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 2is2_1_A DATA FIRST_RESID 2 DATA SEQUENCE DVSYLLDSLN DKQREAVAAP RSNLLVLAGA GSGKTRVLVH RIAWLMSVEN DATA SEQUENCE CSPYSIMAVT FTNKAAAEMR HRIGQLMGTS QGGMWVGTFH GLAHRLLRAH DATA SEQUENCE HMDANLPQDF QILDSEDQLR LLKRLIKAMN LDEKQWPPRQ AMWYINSQKD DATA SEQUENCE EGLRPHHIQS YGNPVEQTWQ KVYQAYQEAC DRAGLVDFAE LLLRAHELWL DATA SEQUENCE NKPHILQHYR ERFTNILVDE FQDTNNIQYA WIRLLAGDTG KVMIVGDDDQ DATA SEQUENCE SIYGWRGAQV ENIQRFLNDF PGAETIRLEQ NYRSTSNILS AANALIENNN DATA SEQUENCE GRLGKKLWTD GADGEPISLY CAFNELDEAR FVVNRIKTWQ DNGGALAECA DATA SEQUENCE ILYRSNAQSR VLEEALLQAS MPYRIYGGMR FFERQEIKDA LSYLRLIVNR DATA SEQUENCE NDDAAFERVV NTPTRGIGDR TLDVVRQTSR DRQLTLWQAC RELLQEKALA DATA SEQUENCE GRAASALQRF MELIDALAQE TADMPLHVQT DRVIKDSGLR TMYEQEKGEK DATA SEQUENCE GQTRIENLEE LVTATRQFSY XXXDEDLMPL QAFLSHAALE AGEGQADTWQ DATA SEQUENCE DAVQLMTLHS AKGLEFPQVF IVGMEEGMFP SQMSLDEGGR LEEERRLAYV DATA SEQUENCE GVTRAMQKLT LTYAETRRLY GKEVYHRPSR FIGELPEECV EEVRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.324 176.300 0.041 0.000 2.045 2 D CA 0.000 54.003 54.000 0.004 0.000 0.868 2 D CB 0.000 40.778 40.800 -0.037 0.000 0.688 3 V N -1.494 118.471 119.914 0.085 0.000 3.214 3 V HA 0.899 5.020 4.120 0.002 0.000 0.306 3 V C 0.207 176.407 176.094 0.178 0.000 1.078 3 V CA 0.182 62.563 62.300 0.135 0.000 1.077 3 V CB 1.343 33.263 31.823 0.161 0.000 1.121 3 V HN 1.078 nan 8.190 nan 0.000 0.468 4 S N 1.939 117.754 115.700 0.192 0.000 2.575 4 S HA 0.688 5.159 4.470 0.002 0.000 0.278 4 S C -0.893 173.801 174.600 0.156 0.000 1.139 4 S CA -0.006 58.260 58.200 0.110 0.000 0.954 4 S CB 1.343 64.618 63.200 0.127 0.000 1.054 4 S HN 1.147 nan 8.310 nan 0.000 0.483 5 Y N 0.234 120.600 120.300 0.110 0.000 2.888 5 Y HA 0.466 5.017 4.550 0.002 0.000 0.260 5 Y C 0.101 176.079 175.900 0.129 0.000 1.113 5 Y CA -0.551 57.601 58.100 0.087 0.000 1.237 5 Y CB -0.610 37.895 38.460 0.074 0.000 1.307 5 Y HN 0.431 nan 8.280 nan 0.000 0.580 6 L N 0.083 121.052 121.223 -0.423 0.000 2.664 6 L HA 0.331 4.672 4.340 0.002 0.000 0.233 6 L C 1.242 177.991 176.870 -0.202 0.000 1.113 6 L CA 0.239 55.002 54.840 -0.129 0.000 0.896 6 L CB 0.308 42.366 42.059 -0.001 0.000 1.163 6 L HN 0.301 nan 8.230 nan 0.000 0.497 7 L N -0.965 120.164 121.223 -0.156 0.000 2.515 7 L HA 0.154 4.495 4.340 0.002 0.000 0.202 7 L C 1.644 178.435 176.870 -0.131 0.000 1.056 7 L CA 0.118 54.855 54.840 -0.172 0.000 0.847 7 L CB -0.248 41.754 42.059 -0.095 0.000 1.131 7 L HN -0.005 nan 8.230 nan 0.000 0.484 8 D N 0.641 121.013 120.400 -0.047 0.000 2.280 8 D HA -0.189 4.452 4.640 0.002 0.000 0.206 8 D C 2.152 178.431 176.300 -0.035 0.000 0.988 8 D CA 1.720 55.711 54.000 -0.015 0.000 0.886 8 D CB 0.042 40.865 40.800 0.038 0.000 0.914 8 D HN 0.324 nan 8.370 nan 0.000 0.473 9 S N -1.142 114.508 115.700 -0.083 0.000 2.548 9 S HA 0.084 4.555 4.470 0.002 0.000 0.215 9 S C 0.942 175.456 174.600 -0.144 0.000 0.976 9 S CA -0.344 57.804 58.200 -0.087 0.000 0.908 9 S CB 0.081 63.241 63.200 -0.066 0.000 0.781 9 S HN 0.087 nan 8.310 nan 0.000 0.519 10 L N 2.388 123.496 121.223 -0.191 0.000 2.469 10 L HA 0.462 4.803 4.340 0.002 0.000 0.253 10 L C 0.320 177.142 176.870 -0.079 0.000 1.143 10 L CA -1.041 53.691 54.840 -0.179 0.000 0.804 10 L CB 0.155 42.073 42.059 -0.235 0.000 1.214 10 L HN 0.328 nan 8.230 nan 0.000 0.476 11 N N -1.524 117.152 118.700 -0.042 0.000 2.472 11 N HA 0.099 4.840 4.740 0.002 0.000 0.289 11 N C 0.111 175.633 175.510 0.020 0.000 1.156 11 N CA -0.606 52.469 53.050 0.042 0.000 0.940 11 N CB 0.773 39.343 38.487 0.138 0.000 1.200 11 N HN 0.421 nan 8.380 nan 0.000 0.511 12 D N 0.507 120.936 120.400 0.049 0.000 2.157 12 D HA -0.201 4.440 4.640 0.002 0.000 0.191 12 D C 1.207 177.513 176.300 0.011 0.000 1.004 12 D CA 1.656 55.673 54.000 0.027 0.000 0.854 12 D CB 0.143 40.973 40.800 0.049 0.000 0.936 12 D HN 0.531 nan 8.370 nan 0.000 0.446 13 K N 0.510 120.936 120.400 0.044 0.000 2.057 13 K HA -0.065 4.256 4.320 0.002 0.000 0.206 13 K C 2.298 178.886 176.600 -0.019 0.000 1.050 13 K CA 0.735 57.038 56.287 0.027 0.000 0.935 13 K CB -0.382 32.162 32.500 0.073 0.000 0.715 13 K HN 0.351 nan 8.250 nan 0.000 0.439 14 Q N 0.292 120.075 119.800 -0.029 0.000 2.061 14 Q HA -0.141 4.200 4.340 0.002 0.000 0.204 14 Q C 2.305 178.225 176.000 -0.132 0.000 0.984 14 Q CA 1.407 57.165 55.803 -0.074 0.000 0.846 14 Q CB -0.196 28.490 28.738 -0.086 0.000 0.902 14 Q HN 0.224 nan 8.270 nan 0.000 0.421 15 R N 1.199 121.614 120.500 -0.142 0.000 2.094 15 R HA -0.256 4.085 4.340 0.002 0.000 0.239 15 R C 2.078 178.247 176.300 -0.218 0.000 1.137 15 R CA 1.958 57.935 56.100 -0.205 0.000 0.943 15 R CB -0.256 29.953 30.300 -0.151 0.000 0.850 15 R HN 0.331 nan 8.270 nan 0.000 0.433 16 E N -0.626 119.493 120.200 -0.135 0.000 2.233 16 E HA -0.236 4.115 4.350 0.002 0.000 0.199 16 E C 