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_B 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 0.542 4.863 4.320 0.001 0.000 0.294 2 A C 0.924 178.547 177.584 0.065 0.000 1.156 2 A CA 0.036 52.108 52.037 0.059 0.000 0.963 2 A CB -0.650 18.370 19.000 0.034 0.000 1.202 2 A HN 1.291 nan 8.150 nan 0.000 0.523 3 L N -2.168 119.112 121.223 0.096 0.000 3.533 3 L HA -0.124 4.217 4.340 0.001 0.000 0.477 3 L C 0.235 177.168 176.870 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 1.453 nan 8.230 nan 0.000 0.863 4 G N -1.586 107.302 108.800 0.148 0.000 2.491 4 G HA2 0.262 4.222 3.960 0.001 0.000 0.183 4 G HA3 0.262 4.222 3.960 0.001 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 -0.183 114.353 114.554 -0.031 0.000 3.141 5 T HA 0.538 4.889 4.350 0.001 0.000 0.391 5 T C 1.296 175.915 174.700 -0.135 0.000 1.170 5 T CA 1.788 63.794 62.100 -0.158 0.000 1.054 5 T CB 0.016 68.827 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 4.053 3.960 0.001 0.000 0.076 6 G HA3 0.092 4.053 3.960 0.001 0.000 0.076 6 G C -0.059 174.760 174.900 -0.135 0.000 1.053 6 G CA 0.939 45.993 45.100 -0.077 0.000 1.230 6 G HN 1.108 nan 8.290 nan 0.000 0.431 7 N N -2.378 116.154 118.700 -0.279 0.000 2.494 7 N HA 0.181 4.922 4.740 0.001 0.000 0.295 7 N C 1.482 176.836 175.510 -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 -0.146 122.480 122.820 -0.322 0.000 2.253 8 A HA 0.042 4.362 4.320 0.001 0.000 0.203 8 A C 1.389 178.846 177.584 -0.211 0.000 1.272 8 A CA 0.945 52.837 52.037 -0.242 0.000 0.847 8 A CB -0.404 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 0.001 0.000 0.209 9 Q C 1.550 177.482 176.000 -0.113 0.000 0.797 9 Q CA 0.422 56.138 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 0.614 nan 8.270 nan 0.000 0.626 10 K N 1.292 121.473 120.400 -0.364 0.000 2.052 10 K HA -0.292 4.029 4.320 0.001 0.000 0.215 10 K C 2.127 178.692 176.600 -0.058 0.000 1.053 10 K CA 2.238 58.182 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 1.262 120.971 119.800 -0.152 0.000 2.045 11 Q HA -0.297 4.043 4.340 0.001 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 0.128 119.848 119.800 -0.133 0.000 2.045 12 Q HA -0.261 4.079 4.340 0.001 0.000 0.206 12 Q C 1.640 177.430 176.000 -0.349 0.000 0.991 12 Q CA 2.287 57.932 55.803 -0.263 0.000 0.851 12 Q CB -0.464 28.125 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 4.420 4.640 0.001 0.000 0.190 13 D C 1.943 178.249 176.300 0.009 0.000 1.003 13 D CA 1.835 55.837 54.000 0.002 0.000 0.849 13 D CB -0.205 40.768 40.800 0.288 0.000 0.942 13 D HN 0.314 nan 8.370 nan 0.000 0.446 14 I N 2.225 122.846 120.570 0.086 0.000 2.099 14 I HA -0.286 3.885 4.170 0.001 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 -0.518 37.535 38.000 0.088 0.000 1.037 14 I HN 0.071 nan 8.210 nan 0.000 0.401 15 N N -0.565 118.179 118.700 0.074 0.000 2.192 15 N HA -0.244 4.497 4.740 0.001 0.000 0.188 15 N C 1.840 177.503 175.510 0.254 0.000 1.013 15 N CA 1.670 54.873 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 0.843 119.838 119.070 -0.126 0.000 2.357 16 H HA 0.054 4.610 4.556 0.001 0.000 0.301 16 H C 2.333 177.516 175.328 -0.242 0.000 1.082 16 H CA 0.491 56.227 56.048 -0.520 0.000 1.342 16 H CB 0.145 29.465 29.762 -0.737 0.000 1.389 16 H HN 0.090 nan 8.280 nan 0.000 0.511 17 L N 0.472 121.756 121.223 0.101 0.000 1.994 17 L HA -0.175 4.166 4.340 0.001 0.000 0.208 17 L C 1.271 178.280 176.870 0.232 0.000 1.071 17 L CA 1.095 56.036 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 -0.990 120.365 121.223 0.220 0.000 2.805 18 L HA 0.197 4.538 4.340 0.001 0.000 0.237 18 L C 0.170 177.163 176.870 0.205 0.000 1.252 18 L CA -0.403 54.543 54.840 0.177 0.000 1.064 18 L CB -0.706 41.396 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 4.728 4.640 0.001 0.000 0.264 19 D C 0.285 176.755 176.300 0.283 0.000 1.263 19 D CA -0.514 53.737 54.000 0.418 0.000 1.037 19 D CB 0.673 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 0.764 121.329 120.400 0.275 0.000 2.320 20 K HA -0.186 4.135 4.320 0.001 0.000 0.239 20 K C 0.605 177.290 176.600 0.142 0.000 1.260 20 K CA 0.164 56.580 56.287 0.215 0.000 1.242 20 K CB -0.377 32.242 32.500 0.198 0.000 0.718 20 K HN 0.343 nan 8.250 nan 0.000 0.537 21 I N 2.101 122.694 120.570 0.038 0.000 3.783 21 I HA -0.071 4.099 4.170 0.001 0.000 0.310 21 I C 0.507 176.476 176.117 -0.245 0.000 1.274 21 I CA 0.460 61.682 61.300 -0.131 0.000 1.294 21 I CB 0.302 38.171 38.000 -0.218 0.000 1.051 21 I HN 0.428 nan 8.210 nan 0.000 0.435 22 Y N 1.772 122.184 120.300 0.187 0.000 2.495 22 Y HA 0.383 4.933 4.550 0.001 0.000 0.293 22 Y C -0.061 175.957 175.900 0.197 0.000 1.186 22 Y CA -0.371 57.877 58.100 0.246 0.000 1.266 22 Y CB -0.238 38.377 38.460 0.258 0.000 1.101 22 Y HN 0.204 nan 8.280 nan 0.000 0.517 23 E N -0.033 120.282 120.200 0.192 0.000 2.335 23 E HA 0.251 4.601 4.350 0.001 0.000 0.280 23 E C -2.871 173.770 176.600 0.069 0.000 0.918 23 E CA -2.520 53.961 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 -0.145 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 0.547 63.648 63.100 0.001 0.000 0.756 24 P CB 0.042 31.742 31.700 -0.001 0.000 0.764 25 T N 0.260 114.827 114.554 0.020 0.000 2.918 25 T HA 0.171 4.521 4.350 0.001 0.000 0.302 25 T C 0.990 175.733 174.700 0.071 0.000 1.045 25 T CA -0.542 61.608 62.100 0.083 0.000 1.114 25 T CB 1.064 70.024 68.868 0.153 0.000 0.965 25 T HN 0.272 nan 8.240 nan 0.000 0.540 26 K N 0.151 120.608 120.400 0.095 0.000 2.404 26 K HA 0.140 4.460 4.320 0.001 0.000 0.194 26 K C -0.598 175.938 176.600 -0.107 0.000 1.023 26 K CA 0.110 56.368 56.287 -0.047 0.000 1.094 26 K CB 0.150 32.579 32.500 -0.119 0.000 0.841 26 K HN 0.594 nan 8.250 nan 0.000 0.523 27 Y N 1.601 121.853 120.300 -0.079 0.000 2.518 27 Y HA 0.118 4.669 4.550 0.001 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 0.787 39.130 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 0.788 178.135 177.300 0.077 0.000 1.155 28 P CA 2.179 65.315 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 0.403 120.865 120.400 0.104 0.000 2.097 29 D HA -0.147 4.493 4.640 0.001 0.000 0.195 29 D C 2.321 178.672 176.300 0.086 0.000 0.989 29 D CA 0.933 54.993 54.000 0.100 0.000 0.827 29 D CB -1.169 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 0.962 122.242 121.223 0.094 0.000 2.043 30 L HA -0.227 4.114 4.340 0.001 0.000 0.212 30 L C 2.699 179.589 176.870 0.034 0.000 1.075 30 L CA 1.904 56.776 54.840 0.055 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 -0.118 120.309 120.400 0.045 0.000 2.076 31 K HA -0.127 4.194 4.320 0.001 0.000 0.204 31 K C 1.565 178.185 176.600 0.035 0.000 1.051 31 K CA 1.414 57.715 56.287 0.023 0.000 0.949 31 K CB -0.510 31.998 32.500 0.013 0.000 0.726 31 K HN 0.456 nan 8.250 nan 0.000 0.443 32 D N 1.944 122.376 120.400 0.052 0.000 2.310 32 D HA -0.141 4.499 4.640 0.001 0.000 0.212 32 D C 1.883 178.238 176.300 0.091 0.000 0.965 32 D CA 0.693 54.732 54.000 0.064 0.000 0.879 32 D CB -0.195 40.642 40.800 0.062 0.000 0.921 32 D HN 0.303 nan 8.370 nan 0.000 0.510 33 I N 1.587 122.207 120.570 0.083 0.000 2.202 33 I HA -0.231 3.939 4.170 0.001 0.000 0.242 33 I C 2.899 179.095 176.117 0.132 0.000 1.091 33 I CA 1.122 62.489 61.300 0.111 0.000 1.368 33 I CB -0.409 37.610 38.000 0.032 0.000 1.058 33 I HN -0.007 nan 8.210 nan 0.000 0.410 34 A N 0.240 123.087 122.820 0.045 0.000 1.997 34 A HA -0.256 4.064 4.320 0.001 0.000 0.221 34 A C 2.202 179.801 177.584 0.026 0.000 1.172 34 A CA 2.039 54.067 52.037 -0.015 0.000 0.645 34 A CB -0.473 18.485 19.000 -0.070 0.000 0.813 34 A HN 0.530 nan 8.150 nan 0.000 0.454 35 E N -1.353 118.890 120.200 0.071 0.000 2.110 35 E HA -0.030 4.321 4.350 0.001 0.000 0.193 35 E C 1.567 178.246 176.600 0.132 0.000 0.950 35 E CA 0.329 56.773 56.400 0.072 0.000 0.840 35 E CB -0.125 29.603 29.700 0.046 0.000 0.809 35 E HN 0.513 nan 8.360 nan 0.000 0.465 36 N N 0.654 119.438 118.700 0.140 0.000 2.270 36 N HA -0.078 4.663 4.740 0.001 0.000 0.181 36 N C 0.584 176.194 175.510 0.166 0.000 1.016 36 N CA 0.442 53.572 53.050 0.135 0.000 0.870 36 N CB -0.206 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 1.875 121.861 119.950 0.060 0.000 2.496 37 F HA 0.126 4.653 4.527 0.001 0.000 0.344 37 F C 0.682 176.411 175.800 -0.119 0.000 1.155 37 F CA 0.008 58.002 58.000 -0.011 0.000 1.302 37 F CB 0.484 39.471 39.000 -0.021 0.000 1.159 37 F HN -0.093 nan 8.300 nan 0.000 0.595 38 N N 5.826 124.176 118.700 -0.584 0.000 2.581 38 N HA 0.249 4.990 4.740 0.001 0.000 0.279 38 N C -2.538 172.641 175.510 -0.552 0.000 1.124 38 N CA -1.521 51.267 53.050 -0.437 0.000 0.833 38 N CB 2.045 40.379 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 0.098 0.000 0.759 39 P CB 0.326 32.093 31.700 0.112 0.000 0.843 40 L N -1.171 120.026 121.223 -0.044 0.000 2.965 40 L HA 0.468 4.809 4.340 0.001 0.000 0.254 40 L C 1.327 178.183 176.870 -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 41.574 42.059 -0.018 0.000 1.355 40 L HN -0.109 nan 8.230 nan 0.000 0.545 41 G N -0.974 107.775 108.800 -0.086 0.000 3.899 41 G HA2 0.263 4.223 3.960 0.001 0.000 0.293 41 G HA3 0.263 4.223 3.960 0.001 0.000 0.293 41 G C -0.330 174.543 174.900 -0.045 0.000 1.054 41 G CA 0.111 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 -0.208 120.192 120.400 -0.001 0.000 3.496 42 D HA -0.031 4.609 4.640 0.001 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 0.016 0.000 1.147 42 D CB -0.611 40.184 40.800 -0.009 0.000 1.335 42 D HN -0.141 nan 8.370 nan 0.000 0.720 43 T N 1.050 115.684 114.554 0.133 0.000 2.933 43 T HA 0.364 4.715 4.350 0.001 0.000 0.263 43 T C 0.997 175.833 174.700 0.226 0.000 0.925 43 T CA 1.166 63.432 62.100 0.276 0.000 1.156 43 T CB 0.277 69.281 68.868 0.227 0.000 0.916 43 T HN 0.385 nan 8.240 nan 0.000 0.601 44 S N 2.585 118.358 115.700 0.121 0.000 1.913 44 S HA -0.016 4.455 4.470 0.001 0.000 0.231 44 S C 1.560 176.175 174.600 0.025 0.000 0.854 44 S CA 0.064 58.336 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 -0.108 0.000 2.546 45 I HA 0.235 4.406 4.170 0.001 0.000 0.255 45 I C 0.087 176.095 176.117 -0.183 0.000 1.163 45 I CA 0.458 61.649 61.300 -0.183 0.000 1.457 45 I CB -0.696 37.113 38.000 -0.318 0.000 1.092 45 I HN 0.158 nan 8.210 nan 0.000 0.434 46 Y N 3.268 123.585 120.300 0.028 0.000 2.393 46 Y HA 0.221 4.771 4.550 0.001 0.000 0.338 46 Y C 1.301 177.127 175.900 -0.124 0.000 1.029 46 Y CA -0.866 57.214 58.100 -0.032 0.000 1.239 46 Y CB -0.136 38.307 38.460 -0.029 0.000 1.170 46 Y HN 0.081 nan 8.280 nan 0.000 0.515 47 N N 2.113 120.839 118.700 0.045 0.000 2.515 47 N HA -0.091 4.649 4.740 0.001 0.000 0.191 47 N C 0.001 175.392 175.510 -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 38.710 38.487 -0.009 0.000 0.984 47 N HN 0.705 nan 8.380 nan 0.000 0.453 48 D N -1.695 118.621 120.400 -0.140 0.000 2.398 48 D HA 0.016 4.657 4.640 0.001 0.000 0.210 48 D C -0.111 176.091 176.300 -0.163 0.000 1.094 48 D CA -0.145 53.771 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 0.203 nan 8.370 nan 0.000 0.506 49 H N -0.759 118.385 119.070 0.123 0.000 3.022 49 H HA -0.054 4.503 4.556 0.001 0.000 0.258 49 H C 1.143 176.515 175.328 0.074 0.000 1.212 49 H CA 0.332 56.442 56.048 0.103 0.000 1.126 49 H CB -1.707 28.091 29.762 0.060 0.000 1.267 49 H HN 0.396 nan 8.280 nan 0.000 0.345 50 G N -0.246 108.589 108.800 0.059 0.000 2.356 50 G HA2 -0.188 3.773 3.960 0.001 0.000 0.296 50 G HA3 -0.188 3.773 3.960 0.001 0.000 0.296 50 G C 1.131 175.927 174.900 -0.174 0.000 1.022 50 G CA 0.802 45.800 45.100 -0.170 0.000 0.961 50 G HN 1.085 nan 8.290 nan 0.000 0.510 51 A N -0.701 122.054 122.820 -0.110 0.000 1.968 51 A HA 0.441 4.762 4.320 0.001 0.000 0.217 51 A C 2.712 180.219 177.584 -0.128 0.000 1.169 51 A CA 2.044 54.033 52.037 -0.080 0.000 0.638 51 A CB -0.462 18.511 19.000 -0.045 0.000 0.812 51 A HN 1.757 nan 8.150 nan 0.000 0.446 52 A N -0.068 122.636 122.820 -0.193 0.000 1.840 52 A HA 0.050 4.371 4.320 0.001 0.000 0.214 52 A C 2.198 179.630 177.584 -0.253 0.000 1.198 52 A CA 1.782 53.695 52.037 -0.206 0.000 0.608 52 A CB -1.182 17.685 19.000 -0.221 0.000 0.839 52 A HN 0.621 nan 8.150 nan 0.000 0.443 53 V N -0.048 119.622 119.914 -0.406 0.000 2.282 53 V HA -0.313 3.808 4.120 0.001 0.000 0.249 53 V C 2.147 178.162 176.094 -0.131 0.000 1.057 53 V CA 2.312 64.432 62.300 -0.300 0.000 1.032 53 V CB -1.319 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 -0.143 0.000 2.455 54 E HA -0.150 4.201 4.350 0.001 0.000 0.202 54 E C 1.993 178.565 176.600 -0.047 0.000 1.045 54 E CA 1.350 57.714 56.400 -0.060 0.000 0.872 54 E CB -0.096 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 0.015 114.526 114.554 -0.073 0.000 3.037 55 T HA 0.013 4.364 4.350 0.001 0.000 0.251 55 T C 1.312 175.980 174.700 -0.052 0.000 1.079 55 T CA -0.118 61.949 62.100 -0.055 0.000 1.067 55 T CB 0.213 69.048 68.868 -0.056 0.000 0.948 55 T HN 0.040 nan 8.240 nan 0.000 0.496 56 L N 1.351 122.528 121.223 -0.076 0.000 2.102 56 L HA 0.232 4.572 4.340 0.001 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 41.125 42.059 -0.271 0.000 0.921 56 L HN 0.115 nan 8.230 nan 0.000 0.444 57 M N -0.310 119.349 119.600 0.098 0.000 2.106 57 M HA -0.261 4.220 4.480 0.001 0.000 0.259 57 M C 2.191 178.540 176.300 0.081 0.000 1.068 57 M CA 1.497 56.889 55.300 0.153 0.000 1.100 57 M CB -1.254 31.426 32.600 0.134 0.000 1.351 57 M HN 0.282 nan 8.290 nan 0.000 0.404 58 K N 0.414 120.836 120.400 0.036 0.000 2.089 58 K HA -0.209 4.112 4.320 0.001 0.000 0.210 58 K C 1.735 178.349 176.600 0.022 0.000 1.048 58 K CA 1.467 57.766 56.287 0.019 0.000 0.926 58 K CB 0.071 32.574 32.500 0.004 0.000 0.714 58 K HN 0.349 nan 8.250 nan 0.000 0.448 59 E N 0.490 120.705 120.200 0.024 0.000 2.086 59 E HA -0.137 4.214 4.350 0.001 0.000 0.190 59 E C 2.031 178.665 176.600 0.056 0.000 0.975 59 E CA 0.438 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 1.680 122.954 121.223 0.085 0.000 2.265 60 L HA -0.108 4.233 4.340 0.001 0.000 0.215 60 L C 1.685 178.600 176.870 0.075 0.000 1.117 60 L CA 1.265 56.180 54.840 0.124 0.000 0.782 60 L CB -0.180 42.021 42.059 0.236 0.000 0.914 60 L HN -0.026 nan 8.230 nan 0.000 0.441 61 N N 0.229 118.949 118.700 0.034 0.000 2.083 61 N HA -0.148 4.592 4.740 0.001 0.000 0.190 61 N C 1.137 176.571 175.510 -0.127 0.000 1.047 61 N CA 1.728 54.751 53.050 -0.045 0.000 0.845 61 N CB -0.297 38.186 38.487 -0.006 0.000 1.025 61 N HN 0.391 nan 8.380 nan 0.000 0.428 62 D N 0.508 120.886 120.400 -0.036 0.000 2.392 62 D HA -0.078 4.563 4.640 0.001 0.000 0.228 62 D C -0.246 176.163 176.300 0.183 0.000 1.003 62 D CA 0.272 54.279 54.000 0.012 0.000 0.917 62 D CB -0.939 39.884 40.800 0.039 0.000 0.890 62 D HN 0.565 nan 8.370 nan 0.000 0.532 63 H N -0.553 118.522 119.070 0.007 0.000 2.400 63 H HA -0.239 4.317 4.556 0.001 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 -1.655 28.103 29.762 -0.006 0.000 1.611 63 H HN 0.398 nan 8.280 nan 0.000 0.332 64 R N 0.763 121.337 120.500 0.124 0.000 2.566 64 R HA 0.373 4.714 4.340 0.001 0.000 0.388 64 R C -0.495 175.808 176.300 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 30.867 30.300 0.035 0.000 1.459 64 R HN 0.188 nan 8.270 nan 0.000 0.553 65 L N 1.585 122.815 121.223 0.011 0.000 2.379 65 L HA 0.363 4.703 4.340 0.001 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 43.390 42.059 0.017 0.000 1.175 65 L HN 0.181 nan 8.230 nan 0.000 0.448 66 L N 2.466 123.639 121.223 -0.084 0.000 2.506 66 L HA 0.048 4.389 4.340 0.001 0.000 0.281 66 L C 0.336 177.123 176.870 -0.139 0.000 1.228 66 L CA -0.136 54.609 54.840 -0.158 0.000 0.850 66 L CB 0.444 42.405 42.059 -0.164 0.000 1.110 66 L HN 0.715 nan 8.230 nan 0.000 0.496 67 E N 3.391 123.474 120.200 -0.196 0.000 2.391 67 E HA 0.118 4.469 4.350 0.001 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 0.296 120.072 119.800 -0.040 0.000 2.318 68 Q HA 0.200 4.540 4.340 0.001 0.000 0.222 68 Q C -0.602 175.389 176.000 -0.015 0.000 1.003 68 Q CA -0.494 55.304 55.803 -0.007 0.000 0.936 68 Q CB 0.633 29.356 28.738 -0.025 0.000 1.204 68 Q HN 0.352 nan 8.270 nan 0.000 0.524 69 R N 1.355 121.863 120.500 0.013 0.000 3.127 69 R HA -0.214 4.127 4.340 0.001 0.000 0.247 69 R C -0.650 175.633 176.300 -0.027 0.000 0.896 69 R CA 0.729 56.713 56.100 -0.193 0.000 0.624 69 R CB -1.486 28.446 30.300 -0.614 0.000 1.154 69 R HN 0.548 nan 8.270 nan 0.000 0.474 70 H N -0.233 118.895 119.070 0.098 0.000 2.981 70 H HA 0.308 4.865 4.556 0.001 0.000 0.327 70 H C -0.545 174.832 175.328 0.082 0.000 1.342 70 H CA -0.515 55.530 56.048 -0.004 0.000 1.123 70 H CB 1.037 30.687 29.762 -0.185 0.000 1.851 70 H HN 0.248 nan 8.280 nan 0.000 0.531 71 W N 2.046 123.157 121.300 -0.314 0.000 2.181 71 W HA 0.520 5.181 4.660 0.001 0.000 0.415 71 W C -1.600 175.218 176.519 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 29.571 29.460 -0.105 0.000 1.425 71 W HN 0.525 nan 8.180 nan 0.000 0.713 72 Y N 1.565 122.409 120.300 0.908 0.000 2.399 72 Y HA 0.386 4.937 4.550 0.001 0.000 0.327 72 Y C -1.135 175.242 175.900 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 39.928 38.460 0.331 0.000 1.259 72 Y HN 0.594 nan 8.280 nan 0.000 0.434 73 S N 5.311 121.070 115.700 0.098 0.000 2.621 73 S HA 0.465 4.935 4.470 0.001 0.000 0.302 73 S C -0.234 173.973 174.600 -0.655 0.000 1.093 73 S CA -0.719 57.416 58.200 -0.109 0.000 1.017 73 S CB 1.841 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 0.605 121.491 121.223 -0.561 0.000 2.591 74 L HA 0.486 4.826 4.340 0.001 0.000 0.228 74 L C 0.591 177.159 176.870 -0.504 0.000 1.133 74 L CA 0.953 55.434 54.840 -0.598 0.000 0.880 74 L CB -0.699 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 -1.033 118.792 119.950 -0.208 0.000 2.743 75 F HA 0.213 4.740 4.527 0.001 0.000 0.297 75 F C 1.000 176.766 175.800 -0.057 0.000 1.131 75 F CA -0.395 57.540 58.000 -0.107 0.000 1.426 75 F CB -0.542 38.376 39.000 -0.136 0.000 1.116 75 F HN 0.088 nan 8.300 nan 0.000 0.583 76 N N 0.627 119.345 118.700 0.031 0.000 2.406 76 N HA -0.016 4.725 4.740 0.001 0.000 0.265 76 N C 1.149 176.681 175.510 0.037 0.000 1.203 76 N CA 0.290 53.376 53.050 0.061 0.000 0.945 76 N CB 0.536 39.058 38.487 0.058 0.000 1.165 76 N HN 0.098 nan 8.380 nan 0.000 0.485 77 T N 0.941 115.529 114.554 0.057 0.000 2.918 77 T HA -0.212 4.139 4.350 0.001 0.000 0.271 77 T C 1.657 176.372 174.700 0.025 0.000 1.104 77 T CA 1.048 63.176 62.100 0.046 0.000 1.114 77 T CB 0.024 68.926 68.868 0.058 0.000 0.855 77 T HN 0.499 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 0.001 0.000 0.214 78 R C 2.604 178.909 176.300 0.008 0.000 1.091 78 R CA 0.404 56.507 56.100 0.004 0.000 1.007 78 R CB -0.101 30.195 