.000 0.989 309 D CA 0.894 54.619 54.000 -0.458 0.000 0.873 309 D CB 0.211 40.452 40.800 -0.932 0.000 0.955 309 D HN 0.506 nan 8.370 nan 0.000 0.515 310 G N 1.039 109.648 108.800 -0.318 0.000 2.141 310 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.164 310 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.164 310 G C -0.244 174.630 174.900 -0.045 0.000 1.009 310 G CA -0.576 44.425 45.100 -0.164 0.000 0.677 310 G HN 0.419 nan 8.290 nan 0.000 0.508 311 H N 1.471 120.519 119.070 -0.038 0.000 2.646 311 H HA 0.448 5.003 4.556 -0.000 0.000 0.325 311 H C 0.834 176.126 175.328 -0.060 0.000 1.075 311 H CA 0.403 56.425 56.048 -0.044 0.000 1.421 311 H CB 0.932 30.685 29.762 -0.015 0.000 1.461 311 H HN 0.301 nan 8.280 nan 0.000 0.525 312 T N 1.807 116.360 114.554 -0.001 0.000 2.771 312 T HA 0.358 4.708 4.350 -0.000 0.000 0.291 312 T C 0.083 174.785 174.700 0.004 0.000 0.954 312 T CA -1.025 61.005 62.100 -0.118 0.000 1.045 312 T CB 0.475 68.960 68.868 -0.638 0.000 0.917 312 T HN 0.430 nan 8.240 nan 0.000 0.484 313 I N 0.911 121.542 120.570 0.101 0.000 2.330 313 I HA 0.461 4.630 4.170 -0.000 0.000 0.289 313 I C -0.214 175.999 176.117 0.161 0.000 1.001 313 I CA -0.738 60.629 61.300 0.113 0.000 1.193 313 I CB 1.110 39.182 38.000 0.121 0.000 1.345 313 I HN 0.679 nan 8.210 nan 0.000 0.461 314 D N 6.562 127.047 120.400 0.142 0.000 2.372 314 D HA 0.151 4.791 4.640 -0.000 0.000 0.243 314 D C 0.510 176.912 176.300 0.170 0.000 1.121 314 D CA 0.005 54.115 54.000 0.183 0.000 0.898 314 D CB 1.244 42.128 40.800 0.141 0.000 1.202 314 D HN 0.827 nan 8.370 nan 0.000 0.428 315 I N 0.122 120.814 120.570 0.203 0.000 3.994 315 I HA 0.305 4.475 4.170 -0.000 0.000 0.323 315 I C 0.377 176.702 176.117 0.346 0.000 1.501 315 I CA -0.618 60.813 61.300 0.219 0.000 1.112 315 I CB 0.335 38.432 38.000 0.162 0.000 1.254 315 I HN 0.011 nan 8.210 nan 0.000 0.495 316 R N 3.347 124.018 120.500 0.285 0.000 4.518 316 R HA 0.342 4.682 4.340 -0.000 0.000 0.243 316 R C -0.467 175.920 176.300 0.145 0.000 1.720 316 R CA 0.097 56.402 56.100 0.342 0.000 1.526 316 R CB -0.280 30.164 30.300 0.240 0.000 1.425 316 R HN 0.769 nan 8.270 nan 0.000 0.787 317 Q N -1.743 118.147 119.800 0.151 0.000 2.782 317 Q HA 0.355 4.695 4.340 -0.000 0.000 0.308 317 Q C -2.477 173.581 176.000 0.097 0.000 0.883 317 Q CA -1.441 54.358 55.803 -0.007 0.000 0.755 317 Q CB 1.434 30.192 28.738 0.033 0.000 1.454 317 Q HN -0.084 nan 8.270 nan 0.000 0.452 318 P HA -0.194 nan 4.420 nan 0.000 0.218 318 P C 0.503 177.889 177.300 0.144 0.000 1.149 318 P CA 1.069 64.232 63.100 0.106 0.000 0.817 318 P CB 0.298 32.035 31.700 0.061 0.000 0.785 319 K N 0.087 120.565 120.400 0.130 0.000 2.486 319 K HA 0.053 4.373 4.320 -0.000 0.000 0.194 319 K C 2.155 178.843 176.600 0.146 0.000 1.033 319 K CA 0.588 56.953 56.287 0.130 0.000 1.004 319 K CB -1.159 31.409 32.500 0.113 0.000 0.798 319 K HN 0.117 nan 8.250 nan 0.000 0.495 320 G N 2.114 111.030 108.800 0.194 0.000 2.875 320 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.220 320 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.220 320 G C 1.434 176.380 174.900 0.076 0.000 1.293 320 G CA 1.106 46.343 45.100 0.230 0.000 0.789 320 G HN 0.414 nan 8.290 nan 0.000 0.677 321 I N 1.849 122.489 120.570 0.116 0.000 2.597 321 I HA -0.236 3.933 4.170 -0.000 0.000 0.262 321 I C 2.819 178.970 176.117 0.057 0.000 1.194 321 I CA 2.302 63.600 61.300 -0.003 0.000 1.437 321 I CB -0.168 37.840 38.000 0.013 0.000 1.096 321 I HN 0.689 nan 8.210 nan 0.000 0.451 322 E N 0.457 120.714 120.200 0.095 0.000 2.057 322 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 322 E C 2.079 178.746 176.600 0.111 0.000 0.969 322 E CA 0.506 56.979 56.400 0.122 0.000 0.812 322 E CB -0.784 29.000 29.700 0.140 0.000 0.777 322 E HN 0.382 nan 8.360 nan 0.000 0.455 323 L N 1.002 122.282 121.223 0.095 0.000 2.189 323 L HA -0.172 4.167 4.340 -0.000 0.000 0.214 323 L C 2.553 179.431 176.870 0.014 0.000 1.097 323 L CA 1.028 55.912 54.840 0.074 0.000 0.764 323 L CB -0.687 41.414 42.059 0.069 0.000 0.900 323 L HN 0.154 nan 8.230 nan 0.000 0.436 324 L N -0.174 121.032 121.223 -0.028 0.000 2.141 324 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 324 L C 2.510 179.419 176.870 0.065 0.000 1.094 324 L CA 1.156 55.947 54.840 -0.081 0.000 0.763 324 L CB -0.744 41.202 42.059 -0.188 0.000 0.908 324 L HN 0.395 nan 8.230 nan 0.000 0.437 325 G N -1.203 107.727 108.800 0.217 0.000 2.572 325 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.216 325 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.216 325 G C 1.003 175.902 174.900 -0.001 0.000 1.133 325 G CA 0.242 45.486 45.100 0.241 0.000 0.791 325 G HN 0.283 nan 8.290 nan 0.000 0.538 326 D N 0.636 121.057 120.400 0.035 0.000 2.194 326 D HA -0.062 4.578 4.640 -0.000 0.000 0.204 326 D C 2.604 178.903 176.300 -0.002 0.000 0.964 326 D CA 0.693 54.714 54.000 0.034 0.000 0.846 326 D CB -0.020 40.862 40.800 0.137 0.000 0.962 326 D HN 0.584 nan 8.370 nan 0.000 0.490 327 I N -1.999 118.549 120.570 -0.036 0.000 2.480 327 I HA -0.027 4.143 4.170 -0.000 0.000 0.251 327 I C 2.054 178.106 176.117 -0.109 0.000 1.124 327 I CA 0.685 61.946 61.300 -0.066 0.000 1.444 327 I CB -0.185 37.707 38.000 -0.180 0.000 1.098 327 I HN -0.188 nan 8.210 nan 0.000 0.428 328 I N 1.946 122.417 120.570 -0.166 0.000 2.333 328 I HA -0.181 3.989 4.170 -0.000 0.000 0.246 328 I C 2.743 178.763 176.117 -0.161 0.000 1.106 328 I CA 1.810 63.002 61.300 -0.180 0.000 1.411 328 I CB -0.518 37.304 38.000 -0.297 0.000 1.082 328 I HN 0.428 nan 8.210 nan 0.000 0.420 329 E N 1.964 121.939 120.200 -0.376 0.000 2.158 329 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 329 E C 0.588 177.134 176.600 -0.090 0.000 0.982 329 E CA 0.934 57.059 56.400 -0.457 0.000 0.823 329 E CB 0.157 29.123 29.700 -1.223 0.000 0.766 329 E HN 0.375 nan 8.360 nan 0.000 0.468 330 S N -0.133 115.506 115.700 -0.102 0.000 3.131 330 S HA -0.134 4.336 4.470 -0.000 0.000 0.767 330 S C -0.258 174.370 174.600 0.047 0.000 0.744 330 S CA 0.173 58.364 58.200 -0.016 0.000 1.466 330 S CB -2.028 61.190 63.200 0.029 0.000 1.035 330 S HN 0.790 nan 8.310 nan 0.000 0.730 331 S N 3.278 119.016 115.700 0.064 0.000 2.801 331 S HA 0.720 5.190 4.470 -0.000 0.000 0.312 331 S C 0.574 175.281 174.600 0.179 0.000 1.112 331 S CA -0.865 57.421 58.200 0.144 0.000 0.943 331 S CB 1.064 64.283 63.200 0.032 0.000 1.269 331 S HN 0.730 nan 8.310 nan 0.000 0.558 332 K N -0.171 120.361 120.400 0.221 0.000 2.476 332 K HA 0.098 4.418 4.320 -0.000 0.000 0.196 332 K C -0.001 176.847 176.600 0.415 0.000 1.025 332 K CA 0.292 56.753 56.287 0.291 0.000 1.138 332 K CB -0.350 32.322 32.500 0.288 0.000 0.860 332 K HN 0.560 nan 8.250 nan 0.000 0.515 333 Y N 1.228 121.598 120.300 0.117 0.000 2.490 333 Y HA 0.125 4.675 4.550 -0.000 0.000 0.281 333 Y C 1.102 177.063 175.900 0.102 0.000 1.174 333 Y CA -1.012 57.156 58.100 0.112 0.000 1.295 333 Y CB -0.168 38.358 38.460 0.111 0.000 1.062 333 Y HN -0.137 nan 8.280 nan 0.000 0.522 334 S N 0.143 115.982 115.700 0.231 0.000 2.558 334 S HA -0.031 4.439 4.470 -0.000 0.000 0.291 334 S C 1.424 176.123 174.600 0.166 0.000 1.306 334 S CA 0.445 58.749 58.200 0.173 0.000 1.056 334 S CB 0.597 63.892 63.200 0.159 0.000 0.836 334 S HN 0.467 nan 8.310 nan 0.000 0.504 335 S N 2.699 118.502 115.700 0.170 0.000 2.404 335 S HA 0.069 4.538 4.470 -0.000 0.000 0.223 335 S C 0.814 175.513 174.600 0.165 0.000 1.040 335 S CA 0.003 58.299 58.200 0.159 0.000 0.957 335 S CB -0.108 63.192 63.200 0.168 0.000 0.826 335 S HN 0.719 nan 8.310 nan 0.000 0.491 336 N N 1.490 120.326 118.700 0.227 0.000 2.841 336 N HA 0.204 4.944 4.740 -0.000 0.000 0.257 336 N C 0.146 175.749 175.510 0.155 0.000 1.396 336 N CA -0.160 52.987 53.050 0.162 0.000 0.823 336 N CB 1.258 39.831 38.487 0.143 0.000 1.162 336 N HN 0.085 nan 8.380 nan 0.000 0.503 337 V N 2.167 122.158 119.914 0.129 0.000 3.141 337 V HA -0.066 4.053 4.120 -0.000 0.000 0.265 337 V C 1.831 177.972 176.094 0.079 0.000 1.126 337 V CA 1.652 64.022 62.300 0.116 0.000 1.141 337 V CB -0.274 31.611 31.823 0.104 0.000 0.743 337 V HN 0.651 nan 8.190 nan 0.000 0.492 338 Q N -1.703 118.135 119.800 0.063 0.000 2.435 338 Q HA -0.143 4.197 4.340 -0.000 0.000 0.207 338 Q C 1.747 177.788 176.000 0.069 0.000 0.956 338 Q CA 1.340 57.171 55.803 0.047 0.000 0.917 338 Q CB 0.033 28.786 28.738 0.025 0.000 0.997 338 Q HN 0.834 nan 8.270 nan 0.000 0.497 339 Y N -0.817 119.393 120.300 -0.151 0.000 2.472 339 Y HA 0.035 4.585 4.550 -0.000 0.000 0.288 339 Y C 0.750 176.491 175.900 -0.265 0.000 1.154 339 Y CA 0.513 58.442 58.100 -0.285 0.000 1.238 339 Y CB -0.175 38.001 38.460 -0.475 0.000 1.287 339 Y HN 0.018 nan 8.280 nan 0.000 0.524 340 Y N 1.311 121.528 120.300 -0.138 0.000 2.578 340 Y HA 0.272 4.822 4.550 -0.000 0.000 0.297 340 Y C 1.950 177.777 175.900 -0.122 0.000 1.176 340 Y CA 0.153 58.120 58.100 -0.222 0.000 1.315 340 Y CB -0.803 37.568 38.460 -0.149 0.000 1.031 340 Y HN 0.314 nan 8.280 nan 0.000 0.524 341 G N 0.236 109.059 108.800 0.039 0.000 2.661 341 G HA2 -0.355 3.604 3.960 -0.000 0.000 0.327 341 G HA3 -0.355 3.604 3.960 -0.000 0.000 0.327 341 G C 0.418 175.342 174.900 0.040 0.000 1.320 341 G CA 0.665 45.783 45.100 0.030 0.000 0.997 341 G HN 0.335 nan 8.290 nan 0.000 0.543 342 S N -0.381 115.329 115.700 0.017 0.000 2.512 342 S HA 0.431 4.901 4.470 -0.000 0.000 0.161 342 S C 1.360 175.981 174.600 0.034 0.000 1.383 342 S CA 0.319 58.533 58.200 0.024 0.000 1.248 342 S CB 0.052 63.265 63.200 0.022 0.000 1.488 342 S HN 0.654 nan 8.310 nan 0.000 0.382 343 L N 1.789 123.035 121.223 0.039 0.000 1.991 343 L HA -0.228 4.112 4.340 -0.000 0.000 0.221 343 L C 2.514 179.482 176.870 0.164 0.000 1.079 343 L CA 1.992 56.885 54.840 0.089 0.000 0.778 343 L CB -0.408 41.721 42.059 0.117 0.000 0.893 343 L HN 0.725 nan 8.230 nan 0.000 0.437 344 H N -0.168 118.963 119.070 0.101 0.000 2.253 344 H HA -0.188 4.367 4.556 -0.000 0.000 0.296 344 H C 2.057 177.506 175.328 0.201 0.000 1.067 344 H CA 2.335 58.487 56.048 0.174 0.000 1.245 344 H CB 0.100 30.006 29.762 0.240 0.000 1.364 344 H HN 0.386 nan 8.280 nan 0.000 0.494 345 N N -0.089 118.687 118.700 0.127 0.000 2.028 345 N HA -0.121 4.619 4.740 -0.000 0.000 0.194 345 N C 2.071 177.569 175.510 -0.020 0.000 1.050 345 N CA 2.004 55.088 53.050 0.057 0.000 0.848 345 N CB -1.128 37.400 38.487 0.069 0.000 1.038 345 N HN 0.344 nan 8.380 nan 0.000 0.423 346 T N 1.176 115.730 114.554 0.000 0.000 2.721 346 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 346 T C 1.837 176.509 174.700 -0.047 0.000 1.038 346 T CA 1.574 63.654 62.100 -0.033 0.000 1.145 346 T CB -0.495 68.343 68.868 -0.050 0.000 0.858 346 T HN 0.405 nan 8.240 nan 0.000 0.459 347 A N 0.663 123.479 122.820 -0.007 0.000 2.019 347 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 347 A C 2.033 179.569 177.584 -0.080 0.000 1.164 347 A CA 1.329 53.412 52.037 0.075 0.000 0.644 347 A CB -0.628 18.465 19.000 0.155 0.000 0.805 347 A HN 0.631 nan 8.150 nan 0.000 0.449 348 H N -0.629 118.243 119.070 -0.330 0.000 2.276 348 H HA -0.074 4.481 4.556 -0.000 0.000 0.307 348 H C 2.303 177.378 175.328 -0.422 0.000 1.061 348 H CA 1.832 57.594 56.048 -0.475 0.000 1.336 348 H CB -0.182 29.017 29.762 -0.938 0.000 1.396 348 H HN 0.316 nan 8.280 nan 0.000 0.503 349 V N 1.048 120.779 119.914 -0.305 0.000 2.380 349 V HA -0.301 3.818 4.120 -0.000 0.000 0.251 349 V C 2.557 178.604 176.094 -0.079 0.000 1.063 349 V CA 2.005 64.194 62.300 -0.186 0.000 1.055 349 V CB -0.705 31.063 31.823 -0.091 0.000 0.657 349 V HN 0.271 nan 8.190 nan 0.000 0.455 350 M N -0.407 119.179 119.600 -0.024 0.000 2.175 350 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 350 M C 1.906 178.296 176.300 0.150 0.000 