1.471 177.987 176.600 -0.141 0.000 1.004 16 E CA 1.442 57.773 56.400 -0.115 0.000 0.819 16 E CB -0.033 29.632 29.700 -0.058 0.000 0.738 16 E HN 0.538 nan 8.360 nan 0.000 0.478 17 A N -0.166 122.562 122.820 -0.154 0.000 1.901 17 A HA 0.017 4.338 4.320 0.002 0.000 0.210 17 A C 2.313 179.749 177.584 -0.247 0.000 1.208 17 A CA 0.659 52.605 52.037 -0.153 0.000 0.644 17 A CB -0.362 18.573 19.000 -0.109 0.000 0.863 17 A HN 0.169 nan 8.150 nan 0.000 0.454 18 V N 0.306 120.027 119.914 -0.322 0.000 2.287 18 V HA -0.243 3.878 4.120 0.002 0.000 0.248 18 V C 2.732 178.212 176.094 -1.024 0.000 1.053 18 V CA 2.047 64.051 62.300 -0.493 0.000 1.027 18 V CB -1.061 30.501 31.823 -0.434 0.000 0.646 18 V HN 0.563 nan 8.190 nan 0.000 0.447 19 A N -0.448 121.735 122.820 -1.062 0.000 2.259 19 A HA 0.552 4.873 4.320 0.002 0.000 0.208 19 A C 1.262 178.607 177.584 -0.399 0.000 1.201 19 A CA 0.561 51.832 52.037 -1.278 0.000 0.824 19 A CB -0.620 17.867 19.000 -0.854 0.000 0.838 19 A HN 0.537 nan 8.150 nan 0.000 0.485 20 A N 1.312 123.959 122.820 -0.289 0.000 2.409 20 A HA 0.489 4.809 4.320 0.002 0.000 0.246 20 A C -2.032 175.575 177.584 0.037 0.000 1.099 20 A CA -0.754 51.232 52.037 -0.086 0.000 0.789 20 A CB -0.230 18.725 19.000 -0.074 0.000 1.053 20 A HN 0.347 nan 8.150 nan 0.000 0.503 21 P HA 0.236 nan 4.420 nan 0.000 0.284 21 P C -0.851 176.505 177.300 0.093 0.000 1.258 21 P CA -0.647 62.519 63.100 0.109 0.000 0.824 21 P CB 0.657 32.404 31.700 0.079 0.000 1.038 22 R N 1.457 122.022 120.500 0.108 0.000 2.513 22 R HA 0.216 4.557 4.340 0.002 0.000 0.333 22 R C 0.618 176.955 176.300 0.063 0.000 0.925 22 R CA 0.917 57.069 56.100 0.086 0.000 1.072 22 R CB -0.403 29.943 30.300 0.077 0.000 0.914 22 R HN 0.754 nan 8.270 nan 0.000 0.408 23 S N 1.969 117.703 115.700 0.057 0.000 2.669 23 S HA 0.226 4.697 4.470 0.002 0.000 0.266 23 S C -1.313 173.321 174.600 0.056 0.000 1.149 23 S CA -1.240 56.992 58.200 0.053 0.000 0.842 23 S CB 1.130 64.358 63.200 0.046 0.000 1.160 23 S HN 0.492 nan 8.310 nan 0.000 0.487 24 N N 1.589 120.326 118.700 0.063 0.000 2.419 24 N HA 0.623 5.364 4.740 0.002 0.000 0.264 24 N C -0.513 175.077 175.510 0.133 0.000 1.031 24 N CA -0.283 52.824 53.050 0.094 0.000 0.951 24 N CB 0.949 39.432 38.487 -0.008 0.000 1.101 24 N HN 0.729 nan 8.380 nan 0.000 0.488 25 L N -1.127 120.174 121.223 0.130 0.000 2.341 25 L HA 0.760 5.101 4.340 0.002 0.000 0.254 25 L C -1.173 175.669 176.870 -0.047 0.000 1.040 25 L CA -1.348 53.543 54.840 0.086 0.000 0.837 25 L CB 1.684 43.750 42.059 0.012 0.000 1.425 25 L HN 0.172 nan 8.230 nan 0.000 0.414 26 L N 1.763 122.951 121.223 -0.058 0.000 2.377 26 L HA 0.606 4.947 4.340 0.002 0.000 0.270 26 L C -1.071 175.731 176.870 -0.113 0.000 0.991 26 L CA -0.315 54.407 54.840 -0.197 0.000 0.851 26 L CB 1.672 43.661 42.059 -0.117 0.000 1.218 26 L HN 0.446 nan 8.230 nan 0.000 0.420 27 V N 6.015 125.852 119.914 -0.127 0.000 2.389 27 V HA 0.225 4.346 4.120 0.002 0.000 0.264 27 V C 0.205 176.270 176.094 -0.048 0.000 1.049 27 V CA -0.368 61.891 62.300 -0.069 0.000 0.932 27 V CB 0.969 32.754 31.823 -0.063 0.000 1.011 27 V HN 0.654 nan 8.190 nan 0.000 0.475 28 L N 6.346 127.557 121.223 -0.020 0.000 2.358 28 L HA 0.589 4.930 4.340 0.002 0.000 0.274 28 L C 0.754 177.633 176.870 0.016 0.000 1.136 28 L CA -0.081 54.759 54.840 0.000 0.000 0.970 28 L CB -0.010 42.056 42.059 0.011 0.000 1.314 28 L HN 0.700 nan 8.230 nan 0.000 0.427 29 A N 2.915 125.744 122.820 0.015 0.000 2.366 29 A HA 0.590 4.911 4.320 0.002 0.000 0.272 29 A C 1.006 178.614 177.584 0.040 0.000 1.135 29 A CA 0.119 52.170 52.037 0.023 0.000 0.804 29 A CB 0.418 19.427 19.000 0.015 0.000 1.064 29 A HN 0.803 nan 8.150 nan 0.000 0.499 30 G N 1.225 110.053 108.800 0.047 0.000 3.820 30 G HA2 0.603 4.564 3.960 0.002 0.000 0.293 30 G HA3 0.603 4.564 3.960 0.002 0.000 0.293 30 G C 0.450 175.391 174.900 0.068 0.000 1.152 30 G CA 0.678 45.824 45.100 0.078 0.000 0.921 30 G HN 2.357 nan 8.290 nan 0.000 0.544 31 A N -1.120 121.722 122.820 0.037 0.000 2.432 31 A HA 0.472 4.793 4.320 0.002 0.000 0.685 31 A C 1.444 179.018 177.584 -0.017 0.000 0.141 31 A CA 0.804 52.844 52.037 0.006 0.000 0.039 31 A CB -1.069 17.926 19.000 -0.008 0.000 3.967 31 A HN 2.351 nan 8.150 nan 0.000 0.547 32 G N 1.058 109.850 108.800 -0.013 0.000 2.179 32 G HA2 -0.132 3.829 3.960 0.002 0.000 0.260 32 G HA3 -0.132 3.829 3.960 0.002 0.000 0.260 32 G C 1.337 176.271 174.900 0.057 0.000 0.977 32 G CA 1.392 46.496 45.100 0.007 0.000 0.641 32 G HN 2.202 nan 8.290 nan 0.000 0.533 33 S N -0.299 115.415 115.700 0.023 0.000 2.387 33 S HA 0.346 4.817 4.470 0.002 0.000 0.226 33 S C 2.116 176.718 174.600 0.004 0.000 1.026 33 S CA 1.501 59.719 58.200 0.029 0.000 0.972 33 S CB -0.109 63.100 63.200 0.015 0.000 0.814 33 S HN 2.283 nan 8.310 nan 0.000 0.477 34 G N 2.236 111.018 108.800 -0.031 