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 0.001 0.000 0.207 79 Q C 2.129 178.201 176.000 0.121 0.000 0.984 79 Q CA 1.797 57.663 55.803 0.105 0.000 0.869 79 Q CB -0.113 28.703 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 0.001 0.000 0.231 80 R C 1.973 178.215 176.300 -0.097 0.000 1.136 80 R CA 1.462 57.518 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 0.038 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 -0.209 4.112 4.320 0.001 0.000 0.209 81 K C 2.045 178.602 176.600 -0.072 0.000 1.048 81 K CA 2.331 58.578 56.287 -0.066 0.000 0.926 81 K CB -0.057 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 0.046 120.220 120.200 -0.043 0.000 2.047 82 E HA -0.174 4.176 4.350 0.001 0.000 0.191 82 E C 2.043 178.602 176.600 -0.069 0.000 0.987 82 E CA 1.077 57.446 56.400 -0.053 0.000 0.799 82 E CB -0.125 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 0.954 123.750 122.820 -0.041 0.000 1.933 83 A HA -0.149 4.171 4.320 0.001 0.000 0.218 83 A C 2.061 179.598 177.584 -0.079 0.000 1.175 83 A CA 1.014 53.026 52.037 -0.041 0.000 0.628 83 A CB -0.381 18.629 19.000 0.017 0.000 0.814 83 A HN 0.183 nan 8.150 nan 0.000 0.444 84 L N 0.047 121.168 121.223 -0.169 0.000 2.610 84 L HA 0.051 4.391 4.340 0.001 0.000 0.232 84 L C 2.284 179.074 176.870 -0.132 0.000 1.149 84 L CA 0.925 55.606 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 -3.240 116.284 119.600 -0.126 0.000 2.334 85 M HA -0.091 4.390 4.480 0.001 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 -0.588 31.928 32.600 -0.141 0.000 1.380 85 M HN 0.140 nan 8.290 nan 0.000 0.440 86 L N 0.595 121.705 121.223 -0.188 0.000 2.083 86 L HA -0.181 4.160 4.340 0.001 0.000 0.209 86 L C 2.665 179.431 176.870 -0.173 0.000 1.083 86 L CA 1.604 56.309 54.840 -0.225 0.000 0.752 86 L CB -0.371 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 -0.230 4.298 4.527 0.001 0.000 0.298 87 F C 2.292 177.950 175.800 -0.237 0.000 1.104 87 F CA 1.573 59.421 58.000 -0.253 0.000 1.232 87 F CB -0.529 38.295 39.000 -0.293 0.000 0.987 87 F HN 0.041 nan 8.300 nan 0.000 0.475 88 A N -0.403 122.171 122.820 -0.410 0.000 2.225 88 A HA 0.021 4.342 4.320 0.001 0.000 0.215 88 A C 2.111 179.495 177.584 -0.334 0.000 1.164 88 A CA 1.480 53.250 52.037 -0.445 0.000 0.710 88 A CB -1.118 17.771 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 0.001 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 31.033 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 -0.279 0.000 2.198 90 L HA -0.311 4.029 4.340 0.001 0.000 0.218 90 L C 2.064 178.751 176.870 -0.305 0.000 1.084 90 L CA 2.563 57.100 54.840 -0.504 0.000 0.779 90 L CB -1.245 40.415 42.059 -0.665 0.000 0.890 90 L HN 0.519 nan 8.230 nan 0.000 0.439 91 N N -0.334 118.165 118.700 -0.335 0.000 2.120 91 N HA -0.190 4.550 4.740 0.001 0.000 0.188 91 N C 1.260 176.739 175.510 -0.051 0.000 1.024 91 N CA 1.466 54.355 53.050 -0.268 0.000 0.852 91 N CB -0.093 38.027 38.487 -0.612 0.000 1.003 91 N HN 0.687 nan 8.380 nan 0.000 0.424 92 Q N -0.497 119.280 119.800 -0.038 0.000 2.296 92 Q HA 0.240 4.580 4.340 0.001 0.000 0.273 92 Q C -0.562 175.546 176.000 0.180 0.000 0.900 92 Q CA -0.237 55.608 55.803 0.071 0.000 0.993 92 Q CB -0.270 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 4.760 4.570 0.001 0.000 0.392 93 c C 1.326 175.508 174.090 0.153 0.000 1.269 93 c CA -0.292 56.137 56.329 0.166 0.000 2.250 93 c CB 0.924 43.564 42.510 0.218 0.000 2.584 93 c HN 0.624 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 0.001 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 0.081 0.000 0.761 94 K HN 0.624 nan 8.250 nan 0.000 0.459 95 E N -2.195 118.112 120.200 0.179 0.000 2.456 95 E HA 0.020 4.371 4.350 0.001 0.000 0.278 95 E C -0.407 176.393 176.600 0.333 0.000 1.034 95 E CA -0.629 55.917 56.400 0.243 0.000 0.846 95 E CB 0.222 30.049 29.700 0.213 0.000 1.460 95 E HN 0.036 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 4.319 4.660 0.001 0.000 0.318 96 W C 1.770 178.352 176.519 0.105 0.000 1.248 96 W CA 2.160 59.532 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 0.728 121.137 120.300 0.183 0.000 2.173 97 Y HA -0.387 4.163 4.550 0.001 0.000 0.282 97 Y C 2.594 178.514 175.900 0.034 0.000 1.192 97 Y CA 2.326 60.479 58.100 0.089 0.000 1.176 97 Y CB -1.253 37.270 38.460 0.103 0.000 0.969 97 Y HN 0.041 nan 8.280 nan 0.000 0.519 98 c N -0.815 117.652 118.600 -0.222 0.000 2.485 98 c HA -0.007 4.563 4.570 0.001 0.000 0.277 98 c C 2.493 176.463 174.090 -0.200 0.000 1.376 98 c CA 0.345 56.499 56.329 -0.293 0.000 1.759 98 c CB -1.981 40.410 42.510 -0.197 0.000 1.970 98 c HN 0.600 nan 8.230 nan 0.000 0.509 99 F N 1.745 121.480 119.950 -0.360 0.000 2.053 99 F HA 0.126 4.654 4.527 0.001 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 -0.298 119.891 120.500 -0.519 0.000 2.113 100 R HA -0.198 4.143 4.340 0.001 0.000 0.244 100 R C 2.407 178.485 176.300 -0.371 0.000 1.142 100 R CA 1.699 57.543 56.100 -0.426 0.000 0.953 100 R CB -0.944 29.119 30.300 -0.394 0.000 0.860 100 R HN 0.221 nan 8.270 nan 0.000 0.438 101 S N 0.718 116.091 115.700 -0.546 0.000 2.369 101 S HA -0.202 4.268 4.470 0.001 0.000 0.225 101 S C 1.559 175.641 174.600 -0.864 0.000 1.043 101 S CA 2.049 59.658 58.200 -0.984 0.000 1.074 101 S CB -0.400 61.887 63.200 -1.521 0.000 0.962 101 S HN 0.402 nan 8.310 nan 0.000 0.433 102 N N 1.374 119.714 118.700 -0.600 0.000 2.039 102 N HA 0.035 4.775 4.740 0.001 0.000 0.193 102 N C 0.804 176.317 175.510 0.005 0.000 1.044 102 N CA 1.057 53.999 53.050 -0.181 0.000 0.847 102 N CB -0.229 38.292 38.487 0.057 0.000 1.030 102 N HN 0.363 nan 8.380 nan 0.000 0.422 103 A N -0.656 122.146 122.820 -0.029 0.000 3.030 103 A HA 0.593 4.913 4.320 0.001 0.000 0.273 103 A C 0.567 178.196 177.584 0.076 0.000 1.841 103 A CA 0.604 52.763 52.037 0.203 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 0.357 123.150 122.820 -0.045 0.000 2.665 104 A HA 0.149 4.469 4.320 0.001 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 -0.139 0.000 1.829 104 A HN 0.800 nan 8.150 nan 0.000 0.825 105 Y N 0.780 120.887 120.300 -0.322 0.000 2.069 105 Y HA -0.262 4.289 4.550 0.001 0.000 0.278 105 Y C 1.976 177.606 175.900 -0.450 0.000 1.175 105 Y CA 3.095 60.948 58.100 -0.411 0.000 1.134 105 Y CB -0.396 37.727 38.460 -0.562 0.000 0.965 105 Y HN 0.332 nan 8.280 nan 0.000 0.498 106 F N -0.068 119.879 119.950 -0.005 0.000 2.098 106 F HA -0.078 4.449 4.527 0.001 0.000 0.294 106 F C 2.703 178.324 175.800 -0.298 0.000 1.107 106 F CA 1.666 59.623 58.000 -0.071 0.000 1.234 106 F CB -1.099 37.965 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 -0.361 0.000 2.208 107 R HA -0.277 4.064 4.340 0.001 0.000 0.262 107 R C 1.746 177.700 176.300 -0.576 0.000 1.166 107 R CA 2.216 57.669 56.100 -1.079 0.000 0.987 107 R CB -0.562 29.093 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 -0.067 4.284 4.350 0.001 0.000 0.195 108 E C 1.125 177.583 176.600 -0.235 0.000 1.029 108 E CA 0.868 57.103 56.400 -0.275 0.000 0.865 108 E CB 0.192 29.737 29.700 -0.257 0.000 0.833 108 E HN 0.519 nan 8.360 nan 0.000 0.510 109 R N -1.617 118.755 120.500 -0.213 0.000 2.538 109 R HA 0.300 4.640 4.340 0.001 0.000 0.372 109 R C 0.155 176.439 176.300 -0.026 0.000 0.950 109 R CA -0.177 55.848 56.100 -0.124 0.000 1.168 109 R CB 0.226 30.427 30.300 -0.165 0.000 1.542 109 R HN 0.025 nan 8.270 nan 0.000 0.536 110 M N 1.720 121.321 119.600 0.001 0.000 2.654 110 M HA 0.282 4.763 4.480 0.001 0.000 0.310 110 M C -0.167 176.139 176.300 0.010 0.000 1.211 110 M CA -0.829 54.498 55.300 0.045 0.000 0.947 110 M CB 1.848 34.517 32.600 0.116 0.000 1.647 110 M HN 0.028 nan 8.290 nan 0.000 0.481 111 N N 1.201 119.909 118.700 0.014 0.000 2.415 111 N HA -0.024 4.716 4.740 0.001 0.000 0.248 111 N C 0.276 175.823 175.510 0.061 0.000 1.271 111 N CA 0.478 53.544 53.050 0.028 0.000 0.913 111 N CB 0.883 39.379 38.487 0.014 0.000 1.129 111 N HN 0.554 nan 8.380 nan 0.000 0.444 112 E N 1.325 121.586 120.200 0.102 0.000 2.118 112 E HA -0.102 4.249 4.350 0.001 0.000 0.195 112 E C 1.584 178.241 176.600 0.095 0.000 0.992 112 E CA 1.750 58.223 56.400 0.122 0.000 0.804 112 E CB -0.301 29.482 29.700 0.139 0.000 0.741 112 E HN 0.808 nan 8.360 nan 0.000 0.458 113 G N 0.555 109.345 108.800 -0.015 0.000 2.426 113 G HA2 -0.171 3.790 3.960 0.001 0.000 0.214 113 G HA3 -0.171 3.790 3.960 0.001 0.000 0.214 113 G C 1.278 175.769 174.900 -0.681 0.000 1.156 113 G CA 0.148 45.102 45.100 -0.243 0.000 0.802 113 G HN 0.141 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 4.230 4.350 0.001 0.000 0.192 114 E C 2.078 178.606 176.600 -0.120 0.000 0.991 114 E CA 0.804 56.920 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 4.294 4.527 0.001 0.000 0.296 115 F C 2.295 178.100 175.800 0.008 0.000 1.122 115 F CA 1.106 59.080 58.000 -0.044 0.000 1.201 115 F CB -0.547 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 3.745 4.120 0.001 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 -1.182 30.660 31.823 0.032 0.000 0.645 116 V HN 0.556 nan 8.190 nan 0.000 0.447 117 Y N 1.051 121.278 120.300 -0.122 0.000 2.128 117 Y HA -0.243 4.308 4.550 0.001 0.000 0.284 117 Y C 2.370 178.244 175.900 -0.044 0.000 1.154 117 Y CA 1.841 59.912 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 -0.091 122.724 122.820 -0.009 0.000 1.898 118 A HA -0.173 4.148 4.320 0.001 0.000 0.216 118 A C 2.186 179.676 177.584 -0.157 0.000 1.181 118 A CA 1.618 53.611 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 0.001 0.000 0.210 119 L C 2.297 179.138 176.870 -0.048 0.000 1.076 119 L CA 1.982 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 -1.191 118.997 120.300 -0.187 0.000 2.114 120 Y HA -0.200 4.350 4.550 0.001 0.000 0.284 120 Y C 2.617 178.458 175.900 -0.098 0.000 1.143 120 Y CA 1.788 59.813 58.100 -0.124 0.000 1.135 120 Y CB -0.941 37.429 38.460 -0.150 0.000 0.980 120 Y HN -0.040 nan 8.280 nan 0.000 0.499 121 V N -0.980 118.930 119.914 -0.006 0.000 2.392 121 V HA -0.311 3.809 4.120 0.001 0.000 0.249 121 V C 2.260 178.513 176.094 0.265 0.000 1.059 121 V CA 2.212 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 -0.742 115.138 115.700 0.301 0.000 2.368 122 S HA -0.145 4.325 4.470 0.001 0.000 0.224 122 S C 1.968 176.803 174.600 0.393 0.000 1.029 122 S CA 1.373 59.817 58.200 0.407 0.000 0.988 122 S CB -0.099 63.174 63.200 0.122 0.000 0.838 122 S HN 0.377 nan 8.310 nan 0.000 0.462 123 V N 2.447 122.542 119.914 0.303 0.000 2.295 123 V HA -0.165 3.955 4.120 0.001 0.000 0.246 123 V C 2.058 178.219 176.094 0.111 0.000 1.049 123 V CA 1.534 63.986 62.300 0.253 0.000 1.024 123 V CB -0.611 31.289 31.823 0.128 0.000 0.648 123 V HN 0.459 nan 8.190 nan 0.000 0.447 124 I N -0.740 119.833 120.570 0.006 0.000 2.163 124 I HA -0.269 3.902 4.170 0.001 0.000 0.243 124 I C 2.417 178.316 176.117 -0.363 0.000 1.085 124 I CA 1.758 62.951 61.300 -0.178 0.000 1.347 124 I CB -0.614 37.211 38.000 -0.291 0.000 1.044 124 I HN 0.433 nan 8.210 nan 0.000 0.408 125 H N -0.619 118.483 119.070 0.054 0.000 2.516 125 H HA 0.168 4.725 4.556 0.001 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 0.168 30.187 29.762 0.428 0.000 1.452 125 H HN 0.172 nan 8.280 nan 0.000 0.530 126 S N 1.792 117.672 115.700 0.300 0.000 2.564 126 S HA 0.012 4.482 4.470 0.001 0.000 0.278 126 S C 1.482 176.178 174.600 0.160 0.000 1.333 126 S CA -0.747 57.619 58.200 0.277 0.000 1.048 126 S CB 0.942 64.361 63.200 0.364 0.000 0.900 126 S HN 0.248 nan 8.310 nan 0.000 0.505 127 K N 3.986 124.490 120.400 0.173 0.000 2.059 127 K HA -0.183 4.138 4.320 0.001 0.000 0.212 127 K C 1.663 178.352 176.600 0.148 0.000 1.050 127 K CA 1.470 57.852 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 1.111 122.436 121.223 0.172 0.000 2.675 128 L HA -0.004 4.337 4.340 0.001 0.000 0.238 128 L C 1.274 178.147 176.870 0.004 0.000 1.155 128 L CA 0.388 55.300 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 -2.052 106.772 108.800 0.041 0.000 4.547 129 G HA2 0.023 3.984 3.960 0.001 0.000 0.301 129 G HA3 0.023 3.984 3.960 0.001 0.000 0.301 129 G C 0.499 175.376 174.900 -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 -0.111 4.530 4.640 0.001 0.000 0.196 130 D C 2.604 178.855 176.300 -0.081 0.000 0.985 130 D CA 1.628 55.601 54.000 -0.044 0.000 0.834 130 D CB -0.133 40.644 40.800 -0.037 0.000 0.987 130 D HN 0.331 nan 8.370 nan 0.000 0.452 131 G N 1.162 109.885 108.800 -0.128 0.000 2.485 131 G HA2 -0.184 3.776 3.960 0.001 0.000 0.221 131 G HA3 -0.184 3.776 3.960 0.001 0.000 0.221 131 G C 1.069 175.909 174.900 -0.100 0.000 1.115 131 G CA 0.378 45.409 45.100 -0.115 0.000 0.751 131 G HN 0.260 nan 8.290 nan 0.000 0.567 132 I N 0.483 120.983 120.570 -0.117 0.000 2.696 132 I HA 0.215 4.385 4.170 0.001 0.000 0.284 132 I C -0.132 175.955 176.117 -0.050 0.000 1.129 132 I CA -0.483 60.765 61.300 -0.087 0.000 1.410 132 I CB 1.521 39.465 38.000 -0.093 0.000 1.399 132 I HN -0.267 nan 8.210 nan 0.000 0.579 133 V N 6.791 126.681 119.914 -0.041 0.000 2.398 133 V HA 0.345 4.466 4.120 0.001 0.000 0.286 133 V C 0.171 176.219 176.094 -0.076 0.000 1.026 133 V CA -0.620 61.661 62.300 -0.030 0.000 0.868 133 V CB 1.513 33.325 31.823 -0.019 0.000 0.982 133 V HN 0.448 nan 8.190 nan 0.000 0.443 134 L N 6.944 128.099 121.223 -0.113 0.000 2.350 134 L HA 0.406 4.747 4.340 0.001 0.000 0.275 134 L C -2.064 174.743 176.870 -0.105 0.000 1.099 134 L CA -1.621 53.096 54.840 -0.205 0.000 0.808 134 L CB 1.273 43.073 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 -2.532 174.663 177.300 -0.176 0.000 1.211 135 P CA -0.723 62.308 63.100 -0.116 0.000 0.781 135 P CB -0.150 31.285 31.700 -0.442 0.000 0.877 136 P HA 0.167 nan 4.420 nan 0.000 0.282 136 P C 0.870 177.789 177.300 -0.635 0.000 1.262 136 P CA -0.066 62.689 63.100 -0.575 0.000 0.773 136 P CB 0.362 31.286 31.700 -1.294 0.000 0.879 137 L N 3.324 124.276 121.223 -0.452 0.000 2.034 137 L HA -0.311 4.029 4.340 0.001 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 -1.069 40.814 42.059 -0.294 0.000 0.890 137 L HN 0.519 nan 8.230 nan 0.000 0.435 138 Y N 0.059 119.727 120.300 -1.053 0.000 2.228 138 Y HA -0.313 4.237 4.550 0.001 0.000 0.285 138 Y C 2.362 178.076 175.900 -0.311 0.000 1.178 138 Y CA 1.520 59.014 58.100 -1.011 0.000 1.202 138 Y CB -1.331 36.487 38.460 -1.070 0.000 0.974 138 Y HN 0.450 nan 8.280 nan 0.000 0.527 139 Q N -0.888 118.796 119.800 -0.193 0.000 2.373 139 Q HA 0.074 4.415 4.340 0.001 0.000 0.210 139 Q C 1.796 177.787 176.000 -0.014 0.000 0.913 139 Q CA 0.471 56.322 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 0.001 0.000 0.245 140 I C 1.333 177.484 176.117 0.058 0.000 1.104 140 I CA 1.526 62.743 61.300 -0.137 0.000 1.397 140 I CB -0.511 37.374 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 0.110 0.000 3.418 141 T HA 0.389 4.739 4.350 0.001 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 1.265 70.311 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 1.331 178.763 177.300 0.221 0.000 1.158 142 P CA 0.542 63.801 63.100 0.266 0.000 0.769 142 P CB -0.051 31.786 31.700 0.230 0.000 0.807 143 H N -1.618 117.607 119.070 0.258 0.000 2.495 143 H HA 0.087 4.643 4.556 0.001 0.000 0.287 143 H C 1.378 176.828 175.328 0.202 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 -0.511 119.310 119.600 0.369 0.000 2.556 144 M HA 0.019 4.500 4.480 0.001 0.000 0.245 144 M C 0.621 176.921 176.300 -0.000 0.000 1.128 144 M CA 0.607 55.986 55.300 0.132 0.000 1.069 144 M CB -0.382 32.257 32.600 0.065 0.000 1.469 144 M HN 0.143 nan 8.290 nan 0.000 0.494 145 F N -1.513 118.455 119.950 0.030 0.000 2.784 145 F HA 0.245 4.773 4.527 0.001 0.000 0.316 145 F C 1.026 176.828 175.800 0.004 0.000 1.026 145 F CA -0.432 57.553 58.000 -0.024 0.000 1.188 145 F CB -0.521 38.438 39.000 -0.069 0.000 0.999 145 F HN -0.204 nan 8.300 nan 0.000 0.605 146 T N 0.875 115.588 114.554 0.264 0.000 2.928 146 T HA 0.221 4.572 4.350 0.001 0.000 0.284 146 T C 0.228 174.992 174.700 0.107 0.000 1.008 146 T CA -0.489 61.748 62.100 0.228 0.000 1.057 146 T CB 1.292 70.279 68.868 0.199 0.000 1.018 146 T HN -0.113 nan 8.240 nan 0.000 0.493 147 N N 0.367 119.116 118.700 0.081 0.000 2.179 147 N HA -0.031 4.710 4.740 0.001 0.000 0.219 147 N C 1.290 176.801 175.510 0.001 0.000 1.352 147 N CA 0.460 53.531 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 4.567 4.470 0.001 0.000 0.215 148 S C 1.282 175.827 174.600 -0.090 0.000 1.009 148 S CA -0.166 58.017 58.200 -0.027 0.000 0.908 148 S CB -0.133 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 4.319 4.350 0.001 0.000 0.189 149 E C 1.774 178.248 176.600 -0.210 0.000 0.974 149 E CA 0.918 57.238 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 0.260 nan 8.360 nan 0.000 0.451 150 V N 2.054 121.870 119.914 -0.163 0.000 2.568 150 V HA -0.248 3.872 4.120 0.001 0.000 0.253 150 V C 2.455 178.370 176.094 -0.298 0.000 1.072 150 V CA 0.977 63.143 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 0.191 120.599 120.570 -0.270 0.000 2.252 151 I HA -0.159 4.012 4.170 0.001 0.000 0.245 151 I C 2.133 177.897 176.117 -0.588 0.000 1.102 151 I CA 1.575 62.627 61.300 -0.412 0.000 1.385 151 I CB -1.007 36.752 38.000 -0.401 0.000 1.064 151 I HN 0.326 nan 8.210 nan 0.000 0.414 152 D N 0.455 120.594 120.400 -0.435 0.000 2.219 152 D HA -0.127 4.514 4.640 0.001 0.000 0.205 152 D C 2.145 178.225 176.300 -0.366 0.000 0.970 152 D CA 0.792 54.552 54.000 -0.399 0.000 0.851 152 D CB 0.022 40.699 40.800 -0.205 0.000 0.943 152 D HN 0.330 nan 8.370 nan 0.000 0.488 153 K N 0.318 120.409 120.400 -0.514 0.000 2.217 153 K HA 0.058 4.379 4.320 0.001 0.000 0.202 153 K C 1.935 178.155 176.600 -0.633 0.000 1.051 153 K CA 0.818 56.624 56.287 -0.802 0.000 0.952 153 K CB 0.109 31.669 32.500 -1.568 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 4.219 4.320 0.001 0.000 0.217 154 A C 1.632 179.293 177.584 0.129 0.000 1.162 154 A CA 0.815 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 0.036 120.331 120.300 -0.009 0.000 2.293 155 Y HA -0.053 4.498 4.550 0.001 0.000 0.291 155 Y C 2.918 178.830 175.900 0.019 0.000 1.137 155 Y CA 0.627 58.738 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 0.129 0.000 2.377 156 S HA -0.052 4.418 4.470 0.001 0.000 0.223 156 S C 2.335 177.008 174.600 0.121 0.000 1.030 156 S CA 0.711 58.970 58.200 0.098 0.000 0.970 156 S CB -0.472 62.753 63.200 0.043 0.000 0.830 156 S HN 0.457 nan 8.310 nan 0.000 0.473 157 A N 2.279 125.197 122.820 0.165 0.000 1.863 157 A HA -0.265 4.056 4.320 0.001 0.000 0.218 157 A C 2.040 179.706 177.584 0.138 0.000 1.233 157 A CA 2.257 54.412 52.037 0.198 0.000 0.655 157 A CB -0.942 18.230 19.000 0.286 0.000 0.839 157 A HN 0.359 nan 8.150 nan 0.000 0.454 158 K N -0.181 