1.063 350 M CA 1.787 57.137 55.300 0.083 0.000 1.119 350 M CB -0.297 32.363 32.600 0.100 0.000 1.377 350 M HN 0.263 nan 8.290 nan 0.000 0.415 351 L N -0.959 120.310 121.223 0.075 0.000 2.492 351 L HA 0.080 4.419 4.340 -0.000 0.000 0.223 351 L C 1.970 178.794 176.870 -0.076 0.000 1.132 351 L CA 0.743 55.587 54.840 0.008 0.000 0.850 351 L CB -0.539 41.487 42.059 -0.055 0.000 0.966 351 L HN 0.518 nan 8.230 nan 0.000 0.454 352 G N -0.540 108.218 108.800 -0.070 0.000 2.459 352 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.213 352 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.213 352 G C 1.386 176.261 174.900 -0.041 0.000 1.155 352 G CA -0.181 44.883 45.100 -0.060 0.000 0.811 352 G HN 0.206 nan 8.290 nan 0.000 0.534 353 R N 0.703 121.178 120.500 -0.042 0.000 2.334 353 R HA 0.142 4.482 4.340 -0.000 0.000 0.220 353 R C 1.467 177.741 176.300 -0.044 0.000 0.917 353 R CA -0.124 55.952 56.100 -0.041 0.000 1.073 353 R CB 0.005 30.279 30.300 -0.045 0.000 1.056 353 R HN 0.289 nan 8.270 nan 0.000 0.506 354 Q N 0.423 120.191 119.800 -0.054 0.000 2.522 354 Q HA -0.085 4.255 4.340 -0.000 0.000 0.216 354 Q C 1.659 177.628 176.000 -0.053 0.000 0.986 354 Q CA 1.374 57.127 55.803 -0.084 0.000 0.901 354 Q CB -0.221 28.402 28.738 -0.191 0.000 0.954 354 Q HN 0.486 nan 8.270 nan 0.000 0.502 355 G N -0.286 108.499 108.800 -0.023 0.000 2.683 355 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.213 355 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.213 355 G C -0.049 174.882 174.900 0.052 0.000 1.142 355 G CA 0.154 45.261 45.100 0.012 0.000 0.793 355 G HN 0.208 nan 8.290 nan 0.000 0.534 356 D N -1.601 118.802 120.400 0.005 0.000 2.686 356 D HA 0.176 4.816 4.640 -0.000 0.000 0.229 356 D C -2.299 173.911 176.300 -0.151 0.000 1.391 356 D CA -0.777 53.213 54.000 -0.016 0.000 0.948 356 D CB 1.027 41.864 40.800 0.062 0.000 1.513 356 D HN -0.022 nan 8.370 nan 0.000 0.522 357 P HA 0.039 nan 4.420 nan 0.000 0.217 357 P C 0.975 177.955 177.300 -0.534 0.000 1.153 357 P CA 0.660 63.539 63.100 -0.368 0.000 0.843 357 P CB 0.240 31.681 31.700 -0.431 0.000 0.794 358 H N -1.323 117.712 119.070 -0.057 0.000 2.539 358 H HA 0.338 4.893 4.556 -0.000 0.000 0.267 358 H C 1.086 176.354 175.328 -0.100 0.000 0.982 358 H CA 0.825 56.828 56.048 -0.076 0.000 1.146 358 H CB -0.546 29.173 29.762 -0.071 0.000 1.382 358 H HN 0.100 nan 8.280 nan 0.000 0.577 359 G N 2.067 110.753 108.800 -0.189 0.000 2.326 359 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.286 359 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.286 359 G C 0.807 175.575 174.900 -0.219 0.000 1.096 359 G CA 0.292 45.309 45.100 -0.139 0.000 1.003 359 G HN 0.416 nan 8.290 nan 0.000 0.503 360 K N -1.042 119.053 120.400 -0.509 0.000 2.314 360 K HA 0.244 4.564 4.320 -0.000 0.000 0.198 360 K C 1.327 177.520 176.600 -0.678 0.000 1.045 360 K CA 0.770 56.634 56.287 -0.706 0.000 0.988 360 K CB 0.118 31.854 32.500 -1.274 0.000 0.783 360 K HN 0.423 nan 8.250 nan 0.000 0.484 361 F N 0.802 120.747 119.950 -0.009 0.000 2.720 361 F HA 0.108 4.635 4.527 -0.000 0.000 0.301 361 F C 0.194 175.988 175.800 -0.010 0.000 1.103 361 F CA -0.706 57.289 58.000 -0.009 0.000 1.291 361 F CB -0.693 38.294 39.000 -0.021 0.000 1.086 361 F HN 0.096 nan 8.300 nan 0.000 0.592 362 N N 0.756 119.544 118.700 0.146 0.000 2.681 362 N HA -0.227 4.513 4.740 -0.000 0.000 0.259 362 N C -1.052 174.500 175.510 0.070 0.000 1.066 362 N CA -0.028 53.075 53.050 0.088 0.000 0.717 362 N CB -1.308 37.225 38.487 0.078 0.000 0.885 362 N HN 0.102 nan 8.380 nan 0.000 0.547 363 L N 0.965 122.218 121.223 0.050 0.000 2.421 363 L HA 0.704 5.044 4.340 -0.000 0.000 0.263 363 L C -1.254 175.521 176.870 -0.159 0.000 1.122 363 L CA -1.676 53.144 54.840 -0.034 0.000 0.804 363 L CB 0.328 42.393 42.059 0.009 0.000 1.150 363 L HN 0.384 nan 8.230 nan 0.000 0.457 364 P HA 0.402 nan 4.420 nan 0.000 0.297 364 P C -2.748 174.177 177.300 -0.625 0.000 1.303 364 P CA -1.442 61.185 63.100 -0.789 0.000 0.753 364 P CB -0.372 30.511 31.700 -1.361 0.000 1.281 365 P HA 0.289 nan 4.420 nan 0.000 0.274 365 P C 0.096 177.395 177.300 -0.003 0.000 1.260 365 P CA 0.061 62.935 63.100 -0.378 0.000 0.793 365 P CB 0.056 31.454 31.700 -0.503 0.000 1.048 366 G N -1.245 107.592 108.800 0.062 0.000 2.932 366 G HA2 0.346 4.306 3.960 -0.000 0.000 0.283 366 G HA3 0.346 4.306 3.960 -0.000 0.000 0.283 366 G C 0.824 175.911 174.900 0.312 0.000 1.336 366 G CA -0.413 44.865 45.100 0.296 0.000 1.056 366 G HN 0.422 nan 8.290 nan 0.000 0.522 367 V N -0.518 119.534 119.914 0.230 0.000 2.546 367 V HA -0.158 3.961 4.120 -0.000 0.000 0.254 367 V C 2.213 178.330 176.094 0.038 0.000 1.076 367 V CA 2.806 65.099 62.300 -0.011 0.000 1.087 367 V CB -0.473 31.242 31.823 -0.180 0.000 0.674 367 V HN 0.569 nan 8.190 nan 0.000 0.470 368 M N 0.720 120.333 119.600 0.022 0.000 2.556 368 M HA 0.165 4.645 4.480 -0.000 0.000 0.245 368 M C 1.203 177.524 176.300 0.035 0.000 1.128 368 M CA 1.066 56.376 55.300 0.016 0.000 1.069 368 M CB -0.209 32.322 32.600 -0.115 0.000 1.469 368 M HN 0.550 nan 8.290 nan 0.000 0.494 369 E N 0.043 120.198 120.200 -0.075 0.000 2.338 369 E HA 0.142 4.492 4.350 -0.000 0.000 0.231 369 E C -0.814 175.643 176.600 -0.238 0.000 1.231 369 E CA -0.043 56.202 56.400 -0.259 0.000 1.490 369 E CB -0.116 29.405 29.700 -0.297 0.000 1.360 369 E HN 0.378 nan 8.360 nan 0.000 0.435 370 H N -0.700 118.449 119.070 0.132 0.000 3.123 370 H HA 0.075 4.631 4.556 -0.000 0.000 0.346 370 H C -0.069 175.309 175.328 0.082 0.000 1.138 370 H CA -0.924 55.169 56.048 0.074 0.000 1.273 370 H CB 0.643 30.447 29.762 0.070 0.000 1.926 370 H HN 0.009 nan 8.280 nan 0.000 0.524 371 F N 0.975 121.054 119.950 0.215 0.000 2.325 371 F HA -0.064 4.463 4.527 -0.000 0.000 0.299 371 F C 2.222 177.985 175.800 -0.061 0.000 1.090 371 F CA 0.835 58.834 58.000 -0.002 0.000 1.392 371 F CB 0.072 38.985 39.000 -0.146 0.000 1.053 371 F HN 0.547 nan 8.300 nan 0.000 0.521 372 E N -1.617 118.627 120.200 0.072 0.000 2.494 372 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 372 E C 0.778 177.105 176.600 -0.456 0.000 1.074 372 E CA 0.709 56.940 56.400 -0.282 0.000 0.867 372 E CB -0.343 29.055 29.700 -0.504 0.000 0.924 372 E HN 0.198 nan 8.360 nan 0.000 0.502 373 T N -0.490 113.941 114.554 -0.206 0.000 3.130 373 T HA 0.317 4.667 4.350 -0.000 0.000 0.288 373 T C 1.206 175.809 174.700 -0.163 0.000 0.936 373 T CA 0.338 62.281 62.100 -0.261 0.000 0.897 373 T CB 0.655 69.336 68.868 -0.311 0.000 1.178 373 T HN 0.269 nan 8.240 nan 0.000 0.543 374 A N 0.468 123.240 122.820 -0.080 0.000 1.975 374 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 374 A C 2.137 179.468 177.584 -0.421 0.000 1.170 374 A CA 1.228 53.201 52.037 -0.105 0.000 0.656 374 A CB -0.763 18.354 19.000 0.196 0.000 0.821 374 A HN 0.348 nan 8.150 nan 0.000 0.449 375 T N -0.472 113.735 114.554 -0.577 0.000 3.139 375 T HA -0.049 4.301 4.350 -0.000 0.000 0.267 375 T C 1.833 176.376 174.700 -0.262 0.000 1.164 375 T CA 1.124 62.783 62.100 -0.736 0.000 1.075 375 T CB -0.351 68.156 68.868 -0.602 0.000 0.904 375 T HN 0.435 nan 8.240 nan 0.000 0.540 376 R N 1.236 121.632 120.500 -0.173 0.000 2.062 376 R HA 0.048 4.387 4.340 -0.000 0.000 0.226 376 R C 0.781 177.043 176.300 -0.062 0.000 1.125 376 R CA 0.667 56.774 56.100 0.010 0.000 0.966 376 R CB -0.072 30.314 30.300 0.144 0.000 0.861 376 R HN 0.266 nan 8.270 nan 0.000 0.433 377 D N -0.062 120.041 120.400 -0.495 0.000 2.383 377 D HA 0.029 4.668 4.640 -0.000 0.000 0.252 377 D C -1.824 174.051 176.300 -0.709 0.000 1.166 377 D CA -1.883 51.230 54.000 -1.478 0.000 0.879 377 D CB 1.343 41.536 40.800 -1.012 0.000 1.164 377 D HN -0.133 nan 8.370 nan 0.000 0.462 378 P HA -0.142 nan 4.420 nan 0.000 0.218 378 P C 1.055 178.267 177.300 -0.146 0.000 1.148 378 P CA 1.168 64.156 63.100 -0.186 0.000 0.822 378 P CB -0.004 31.647 31.700 -0.082 0.000 0.784 379 S N -1.772 113.782 115.700 -0.243 0.000 2.595 379 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 379 S C 1.681 176.140 174.600 -0.235 0.000 0.974 379 S CA 0.122 58.198 58.200 -0.206 0.000 0.942 379 S CB -1.644 61.416 63.200 -0.233 0.000 0.766 379 S HN 0.074 nan 8.310 nan 0.000 0.536 380 F N 2.381 122.111 119.950 -0.366 0.000 2.102 380 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 380 F C 1.428 176.951 175.800 -0.461 0.000 1.105 380 F CA 1.145 58.861 58.000 -0.475 0.000 1.239 380 F CB -0.585 38.027 39.000 -0.647 0.000 0.991 380 F HN 0.226 nan 8.300 nan 0.000 0.474 381 F N 0.038 119.841 119.950 -0.244 0.000 2.558 381 F HA 0.091 4.617 4.527 -0.000 0.000 0.298 381 F C 2.465 178.171 175.800 -0.155 0.000 1.119 381 F CA 0.754 58.584 58.000 -0.283 0.000 1.451 381 F CB -0.691 38.014 39.000 -0.492 0.000 1.091 381 F HN -0.153 nan 8.300 nan 0.000 0.563 382 R N 0.238 120.712 120.500 -0.043 0.000 2.073 382 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 382 R C 2.135 178.336 176.300 -0.164 0.000 1.120 382 R CA 0.898 56.949 56.100 -0.081 0.000 0.967 382 R CB -0.496 29.734 30.300 -0.116 0.000 0.862 382 R HN 0.264 nan 8.270 nan 0.000 0.436 383 L N -0.257 120.801 121.223 -0.275 0.000 2.156 383 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 383 L C 1.051 177.749 176.870 -0.288 0.000 1.095 383 L CA 1.936 56.556 54.840 -0.366 0.000 0.770 383 L CB -0.200 41.562 42.059 -0.496 0.000 0.914 383 L HN 0.211 nan 8.230 nan 0.000 0.439 384 H N -1.651 117.244 119.070 -0.292 0.000 2.553 384 H HA 0.129 4.684 4.556 -0.000 0.000 0.265 384 H C 1.949 177.308 175.328 0.051 0.000 0.964 384 H CA 0.561 56.543 56.048 -0.111 0.000 1.156 384 H CB 0.076 29.715 29.762 -0.204 0.000 1.411 384 H HN 0.300 nan 8.280 nan 0.000 0.558 385 K N 0.090 120.574 120.400 0.139 0.000 2.007 385 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 385 K C 1.804 178.499 176.600 0.159 0.000 1.047 385 K CA 0.993 57.381 56.287 0.168 0.000 0.937 385 K CB -0.204 32.376 32.500 0.133 0.000 0.718 385 K HN 0.240 nan 8.250 nan 0.000 0.438 386 Y N 1.137 121.406 120.300 -0.053 0.000 2.030 386 Y HA -0.343 4.207 4.550 -0.000 0.000 0.274 386 Y C 2.007 177.893 175.900 -0.024 0.000 1.153 386 Y CA 2.385 60.436 58.100 -0.080 0.000 1.115 386 Y CB -0.298 38.048 38.460 -0.190 0.000 0.969 386 Y HN 0.035 nan 8.280 nan 0.000 0.488 387 M N 0.029 119.718 119.600 0.148 0.000 2.106 387 M HA -0.280 4.200 4.480 -0.000 0.000 0.259 387 M C 1.900 178.276 176.300 0.127 0.000 1.068 387 M CA 2.092 57.409 55.300 0.028 0.000 1.100 387 M CB -0.577 32.137 32.600 0.191 0.000 1.351 387 M HN 0.343 nan 8.290 nan 0.000 0.404 388 D N 1.006 121.570 120.400 0.274 0.000 2.103 388 D HA -0.155 4.485 4.640 -0.000 0.000 0.190 388 D C 0.759 177.277 176.300 0.363 0.000 0.997 388 D CA 1.439 55.708 54.000 0.447 0.000 0.833 388 D CB -0.319 40.774 40.800 0.488 0.000 0.961 388 D HN 0.493 nan 8.370 nan 0.000 0.447 389 N N -0.130 118.660 118.700 0.149 0.000 2.416 389 N HA 0.051 4.790 4.740 -0.000 0.000 0.215 389 N C 0.750 176.182 175.510 -0.129 0.000 1.208 389 N CA -0.105 52.944 53.050 -0.001 0.000 0.834 389 N CB 0.593 39.044 38.487 -0.060 0.000 1.072 389 N HN 0.209 nan 8.380 nan 0.000 0.472 390 I N -0.559 119.876 120.570 -0.225 0.000 2.810 390 I HA 0.038 4.208 4.170 -0.000 0.000 0.262 390 I C 1.307 177.208 176.117 -0.359 0.000 1.131 390 I CA 0.599 61.617 61.300 -0.471 0.000 1.453 390 I CB -0.650 36.919 38.000 -0.718 0.000 1.161 390 I HN 0.093 nan 8.210 nan 0.000 0.444 391 F N 1.676 121.556 119.950 -0.117 0.000 2.113 391 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 391 F C 2.534 178.211 175.800 -0.206 0.000 1.103 391 F CA 1.328 59.246 58.000 -0.136 0.000 1.248 391 F CB -0.646 38.327 39.000 -0.044 0.000 0.999 391 F HN -0.018 nan 8.300 nan 0.000 0.475 392 K N 0.932 121.320 120.400 -0.020 0.000 2.281 392 K HA -0.201 