0.000 2.167 34 G HA2 -0.238 3.723 3.960 0.002 0.000 0.194 34 G HA3 -0.238 3.723 3.960 0.002 0.000 0.194 34 G C 0.608 175.486 174.900 -0.036 0.000 1.027 34 G CA 0.364 45.422 45.100 -0.070 0.000 0.717 34 G HN 0.551 nan 8.290 nan 0.000 0.501 35 K N -0.919 119.472 120.400 -0.015 0.000 2.211 35 K HA -0.087 4.234 4.320 0.002 0.000 0.204 35 K C 1.950 178.550 176.600 0.000 0.000 1.047 35 K CA 1.903 58.187 56.287 -0.005 0.000 0.935 35 K CB -0.375 32.129 32.500 0.006 0.000 0.728 35 K HN 0.233 nan 8.250 nan 0.000 0.452 36 T N 1.117 115.671 114.554 0.000 0.000 2.812 36 T HA -0.083 4.268 4.350 0.002 0.000 0.264 36 T C 1.864 176.571 174.700 0.012 0.000 1.042 36 T CA 1.237 63.341 62.100 0.006 0.000 1.140 36 T CB -0.143 68.728 68.868 0.005 0.000 0.870 36 T HN 0.375 nan 8.240 nan 0.000 0.445 37 R N 0.585 121.094 120.500 0.015 0.000 2.073 37 R HA -0.087 4.254 4.340 0.002 0.000 0.234 37 R C 2.324 178.696 176.300 0.119 0.000 1.134 37 R CA 1.248 57.392 56.100 0.073 0.000 0.952 37 R CB -0.563 29.769 30.300 0.054 0.000 0.850 37 R HN 0.209 nan 8.270 nan 0.000 0.433 38 V N 1.573 121.513 119.914 0.044 0.000 2.255 38 V HA -0.294 3.827 4.120 0.002 0.000 0.247 38 V C 2.449 178.560 176.094 0.028 0.000 1.051 38 V CA 1.945 64.258 62.300 0.022 0.000 1.018 38 V CB -0.468 31.341 31.823 -0.023 0.000 0.641 38 V HN 0.371 nan 8.190 nan 0.000 0.445 39 L N -0.402 120.829 121.223 0.012 0.000 2.043 39 L HA -0.218 4.123 4.340 0.002 0.000 0.212 39 L C 2.449 179.325 176.870 0.010 0.000 1.075 39 L CA 1.484 56.328 54.840 0.008 0.000 0.752 39 L CB -0.765 41.298 42.059 0.007 0.000 0.891 39 L HN 0.247 nan 8.230 nan 0.000 0.432 40 V N -1.170 118.742 119.914 -0.004 0.000 2.307 40 V HA -0.275 3.846 4.120 0.002 0.000 0.245 40 V C 2.480 178.521 176.094 -0.089 0.000 1.045 40 V CA 1.608 63.870 62.300 -0.062 0.000 1.024 40 V CB -0.784 30.964 31.823 -0.125 0.000 0.651 40 V HN 0.440 nan 8.190 nan 0.000 0.449 41 H N -0.054 119.012 119.070 -0.007 0.000 2.353 41 H HA -0.138 4.419 4.556 0.001 0.000 0.300 41 H C 2.544 177.895 175.328 0.039 0.000 1.090 41 H CA 2.081 58.130 56.048 0.001 0.000 1.327 41 H CB -0.048 29.687 29.762 -0.046 0.000 1.383 41 H HN 0.207 nan 8.280 nan 0.000 0.508 42 R N 1.519 122.085 120.500 0.110 0.000 2.112 42 R HA -0.137 4.204 4.340 0.002 0.000 0.242 42 R C 2.470 178.867 176.300 0.161 0.000 1.137 42 R CA 1.451 57.601 56.100 0.083 0.000 0.944 42 R CB -1.121 29.190 30.300 0.018 0.000 0.857 42 R HN 0.315 nan 8.270 nan 0.000 0.435 43 I N 0.237 120.865 120.570 0.098 0.000 2.151 43 I HA -0.311 3.860 4.170 0.002 0.000 0.243 43 I C 2.340 178.522 176.117 0.107 0.000 1.080 43 I CA 1.619 62.974 61.300 0.091 0.000 1.339 43 I CB -0.574 37.456 38.000 0.050 0.000 1.039 43 I HN 0.364 nan 8.210 nan 0.000 0.409 44 A N 0.506 123.382 122.820 0.093 0.000 1.933 44 A HA -0.255 4.066 4.320 0.002 0.000 0.218 44 A C 2.253 179.928 177.584 0.152 0.000 1.175 44 A CA 1.310 53.402 52.037 0.092 0.000 0.628 44 A CB -1.027 18.006 19.000 0.055 0.000 0.814 44 A HN 0.740 nan 8.150 nan 0.000 0.444 45 W N 0.629 121.924 121.300 -0.009 0.000 2.379 45 W HA -0.137 4.524 4.660 0.001 0.000 0.307 45 W C 1.626 178.145 176.519 -0.001 0.000 1.200 45 W CA 1.500 58.835 57.345 -0.015 0.000 1.297 45 W CB -0.459 28.993 29.460 -0.013 0.000 1.140 45 W HN 0.275 nan 8.180 nan 0.000 0.507 46 L N 0.373 121.755 121.223 0.266 0.000 2.129 46 L HA -0.303 4.038 4.340 0.002 0.000 0.212 46 L C 2.462 179.351 176.870 0.031 0.000 1.087 46 L CA 1.635 56.559 54.840 0.139 0.000 0.757 46 L CB -0.573 41.572 42.059 0.142 0.000 0.896 46 L HN 0.118 nan 8.230 nan 0.000 0.434 47 M N -1.998 117.620 119.600 0.030 0.000 2.398 47 M HA -0.078 4.403 4.480 0.002 0.000 0.261 47 M C 2.436 178.710 176.300 -0.043 0.000 1.125 47 M CA 0.990 56.294 55.300 0.008 0.000 1.183 47 M CB -0.104 32.517 32.600 0.034 0.000 1.322 47 M HN 0.051 nan 8.290 nan 0.000 0.467 48 S N 0.587 116.253 115.700 -0.056 0.000 2.344 48 S HA -0.115 4.356 4.470 0.002 0.000 0.217 48 S C 1.962 176.423 174.600 -0.232 0.000 1.033 48 S CA 1.497 59.637 58.200 -0.099 0.000 1.017 48 S CB -0.431 62.735 63.200 -0.056 0.000 0.941 48 S HN 0.202 nan 8.310 nan 0.000 0.430 49 V N 1.795 121.423 119.914 -0.478 0.000 2.346 49 V HA -0.014 4.106 4.120 0.002 0.000 0.244 49 V C 2.168 178.008 176.094 -0.422 0.000 1.037 49 V CA 1.279 63.184 62.300 -0.659 0.000 1.029 49 V CB -0.470 30.443 31.823 -1.517 0.000 0.663 49 V HN 0.377 nan 8.190 nan 0.000 0.454 50 E N -0.208 119.785 120.200 -0.344 0.000 2.489 50 E HA 0.020 4.371 4.350 0.002 0.000 0.193 50 E C 0.051 176.597 176.600 -0.090 0.000 1.057 50 E CA -0.120 56.187 56.400 -0.154 0.000 0.866 50 E CB -0.201 29.464 29.700 -0.058 0.000 0.916 50 E HN 0.562 nan 8.360 nan 0.000 0.500 51 N N 0.725 119.367 118.700 -0.097 0.000 2.714 51 N HA -0.170 4.571 4.740 0.002 0.000 0.253 51 N C -0.612 174.885 175.510 -0.023 0.000 1.024 