120.311 120.400 0.153 0.000 2.034 158 K HA -0.188 4.133 4.320 0.001 0.000 0.214 158 K C 2.095 178.749 176.600 0.090 0.000 1.051 158 K CA 2.402 58.761 56.287 0.121 0.000 0.931 158 K CB -0.711 31.873 32.500 0.140 0.000 0.715 158 K HN 0.647 nan 8.250 nan 0.000 0.446 159 M N -0.135 119.520 119.600 0.091 0.000 2.088 159 M HA -0.192 4.288 4.480 0.001 0.000 0.256 159 M C 2.083 178.415 176.300 0.052 0.000 1.071 159 M CA 2.640 57.977 55.300 0.061 0.000 1.097 159 M CB -1.250 31.385 32.600 0.058 0.000 1.315 159 M HN 0.335 nan 8.290 nan 0.000 0.406 160 T N -2.531 112.058 114.554 0.059 0.000 3.148 160 T HA 0.022 4.373 4.350 0.001 0.000 0.253 160 T C 0.793 175.521 174.700 0.046 0.000 1.134 160 T CA 0.133 62.262 62.100 0.048 0.000 1.051 160 T CB -0.086 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 0.030 119.862 119.800 0.053 0.000 2.494 161 Q HA -0.177 4.164 4.340 0.001 0.000 0.266 161 Q C -0.232 175.790 176.000 0.037 0.000 1.053 161 Q CA 1.024 56.852 55.803 0.043 0.000 1.029 161 Q CB -1.682 27.075 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 4.876 4.320 0.001 0.000 0.257 162 K C -2.764 173.858 176.600 0.036 0.000 0.939 162 K CA -1.847 54.459 56.287 0.032 0.000 0.809 162 K CB 2.248 34.769 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 62.824 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 -1.568 107.108 108.800 -0.207 0.000 2.348 164 G HA2 0.295 4.255 3.960 0.001 0.000 0.606 164 G HA3 0.295 4.255 3.960 0.001 0.000 0.606 164 G C -0.799 173.649 174.900 -0.755 0.000 1.466 164 G CA -0.403 44.465 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 5.111 4.350 0.001 0.000 0.292 165 T C -0.155 174.118 174.700 -0.712 0.000 0.980 165 T CA -0.397 61.325 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 2.072 121.955 119.950 -0.112 0.000 2.492 166 F HA 0.533 5.060 4.527 0.001 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 1.362 120.100 118.700 0.063 0.000 2.434 167 N HA 0.419 5.160 4.740 0.001 0.000 0.272 167 N C -0.666 174.816 175.510 -0.046 0.000 1.040 167 N CA -0.405 52.610 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 0.227 120.093 119.914 -0.080 0.000 2.997 168 V HA 0.477 4.598 4.120 0.001 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 0.014 0.000 1.081 168 V HN 0.689 nan 8.190 nan 0.000 0.467 169 S N 0.927 116.572 115.700 -0.092 0.000 2.387 169 S HA 0.375 4.845 4.470 0.001 0.000 0.221 169 S C 0.153 174.699 174.600 -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 1.212 nan 8.310 nan 0.000 0.488 170 F N -0.014 119.962 119.950 0.044 0.000 2.183 170 F HA -0.092 4.435 4.527 0.001 0.000 0.318 170 F C 0.982 176.802 175.800 0.034 0.000 1.062 170 F CA -0.459 57.572 58.000 0.052 0.000 0.912 170 F CB -1.266 37.771 39.000 0.062 0.000 4.133 170 F HN 0.132 nan 8.300 nan 0.000 0.138 171 T N 1.746 116.460 114.554 0.265 0.000 2.688 171 T HA 0.290 4.640 4.350 0.001 0.000 0.237 171 T C 1.323 176.065 174.700 0.070 0.000 1.120 171 T CA 1.203 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 0.785 109.624 108.800 0.064 0.000 2.486 172 G HA2 0.259 4.220 3.960 0.001 0.000 0.272 172 G HA3 0.259 4.220 3.960 0.001 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 1.897 116.484 114.554 0.056 0.000 3.474 173 T HA 0.163 4.513 4.350 0.001 0.000 0.270 173 T C 0.670 175.412 174.700 0.070 0.000 1.079 173 T CA -0.129 62.004 62.100 0.056 0.000 1.110 173 T CB -0.053 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 -0.067 4.254 4.320 0.001 0.000 0.278 174 K C 0.476 177.128 176.600 0.086 0.000 0.981 174 K CA 0.416 56.767 56.287 0.106 0.000 1.009 174 K CB 0.294 32.882 32.500 0.148 0.000 0.895 174 K HN 0.692 nan 8.250 nan 0.000 0.493 175 K N 2.179 122.631 120.400 0.087 0.000 4.326 175 K HA -0.260 4.061 4.320 0.001 0.000 0.299 175 K C -0.204 176.433 176.600 0.063 0.000 1.005 175 K CA 1.195 57.527 56.287 0.076 0.000 0.935 175 K CB -1.985 30.559 32.500 0.072 0.000 1.551 175 K HN 0.998 nan 8.250 nan 0.000 0.438 176 N N -1.229 117.508 118.700 0.062 0.000 2.466 176 N HA -0.059 4.682 4.740 0.001 0.000 0.331 176 N C 0.275 175.818 175.510 0.056 0.000 1.149 176 N CA 0.199 53.280 53.050 0.053 0.000 2.034 176 N CB 0.485 39.000 38.487 0.047 0.000 2.182 176 N HN 0.430 nan 8.380 nan 0.000 1.142 177 R N 0.748 121.287 120.500 0.064 0.000 2.400 177 R HA 0.371 4.711 4.340 0.001 0.000 0.112 177 R C -0.359 175.977 176.300 0.059 0.000 1.488 177 R CA 0.198 56.335 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 4.439 4.350 0.001 0.000 0.132 178 E C -0.767 175.860 176.600 0.045 0.000 0.907 178 E CA -0.132 56.294 56.400 0.042 0.000 1.491 178 E CB 0.376 30.102 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 4.649 4.340 0.001 0.000 0.371 179 Q C 0.273 176.291 176.000 0.030 0.000 1.071 179 Q CA -0.033 55.794 55.803 0.040 0.000 1.064 179 Q CB 1.062 29.846 28.738 0.077 0.000 1.332 179 Q HN 0.401 nan 8.270 nan 0.000 0.445 180 R N -1.111 119.398 120.500 0.015 0.000 2.636 180 R HA 0.132 4.473 4.340 0.001 0.000 0.259 180 R C 0.205 176.541 176.300 0.060 0.000 0.970 180 R CA 0.182 56.319 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 0.084 nan 8.270 nan 0.000 0.527 181 V N 1.190 121.062 119.914 -0.070 0.000 2.988 181 V HA 0.471 4.592 4.120 0.001 0.000 0.356 181 V C 1.005 176.874 176.094 -0.376 0.000 1.380 181 V CA 0.603 62.746 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 0.464 123.104 122.820 -0.299 0.000 1.902 182 A HA -0.190 4.131 4.320 0.001 0.000 0.217 182 A C 1.848 179.140 177.584 -0.486 0.000 1.181 182 A CA 2.171 53.994 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 -2.344 117.624 120.300 -0.553 0.000 2.298 183 Y HA -0.189 4.362 4.550 0.001 0.000 0.287 183 Y C 1.906 177.821 175.900 0.025 0.000 1.164 183 Y CA 1.224 59.150 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 1.557 121.073 119.950 -0.723 0.000 2.147 184 F HA 0.212 4.740 4.527 0.001 0.000 0.291 184 F C 2.460 178.156 175.800 -0.173 0.000 1.093 184 F CA 1.549 59.301 58.000 -0.412 0.000 1.263 184 F CB -0.734 37.930 39.000 -0.560 0.000 1.036 184 F HN 0.056 nan 8.300 nan 0.000 0.481 185 G N -0.586 108.255 108.800 0.069 0.000 2.422 185 G HA2 -0.200 3.760 3.960 0.001 0.000 0.218 185 G HA3 -0.200 3.760 3.960 0.001 0.000 0.218 185 G C 1.391 176.250 174.900 -0.068 0.000 1.140 185 G CA 0.599 45.721 45.100 0.037 0.000 0.775 185 G HN 0.456 nan 8.290 nan 0.000 0.545 186 E N 0.276 120.450 120.200 -0.042 0.000 2.489 186 E HA 0.018 4.368 4.350 0.001 0.000 0.193 186 E C 0.044 176.668 176.600 0.040 0.000 1.057 186 E CA -0.412 55.996 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 0.956 121.343 120.400 -0.022 0.000 2.389 187 D HA -0.031 4.609 4.640 0.001 0.000 0.247 187 D C 1.246 177.513 176.300 -0.055 0.000 1.128 187 D CA -0.195 53.791 54.000 -0.023 0.000 0.884 187 D CB 1.044 41.807 40.800 -0.062 0.000 1.194 187 D HN 0.130 nan 8.370 nan 0.000 0.441 188 I N 1.180 121.681 120.570 -0.114 0.000 3.176 188 I HA 0.154 4.324 4.170 0.001 0.000 0.275 188 I C 1.574 177.662 176.117 -0.048 0.000 1.298 188 I CA 0.523 61.749 61.300 -0.122 0.000 1.445 188 I CB 0.036 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 0.825 109.568 108.800 -0.094 0.000 2.441 189 G HA2 0.026 3.987 3.960 0.001 0.000 0.212 189 G HA3 0.026 3.987 3.960 0.001 0.000 0.212 189 G C 1.535 176.456 174.900 0.035 0.000 1.164 189 G CA 0.210 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 0.903 120.472 119.600 -0.051 0.000 2.193 190 M HA 0.021 4.501 4.480 0.001 0.000 0.265 190 M C 2.207 178.536 176.300 0.049 0.000 1.071 190 M CA 0.843 56.112 55.300 -0.051 0.000 1.140 190 M CB -1.054 31.366 32.600 -0.301 0.000 1.369 190 M HN 0.302 nan 8.290 nan 0.000 0.423 191 N N 0.502 119.218 118.700 0.027 0.000 2.149 191 N HA -0.153 4.588 4.740 0.001 0.000 0.188 191 N C 1.679 177.341 175.510 0.252 0.000 1.019 191 N CA 0.824 53.924 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 3.895 4.170 0.001 0.000 0.235 192 I C 2.421 178.703 176.117 0.275 0.000 1.053 192 I CA 1.640 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 0.484 119.642 119.070 0.146 0.000 2.330 193 H HA -0.298 4.259 4.556 0.001 0.000 0.290 193 H C 2.467 177.928 175.328 0.222 0.000 1.111 193 H CA 2.651 58.791 56.048 0.153 0.000 1.226 193 H CB -0.748 29.068 29.762 0.090 0.000 1.355 193 H HN 0.489 nan 8.280 nan 0.000 0.485 194 H N -0.737 118.262 119.070 -0.118 0.000 2.289 194 H HA -0.166 4.390 4.556 0.001 0.000 0.296 194 H C 2.503 177.833 175.328 0.002 0.000 1.091 194 H CA 2.202 58.120 56.048 -0.217 0.000 1.274 194 H CB -0.124 29.522 29.762 -0.194 0.000 1.364 194 H HN 0.402 nan 8.280 nan 0.000 0.490 195 V N -0.124 119.852 119.914 0.104 0.000 2.307 195 V HA -0.187 3.934 4.120 0.001 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 -0.851 113.801 114.554 0.163 0.000 2.665 196 T HA -0.296 4.055 4.350 0.001 0.000 0.268 196 T C 1.306 176.052 174.700 0.076 0.000 1.035 196 T CA 2.249 64.424 62.100 0.126 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 2.028 123.313 121.300 -0.024 0.000 2.290 197 W HA -0.244 4.417 4.660 0.001 0.000 0.323 197 W C 1.887 178.401 176.519 -0.009 0.000 1.260 197 W CA 1.596 58.914 57.345 -0.043 0.000 1.266 197 W CB -0.364 28.945 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 4.687 4.556 0.001 0.000 0.297 198 H C 1.273 176.595 175.328 -0.011 0.000 1.071 198 H CA 1.037 57.141 56.048 0.092 0.000 1.182 198 H CB -0.269 29.430 29.762 -0.105 0.000 1.343 198 H HN 0.371 nan 8.280 nan 0.000 0.582 199 M N -1.260 118.323 119.600 -0.029 0.000 2.312 199 M HA 0.015 4.496 4.480 0.001 0.000 0.260 199 M C 1.064 177.261 176.300 -0.171 0.000 1.253 199 M CA 0.203 55.476 55.300 -0.045 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 0.501 120.677 120.400 -0.373 0.000 2.084 200 D HA -0.007 4.633 4.640 0.001 0.000 0.196 200 D C -0.314 175.319 176.300 -1.111 0.000 0.985 200 D CA 1.510 55.068 54.000 -0.737 0.000 0.826 200 D CB 0.235 40.539 40.800 -0.827 0.000 0.978 200 D HN 0.191 nan 8.370 nan 0.000 0.456 201 F N 0.504 120.013 119.950 -0.736 0.000 2.552 201 F HA 0.375 4.902 4.527 0.001 0.000 0.369 201 F C -2.324 173.104 175.800 -0.621 0.000 1.112 201 F CA -2.504 55.037 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 -0.429 0.000 1.238 202 P CA -0.496 62.207 63.100 -0.662 0.000 0.794 202 P CB 0.627 31.406 31.700 -1.536 0.000 0.955 203 F N 1.489 121.382 119.950 -0.095 0.000 2.216 203 F HA -0.053 4.475 4.527 0.001 0.000 0.300 203 F C 1.425 177.256 175.800 0.052 0.000 1.085 203 F CA 0.386 58.413 58.000 0.045 0.000 1.326 203 F CB -1.573 37.557 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 -0.068 0.000 3.405 204 W HA 0.128 4.789 4.660 0.001 0.000 0.300 204 W C 0.517 177.161 176.519 0.207 0.000 1.286 204 W CA -1.306 56.092 57.345 0.088 0.000 1.762 204 W CB -1.268 28.154 29.460 -0.063 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 4.843 4.660 0.001 0.000 0.327 205 W C -0.534 176.126 176.519 0.236 0.000 1.361 205 W CA 0.512 57.898 57.345 0.068 0.000 1.234 205 W CB 0.714 29.955 29.460 -0.366 0.000 1.212 205 W HN 0.016 nan 8.180 nan 0.000 0.557 206 E N 3.085 123.091 120.200 -0.324 0.000 2.235 206 E HA 0.058 4.408 4.350 0.001 0.000 0.265 206 E C -0.349 175.928 176.600 -0.538 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 -0.414 0.000 1.206 206 E HN 0.328 nan 8.360 nan 0.000 0.409 207 D N 0.133 120.398 120.400 -0.225 0.000 2.324 207 D HA -0.002 4.639 4.640 0.001 0.000 0.235 207 D C 0.815 176.988 176.300 -0.212 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 -0.161 115.308 115.700 -0.386 0.000 2.414 208 S HA -0.107 4.363 4.470 0.001 0.000 0.227 208 S C 1.123 175.535 174.600 -0.313 0.000 1.022 208 S CA 0.312 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 1.734 121.772 120.300 -0.436 0.000 2.651 209 Y HA 0.111 4.661 4.550 0.001 0.000 0.293 209 Y C 2.097 177.871 175.900 -0.212 0.000 1.151 209 Y CA 0.346 58.169 58.100 -0.462 0.000 1.362 209 Y CB -0.766 37.212 38.460 -0.804 0.000 0.973 209 Y HN 0.420 nan 8.280 nan 0.000 0.561 210 G N -2.326 106.475 108.800 0.001 0.000 2.901 210 G HA2 -0.105 3.855 3.960 0.001 0.000 0.194 210 G HA3 -0.105 3.855 3.960 0.001 0.000 0.194 210 G C -0.241 174.947 174.900 0.480 0.000 1.020 210 G CA -0.152 45.116 45.100 0.281 0.000 0.787 210 G HN 0.387 nan 8.290 nan 0.000 0.477 211 Y N -1.064 119.522 120.300 0.476 0.000 2.871 211 Y HA 0.813 5.363 4.550 0.001 0.000 0.331 211 Y C -0.847 175.433 175.900 0.633 0.000 1.378 211 Y CA -1.318 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 0.697 120.082 119.070 0.525 0.000 2.589 212 H HA 0.672 5.229 4.556 0.001 0.000 0.351 212 H C -1.824 173.758 175.328 0.422 0.000 1.074 212 H CA -0.874 55.470 56.048 0.493 0.000 1.203 212 H CB 1.311 31.274 29.762 0.336 0.000 1.558 212 H HN 0.695 nan 8.280 nan 0.000 0.522 213 L N 4.772 126.030 121.223 0.058 0.000 2.380 213 L HA 0.061 4.401 4.340 0.001 0.000 0.273 213 L C 1.382 178.330 176.870 0.130 0.000 1.138 213 L CA 0.388 55.283 54.840 0.091 0.000 0.832 213 L CB 0.727 42.724 42.059 -0.105 0.000 1.124 213 L HN 0.877 nan 8.230 nan 0.000 0.454 214 D N 1.812 122.421 120.400 0.349 0.000 2.120 214 D HA -0.166 4.474 4.640 0.001 0.000 0.191 214 D C 1.267 177.734 176.300 0.278 0.000 0.994 214 D CA 1.793 56.032 54.000 0.398 0.000 0.838 214 D CB 0.282 41.251 40.800 0.281 0.000 0.976 214 D HN 0.432 nan 8.370 nan 0.000 0.447 215 R N -0.497 120.057 120.500 0.090 0.000 2.690 215 R HA 0.171 4.511 4.340 0.001 0.000 0.419 215 R C -0.516 175.769 176.300 -0.026 0.000 1.090 215 R CA -0.259 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 0.067 120.416 120.400 -0.086 0.000 2.453 216 K HA 0.178 4.499 4.320 0.001 0.000 0.280 216 K C 0.726 177.336 176.600 0.016 0.000 1.045 216 K CA 0.665 56.865 56.287 -0.144 0.000 1.059 216 K CB 0.852 33.247 32.500 -0.176 0.000 0.901 216 K HN 0.355 nan 8.250 nan 0.000 0.475 217 G N 3.031 111.890 108.800 0.099 0.000 3.957 217 G HA2 -0.197 3.764 3.960 0.001 0.000 0.131 217 G HA3 -0.197 3.764 3.960 0.001 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 4.408 4.350 0.001 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 0.001 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 -0.632 119.338 119.950 0.033 0.000 2.095 220 F HA -0.337 4.191 4.527 0.001 0.000 0.298 220 F C 2.482 178.188 175.800 -0.156 0.000 1.104 220 F CA 1.537 59.489 58.000 -0.079 0.000 1.232 220 F CB -0.518 38.489 39.000 0.012 0.000 0.987 220 F HN 0.188 nan 8.300 nan 0.000 0.475 221 F N 0.852 120.727 119.950 -0.126 0.000 2.041 221 F HA -0.377 4.150 4.527 0.001 0.000 0.296 221 F C 2.317 177.950 175.800 -0.277 0.000 1.147 221 F CA 2.345 59.962 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 4.422 4.660 0.001 0.000 0.318 222 W C 2.336 178.511 176.519 -0.574 0.000 1.227 222 W CA 2.257 59.079 57.345 -0.871 0.000 1.269 222 W CB -0.552 28.627 29.460 -0.467 0.000 1.155 222 W HN -0.027 nan 8.180 nan 0.000 0.484 223 V N 0.419 120.031 119.914 -0.503 0.000 2.392 223 V HA -0.338 3.782 4.120 0.001 0.000 0.249 223 V C 1.803 177.430 176.094 -0.778 0.000 1.059 223 V CA 2.403 64.238 62.300 -0.775 0.000 1.051 223 V CB -1.172 29.889 31.823 -1.271 0.000 0.658 223 V HN 0.209 nan 8.190 nan 0.000 0.455 224 H N -1.883 116.772 119.070 -0.690 0.000 2.502 224 H HA -0.033 4.524 4.556 0.001 0.000 0.283 224 H C 2.208 177.341 175.328 -0.324 0.000 1.015 224 H CA 1.269 57.034 56.048 -0.472 0.000 1.298 224 H CB -0.225 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 0.621 119.407 119.070 -0.473 0.000 2.423 225 H HA -0.080 4.476 4.556 0.001 0.000 0.297 225 H C 1.563 176.538 175.328 -0.588 0.000 1.075 225 H CA 1.045 56.776 56.048 -0.528 0.000 1.342 225 H CB 0.461 29.723 29.762 -0.834 0.000 1.395 225 H HN 0.435 nan 8.280 nan 0.000 0.530 226 Q N -0.112 119.185 119.800 -0.839 0.000 2.020 226 Q HA -0.107 4.234 4.340 0.001 0.000 0.198 226 Q C 2.494 178.252 176.000 -0.404 0.000 0.974 226 Q CA 1.049 56.392 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 0.098 121.156 121.223 -0.275 0.000 2.042 227 L HA -0.187 4.153 4.340 0.001 0.000 0.210 227 L C 2.369 179.259 176.870 0.033 0.000 1.076 227 L CA 1.877 56.721 54.840 0.006 0.000 0.749 227 L CB -1.255 40.862 42.059 0.097 0.000 0.893 227 L HN 0.217 nan 8.230 nan 0.000 0.432 228 T N -0.636 113.904 114.554 -0.023 0.000 2.881 228 T HA -0.144 4.206 4.350 0.001 0.000 0.270 228 T C 1.959 176.626 174.700 -0.055 0.000 1.068 228 T CA 1.111 63.258 62.100 0.078 0.000 1.131 228 T CB -0.320 68.616 68.868 0.114 0.000 0.871 228 T HN 0.415 nan 8.240 nan 0.000 0.479 229 A N 2.150 124.811 122.820 -0.265 0.000 1.855 229 A HA -0.022 4.298 4.320 0.001 0.000 0.213 229 A C 2.386 179.850 177.584 -0.201 0.000 1.195 229 A CA 0.933 52.813 52.037 -0.261 0.000 0.610 229 A CB -0.442 18.305 19.000 -0.421 0.000 0.837 229 A HN 0.406 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 0.001 0.000 0.240 230 R C 2.006 178.049 176.300 -0.429 0.000 1.139 230 R CA 1.793 57.816 56.100 -0.129 0.000 0.952 230 R CB -0.703 29.603 30.300 0.011 0.000 0.854 230 R HN 0.555 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 0.001 0.000 0.297 231 F C 1.806 177.195 175.800 -0.685 0.000 1.113 231 F CA 1.685 59.010 58.000 -1.125 0.000 1.218 231 F CB -0.321 37.915 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 4.425 4.640 0.001 0.000 0.195 232 D C 2.277 178.265 176.300 -0.520 0.000 0.997 232 D CA 1.364 55.089 54.000 -0.458 0.000 0.840 232 D CB -0.575 40.107 40.800 -0.196 0.000 0.947 232 D HN 0.257 nan 8.370 nan 0.000 0.452 233 F N 1.767 121.440 119.950 -0.462 0.000 2.095 233 F HA -0.149 4.378 4.527 0.001 0.000 0.298 233 F C 2.380 177.907 175.800 -0.455 0.000 1.104 233 F CA 1.067 58.812 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 0.366 120.364 120.200 -0.336 0.000 2.118 234 E HA -0.250 4.101 4.350 0.001 0.000 0.195 234 E C 2.075 178.430 176.600 -0.409 0.000 0.992 234 E CA 1.580 57.772 56.400 -0.347 0.000 0.804 234 E CB -0.580 28.871 29.700 -0.414 0.000 0.741 234 E HN 0.569 nan 8.360 nan 0.000 0.458 235 R N 0.375 120.513 120.500 -0.603 0.000 2.237 235 R HA -0.015 4.326 4.340 0.001 0.000 0.219 235 R C 2.250 178.333 176.300 -0.362 0.000 1.080 235 R CA 0.520 56.313 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 1.342 122.368 121.223 -0.328 0.000 2.005 236 L HA -0.062 4.279 4.340 0.001 0.000 0.207 236 L C 1.868 178.508 176.870 -0.383 0.000 1.072 236 L CA 1.833 56.514 54.840 -0.265 0.000 0.744 236 L CB -0.453 41.522 42.059 -0.141 0.000 0.895 236 L HN 0.138 nan 8.230 nan 0.000 0.433 237 S N -0.076 115.426 115.700 -0.331 0.000 2.493 237 S HA -0.079 4.391 4.470 0.001 0.000 0.243 237 S C 1.070 175.232 174.600 -0.730 0.000 0.991 237 S CA 0.843 58.750 58.200 -0.488 0.000 0.957 237 S CB -0.538 62.507 63.200 -0.259 