4.119 4.320 -0.000 0.000 0.203 392 K C 1.906 178.287 176.600 -0.365 0.000 1.046 392 K CA 1.152 57.175 56.287 -0.440 0.000 0.938 392 K CB -0.107 31.822 32.500 -0.950 0.000 0.737 392 K HN 0.200 nan 8.250 nan 0.000 0.458 393 K N -0.521 119.734 120.400 -0.242 0.000 2.211 393 K HA -0.214 4.106 4.320 -0.000 0.000 0.204 393 K C 1.960 178.432 176.600 -0.213 0.000 1.047 393 K CA 1.666 57.830 56.287 -0.205 0.000 0.935 393 K CB -0.165 32.265 32.500 -0.116 0.000 0.728 393 K HN 0.391 nan 8.250 nan 0.000 0.452 394 H N -0.297 118.577 119.070 -0.327 0.000 2.418 394 H HA 0.060 4.615 4.556 -0.000 0.000 0.300 394 H C 1.964 176.942 175.328 -0.584 0.000 1.041 394 H CA 1.398 57.212 56.048 -0.390 0.000 1.364 394 H CB 0.006 29.592 29.762 -0.294 0.000 1.439 394 H HN -0.119 nan 8.280 nan 0.000 0.540 395 T N -0.054 114.284 114.554 -0.361 0.000 2.699 395 T HA -0.168 4.181 4.350 -0.000 0.000 0.268 395 T C 1.101 175.504 174.700 -0.496 0.000 1.036 395 T CA 2.050 63.910 62.100 -0.401 0.000 1.147 395 T CB -0.416 68.290 68.868 -0.270 0.000 0.862 395 T HN 0.380 nan 8.240 nan 0.000 0.446 396 D N -0.185 119.924 120.400 -0.485 0.000 2.339 396 D HA 0.097 4.737 4.640 -0.000 0.000 0.217 396 D C 1.941 178.005 176.300 -0.394 0.000 1.050 396 D CA 0.257 54.019 54.000 -0.398 0.000 0.856 396 D CB -0.025 40.547 40.800 -0.380 0.000 0.922 396 D HN 0.412 nan 8.370 nan 0.000 0.518 397 S N -0.689 114.646 115.700 -0.609 0.000 2.593 397 S HA 0.061 4.530 4.470 -0.000 0.000 0.217 397 S C 0.536 174.954 174.600 -0.303 0.000 0.966 397 S CA -0.386 57.537 58.200 -0.461 0.000 0.914 397 S CB -0.303 62.560 63.200 -0.560 0.000 0.776 397 S HN -0.130 nan 8.310 nan 0.000 0.523 398 F N 3.490 123.286 119.950 -0.257 0.000 2.380 398 F HA 0.519 5.046 4.527 -0.000 0.000 0.325 398 F C -1.805 173.866 175.800 -0.214 0.000 1.136 398 F CA -3.046 54.812 58.000 -0.235 0.000 1.171 398 F CB 0.016 38.856 39.000 -0.266 0.000 1.230 398 F HN 0.044 nan 8.300 nan 0.000 0.554 399 P HA 0.216 nan 4.420 nan 0.000 0.278 399 P C -2.784 174.441 177.300 -0.125 0.000 1.238 399 P CA -1.297 61.780 63.100 -0.038 0.000 0.794 399 P CB 0.793 32.480 31.700 -0.022 0.000 0.955 400 P HA 0.087 nan 4.420 nan 0.000 0.272 400 P C -0.614 176.636 177.300 -0.083 0.000 1.254 400 P CA 0.417 63.445 63.100 -0.119 0.000 0.795 400 P CB 0.091 31.768 31.700 -0.040 0.000 1.022 401 Y N -1.014 119.283 120.300 -0.005 0.000 2.376 401 Y HA 0.349 4.898 4.550 -0.000 0.000 0.325 401 Y C 1.425 177.331 175.900 0.010 0.000 1.199 401 Y CA -0.334 57.764 58.100 -0.004 0.000 1.206 401 Y CB 0.498 38.937 38.460 -0.035 0.000 1.229 401 Y HN 0.269 nan 8.280 nan 0.000 0.480 402 T N -1.052 113.635 114.554 0.221 0.000 2.816 402 T HA 0.049 4.398 4.350 -0.000 0.000 0.282 402 T C 1.227 176.003 174.700 0.127 0.000 0.993 402 T CA -0.124 62.067 62.100 0.151 0.000 0.994 402 T CB 0.678 69.624 68.868 0.130 0.000 1.025 402 T HN 0.847 nan 8.240 nan 0.000 0.529 403 H N 0.554 119.663 119.070 0.066 0.000 2.276 403 H HA -0.088 4.468 4.556 -0.000 0.000 0.301 403 H C 1.531 176.889 175.328 0.049 0.000 1.073 403 H CA 2.267 58.347 56.048 0.053 0.000 1.311 403 H CB -0.567 29.222 29.762 0.046 0.000 1.379 403 H HN 0.772 nan 8.280 nan 0.000 0.494 404 D N 0.289 120.850 120.400 0.268 0.000 2.322 404 D HA -0.159 4.481 4.640 -0.000 0.000 0.210 404 D C 1.730 178.055 176.300 0.042 0.000 0.983 404 D CA 0.738 54.846 54.000 0.181 0.000 0.902 404 D CB -0.191 40.714 40.800 0.176 0.000 0.905 404 D HN 0.581 nan 8.370 nan 0.000 0.483 405 N N -0.370 118.343 118.700 0.022 0.000 2.092 405 N HA -0.028 4.712 4.740 -0.000 0.000 0.189 405 N C 1.908 177.361 175.510 -0.096 0.000 1.040 405 N CA 0.463 53.515 53.050 0.003 0.000 0.845 405 N CB 0.170 38.722 38.487 0.109 0.000 1.017 405 N HN 0.077 nan 8.380 nan 0.000 0.426 406 L N 0.591 121.715 121.223 -0.164 0.000 2.341 406 L HA 0.066 4.406 4.340 -0.000 0.000 0.214 406 L C 0.442 177.253 176.870 -0.099 0.000 1.115 406 L CA 0.145 54.885 54.840 -0.167 0.000 0.820 406 L CB -0.275 41.669 42.059 -0.191 0.000 0.944 406 L HN 0.149 nan 8.230 nan 0.000 0.452 407 E N 1.441 121.554 120.200 -0.145 0.000 2.585 407 E HA -0.141 4.208 4.350 -0.000 0.000 0.252 407 E C -0.670 175.981 176.600 0.086 0.000 0.981 407 E CA 0.234 56.588 56.400 -0.077 0.000 0.943 407 E CB 0.092 29.719 29.700 -0.123 0.000 0.923 407 E HN 0.084 nan 8.360 nan 0.000 0.486 408 F N 4.846 124.761 119.950 -0.059 0.000 2.453 408 F HA 0.335 4.861 4.527 -0.000 0.000 0.358 408 F C -0.272 175.512 175.800 -0.027 0.000 1.129 408 F CA -0.939 57.034 58.000 -0.045 0.000 1.200 408 F CB 0.343 39.307 39.000 -0.058 0.000 1.431 408 F HN 0.259 nan 8.300 nan 0.000 0.503 409 S N 3.596 119.342 115.700 0.077 0.000 2.810 409 S HA 0.389 4.858 4.470 -0.000 0.000 0.329 409 S C 0.877 175.369 174.600 -0.179 0.000 1.231 409 S CA 1.615 59.799 58.200 -0.027 0.000 1.042 409 S CB -0.532 62.684 63.200 0.027 0.000 0.756 409 S HN 1.578 nan 8.310 nan 0.000 0.504 410 G N 5.075 113.774 108.800 -0.169 0.000 2.955 410 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.230 410 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.230 410 G C -0.124 174.600 174.900 -0.293 0.000 1.587 410 G CA -0.250 44.709 45.100 -0.236 0.000 1.216 410 G HN 0.796 nan 8.290 nan 0.000 0.527 411 M N 0.979 120.275 119.600 -0.507 0.000 2.207 411 M HA 0.338 4.817 4.480 -0.000 0.000 0.392 411 M C 0.326 176.543 176.300 -0.138 0.000 1.286 411 M CA 1.447 56.540 55.300 -0.345 0.000 0.828 411 M CB 0.446 32.682 32.600 -0.607 0.000 1.903 411 M HN 1.575 nan 8.290 nan 0.000 0.499 412 V N 5.213 125.094 119.914 -0.054 0.000 2.711 412 V HA 0.540 4.659 4.120 -0.000 0.000 0.304 412 V C -1.021 175.094 176.094 0.035 0.000 1.097 412 V CA -0.968 61.332 62.300 -0.000 0.000 0.906 412 V CB 2.007 33.828 31.823 -0.003 0.000 1.015 412 V HN 0.509 nan 8.190 nan 0.000 0.427 413 V N 7.384 127.330 119.914 0.053 0.000 2.521 413 V HA 0.280 4.400 4.120 -0.000 0.000 0.286 413 V C 1.180 177.302 176.094 0.047 0.000 1.034 413 V CA 0.214 62.556 62.300 0.071 0.000 1.045 413 V CB 0.962 32.836 31.823 0.085 0.000 0.974 413 V HN 1.015 nan 8.190 nan 0.000 0.480 414 N N 3.247 121.977 118.700 0.050 0.000 2.322 414 N HA 0.157 4.897 4.740 -0.000 0.000 0.186 414 N C 0.562 176.090 175.510 0.030 0.000 1.037 414 N CA 1.041 54.111 53.050 0.034 0.000 0.869 414 N CB 0.571 39.079 38.487 0.034 0.000 1.036 414 N HN 0.740 nan 8.380 nan 0.000 0.439 415 G N -0.088 108.739 108.800 0.044 0.000 2.692 415 G HA2 0.495 4.454 3.960 -0.000 0.000 0.291 415 G HA3 0.495 4.454 3.960 -0.000 0.000 0.291 415 G C -1.851 173.083 174.900 0.058 0.000 1.423 415 G CA -0.345 44.778 45.100 0.038 0.000 0.843 415 G HN 0.054 nan 8.290 nan 0.000 0.486 416 V N -0.612 119.333 119.914 0.053 0.000 2.623 416 V HA 0.911 5.031 4.120 -0.000 0.000 0.304 416 V C -0.572 175.577 176.094 0.092 0.000 1.054 416 V CA 0.040 62.390 62.300 0.083 0.000 0.882 416 V CB 1.095 32.967 31.823 0.081 0.000 1.002 416 V HN 1.998 nan 8.190 nan 0.000 0.424 417 A N 6.146 129.040 122.820 0.124 0.000 2.449 417 A HA 0.901 5.220 4.320 -0.000 0.000 0.302 417 A C -1.272 176.416 177.584 0.174 0.000 1.048 417 A CA -0.624 51.488 52.037 0.125 0.000 0.708 417 A CB 1.732 20.782 19.000 0.084 0.000 1.274 417 A HN 1.002 nan 8.150 nan 0.000 0.410 418 I N 1.543 122.197 120.570 0.140 0.000 2.307 418 I HA 0.208 4.377 4.170 -0.000 0.000 0.289 418 I C -0.353 175.811 176.117 0.078 0.000 1.021 418 I CA 0.077 61.455 61.300 0.131 0.000 1.224 418 I CB 1.414 39.482 38.000 0.114 0.000 1.376 418 I HN 0.687 nan 8.210 nan 0.000 0.470 419 D N 6.027 126.468 120.400 0.068 0.000 2.517 419 D HA 0.546 5.186 4.640 -0.000 0.000 0.220 419 D C 0.363 176.695 176.300 0.054 0.000 1.158 419 D CA 0.551 54.578 54.000 0.045 0.000 0.992 419 D CB -0.050 40.763 40.800 0.023 0.000 1.058 419 D HN 0.708 nan 8.370 nan 0.000 0.516 420 G N 2.027 110.857 108.800 0.050 0.000 2.347 420 G HA2 0.029 3.988 3.960 -0.000 0.000 0.224 420 G HA3 0.029 3.988 3.960 -0.000 0.000 0.224 420 G C -1.336 173.579 174.900 0.024 0.000 1.318 420 G CA -0.823 44.310 45.100 0.054 0.000 1.016 420 G HN 0.235 nan 8.290 nan 0.000 0.469 421 E N -0.336 119.873 120.200 0.016 0.000 2.343 421 E HA 0.515 4.865 4.350 -0.000 0.000 0.270 421 E C -0.882 175.641 176.600 -0.128 0.000 0.895 421 E CA -0.741 55.635 56.400 -0.040 0.000 0.767 421 E CB 2.516 32.210 29.700 -0.009 0.000 1.248 421 E HN 0.404 nan 8.360 nan 0.000 0.440 422 L N 3.268 124.384 121.223 -0.178 0.000 2.270 422 L HA 0.479 4.818 4.340 -0.000 0.000 0.286 422 L C -0.209 176.549 176.870 -0.187 0.000 1.059 422 L CA -0.367 54.296 54.840 -0.295 0.000 0.839 422 L CB 0.204 42.036 42.059 -0.378 0.000 1.221 422 L HN 0.333 nan 8.230 nan 0.000 0.431 423 I N 3.162 123.642 120.570 -0.151 0.000 2.534 423 I HA 0.383 4.552 4.170 -0.000 0.000 0.288 423 I C -0.120 175.941 176.117 -0.093 0.000 1.077 423 I CA 0.088 61.300 61.300 -0.146 0.000 1.051 423 I CB 2.327 40.227 38.000 -0.168 0.000 1.234 423 I HN 0.523 nan 8.210 nan 0.000 0.425 424 T N 4.307 118.788 114.554 -0.121 0.000 2.841 424 T HA 0.784 5.134 4.350 -0.000 0.000 0.283 424 T C -0.574 174.133 174.700 0.011 0.000 1.000 424 T CA -0.474 61.484 62.100 -0.236 0.000 0.977 424 T CB 1.318 70.019 68.868 -0.279 0.000 0.979 424 T HN 0.435 nan 8.240 nan 0.000 0.446 425 F N -0.254 119.657 119.950 -0.065 0.000 2.894 425 F HA 0.884 5.410 4.527 -0.000 0.000 0.332 425 F C -1.811 173.872 175.800 -0.196 0.000 1.192 425 F CA -2.470 55.497 58.000 -0.055 0.000 0.980 425 F CB 0.855 39.850 39.000 -0.008 0.000 1.448 425 F HN 0.404 nan 8.300 nan 0.000 0.514 426 F N 1.893 122.127 119.950 0.473 0.000 2.359 426 F HA 0.363 4.890 4.527 -0.000 0.000 0.369 426 F C 0.316 176.292 175.800 0.294 0.000 1.084 426 F CA -0.814 57.333 58.000 0.245 0.000 1.096 426 F CB 0.054 39.059 39.000 0.008 0.000 1.335 426 F HN 0.431 nan 8.300 nan 0.000 0.457 427 D N 1.799 122.540 120.400 0.569 0.000 2.232 427 D HA 0.087 4.727 4.640 -0.000 0.000 0.242 427 D C -0.311 176.244 176.300 0.425 0.000 1.330 427 D CA 0.542 54.815 54.000 0.455 0.000 0.954 427 D CB 0.546 41.586 40.800 0.399 0.000 1.202 427 D HN 0.530 nan 8.370 nan 0.000 0.530 428 E N -0.863 119.547 120.200 0.349 0.000 2.321 428 E HA 0.367 4.717 4.350 -0.000 0.000 0.278 428 E C -1.597 175.198 176.600 0.325 0.000 0.902 428 E CA -0.595 55.998 56.400 0.322 0.000 0.758 428 E CB 1.598 31.428 29.700 0.218 0.000 1.213 428 E HN 0.204 nan 8.360 nan 0.000 0.426 429 F N 1.846 121.857 119.950 0.103 0.000 2.577 429 F HA 0.468 4.995 4.527 -0.000 0.000 0.318 429 F C -1.064 174.767 175.800 0.053 0.000 1.065 429 F CA -0.333 57.720 58.000 0.089 0.000 0.929 429 F CB 2.007 41.076 39.000 0.114 0.000 1.237 429 F HN 0.326 nan 8.300 nan 0.000 0.468 430 Q N 3.979 123.406 119.800 -0.620 0.000 2.285 430 Q HA 0.342 4.682 4.340 -0.000 0.000 0.269 430 Q C -1.809 174.004 176.000 -0.311 0.000 1.030 430 Q CA -0.858 54.748 55.803 -0.329 0.000 0.788 430 Q CB 2.487 31.059 28.738 -0.276 0.000 1.266 430 Q HN 0.669 nan 8.270 nan 0.000 0.438 431 Y N -0.763 119.505 120.300 -0.054 0.000 2.630 431 Y HA 0.757 5.307 4.550 -0.000 0.000 0.337 431 Y C -0.574 175.379 175.900 0.088 0.000 1.051 431 Y CA -1.311 56.852 58.100 0.105 0.000 1.121 431 Y CB 1.516 40.166 38.460 0.316 0.000 1.299 431 Y HN 0.356 nan 8.280 nan 0.000 0.498 432 S N 1.350 117.122 115.700 0.121 0.000 2.429 432 S HA 0.362 4.832 4.470 -0.000 0.000 0.302 432 S C 0.136 174.808 174.600 0.120 0.000 1.115 432 S CA -0.806 57.428 58.200 0.057 0.000 1.095 432 S CB 0.105 63.382 63.200 0.130 0.000 0.987 432 S HN 0.804 nan 8.310 nan 0.000 0.474 433 L N 5.895 127.146 121.223 0.046 0.000 2.713 433 L HA 0.157 4.497 4.340 -0.000 0.000 0.245 433 L C 1.228 178.187 176.870 0.149 0.000 1.169 433 L CA 0.252 55.152 54.840 0.101 0.000 0.962 433 L CB -0.419 41.679 42.059 0.064 0.000 1.161 433 L HN 0.775 nan 8.230 