51 N CA 0.586 53.605 53.050 -0.053 0.000 0.726 51 N CB -1.814 36.641 38.487 -0.053 0.000 0.908 51 N HN 0.158 nan 8.380 nan 0.000 0.542 52 C N 0.313 119.610 119.300 -0.004 0.000 2.335 52 C HA 0.557 5.018 4.460 0.002 0.000 0.363 52 C C 1.047 176.062 174.990 0.041 0.000 1.198 52 C CA -0.499 58.530 59.018 0.018 0.000 2.279 52 C CB 1.555 29.316 27.740 0.035 0.000 2.334 52 C HN 0.454 nan 8.230 nan 0.000 0.559 53 S N 2.707 118.444 115.700 0.063 0.000 2.525 53 S HA 0.299 4.770 4.470 0.002 0.000 0.290 53 S C -1.732 172.968 174.600 0.166 0.000 1.152 53 S CA -0.777 57.501 58.200 0.129 0.000 1.072 53 S CB 1.133 64.423 63.200 0.150 0.000 1.027 53 S HN 0.675 nan 8.310 nan 0.000 0.500 54 P HA -0.165 nan 4.420 nan 0.000 0.229 54 P C 0.031 177.305 177.300 -0.044 0.000 1.147 54 P CA 1.326 64.447 63.100 0.034 0.000 0.766 54 P CB -0.171 31.501 31.700 -0.046 0.000 0.775 55 Y N -0.240 120.062 120.300 0.004 0.000 2.462 55 Y HA 0.066 4.617 4.550 0.001 0.000 0.261 55 Y C 2.378 178.118 175.900 -0.268 0.000 1.146 55 Y CA 0.689 58.729 58.100 -0.100 0.000 1.283 55 Y CB -0.329 38.044 38.460 -0.144 0.000 1.090 55 Y HN 0.073 nan 8.280 nan 0.000 0.526 56 S N -0.986 114.734 115.700 0.033 0.000 2.540 56 S HA 0.290 4.760 4.470 0.002 0.000 0.218 56 S C 0.247 174.967 174.600 0.199 0.000 0.977 56 S CA -0.161 58.037 58.200 -0.003 0.000 0.918 56 S CB -0.257 62.948 63.200 0.007 0.000 0.806 56 S HN 0.155 nan 8.310 nan 0.000 0.496 57 I N 2.194 122.920 120.570 0.259 0.000 2.377 57 I HA 0.491 4.662 4.170 0.002 0.000 0.293 57 I C -0.400 175.916 176.117 0.332 0.000 0.987 57 I CA -0.470 60.986 61.300 0.260 0.000 1.185 57 I CB 1.765 39.859 38.000 0.157 0.000 1.341 57 I HN 0.191 nan 8.210 nan 0.000 0.455 58 M N 6.369 126.079 119.600 0.184 0.000 2.124 58 M HA 0.629 5.110 4.480 0.002 0.000 0.280 58 M C -1.519 174.787 176.300 0.010 0.000 0.954 58 M CA -0.438 54.880 55.300 0.030 0.000 0.958 58 M CB 1.500 33.916 32.600 -0.307 0.000 1.611 58 M HN 0.667 nan 8.290 nan 0.000 0.449 59 A N 4.873 127.705 122.820 0.020 0.000 2.260 59 A HA 0.683 5.004 4.320 0.002 0.000 0.314 59 A C -0.974 176.564 177.584 -0.076 0.000 1.257 59 A CA -0.557 51.472 52.037 -0.015 0.000 0.871 59 A CB 0.720 19.724 19.000 0.005 0.000 1.166 59 A HN 0.626 nan 8.150 nan 0.000 0.522 60 V N 3.994 123.821 119.914 -0.145 0.000 2.347 60 V HA 0.471 4.592 4.120 0.002 0.000 0.280 60 V C 0.584 176.489 176.094 -0.316 0.000 1.021 60 V CA -0.148 61.946 62.300 -0.343 0.000 0.847 60 V CB 0.931 32.377 31.823 -0.628 0.000 0.990 60 V HN 1.067 nan 8.190 nan 0.000 0.444 61 T N 1.104 115.509 114.554 -0.248 0.000 2.864 61 T HA 0.584 4.935 4.350 0.002 0.000 0.276 61 T C 0.450 175.085 174.700 -0.109 0.000 1.006 61 T CA -0.254 61.812 62.100 -0.057 0.000 0.970 61 T CB 1.235 70.114 68.868 0.019 0.000 1.420 61 T HN 0.186 nan 8.240 nan 0.000 0.601 62 F N 0.831 120.779 119.950 -0.004 0.000 2.637 62 F HA 0.266 4.794 4.527 0.001 0.000 0.284 62 F C 1.508 177.307 175.800 -0.002 0.000 1.105 62 F CA 0.032 58.057 58.000 0.041 0.000 1.356 62 F CB 0.327 39.347 39.000 0.034 0.000 1.096 62 F HN 0.702 nan 8.300 nan 0.000 0.616 63 T N -2.275 112.374 114.554 0.158 0.000 2.888 63 T HA 0.280 4.631 4.350 0.002 0.000 0.284 63 T C 0.740 175.452 174.700 0.020 0.000 1.017 63 T CA -0.791 61.348 62.100 0.065 0.000 1.022 63 T CB 1.526 70.431 68.868 0.063 0.000 1.013 63 T HN -0.093 nan 8.240 nan 0.000 0.465 64 N N 1.350 120.043 118.700 -0.012 0.000 2.149 64 N HA -0.144 4.597 4.740 0.002 0.000 0.188 64 N C 1.700 177.208 175.510 -0.004 0.000 1.019 64 N CA 1.104 54.140 53.050 -0.024 0.000 0.857 64 N CB -0.242 38.220 38.487 -0.042 0.000 0.997 64 N HN 0.723 nan 8.380 nan 0.000 0.426 65 K N 1.144 121.549 120.400 0.008 0.000 2.020 65 K HA -0.162 4.159 4.320 0.002 0.000 0.212 65 K C 2.005 178.619 176.600 0.023 0.000 1.050 65 K CA 1.590 57.888 56.287 0.019 0.000 0.929 65 K CB -0.135 32.385 32.500 0.033 0.000 0.714 65 K HN 0.101 nan 8.250 nan 0.000 0.443 66 A N 1.117 123.957 122.820 0.033 0.000 1.841 66 A HA -0.184 4.137 4.320 0.002 0.000 0.216 66 A C 2.398 179.996 177.584 0.023 0.000 1.199 66 A CA 2.493 54.551 52.037 0.036 0.000 0.621 66 A CB -1.312 17.721 19.000 0.056 0.000 0.835 66 A HN 0.547 nan 8.150 nan 0.000 0.445 67 A N -0.247 122.579 122.820 0.009 0.000 1.896 67 A HA -0.076 4.245 4.320 0.002 0.000 0.220 67 A C 2.588 180.176 177.584 0.007 0.000 1.206 67 A CA 3.371 55.405 52.037 -0.005 0.000 0.647 67 A CB -1.440 17.543 19.000 -0.028 0.000 0.828 67 A HN 1.424 nan 8.150 nan 0.000 0.455 68 A N -0.641 122.184 122.820 0.008 0.000 1.869 68 A HA -0.299 4.022 4.320 0.002 0.000 0.218 68 A C 2.103 179.712 177.584 0.041 0.000 1.203 68 A CA 2.330 54.377 52.037 0.017 0.000 0.638 68 A CB -0.848 18.156 19.000 0.006 0.000 0.831 68 A HN 0.745 nan 8.150 nan 0.000 0.450 69 E N -1.093 119.130 120.200 0.037 0.000 2.058 69 E HA -0.290 4.061 4.350 