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 4.873 4.740 0.001 0.000 0.260 238 N C -0.823 174.416 175.510 -0.452 0.000 1.191 238 N CA -0.130 52.578 53.050 -0.570 0.000 0.885 238 N CB 0.169 38.536 38.487 -0.200 0.000 1.162 238 N HN 0.552 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 -0.246 4.414 4.660 0.001 0.000 0.291 239 W C -0.222 176.275 176.519 -0.036 0.000 1.105 239 W CA -0.205 57.127 57.345 -0.021 0.000 0.612 239 W CB -2.270 27.187 29.460 -0.005 0.000 2.140 239 W HN 0.071 nan 8.180 nan 0.000 1.420 240 L N 0.680 121.874 121.223 -0.049 0.000 2.400 240 L HA 0.467 4.808 4.340 0.001 0.000 0.264 240 L C 0.888 177.715 176.870 -0.071 0.000 1.061 240 L CA -0.777 54.036 54.840 -0.045 0.000 0.799 240 L CB 0.518 42.504 42.059 -0.121 0.000 1.240 240 L HN -0.226 nan 8.230 nan 0.000 0.461 241 D N 0.444 120.815 120.400 -0.049 0.000 2.175 241 D HA 0.314 4.954 4.640 0.001 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 1.714 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 4.308 4.120 0.001 0.000 0.297 243 V C 0.099 176.238 176.094 0.075 0.000 1.060 243 V CA -0.859 61.494 62.300 0.089 0.000 1.038 243 V CB 0.538 32.470 31.823 0.183 0.000 1.003 243 V HN 0.420 nan 8.190 nan 0.000 0.481 244 D N 1.827 122.254 120.400 0.046 0.000 2.449 244 D HA 0.113 4.754 4.640 0.001 0.000 0.236 244 D C 0.106 176.390 176.300 -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 0.949 121.105 120.200 -0.073 0.000 2.313 245 E HA 0.292 4.642 4.350 0.001 0.000 0.272 245 E C -0.761 175.643 176.600 -0.326 0.000 1.038 245 E CA -0.880 55.451 56.400 -0.115 0.000 0.863 245 E CB 1.095 30.762 29.700 -0.055 0.000 1.060 245 E HN 0.453 nan 8.360 nan 0.000 0.402 246 L N 3.699 124.686 121.223 -0.394 0.000 2.371 246 L HA 0.310 4.650 4.340 0.001 0.000 0.272 246 L C -1.162 175.200 176.870 -0.846 0.000 1.124 246 L CA -0.085 54.414 54.840 -0.568 0.000 0.816 246 L CB 0.623 42.337 42.059 -0.574 0.000 1.129 246 L HN 0.613 nan 8.230 nan 0.000 0.448 247 H N 1.736 120.599 119.070 -0.344 0.000 2.771 247 H HA 0.333 4.890 4.556 0.001 0.000 0.367 247 H C -0.761 174.272 175.328 -0.492 0.000 1.172 247 H CA -0.473 55.358 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 0.057 121.336 121.300 -0.035 0.000 2.770 248 W HA 0.052 4.713 4.660 0.001 0.000 0.256 248 W C 0.462 176.967 176.519 -0.023 0.000 1.291 248 W CA 0.430 57.637 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 -0.726 119.804 120.400 0.218 0.000 2.328 249 D HA 0.020 4.661 4.640 0.001 0.000 0.226 249 D C 0.976 177.404 176.300 0.214 0.000 1.066 249 D CA 0.218 54.335 54.000 0.194 0.000 0.861 249 D CB 0.040 40.917 40.800 0.128 0.000 0.912 249 D HN -0.104 nan 8.370 nan 0.000 0.521 250 R N 0.599 121.234 120.500 0.225 0.000 2.970 250 R HA 0.558 4.899 4.340 0.001 0.000 0.240 250 R C 0.556 176.941 176.300 0.141 0.000 1.280 250 R CA -1.028 55.195 56.100 0.206 0.000 1.065 250 R CB 0.771 31.187 30.300 0.193 0.000 1.306 250 R HN 0.077 nan 8.270 nan 0.000 0.500 251 I N -0.614 119.953 120.570 -0.006 0.000 2.945 251 I HA 0.305 4.475 4.170 0.001 0.000 0.292 251 I C 0.486 176.542 176.117 -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 -0.316 0.000 1.435 251 I HN 0.258 nan 8.210 nan 0.000 0.593 252 I N 3.238 123.708 120.570 -0.167 0.000 2.281 252 I HA 0.255 4.425 4.170 0.001 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 0.522 38.354 38.000 -0.281 0.000 1.430 252 I HN 0.730 nan 8.210 nan 0.000 0.489 253 R N 2.830 123.277 120.500 -0.089 0.000 2.070 253 R HA -0.132 4.208 4.340 0.001 0.000 0.232 253 R C 0.488 176.759 176.300 -0.049 0.000 1.138 253 R CA 1.354 57.417 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 0.988 121.162 120.200 -0.045 0.000 1.861 254 E HA 0.170 4.521 4.350 0.001 0.000 0.263 254 E C -0.708 175.877 176.600 -0.024 0.000 1.137 254 E CA -0.170 56.216 56.400 -0.022 0.000 0.944 254 E CB 0.524 30.218 29.700 -0.009 0.000 1.092 254 E HN 0.302 nan 8.360 nan 0.000 0.420 255 G N 2.398 111.197 108.800 -0.001 0.000 2.477 255 G HA2 0.520 4.480 3.960 0.001 0.000 0.304 255 G HA3 0.520 4.480 3.960 0.001 0.000 0.304 255 G C -0.885 174.117 174.900 0.170 0.000 1.175 255 G CA -0.513 44.611 45.100 0.039 0.000 0.907 255 G HN 0.357 nan 8.290 nan 0.000 0.509 256 F N -0.657 119.278 119.950 -0.025 0.000 2.650 256 F HA 0.881 5.408 4.527 0.001 0.000 0.320 256 F C -0.606 175.189 175.800 -0.010 0.000 1.091 256 F CA -3.101 54.893 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 -0.347 0.000 2.330 257 A HA 0.720 5.040 4.320 0.001 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 1.213 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 0.070 nan 4.420 nan 0.000 0.239 258 P C 0.339 177.434 177.300 -0.343 0.000 1.188 258 P CA 0.151 62.733 63.100 -0.863 0.000 0.794 258 P CB 0.099 31.462 31.700 -0.561 0.000 0.937 259 L N -0.622 120.477 121.223 -0.207 0.000 4.137 259 L HA -0.155 4.186 4.340 0.001 0.000 0.421 259 L C 0.066 176.931 176.870 -0.008 0.000 1.162 259 L CA 1.049 55.842 54.840 -0.079 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 -0.764 113.822 114.554 0.055 0.000 2.925 260 T HA 0.724 5.074 4.350 0.001 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 2.050 70.910 68.868 -0.013 0.000 1.037 260 T HN 0.174 nan 8.240 nan 0.000 0.481 261 S N 0.497 116.406 115.700 0.347 0.000 2.570 261 S HA 0.589 5.059 4.470 0.001 0.000 0.286 261 S C -1.197 173.524 174.600 0.202 0.000 1.099 261 S CA -0.702 57.648 58.200 0.249 0.000 0.913 261 S CB 0.963 64.260 63.200 0.162 0.000 1.085 261 S HN 0.564 nan 8.310 nan 0.000 0.480 262 Y N 1.682 121.874 120.300 -0.181 0.000 2.260 262 Y HA 0.251 4.801 4.550 0.001 0.000 0.339 262 Y C 1.830 177.571 175.900 -0.265 0.000 1.317 262 Y CA 0.207 58.195 58.100 -0.187 0.000 1.514 262 Y CB 0.542 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 0.341 120.589 120.400 -0.253 0.000 2.029 263 K HA -0.047 4.274 4.320 0.001 0.000 0.205 263 K C -0.739 175.508 176.600 -0.588 0.000 1.042 263 K CA 1.141 56.893 56.287 -0.891 0.000 0.949 263 K CB -0.150 31.575 32.500 -1.292 0.000 0.740 263 K HN 0.542 nan 8.250 nan 0.000 0.442 264 Y N -0.825 119.435 120.300 -0.066 0.000 2.341 264 Y HA 0.404 4.955 4.550 0.001 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 1.876 40.351 38.460 0.025 0.000 1.194 264 Y HN 0.481 nan 8.280 nan 0.000 0.462 265 G N 0.468 109.332 108.800 0.106 0.000 3.435 265 G HA2 0.324 4.285 3.960 0.001 0.000 0.197 265 G HA3 0.324 4.285 3.960 0.001 0.000 0.197 265 G C 0.209 175.013 174.900 -0.160 0.000 1.497 265 G CA 0.010 45.066 45.100 -0.073 0.000 1.043 265 G HN 1.666 nan 8.290 nan 0.000 0.466 266 G N -0.443 108.309 108.800 -0.081 0.000 2.354 266 G HA2 0.374 4.335 3.960 0.001 0.000 0.582 266 G HA3 0.374 4.335 3.960 0.001 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 0.638 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 0.001 0.000 0.263 267 E C -0.109 176.501 176.600 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 30.425 29.700 0.045 0.000 1.008 267 E HN 0.279 nan 8.360 nan 0.000 0.420 268 F N 3.470 123.499 119.950 0.132 0.000 2.623 268 F HA -0.006 4.521 4.527 0.001 0.000 0.383 268 F C -1.339 174.490 175.800 0.048 0.000 1.077 268 F CA -0.957 57.122 58.000 0.132 0.000 1.268 268 F CB -0.176 38.876 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 0.059 0.000 0.951 270 V N 1.126 121.067 119.914 0.045 0.000 3.234 270 V HA 0.671 4.792 4.120 0.001 0.000 0.317 270 V C -0.557 175.575 176.094 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 1.942 122.492 120.500 0.084 0.000 2.514 271 R HA 0.500 4.841 4.340 0.001 0.000 0.296 271 R C -2.411 173.908 176.300 0.032 0.000 1.012 271 R CA -1.292 54.835 56.100 0.044 0.000 0.897 271 R CB 2.269 32.591 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 1.193 64.292 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 -0.954 119.432 120.400 -0.023 0.000 8.719 273 D HA -0.152 4.489 4.640 0.001 0.000 0.263 273 D C -0.576 175.698 176.300 -0.043 0.000 2.428 273 D CA 0.300 54.284 54.000 -0.026 0.000 2.301 273 D CB -1.497 39.305 40.800 0.003 0.000 0.911 273 D HN 0.111 nan 8.370 nan 0.000 0.614 274 N N 0.801 119.461 118.700 -0.067 0.000 2.754 274 N HA -0.241 4.500 4.740 0.001 0.000 0.248 274 N C 0.182 175.603 175.510 -0.149 0.000 1.093 274 N CA 1.106 54.099 53.050 -0.093 0.000 0.699 274 N CB -1.332 37.126 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 4.230 4.170 0.001 0.000 0.294 275 I C 0.812 176.734 176.117 -0.325 0.000 1.045 275 I CA -0.218 60.979 61.300 -0.172 0.000 1.340 275 I CB 0.639 38.547 38.000 -0.153 0.000 1.436 275 I HN 0.073 nan 8.210 nan 0.000 0.567 276 H N 4.213 123.289 119.070 0.009 0.000 2.467 276 H HA 0.277 4.833 4.556 0.001 0.000 0.326 276 H C -0.902 174.484 175.328 0.097 0.000 1.094 276 H CA -0.304 55.791 56.048 0.077 0.000 1.253 276 H CB 0.976 30.799 29.762 0.101 0.000 1.439 276 H HN 0.295 nan 8.280 nan 0.000 0.479 277 F N 2.690 122.760 119.950 0.199 0.000 2.571 277 F HA -0.025 4.502 4.527 0.001 0.000 0.390 277 F C 0.989 176.889 175.800 0.167 0.000 1.043 277 F CA 0.723 58.821 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 2.199 122.572 120.200 0.288 0.000 2.222 278 E HA 0.078 4.429 4.350 0.001 0.000 0.272 278 E C -0.933 175.824 176.600 0.262 0.000 0.982 278 E CA -1.008 55.553 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 1.421 121.974 120.400 0.255 0.000 2.434 279 D HA 0.021 4.662 4.640 0.001 0.000 0.252 279 D C -1.055 175.354 176.300 0.181 0.000 1.185 279 D CA 0.220 54.338 54.000 0.196 0.000 0.886 279 D CB 0.685 41.624 40.800 0.232 0.000 1.148 279 D HN 0.046 nan 8.370 nan 0.000 0.483 280 V N 4.068 124.028 119.914 0.076 0.000 2.347 280 V HA 0.276 4.397 4.120 0.001 0.000 0.280 280 V C -0.816 175.273 176.094 -0.009 0.000 1.021 280 V CA -0.926 61.398 62.300 0.040 0.000 0.847 280 V CB 1.243 33.073 31.823 0.011 0.000 0.990 280 V HN 0.407 nan 8.190 nan 0.000 0.444 281 D N 5.190 125.624 120.400 0.056 0.000 2.458 281 D HA 0.408 5.049 4.640 0.001 0.000 0.243 281 D C 1.235 177.524 176.300 -0.019 0.000 1.146 281 D CA 1.187 55.192 54.000 0.008 0.000 0.877 281 D CB 1.221 42.056 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 3.627 3.960 0.001 0.000 0.224 282 G HA3 -0.334 3.627 3.960 0.001 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 4.850 4.120 0.001 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 -0.035 31.773 31.823 -0.026 0.000 0.707 283 V HN 2.123 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 4.802 4.320 0.001 0.000 0.298 284 A C -1.056 176.444 177.584 -0.139 0.000 0.987 284 A CA -0.722 51.240 52.037 -0.125 0.000 0.678 284 A CB 0.124 19.079 19.000 -0.075 0.000 1.296 284 A HN 0.347 nan 8.150 nan 0.000 0.420 285 H N 0.366 119.412 119.070 -0.041 0.000 2.852 285 H HA 0.192 4.748 4.556 0.001 0.000 0.362 285 H C 1.563 176.848 175.328 -0.071 0.000 1.122 285 H CA 1.186 57.220 56.048 -0.023 0.000 1.419 285 H CB 1.397 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 2.482 122.480 119.914 0.141 0.000 2.719 286 V HA -0.197 3.924 4.120 0.001 0.000 0.252 286 V C 2.038 178.040 176.094 -0.153 0.000 1.065 286 V CA 1.644 63.901 62.300 -0.071 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 0.356 119.359 119.070 -0.111 0.000 2.524 287 H HA -0.073 4.484 4.556 0.001 0.000 0.282 287 H C 1.820 177.048 175.328 -0.167 0.000 1.016 287 H CA 1.072 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 -0.477 119.845 120.400 -0.130 0.000 2.263 288 D HA -0.110 4.531 4.640 0.001 0.000 0.208 288 D C 1.932 178.048 176.300 -0.308 0.000 0.971 288 D CA 0.712 54.608 54.000 -0.172 0.000 0.867 288 D CB 0.103 40.889 40.800 -0.023 0.000 0.929 288 D HN 0.436 nan 8.370 nan 0.000 0.492 289 L N 0.012 120.941 121.223 -0.490 0.000 2.116 289 L HA 0.015 4.355 4.340 0.001 0.000 0.200 289 L C 2.292 178.863 176.870 -0.497 0.000 1.084 289 L CA 0.512 54.954 54.840 -0.663 0.000 0.766 289 L CB -0.463 40.763 42.059 -1.387 0.000 0.930 289 L HN -0.115 nan 8.230 nan 0.000 0.453 290 E N 0.848 120.728 120.200 -0.534 0.000 2.095 290 E HA -0.295 4.055 4.350 0.001 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 -0.960 119.379 120.570 -0.385 0.000 2.179 291 I HA -0.203 3.968 4.170 0.001 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 1.259 115.707 114.554 -0.178 0.000 2.597 292 T HA -0.301 4.049 4.350 0.001 0.000 0.267 292 T C 1.829 176.484 174.700 -0.075 0.000 1.053 292 T CA 2.522 64.546 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 -0.176 4.175 4.350 0.001 0.000 0.199 293 E C 1.972 178.612 176.600 0.067 0.000 1.004 293 E CA 1.620 58.051 56.400 0.051 0.000 0.819 293 E CB -0.059 29.768 29.700 0.212 0.000 0.738 293 E HN 0.540 nan 8.360 nan 0.000 0.478 294 S N 0.084 115.802 115.700 0.030 0.000 2.421 294 S HA 0.040 4.511 4.470 0.001 0.000 0.224 294 S C 1.835 176.457 174.600 0.038 0.000 1.035 294 S CA 0.469 58.704 58.200 0.057 0.000 0.953 294 S CB -0.100 63.110 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 0.001 0.000 0.239 295 R C 1.958 178.293 176.300 0.057 0.000 1.135 295 R CA 1.179 57.243 56.100 -0.060 0.000 0.967 295 R CB -0.559 29.477 30.300 -0.441 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 3.878 4.170 0.001 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 -0.093 4.463 4.556 0.001 0.000 0.281 297 H C 1.844 177.126 175.328 -0.076 0.000 1.028 297 H CA 0.913 56.885 56.048 -0.127 0.000 1.199 297 H CB 0.162 29.869 29.762 -0.092 0.000 1.352 297 H HN 0.506 nan 8.280 nan 0.000 0.605 298 E N -0.876 119.384 120.200 0.101 0.000 2.460 298 E HA 0.120 4.470 4.350 0.001 0.000 0.200 298 E C 1.938 178.583 176.600 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 0.151 0.000 0.953 298 E HN 0.353 nan 8.360 nan 0.000 0.494 299 A N 0.918 123.726 122.820 -0.021 0.000 1.861 299 A HA -0.027 4.293 4.320 0.001 0.000 0.212 299 A C 1.995 179.538 177.584 -0.069 0.000 1.199 299 A CA 0.594 52.583 52.037 -0.080 0.000 0.613 299 A CB -0.461 18.468 19.000 -0.119 0.000 0.846 299 A HN 0.241 nan 8.150 nan 0.000 0.446 300 I N 0.447 120.963 120.570 -0.090 0.000 2.145 300 I HA -0.307 3.863 4.170 0.001 0.000 0.244 300 I C 1.658 177.771 176.117 -0.007 0.000 1.075 300 I CA 1.761 63.038 61.300 -0.039 0.000 1.332 300 I CB -0.558 37.389 38.000 -0.087 0.000 1.033 300 I HN 0.221 nan 8.210 nan 0.000 0.410 301 D N -0.573 119.832 120.400 0.008 0.000 2.219 301 D HA -0.133 4.507 4.640 0.001 0.000 0.205 301 D C 2.104 178.357 176.300 -0.079 0.000 0.970 301 D CA 1.083 55.065 54.000 -0.029 0.000 0.851 301 D CB -0.245 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 0.001 0.000 0.303 302 H C 1.586 176.698 175.328 -0.360 0.000 1.068 302 H CA 1.442 57.243 56.048 -0.412 0.000 1.359 302 H CB 0.741 29.885 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 3.771 3.960 0.001 0.000 0.194 303 G HA3 -0.189 3.771 3.960 0.001 0.000 0.194 303 G C -0.422 174.564 174.900 0.144 0.000 0.999 303 G CA 0.144 45.278 45.100 0.055 0.000 0.669 303 G HN 0.472 nan 8.290 nan 0.000 0.482 304 Y N -0.343 120.052 120.300 0.157 0.000 2.576 304 Y HA 0.857 5.407 4.550 0.001 0.000 0.346 304 Y C -0.303 175.640 175.900 0.072 0.000 1.018 304 Y CA -2.773 55.389 58.100 0.104 0.000 1.050 304 Y CB 0.918 39.439 38.460 0.102 0.000 1.280 304 Y HN 0.101 nan 8.280 nan 0.000 0.474 305 I N 1.911 122.660 120.570 0.297 0.000 2.488 305 I HA 0.426 4.597 4.170 0.001 0.000 0.299 305 I C -0.042 176.293 176.117 0.364 0.000 0.984 305 I CA -0.573 60.869 61.300 0.237 0.000 1.250 305 I CB 2.014 40.086 38.000 0.120 0.000 1.389 305 I HN 0.886 nan 8.210 nan 0.000 0.488 306 T N 2.444 117.266 114.554 0.445 0.000 2.779 306 T HA 0.422 4.773 4.350 0.001 0.000 0.280 306 T C -0.448 174.383 174.700 0.218 0.000 0.987 306 T CA -0.914 61.345 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 3.062 123.546 120.400 0.141 0.000 2.469 307 D HA 0.293 4.934 4.640 0.001 0.000 0.278 307 D C 1.425 177.711 176.300 -0.024 0.000 1.231 307 D CA -0.599 53.459 54.000 0.096 0.000 1.075 307 D CB -0.202 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 -0.907 114.763 115.700 -0.050 0.000 2.419 308 S HA -0.131 4.340 4.470 0.001 0.000 0.235 308 S C 0.974 175.468 174.600 -0.175 0.000 1.019 308 S CA 1.257 59.399 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 -0.039 120.193 120.400 -0.279 0.000 2.327 309 D HA 0.204 4.845 4.640 0.001 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 -0.931 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 3.776 3.960 0.001 0.000 0.164 310 G HA3 -0.184 3.776 3.960 0.001 0.000 0.164 310 G C -0.244 174.629 174.900 -0.045 0.000 1.009 310 G CA -0.577 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 1.471 120.518 119.070 -0.038 0.000 2.646 311 H HA 0.448 5.004 4.556 0.001 0.000 0.325 311 H C 0.835 176.126 175.328 -0.061 0.000 1.075 311 H CA 0.404 56.426 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 4.709 4.350 0.001 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 0.474 68.959 68.868 -0.638 0.000 0.917 312 T HN 0.431 nan 8.240 nan 0.000 0.484 313 I N 0.912 121.543 120.570 0.101 0.000 2.330 313 I HA 0.461 4.631 4.170 0.001 0.000 0.289 313 I C -0.214 175.999 176.117 0.161 0.000 1.001 313 I CA -0.738 60.630 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 6.560 127.046 120.400 0.142 0.000 2.372 314 D HA 0.151 4.791 4.640 0.001 0.000 0.243 314 D C 0.511 176.913 176.300 0.170 0.000 1.121 314 D CA 0.006 54.115 54.000 0.183 0.000 0.898 314 D CB 1.244 42.129 40.800 0.141 0.000 1.202 314 D HN 0.827 nan 8.370 nan 0.000 0.428 315 I N 0.122 120.813 120.570 0.203 0.000 3.994 315 I HA 0.305 4.476 4.170 0.001 0.000 0.323 315 I C 0.380 176.704 176.117 0.346 0.000 1.501 315 I CA -0.618 60.814 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 3.346 124.017 120.500 0.285 0.000 4.518 316 R HA 0.342 4.682 4.340 0.001 0.000 0.243 316 R C -0.466 175.921 176.300 0.145 0.000 1.720 316 R CA 0.097 56.403 56.100 0.342 0.000 1.526 316 R CB -0.281 30.163 30.300 0.240 0.000 1.425 316 R HN 0.769 nan 8.270 nan 0.000 0.787 317 Q N -1.752 118.138 119.800 0.151 0.000 2.782 317 Q HA 0.355 4.695 4.340 0.001 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 30.191 28.738 0.033 0.000 1.454 317 Q HN -0.085 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 1.070 64.233 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 0.001 0.000 0.194 319 K C 2.155 178.843 176.600 0.146 0.000 1.033 319 K CA 0.589 56.954 56.287 0.130 0.000 1.004 319 K CB -1.160 31.408 32.500 0.113 0.000 0.798 319 K HN 0.117 nan 8.250 nan 0.000 0.495 320 G N 2.115 111.031 108.800 0.194 0.000 2.875 320 G HA2 -0.335 3.626 3.960 0.001 0.000 0.220 320 G HA3 -0.335 3.626 3.960 0.001 0.000 0.220 320 G C 1.434 176.380 174.900 0.076 0.000 1.293 320 G CA 1.107 46.345 45.100 0.230 0.000 0.789 320 G HN 0.414 nan 8.290 nan 0.000 