nan 0.000 0.427 434 I N -0.500 120.169 120.570 0.166 0.000 2.406 434 I HA -0.204 3.966 4.170 -0.000 0.000 0.249 434 I C 1.596 177.852 176.117 0.232 0.000 1.122 434 I CA 0.839 62.249 61.300 0.184 0.000 1.431 434 I CB -0.002 38.099 38.000 0.167 0.000 1.087 434 I HN 0.308 nan 8.210 nan 0.000 0.424 435 N N 0.790 119.646 118.700 0.260 0.000 2.571 435 N HA -0.008 4.732 4.740 -0.000 0.000 0.189 435 N C 1.528 177.283 175.510 0.407 0.000 1.154 435 N CA 0.701 53.940 53.050 0.316 0.000 0.907 435 N CB 0.112 38.766 38.487 0.279 0.000 0.977 435 N HN 0.299 nan 8.380 nan 0.000 0.449 436 A N -0.395 122.621 122.820 0.327 0.000 1.935 436 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 436 A C 0.750 178.557 177.584 0.372 0.000 1.178 436 A CA 0.429 52.672 52.037 0.343 0.000 0.640 436 A CB -0.193 18.910 19.000 0.170 0.000 0.825 436 A HN 0.081 nan 8.150 nan 0.000 0.447 437 V N -0.109 119.995 119.914 0.317 0.000 2.617 437 V HA 0.520 4.640 4.120 -0.000 0.000 0.298 437 V C -1.173 175.010 176.094 0.148 0.000 1.048 437 V CA -1.224 61.236 62.300 0.268 0.000 0.964 437 V CB 1.130 33.111 31.823 0.263 0.000 1.004 437 V HN 0.419 nan 8.190 nan 0.000 0.466 438 D N 2.249 122.676 120.400 0.045 0.000 2.210 438 D HA 0.552 5.192 4.640 -0.000 0.000 0.249 438 D C -0.365 175.973 176.300 0.064 0.000 1.062 438 D CA -0.309 53.737 54.000 0.077 0.000 0.891 438 D CB 1.546 42.384 40.800 0.063 0.000 1.186 438 D HN 0.588 nan 8.370 nan 0.000 0.432 439 S N 0.208 115.957 115.700 0.081 0.000 2.605 439 S HA 0.599 5.068 4.470 -0.000 0.000 0.308 439 S C 0.635 175.267 174.600 0.053 0.000 1.113 439 S CA -0.683 57.554 58.200 0.061 0.000 1.049 439 S CB 1.189 64.432 63.200 0.072 0.000 1.001 439 S HN 0.592 nan 8.310 nan 0.000 0.480 440 G N 2.732 111.554 108.800 0.037 0.000 2.542 440 G HA2 0.370 4.330 3.960 -0.000 0.000 0.211 440 G HA3 0.370 4.330 3.960 -0.000 0.000 0.211 440 G C -0.472 174.440 174.900 0.020 0.000 1.702 440 G CA 0.162 45.282 45.100 0.032 0.000 0.935 440 G HN 0.614 nan 8.290 nan 0.000 0.509 441 E N -0.540 119.667 120.200 0.012 0.000 2.321 441 E HA 0.329 4.678 4.350 -0.000 0.000 0.278 441 E C -0.679 175.921 176.600 -0.000 0.000 0.902 441 E CA -0.725 55.676 56.400 0.002 0.000 0.758 441 E CB 1.659 31.357 29.700 -0.003 0.000 1.213 441 E HN 0.350 nan 8.360 nan 0.000 0.426 442 N N 0.589 119.286 118.700 -0.005 0.000 2.994 442 N HA -0.203 4.536 4.740 -0.000 0.000 0.221 442 N C -0.275 175.234 175.510 -0.001 0.000 0.900 442 N CA 0.603 53.649 53.050 -0.006 0.000 1.008 442 N CB -0.880 37.604 38.487 -0.006 0.000 1.053 442 N HN 0.426 nan 8.380 nan 0.000 0.580 443 I N 2.868 123.440 120.570 0.003 0.000 2.342 443 I HA 0.154 4.323 4.170 -0.000 0.000 0.291 443 I C 0.642 176.765 176.117 0.010 0.000 1.010 443 I CA -0.443 60.863 61.300 0.009 0.000 1.308 443 I CB 0.736 38.744 38.000 0.014 0.000 1.400 443 I HN 0.097 nan 8.210 nan 0.000 0.488 444 E N 5.393 125.599 120.200 0.010 0.000 2.243 444 E HA 0.341 4.691 4.350 -0.000 0.000 0.260 444 E C -1.121 175.491 176.600 0.019 0.000 0.985 444 E CA -0.963 55.443 56.400 0.009 0.000 0.858 444 E CB 0.838 30.539 29.700 0.002 0.000 1.210 444 E HN 0.417 nan 8.360 nan 0.000 0.411 445 D N 1.200 121.612 120.400 0.020 0.000 2.401 445 D HA 0.097 4.737 4.640 -0.000 0.000 0.254 445 D C -0.898 175.417 176.300 0.027 0.000 1.192 445 D CA 0.089 54.108 54.000 0.031 0.000 0.885 445 D CB 1.588 42.408 40.800 0.033 0.000 1.147 445 D HN 0.255 nan 8.370 nan 0.000 0.478 446 V N 3.166 123.101 119.914 0.036 0.000 2.513 446 V HA 0.198 4.318 4.120 -0.000 0.000 0.299 446 V C -0.216 175.898 176.094 0.033 0.000 1.035 446 V CA -0.784 61.534 62.300 0.029 0.000 0.889 446 V CB 1.875 33.721 31.823 0.038 0.000 0.988 446 V HN 0.466 nan 8.190 nan 0.000 0.440 447 E N 6.481 126.687 120.200 0.011 0.000 2.052 447 E HA 0.321 4.671 4.350 -0.000 0.000 0.283 447 E C -0.964 175.625 176.600 -0.019 0.000 1.071 447 E CA -0.395 56.006 56.400 0.003 0.000 0.851 447 E CB 0.665 30.358 29.700 -0.012 0.000 1.066 447 E HN 0.725 nan 8.360 nan 0.000 0.396 448 I N 4.356 124.932 120.570 0.009 0.000 2.385 448 I HA 0.267 4.437 4.170 -0.000 0.000 0.294 448 I C 0.323 176.406 176.117 -0.058 0.000 0.988 448 I CA -0.429 60.862 61.300 -0.014 0.000 1.265 448 I CB 1.373 39.436 38.000 0.105 0.000 1.388 448 I HN 0.443 nan 8.210 nan 0.000 0.480 449 N N 3.318 121.915 118.700 -0.172 0.000 2.312 449 N HA 0.792 5.532 4.740 -0.000 0.000 0.296 449 N C -1.270 174.102 175.510 -0.230 0.000 1.193 449 N CA -0.807 52.129 53.050 -0.190 0.000 0.773 449 N CB 2.297 40.660 38.487 -0.207 0.000 1.435 449 N HN 0.623 nan 8.380 nan 0.000 0.484 450 A N 1.212 123.822 122.820 -0.349 0.000 2.350 450 A HA 0.592 4.912 4.320 -0.000 0.000 0.324 450 A C -0.673 176.684 177.584 -0.379 0.000 1.118 450 A CA -0.515 51.307 52.037 -0.358 0.000 0.783 450 A CB 1.069 19.776 19.000 -0.489 0.000 1.236 450 A HN 0.738 nan 8.150 nan 0.000 0.457 451 R N 1.608 121.994 120.500 -0.190 0.000 2.480 451 R HA 0.646 4.986 4.340 -0.000 0.000 0.306 451 R C -1.086 175.178 176.300 -0.061 0.000 0.958 451 R CA -0.387 55.638 56.100 -0.124 0.000 0.861 451 R CB 1.382 31.598 30.300 -0.141 0.000 1.171 451 R HN 0.754 nan 8.270 nan 0.000 0.445 452 V N 0.163 120.124 119.914 0.078 0.000 3.046 452 V HA 0.483 4.603 4.120 -0.000 0.000 0.316 452 V C -0.557 175.605 176.094 0.113 0.000 1.104 452 V CA -0.959 61.399 62.300 0.097 0.000 1.006 452 V CB 1.836 33.810 31.823 0.252 0.000 1.058 452 V HN 0.844 nan 8.190 nan 0.000 0.440 453 H N 2.415 121.482 119.070 -0.006 0.000 2.641 453 H HA 0.574 5.130 4.556 -0.000 0.000 0.295 453 H C -0.010 175.403 175.328 0.141 0.000 1.070 453 H CA -0.696 55.348 56.048 -0.007 0.000 1.257 453 H CB 0.675 30.244 29.762 -0.322 0.000 1.393 453 H HN 0.723 nan 8.280 nan 0.000 0.464 454 R N 3.231 123.984 120.500 0.422 0.000 2.854 454 R HA 0.368 4.708 4.340 -0.000 0.000 0.271 454 R C -1.037 175.602 176.300 0.566 0.000 0.996 454 R CA -1.207 55.150 56.100 0.428 0.000 0.961 454 R CB 1.535 31.957 30.300 0.203 0.000 1.182 454 R HN 0.235 nan 8.270 nan 0.000 0.479 455 L N 0.832 122.322 121.223 0.445 0.000 2.479 455 L HA 0.238 4.578 4.340 -0.000 0.000 0.270 455 L C -0.467 176.277 176.870 -0.209 0.000 1.236 455 L CA 0.907 55.669 54.840 -0.130 0.000 0.823 455 L CB 0.250 42.186 42.059 -0.204 0.000 1.098 455 L HN 0.937 nan 8.230 nan 0.000 0.500 456 N N -1.292 117.072 118.700 -0.561 0.000 3.127 456 N HA 0.453 5.193 4.740 -0.000 0.000 0.239 456 N C -1.929 172.921 175.510 -1.100 0.000 1.407 456 N CA -0.641 51.961 53.050 -0.746 0.000 0.891 456 N CB 0.925 39.000 38.487 -0.687 0.000 1.447 456 N HN 0.828 nan 8.380 nan 0.000 0.507 457 H N -1.076 117.517 119.070 -0.796 0.000 2.931 457 H HA 0.643 5.199 4.556 -0.000 0.000 0.331 457 H C -1.576 173.656 175.328 -0.159 0.000 1.273 457 H CA -0.863 54.887 56.048 -0.496 0.000 1.171 457 H CB 0.916 30.538 29.762 -0.234 0.000 1.898 457 H HN 0.270 nan 8.280 nan 0.000 0.562 458 N N 0.475 119.321 118.700 0.244 0.000 2.321 458 N HA 0.146 4.886 4.740 -0.000 0.000 0.299 458 N C -1.154 174.591 175.510 0.391 0.000 1.048 458 N CA -0.883 52.324 53.050 0.262 0.000 0.836 458 N CB 1.660 40.300 38.487 0.256 0.000 1.269 458 N HN 0.769 nan 8.380 nan 0.000 0.486 459 E N 1.663 121.998 120.200 0.226 0.000 2.492 459 E HA 0.081 4.430 4.350 -0.000 0.000 0.266 459 E C -0.883 175.867 176.600 0.251 0.000 1.047 459 E CA 0.301 56.822 56.400 0.202 0.000 0.968 459 E CB 0.142 29.862 29.700 0.034 0.000 0.960 459 E HN 0.393 nan 8.360 nan 0.000 0.452 460 F N -1.216 118.695 119.950 -0.066 0.000 2.686 460 F HA 0.587 5.114 4.527 -0.000 0.000 0.311 460 F C -0.889 174.763 175.800 -0.248 0.000 1.128 460 F CA -1.050 56.867 58.000 -0.138 0.000 0.946 460 F CB 1.670 40.562 39.000 -0.178 0.000 1.336 460 F HN 0.465 nan 8.300 nan 0.000 0.457 461 T N -0.022 114.451 114.554 -0.136 0.000 2.900 461 T HA 0.630 4.979 4.350 -0.000 0.000 0.295 461 T C -1.937 172.652 174.700 -0.185 0.000 1.044 461 T CA -0.405 61.520 62.100 -0.291 0.000 0.995 461 T CB 0.841 69.591 68.868 -0.196 0.000 1.072 461 T HN 0.516 nan 8.240 nan 0.000 0.473 462 Y N 2.632 122.937 120.300 0.009 0.000 2.313 462 Y HA 0.523 5.072 4.550 -0.000 0.000 0.332 462 Y C 0.883 176.794 175.900 0.018 0.000 1.071 462 Y CA -0.770 57.360 58.100 0.050 0.000 1.169 462 Y CB 1.104 39.593 38.460 0.049 0.000 1.192 462 Y HN 0.444 nan 8.280 nan 0.000 0.487 463 K N 4.918 125.442 120.400 0.208 0.000 2.559 463 K HA 0.470 4.789 4.320 -0.000 0.000 0.249 463 K C -1.315 175.360 176.600 0.126 0.000 0.958 463 K CA -0.425 55.931 56.287 0.115 0.000 0.901 463 K CB 1.417 33.958 32.500 0.069 0.000 1.124 463 K HN 0.583 nan 8.250 nan 0.000 0.437 464 I N 2.870 123.502 120.570 0.102 0.000 2.359 464 I HA 0.118 4.288 4.170 -0.000 0.000 0.284 464 I C -0.203 175.960 176.117 0.077 0.000 1.018 464 I CA -0.279 61.079 61.300 0.096 0.000 1.173 464 I CB 1.706 39.755 38.000 0.081 0.000 1.326 464 I HN 0.416 nan 8.210 nan 0.000 0.462 465 T N 7.920 122.520 114.554 0.078 0.000 2.771 465 T HA 0.699 5.048 4.350 -0.000 0.000 0.291 465 T C -0.287 174.459 174.700 0.077 0.000 0.954 465 T CA -0.496 61.643 62.100 0.064 0.000 1.045 465 T CB 0.680 69.577 68.868 0.049 0.000 0.917 465 T HN 0.607 nan 8.240 nan 0.000 0.484 466 M N 0.239 119.886 119.600 0.078 0.000 2.346 466 M HA 0.494 4.974 4.480 -0.000 0.000 0.287 466 M C -1.264 175.077 176.300 0.069 0.000 1.100 466 M CA -0.811 54.540 55.300 0.085 0.000 0.950 466 M CB 1.439 34.126 32.600 0.145 0.000 1.815 466 M HN 0.280 nan 8.290 nan 0.000 0.497 467 S N 2.205 117.928 115.700 0.039 0.000 2.475 467 S HA 0.402 4.872 4.470 -0.000 0.000 0.281 467 S C -0.337 174.255 174.600 -0.014 0.000 1.198 467 S CA -0.663 57.546 58.200 0.015 0.000 1.063 467 S CB 0.805 64.007 63.200 0.003 0.000 0.972 467 S HN 0.756 nan 8.310 nan 0.000 0.486 468 N N 2.237 120.924 118.700 -0.020 0.000 2.719 468 N HA 0.150 4.889 4.740 -0.000 0.000 0.243 468 N C 0.317 175.786 175.510 -0.068 0.000 1.104 468 N CA -0.353 52.657 53.050 -0.068 0.000 0.981 468 N CB -0.533 37.932 38.487 -0.037 0.000 1.290 468 N HN 0.630 nan 8.380 nan 0.000 0.513 469 N N 1.464 120.115 118.700 -0.081 0.000 2.453 469 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 469 N C -0.080 175.394 175.510 -0.060 0.000 1.041 469 N CA 0.270 53.286 53.050 -0.057 0.000 0.900 469 N CB 0.012 38.472 38.487 -0.045 0.000 0.961 469 N HN 0.503 nan 8.380 nan 0.000 0.443 470 N N 1.702 120.349 118.700 -0.089 0.000 2.307 470 N HA -0.090 4.649 4.740 -0.000 0.000 0.230 470 N C 0.699 176.184 175.510 -0.042 0.000 1.297 470 N CA 0.269 53.275 53.050 -0.073 0.000 0.884 470 N CB 0.354 38.784 38.487 -0.096 0.000 1.115 470 N HN 0.244 nan 8.380 nan 0.000 0.436 471 D N -0.579 119.804 120.400 -0.029 0.000 2.117 471 D HA -0.051 4.589 4.640 -0.000 0.000 0.197 471 D C 0.607 176.900 176.300 -0.011 0.000 0.987 471 D CA 1.171 55.162 54.000 -0.016 0.000 0.829 471 D CB -0.184 40.610 40.800 -0.010 0.000 0.961 471 D HN 0.552 nan 8.370 nan 0.000 0.460 472 G N 0.189 108.982 108.800 -0.011 0.000 2.378 472 G HA2 0.384 4.344 3.960 -0.000 0.000 0.306 472 G HA3 0.384 4.344 3.960 -0.000 0.000 0.306 472 G C -1.351 173.555 174.900 0.009 0.000 1.413 472 G CA -0.221 44.879 45.100 -0.001 0.000 1.123 472 G HN 0.459 nan 8.290 nan 0.000 0.587 473 E N 1.683 121.892 120.200 0.016 0.000 4.743 473 E HA -0.222 4.128 4.350 -0.000 0.000 0.393 473 E C -0.746 175.883 176.600 0.048 0.000 0.776 473 E CA 0.783 57.206 56.400 0.037 0.000 1.154 473 E CB -0.230 29.494 29.700 0.041 0.000 0.655 473 E HN 0.633 nan 8.360 nan 0.000 0.358 474 R N 3.538 124.085 120.500 0.078 0.000 2.744 474 R HA 0.490 4.830 4.340 -0.000 0.000 0.279 474 R C -0.100 176.313 176.300 0.188 0.000 0.977 474 R CA -1.188 54.992 56.100 0.134 0.000 0.906 474 R CB 1.325 31.684 30.300 0.099 0.000 1.197 474 R HN 0.623 nan 8.270 nan 0.000 0.463 475 L N 1.625 122.944 