0.002 0.000 0.194 69 E C 2.013 178.658 176.600 0.075 0.000 0.997 69 E CA 1.769 58.206 56.400 0.061 0.000 0.801 69 E CB -0.249 29.476 29.700 0.041 0.000 0.746 69 E HN 0.543 nan 8.360 nan 0.000 0.450 70 M N 0.859 120.485 119.600 0.043 0.000 2.110 70 M HA -0.267 4.214 4.480 0.002 0.000 0.257 70 M C 2.261 178.577 176.300 0.027 0.000 1.071 70 M CA 1.996 57.312 55.300 0.026 0.000 1.096 70 M CB -0.151 32.458 32.600 0.016 0.000 1.300 70 M HN -0.008 nan 8.290 nan 0.000 0.411 71 R N -1.560 118.961 120.500 0.034 0.000 2.094 71 R HA -0.252 4.089 4.340 0.002 0.000 0.239 71 R C 2.345 178.670 176.300 0.042 0.000 1.137 71 R CA 2.191 58.310 56.100 0.032 0.000 0.943 71 R CB -1.122 29.197 30.300 0.032 0.000 0.850 71 R HN 0.623 nan 8.270 nan 0.000 0.433 72 H N 0.724 119.785 119.070 -0.015 0.000 2.289 72 H HA -0.130 4.427 4.556 0.001 0.000 0.296 72 H C 2.123 177.439 175.328 -0.020 0.000 1.091 72 H CA 2.201 58.239 56.048 -0.016 0.000 1.274 72 H CB -0.013 29.739 29.762 -0.015 0.000 1.364 72 H HN 0.015 nan 8.280 nan 0.000 0.490 73 R N -0.259 120.187 120.500 -0.090 0.000 2.091 73 R HA -0.077 4.264 4.340 0.002 0.000 0.238 73 R C 2.638 178.844 176.300 -0.157 0.000 1.136 73 R CA 1.776 57.785 56.100 -0.151 0.000 0.959 73 R CB -0.268 30.004 30.300 -0.046 0.000 0.856 73 R HN 0.432 nan 8.270 nan 0.000 0.437 74 I N -0.604 119.904 120.570 -0.103 0.000 2.286 74 I HA -0.178 3.993 4.170 0.002 0.000 0.248 74 I C 2.309 178.374 176.117 -0.086 0.000 1.115 74 I CA 1.495 62.744 61.300 -0.084 0.000 1.392 74 I CB -0.541 37.434 38.000 -0.041 0.000 1.065 74 I HN 0.312 nan 8.210 nan 0.000 0.418 75 G N -0.223 108.514 108.800 -0.105 0.000 2.650 75 G HA2 -0.120 3.841 3.960 0.002 0.000 0.214 75 G HA3 -0.120 3.841 3.960 0.002 0.000 0.214 75 G C 1.563 176.385 174.900 -0.130 0.000 1.136 75 G CA 0.092 45.135 45.100 -0.096 0.000 0.789 75 G HN 0.277 nan 8.290 nan 0.000 0.536 76 Q N -0.662 119.022 119.800 -0.194 0.000 2.354 76 Q HA 0.165 4.506 4.340 0.002 0.000 0.203 76 Q C 2.141 178.088 176.000 -0.088 0.000 0.933 76 Q CA 0.328 56.024 55.803 -0.177 0.000 0.901 76 Q CB 0.184 28.769 28.738 -0.255 0.000 1.007 76 Q HN 0.498 nan 8.270 nan 0.000 0.495 77 L N -0.713 120.463 121.223 -0.079 0.000 2.357 77 L HA 0.163 4.504 4.340 0.002 0.000 0.211 77 L C 1.022 177.909 176.870 0.029 0.000 1.075 77 L CA 0.951 55.779 54.840 -0.019 0.000 0.830 77 L CB 0.249 42.251 42.059 -0.095 0.000 0.996 77 L HN 0.003 nan 8.230 nan 0.000 0.467 78 M N 0.396 119.993 119.600 -0.006 0.000 2.859 78 M HA 0.349 4.830 4.480 0.002 0.000 0.297 78 M C 1.127 177.424 176.300 -0.004 0.000 1.268 78 M CA -0.261 55.047 55.300 0.013 0.000 1.003 78 M CB -1.347 31.257 32.600 0.006 0.000 1.308 78 M HN 0.238 nan 8.290 nan 0.000 0.502 79 G N 2.035 110.827 108.800 -0.013 0.000 2.029 79 G HA2 -0.152 3.808 3.960 0.002 0.000 0.254 79 G HA3 -0.152 3.808 3.960 0.002 0.000 0.254 79 G C 0.259 175.149 174.900 -0.016 0.000 0.705 79 G CA 1.264 46.350 45.100 -0.023 0.000 0.866 79 G HN 0.519 nan 8.290 nan 0.000 0.420 80 T N -1.527 113.018 114.554 -0.016 0.000 2.629 80 T HA 0.388 4.739 4.350 0.002 0.000 0.239 80 T C 1.424 176.120 174.700 -0.006 0.000 1.149 80 T CA 0.295 62.391 62.100 -0.006 0.000 1.202 80 T CB 0.314 69.185 68.868 0.004 0.000 1.891 80 T HN 0.096 nan 8.240 nan 0.000 0.430 81 S N 0.110 115.811 115.700 0.002 0.000 2.738 81 S HA 0.211 4.682 4.470 0.002 0.000 0.216 81 S C -0.644 173.955 174.600 -0.001 0.000 0.968 81 S CA -0.103 58.099 58.200 0.003 0.000 0.879 81 S CB 0.007 63.213 63.200 0.011 0.000 0.837 81 S HN 0.594 nan 8.310 nan 0.000 0.622 82 Q N 0.351 120.152 119.800 0.001 0.000 2.367 82 Q HA -0.068 4.273 4.340 0.002 0.000 0.292 82 Q C -0.201 175.769 176.000 -0.049 0.000 1.368 82 Q CA 0.732 56.527 55.803 -0.014 0.000 0.683 82 Q CB -2.128 26.606 28.738 -0.007 0.000 1.061 82 Q HN 0.602 nan 8.270 nan 0.000 0.362 83 G N -0.927 107.836 108.800 -0.061 0.000 2.444 83 G HA2 0.555 4.516 3.960 0.002 0.000 0.268 83 G HA3 0.555 4.516 3.960 0.002 0.000 0.268 83 G C 1.118 175.770 174.900 -0.413 0.000 1.203 83 G CA 0.713 45.751 45.100 -0.103 0.000 0.835 83 G HN 1.152 nan 8.290 nan 0.000 0.543 84 G N 0.694 109.250 108.800 -0.407 0.000 2.313 84 G HA2 -0.259 3.702 3.960 0.002 0.000 0.215 84 G HA3 -0.259 3.702 3.960 0.002 0.000 0.215 84 G C 0.710 175.482 174.900 -0.214 0.000 1.023 84 G CA 0.280 44.852 45.100 -0.880 0.000 0.626 84 G HN 0.804 nan 8.290 nan 0.000 0.503 85 M N 0.948 120.496 119.600 -0.087 0.000 2.246 85 M HA 0.385 4.866 4.480 0.002 0.000 0.350 85 M C -0.620 175.909 176.300 0.382 0.000 1.406 85 M CA -0.225 55.168 55.300 0.155 0.000 1.089 85 M CB 0.143 32.787 32.600 0.074 0.000 1.782 85 M HN 0.254 nan 8.290 nan 0.000 0.457 86 W N 5.583 126.980 121.300 0.161 0.000 2.316 86 W HA 0.423 5.083 4.660 0.001 0.000 0.339 86 W C -1.143 175.356 176.519 -0.033 0.000 1.002 86 W CA -0.601 56.777 57.345 0.055 