0.677 321 I N 1.850 122.490 120.570 0.116 0.000 2.597 321 I HA -0.236 3.934 4.170 0.001 0.000 0.262 321 I C 2.820 178.971 176.117 0.057 0.000 1.194 321 I CA 2.303 63.601 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 0.459 120.715 120.200 0.095 0.000 2.057 322 E HA -0.132 4.218 4.350 0.001 0.000 0.190 322 E C 2.079 178.746 176.600 0.111 0.000 0.969 322 E CA 0.508 56.981 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 1.001 122.281 121.223 0.095 0.000 2.189 323 L HA -0.172 4.168 4.340 0.001 0.000 0.214 323 L C 2.552 179.430 176.870 0.014 0.000 1.097 323 L CA 1.026 55.910 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 -0.173 121.033 121.223 -0.028 0.000 2.141 324 L HA -0.084 4.257 4.340 0.001 0.000 0.209 324 L C 2.510 179.419 176.870 0.065 0.000 1.094 324 L CA 1.157 55.949 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 -1.204 107.726 108.800 0.217 0.000 2.572 325 G HA2 -0.175 3.785 3.960 0.001 0.000 0.216 325 G HA3 -0.175 3.785 3.960 0.001 0.000 0.216 325 G C 1.002 175.902 174.900 -0.001 0.000 1.133 325 G CA 0.241 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 0.636 121.058 120.400 0.035 0.000 2.194 326 D HA -0.062 4.579 4.640 0.001 0.000 0.204 326 D C 2.604 178.903 176.300 -0.002 0.000 0.964 326 D CA 0.694 54.715 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 0.583 nan 8.370 nan 0.000 0.490 327 I N -1.998 118.550 120.570 -0.036 0.000 2.480 327 I HA -0.027 4.144 4.170 0.001 0.000 0.251 327 I C 2.054 178.106 176.117 -0.109 0.000 1.124 327 I CA 0.685 61.945 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 1.948 122.419 120.570 -0.165 0.000 2.333 328 I HA -0.181 3.989 4.170 0.001 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 -0.179 0.000 1.411 328 I CB -0.519 37.303 38.000 -0.296 0.000 1.082 328 I HN 0.428 nan 8.210 nan 0.000 0.420 329 E N 1.966 121.940 120.200 -0.376 0.000 2.158 329 E HA -0.127 4.224 4.350 0.001 0.000 0.191 329 E C 0.590 177.136 176.600 -0.090 0.000 0.982 329 E CA 0.934 57.059 56.400 -0.458 0.000 0.823 329 E CB 0.156 29.122 29.700 -1.223 0.000 0.766 329 E HN 0.375 nan 8.360 nan 0.000 0.468 330 S N -0.131 115.507 115.700 -0.102 0.000 3.131 330 S HA -0.134 4.336 4.470 0.001 0.000 0.767 330 S C -0.257 174.371 174.600 0.046 0.000 0.744 330 S CA 0.173 58.364 58.200 -0.016 0.000 1.466 330 S CB -2.027 61.191 63.200 0.029 0.000 1.035 330 S HN 0.790 nan 8.310 nan 0.000 0.730 331 S N 3.281 119.019 115.700 0.064 0.000 2.801 331 S HA 0.720 5.190 4.470 0.001 0.000 0.312 331 S C 0.573 175.281 174.600 0.179 0.000 1.112 331 S CA -0.865 57.421 58.200 0.143 0.000 0.943 331 S CB 1.064 64.283 63.200 0.032 0.000 1.269 331 S HN 0.731 nan 8.310 nan 0.000 0.558 332 K N -0.172 120.361 120.400 0.221 0.000 2.476 332 K HA 0.098 4.418 4.320 0.001 0.000 0.196 332 K C -0.002 176.847 176.600 0.414 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 1.225 121.596 120.300 0.117 0.000 2.490 333 Y HA 0.126 4.676 4.550 0.001 0.000 0.281 333 Y C 1.102 177.063 175.900 0.102 0.000 1.174 333 Y CA -1.011 57.156 58.100 0.112 0.000 1.295 333 Y CB -0.166 38.360 38.460 0.111 0.000 1.062 333 Y HN -0.137 nan 8.280 nan 0.000 0.522 334 S N 0.142 115.981 115.700 0.231 0.000 2.558 334 S HA -0.031 4.440 4.470 0.001 0.000 0.291 334 S C 1.424 176.123 174.600 0.166 0.000 1.306 334 S CA 0.444 58.748 58.200 0.173 0.000 1.056 334 S CB 0.598 63.893 63.200 0.158 0.000 0.836 334 S HN 0.467 nan 8.310 nan 0.000 0.504 335 S N 2.699 118.501 115.700 0.170 0.000 2.404 335 S HA 0.069 4.539 4.470 0.001 0.000 0.223 335 S C 0.815 175.514 174.600 0.165 0.000 1.040 335 S CA 0.004 58.299 58.200 0.159 0.000 0.957 335 S CB -0.109 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 1.490 120.327 118.700 0.227 0.000 2.841 336 N HA 0.204 4.945 4.740 0.001 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 1.257 39.829 38.487 0.142 0.000 1.162 336 N HN 0.086 nan 8.380 nan 0.000 0.503 337 V N 2.159 122.150 119.914 0.129 0.000 3.141 337 V HA -0.066 4.054 4.120 0.001 0.000 0.265 337 V C 1.832 177.974 176.094 0.079 0.000 1.126 337 V CA 1.652 64.021 62.300 0.115 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 -1.701 118.136 119.800 0.063 0.000 2.435 338 Q HA -0.143 4.197 4.340 0.001 0.000 0.207 338 Q C 1.748 177.790 176.000 0.069 0.000 0.956 338 Q CA 1.343 57.174 55.803 0.047 0.000 0.917 338 Q CB 0.032 28.785 28.738 0.025 0.000 0.997 338 Q HN 0.833 nan 8.270 nan 0.000 0.497 339 Y N -0.814 119.395 120.300 -0.151 0.000 2.472 339 Y HA 0.034 4.585 4.550 0.001 0.000 0.288 339 Y C 0.752 176.494 175.900 -0.264 0.000 1.154 339 Y CA 0.516 58.445 58.100 -0.285 0.000 1.238 339 Y CB -0.177 37.999 38.460 -0.475 0.000 1.287 339 Y HN 0.018 nan 8.280 nan 0.000 0.524 340 Y N 1.310 121.528 120.300 -0.138 0.000 2.578 340 Y HA 0.272 4.823 4.550 0.001 0.000 0.297 340 Y C 1.949 177.775 175.900 -0.122 0.000 1.176 340 Y CA 0.153 58.120 58.100 -0.222 0.000 1.315 340 Y CB -0.802 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 0.235 109.058 108.800 0.039 0.000 2.661 341 G HA2 -0.355 3.606 3.960 0.001 0.000 0.327 341 G HA3 -0.355 3.606 3.960 0.001 0.000 0.327 341 G C 0.416 175.340 174.900 0.040 0.000 1.320 341 G CA 0.662 45.779 45.100 0.030 0.000 0.997 341 G HN 0.334 nan 8.290 nan 0.000 0.543 342 S N -0.381 115.330 115.700 0.017 0.000 2.512 342 S HA 0.431 4.901 4.470 0.001 0.000 0.161 342 S C 1.361 175.981 174.600 0.034 0.000 1.383 342 S CA 0.320 58.534 58.200 0.024 0.000 1.248 342 S CB 0.051 63.264 63.200 0.022 0.000 1.488 342 S HN 0.655 nan 8.310 nan 0.000 0.382 343 L N 1.788 123.034 121.223 0.039 0.000 1.991 343 L HA -0.228 4.112 4.340 0.001 0.000 0.221 343 L C 2.514 179.482 176.870 0.164 0.000 1.079 343 L CA 1.993 56.886 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 -0.168 118.962 119.070 0.100 0.000 2.253 344 H HA -0.188 4.368 4.556 0.001 0.000 0.296 344 H C 2.057 177.505 175.328 0.201 0.000 1.067 344 H CA 2.334 58.486 56.048 0.174 0.000 1.245 344 H CB 0.100 30.006 29.762 0.239 0.000 1.364 344 H HN 0.386 nan 8.280 nan 0.000 0.494 345 N N -0.088 118.688 118.700 0.127 0.000 2.028 345 N HA -0.121 4.619 4.740 0.001 0.000 0.194 345 N C 2.071 177.568 175.510 -0.021 0.000 1.050 345 N CA 2.005 55.089 53.050 0.057 0.000 0.848 345 N CB -1.129 37.399 38.487 0.069 0.000 1.038 345 N HN 0.344 nan 8.380 nan 0.000 0.423 346 T N 1.178 115.732 114.554 -0.000 0.000 2.721 346 T HA -0.184 4.167 4.350 0.001 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 0.659 123.475 122.820 -0.007 0.000 2.019 347 A HA -0.161 4.159 4.320 0.001 0.000 0.219 347 A C 2.034 179.569 177.584 -0.080 0.000 1.164 347 A CA 1.327 53.409 52.037 0.075 0.000 0.644 347 A CB -0.627 18.466 19.000 0.155 0.000 0.805 347 A HN 0.631 nan 8.150 nan 0.000 0.449 348 H N -0.629 118.242 119.070 -0.330 0.000 2.276 348 H HA -0.074 4.482 4.556 0.001 0.000 0.307 348 H C 2.303 177.378 175.328 -0.421 0.000 1.061 348 H CA 1.831 57.594 56.048 -0.475 0.000 1.336 348 H CB -0.180 29.019 29.762 -0.938 0.000 1.396 348 H HN 0.316 nan 8.280 nan 0.000 0.503 349 V N 1.049 120.780 119.914 -0.305 0.000 2.380 349 V HA -0.301 3.819 4.120 0.001 0.000 0.251 349 V C 2.557 178.604 176.094 -0.078 0.000 1.063 349 V CA 2.005 64.193 62.300 -0.186 0.000 1.055 349 V CB -0.706 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 4.423 4.480 0.001 0.000 0.264 350 M C 1.906 178.296 176.300 0.151 0.000 1.063 350 M CA 1.787 57.137 55.300 0.084 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 -0.959 120.309 121.223 0.075 0.000 2.492 351 L HA 0.080 4.420 4.340 0.001 0.000 0.223 351 L C 1.970 178.795 176.870 -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 -0.539 108.219 108.800 -0.070 0.000 2.459 352 G HA2 -0.118 3.843 3.960 0.001 0.000 0.213 352 G HA3 -0.118 3.843 3.960 0.001 0.000 0.213 352 G C 1.385 176.260 174.900 -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 0.704 121.179 120.500 -0.041 0.000 2.356 353 R HA 0.143 4.483 4.340 0.001 0.000 0.234 353 R C 1.465 177.739 176.300 -0.043 0.000 0.929 353 R CA -0.124 55.951 56.100 -0.041 0.000 1.084 353 R CB 0.006 30.279 30.300 -0.045 0.000 1.105 353 R HN 0.289 nan 8.270 nan 0.000 0.515 354 Q N 0.422 120.190 119.800 -0.053 0.000 2.522 354 Q HA -0.085 4.256 4.340 0.001 0.000 0.216 354 Q C 1.659 177.627 176.000 -0.053 0.000 0.986 354 Q CA 1.372 57.125 55.803 -0.084 0.000 0.901 354 Q CB -0.220 28.404 28.738 -0.190 0.000 0.954 354 Q HN 0.486 nan 8.270 nan 0.000 0.502 355 G N -0.286 108.500 108.800 -0.023 0.000 2.683 355 G HA2 -0.071 3.889 3.960 0.001 0.000 0.213 355 G HA3 -0.071 3.889 3.960 0.001 0.000 0.213 355 G C -0.049 174.882 174.900 0.052 0.000 1.142 355 G CA 0.153 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 -1.600 118.803 120.400 0.005 0.000 2.686 356 D HA 0.177 4.817 4.640 0.001 0.000 0.229 356 D C -2.299 173.910 176.300 -0.151 0.000 1.391 356 D CA -0.777 53.213 54.000 -0.016 0.000 0.948 356 D CB 1.028 41.866 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 0.658 63.537 63.100 -0.368 0.000 0.843 357 P CB 0.241 31.682 31.700 -0.431 0.000 0.794 358 H N -1.322 117.714 119.070 -0.057 0.000 2.539 358 H HA 0.337 4.894 4.556 0.001 0.000 0.267 358 H C 1.087 176.355 175.328 -0.100 0.000 0.982 358 H CA 0.826 56.829 56.048 -0.076 0.000 1.146 358 H CB -0.546 29.174 29.762 -0.071 0.000 1.382 358 H HN 0.100 nan 8.280 nan 0.000 0.577 359 G N 2.067 110.754 108.800 -0.189 0.000 2.326 359 G HA2 -0.294 3.666 3.960 0.001 0.000 0.286 359 G HA3 -0.294 3.666 3.960 0.001 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 -1.042 119.052 120.400 -0.509 0.000 2.314 360 K HA 0.244 4.564 4.320 0.001 0.000 0.198 360 K C 1.325 177.519 176.600 -0.678 0.000 1.045 360 K CA 0.769 56.633 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 0.800 120.745 119.950 -0.008 0.000 2.720 361 F HA 0.109 4.636 4.527 0.001 0.000 0.301 361 F C 0.194 175.988 175.800 -0.010 0.000 1.103 361 F CA -0.709 57.285 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 0.758 119.545 118.700 0.146 0.000 2.681 362 N HA -0.227 4.513 4.740 0.001 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 0.087 0.000 0.717 362 N CB -1.308 37.226 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 0.001 0.000 0.263 363 L C -1.253 175.522 176.870 -0.159 0.000 1.122 363 L CA -1.675 53.145 54.840 -0.034 0.000 0.804 363 L CB 0.328 42.392 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 -0.624 0.000 1.303 364 P CA -1.441 61.186 63.100 -0.789 0.000 0.753 364 P CB -0.372 30.512 31.700 -1.361 0.000 1.281 365 P HA 0.289 nan 4.420 nan 0.000 0.275 365 P C 0.096 177.395 177.300 -0.003 0.000 1.266 365 P CA 0.061 62.934 63.100 -0.378 0.000 0.793 365 P CB 0.057 31.455 31.700 -0.503 0.000 1.074 366 G N -1.243 107.594 108.800 0.061 0.000 2.932 366 G HA2 0.346 4.307 3.960 0.001 0.000 0.283 366 G HA3 0.346 4.307 3.960 0.001 0.000 0.283 366 G C 0.824 175.911 174.900 0.312 0.000 1.336 366 G CA -0.412 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 -0.522 119.530 119.914 0.230 0.000 2.546 367 V HA -0.158 3.963 4.120 0.001 0.000 0.254 367 V C 2.214 178.330 176.094 0.038 0.000 1.076 367 V CA 2.805 65.099 62.300 -0.011 0.000 1.087 367 V CB -0.473 31.242 31.823 -0.179 0.000 0.674 367 V HN 0.569 nan 8.190 nan 0.000 0.470 368 M N 0.722 120.335 119.600 0.022 0.000 2.556 368 M HA 0.165 4.645 4.480 0.001 0.000 0.245 368 M C 1.202 177.524 176.300 0.036 0.000 1.128 368 M CA 1.066 56.376 55.300 0.016 0.000 1.069 368 M CB -0.210 32.321 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 4.493 4.350 0.001 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 -0.117 29.404 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 0.001 0.000 0.346 370 H C -0.070 175.307 175.328 0.082 0.000 1.138 370 H CA -0.924 55.169 56.048 0.074 0.000 1.273 370 H CB 0.641 30.446 29.762 0.070 0.000 1.926 370 H HN 0.009 nan 8.280 nan 0.000 0.524 371 F N 0.976 121.054 119.950 0.215 0.000 2.325 371 F HA -0.064 4.464 4.527 0.001 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 38.984 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 0.073 0.000 2.494 372 E HA 0.008 4.358 4.350 0.001 0.000 0.193 372 E C 0.779 177.105 176.600 -0.455 0.000 1.074 372 E CA 0.710 56.941 56.400 -0.282 0.000 0.867 372 E CB -0.344 29.054 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 -0.205 0.000 3.130 373 T HA 0.317 4.668 4.350 0.001 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 69.337 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 -0.079 0.000 1.975 374 A HA 0.091 4.411 4.320 0.001 0.000 0.215 374 A C 2.136 179.468 177.584 -0.421 0.000 1.170 374 A CA 1.227 53.201 52.037 -0.105 0.000 0.656 374 A CB -0.762 18.355 19.000 0.196 0.000 0.821 374 A HN 0.348 nan 8.150 nan 0.000 0.449 375 T N -0.473 113.735 114.554 -0.577 0.000 3.139 375 T HA -0.049 4.302 4.350 0.001 0.000 0.267 375 T C 1.832 176.375 174.700 -0.262 0.000 1.164 375 T CA 1.121 62.779 62.100 -0.737 0.000 1.075 375 T CB -0.351 68.156 68.868 -0.603 0.000 0.904 375 T HN 0.435 nan 8.240 nan 0.000 0.540 376 R N 1.237 121.633 120.500 -0.173 0.000 2.062 376 R HA 0.048 4.388 4.340 0.001 0.000 0.226 376 R C 0.781 177.043 176.300 -0.062 0.000 1.125 376 R CA 0.668 56.774 56.100 0.010 0.000 0.966 376 R CB -0.073 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 -0.058 120.044 120.400 -0.496 0.000 2.383 377 D HA 0.028 4.669 4.640 0.001 0.000 0.252 377 D C -1.824 174.050 176.300 -0.709 0.000 1.166 377 D CA -1.882 51.231 54.000 -1.478 0.000 0.879 377 D CB 1.343 41.535 40.800 -1.012 0.000 1.164 377 D HN -0.132 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 1.167 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 4.331 4.470 0.001 0.000 0.235 379 S C 1.680 176.139 174.600 -0.235 0.000 0.974 379 S CA 0.122 58.198 58.200 -0.206 0.000 0.942 379 S CB -1.643 61.417 63.200 -0.233 0.000 0.766 379 S HN 0.074 nan 8.310 nan 0.000 0.536 380 F N 2.380 122.111 119.950 -0.366 0.000 2.102 380 F HA 0.015 4.542 4.527 0.001 0.000 0.298 380 F C 1.427 176.951 175.800 -0.461 0.000 1.105 380 F CA 1.142 58.858 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 0.225 nan 8.300 nan 0.000 0.474 381 F N 0.040 119.844 119.950 -0.243 0.000 2.558 381 F HA 0.091 4.619 4.527 0.001 0.000 0.298 381 F C 2.464 178.171 175.800 -0.155 0.000 1.119 381 F CA 0.752 58.582 58.000 -0.283 0.000 1.451 381 F CB -0.691 38.015 39.000 -0.491 0.000 1.091 381 F HN -0.152 nan 8.300 nan 0.000 0.563 382 R N 0.236 120.711 120.500 -0.043 0.000 2.073 382 R HA -0.100 4.240 4.340 0.001 0.000 0.229 382 R C 2.134 178.336 176.300 -0.164 0.000 1.120 382 R CA 0.895 56.947 56.100 -0.081 0.000 0.967 382 R CB -0.495 29.736 30.300 -0.115 0.000 0.862 382 R HN 0.265 nan 8.270 nan 0.000 0.436 383 L N -0.260 120.798 121.223 -0.275 0.000 2.156 383 L HA -0.086 4.254 4.340 0.001 0.000 0.208 383 L C 1.050 177.747 176.870 -0.287 0.000 1.095 383 L CA 1.936 56.556 54.840 -0.366 0.000 0.770 383 L CB -0.199 41.563 42.059 -0.495 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 4.686 4.556 0.001 0.000 0.265 384 H C 1.948 177.307 175.328 0.051 0.000 0.964 384 H CA 0.559 56.540 56.048 -0.111 0.000 1.156 384 H CB 0.077 29.717 29.762 -0.204 0.000 1.411 384 H HN 0.299 nan 8.280 nan 0.000 0.558 385 K N 0.089 120.573 120.400 0.140 0.000 2.007 385 K HA -0.154 4.166 4.320 0.001 0.000 0.206 385 K C 1.803 178.498 176.600 0.159 0.000 1.047 385 K CA 0.992 57.380 56.287 0.168 0.000 0.937 385 K CB -0.203 32.377 32.500 0.133 0.000 0.718 385 K HN 0.240 nan 8.250 nan 0.000 0.438 386 Y N 1.138 121.407 120.300 -0.053 0.000 2.030 386 Y HA -0.344 4.207 4.550 0.001 0.000 0.274 386 Y C 2.008 177.893 175.900 -0.024 0.000 1.153 386 Y CA 2.385 60.437 58.100 -0.080 0.000 1.115 386 Y CB -0.297 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 0.027 119.716 119.600 0.148 0.000 2.106 387 M HA -0.280 4.200 4.480 0.001 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 32.138 32.600 0.191 0.000 1.351 387 M HN 0.343 nan 8.290 nan 0.000 0.404 388 D N 1.004 121.568 120.400 0.274 0.000 2.103 388 D HA -0.155 4.486 4.640 0.001 0.000 0.190 388 D C 0.761 177.278 176.300 0.363 0.000 0.997 388 D CA 1.440 55.709 54.000 0.447 0.000 0.833 388 D CB -0.319 40.774 40.800 0.487 0.000 0.961 388 D HN 0.493 nan 8.370 nan 0.000 0.447 389 N N -0.129 118.660 118.700 0.149 0.000 2.416 389 N HA 0.050 4.791 4.740 0.001 0.000 0.215 389 N C 0.752 176.184 175.510 -0.129 0.000 1.208 389 N CA -0.105 52.944 53.050 -0.001 0.000 0.834 389 N CB 0.592 39.043 38.487 -0.060 0.000 1.072 389 N HN 0.209 nan 8.380 nan 0.000 0.472 390 I N -0.557 119.878 120.570 -0.225 0.000 2.810 390 I HA 0.037 4.208 4.170 0.001 0.000 0.262 390 I C 1.308 177.210 176.117 -0.360 0.000 1.131 390 I CA 0.601 61.618 61.300 -0.471 0.000 1.453 390 I CB -0.652 36.917 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 -0.101 4.427 4.527 0.001 0.000 0.297 391 F C 2.534 178.211 175.800 -0.206 0.000 1.103 391 F CA 1.329 59.248 58.000 -0.136 0.000 1.248 391 F CB -0.647 38.327 39.000 -0.044 0.000 0.999 391 F HN -0.017 nan 8.300 nan 0.000 0.475 392 K N 0.931 121.319 120.400 -0.020 0.000 2.281 392 K HA -0.201 4.119 4.320 0.001 0.000 0.203 392 K C 1.906 178.287 176.600 -0.365 0.000 1.046 392 K CA 1.151 57.175 56.287 -0.439 0.000 0.938 392 K CB -0.107 31.823 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 0.001 0.000 0.204 393 K C 1.959 178.431 176.600 -0.213 0.000 1.047 393 K CA 1.665 57.828 56.287 -0.205 0.000 0.935 393 K CB -0.165 32.266 32.500 -0.116 0.000 0.728 393 K HN 0.391 nan 8.250 nan 0.000 0.452 394 H N -0.300 118.574 119.070 -0.327 0.000 2.418 394 H HA 0.060 4.616 4.556 0.001 0.000 0.300 394 H C 1.964 176.942 175.328 -0.584 0.000 1.041 394 H CA 1.395 57.209 56.048 -0.390 0.000 1.364 394 H CB 0.009 29.595 29.762 -0.294 0.000 1.439 394 H HN -0.119 nan 8.280 nan 0.000 0.540 395 T N -0.055 114.283 114.554 -0.361 0.000 2.699 395 T HA -0.168 4.182 4.350 0.001 0.000 0.268 395 T C 1.101 175.504 174.700 -0.496 0.000 1.036 395 T CA 2.049 63.909 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 -0.183 119.926 120.400 -0.485 0.000 2.339 396 D HA 0.097 4.738 4.640 0.001 0.000 0.217 396 D C 1.942 178.006 176.300 -0.394 0.000 1.050 396 D CA 0.258 54.019 54.000 -0.398 0.000 0.856 396 D CB -0.026 40.546 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 0.060 4.531 4.470 0.001 0.000 0.217 397 S C 0.536 174.954 174.600 -0.303 0.000 0.966 397 S CA -0.386 57.538 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 0.001 0.000 0.325 398 F C -1.804 173.867 175.800 -0.214 0.000 1.136 398 F CA -3.046 54.813 58.000 -0.235 0.000 1.171 398 F CB 0.014 38.854 39.000 -0.266 0.000 1.230 398 F HN 0.044 nan 8.300 nan 0.000 0.554 399 P HA 0.217 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 -1.298 61.779 63.100 -0.038 0.000 0.794 399 P CB 0.792 32.478 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 63.446 63.100 -0.119 0.000 0.795 400 P CB 0.091 31.767 31.700 -0.040 0.000 1.022 401 Y N -1.013 119.284 120.300 -0.005 0.000 2.376 401 Y HA 0.348 4.899 4.550 0.001 0.000 0.325 401 Y C 1.426 177.332 175.900 0.010 0.000 1.199 401 Y CA -0.335 57.763 58.100 -0.004 0.000 1.206 401 Y CB 0.496 38.936 38.460 -0.035 0.000 1.229 401 Y HN 0.269 nan 8.280 nan 0.000 0.480 402 T N -1.050 113.636 114.554 0.221 0.000 2.816 402 T HA 0.048 4.399 4.350 0.001 0.000 0.282 402 T C 1.227 176.003 174.700 0.127 0.000 0.993 402 T CA -0.123 62.068 62.100 0.151 0.000 0.994 402 T CB 0.677 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 0.548 119.658 119.070 0.066 0.000 2.276 403 H HA -0.088 4.469 4.556 0.001 0.000 0.301 403 H C 1.531 176.888 175.328 0.049 0.000 1.073 403 H CA 2.263 58.343 56.048 0.053 0.000 1.311 403 H CB -0.566 29.224 29.762 0.046 0.000 1.379 403 H HN 0.772 nan 8.280 nan 0.000 0.494 404 D N 0.290 120.851 120.400 0.268 0.000 2.322 404 D HA -0.159 4.482 4.640 0.001 0.000 0.210 404 D C 1.729 178.054 176.300 0.042 0.000 0.983 404 D CA 0.734 54.843 54.000 0.181 0.000 0.902 404 D CB -0.191 40.715 40.800 0.176 0.000 0.905 404 D HN 0.581 nan 8.370 nan 0.000 0.483 405 N N -0.368 118.345 118.700 0.022 0.000 2.092 405 N HA -0.028 4.713 4.740 0.001 0.000 0.189 405 N C 1.908 177.361 175.510 -0.095 0.000 1.040 405 N CA 0.465 53.517 53.050 0.003 0.000 0.845 405 N CB 0.169 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 0.591 121.716 121.223 -0.164 0.000 2.341 406 L HA 0.066 4.407 4.340 0.001 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 0.150 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 4.209 4.350 0.001 0.000 0.252 407 E C -0.670 175.982 176.600 0.086 0.000 0.981 407 E CA 0.234 56.588 56.400 -0.077 0.000 0.943 407 E CB 0.091 29.718 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 2.449 408 F HA 0.335 4.862 4.527 0.001 0.000 0.344 408 F C -0.272 175.512 175.800 -0.027 0.000 1.180 408 F CA -0.939 57.034 58.000 -0.045 0.000 1.209 408 F CB 0.342 39.307 39.000 -0.058 0.000 1.440 408 F HN 0.259 nan 8.300 nan 0.000 0.526 409 S N 3.594 119.341 115.700 0.077 0.000 2.810 409 S HA 0.389 4.860 4.470 0.001 0.000 0.329 409 S C 0.876 175.369 174.600 -0.179 0.000 1.231 409 S CA 1.613 59.797 58.200 -0.027 0.000 1.042 409 S CB -0.531 62.685 63.200 0.027 0.000 0.756 409 S HN 1.577 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 3.753 3.960 0.001 0.000 0.230 410 G HA3 -0.208 3.753 3.960 0.001 0.000 0.230 410 G C -0.125 174.599 174.900 -0.293 0.000 1.587 410 G CA -0.250 44.708 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 4.818 4.480 0.001 0.000 0.392 411 M C 0.326 176.543 176.300 -0.138 0.000 1.286 411 M CA 1.446 56.539 55.300 -0.345 0.000 0.828 411 M CB 0.447 32.683 32.600 -0.607 0.000 1.903 411 M HN 1.575 nan 8.290 nan 0.000 0.499 412 V N 5.211 125.093 119.914 -0.054 0.000 2.711 412 V HA 0.540 4.660 4.120 0.001 0.000 0.304 412 V C -1.022 175.093 176.094 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 7.381 127.327 119.914 0.053 0.000 2.521 413 V HA 0.281 4.402 4.120 0.001 0.000 0.286 413 V C 1.178 177.300 176.094 0.047 0.000 1.034 413 V CA 0.212 62.554 62.300 0.071 0.000 1.045 413 V CB 0.966 32.840 31.823 0.085 0.000 0.974 413 V HN 1.015 nan 8.190 nan 0.000 0.480 414 N N 3.244 121.973 118.700 0.050 0.000 2.322 414 N HA 0.157 4.898 4.740 0.001 0.000 0.186 414 N C 0.562 176.090 175.510 0.030 0.000 1.037 414 N CA 1.040 54.110 53.050 0.034 0.000 0.869 414 N CB 0.572 39.080 38.487 0.034 0.000 1.036 414 N HN 0.740 nan 8.380 nan 0.000 0.439 415 G N -0.087 108.739 108.800 0.044 0.000 2.692 415 G HA2 0.495 4.455 3.960 0.001 0.000 0.291 415 G HA3 0.495 4.455 3.960 0.001 0.000 0.291 415 G C -1.852 173.083 174.900 0.058 0.000 1.423 415 G CA -0.345 44.778 45.100 0.038 0.000 0.843 415 G HN 0.053 nan 8.290 nan 0.000 0.486 416 V N -0.611 119.334 119.914 0.053 0.000 2.623 416 V HA 0.911 5.032 4.120 0.001 0.000 0.304 416 V C -0.572 175.577 176.094 0.092 0.000 1.054 416 V CA 0.041 62.391 62.300 0.083 0.000 0.882 416 V CB 1.096 32.967 31.823 0.081 0.000 1.002 416 V HN 1.999 nan 8.190 nan 0.000 0.424 417 A N 6.145 129.039 122.820 0.124 0.000 2.449 417 A HA 0.900 5.221 4.320 0.001 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 0.207 4.378 4.170 0.001 0.000 0.289 418 I C -0.351 175.812 176.117 0.078 0.000 1.021 418 I CA 0.078 61.456 61.300 0.131 0.000 1.224 418 I CB 1.412 39.480 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 5.187 4.640 0.001 0.000 0.220 419 D C 0.363 176.695 176.300 0.054 0.000 1.158 419 D CA 0.549 54.575 54.000 0.044 0.000 0.992 419 D CB -0.051 40.763 40.800 0.023 0.000 1.058 419 D HN 0.707 nan 8.370 nan 0.000 0.516 420 G N 2.023 110.853 108.800 0.050 0.000 2.347 420 G HA2 0.029 3.989 3.960 0.001 0.000 0.224 420 G HA3 0.029 3.989 3.960 0.001 0.000 0.224 420 G C -1.336 173.579 174.900 0.024 0.000 1.318 420 G CA -0.822 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 -0.338 119.872 120.200 0.016 0.000 2.343 421 E HA 0.515 4.865 4.350 0.001 0.000 0.270 421 E C -0.884 175.639 176.600 -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 32.211 29.700 -0.009 0.000 1.248 421 E HN 0.404 nan 8.360 nan 0.000 0.440 422 L N 3.266 124.382 121.223 -0.178 0.000 2.270 422 L HA 0.479 4.819 4.340 0.001 0.000 0.286 422 L C -0.210 176.548 176.870 -0.187 0.000 1.059 422 L CA -0.367 54.296 54.840 -0.295 0.000 0.839 422 L CB 0.206 42.038 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 4.553 4.170 0.001 0.000 0.288 423 I C -0.119 175.942 176.117 -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 40.226 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 0.785 5.135 4.350 0.001 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 1.319 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 -0.256 119.655 119.950 -0.065 0.000 2.894 425 F HA 0.883 5.411 4.527 0.001 0.000 0.332 425 F C -1.811 173.872 175.800 -0.195 0.000 1.192 425 F CA -2.469 55.498 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 1.894 122.128 119.950 0.473 0.000 2.359 426 F HA 0.363 4.891 4.527 0.001 0.000 0.369 426 F C 0.317 176.293 175.800 0.294 0.000 1.084 426 F CA -0.814 57.333 58.000 0.245 0.000 1.096 426 F CB 0.051 39.055 39.000 0.008 0.000 1.335 426 F HN 0.431 nan 8.300 nan 0.000 0.457 427 D N 1.799 122.541 120.400 0.569 0.000 2.232 427 D HA 0.085 4.726 4.640 0.001 0.000 0.242 427 D C -0.308 176.247 176.300 0.425 0.000 1.330 427 D CA 0.545 54.819 54.000 0.455 0.000 0.954 427 D CB 0.546 41.585 40.800 0.399 0.000 1.202 427 D HN 0.530 nan 8.370 nan 0.000 0.530 428 E N -0.863 119.546 120.200 0.349 0.000 2.321 428 E HA 0.367 4.718 4.350 0.001 0.000 0.278 428 E C -1.597 175.197 176.600 0.325 0.000 0.902 428 E CA -0.595 55.998 56.400 0.322 0.000 0.758 428 E CB 1.596 31.426 29.700 0.218 0.000 1.213 428 E HN 0.204 nan 8.360 nan 0.000 0.426 429 F N 1.846 121.858 119.950 0.103 0.000 2.577 429 F HA 0.468 4.996 4.527 0.001 0.000 0.318 429 F C -1.064 174.768 175.800 0.053 0.000 1.065 429 F CA -0.333 57.720 58.000 0.089 0.000 0.929 429 F CB 2.008 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 3.976 123.404 119.800 -0.620 0.000 2.285 430 Q HA 0.342 4.682 4.340 0.001 0.000 0.269 430 Q C -1.809 174.005 176.000 -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 -0.053 0.000 2.630 431 Y HA 0.758 5.308 4.550 0.001 0.000 0.337 431 Y C -0.573 175.380 175.900 0.088 0.000 1.051 431 Y CA -1.312 56.851 58.100 0.105 0.000 1.121 431 Y CB 1.515 40.165 38.460 0.316 0.000 1.299 431 Y HN 0.356 nan 8.280 nan 0.000 0.498 432 S N 1.347 117.120 115.700 0.121 0.000 2.429 432 S HA 0.362 4.833 4.470 0.001 0.000 0.302 432 S C 0.135 174.807 174.600 0.120 0.000 1.115 432 S CA -0.806 57.428 58.200 0.057 0.000 1.095 432 S CB 0.104 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 4.498 4.340 0.001 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 -0.418 41.679 42.059 0.065 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 3.967 4.170 0.001 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 0.168 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 4.733 4.740 0.001 0.000 0.189 435 N C 1.529 177.283 175.510 0.407 0.000 1.154 435 N CA 0.701 53.941 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 -0.394 122.622 122.820 0.327 0.000 1.935 436 A HA 0.076 4.397 4.320 0.001 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 -0.192 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 -0.111 119.993 119.914 0.317 0.000 2.617 437 V HA 0.521 4.641 4.120 0.001 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 0.267 0.000 0.964 437 V CB 1.131 33.111 31.823 0.262 0.000 1.004 437 V HN 0.419 nan 8.190 nan 0.000 0.466 438 D N 2.249 122.677 120.400 0.045 0.000 2.210 438 D HA 0.553 5.193 4.640 0.001 0.000 0.249 438 D C -0.365 175.974 176.300 0.064 0.000 1.062 438 D CA -0.308 53.738 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 5.070 4.470 0.001 0.000 0.308 439 S C 0.634 175.265 174.600 0.053 0.000 1.113 439 S CA -0.683 57.554 58.200 0.061 0.000 1.049 439 S CB 1.191 64.434 63.200 0.072 0.000 1.001 439 S HN 0.592 nan 8.310 nan 0.000 0.480 440 G N 2.729 111.551 108.800 0.037 0.000 2.542 440 G HA2 0.371 4.332 3.960 0.001 0.000 0.211 440 G HA3 0.371 4.332 3.960 0.001 0.000 0.211 440 G C -0.473 174.439 174.900 0.020 0.000 1.702 440 G CA 0.161 45.281 45.100 0.032 0.000 0.935 440 G HN 0.614 nan 8.290 nan 0.000 0.509 441 E N -0.542 119.665 120.200 0.012 0.000 2.321 441 E HA 0.329 4.679 4.350 0.001 0.000 0.278 441 E C -0.680 175.920 176.600 -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 0.588 119.285 118.700 -0.005 0.000 2.994 442 N HA -0.203 4.537 4.740 0.001 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 2.870 123.442 120.570 0.003 0.000 2.342 443 I HA 0.153 4.324 4.170 0.001 0.000 0.291 443 I C 0.643 176.766 176.117 0.010 0.000 1.010 443 I CA -0.442 60.864 61.300 0.009 0.000 1.308 443 I CB 0.734 38.742 38.000 0.014 0.000 1.400 443 I HN 0.097 nan 8.210 nan 0.000 0.488 444 E N 5.394 125.600 120.200 0.010 0.000 2.243 444 E HA 0.341 4.692 4.350 0.001 0.000 0.260 444 E C -1.120 175.491 176.600 0.019 0.000 0.985 444 E CA -0.963 55.443 56.400 0.009 0.000 0.858 444 E CB 0.839 30.540 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 4.738 4.640 0.001 0.000 0.254 445 D C -0.899 175.417 176.300 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 3.164 123.100 119.914 0.036 0.000 2.513 446 V HA 0.199 4.319 4.120 0.001 0.000 0.299 446 V C -0.217 175.897 176.094 0.033 0.000 1.035 446 V CA -0.784 61.533 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 6.480 126.687 120.200 0.011 0.000 2.052 447 E HA 0.321 4.672 4.350 0.001 0.000 0.283 447 E C -0.964 175.624 176.600 -0.019 0.000 1.071 447 E CA -0.395 56.007 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 4.356 124.931 120.570 0.010 0.000 2.385 448 I HA 0.267 4.438 4.170 0.001 0.000 0.294 448 I C 0.323 176.405 176.117 -0.058 0.000 0.988 448 I CA -0.430 60.861 61.300 -0.014 0.000 1.265 448 I CB 1.374 39.437 38.000 0.105 0.000 1.388 448 I HN 0.442 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 5.533 4.740 0.001 0.000 0.296 449 N C -1.271 174.102 175.510 -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 1.211 123.822 122.820 -0.349 0.000 2.350 450 A HA 0.592 4.913 4.320 0.001 0.000 0.324 450 A C -0.673 176.683 177.584 -0.379 0.000 1.118 450 A CA -0.515 51.307 52.037 -0.357 0.000 0.783 450 A CB 1.070 19.777 19.000 -0.489 0.000 1.236 450 A HN 0.738 nan 8.150 nan 0.000 0.457 451 R N 1.610 121.996 120.500 -0.190 0.000 2.480 451 R HA 0.646 4.987 4.340 0.001 0.000 0.306 451 R C -1.084 175.179 176.300 -0.061 0.000 0.958 451 R CA -0.387 55.639 56.100 -0.124 0.000 0.861 451 R CB 1.381 31.596 30.300 -0.141 0.000 1.171 451 R HN 0.754 nan 8.270 nan 0.000 0.445 452 V N 0.164 120.125 119.914 0.078 0.000 3.046 452 V HA 0.483 4.604 4.120 0.001 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 2.411 121.478 119.070 -0.006 0.000 2.641 453 H HA 0.575 5.131 4.556 0.001 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 3.230 123.983 120.500 0.422 0.000 2.854 454 R HA 0.368 4.709 4.340 0.001 0.000 0.271 454 R C -1.038 175.602 176.300 0.566 0.000 0.996 454 R CA -1.207 55.149 56.100 0.428 0.000 0.961 454 R CB 1.534 31.956 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 4.579 4.340 0.001 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 42.187 42.059 -0.203 0.000 1.098 455 L HN 0.937 nan 8.230 nan 0.000 0.500 456 N N -1.288 117.075 118.700 -0.561 0.000 3.127 456 N HA 0.453 5.194 4.740 0.001 0.000 0.239 456 N C -1.928 172.921 175.510 -1.101 0.000 1.407 456 N CA -0.642 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 -1.075 117.518 119.070 -0.795 0.000 2.931 457 H HA 0.643 5.200 4.556 0.001 0.000 0.331 457 H C -1.576 173.657 175.328 -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 -0.233 0.000 1.898 457 H HN 0.270 nan 8.280 nan 0.000 0.562 458 N N 0.474 119.320 118.700 0.244 0.000 2.321 458 N HA 0.146 4.887 4.740 0.001 0.000 0.299 458 N C -1.153 174.591 175.510 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 40.301 38.487 0.256 0.000 1.269 458 N HN 0.769 nan 8.380 nan 0.000 0.486 459 E N 1.660 121.996 120.200 0.226 0.000 2.492 459 E HA 0.081 4.432 4.350 0.001 0.000 0.266 459 E C -0.883 175.867 176.600 0.251 0.000 1.047 459 E CA 0.300 56.822 56.400 0.202 0.000 0.968 459 E CB 0.142 29.863 29.700 0.033 0.000 0.960 459 E HN 0.393 nan 8.360 nan 0.000 0.452 460 F N -1.222 118.688 119.950 -0.066 0.000 2.686 460 F HA 0.587 5.114 4.527 0.001 0.000 0.311 460 F C -0.890 174.762 175.800 -0.248 0.000 1.128 460 F CA -1.049 56.868 58.000 -0.138 0.000 0.946 460 F CB 1.669 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 -0.022 114.450 114.554 -0.136 0.000 2.900 461 T HA 0.630 4.981 4.350 0.001 0.000 0.295 461 T C -1.938 172.651 174.700 -0.185 0.000 1.044 461 T CA -0.405 61.520 62.100 -0.291 0.000 0.995 461 T CB 0.843 69.593 68.868 -0.196 0.000 1.072 461 T HN 0.516 nan 8.240 nan 0.000 0.473 462 Y N 2.630 122.935 120.300 0.009 0.000 2.313 462 Y HA 0.523 5.073 4.550 0.001 0.000 0.332 462 Y C 0.881 176.792 175.900 0.018 0.000 1.071 462 Y CA -0.772 57.358 58.100 0.050 0.000 1.169 462 Y CB 1.107 39.596 38.460 0.049 0.000 1.192 462 Y HN 0.445 nan 8.280 nan 0.000 0.487 463 K N 4.918 125.443 120.400 0.208 0.000 2.559 463 K HA 0.470 4.791 4.320 0.001 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 2.868 123.499 120.570 0.102 0.000 2.359 464 I HA 0.119 4.289 4.170 0.001 0.000 0.284 464 I C -0.205 175.958 176.117 0.077 0.000 1.018 464 I CA -0.279 61.078 61.300 0.096 0.000 1.173 464 I CB 1.711 39.759 38.000 0.081 0.000 1.326 464 I HN 0.416 nan 8.210 nan 0.000 0.462 465 T N 7.919 122.520 114.554 0.078 0.000 2.771 465 T HA 0.700 5.050 4.350 0.001 0.000 0.291 465 T C -0.288 174.458 174.700 0.077 0.000 0.954 465 T CA -0.496 61.642 62.100 0.064 0.000 1.045 465 T CB 0.685 69.583 68.868 0.049 0.000 0.917 465 T HN 0.608 nan 8.240 nan 0.000 0.484 466 M N 0.237 119.883 119.600 0.078 0.000 2.346 466 M HA 0.493 4.974 4.480 0.001 0.000 0.287 466 M C -1.265 175.077 176.300 0.069 0.000 1.100 466 M CA -0.811 54.540 55.300 0.085 0.000 0.950 466 M CB 1.436 34.123 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 0.403 4.873 4.470 0.001 0.000 0.281 467 S C -0.336 174.255 174.600 -0.014 0.000 1.198 467 S CA -0.663 57.546 58.200 0.015 0.000 1.063 467 S CB 0.806 64.008 63.200 0.003 0.000 0.972 467 S HN 0.756 nan 8.310 nan 0.000 0.486 468 N N 2.235 120.923 118.700 -0.020 0.000 2.719 468 N HA 0.150 4.890 4.740 0.001 0.000 0.243 468 N C 0.317 175.786 175.510 -0.068 0.000 1.104 468 N CA -0.353 52.656 53.050 -0.068 0.000 0.981 468 N CB -0.533 37.931 38.487 -0.037 0.000 1.290 468 N HN 0.630 nan 8.380 nan 0.000 0.513 469 N N 1.461 120.113 118.700 -0.081 0.000 2.453 469 N HA -0.076 4.664 4.740 0.001 0.000 0.183 469 N C -0.079 175.395 175.510 -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 4.650 4.740 0.001 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 38.783 38.487 -0.096 0.000 1.115 470 N HN 0.244 nan 8.380 nan 0.000 0.436 471 D N -0.581 119.801 120.400 -0.029 0.000 2.117 471 D HA -0.051 4.590 4.640 0.001 0.000 0.197 471 D C 0.607 176.901 176.300 -0.011 0.000 0.987 471 D CA 1.172 55.162 54.000 -0.016 0.000 0.829 471 D CB -0.185 40.609 40.800 -0.010 0.000 0.961 471 D HN 0.552 nan 8.370 nan 0.000 0.460 472 G N 0.186 108.980 108.800 -0.011 0.000 2.378 472 G HA2 0.384 4.345 3.960 0.001 0.000 0.306 472 G HA3 0.384 4.345 3.960 0.001 0.000 0.306 472 G C -1.351 173.554 174.900 0.009 0.000 1.413 472 G CA -0.221 44.878 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 0.001 0.000 0.393 473 E C -0.744 175.885 176.600 0.048 0.000 0.776 473 E CA 0.784 57.206 56.400 0.037 0.000 1.154 473 E CB -0.229 29.495 29.700 0.041 0.000 0.655 473 E HN 0.633 nan 8.360 nan 0.000 0.358 474 R N 3.540 124.086 120.500 0.078 0.000 2.744 474 R HA 0.490 4.830 4.340 0.001 0.000 0.279 474 R C -0.100 176.313 176.300 0.188 0.000 0.977 474 R CA -1.189 54.992 56.100 0.134 0.000 0.906 474 R CB 1.324 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 1.627 122.946 121.223 0.160 0.000 2.416 475 L HA 0.367 4.708 4.340 0.001 0.000 0.272 475 L C -0.245 176.696 176.870 0.120 0.000 1.161 475 L CA 0.009 54.915 54.840 0.110 0.000 0.845 475 L CB 1.018 43.073 42.059 -0.007 0.000 1.119 475 L HN 0.794 nan 8.230 nan 0.000 0.464 476 A N 2.719 125.620 122.820 0.135 0.000 2.393 476 A HA 0.608 4.929 4.320 0.001 0.000 0.306 476 A C -0.462 177.050 177.584 -0.121 0.000 1.050 476 A CA -0.501 51.516 52.037 -0.032 0.000 0.724 476 A CB 1.428 20.420 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 -0.262 0.000 2.727 477 T HA 0.400 4.750 4.350 0.001 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 68.405 68.868 0.024 0.000 0.917 477 T HN 0.317 nan 8.240 nan 0.000 0.487 478 F N 3.664 123.328 119.950 -0.477 0.000 2.464 478 F HA 0.293 4.820 4.527 0.001 0.000 0.353 478 F C 1.300 176.779 175.800 -0.535 0.000 1.191 478 F CA -0.597 56.995 58.000 -0.680 0.000 1.147 478 F CB 0.228 38.333 39.000 -1.491 0.000 1.294 478 F HN 0.230 nan 8.300 nan 0.000 0.583 479 R N 4.758 125.101 120.500 -0.260 0.000 2.255 479 R HA 0.611 4.952 4.340 0.001 0.000 0.326 479 R C -0.849 175.267 176.300 -0.307 0.000 0.986 479 R CA -0.503 55.455 56.100 -0.236 0.000 0.847 479 R CB 1.310 31.595 30.300 -0.025 0.000 1.111 479 R HN 0.536 nan 8.270 nan 0.000 0.452 480 I N 3.953 124.225 120.570 -0.495 0.000 2.448 480 I HA 0.300 4.471 4.170 0.001 0.000 0.281 480 I C -0.725 175.067 