121.223 0.160 0.000 2.426 475 L HA 0.368 4.708 4.340 -0.000 0.000 0.271 475 L C -0.246 176.696 176.870 0.120 0.000 1.169 475 L CA 0.009 54.915 54.840 0.110 0.000 0.836 475 L CB 1.019 43.074 42.059 -0.007 0.000 1.112 475 L HN 0.794 nan 8.230 nan 0.000 0.465 476 A N 2.716 125.617 122.820 0.135 0.000 2.393 476 A HA 0.608 4.928 4.320 -0.000 0.000 0.306 476 A C -0.463 177.049 177.584 -0.120 0.000 1.050 476 A CA -0.501 51.516 52.037 -0.032 0.000 0.724 476 A CB 1.429 20.421 19.000 -0.013 0.000 1.248 476 A HN 0.647 nan 8.150 nan 0.000 0.424 477 T N 2.284 116.681 114.554 -0.261 0.000 2.727 477 T HA 0.400 4.750 4.350 -0.000 0.000 0.298 477 T C -0.631 173.753 174.700 -0.527 0.000 0.942 477 T CA 0.364 62.363 62.100 -0.169 0.000 0.997 477 T CB -0.478 68.404 68.868 0.024 0.000 0.917 477 T HN 0.317 nan 8.240 nan 0.000 0.487 478 F N 3.665 123.329 119.950 -0.476 0.000 2.464 478 F HA 0.293 4.819 4.527 -0.000 0.000 0.353 478 F C 1.300 176.779 175.800 -0.535 0.000 1.191 478 F CA -0.596 56.996 58.000 -0.680 0.000 1.147 478 F CB 0.227 38.332 39.000 -1.492 0.000 1.294 478 F HN 0.230 nan 8.300 nan 0.000 0.583 479 R N 4.762 125.105 120.500 -0.261 0.000 2.255 479 R HA 0.611 4.951 4.340 -0.000 0.000 0.326 479 R C -0.849 175.267 176.300 -0.307 0.000 0.986 479 R CA -0.503 55.456 56.100 -0.236 0.000 0.847 479 R CB 1.309 31.594 30.300 -0.025 0.000 1.111 479 R HN 0.536 nan 8.270 nan 0.000 0.452 480 I N 3.951 124.224 120.570 -0.495 0.000 2.448 480 I HA 0.300 4.470 4.170 -0.000 0.000 0.281 480 I C -0.725 175.068 176.117 -0.542 0.000 1.027 480 I CA -0.652 60.413 61.300 -0.391 0.000 1.111 480 I CB 0.781 38.602 38.000 -0.299 0.000 1.236 480 I HN 0.305 nan 8.210 nan 0.000 0.452 481 F N 5.733 125.768 119.950 0.142 0.000 2.377 481 F HA 0.520 5.047 4.527 -0.000 0.000 0.328 481 F C 0.017 175.920 175.800 0.172 0.000 1.094 481 F CA -0.907 57.187 58.000 0.156 0.000 1.093 481 F CB 1.374 40.473 39.000 0.164 0.000 1.214 481 F HN 0.303 nan 8.300 nan 0.000 0.518 482 L N 3.428 124.830 121.223 0.297 0.000 2.401 482 L HA 0.543 4.883 4.340 -0.000 0.000 0.263 482 L C -1.058 176.012 176.870 0.333 0.000 1.004 482 L CA -0.064 54.910 54.840 0.225 0.000 0.881 482 L CB 0.263 42.309 42.059 -0.020 0.000 1.219 482 L HN 0.656 nan 8.230 nan 0.000 0.441 483 c N 4.602 123.433 118.600 0.384 0.000 2.347 483 c HA 0.689 5.259 4.570 -0.000 0.000 0.366 483 c C -1.890 172.458 174.090 0.431 0.000 1.241 483 c CA -0.718 55.810 56.329 0.333 0.000 2.360 483 c CB 0.897 43.541 42.510 0.223 0.000 2.290 483 c HN 0.651 nan 8.230 nan 0.000 0.587 484 P HA 0.554 nan 4.420 nan 0.000 0.301 484 P C -0.159 177.249 177.300 0.179 0.000 1.309 484 P CA -0.215 63.082 63.100 0.330 0.000 0.782 484 P CB 0.930 32.605 31.700 -0.043 0.000 1.282 485 I N -2.222 118.413 120.570 0.107 0.000 3.878 485 I HA 0.187 4.356 4.170 -0.000 0.000 0.273 485 I C 0.933 177.069 176.117 0.031 0.000 1.165 485 I CA 0.445 61.783 61.300 0.064 0.000 1.360 485 I CB 0.119 38.148 38.000 0.048 0.000 1.539 485 I HN 0.204 nan 8.210 nan 0.000 0.447 486 E N 0.669 120.871 120.200 0.003 0.000 2.281 486 E HA 0.164 4.513 4.350 -0.000 0.000 0.257 486 E C -0.387 176.207 176.600 -0.010 0.000 0.971 486 E CA -0.510 55.894 56.400 0.006 0.000 0.839 486 E CB 1.571 31.273 29.700 0.003 0.000 1.238 486 E HN -0.060 nan 8.360 nan 0.000 0.412 487 D N 0.069 120.470 120.400 0.001 0.000 2.144 487 D HA -0.134 4.505 4.640 -0.000 0.000 0.200 487 D C 0.791 177.087 176.300 -0.006 0.000 0.978 487 D CA 1.403 55.402 54.000 -0.000 0.000 0.833 487 D CB 0.073 40.889 40.800 0.027 0.000 0.961 487 D HN 0.609 nan 8.370 nan 0.000 0.470 488 N N -1.949 116.766 118.700 0.025 0.000 2.976 488 N HA -0.170 4.570 4.740 -0.000 0.000 0.206 488 N C 0.047 175.594 175.510 0.061 0.000 0.910 488 N CA 1.172 54.259 53.050 0.060 0.000 1.030 488 N CB -1.549 36.958 38.487 0.034 0.000 1.019 488 N HN 0.075 nan 8.380 nan 0.000 0.577 489 N N -0.549 118.176 118.700 0.042 0.000 2.273 489 N HA 0.315 5.054 4.740 -0.000 0.000 0.192 489 N C 1.349 176.880 175.510 0.036 0.000 1.132 489 N CA 1.240 54.313 53.050 0.038 0.000 0.887 489 N CB 0.706 39.213 38.487 0.033 0.000 1.048 489 N HN 0.585 nan 8.380 nan 0.000 0.490 490 G N 1.197 110.019 108.800 0.037 0.000 2.259 490 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.217 490 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.217 490 G C 1.072 175.987 174.900 0.026 0.000 1.001 490 G CA 0.259 45.379 45.100 0.032 0.000 0.627 490 G HN 0.267 nan 8.290 nan 0.000 0.501 491 I N 0.983 121.570 120.570 0.028 0.000 2.290 491 I HA -0.128 4.042 4.170 -0.000 0.000 0.253 491 I C 1.522 177.658 176.117 0.032 0.000 1.112 491 I CA 1.657 62.974 61.300 0.029 0.000 1.377 491 I CB -0.988 37.031 38.000 0.032 0.000 1.060 491 I HN 0.694 nan 8.210 nan 0.000 0.428 492 T N 2.000 116.574 114.554 0.032 0.000 2.995 492 T HA -0.093 4.257 4.350 -0.000 0.000 0.456 492 T C -0.087 174.641 174.700 0.047 0.000 0.777 492 T CA -0.156 61.967 62.100 0.038 0.000 2.404 492 T CB -1.352 67.538 68.868 0.036 0.000 1.682 492 T HN 0.291 nan 8.240 nan 0.000 0.624 493 L N 3.095 124.353 121.223 0.058 0.000 2.479 493 L HA 0.715 5.055 4.340 -0.000 0.000 0.248 493 L C 1.832 178.741 176.870 0.064 0.000 1.205 493 L CA 0.252 55.134 54.840 0.070 0.000 0.817 493 L CB 0.018 42.143 42.059 0.110 0.000 1.162 493 L HN 0.562 nan 8.230 nan 0.000 0.486 494 T N -2.120 112.469 114.554 0.059 0.000 3.258 494 T HA 0.363 4.713 4.350 -0.000 0.000 0.263 494 T C 0.643 175.363 174.700 0.033 0.000 0.983 494 T CA -0.242 61.885 62.100 0.046 0.000 0.907 494 T CB -0.579 68.309 68.868 0.033 0.000 1.096 494 T HN 0.584 nan 8.240 nan 0.000 0.556 495 L N 0.303 121.541 121.223 0.025 0.000 3.839 495 L HA -0.266 4.074 4.340 -0.000 0.000 0.416 495 L C 0.232 177.093 176.870 -0.015 0.000 1.195 495 L CA 1.809 56.631 54.840 -0.029 0.000 0.946 495 L CB -1.164 40.863 42.059 -0.052 0.000 1.891 495 L HN 0.604 nan 8.230 nan 0.000 0.963 496 D N -2.791 117.612 120.400 0.005 0.000 1.948 496 D HA 0.021 4.660 4.640 -0.000 0.000 0.376 496 D C 1.309 177.604 176.300 -0.009 0.000 1.209 496 D CA 0.672 54.665 54.000 -0.012 0.000 1.207 496 D CB -0.001 40.786 40.800 -0.023 0.000 1.980 496 D HN 0.454 nan 8.370 nan 0.000 0.471 497 E N 0.163 120.373 120.200 0.016 0.000 2.152 497 E HA 0.166 4.516 4.350 -0.000 0.000 0.192 497 E C 1.314 177.977 176.600 0.104 0.000 0.983 497 E CA 1.090 57.508 56.400 0.030 0.000 0.818 497 E CB 0.206 29.939 29.700 0.055 0.000 0.758 497 E HN 0.247 nan 8.360 nan 0.000 0.467 498 A N 1.175 124.069 122.820 0.122 0.000 2.390 498 A HA 0.067 4.387 4.320 -0.000 0.000 0.232 498 A C 1.770 179.445 177.584 0.150 0.000 1.233 498 A CA -0.246 51.924 52.037 0.222 0.000 0.907 498 A CB -0.173 18.942 19.000 0.192 0.000 0.967 498 A HN 0.138 nan 8.150 nan 0.000 0.512 499 R N -0.883 119.657 120.500 0.065 0.000 2.120 499 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 499 R C 1.857 178.239 176.300 0.136 0.000 1.123 499 R CA 1.387 57.495 56.100 0.014 0.000 0.975 499 R CB -0.481 29.804 30.300 -0.025 0.000 0.866 499 R HN 0.693 nan 8.270 nan 0.000 0.446 500 W N 0.435 121.723 121.300 -0.020 0.000 2.584 500 W HA -0.033 4.627 4.660 -0.000 0.000 0.264 500 W C 0.406 177.006 176.519 0.136 0.000 1.264 500 W CA 0.203 57.576 57.345 0.047 0.000 1.306 500 W CB 0.109 29.548 29.460 -0.035 0.000 1.110 500 W HN 0.065 nan 8.180 nan 0.000 0.606 501 F N 0.749 120.730 119.950 0.052 0.000 2.797 501 F HA 0.061 4.588 4.527 -0.000 0.000 0.302 501 F C 1.199 176.852 175.800 -0.245 0.000 1.130 501 F CA -0.317 57.586 58.000 -0.162 0.000 1.387 501 F CB -1.042 37.862 39.000 -0.160 0.000 1.107 501 F HN -0.323 nan 8.300 nan 0.000 0.577 502 c N 1.921 120.567 118.600 0.077 0.000 2.536 502 c HA 0.574 5.144 4.570 -0.000 0.000 0.396 502 c C 0.628 174.770 174.090 0.086 0.000 1.279 502 c CA -1.457 54.949 56.329 0.128 0.000 2.148 502 c CB -0.328 42.297 42.510 0.192 0.000 2.584 502 c HN 0.332 nan 8.230 nan 0.000 0.579 503 I N -0.533 120.148 120.570 0.185 0.000 2.493 503 I HA 0.532 4.701 4.170 -0.000 0.000 0.298 503 I C -0.199 176.029 176.117 0.184 0.000 0.998 503 I CA -0.318 61.022 61.300 0.067 0.000 1.137 503 I CB 1.221 39.247 38.000 0.044 0.000 1.310 503 I HN 0.725 nan 8.210 nan 0.000 0.445 504 E N 3.847 124.157 120.200 0.182 0.000 2.289 504 E HA 0.160 4.509 4.350 -0.000 0.000 0.278 504 E C -0.233 176.369 176.600 0.002 0.000 1.032 504 E CA -0.393 56.078 56.400 0.118 0.000 0.854 504 E CB 1.477 31.328 29.700 0.252 0.000 1.046 504 E HN 0.713 nan 8.360 nan 0.000 0.409 505 L N 3.543 124.738 121.223 -0.047 0.000 2.537 505 L HA 0.280 4.620 4.340 -0.000 0.000 0.224 505 L C -0.218 176.655 176.870 0.005 0.000 1.065 505 L CA 0.813 55.648 54.840 -0.008 0.000 0.860 505 L CB 0.535 42.609 42.059 0.025 0.000 1.086 505 L HN 0.520 nan 8.230 nan 0.000 0.482 506 D N -1.124 119.241 120.400 -0.059 0.000 2.766 506 D HA 0.254 4.894 4.640 -0.000 0.000 0.244 506 D C -1.536 174.722 176.300 -0.069 0.000 1.198 506 D CA -0.427 53.578 54.000 0.009 0.000 0.739 506 D CB 1.385 42.252 40.800 0.113 0.000 1.379 506 D HN -0.273 nan 8.370 nan 0.000 0.437 507 K N 2.515 122.916 120.400 0.001 0.000 2.616 507 K HA 0.423 4.743 4.320 -0.000 0.000 0.255 507 K C -1.624 174.933 176.600 -0.072 0.000 0.995 507 K CA -0.567 55.650 56.287 -0.117 0.000 0.860 507 K CB 0.985 33.407 32.500 -0.131 0.000 1.264 507 K HN 0.384 nan 8.250 nan 0.000 0.451 508 F N 1.106 120.916 119.950 -0.233 0.000 2.631 508 F HA 0.633 5.159 4.527 -0.000 0.000 0.308 508 F C -1.666 173.995 175.800 -0.232 0.000 1.097 508 F CA -1.340 56.487 58.000 -0.288 0.000 0.952 508 F CB 0.773 39.719 39.000 -0.090 0.000 1.307 508 F HN 0.101 nan 8.300 nan 0.000 0.450 509 F N 1.790 121.928 119.950 0.313 0.000 2.404 509 F HA 0.664 5.190 4.527 -0.000 0.000 0.354 509 F C -0.017 175.981 175.800 0.330 0.000 1.122 509 F CA -0.571 57.562 58.000 0.222 0.000 1.080 509 F CB 1.671 40.720 39.000 0.081 0.000 1.131 509 F HN 0.646 nan 8.300 nan 0.000 0.471 510 Q N 2.567 122.715 119.800 0.580 0.000 2.394 510 Q HA 0.540 4.880 4.340 -0.000 0.000 0.273 510 Q C -1.423 174.795 176.000 0.363 0.000 1.089 510 Q CA -0.988 55.089 55.803 0.457 0.000 0.812 510 Q CB 2.008 31.081 28.738 0.558 0.000 1.353 510 Q HN 0.583 nan 8.270 nan 0.000 0.438 511 K N 0.931 121.474 120.400 0.239 0.000 2.118 511 K HA 0.584 4.904 4.320 -0.000 0.000 0.267 511 K C -1.008 175.713 176.600 0.201 0.000 0.991 511 K CA -0.811 55.595 56.287 0.198 0.000 0.916 511 K CB 1.459 34.036 32.500 0.129 0.000 1.041 511 K HN 0.269 nan 8.250 nan 0.000 0.455 512 V N 3.625 123.659 119.914 0.200 0.000 2.394 512 V HA 0.278 4.397 4.120 -0.000 0.000 0.282 512 V C -1.701 174.455 176.094 0.102 0.000 1.031 512 V CA -2.038 60.366 62.300 0.174 0.000 0.881 512 V CB 0.913 32.870 31.823 0.224 0.000 0.982 512 V HN 0.796 nan 8.190 nan 0.000 0.451 513 P HA 0.024 nan 4.420 nan 0.000 0.280 513 P C 0.510 177.830 177.300 0.033 0.000 1.278 513 P CA -0.137 62.993 63.100 0.051 0.000 0.787 513 P CB 0.787 32.514 31.700 0.045 0.000 1.163 514 S N -1.818 113.894 115.700 0.021 0.000 2.660 514 S HA 0.371 4.841 4.470 -0.000 0.000 0.227 514 S C 0.406 175.008 174.600 0.003 0.000 0.948 514 S CA 0.035 58.239 58.200 0.007 0.000 0.948 514 S CB -1.225 61.978 63.200 0.004 0.000 0.779 514 S HN 0.790 nan 8.310 nan 0.000 0.487 515 G N 1.100 109.907 108.800 0.012 0.000 2.601 515 G HA2 0.448 4.407 3.960 -0.000 0.000 0.291 515 G HA3 0.448 4.407 3.960 -0.000 0.000 0.291 515 G C -3.279 171.632 174.900 0.019 0.000 1.456 515 G CA -1.107 43.999 45.100 0.009 0.000 0.804 515 G HN -0.072 nan 8.290 nan 0.000 0.499 516 P HA -0.127 nan 4.420 nan 0.000 0.224 516 P C 0.044 177.362 177.300 0.031 0.000 1.015 516 P CA 1.150 64.265 63.100 0.024 0.000 0.910 516 P CB 0.169 31.880 31.700 0.018 0.000 0.849 517 E N 2.087 122.314 120.200 0.044 0.000 2.601 517 E HA 