0.000 1.465 86 W CB 0.474 29.901 29.460 -0.054 0.000 1.300 86 W HN 0.207 nan 8.180 nan 0.000 0.378 87 V N 4.570 124.544 119.914 0.101 0.000 2.350 87 V HA 0.914 5.035 4.120 0.002 0.000 0.285 87 V C 0.432 176.499 176.094 -0.046 0.000 1.014 87 V CA -0.470 61.843 62.300 0.022 0.000 0.831 87 V CB 0.758 32.594 31.823 0.023 0.000 1.000 87 V HN 0.540 nan 8.190 nan 0.000 0.433 88 G N 3.010 111.759 108.800 -0.084 0.000 2.554 88 G HA2 0.600 4.561 3.960 0.002 0.000 0.306 88 G HA3 0.600 4.561 3.960 0.002 0.000 0.306 88 G C -0.461 174.333 174.900 -0.175 0.000 1.320 88 G CA 0.088 45.116 45.100 -0.120 0.000 0.800 88 G HN 0.668 nan 8.290 nan 0.000 0.481 89 T N -1.759 112.695 114.554 -0.167 0.000 2.874 89 T HA 0.516 4.867 4.350 0.002 0.000 0.281 89 T C 1.092 175.622 174.700 -0.283 0.000 0.994 89 T CA -0.231 61.739 62.100 -0.216 0.000 1.015 89 T CB 0.926 69.737 68.868 -0.095 0.000 1.028 89 T HN 0.249 nan 8.240 nan 0.000 0.523 90 F N 0.802 120.509 119.950 -0.406 0.000 2.000 90 F HA -0.176 4.352 4.527 0.002 0.000 0.296 90 F C 2.985 178.486 175.800 -0.499 0.000 1.159 90 F CA 2.282 59.945 58.000 -0.561 0.000 1.183 90 F CB -0.720 37.812 39.000 -0.781 0.000 0.959 90 F HN 0.721 nan 8.300 nan 0.000 0.490 91 H N -0.255 118.733 119.070 -0.138 0.000 2.330 91 H HA -0.220 4.337 4.556 0.002 0.000 0.290 91 H C 2.394 177.653 175.328 -0.114 0.000 1.111 91 H CA 1.522 57.483 56.048 -0.146 0.000 1.226 91 H CB -1.339 28.330 29.762 -0.156 0.000 1.355 91 H HN 0.449 nan 8.280 nan 0.000 0.485 92 G N 1.352 110.150 108.800 -0.003 0.000 2.545 92 G HA2 -0.226 3.735 3.960 0.002 0.000 0.217 92 G HA3 -0.226 3.735 3.960 0.002 0.000 0.217 92 G C 2.006 176.867 174.900 -0.064 0.000 1.218 92 G CA 1.130 46.203 45.100 -0.045 0.000 0.787 92 G HN 0.258 nan 8.290 nan 0.000 0.571 93 L N 0.801 121.929 121.223 -0.158 0.000 1.990 93 L HA -0.174 4.166 4.340 0.002 0.000 0.213 93 L C 3.503 180.283 176.870 -0.149 0.000 1.072 93 L CA 1.373 56.102 54.840 -0.184 0.000 0.755 93 L CB -0.975 41.036 42.059 -0.080 0.000 0.889 93 L HN 0.354 nan 8.230 nan 0.000 0.432 94 A N -0.178 122.480 122.820 -0.269 0.000 1.870 94 A HA -0.363 3.957 4.320 0.002 0.000 0.219 94 A C 2.318 179.850 177.584 -0.087 0.000 1.224 94 A CA 2.415 54.269 52.037 -0.306 0.000 0.650 94 A CB -1.446 17.329 19.000 -0.374 0.000 0.836 94 A HN 0.636 nan 8.150 nan 0.000 0.454 95 H N -0.017 119.010 119.070 -0.071 0.000 2.321 95 H HA -0.212 4.345 4.556 0.001 0.000 0.295 95 H C 2.273 177.644 175.328 0.072 0.000 1.102 95 H CA 2.366 58.453 56.048 0.066 0.000 1.266 95 H CB -0.267 29.554 29.762 0.099 0.000 1.363 95 H HN 0.487 nan 8.280 nan 0.000 0.492 96 R N 0.255 120.714 120.500 -0.068 0.000 2.103 96 R HA -0.118 4.223 4.340 0.002 0.000 0.242 96 R C 2.949 179.213 176.300 -0.059 0.000 1.142 96 R CA 1.631 57.632 56.100 -0.165 0.000 0.960 96 R CB -0.273 29.808 30.300 -0.366 0.000 0.858 96 R HN 0.352 nan 8.270 nan 0.000 0.439 97 L N 0.059 121.309 121.223 0.045 0.000 1.961 97 L HA -0.226 4.115 4.340 0.002 0.000 0.210 97 L C 2.420 179.389 176.870 0.165 0.000 1.072 97 L CA 1.536 56.500 54.840 0.207 0.000 0.749 97 L CB -0.652 41.503 42.059 0.160 0.000 0.889 97 L HN 0.265 nan 8.230 nan 0.000 0.432 98 L N -0.605 120.668 121.223 0.084 0.000 2.034 98 L HA -0.299 4.042 4.340 0.002 0.000 0.217 98 L C 2.969 180.002 176.870 0.272 0.000 1.077 98 L CA 1.324 56.237 54.840 0.123 0.000 0.769 98 L CB -0.689 41.350 42.059 -0.033 0.000 0.890 98 L HN 0.306 nan 8.230 nan 0.000 0.435 99 R N -0.154 120.437 120.500 0.152 0.000 2.075 99 R HA -0.075 4.266 4.340 0.002 0.000 0.232 99 R C 2.315 178.685 176.300 0.117 0.000 1.126 99 R CA 1.491 57.632 56.100 0.068 0.000 0.963 99 R CB -0.947 29.228 30.300 -0.209 0.000 0.858 99 R HN 0.420 nan 8.270 nan 0.000 0.435 100 A N 0.947 123.790 122.820 0.039 0.000 1.930 100 A HA -0.119 4.202 4.320 0.002 0.000 0.217 100 A C 0.998 178.479 177.584 -0.173 0.000 1.175 100 A CA 1.123 53.111 52.037 -0.083 0.000 0.627 100 A CB -0.287 18.602 19.000 -0.185 0.000 0.815 100 A HN 0.318 nan 8.150 nan 0.000 0.443 101 H N -0.734 118.479 119.070 0.238 0.000 2.467 101 H HA 0.103 4.660 4.556 0.002 0.000 0.275 101 H C 1.169 176.539 175.328 0.070 0.000 1.131 101 H CA 0.248 56.376 56.048 0.134 0.000 0.989 101 H CB -0.361 29.492 29.762 0.152 0.000 1.696 101 H HN 0.821 nan 8.280 nan 0.000 0.574 102 H N -0.360 118.819 119.070 0.182 0.000 2.321 102 H HA -0.173 4.384 4.556 0.002 0.000 0.295 102 H C 1.676 177.089 175.328 0.141 0.000 1.102 102 H CA 0.936 57.091 56.048 0.178 0.000 1.266 102 H CB -0.142 29.734 29.762 0.190 0.000 1.363 102 H HN 0.155 nan 8.280 nan 0.000 0.492 103 M N 1.460 120.692 119.600 -0.613 0.000 2.163 103 M HA -0.181 4.300 4.480 0.002 0.000 0.258 103 M C 1.739 178.003 176.300 -0.060 0.000 1.071 103 M CA 1.660 56.778 55.300 -0.304 0.000 1.093 103 M CB -0.852 31.539 32.600 -0.347 0.000 1.285 103 M HN 0.369 