176.117 -0.541 0.000 1.027 480 I CA -0.652 60.413 61.300 -0.391 0.000 1.111 480 I CB 0.782 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 5.048 4.527 0.001 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 1.373 40.471 39.000 0.164 0.000 1.214 481 F HN 0.303 nan 8.300 nan 0.000 0.518 482 L N 3.426 124.828 121.223 0.298 0.000 2.401 482 L HA 0.543 4.883 4.340 0.001 0.000 0.263 482 L C -1.058 176.012 176.870 0.333 0.000 1.004 482 L CA -0.065 54.910 54.840 0.225 0.000 0.881 482 L CB 0.264 42.311 42.059 -0.020 0.000 1.219 482 L HN 0.657 nan 8.230 nan 0.000 0.441 483 c N 4.606 123.437 118.600 0.384 0.000 2.347 483 c HA 0.689 5.259 4.570 0.001 0.000 0.366 483 c C -1.890 172.458 174.090 0.431 0.000 1.241 483 c CA -0.719 55.810 56.329 0.333 0.000 2.360 483 c CB 0.896 43.540 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 -0.214 63.083 63.100 0.329 0.000 0.782 484 P CB 0.928 32.603 31.700 -0.043 0.000 1.282 485 I N -2.222 118.412 120.570 0.107 0.000 3.878 485 I HA 0.186 4.357 4.170 0.001 0.000 0.273 485 I C 0.934 177.069 176.117 0.031 0.000 1.165 485 I CA 0.445 61.784 61.300 0.064 0.000 1.360 485 I CB 0.118 38.147 38.000 0.048 0.000 1.539 485 I HN 0.204 nan 8.210 nan 0.000 0.447 486 E N 0.670 120.872 120.200 0.003 0.000 2.281 486 E HA 0.163 4.514 4.350 0.001 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 31.272 29.700 0.003 0.000 1.238 486 E HN -0.060 nan 8.360 nan 0.000 0.412 487 D N 0.070 120.471 120.400 0.001 0.000 2.144 487 D HA -0.135 4.506 4.640 0.001 0.000 0.200 487 D C 0.791 177.087 176.300 -0.006 0.000 0.978 487 D CA 1.405 55.405 54.000 -0.000 0.000 0.833 487 D CB 0.072 40.889 40.800 0.027 0.000 0.961 487 D HN 0.610 nan 8.370 nan 0.000 0.470 488 N N -1.952 116.763 118.700 0.025 0.000 2.976 488 N HA -0.170 4.571 4.740 0.001 0.000 0.206 488 N C 0.047 175.594 175.510 0.061 0.000 0.910 488 N CA 1.172 54.258 53.050 0.060 0.000 1.030 488 N CB -1.549 36.959 38.487 0.034 0.000 1.019 488 N HN 0.075 nan 8.380 nan 0.000 0.577 489 N N -0.547 118.178 118.700 0.042 0.000 2.273 489 N HA 0.315 5.055 4.740 0.001 0.000 0.192 489 N C 1.348 176.880 175.510 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 1.196 110.018 108.800 0.037 0.000 2.259 490 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 490 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 490 G C 1.071 175.987 174.900 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 0.985 121.572 120.570 0.028 0.000 2.290 491 I HA -0.127 4.043 4.170 0.001 0.000 0.253 491 I C 1.522 177.658 176.117 0.032 0.000 1.112 491 I CA 1.656 62.973 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 0.693 nan 8.210 nan 0.000 0.428 492 T N 2.002 116.576 114.554 0.032 0.000 2.995 492 T HA -0.093 4.258 4.350 0.001 0.000 0.456 492 T C -0.086 174.642 174.700 0.047 0.000 0.777 492 T CA -0.156 61.967 62.100 0.038 0.000 2.404 492 T CB -1.353 67.536 68.868 0.036 0.000 1.682 492 T HN 0.291 nan 8.240 nan 0.000 0.624 493 L N 3.090 124.347 121.223 0.058 0.000 2.479 493 L HA 0.714 5.055 4.340 0.001 0.000 0.248 493 L C 1.830 178.738 176.870 0.064 0.000 1.205 493 L CA 0.253 55.135 54.840 0.070 0.000 0.817 493 L CB 0.017 42.142 42.059 0.110 0.000 1.162 493 L HN 0.562 nan 8.230 nan 0.000 0.486 494 T N -2.118 112.471 114.554 0.059 0.000 3.258 494 T HA 0.364 4.714 4.350 0.001 0.000 0.263 494 T C 0.640 175.360 174.700 0.033 0.000 0.983 494 T CA -0.245 61.883 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 0.305 121.543 121.223 0.025 0.000 3.839 495 L HA -0.266 4.075 4.340 0.001 0.000 0.416 495 L C 0.233 177.094 176.870 -0.015 0.000 1.195 495 L CA 1.810 56.633 54.840 -0.029 0.000 0.946 495 L CB -1.163 40.864 42.059 -0.052 0.000 1.891 495 L HN 0.605 nan 8.230 nan 0.000 0.963 496 D N -2.792 117.611 120.400 0.005 0.000 1.948 496 D HA 0.020 4.661 4.640 0.001 0.000 0.376 496 D C 1.308 177.603 176.300 -0.009 0.000 1.209 496 D CA 0.672 54.664 54.000 -0.012 0.000 1.207 496 D CB -0.002 40.784 40.800 -0.023 0.000 1.980 496 D HN 0.454 nan 8.370 nan 0.000 0.471 497 E N 0.164 120.373 120.200 0.016 0.000 2.152 497 E HA 0.166 4.517 4.350 0.001 0.000 0.192 497 E C 1.316 177.978 176.600 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 1.175 124.068 122.820 0.122 0.000 2.390 498 A HA 0.067 4.387 4.320 0.001 0.000 0.232 498 A C 1.772 179.446 177.584 0.150 0.000 1.233 498 A CA -0.245 51.926 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 -0.882 119.657 120.500 0.066 0.000 2.120 499 R HA -0.157 4.183 4.340 0.001 0.000 0.234 499 R C 1.858 178.240 176.300 0.137 0.000 1.123 499 R CA 1.389 57.497 56.100 0.014 0.000 0.975 499 R CB -0.482 29.802 30.300 -0.025 0.000 0.866 499 R HN 0.693 nan 8.270 nan 0.000 0.446 500 W N 0.434 121.722 121.300 -0.020 0.000 2.584 500 W HA -0.033 4.627 4.660 0.001 0.000 0.264 500 W C 0.407 177.008 176.519 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 0.746 120.728 119.950 0.052 0.000 2.797 501 F HA 0.061 4.588 4.527 0.001 0.000 0.302 501 F C 1.199 176.852 175.800 -0.245 0.000 1.130 501 F CA -0.314 57.588 58.000 -0.162 0.000 1.387 501 F CB -1.041 37.863 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 5.145 4.570 0.001 0.000 0.396 502 c C 0.628 174.770 174.090 0.086 0.000 1.279 502 c CA -1.458 54.948 56.329 0.128 0.000 2.148 502 c CB -0.325 42.300 42.510 0.192 0.000 2.584 502 c HN 0.332 nan 8.230 nan 0.000 0.579 503 I N -0.527 120.154 120.570 0.185 0.000 2.493 503 I HA 0.531 4.702 4.170 0.001 0.000 0.298 503 I C -0.196 176.031 176.117 0.184 0.000 0.998 503 I CA -0.316 61.024 61.300 0.067 0.000 1.137 503 I CB 1.217 39.244 38.000 0.044 0.000 1.310 503 I HN 0.725 nan 8.210 nan 0.000 0.445 504 E N 3.852 124.162 120.200 0.183 0.000 2.289 504 E HA 0.159 4.510 4.350 0.001 0.000 0.278 504 E C -0.232 176.369 176.600 0.003 0.000 1.032 504 E CA -0.392 56.079 56.400 0.118 0.000 0.854 504 E CB 1.475 31.327 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 -0.046 0.000 2.537 505 L HA 0.280 4.621 4.340 0.001 0.000 0.224 505 L C -0.219 176.654 176.870 0.005 0.000 1.065 505 L CA 0.812 55.647 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 -1.122 119.243 120.400 -0.059 0.000 2.766 506 D HA 0.254 4.895 4.640 0.001 0.000 0.244 506 D C -1.536 174.722 176.300 -0.069 0.000 1.198 506 D CA -0.427 53.579 54.000 0.009 0.000 0.739 506 D CB 1.385 42.253 40.800 0.113 0.000 1.379 506 D HN -0.273 nan 8.370 nan 0.000 0.437 507 K N 2.517 122.918 120.400 0.001 0.000 2.616 507 K HA 0.423 4.744 4.320 0.001 0.000 0.255 507 K C -1.623 174.934 176.600 -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 0.383 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 5.160 4.527 0.001 0.000 0.308 508 F C -1.666 173.995 175.800 -0.232 0.000 1.097 508 F CA -1.341 56.486 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 1.789 121.926 119.950 0.313 0.000 2.404 509 F HA 0.664 5.191 4.527 0.001 0.000 0.354 509 F C -0.017 175.981 175.800 0.331 0.000 1.122 509 F CA -0.571 57.563 58.000 0.222 0.000 1.080 509 F CB 1.672 40.721 39.000 0.081 0.000 1.131 509 F HN 0.646 nan 8.300 nan 0.000 0.471 510 Q N 2.565 122.713 119.800 0.580 0.000 2.394 510 Q HA 0.540 4.881 4.340 0.001 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 2.010 31.082 28.738 0.558 0.000 1.353 510 Q HN 0.583 nan 8.270 nan 0.000 0.438 511 K N 0.929 121.472 120.400 0.239 0.000 2.118 511 K HA 0.584 4.905 4.320 0.001 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 0.199 0.000 0.916 511 K CB 1.458 34.035 32.500 0.129 0.000 1.041 511 K HN 0.269 nan 8.250 nan 0.000 0.455 512 V N 3.627 123.661 119.914 0.200 0.000 2.394 512 V HA 0.278 4.398 4.120 0.001 0.000 0.282 512 V C -1.701 174.455 176.094 0.102 0.000 1.031 512 V CA -2.037 60.367 62.300 0.174 0.000 0.881 512 V CB 0.913 32.871 31.823 0.224 0.000 0.982 512 V HN 0.796 nan 8.190 nan 0.000 0.451 513 P HA 0.025 nan 4.420 nan 0.000 0.280 513 P C 0.511 177.830 177.300 0.033 0.000 1.278 513 P CA -0.138 62.992 63.100 0.051 0.000 0.787 513 P CB 0.788 32.515 31.700 0.045 0.000 1.163 514 S N -1.820 113.893 115.700 0.021 0.000 2.660 514 S HA 0.371 4.841 4.470 0.001 0.000 0.227 514 S C 0.407 175.009 174.600 0.003 0.000 0.948 514 S CA 0.035 58.239 58.200 0.007 0.000 0.948 514 S CB -1.224 61.978 63.200 0.004 0.000 0.779 514 S HN 0.789 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 4.408 3.960 0.001 0.000 0.291 515 G HA3 0.448 4.408 3.960 0.001 0.000 0.291 515 G C -3.280 171.632 174.900 0.019 0.000 1.456 515 G CA -1.107 43.998 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 64.264 63.100 0.024 0.000 0.910 516 P CB 0.170 31.881 31.700 0.018 0.000 0.849 517 E N 2.088 122.314 120.200 0.044 0.000 2.601 517 E HA 0.537 4.888 4.350 0.001 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 1.546 116.118 114.554 0.031 0.000 3.223 518 T HA 0.272 4.623 4.350 0.001 0.000 0.334 518 T C -0.674 174.031 174.700 0.008 0.000 0.940 518 T CA -0.509 61.608 62.100 0.027 0.000 1.272 518 T CB -0.197 68.686 68.868 0.025 0.000 0.982 518 T HN 0.356 nan 8.240 nan 0.000 0.512 519 I N 1.050 121.613 120.570 -0.012 0.000 2.474 519 I HA 0.571 4.742 4.170 0.001 0.000 0.287 519 I C 0.400 176.500 176.117 -0.028 0.000 1.048 519 I CA -0.551 60.711 61.300 -0.063 0.000 1.383 519 I CB 0.925 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 7.387 127.564 120.200 -0.038 0.000 2.238 520 E HA 0.574 4.924 4.350 0.001 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 2.701 32.389 29.700 -0.020 0.000 1.187 520 E HN 0.749 nan 8.360 nan 0.000 0.416 521 R N 2.370 122.856 120.500 -0.023 0.000 2.634 521 R HA 0.213 4.554 4.340 0.001 0.000 0.263 521 R C -1.722 174.485 176.300 -0.155 0.000 1.060 521 R CA -0.504 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 0.632 116.184 115.700 -0.248 0.000 2.537 522 S HA 0.069 4.539 4.470 0.001 0.000 0.275 522 S C 1.439 175.770 174.600 -0.448 0.000 1.272 522 S CA 0.342 58.329 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 4.684 119.928 115.700 -0.760 0.000 2.399 523 S HA -0.257 4.213 4.470 0.001 0.000 0.235 523 S C 1.600 176.029 174.600 -0.285 0.000 1.063 523 S CA 1.980 59.716 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 0.647 120.917 120.400 -0.216 0.000 2.062 524 K HA -0.021 4.299 4.320 0.001 0.000 0.205 524 K C 1.388 177.914 176.600 -0.123 0.000 1.051 524 K CA 1.429 57.643 56.287 -0.121 0.000 0.941 524 K CB -0.290 32.151 32.500 -0.099 0.000 0.719 524 K HN 0.574 nan 8.250 nan 0.000 0.440 525 D N 1.259 121.566 120.400 -0.154 0.000 2.338 525 D HA -0.036 4.605 4.640 0.001 0.000 0.239 525 D C 0.388 176.622 176.300 -0.110 0.000 1.095 525 D CA 0.206 54.122 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 0.798 116.450 115.700 -0.080 0.000 2.554 526 S HA -0.044 4.426 4.470 0.001 0.000 0.290 526 S C 1.551 176.149 174.600 -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 2.449 118.169 115.700 0.033 0.000 2.528 527 S HA 0.008 4.479 4.470 0.001 0.000 0.219 527 S C 1.217 175.848 174.600 0.051 0.000 0.985 527 S CA 0.373 58.599 58.200 0.043 0.000 0.914 527 S CB -0.192 63.043 63.200 0.058 0.000 0.776 527 S HN 1.112 nan 8.310 nan 0.000 0.526 528 V N -1.293 118.643 119.914 0.037 0.000 3.342 528 V HA 0.427 4.548 4.120 0.001 0.000 0.322 528 V C 0.068 176.152 176.094 -0.016 0.000 1.370 528 V CA -0.164 62.154 62.300 0.029 0.000 1.170 528 V CB -0.549 31.286 31.823 0.020 0.000 1.101 528 V HN 0.264 nan 8.190 nan 0.000 0.442 529 T N 0.148 114.696 114.554 -0.010 0.000 2.924 529 T HA 0.757 5.107 4.350 0.001 0.000 0.291 529 T C -0.887 173.802 174.700 -0.019 0.000 1.045 529 T CA -0.317 61.768 62.100 -0.025 0.000 1.015 529 T CB 2.364 71.225 68.868 -0.012 0.000 1.103 529 T HN 0.117 nan 8.240 nan 0.000 0.496 530 V N 4.057 123.964 119.914 -0.012 0.000 2.841 530 V HA 0.536 4.657 4.120 0.001 0.000 0.310 530 V C -2.180 173.937 176.094 0.038 0.000 1.090 530 V CA -1.964 60.343 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 0.233 nan 4.420 nan 0.000 0.274 531 P C -1.079 176.323 177.300 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 0.500 121.003 120.400 0.173 0.000 2.368 532 D HA 0.241 4.881 4.640 0.001 0.000 0.240 532 D C 0.393 176.846 176.300 0.256 0.000 1.169 532 D CA 0.331 54.448 54.000 0.195 0.000 0.906 532 D CB -0.118 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 0.491 120.222 119.600 0.218 0.000 2.528 533 M HA 0.408 4.889 4.480 0.001 0.000 0.318 533 M C -2.277 174.017 176.300 -0.011 0.000 1.195 533 M CA -1.917 53.396 55.300 0.021 0.000 1.000 533 M CB 0.288 32.831 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 0.091 63.088 63.100 -0.172 0.000 0.765 534 P CB 0.275 31.781 31.700 -0.324 0.000 0.806 535 S N 1.673 117.387 115.700 0.024 0.000 2.600 535 S HA 0.083 4.554 4.470 0.001 0.000 0.265 535 S C 1.036 175.713 174.600 0.128 0.000 1.325 535 S CA -0.574 57.678 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 -0.092 4.435 4.527 0.001 0.000 0.297 536 F C 2.505 178.305 175.800 0.001 0.000 1.123 536 F CA 2.507 60.498 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 -0.273 4.067 4.340 0.001 0.000 0.207 537 Q C 2.517 178.439 176.000 -0.129 0.000 0.996 537 Q CA 3.028 58.735 55.803 -0.160 0.000 0.851 537 Q CB -0.695 28.017 28.738 -0.043 0.000 0.921 537 Q HN 0.470 nan 8.270 nan 0.000 0.418 538 S N -0.223 115.451 115.700 -0.043 0.000 2.400 538 S HA -0.194 4.277 4.470 0.001 0.000 0.234 538 S C 1.742 176.309 174.600 -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 0.175 121.370 121.223 -0.046 0.000 2.599 539 L HA 0.216 4.557 4.340 0.001 0.000 0.230 539 L C 2.367 179.179 176.870 -0.096 0.000 1.141 539 L CA 0.583 55.395 54.840 -0.048 0.000 0.877 539 L CB -0.191 41.868 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 4.270 4.320 0.001 0.000 0.205 540 K C 1.941 178.479 176.600 -0.103 0.000 1.042 540 K CA 0.823 56.990 56.287 -0.199 0.000 0.949 540 K CB -0.048 32.262 32.500 -0.318 0.000 0.740 540 K HN 0.144 nan 8.250 nan 0.000 0.442 541 E N 0.922 121.068 120.200 -0.089 0.000 2.113 541 E HA -0.320 4.031 4.350 0.001 0.000 0.210 541 E C 2.163 178.737 176.600 -0.043 0.000 1.040 541 E CA 1.761 58.130 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 -0.593 119.179 119.800 -0.047 0.000 2.167 542 Q HA -0.103 4.238 4.340 0.001 0.000 0.202 542 Q C 2.207 178.176 176.000 -0.051 0.000 0.970 542 Q CA 1.030 56.809 55.803 -0.040 0.000 0.855 542 Q CB -0.047 28.669 28.738 -0.035 0.000 0.911 542 Q HN 0.261 nan 8.270 nan 0.000 0.438 543 A N 1.624 124.405 122.820 -0.065 0.000 1.855 543 A HA -0.208 4.113 4.320 0.001 0.000 0.215 543 A C 1.673 179.210 177.584 -0.078 0.000 1.191 543 A CA 1.670 53.656 52.037 -0.084 0.000 0.613 543 A CB -0.485 18.453 19.000 -0.104 0.000 0.829 543 A HN 0.204 nan 8.150 nan 0.000 0.442 544 D N 0.498 120.864 120.400 -0.057 0.000 2.103 544 D HA -0.148 4.492 4.640 0.001 0.000 0.190 544 D C 1.318 177.599 176.300 -0.030 0.000 0.997 544 D CA 1.442 55.425 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 0.328 nan 8.370 nan 0.000 0.447 545 N N 0.003 118.685 118.700 -0.031 0.000 2.635 545 N HA -0.057 4.683 4.740 0.001 0.000 0.191 545 N C 0.683 176.171 175.510 -0.036 0.000 1.155 545 N CA 0.571 53.606 53.050 -0.026 0.000 0.927 545 N CB 0.056 38.530 38.487 -0.021 0.000 0.976 545 N HN 0.137 nan 8.380 nan 0.000 0.448 546 A N -0.900 121.885 122.820 -0.058 0.000 2.538 546 A HA 0.241 4.562 4.320 0.001 0.000 0.269 546 A C 1.603 179.128 177.584 -0.097 0.000 1.231 546 A CA -0.268 51.726 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 -2.198 117.673 119.914 -0.072 0.000 2.575 547 V HA 0.178 4.299 4.120 0.001 0.000 0.242 547 V C 1.320 177.394 176.094 -0.034 0.000 1.045 547 V CA 1.122 63.381 62.300 -0.067 0.000 1.065 547 V CB -1.527 30.265 31.823 -0.052 0.000 0.717 547 V HN 0.597 nan 8.190 nan 0.000 0.467 548 N N 0.331 119.018 118.700 -0.021 0.000 2.949 548 N HA 0.538 5.278 4.740 0.001 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 0.830 nan 8.380 nan 0.000 0.508 549 G N -1.593 107.201 108.800 -0.011 0.000 4.226 549 G HA2 0.511 4.471 3.960 0.001 0.000 0.220 549 G HA3 0.511 4.471 3.960 0.001 0.000 0.220 549 G C 0.796 175.696 174.900 0.001 0.000 0.817 549 G CA 1.166 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 0.001 0.000 0.238 550 G HA3 0.162 4.122 3.960 0.001 0.000 0.238 550 G C -0.205 174.722 174.900 0.044 0.000 1.647 550 G CA 0.500 45.616 45.100 0.027 0.000 1.146 550 G HN 1.741 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 0.001 0.000 0.325 551 H C -0.213 175.096 175.328 -0.032 0.000 1.146 551 H CA 0.311 56.341 56.048 -0.030 0.000 1.351 551 H CB 1.344 31.086 29.762 -0.034 0.000 2.005 551 H HN 0.862 nan 8.280 nan 0.000 0.517 552 D N 3.172 123.640 120.400 0.113 0.000 3.753 552 D HA -0.052 4.588 4.640 0.001 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 0.701 41.571 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 -0.116 4.224 4.340 0.001 0.000 0.668 553 L C -1.218 175.667 176.870 0.026 0.000 1.211 553 L CA 0.511 55.354 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 3.040 123.459 120.400 0.031 0.000 2.438 554 D HA 0.442 5.082 4.640 0.001 0.000 0.257 554 D C 0.321 176.640 176.300 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 0.991 122.248 121.223 0.056 0.000 3.014 555 L HA 0.336 4.676 4.340 0.001 0.000 0.263 555 L C 0.628 177.560 176.870 0.103 0.000 1.207 555 L CA -0.658 54.255 54.840 0.122 0.000 1.017 555 L CB -0.261 41.896 42.059 0.163 0.000 1.360 555 L HN -0.006 nan 8.230 nan 0.000 0.560 556 S N 0.743 116.455 115.700 0.019 0.000 2.515 556 S HA 0.570 5.041 4.470 0.001 0.000 0.285 556 S C 0.958 175.496 174.600 -0.104 0.000 1.265 556 S CA 0.671 58.859 58.200 -0.019 0.000 1.079 556 S CB 0.582 63.761 63.200 -0.034 0.000 0.877 556 S HN 0.736 nan 8.310 nan 0.000 0.493 557 A N 4.795 127.503 122.820 -0.186 0.000 2.263 557 A HA 0.198 4.519 4.320 0.001 0.000 0.150 557 A C 0.013 177.214 177.584 -0.638 0.000 1.963 557 A CA -0.219 51.476 52.037 -0.571 0.000 1.452 557 A CB -0.287 18.139 19.000 -0.957 0.000 1.568 557 A HN 0.773 nan 8.150 nan 0.000 0.323 558 Y N 1.745 122.022 120.300 -0.038 0.000 2.715 558 Y HA 0.343 4.893 4.550 0.001 0.000 0.255 558 Y C 0.396 176.268 175.900 -0.047 0.000 1.139 558 Y CA 0.085 58.164 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 0.361 120.585 120.200 0.039 0.000 2.354 559 E HA 0.402 4.753 4.350 0.001 0.000 0.252 559 E C 0.552 177.137 176.600 -0.025 0.000 1.330 559 E CA -0.020 56.384 56.400 0.007 0.000 1.658 559 E CB 0.377 30.069 29.700 -0.013 0.000 1.460 559 E HN 0.460 nan 8.360 nan 0.000 0.435 560 R N -0.610 119.881 120.500 -0.015 0.000 4.335 560 R HA 0.040 4.380 4.340 0.001 0.000 0.050 560 R C -0.430 175.871 176.300 0.002 0.000 0.766 560 R CA 0.192 56.271 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 