0.537 4.887 4.350 -0.000 0.000 0.250 517 E C -0.597 176.027 176.600 0.040 0.000 1.099 517 E CA -0.716 55.709 56.400 0.042 0.000 0.968 517 E CB 1.076 30.809 29.700 0.056 0.000 1.290 517 E HN 0.089 nan 8.360 nan 0.000 0.505 518 T N 1.546 116.119 114.554 0.031 0.000 3.223 518 T HA 0.272 4.622 4.350 -0.000 0.000 0.334 518 T C -0.674 174.031 174.700 0.008 0.000 0.940 518 T CA -0.508 61.608 62.100 0.027 0.000 1.272 518 T CB -0.198 68.685 68.868 0.025 0.000 0.982 518 T HN 0.356 nan 8.240 nan 0.000 0.512 519 I N 1.049 121.612 120.570 -0.012 0.000 2.474 519 I HA 0.571 4.741 4.170 -0.000 0.000 0.287 519 I C 0.400 176.500 176.117 -0.028 0.000 1.048 519 I CA -0.552 60.711 61.300 -0.063 0.000 1.383 519 I CB 0.926 38.815 38.000 -0.184 0.000 1.412 519 I HN 0.449 nan 8.210 nan 0.000 0.531 520 E N 7.390 127.567 120.200 -0.038 0.000 2.238 520 E HA 0.574 4.923 4.350 -0.000 0.000 0.267 520 E C -1.362 175.203 176.600 -0.057 0.000 0.887 520 E CA -0.891 55.503 56.400 -0.010 0.000 0.769 520 E CB 2.700 32.388 29.700 -0.020 0.000 1.187 520 E HN 0.748 nan 8.360 nan 0.000 0.416 521 R N 2.371 122.858 120.500 -0.023 0.000 2.634 521 R HA 0.214 4.553 4.340 -0.000 0.000 0.263 521 R C -1.722 174.485 176.300 -0.155 0.000 1.060 521 R CA -0.505 55.521 56.100 -0.124 0.000 0.898 521 R CB 2.141 32.268 30.300 -0.289 0.000 1.253 521 R HN 0.523 nan 8.270 nan 0.000 0.461 522 S N 0.631 116.183 115.700 -0.248 0.000 2.537 522 S HA 0.069 4.538 4.470 -0.000 0.000 0.275 522 S C 1.439 175.770 174.600 -0.448 0.000 1.272 522 S CA 0.342 58.328 58.200 -0.356 0.000 1.050 522 S CB 1.400 64.454 63.200 -0.243 0.000 0.961 522 S HN 0.707 nan 8.310 nan 0.000 0.496 523 S N 4.683 119.927 115.700 -0.760 0.000 2.399 523 S HA -0.257 4.212 4.470 -0.000 0.000 0.235 523 S C 1.600 176.029 174.600 -0.285 0.000 1.063 523 S CA 1.979 59.715 58.200 -0.774 0.000 1.070 523 S CB -0.482 62.444 63.200 -0.456 0.000 0.904 523 S HN 0.821 nan 8.310 nan 0.000 0.456 524 K N 0.648 120.918 120.400 -0.216 0.000 2.062 524 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 524 K C 1.390 177.916 176.600 -0.123 0.000 1.051 524 K CA 1.430 57.644 56.287 -0.121 0.000 0.941 524 K CB -0.291 32.150 32.500 -0.099 0.000 0.719 524 K HN 0.574 nan 8.250 nan 0.000 0.440 525 D N 1.257 121.564 120.400 -0.154 0.000 2.338 525 D HA -0.036 4.604 4.640 -0.000 0.000 0.239 525 D C 0.389 176.623 176.300 -0.110 0.000 1.095 525 D CA 0.206 54.123 54.000 -0.140 0.000 0.888 525 D CB 0.053 40.741 40.800 -0.186 0.000 0.899 525 D HN -0.038 nan 8.370 nan 0.000 0.525 526 S N 0.799 116.451 115.700 -0.080 0.000 2.554 526 S HA -0.044 4.425 4.470 -0.000 0.000 0.290 526 S C 1.550 176.149 174.600 -0.003 0.000 1.309 526 S CA -0.038 58.150 58.200 -0.020 0.000 1.047 526 S CB 0.685 63.882 63.200 -0.004 0.000 0.828 526 S HN 0.285 nan 8.310 nan 0.000 0.509 527 S N 2.451 118.171 115.700 0.033 0.000 2.528 527 S HA 0.008 4.478 4.470 -0.000 0.000 0.219 527 S C 1.218 175.849 174.600 0.051 0.000 0.985 527 S CA 0.373 58.599 58.200 0.043 0.000 0.914 527 S CB -0.191 63.044 63.200 0.058 0.000 0.776 527 S HN 1.112 nan 8.310 nan 0.000 0.526 528 V N -1.292 118.643 119.914 0.036 0.000 3.342 528 V HA 0.427 4.547 4.120 -0.000 0.000 0.322 528 V C 0.068 176.152 176.094 -0.016 0.000 1.370 528 V CA -0.162 62.155 62.300 0.029 0.000 1.170 528 V CB -0.548 31.287 31.823 0.020 0.000 1.101 528 V HN 0.264 nan 8.190 nan 0.000 0.442 529 T N 0.147 114.695 114.554 -0.010 0.000 2.924 529 T HA 0.757 5.106 4.350 -0.000 0.000 0.291 529 T C -0.887 173.802 174.700 -0.019 0.000 1.045 529 T CA -0.316 61.769 62.100 -0.025 0.000 1.015 529 T CB 2.364 71.224 68.868 -0.012 0.000 1.103 529 T HN 0.117 nan 8.240 nan 0.000 0.496 530 V N 4.058 123.964 119.914 -0.012 0.000 2.841 530 V HA 0.537 4.656 4.120 -0.000 0.000 0.310 530 V C -2.179 173.938 176.094 0.038 0.000 1.090 530 V CA -1.964 60.342 62.300 0.011 0.000 0.930 530 V CB 2.538 34.377 31.823 0.028 0.000 1.014 530 V HN 0.728 nan 8.190 nan 0.000 0.425 531 P HA 0.234 nan 4.420 nan 0.000 0.274 531 P C -1.080 176.322 177.300 0.170 0.000 1.256 531 P CA -0.384 62.780 63.100 0.107 0.000 0.795 531 P CB 0.523 32.297 31.700 0.123 0.000 1.038 532 D N 0.498 121.002 120.400 0.173 0.000 2.368 532 D HA 0.241 4.880 4.640 -0.000 0.000 0.240 532 D C 0.392 176.845 176.300 0.256 0.000 1.169 532 D CA 0.331 54.448 54.000 0.194 0.000 0.906 532 D CB -0.119 40.806 40.800 0.207 0.000 1.187 532 D HN 0.206 nan 8.370 nan 0.000 0.435 533 M N 0.492 120.223 119.600 0.218 0.000 2.528 533 M HA 0.408 4.888 4.480 -0.000 0.000 0.318 533 M C -2.277 174.017 176.300 -0.011 0.000 1.195 533 M CA -1.916 53.397 55.300 0.021 0.000 1.000 533 M CB 0.290 32.833 32.600 -0.095 0.000 1.615 533 M HN 0.067 nan 8.290 nan 0.000 0.469 534 P HA -0.059 nan 4.420 nan 0.000 0.266 534 P C -0.330 176.948 177.300 -0.036 0.000 1.180 534 P CA 0.090 63.088 63.100 -0.171 0.000 0.765 534 P CB 0.276 31.781 31.700 -0.324 0.000 0.806 535 S N 1.670 117.385 115.700 0.024 0.000 2.600 535 S HA 0.084 4.554 4.470 -0.000 0.000 0.265 535 S C 1.036 175.713 174.600 0.128 0.000 1.325 535 S CA -0.575 57.677 58.200 0.087 0.000 1.002 535 S CB -0.056 63.184 63.200 0.066 0.000 0.921 535 S HN 0.338 nan 8.310 nan 0.000 0.554 536 F N 2.243 122.182 119.950 -0.018 0.000 2.046 536 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 536 F C 2.505 178.306 175.800 0.001 0.000 1.123 536 F CA 2.509 60.499 58.000 -0.016 0.000 1.199 536 F CB -1.381 37.630 39.000 0.019 0.000 0.972 536 F HN 0.918 nan 8.300 nan 0.000 0.474 537 Q N -0.067 119.743 119.800 0.017 0.000 1.985 537 Q HA -0.274 4.066 4.340 -0.000 0.000 0.207 537 Q C 2.517 178.439 176.000 -0.129 0.000 0.996 537 Q CA 3.030 58.737 55.803 -0.160 0.000 0.851 537 Q CB -0.696 28.016 28.738 -0.043 0.000 0.921 537 Q HN 0.471 nan 8.270 nan 0.000 0.418 538 S N -0.225 115.449 115.700 -0.043 0.000 2.400 538 S HA -0.194 4.276 4.470 -0.000 0.000 0.234 538 S C 1.741 176.309 174.600 -0.054 0.000 1.049 538 S CA 1.710 59.887 58.200 -0.038 0.000 1.039 538 S CB -0.385 62.805 63.200 -0.017 0.000 0.856 538 S HN 0.450 nan 8.310 nan 0.000 0.465 539 L N 0.176 121.371 121.223 -0.046 0.000 2.599 539 L HA 0.217 4.556 4.340 -0.000 0.000 0.230 539 L C 2.365 179.178 176.870 -0.096 0.000 1.141 539 L CA 0.581 55.392 54.840 -0.048 0.000 0.877 539 L CB -0.191 41.869 42.059 0.001 0.000 1.009 539 L HN 0.175 nan 8.230 nan 0.000 0.447 540 K N 0.304 120.597 120.400 -0.178 0.000 2.029 540 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 540 K C 1.940 178.478 176.600 -0.103 0.000 1.042 540 K CA 0.824 56.992 56.287 -0.199 0.000 0.949 540 K CB -0.048 32.261 32.500 -0.318 0.000 0.740 540 K HN 0.144 nan 8.250 nan 0.000 0.442 541 E N 0.921 121.068 120.200 -0.089 0.000 2.113 541 E HA -0.320 4.030 4.350 -0.000 0.000 0.210 541 E C 2.163 178.737 176.600 -0.043 0.000 1.040 541 E CA 1.762 58.131 56.400 -0.053 0.000 0.847 541 E CB -0.038 29.636 29.700 -0.043 0.000 0.755 541 E HN 0.308 nan 8.360 nan 0.000 0.459 542 Q N -0.597 119.175 119.800 -0.047 0.000 2.167 542 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 542 Q C 2.206 178.175 176.000 -0.051 0.000 0.970 542 Q CA 1.029 56.807 55.803 -0.040 0.000 0.855 542 Q CB -0.046 28.671 28.738 -0.035 0.000 0.911 542 Q HN 0.261 nan 8.270 nan 0.000 0.438 543 A N 1.622 124.402 122.820 -0.065 0.000 1.855 543 A HA -0.207 4.112 4.320 -0.000 0.000 0.215 543 A C 1.672 179.209 177.584 -0.078 0.000 1.191 543 A CA 1.667 53.653 52.037 -0.084 0.000 0.613 543 A CB -0.482 18.456 19.000 -0.104 0.000 0.829 543 A HN 0.204 nan 8.150 nan 0.000 0.442 544 D N 0.500 120.866 120.400 -0.057 0.000 2.103 544 D HA -0.148 4.492 4.640 -0.000 0.000 0.190 544 D C 1.317 177.599 176.300 -0.030 0.000 0.997 544 D CA 1.441 55.424 54.000 -0.028 0.000 0.833 544 D CB -0.532 40.265 40.800 -0.005 0.000 0.961 544 D HN 0.327 nan 8.370 nan 0.000 0.447 545 N N 0.004 118.686 118.700 -0.031 0.000 2.651 545 N HA -0.057 4.682 4.740 -0.000 0.000 0.193 545 N C 0.681 176.169 175.510 -0.036 0.000 1.149 545 N CA 0.571 53.605 53.050 -0.026 0.000 0.933 545 N CB 0.055 38.530 38.487 -0.021 0.000 0.974 545 N HN 0.137 nan 8.380 nan 0.000 0.448 546 A N -0.902 121.883 122.820 -0.058 0.000 2.538 546 A HA 0.241 4.561 4.320 -0.000 0.000 0.269 546 A C 1.601 179.127 177.584 -0.097 0.000 1.231 546 A CA -0.268 51.725 52.037 -0.072 0.000 0.948 546 A CB 0.228 19.175 19.000 -0.088 0.000 1.110 546 A HN 0.078 nan 8.150 nan 0.000 0.529 547 V N -2.200 117.671 119.914 -0.072 0.000 2.575 547 V HA 0.178 4.298 4.120 -0.000 0.000 0.242 547 V C 1.320 177.393 176.094 -0.034 0.000 1.045 547 V CA 1.121 63.381 62.300 -0.067 0.000 1.065 547 V CB -1.526 30.266 31.823 -0.052 0.000 0.717 547 V HN 0.597 nan 8.190 nan 0.000 0.467 548 N N 0.332 119.019 118.700 -0.021 0.000 2.949 548 N HA 0.538 5.277 4.740 -0.000 0.000 0.243 548 N C 0.711 176.215 175.510 -0.010 0.000 1.113 548 N CA 0.389 53.435 53.050 -0.007 0.000 0.980 548 N CB 0.293 nan 38.487 nan 0.000 1.256 548 N HN 0.831 nan 8.380 nan 0.000 0.508 549 G N -1.592 107.201 108.800 -0.011 0.000 4.226 549 G HA2 0.511 4.471 3.960 -0.000 0.000 0.220 549 G HA3 0.511 4.471 3.960 -0.000 0.000 0.220 549 G C 0.795 175.696 174.900 0.001 0.000 0.817 549 G CA 1.165 46.262 45.100 -0.006 0.000 0.879 549 G HN 1.870 nan 8.290 nan 0.000 0.669 550 G N -0.183 108.615 108.800 -0.003 0.000 3.110 550 G HA2 0.162 4.122 3.960 -0.000 0.000 0.238 550 G HA3 0.162 4.122 3.960 -0.000 0.000 0.238 550 G C -0.206 174.721 174.900 0.044 0.000 1.647 550 G CA 0.500 45.616 45.100 0.027 0.000 1.146 550 G HN 1.740 nan 8.290 nan 0.000 0.545 551 H N 0.956 120.013 119.070 -0.022 0.000 3.139 551 H HA 0.486 5.042 4.556 -0.000 0.000 0.325 551 H C -0.212 175.096 175.328 -0.032 0.000 1.146 551 H CA 0.311 56.341 56.048 -0.030 0.000 1.351 551 H CB 1.345 31.087 29.762 -0.034 0.000 2.005 551 H HN 0.863 nan 8.280 nan 0.000 0.517 552 D N 3.173 123.641 120.400 0.114 0.000 3.753 552 D HA -0.052 4.587 4.640 -0.000 0.000 0.106 552 D C -0.498 175.870 176.300 0.113 0.000 1.667 552 D CA -0.022 54.153 54.000 0.292 0.000 0.757 552 D CB 0.699 41.569 40.800 0.117 0.000 3.086 552 D HN 0.551 nan 8.370 nan 0.000 0.259 553 L N 1.431 122.672 121.223 0.030 0.000 3.523 553 L HA -0.117 4.223 4.340 -0.000 0.000 0.668 553 L C -1.217 175.668 176.870 0.026 0.000 1.211 553 L CA 0.512 55.355 54.840 0.005 0.000 1.096 553 L CB -1.054 40.978 42.059 -0.044 0.000 1.617 553 L HN 0.446 nan 8.230 nan 0.000 0.873 554 D N 3.039 123.458 120.400 0.031 0.000 2.438 554 D HA 0.442 5.081 4.640 -0.000 0.000 0.257 554 D C 0.322 176.641 176.300 0.032 0.000 1.148 554 D CA -0.452 53.564 54.000 0.026 0.000 0.902 554 D CB 0.885 41.693 40.800 0.014 0.000 1.062 554 D HN 0.346 nan 8.370 nan 0.000 0.518 555 L N 0.992 122.248 121.223 0.056 0.000 3.014 555 L HA 0.335 4.675 4.340 -0.000 0.000 0.263 555 L C 0.630 177.562 176.870 0.103 0.000 1.207 555 L CA -0.657 54.257 54.840 0.122 0.000 1.017 555 L CB -0.264 41.894 42.059 0.163 0.000 1.360 555 L HN -0.005 nan 8.230 nan 0.000 0.560 556 S N 0.745 116.456 115.700 0.019 0.000 2.515 556 S HA 0.569 5.039 4.470 -0.000 0.000 0.285 556 S C 0.958 175.496 174.600 -0.104 0.000 1.265 556 S CA 0.672 58.860 58.200 -0.019 0.000 1.079 556 S CB 0.580 63.760 63.200 -0.034 0.000 0.877 556 S HN 0.736 nan 8.310 nan 0.000 0.493 557 A N 4.797 127.505 122.820 -0.186 0.000 2.263 557 A HA 0.198 4.517 4.320 -0.000 0.000 0.150 557 A C 0.013 177.214 177.584 -0.638 0.000 1.963 557 A CA -0.219 51.475 52.037 -0.571 0.000 1.452 557 A CB -0.288 18.138 19.000 -0.957 0.000 1.568 557 A HN 0.773 nan 8.150 nan 0.000 0.323 558 Y N 1.747 122.024 120.300 -0.038 0.000 2.715 558 Y HA 0.343 4.893 4.550 -0.000 0.000 0.255 558 Y C 0.396 176.268 175.900 -0.047 0.000 1.139 558 Y CA 0.086 58.165 58.100 -0.035 0.000 1.151 558 Y CB 0.261 38.714 38.460 -0.013 