nan 8.290 nan 0.000 0.420 104 D N -0.420 119.975 120.400 -0.007 0.000 2.348 104 D HA 0.022 4.663 4.640 0.002 0.000 0.216 104 D C 1.392 177.725 176.300 0.055 0.000 0.970 104 D CA 0.852 54.882 54.000 0.050 0.000 0.889 104 D CB 0.125 40.975 40.800 0.083 0.000 0.912 104 D HN 0.347 nan 8.370 nan 0.000 0.524 105 A N 0.850 123.704 122.820 0.057 0.000 2.275 105 A HA 0.019 4.340 4.320 0.002 0.000 0.212 105 A C 0.927 178.525 177.584 0.024 0.000 1.201 105 A CA 0.069 52.130 52.037 0.041 0.000 0.843 105 A CB -0.195 18.832 19.000 0.044 0.000 0.873 105 A HN 0.185 nan 8.150 nan 0.000 0.492 106 N N -1.772 116.950 118.700 0.036 0.000 2.776 106 N HA -0.134 4.607 4.740 0.002 0.000 0.249 106 N C -0.826 174.709 175.510 0.042 0.000 1.111 106 N CA 0.822 53.892 53.050 0.034 0.000 0.711 106 N CB -1.709 36.792 38.487 0.023 0.000 1.065 106 N HN 0.449 nan 8.380 nan 0.000 0.556 107 L N 0.054 121.328 121.223 0.086 0.000 2.401 107 L HA 0.643 4.984 4.340 0.002 0.000 0.266 107 L C -2.007 175.014 176.870 0.252 0.000 0.991 107 L CA -1.914 53.003 54.840 0.129 0.000 0.818 107 L CB 2.085 44.183 42.059 0.065 0.000 1.321 107 L HN -0.078 nan 8.230 nan 0.000 0.413 108 P HA -0.057 nan 4.420 nan 0.000 0.268 108 P C -0.297 177.121 177.300 0.197 0.000 1.205 108 P CA -0.133 63.081 63.100 0.190 0.000 0.771 108 P CB 0.903 32.670 31.700 0.112 0.000 0.858 109 Q N 1.078 120.876 119.800 -0.003 0.000 2.561 109 Q HA -0.152 4.189 4.340 0.002 0.000 0.217 109 Q C -0.202 175.612 176.000 -0.311 0.000 0.980 109 Q CA 1.168 56.729 55.803 -0.404 0.000 0.927 109 Q CB 0.007 28.235 28.738 -0.849 0.000 0.980 109 Q HN 0.368 nan 8.270 nan 0.000 0.525 110 D N 0.060 120.354 120.400 -0.177 0.000 2.623 110 D HA 0.095 4.736 4.640 0.002 0.000 0.252 110 D C -0.485 175.716 176.300 -0.164 0.000 1.294 110 D CA -0.353 53.517 54.000 -0.217 0.000 0.824 110 D CB -0.196 40.526 40.800 -0.130 0.000 1.070 110 D HN 0.159 nan 8.370 nan 0.000 0.487 111 F N 0.820 120.753 119.950 -0.029 0.000 2.589 111 F HA 0.378 4.906 4.527 0.002 0.000 0.352 111 F C 0.501 176.294 175.800 -0.011 0.000 1.168 111 F CA -0.820 57.169 58.000 -0.018 0.000 1.353 111 F CB 0.360 39.357 39.000 -0.005 0.000 1.116 111 F HN -0.265 nan 8.300 nan 0.000 0.608 112 Q N 2.824 122.754 119.800 0.218 0.000 2.316 112 Q HA 0.513 4.854 4.340 0.002 0.000 0.264 112 Q C -1.223 174.862 176.000 0.141 0.000 0.987 112 Q CA -0.681 55.184 55.803 0.103 0.000 0.852 112 Q CB 1.242 29.992 28.738 0.020 0.000 1.287 112 Q HN 0.688 nan 8.270 nan 0.000 0.448 113 I N 3.389 124.018 120.570 0.098 0.000 2.692 113 I HA 0.108 4.279 4.170 0.002 0.000 0.284 113 I C -0.323 175.699 176.117 -0.158 0.000 1.159 113 I CA 0.089 61.379 61.300 -0.016 0.000 1.423 113 I CB 0.520 38.495 38.000 -0.042 0.000 1.380 113 I HN 0.652 nan 8.210 nan 0.000 0.580 114 L N 6.835 127.889 121.223 -0.282 0.000 2.276 114 L HA 0.380 4.721 4.340 0.002 0.000 0.286 114 L C -0.335 176.239 176.870 -0.494 0.000 1.024 114 L CA -0.477 54.202 54.840 -0.267 0.000 0.826 114 L CB 0.489 42.454 42.059 -0.158 0.000 1.211 114 L HN 0.702 nan 8.230 nan 0.000 0.422 115 D N 1.943 122.131 120.400 -0.353 0.000 2.433 115 D HA 0.151 4.792 4.640 0.002 0.000 0.255 115 D C 0.920 177.147 176.300 -0.122 0.000 1.226 115 D CA -0.284 53.528 54.000 -0.315 0.000 1.015 115 D CB 0.717 41.490 40.800 -0.044 0.000 1.091 115 D HN 0.401 nan 8.370 nan 0.000 0.527 116 S N -0.612 115.107 115.700 0.032 0.000 2.359 116 S HA -0.271 4.200 4.470 0.002 0.000 0.222 116 S C 1.591 176.211 174.600 0.034 0.000 1.038 116 S CA 1.730 59.964 58.200 0.056 0.000 1.051 116 S CB -0.530 62.736 63.200 0.110 0.000 0.944 116 S HN 0.740 nan 8.310 nan 0.000 0.433 117 E N 0.932 121.156 120.200 0.041 0.000 2.033 117 E HA -0.248 4.103 4.350 0.002 0.000 0.199 117 E C 1.586 178.202 176.600 0.027 0.000 1.011 117 E CA 1.719 58.142 56.400 0.037 0.000 0.815 117 E CB -0.220 29.503 29.700 0.039 0.000 0.755 117 E HN 0.304 nan 8.360 nan 0.000 0.451 118 D N 0.174 120.581 120.400 0.012 0.000 2.160 118 D HA -0.289 4.352 4.640 0.002 0.000 0.189 118 D C 1.944 178.261 176.300 0.027 0.000 1.003 118 D CA 1.879 55.885 54.000 0.010 0.000 0.846 118 D CB -0.609 40.176 40.800 -0.024 0.000 0.949 118 D HN 0.362 nan 8.370 nan 0.000 0.446 119 Q N -0.211 119.595 119.800 0.010 0.000 2.014 119 Q HA -0.201 4.140 4.340 0.002 0.000 0.207 119 Q C 2.248 178.267 176.000 0.032 0.000 0.993 119 Q CA 1.380 57.206 55.803 0.039 0.000 0.850 119 Q CB -0.414 28.314 28.738 -0.016 0.000 0.916 119 Q HN 0.263 nan 8.270 nan 0.000 0.417 120 L N 1.021 122.256 121.223 0.020 0.000 2.013 120 L HA -0.224 4.117 4.340 0.002 0.000 0.212 120 L C 2.386 179.286 176.870 0.050 0.000 1.073 120 L CA 1.977 56.835 54.840 0.029 0.000 0.753 120 L CB -0.499 41.583 42.059 0.039 0.000 0.890 120 L HN 0.211 nan 8.230 nan 0.000 0.432 121 R N -0.985 119.547 120.500 0.053 0.000 2.081 121 R HA -0.156 4.185 4.340 