1.071 116.773 115.700 0.005 0.000 3.866 561 S HA -0.248 4.223 4.470 0.001 0.000 0.232 561 S C 0.921 175.585 174.600 0.107 0.000 0.711 561 S CA 0.352 58.579 58.200 0.045 0.000 1.361 561 S CB -0.826 62.416 63.200 0.069 0.000 1.635 561 S HN 0.474 nan 8.310 nan 0.000 0.388 562 c N 2.641 121.321 118.600 0.133 0.000 2.466 562 c HA 0.114 4.685 4.570 0.001 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 0.254 0.000 1.722 562 c CB -1.494 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 4.327 3.960 0.001 0.000 0.271 563 G HA3 0.367 4.327 3.960 0.001 0.000 0.271 563 G C -0.069 174.672 174.900 -0.266 0.000 1.300 563 G CA -0.099 44.987 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 4.634 4.170 0.001 0.000 0.316 564 I C -2.565 173.463 176.117 -0.148 0.000 1.001 564 I CA -2.645 58.424 61.300 -0.386 0.000 1.142 564 I CB 1.588 39.367 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 0.406 63.473 63.100 -0.054 0.000 0.763 565 P CB 0.506 32.161 31.700 -0.075 0.000 0.810 566 D N 3.403 123.810 120.400 0.012 0.000 2.182 566 D HA -0.198 4.442 4.640 0.001 0.000 0.201 566 D C 1.615 177.997 176.300 0.136 0.000 0.986 566 D CA 1.438 55.483 54.000 0.076 0.000 0.847 566 D CB 0.106 40.945 40.800 0.065 0.000 0.942 566 D HN 0.330 nan 8.370 nan 0.000 0.467 567 R N -0.289 120.220 120.500 0.014 0.000 2.152 567 R HA -0.068 4.272 4.340 0.001 0.000 0.232 567 R C 1.676 178.009 176.300 0.055 0.000 1.117 567 R CA 1.024 57.114 56.100 -0.018 0.000 0.981 567 R CB -0.445 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 0.739 120.347 119.600 0.014 0.000 2.495 568 M HA 0.095 4.575 4.480 0.001 0.000 0.237 568 M C 1.694 177.969 176.300 -0.040 0.000 1.131 568 M CA 0.065 55.355 55.300 -0.015 0.000 1.032 568 M CB -0.452 32.117 32.600 -0.052 0.000 1.513 568 M HN 0.129 nan 8.290 nan 0.000 0.488 569 L N 1.539 122.754 121.223 -0.014 0.000 2.013 569 L HA -0.216 4.124 4.340 0.001 0.000 0.239 569 L C 0.584 177.329 176.870 -0.207 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 -0.192 120.834 121.223 -0.329 0.000 2.456 570 L HA 0.334 4.674 4.340 0.001 0.000 0.257 570 L C -1.894 174.740 176.870 -0.394 0.000 1.162 570 L CA -2.004 52.595 54.840 -0.403 0.000 0.808 570 L CB -1.016 40.756 42.059 -0.479 0.000 1.136 570 L HN 0.200 nan 8.230 nan 0.000 0.466 571 P HA 0.093 nan 4.420 nan 0.000 0.274 571 P C 0.115 177.168 177.300 -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 1.221 121.425 120.400 -0.327 0.000 2.001 572 K HA -0.096 4.224 4.320 0.001 0.000 0.208 572 K C 0.840 177.192 176.600 -0.413 0.000 1.048 572 K CA 1.787 57.804 56.287 -0.450 0.000 0.932 572 K CB -0.485 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 4.238 4.470 0.001 0.000 0.632 573 S C -0.562 173.960 174.600 -0.130 0.000 2.690 573 S CA 0.851 58.992 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 2.128 122.515 120.400 -0.021 0.000 2.185 574 K HA 0.695 5.016 4.320 0.001 0.000 0.240 574 K C -1.963 174.744 176.600 0.179 0.000 0.983 574 K CA -1.637 54.704 56.287 0.091 0.000 0.873 574 K CB 0.739 33.355 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 1.059 64.278 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 -0.195 120.100 120.200 0.158 0.000 2.170 576 E HA 0.260 4.611 4.350 0.001 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 1.075 109.925 108.800 0.082 0.000 2.587 577 G HA2 -0.033 3.928 3.960 0.001 0.000 0.686 577 G HA3 -0.033 3.928 3.960 0.001 0.000 0.686 577 G C -0.734 174.140 174.900 -0.045 0.000 1.236 577 G CA -0.486 44.629 45.100 0.024 0.000 0.820 577 G HN 0.034 nan 8.290 nan 0.000 0.645 578 M N 0.070 119.574 119.600 -0.160 0.000 2.631 578 M HA 0.658 5.139 4.480 0.001 0.000 0.288 578 M C -0.528 175.451 176.300 -0.536 0.000 1.260 578 M CA -1.004 54.059 55.300 -0.396 0.000 0.842 578 M CB 2.584 34.806 32.600 -0.630 0.000 1.743 578 M HN 0.546 nan 8.290 nan 0.000 0.461 579 E N 1.476 121.362 120.200 -0.523 0.000 2.145 579 E HA 0.605 4.956 4.350 0.001 0.000 0.270 579 E C -1.561 174.721 176.600 -0.531 0.000 0.906 579 E CA -0.419 55.768 56.400 -0.355 0.000 0.761 579 E CB 1.559 31.172 29.700 -0.145 0.000 1.116 579 E HN 0.353 nan 8.360 nan 0.000 0.408 580 F N 1.076 121.039 119.950 0.022 0.000 2.461 580 F HA 0.317 4.844 4.527 0.001 0.000 0.332 580 F C 0.800 176.655 175.800 0.092 0.000 1.073 580 F CA -1.065 56.971 58.000 0.060 0.000 1.017 580 F CB 0.752 39.750 39.000 -0.003 0.000 1.301 580 F HN 0.317 nan 8.300 nan 0.000 0.492 581 N N 1.600 120.500 118.700 0.333 0.000 2.444 581 N HA 0.326 5.066 4.740 0.001 0.000 0.262 581 N C -1.530 174.160 175.510 0.300 0.000 0.974 581 N CA -0.375 52.846 53.050 0.284 0.000 0.933 581 N CB 1.133 39.800 38.487 0.299 0.000 1.137 581 N HN 0.627 nan 8.380 nan 0.000 0.498 582 L N 3.650 125.001 121.223 0.213 0.000 2.295 582 L HA 0.520 4.860 4.340 0.001 0.000 0.285 582 L C -1.334 175.610 176.870 0.123 0.000 1.035 582 L CA -0.676 54.289 54.840 0.209 0.000 0.806 582 L CB 0.590 42.754 42.059 0.175 0.000 1.214 582 L HN 0.420 nan 8.230 nan 0.000 0.426 583 Y N 3.944 124.357 120.300 0.188 0.000 2.335 583 Y HA 0.549 5.100 4.550 0.001 0.000 0.338 583 Y C -0.371 175.621 175.900 0.153 0.000 0.977 583 Y CA -0.532 57.693 58.100 0.207 0.000 1.114 583 Y CB 2.107 40.730 38.460 0.272 0.000 1.182 583 Y HN 0.261 nan 8.280 nan 0.000 0.463 584 V N 3.749 123.752 119.914 0.149 0.000 2.444 584 V HA 0.809 4.929 4.120 0.001 0.000 0.294 584 V C -0.466 175.710 176.094 0.136 0.000 1.022 584 V CA -0.844 61.514 62.300 0.098 0.000 0.850 584 V CB 1.356 33.211 31.823 0.054 0.000 0.992 584 V HN 0.832 nan 8.190 nan 0.000 0.426 585 A N 4.319 127.222 122.820 0.137 0.000 2.343 585 A HA 0.859 5.180 4.320 0.001 0.000 0.316 585 A C -0.856 176.724 177.584 -0.006 0.000 1.104 585 A CA -0.665 51.447 52.037 0.126 0.000 0.768 585 A CB 1.932 21.058 19.000 0.210 0.000 1.213 585 A HN 1.208 nan 8.150 nan 0.000 0.456 586 V N 3.253 123.136 119.914 -0.052 0.000 2.407 586 V HA 0.744 4.865 4.120 0.001 0.000 0.291 586 V C 0.149 176.164 176.094 -0.133 0.000 1.018 586 V CA 0.469 62.624 62.300 -0.241 0.000 0.842 586 V CB 1.267 32.788 31.823 -0.505 0.000 0.996 586 V HN 1.346 nan 8.190 nan 0.000 0.426 587 T N 2.318 116.710 114.554 -0.271 0.000 2.912 587 T HA 0.388 4.739 4.350 0.001 0.000 0.280 587 T C -0.092 174.058 174.700 -0.917 0.000 0.989 587 T CA -0.467 61.385 62.100 -0.412 0.000 0.995 587 T CB 1.518 70.248 68.868 -0.231 0.000 1.077 587 T HN 0.767 nan 8.240 nan 0.000 0.531 588 D N 0.260 119.948 120.400 -1.188 0.000 2.453 588 D HA 0.237 4.878 4.640 0.001 0.000 0.223 588 D C 1.631 177.584 176.300 -0.579 0.000 1.183 588 D CA 0.093 53.306 54.000 -1.312 0.000 0.933 588 D CB 0.265 40.468 40.800 -0.994 0.000 1.038 588 D HN 0.792 nan 8.370 nan 0.000 0.513 589 G N 3.853 112.401 108.800 -0.420 0.000 2.597 589 G HA2 -0.348 3.612 3.960 0.001 0.000 0.222 589 G HA3 -0.348 3.612 3.960 0.001 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 4.674 4.640 0.001 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 -0.239 120.041 120.400 -0.199 0.000 2.354 591 K HA 0.002 4.322 4.320 0.001 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 4.530 4.640 0.001 0.000 0.207 592 D C 0.949 177.131 176.300 -0.197 0.000 0.976 592 D CA 1.572 55.451 54.000 -0.202 0.000 0.875 592 D CB -0.467 40.231 40.800 -0.169 0.000 1.009 592 D HN 0.176 nan 8.370 nan 0.000 0.449 593 T N -0.258 114.101 114.554 -0.325 0.000 3.953 593 T HA -0.002 4.349 4.350 0.001 0.000 0.236 593 T C 0.671 175.191 174.700 -0.300 0.000 0.861 593 T CA -0.114 61.789 62.100 -0.329 0.000 0.909 593 T CB -0.626 67.864 68.868 -0.629 0.000 1.240 593 T HN 0.141 nan 8.240 nan 0.000 0.683 594 E N 0.565 120.612 120.200 -0.255 0.000 2.322 594 E HA 0.191 4.542 4.350 0.001 0.000 0.195 594 E C 1.144 177.542 176.600 -0.335 0.000 1.198 594 E CA 0.043 56.299 56.400 -0.240 0.000 1.132 594 E CB -0.867 28.731 29.700 -0.170 0.000 1.213 594 E HN 0.791 nan 8.360 nan 0.000 0.450 595 G N 0.434 108.915 108.800 -0.533 0.000 4.251 595 G HA2 0.005 3.965 3.960 0.001 0.000 0.147 595 G HA3 0.005 3.965 3.960 0.001 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 4.509 4.320 0.001 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 0.306 0.000 2.274 608 Q HA 0.161 4.502 4.340 0.001 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 -0.413 28.582 28.738 0.429 0.000 0.956 608 Q HN 0.451 nan 8.270 nan 0.000 0.516 609 c N 1.916 120.701 118.600 0.309 0.000 2.184 609 c HA 0.573 5.143 4.570 0.001 0.000 0.328 609 c C 1.161 175.367 174.090 0.193 0.000 1.081 609 c CA -0.900 55.568 56.329 0.232 0.000 1.533 609 c CB -0.503 42.056 42.510 0.082 0.000 1.905 609 c HN 0.534 nan 8.230 nan 0.000 0.439 610 G N 3.440 112.411 108.800 0.284 0.000 3.397 610 G HA2 0.110 4.071 3.960 0.001 0.000 0.248 610 G HA3 0.110 4.071 3.960 0.001 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 3.885 4.120 0.001 0.000 0.257 611 V C 1.628 177.776 176.094 0.090 0.000 1.088 611 V CA 1.688 63.898 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 -1.847 117.159 119.070 -0.107 0.000 2.467 612 H HA 0.430 4.987 4.556 0.001 0.000 0.275 612 H C 1.466 176.616 175.328 -0.296 0.000 1.131 612 H CA 0.363 56.210 56.048 -0.334 0.000 0.989 612 H CB 0.560 30.069 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 0.254 0.000 2.218 613 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 613 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 613 G C 0.029 175.080 174.900 0.253 0.000 0.994 613 G CA -0.587 44.729 45.100 0.360 0.000 0.637 613 G HN 0.437 nan 8.290 nan 0.000 0.505 614 E N 1.435 121.741 120.200 0.177 0.000 2.491 614 E HA 0.425 4.775 4.350 0.001 0.000 0.250 614 E C 0.868 177.552 176.600 0.140 0.000 1.061 614 E CA 0.184 56.660 56.400 0.127 0.000 0.942 614 E CB 0.718 30.477 29.700 0.097 0.000 0.957 614 E HN 0.781 nan 8.360 nan 0.000 0.480 615 A N 4.400 127.266 122.820 0.077 0.000 2.545 615 A HA -0.094 4.227 4.320 0.001 0.000 0.253 615 A C -0.331 177.224 177.584 -0.048 0.000 1.074 615 A CA -0.126 51.907 52.037 -0.006 0.000 0.760 615 A CB -0.197 18.727 19.000 -0.125 0.000 1.005 615 A HN 0.613 nan 8.150 nan 0.000 0.506 616 Y N 6.228 126.482 120.300 -0.076 0.000 2.805 616 Y HA 0.075 4.625 4.550 0.001 0.000 0.331 616 Y C -0.988 174.832 175.900 -0.133 0.000 1.241 616 Y CA -0.762 57.322 58.100 -0.027 0.000 1.546 616 Y CB 0.636 39.104 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 -0.079 177.247 177.300 0.044 0.000 1.152 617 P CA 0.891 63.932 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 -0.132 120.202 120.400 -0.110 0.000 2.264 618 D HA 0.073 4.713 4.640 0.001 0.000 0.249 618 D C 0.679 177.025 176.300 0.076 0.000 1.070 618 D CA -0.279 53.745 54.000 0.040 0.000 0.912 618 D CB 0.571 41.356 40.800 -0.024 0.000 1.193 618 D HN -0.221 nan 8.370 nan 0.000 0.427 619 N N 1.696 120.436 118.700 0.067 0.000 2.273 619 N HA 0.029 4.770 4.740 0.001 0.000 0.192 619 N C 0.068 175.592 175.510 0.023 0.000 1.132 619 N CA -0.137 52.965 53.050 0.087 0.000 0.887 619 N CB 0.363 38.870 38.487 0.033 0.000 1.048 619 N HN 0.217 nan 8.380 nan 0.000 0.490 620 R N 1.883 122.337 120.500 -0.077 0.000 2.784 620 R HA 0.163 4.504 4.340 0.001 0.000 0.266 620 R C -1.694 174.611 176.300 0.008 0.000 1.044 620 R CA -1.215 54.772 56.100 -0.188 0.000 1.151 620 R CB -0.432 29.504 30.300 -0.605 0.000 1.037 620 R HN 0.159 nan 8.270 nan 0.000 0.478 621 P HA 0.083 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 32.347 31.700 0.213 0.000 1.311 622 L N -1.141 120.078 121.223 -0.007 0.000 2.307 622 L HA 0.571 4.911 4.340 0.001 0.000 0.284 622 L C 1.120 177.675 176.870 -0.526 0.000 1.023 622 L CA 0.870 55.476 54.840 -0.389 0.000 0.810 622 L CB 1.043 42.742 42.059 -0.599 0.000 1.231 622 L HN 0.818 nan 8.230 nan 0.000 0.423 623 G N 2.032 110.502 108.800 -0.550 0.000 2.175 623 G HA2 -0.289 3.671 3.960 0.001 0.000 0.182 623 G HA3 -0.289 3.671 3.960 0.001 0.000 0.182 623 G C -0.178 174.684 174.900 -0.063 0.000 1.003 623 G CA -0.514 44.435 45.100 -0.251 0.000 0.666 623 G HN 0.493 nan 8.290 nan 0.000 0.506 624 Y N 3.058 123.340 120.300 -0.029 0.000 2.805 624 Y HA 0.392 4.942 4.550 0.001 0.000 0.331 624 Y C -1.426 174.509 175.900 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 0.142 nan 4.420 nan 0.000 0.263 625 P C -0.236 176.878 177.300 -0.311 0.000 1.821 625 P CA 0.236 62.839 63.100 -0.829 0.000 1.186 625 P CB 0.060 31.007 31.700 -1.254 0.000 1.623 626 L N 0.435 121.487 121.223 -0.284 0.000 2.628 626 L HA 0.115 4.455 4.340 0.001 0.000 0.229 626 L C 2.060 178.935 176.870 0.008 0.000 1.137 626 L CA 0.346 55.061 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 1.144 121.397 120.200 0.087 0.000 2.502 627 E HA -0.056 4.294 4.350 0.001 0.000 0.194 627 E C 0.619 177.315 176.600 0.160 0.000 1.062 627 E CA 0.087 56.639 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 0.582 121.129 120.500 0.077 0.000 2.832 628 R HA 0.376 4.716 4.340 0.001 0.000 0.271 628 R C -0.126 176.138 176.300 -0.061 0.000 0.996 628 R CA -0.895 55.173 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 2.094 122.527 120.500 -0.111 0.000 2.583 629 R HA 0.030 4.370 4.340 0.001 0.000 0.274 629 R C -0.239 176.029 176.300 -0.053 0.000 0.998 629 R CA 0.878 56.922 56.100 -0.094 0.000 1.081 629 R CB 0.220 30.449 30.300 -0.118 0.000 0.940 629 R HN 0.472 nan 8.270 nan 0.000 0.413 630 I N 5.927 126.479 120.570 -0.030 0.000 2.714 630 I HA 0.158 4.329 4.170 0.001 0.000 0.276 630 I C -1.814 174.300 176.117 -0.005 0.000 1.196 630 I CA -1.758 59.541 61.300 -0.002 0.000 1.068 630 I CB 1.858 39.858 38.000 0.001 0.000 1.291 630 I HN 0.352 nan 8.210 nan 0.000 0.530 631 P HA -0.057 nan 4.420 nan 0.000 0.217 631 P C -0.338 176.970 177.300 0.013 0.000 1.154 631 P CA 1.153 64.250 63.100 -0.005 0.000 0.841 631 P CB 0.034 31.729 31.700 -0.008 0.000 0.788 632 D N -1.222 119.193 120.400 0.027 0.000 2.593 632 D HA 0.082 4.722 4.640 0.001 0.000 0.251 632 D C 0.422 176.754 176.300 0.053 0.000 1.140 632 D CA -0.867 53.155 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 2.184 122.420 120.200 0.059 0.000 2.338 633 E HA -0.157 4.193 4.350 0.001 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 0.001 0.000 0.258 634 R C 1.920 178.279 176.300 0.098 0.000 1.173 634 R CA 1.975 58.123 56.100 0.081 0.000 0.991 634 R CB -0.121 30.216 30.300 0.063 0.000 0.879 634 R HN 0.149 nan 8.270 nan 0.000 0.460 635 V N -0.819 119.155 119.914 0.100 0.000 2.500 635 V HA -0.091 4.030 4.120 0.001 0.000 0.243 635 V C 1.975 178.138 176.094 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 31.511 31.823 0.107 0.000 0.695 635 V HN 0.142 nan 8.190 nan 0.000 0.463 636 I N 1.091 121.726 120.570 0.109 0.000 2.264 636 I HA -0.253 3.918 4.170 0.001 0.000 0.248 636 I C 1.979 178.182 176.117 0.144 0.000 1.111 636 I CA 1.637 63.006 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 0.158 120.654 120.400 0.160 0.000 2.389 637 D HA -0.081 4.560 4.640 0.001 0.000 0.221 637 D C 1.643 178.019 176.300 0.126 0.000 0.974 637 D CA 1.236 55.328 54.000 0.153 0.000 0.923 637 D CB -0.228 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 -0.157 108.728 108.800 0.142 0.000 4.238 638 G HA2 0.289 4.250 3.960 0.001 0.000 0.292 638 G HA3 0.289 4.250 3.960 0.001 0.000 0.292 638 G C -0.176 174.856 174.900 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 0.064 120.040 119.914 0.103 0.000 2.435 639 V HA 0.635 4.756 4.120 0.001 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 1.604 33.337 31.823 -0.150 0.000 0.983 639 V HN 0.296 nan 8.190 nan 0.000 0.445 640 S N 3.584 119.318 115.700 0.056 0.000 2.402 640 S HA -0.183 4.287 4.470 0.001 0.000 0.229 640 S C 1.137 175.767 174.600 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 0.741 119.476 118.700 0.059 0.000 2.375 641 N HA 0.297 5.038 4.740 0.001 0.000 0.220 641 N C -0.383 175.173 175.510 0.076 0.000 1.170 641 N CA -0.166 52.934 53.050 0.082 0.000 0.833 641 N CB -0.070 38.514 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 0.001 0.000 0.295 642 I C -0.726 175.444 176.117 0.089 0.000 1.114 642 I CA -0.852 60.512 61.300 0.107 0.000 1.038 642 I CB 2.370 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 4.000 124.440 120.400 0.066 0.000 2.542 643 K HA 0.477 4.797 4.320 0.001 0.000 0.259 643 K C -1.517 175.039 176.600 -0.074 0.000 0.932 643 K CA -0.790 55.500 56.287 0.004 0.000 0.820 643 K CB 1.801 34.299 32.500 -0.003 0.000 1.345 643 K HN 0.744 nan 8.250 nan 0.000 0.432 644 H N -0.554 118.364 119.070 -0.253 0.000 2.637 644 H HA 0.823 5.379 4.556 0.001 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 0.113 nan 8.280 nan 0.000 0.531 645 V N 3.899 123.824 119.914 0.019 0.000 2.789 645 V HA 0.420 4.540 4.120 0.001 0.000 0.311 645 V C -0.429 175.718 176.094 0.089 0.000 1.073 645 V CA -0.810 61.499 62.300 0.016 0.000 0.921 645 V CB 2.120 33.952 31.823 0.016 0.000 1.009 645 V HN 0.937 nan 8.190 nan 0.000 0.426 646 V N 7.357 127.323 119.914 0.086 0.000 2.649 646 V HA 0.754 4.874 4.120 0.001 0.000 0.292 646 V C -0.182 175.963 176.094 0.085 0.000 1.055 646 V CA 0.382 62.747 62.300 0.108 0.000 1.023 646 V CB 1.580 33.455 31.823 0.088 0.000 0.992 646 V HN 0.929 nan 8.190 nan 0.000 0.480 647 V N 2.801 122.776 119.914 0.101 0.000 3.234 647 V HA 0.752 4.872 4.120 0.001 0.000 0.317 647 V C -0.274 175.853 176.094 0.054 0.000 1.147 647 V CA -0.967 61.379 62.300 0.076 0.000 1.037 647 V CB 1.564 33.441 31.823 0.090 0.000 1.148 647 V HN 1.214 nan 8.190 nan 0.000 0.455 648 K N 0.625 121.041 120.400 0.027 0.000 2.535 648 K HA 0.639 4.960 4.320 0.001 0.000 0.251 648 K C -2.103 174.502 176.600 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 34.845 32.500 -0.034 0.000 1.267 648 K HN 0.823 nan 8.250 nan 0.000 0.434 649 I N 4.219 124.822 120.570 0.054 0.000 2.509 649 I HA 0.399 4.569 4.170 0.001 0.000 0.293 649 I C -0.451 175.680 176.117 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 40.138 38.000 0.164 0.000 1.267 649 I HN 0.353 nan 8.210 nan 0.000 0.430 650 V N 2.299 122.194 119.914 -0.032 0.000 2.680 650 V HA 0.436 4.557 4.120 0.001 0.000 0.309 650 V C -0.815 175.268 176.094 -0.018 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 2.049 121.090 119.070 -0.050 0.000 2.581 651 H HA 0.473 5.029 4.556 0.001 0.000 0.308 651 H C -0.256 175.128 175.328 0.094 0.000 1.040 651 H CA -0.476 55.541 56.048 -0.052 0.000 1.231 651 H CB 0.294 30.027 29.762 -0.048 0.000 1.396 651 H HN 0.829 nan 8.280 nan 0.000 0.467 652 H N 4.721 123.669 119.070 -0.204 0.000 2.819 652 H HA 0.048 4.605 4.556 0.001 0.000 0.303 652 H C 0.285 175.344 175.328 -0.448 0.000 1.058 652 H CA -0.772 55.132 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 4.341 4.340 0.001 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