0.000 1.201 558 Y HN 0.436 nan 8.280 nan 0.000 0.556 559 E N 0.358 120.581 120.200 0.039 0.000 2.354 559 E HA 0.402 4.752 4.350 -0.000 0.000 0.252 559 E C 0.553 177.138 176.600 -0.025 0.000 1.330 559 E CA -0.021 56.384 56.400 0.007 0.000 1.658 559 E CB 0.378 30.070 29.700 -0.013 0.000 1.460 559 E HN 0.460 nan 8.360 nan 0.000 0.435 560 R N -0.609 119.882 120.500 -0.015 0.000 4.335 560 R HA 0.040 4.380 4.340 -0.000 0.000 0.050 560 R C -0.429 175.872 176.300 0.002 0.000 0.766 560 R CA 0.192 56.270 56.100 -0.035 0.000 2.101 560 R CB 0.084 30.345 30.300 -0.065 0.000 1.383 560 R HN 0.038 nan 8.270 nan 0.000 0.441 561 S N 1.072 116.775 115.700 0.005 0.000 3.866 561 S HA -0.248 4.222 4.470 -0.000 0.000 0.232 561 S C 0.922 175.586 174.600 0.107 0.000 0.711 561 S CA 0.351 58.578 58.200 0.045 0.000 1.361 561 S CB -0.824 62.417 63.200 0.069 0.000 1.635 561 S HN 0.474 nan 8.310 nan 0.000 0.388 562 c N 2.643 121.323 118.600 0.133 0.000 2.466 562 c HA 0.114 4.684 4.570 -0.000 0.000 0.278 562 c C 2.259 176.553 174.090 0.340 0.000 1.288 562 c CA 0.586 57.068 56.329 0.255 0.000 1.722 562 c CB -1.495 41.168 42.510 0.254 0.000 2.017 562 c HN 1.025 nan 8.230 nan 0.000 0.488 563 G N 0.350 109.237 108.800 0.145 0.000 2.647 563 G HA2 0.367 4.326 3.960 -0.000 0.000 0.271 563 G HA3 0.367 4.326 3.960 -0.000 0.000 0.271 563 G C -0.069 174.672 174.900 -0.266 0.000 1.300 563 G CA -0.098 44.988 45.100 -0.025 0.000 0.997 563 G HN 0.593 nan 8.290 nan 0.000 0.533 564 I N -2.370 117.979 120.570 -0.367 0.000 2.918 564 I HA 0.463 4.633 4.170 -0.000 0.000 0.316 564 I C -2.564 173.464 176.117 -0.148 0.000 1.001 564 I CA -2.646 58.423 61.300 -0.386 0.000 1.142 564 I CB 1.587 39.366 38.000 -0.369 0.000 1.356 564 I HN 0.107 nan 8.210 nan 0.000 0.524 565 P HA -0.013 nan 4.420 nan 0.000 0.264 565 P C -0.251 177.034 177.300 -0.024 0.000 1.193 565 P CA 0.407 63.475 63.100 -0.054 0.000 0.763 565 P CB 0.504 32.159 31.700 -0.075 0.000 0.810 566 D N 3.404 123.811 120.400 0.012 0.000 2.182 566 D HA -0.198 4.441 4.640 -0.000 0.000 0.201 566 D C 1.615 177.997 176.300 0.137 0.000 0.986 566 D CA 1.436 55.482 54.000 0.076 0.000 0.847 566 D CB 0.107 40.946 40.800 0.065 0.000 0.942 566 D HN 0.330 nan 8.370 nan 0.000 0.467 567 R N -0.288 120.221 120.500 0.014 0.000 2.152 567 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 567 R C 1.677 178.011 176.300 0.055 0.000 1.117 567 R CA 1.024 57.114 56.100 -0.018 0.000 0.981 567 R CB -0.446 29.806 30.300 -0.081 0.000 0.870 567 R HN 0.284 nan 8.270 nan 0.000 0.451 568 M N 0.741 120.349 119.600 0.014 0.000 2.495 568 M HA 0.094 4.574 4.480 -0.000 0.000 0.237 568 M C 1.695 177.971 176.300 -0.040 0.000 1.131 568 M CA 0.067 55.357 55.300 -0.015 0.000 1.032 568 M CB -0.454 32.115 32.600 -0.052 0.000 1.513 568 M HN 0.129 nan 8.290 nan 0.000 0.488 569 L N 1.538 122.753 121.223 -0.014 0.000 2.013 569 L HA -0.216 4.124 4.340 -0.000 0.000 0.239 569 L C 0.584 177.330 176.870 -0.208 0.000 1.100 569 L CA 1.925 56.698 54.840 -0.112 0.000 0.826 569 L CB -0.507 41.443 42.059 -0.181 0.000 0.921 569 L HN 0.121 nan 8.230 nan 0.000 0.445 570 L N -0.191 120.834 121.223 -0.329 0.000 2.456 570 L HA 0.334 4.673 4.340 -0.000 0.000 0.257 570 L C -1.894 174.739 176.870 -0.394 0.000 1.162 570 L CA -2.003 52.595 54.840 -0.403 0.000 0.808 570 L CB -1.015 40.757 42.059 -0.479 0.000 1.136 570 L HN 0.199 nan 8.230 nan 0.000 0.466 571 P HA 0.093 nan 4.420 nan 0.000 0.274 571 P C 0.114 177.167 177.300 -0.412 0.000 1.256 571 P CA -0.494 62.297 63.100 -0.514 0.000 0.795 571 P CB 1.069 32.258 31.700 -0.851 0.000 1.038 572 K N 1.220 121.424 120.400 -0.327 0.000 2.001 572 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 572 K C 0.840 177.192 176.600 -0.413 0.000 1.048 572 K CA 1.785 57.802 56.287 -0.450 0.000 0.932 572 K CB -0.484 31.710 32.500 -0.510 0.000 0.715 572 K HN 0.792 nan 8.250 nan 0.000 0.437 573 S N -0.660 114.887 115.700 -0.256 0.000 3.368 573 S HA -0.233 4.237 4.470 -0.000 0.000 0.632 573 S C -0.563 173.959 174.600 -0.130 0.000 2.690 573 S CA 0.852 58.993 58.200 -0.098 0.000 3.124 573 S CB -1.061 62.218 63.200 0.132 0.000 0.317 573 S HN 0.394 nan 8.310 nan 0.000 1.617 574 K N 2.127 122.515 120.400 -0.021 0.000 2.185 574 K HA 0.695 5.015 4.320 -0.000 0.000 0.240 574 K C -1.964 174.744 176.600 0.179 0.000 0.983 574 K CA -1.638 54.704 56.287 0.092 0.000 0.873 574 K CB 0.741 33.357 32.500 0.193 0.000 1.118 574 K HN 0.431 nan 8.250 nan 0.000 0.441 575 P HA -0.064 nan 4.420 nan 0.000 0.231 575 P C -0.112 177.280 177.300 0.153 0.000 1.168 575 P CA 1.060 64.279 63.100 0.198 0.000 0.779 575 P CB 0.319 32.130 31.700 0.185 0.000 0.844 576 E N -0.196 120.099 120.200 0.158 0.000 2.170 576 E HA 0.260 4.610 4.350 -0.000 0.000 0.191 576 E C 0.923 177.571 176.600 0.081 0.000 0.981 576 E CA 0.595 57.062 56.400 0.112 0.000 0.830 576 E CB -0.319 29.461 29.700 0.134 0.000 0.775 576 E HN 0.197 nan 8.360 nan 0.000 0.470 577 G N 1.076 109.925 108.800 0.082 0.000 2.587 577 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.686 577 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.686 577 G C -0.733 174.140 174.900 -0.045 0.000 1.236 577 G CA -0.485 44.629 45.100 0.024 0.000 0.820 577 G HN 0.033 nan 8.290 nan 0.000 0.645 578 M N 0.071 119.575 119.600 -0.160 0.000 2.631 578 M HA 0.658 5.138 4.480 -0.000 0.000 0.288 578 M C -0.526 175.452 176.300 -0.536 0.000 1.260 578 M CA -1.003 54.059 55.300 -0.397 0.000 0.842 578 M CB 2.583 34.805 32.600 -0.630 0.000 1.743 578 M HN 0.546 nan 8.290 nan 0.000 0.461 579 E N 1.475 121.362 120.200 -0.523 0.000 2.145 579 E HA 0.605 4.955 4.350 -0.000 0.000 0.270 579 E C -1.560 174.721 176.600 -0.531 0.000 0.906 579 E CA -0.419 55.768 56.400 -0.355 0.000 0.761 579 E CB 1.557 31.170 29.700 -0.145 0.000 1.116 579 E HN 0.353 nan 8.360 nan 0.000 0.408 580 F N 1.077 121.040 119.950 0.022 0.000 2.461 580 F HA 0.317 4.843 4.527 -0.000 0.000 0.332 580 F C 0.801 176.656 175.800 0.092 0.000 1.073 580 F CA -1.064 56.972 58.000 0.060 0.000 1.017 580 F CB 0.750 39.748 39.000 -0.003 0.000 1.301 580 F HN 0.317 nan 8.300 nan 0.000 0.492 581 N N 1.597 120.497 118.700 0.333 0.000 2.444 581 N HA 0.326 5.066 4.740 -0.000 0.000 0.262 581 N C -1.531 174.160 175.510 0.301 0.000 0.974 581 N CA -0.375 52.845 53.050 0.284 0.000 0.933 581 N CB 1.135 39.801 38.487 0.299 0.000 1.137 581 N HN 0.627 nan 8.380 nan 0.000 0.498 582 L N 3.647 124.998 121.223 0.213 0.000 2.295 582 L HA 0.520 4.860 4.340 -0.000 0.000 0.285 582 L C -1.335 175.609 176.870 0.123 0.000 1.035 582 L CA -0.676 54.290 54.840 0.209 0.000 0.806 582 L CB 0.592 42.756 42.059 0.175 0.000 1.214 582 L HN 0.420 nan 8.230 nan 0.000 0.426 583 Y N 3.941 124.353 120.300 0.188 0.000 2.335 583 Y HA 0.549 5.099 4.550 -0.000 0.000 0.338 583 Y C -0.372 175.620 175.900 0.153 0.000 0.977 583 Y CA -0.532 57.692 58.100 0.207 0.000 1.114 583 Y CB 2.109 40.732 38.460 0.272 0.000 1.182 583 Y HN 0.261 nan 8.280 nan 0.000 0.463 584 V N 3.748 123.752 119.914 0.149 0.000 2.444 584 V HA 0.809 4.928 4.120 -0.000 0.000 0.294 584 V C -0.467 175.709 176.094 0.136 0.000 1.022 584 V CA -0.844 61.515 62.300 0.098 0.000 0.850 584 V CB 1.357 33.212 31.823 0.054 0.000 0.992 584 V HN 0.832 nan 8.190 nan 0.000 0.426 585 A N 4.319 127.221 122.820 0.137 0.000 2.343 585 A HA 0.859 5.179 4.320 -0.000 0.000 0.316 585 A C -0.857 176.724 177.584 -0.006 0.000 1.104 585 A CA -0.665 51.447 52.037 0.126 0.000 0.768 585 A CB 1.931 21.058 19.000 0.210 0.000 1.213 585 A HN 1.207 nan 8.150 nan 0.000 0.456 586 V N 3.254 123.137 119.914 -0.052 0.000 2.407 586 V HA 0.744 4.864 4.120 -0.000 0.000 0.291 586 V C 0.150 176.164 176.094 -0.133 0.000 1.018 586 V CA 0.469 62.625 62.300 -0.241 0.000 0.842 586 V CB 1.267 32.788 31.823 -0.504 0.000 0.996 586 V HN 1.345 nan 8.190 nan 0.000 0.426 587 T N 2.320 116.711 114.554 -0.271 0.000 2.897 587 T HA 0.388 4.738 4.350 -0.000 0.000 0.278 587 T C -0.094 174.056 174.700 -0.917 0.000 0.981 587 T CA -0.468 61.385 62.100 -0.413 0.000 0.973 587 T CB 1.519 70.249 68.868 -0.231 0.000 1.092 587 T HN 0.767 nan 8.240 nan 0.000 0.543 588 D N 0.257 119.944 120.400 -1.187 0.000 2.453 588 D HA 0.238 4.877 4.640 -0.000 0.000 0.223 588 D C 1.630 177.583 176.300 -0.579 0.000 1.183 588 D CA 0.091 53.304 54.000 -1.312 0.000 0.933 588 D CB 0.268 40.472 40.800 -0.993 0.000 1.038 588 D HN 0.792 nan 8.370 nan 0.000 0.513 589 G N 3.853 112.402 108.800 -0.420 0.000 2.597 589 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.222 589 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.222 589 G C 1.178 175.912 174.900 -0.276 0.000 1.135 589 G CA 0.707 45.642 45.100 -0.275 0.000 0.759 589 G HN 0.453 nan 8.290 nan 0.000 0.595 590 D N -0.587 119.691 120.400 -0.203 0.000 2.310 590 D HA 0.033 4.673 4.640 -0.000 0.000 0.212 590 D C 2.177 178.370 176.300 -0.178 0.000 0.965 590 D CA 0.757 54.658 54.000 -0.166 0.000 0.879 590 D CB 0.040 40.789 40.800 -0.086 0.000 0.921 590 D HN 0.396 nan 8.370 nan 0.000 0.510 591 K N -0.240 120.041 120.400 -0.199 0.000 2.354 591 K HA 0.002 4.321 4.320 -0.000 0.000 0.194 591 K C 0.672 177.156 176.600 -0.194 0.000 1.045 591 K CA 0.084 56.267 56.287 -0.173 0.000 1.026 591 K CB 0.590 32.993 32.500 -0.162 0.000 0.866 591 K HN -0.114 nan 8.250 nan 0.000 0.530 592 D N 0.486 120.746 120.400 -0.234 0.000 2.096 592 D HA -0.111 4.529 4.640 -0.000 0.000 0.207 592 D C 0.949 177.131 176.300 -0.197 0.000 0.976 592 D CA 1.573 55.451 54.000 -0.202 0.000 0.875 592 D CB -0.467 40.232 40.800 -0.169 0.000 1.009 592 D HN 0.176 nan 8.370 nan 0.000 0.449 593 T N -0.259 114.101 114.554 -0.325 0.000 3.953 593 T HA -0.001 4.348 4.350 -0.000 0.000 0.236 593 T C 0.671 175.191 174.700 -0.300 0.000 0.861 593 T CA -0.115 61.788 62.100 -0.329 0.000 0.909 593 T CB -0.626 67.865 68.868 -0.629 0.000 1.240 593 T HN 0.141 nan 8.240 nan 0.000 0.683 594 E N 0.566 120.613 120.200 -0.255 0.000 2.352 594 E HA 0.191 4.541 4.350 -0.000 0.000 0.197 594 E C 1.143 177.542 176.600 -0.335 0.000 1.224 594 E CA 0.043 56.299 56.400 -0.240 0.000 1.118 594 E CB -0.867 28.731 29.700 -0.170 0.000 1.198 594 E HN 0.791 nan 8.360 nan 0.000 0.454 595 G N 0.435 108.915 108.800 -0.533 0.000 4.251 595 G HA2 0.005 3.964 3.960 -0.000 0.000 0.147 595 G HA3 0.005 3.964 3.960 -0.000 0.000 0.147 595 G C -0.327 174.104 174.900 -0.782 0.000 1.014 595 G CA -0.056 44.594 45.100 -0.750 0.000 0.831 595 G HN 0.442 nan 8.290 nan 0.000 0.539 607 A N 0.501 123.268 122.820 -0.088 0.000 2.589 607 A HA 0.189 4.508 4.320 -0.000 0.000 0.283 607 A C 0.715 178.390 177.584 0.152 0.000 1.187 607 A CA -0.064 51.991 52.037 0.030 0.000 0.957 607 A CB 0.327 19.310 19.000 -0.029 0.000 1.175 607 A HN 0.376 nan 8.150 nan 0.000 0.532 608 Q N -1.042 118.942 119.800 0.307 0.000 2.274 608 Q HA 0.161 4.501 4.340 -0.000 0.000 0.198 608 Q C 0.452 176.677 176.000 0.375 0.000 0.955 608 Q CA 0.763 56.789 55.803 0.373 0.000 0.859 608 Q CB -0.412 28.583 28.738 0.429 0.000 0.956 608 Q HN 0.451 nan 8.270 nan 0.000 0.516 609 c N 1.914 120.700 118.600 0.309 0.000 2.184 609 c HA 0.573 5.143 4.570 -0.000 0.000 0.328 609 c C 1.162 175.368 174.090 0.193 0.000 1.081 609 c CA -0.900 55.568 56.329 0.232 0.000 1.533 609 c CB -0.501 42.058 42.510 0.082 0.000 1.905 609 c HN 0.534 nan 8.230 nan 0.000 0.439 610 G N 3.443 112.414 108.800 0.285 0.000 3.397 610 G HA2 0.110 4.069 3.960 -0.000 0.000 0.248 610 G HA3 0.110 4.069 3.960 -0.000 0.000 0.248 610 G C 1.208 176.170 174.900 0.103 0.000 1.284 610 G CA 0.126 45.357 45.100 0.218 0.000 1.570 610 G HN 0.662 nan 8.290 nan 0.000 0.587 611 V N 0.105 119.998 119.914 -0.034 0.000 2.511 611 V HA -0.236 3.884 4.120 -0.000 0.000 0.257 611 V C 1.627 177.775 176.094 0.090 0.000 1.088 611 V CA 1.687 63.897 62.300 -0.150 0.000 1.098 611 V CB -0.558 31.159 31.823 -0.177 0.000 0.674 611 V HN 0.725 nan 8.190 nan 0.000 0.470 612 H N -1.846 117.160 119.070 -0.107 0.000 2.467 612 H HA 0.430 4.986 4.556 -0.000 0.000 0.275 612 H C 1.465 176.616 175.328 -0.296 0.000 1.131 612 H CA 0.363 56.210 56.048 -0.335 0.000 0.989 612 H CB 0.559 30.068 29.762 -0.422 0.000 1.696 612 H HN 0.450 nan 8.280 nan 0.000 0.574 613 G N 1.524 110.476 108.800 0.255 0.000 2.218 613 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 613 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 613 G C 0.029 175.081 174.900 0.253 0.000 0.994 613 G CA -0.587 44.730 45.100 0.360 0.000 0.637 613 G HN 0.437 nan 8.290 nan 0.000 0.505 614 E N 1.434 121.740 120.200 0.177 0.000 2.491 614 E HA 0.425 4.774 4.350 -0.000 0.000 0.250 614 E C 0.867 177.552 176.600 0.140 0.000 1.061 614 E CA 0.184 56.660 56.400 0.127 0.000 0.942 614 E CB 0.720 30.478 29.700 0.097 0.000 0.957 614 E HN 0.781 nan 8.360 nan 0.000 0.480 615 A N 4.398 127.265 122.820 0.078 0.000 2.545 615 A HA -0.093 4.226 4.320 -0.000 0.000 0.253 615 A C -0.332 177.223 177.584 -0.048 0.000 1.074 615 A CA -0.127 51.906 52.037 -0.006 0.000 0.760 615 A CB -0.196 18.728 19.000 -0.125 0.000 1.005 615 A HN 0.613 nan 8.150 nan 0.000 0.506 616 Y N 6.227 126.482 120.300 -0.076 0.000 2.805 616 Y HA 0.075 4.625 4.550 -0.000 0.000 0.331 616 Y C -0.987 174.833 175.900 -0.133 0.000 1.241 616 Y CA -0.765 57.319 58.100 -0.027 0.000 1.546 616 Y CB 0.635 39.103 38.460 0.014 0.000 1.248 616 Y HN 0.606 nan 8.280 nan 0.000 0.559 617 P HA -0.121 nan 4.420 nan 0.000 0.220 617 P C -0.077 177.249 177.300 0.044 0.000 1.152 617 P CA 0.893 63.934 63.100 -0.098 0.000 0.812 617 P CB 0.303 32.026 31.700 0.038 0.000 0.792 618 D N -0.134 120.201 120.400 -0.110 0.000 2.264 618 D HA 0.073 4.712 4.640 -0.000 0.000 0.249 618 D C 0.679 177.024 176.300 0.076 0.000 1.070 618 D CA -0.278 53.746 54.000 0.039 0.000 0.912 618 D CB 0.570 41.356 40.800 -0.025 0.000 1.193 618 D HN -0.221 nan 8.370 nan 0.000 0.427 619 N N 1.692 120.432 118.700 0.067 0.000 2.273 619 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 619 N C 0.067 175.591 175.510 0.023 0.000 1.132 619 N CA -0.138 52.965 53.050 0.087 0.000 0.887 619 N CB 0.364 38.871 38.487 0.033 0.000 1.048 619 N HN 0.217 nan 8.380 nan 0.000 0.490 620 R N 1.885 122.339 120.500 -0.077 0.000 2.784 620 R HA 0.163 4.502 4.340 -0.000 0.000 0.266 620 R C -1.694 174.611 176.300 0.008 0.000 1.044 620 R CA -1.212 54.775 56.100 -0.189 0.000 1.151 620 R CB -0.431 29.505 30.300 -0.606 0.000 1.037 620 R HN 0.160 nan 8.270 nan 0.000 0.478 621 P HA 0.084 nan 4.420 nan 0.000 0.296 621 P C -0.621 176.721 177.300 0.070 0.000 1.295 621 P CA -0.270 62.912 63.100 0.137 0.000 0.754 621 P CB 0.520 32.348 31.700 0.213 0.000 1.311 622 L N -1.144 120.075 121.223 -0.007 0.000 2.307 622 L HA 0.571 4.910 4.340 -0.000 0.000 0.284 622 L C 1.119 177.674 176.870 -0.525 0.000 1.023 622 L CA 0.869 55.475 54.840 -0.389 0.000 0.810 622 L CB 1.045 42.745 42.059 -0.599 0.000 1.231 622 L HN 0.818 nan 8.230 nan 0.000 0.423 623 G N 2.033 110.503 108.800 -0.550 0.000 2.175 623 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.182 623 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.182 623 G C -0.178 174.684 174.900 -0.063 0.000 1.003 623 G CA -0.513 44.436 45.100 -0.251 0.000 0.666 623 G HN 0.494 nan 8.290 nan 0.000 0.506 624 Y N 3.058 123.341 120.300 -0.029 0.000 2.805 624 Y HA 0.392 4.941 4.550 -0.000 0.000 0.331 624 Y C -1.427 174.508 175.900 0.058 0.000 1.241 624 Y CA -0.232 57.884 58.100 0.027 0.000 1.546 624 Y CB 1.077 39.554 38.460 0.028 0.000 1.248 624 Y HN 0.092 nan 8.280 nan 0.000 0.559 625 P HA 0.143 nan 4.420 nan 0.000 0.263 625 P C -0.236 176.877 177.300 -0.311 0.000 1.821 625 P CA 0.235 62.838 63.100 -0.828 0.000 1.186 625 P CB 0.060 31.008 31.700 -1.254 0.000 1.623 626 L N 0.436 121.488 121.223 -0.285 0.000 2.628 626 L HA 0.115 4.454 4.340 -0.000 0.000 0.229 626 L C 2.061 178.936 176.870 0.008 0.000 1.137 626 L CA 0.347 55.062 54.840 -0.208 0.000 0.909 626 L CB -0.233 41.576 42.059 -0.416 0.000 1.137 626 L HN 0.116 nan 8.230 nan 0.000 0.470 627 E N 1.145 121.397 120.200 0.087 0.000 2.502 627 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 627 E C 0.620 177.316 176.600 0.160 0.000 1.062 627 E CA 0.089 56.640 56.400 0.252 0.000 0.867 627 E CB 0.376 30.256 29.700 0.300 0.000 0.888 627 E HN 0.365 nan 8.360 nan 0.000 0.510 628 R N 0.582 121.128 120.500 0.077 0.000 2.832 628 R HA 0.376 4.716 4.340 -0.000 0.000 0.271 628 R C -0.125 176.138 176.300 -0.061 0.000 0.996 628 R CA -0.896 55.172 56.100 -0.053 0.000 0.977 628 R CB 1.513 31.670 30.300 -0.238 0.000 1.168 628 R HN -0.068 nan 8.270 nan 0.000 0.482 629 R N 2.091 122.525 120.500 -0.111 0.000 2.583 629 R HA 0.029 4.369 4.340 -0.000 0.000 0.274 629 R C -0.239 176.029 176.300 -0.053 0.000 0.998 629 R CA 0.880 56.923 56.100 -0.094 0.000 1.081 629 R CB 0.219 30.448 30.300 -0.118 0.000 0.940 629 R HN 0.472 nan 8.270 nan 0.000 0.413 630 I N 5.926 126.478 120.570 -0.030 0.000 2.714 630 I HA 0.158 4.328 4.170 -0.000 0.000 0.276 630 I C -1.816 174.299 176.117 -0.005 0.000 1.196 630 I CA -1.758 59.541 61.300 -0.002 0.000 1.068 630 I CB 1.860 39.861 38.000 0.001 0.000 1.291 630 I HN 0.352 nan 8.210 nan 0.000 0.530 631 P HA -0.056 nan 4.420 nan 0.000 0.217 631 P C -0.340 176.968 177.300 0.013 0.000 1.154 631 P CA 1.150 64.247 63.100 -0.005 0.000 0.841 631 P CB 0.035 31.730 31.700 -0.008 0.000 0.788 632 D N -1.219 119.197 120.400 0.027 0.000 2.593 632 D HA 0.082 4.721 4.640 -0.000 0.000 0.251 632 D C 0.422 176.754 176.300 0.053 0.000 1.140 632 D CA -0.866 53.156 54.000 0.037 0.000 0.855 632 D CB 1.102 41.923 40.800 0.036 0.000 1.267 632 D HN -0.066 nan 8.370 nan 0.000 0.532 633 E N 2.186 122.422 120.200 0.059 0.000 2.338 633 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 633 E C 1.631 178.289 176.600 0.097 0.000 1.007 633 E CA 0.459 56.907 56.400 0.080 0.000 0.849 633 E CB 0.138 29.891 29.700 0.089 0.000 0.774 633 E HN 0.438 nan 8.360 nan 0.000 0.506 634 R N -0.470 120.079 120.500 0.081 0.000 2.198 634 R HA -0.229 4.111 4.340 -0.000 0.000 0.258 634 R C 1.919 178.278 176.300 0.098 0.000 1.173 634 R CA 1.973 58.121 56.100 0.081 0.000 0.991 634 R CB -0.120 30.217 30.300 0.063 0.000 0.879 634 R HN 0.149 nan 8.270 nan 0.000 0.460 635 V N -0.818 119.156 119.914 0.100 0.000 2.500 635 V HA -0.091 4.029 4.120 -0.000 0.000 0.243 635 V C 1.974 178.138 176.094 0.116 0.000 1.039 635 V CA 1.048 63.419 62.300 0.118 0.000 1.053 635 V CB -0.376 31.512 31.823 0.107 0.000 0.695 635 V HN 0.142 nan 8.190 nan 0.000 0.463 636 I N 1.090 121.725 120.570 0.109 0.000 2.264 636 I HA -0.252 3.917 4.170 -0.000 0.000 0.248 636 I C 1.978 178.182 176.117 0.144 0.000 1.111 636 I CA 1.635 63.004 61.300 0.115 0.000 1.382 636 I CB -0.501 37.575 38.000 0.126 0.000 1.060 636 I HN 0.254 nan 8.210 nan 0.000 0.418 637 D N 0.157 120.653 120.400 0.160 0.000 2.389 637 D HA -0.081 4.559 4.640 -0.000 0.000 0.221 637 D C 1.644 178.020 176.300 0.126 0.000 0.974 637 D CA 1.235 55.327 54.000 0.153 0.000 0.923 637 D CB -0.227 40.655 40.800 0.138 0.000 0.892 637 D HN 0.434 nan 8.370 nan 0.000 0.518 638 G N -0.156 108.729 108.800 0.142 0.000 4.238 638 G HA2 0.289 4.249 3.960 -0.000 0.000 0.292 638 G HA3 0.289 4.249 3.960 -0.000 0.000 0.292 638 G C -0.175 174.857 174.900 0.220 0.000 1.036 638 G CA -0.119 45.082 45.100 0.168 0.000 0.812 638 G HN 0.176 nan 8.290 nan 0.000 0.489 639 V N 0.062 120.037 119.914 0.103 0.000 2.435 639 V HA 0.635 4.755 4.120 -0.000 0.000 0.290 639 V C 1.303 177.427 176.094 0.050 0.000 1.030 639 V CA 0.432 62.725 62.300 -0.011 0.000 0.881 639 V CB 1.605 33.338 31.823 -0.150 0.000 0.983 639 V HN 0.296 nan 8.190 nan 0.000 0.445 640 S N 3.581 119.315 115.700 0.056 0.000 2.402 640 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 640 S C 1.137 175.766 174.600 0.049 0.000 1.021 640 S CA 1.415 59.645 58.200 0.050 0.000 0.974 640 S CB -0.968 62.253 63.200 0.034 0.000 0.800 640 S HN 1.046 nan 8.310 nan 0.000 0.484 641 N N 0.740 119.475 118.700 0.059 0.000 2.375 641 N HA 0.298 5.037 4.740 -0.000 0.000 0.220 641 N C -0.383 175.172 175.510 0.076 0.000 1.170 641 N CA -0.167 52.933 53.050 0.082 0.000 0.833 641 N CB -0.069 38.515 38.487 0.162 0.000 1.069 641 N HN 0.411 nan 8.380 nan 0.000 0.479 642 I N 0.129 120.745 120.570 0.077 0.000 2.686 642 I HA 0.361 4.531 4.170 -0.000 0.000 0.295 642 I C -0.727 175.444 176.117 0.089 0.000 1.114 642 I CA -0.852 60.513 61.300 0.107 0.000 1.038 642 I CB 2.371 40.447 38.000 0.128 0.000 1.238 642 I HN -0.085 nan 8.210 nan 0.000 0.420 643 K N 4.000 124.439 120.400 0.066 0.000 2.542 643 K HA 0.477 4.796 4.320 -0.000 0.000 0.259 643 K C -1.517 175.038 176.600 -0.074 0.000 0.932 643 K CA -0.790 55.500 56.287 0.004 0.000 0.820 643 K CB 1.800 34.298 32.500 -0.003 0.000 1.345 643 K HN 0.744 nan 8.250 nan 0.000 0.432 644 H N -0.553 118.365 119.070 -0.253 0.000 2.637 644 H HA 0.823 5.378 4.556 -0.000 0.000 0.363 644 H C -1.327 173.867 175.328 -0.223 0.000 1.131 644 H CA -0.956 54.797 56.048 -0.491 0.000 1.183 644 H CB 1.749 30.945 29.762 -0.944 0.000 1.637 644 H HN 0.114 nan 8.280 nan 0.000 0.531 645 V N 3.898 123.823 119.914 0.019 0.000 2.789 645 V HA 0.420 4.539 4.120 -0.000 0.000 0.311 645 V C -0.429 175.718 176.094 0.089 0.000 1.073 645 V CA -0.811 61.499 62.300 0.016 0.000 0.921 645 V CB 2.121 33.953 31.823 0.016 0.000 1.009 645 V HN 0.937 nan 8.190 nan 0.000 0.426 646 V N 7.356 127.322 119.914 0.086 0.000 2.649 646 V HA 0.753 4.873 4.120 -0.000 0.000 0.292 646 V C -0.182 175.963 176.094 0.085 0.000 1.055 646 V CA 0.383 62.747 62.300 0.108 0.000 1.023 646 V CB 1.579 33.454 31.823 0.088 0.000 0.992 646 V HN 0.928 nan 8.190 nan 0.000 0.480 647 V N 2.805 122.780 119.914 0.101 0.000 3.234 647 V HA 0.752 4.872 4.120 -0.000 0.000 0.317 647 V C -0.273 175.853 176.094 0.054 0.000 1.147 647 V CA -0.967 61.379 62.300 0.076 0.000 1.037 647 V CB 1.563 33.440 31.823 0.090 0.000 1.148 647 V HN 1.214 nan 8.190 nan 0.000 0.455 648 K N 0.624 121.041 120.400 0.028 0.000 2.535 648 K HA 0.639 4.959 4.320 -0.000 0.000 0.251 648 K C -2.104 174.501 176.600 0.008 0.000 0.942 648 K CA -0.677 55.607 56.287 -0.006 0.000 0.798 648 K CB 2.366 34.846 32.500 -0.034 0.000 1.267 648 K HN 0.823 nan 8.250 nan 0.000 0.434 649 I N 4.219 124.821 120.570 0.054 0.000 2.509 649 I HA 0.398 4.568 4.170 -0.000 0.000 0.293 649 I C -0.452 175.679 176.117 0.023 0.000 1.020 649 I CA -1.269 60.051 61.300 0.034 0.000 1.088 649 I CB 2.040 40.139 38.000 0.165 0.000 1.267 649 I HN 0.353 nan 8.210 nan 0.000 0.430 650 V N 2.303 122.198 119.914 -0.032 0.000 2.680 650 V HA 0.436 4.556 4.120 -0.000 0.000 0.309 650 V C -0.815 175.269 176.094 -0.017 0.000 1.052 650 V CA -0.833 61.460 62.300 -0.011 0.000 0.908 650 V CB 1.854 33.675 31.823 -0.003 0.000 1.001 650 V HN 0.675 nan 8.190 nan 0.000 0.431 651 H N 2.050 121.090 119.070 -0.049 0.000 2.581 651 H HA 0.473 5.028 4.556 -0.000 0.000 0.308 651 H C -0.257 175.127 175.328 0.094 0.000 1.040 651 H CA -0.476 55.541 56.048 -0.052 0.000 1.231 651 H CB 0.297 30.030 29.762 -0.048 0.000 1.396 651 H HN 0.829 nan 8.280 nan 0.000 0.467 652 H N 4.725 123.672 119.070 -0.204 0.000 2.819 652 H HA 0.048 4.604 4.556 -0.000 0.000 0.303 652 H C 0.285 175.344 175.328 -0.448 0.000 1.058 652 H CA -0.773 55.130 56.048 -0.240 0.000 1.471 652 H CB 1.053 30.779 29.762 -0.060 0.000 1.480 652 H HN 0.396 nan 8.280 nan 0.000 0.517 653 L N 0.000 121.149 121.223 -0.123 0.000 2.949 653 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 653 L CA 0.000 54.767 54.840 -0.121 0.000 0.813 653 L CB 0.000 42.030 42.059 -0.049 0.000 0.961 653 L HN 0.000 nan 8.230 nan 0.000 0.502