0.002 0.000 0.235 121 R C 2.195 178.541 176.300 0.077 0.000 1.131 121 R CA 1.536 57.673 56.100 0.060 0.000 0.960 121 R CB -0.895 29.436 30.300 0.052 0.000 0.856 121 R HN 0.360 nan 8.270 nan 0.000 0.436 122 L N 1.455 122.732 121.223 0.090 0.000 2.081 122 L HA -0.168 4.173 4.340 0.002 0.000 0.212 122 L C 1.887 178.841 176.870 0.141 0.000 1.080 122 L CA 1.640 56.552 54.840 0.120 0.000 0.754 122 L CB -0.362 41.789 42.059 0.154 0.000 0.893 122 L HN 0.119 nan 8.230 nan 0.000 0.433 123 L N -0.723 120.574 121.223 0.122 0.000 2.023 123 L HA -0.186 4.155 4.340 0.002 0.000 0.205 123 L C 2.611 179.551 176.870 0.117 0.000 1.073 123 L CA 1.576 56.486 54.840 0.117 0.000 0.745 123 L CB -0.669 41.421 42.059 0.052 0.000 0.900 123 L HN 0.231 nan 8.230 nan 0.000 0.435 124 K N -0.124 120.335 120.400 0.100 0.000 2.077 124 K HA -0.253 4.068 4.320 0.002 0.000 0.213 124 K C 2.427 179.082 176.600 0.091 0.000 1.051 124 K CA 1.532 57.877 56.287 0.096 0.000 0.929 124 K CB 0.031 32.577 32.500 0.077 0.000 0.715 124 K HN 0.042 nan 8.250 nan 0.000 0.451 125 R N 0.633 121.185 120.500 0.086 0.000 2.070 125 R HA -0.101 4.240 4.340 0.002 0.000 0.233 125 R C 2.389 178.737 176.300 0.080 0.000 1.137 125 R CA 1.385 57.532 56.100 0.078 0.000 0.945 125 R CB -1.120 29.227 30.300 0.079 0.000 0.845 125 R HN 0.322 nan 8.270 nan 0.000 0.430 126 L N 0.230 121.512 121.223 0.098 0.000 1.944 126 L HA -0.252 4.089 4.340 0.002 0.000 0.218 126 L C 2.475 179.397 176.870 0.086 0.000 1.075 126 L CA 1.490 56.389 54.840 0.097 0.000 0.767 126 L CB -0.686 41.455 42.059 0.136 0.000 0.890 126 L HN 0.071 nan 8.230 nan 0.000 0.434 127 I N 0.329 120.966 120.570 0.112 0.000 2.121 127 I HA -0.437 3.734 4.170 0.002 0.000 0.243 127 I C 2.889 179.045 176.117 0.064 0.000 1.047 127 I CA 1.900 63.261 61.300 0.102 0.000 1.308 127 I CB -0.602 37.502 38.000 0.174 0.000 1.015 127 I HN 0.111 nan 8.210 nan 0.000 0.410 128 K N 0.566 121.010 120.400 0.074 0.000 2.152 128 K HA -0.006 4.315 4.320 0.002 0.000 0.206 128 K C 1.714 178.336 176.600 0.036 0.000 1.048 128 K CA 1.098 57.418 56.287 0.055 0.000 0.933 128 K CB -0.846 31.689 32.500 0.058 0.000 0.721 128 K HN 0.492 nan 8.250 nan 0.000 0.447 129 A N -0.165 122.677 122.820 0.037 0.000 2.324 129 A HA 0.386 4.707 4.320 0.002 0.000 0.240 129 A C 0.963 178.552 177.584 0.009 0.000 1.347 129 A CA 0.693 52.745 52.037 0.025 0.000 1.036 129 A CB -0.737 18.282 19.000 0.033 0.000 0.917 129 A HN 0.612 nan 8.150 nan 0.000 0.519 130 M N -2.331 117.267 119.600 -0.004 0.000 1.471 130 M HA 0.144 4.625 4.480 0.002 0.000 0.172 130 M C 0.449 176.720 176.300 -0.049 0.000 1.582 130 M CA -0.495 54.785 55.300 -0.033 0.000 0.664 130 M CB -0.019 32.549 32.600 -0.054 0.000 1.671 130 M HN 0.160 nan 8.290 nan 0.000 0.640 131 N N 1.639 120.292 118.700 -0.077 0.000 2.294 131 N HA 0.376 5.117 4.740 0.002 0.000 0.248 131 N C -1.243 174.271 175.510 0.007 0.000 1.300 131 N CA 0.376 53.366 53.050 -0.100 0.000 0.925 131 N CB 0.537 38.887 38.487 -0.229 0.000 1.188 131 N HN 0.275 nan 8.380 nan 0.000 0.512 132 L N 1.923 123.190 121.223 0.073 0.000 2.295 132 L HA 0.173 4.514 4.340 0.002 0.000 0.281 132 L C 1.067 178.054 176.870 0.195 0.000 1.018 132 L CA -0.570 54.341 54.840 0.118 0.000 0.841 132 L CB 1.362 43.484 42.059 0.106 0.000 1.218 132 L HN 0.687 nan 8.230 nan 0.000 0.424 133 D N 1.836 122.329 120.400 0.155 0.000 2.172 133 D HA -0.259 4.382 4.640 0.002 0.000 0.196 133 D C 1.011 177.390 176.300 0.131 0.000 0.999 133 D CA 1.443 55.546 54.000 0.172 0.000 0.856 133 D CB 0.105 40.980 40.800 0.125 0.000 0.934 133 D HN 0.590 nan 8.370 nan 0.000 0.453 134 E N 0.069 120.325 120.200 0.093 0.000 1.374 134 E HA 0.015 4.366 4.350 0.002 0.000 0.218 134 E C 1.397 178.004 176.600 0.012 0.000 0.483 134 E CA 1.650 58.080 56.400 0.049 0.000 0.655 134 E CB -2.327 27.402 29.700 0.048 0.000 0.981 134 E HN 0.938 nan 8.360 nan 0.000 0.289 135 K N -0.157 120.246 120.400 0.005 0.000 3.186 135 K HA -0.426 3.894 4.320 0.002 0.000 0.302 135 K C 1.613 178.138 176.600 -0.124 0.000 1.160 135 K CA 2.815 59.080 56.287 -0.037 0.000 0.911 135 K CB -2.329 30.143 32.500 -0.046 0.000 1.228 135 K HN 0.848 nan 8.250 nan 0.000 0.430 136 Q N -2.832 116.860 119.800 -0.180 0.000 2.302 136 Q HA 0.169 4.509 4.340 0.002 0.000 0.202 136 Q C 0.365 175.721 176.000 -1.073 0.000 0.936 136 Q CA 1.097 56.562 55.803 -0.562 0.000 0.886 136 Q CB 0.372 28.855 28.738 -0.425 0.000 0.986 136 Q HN 0.900 nan 8.270 nan 0.000 0.487 137 W N 1.538 122.842 121.300 0.006 0.000 1.485 137 W HA 0.293 4.954 4.660 0.001 0.000 0.305 137 W C -2.491 174.182 176.519 0.258 0.000 0.879 137 W CA -1.755 55.615 57.345 0.042 0.000 1.822 137 W CB 0.758 30.099 29.460 -0.199 0.000 1.990 137 W HN -0.146 nan 8.180 nan 0.000 0.441 138 P HA 0.017 nan 4.420 nan 0.000 0.264 138 P C -1.978 175.491 177.300 0.282 0.000 1.193 138 P CA -0.381 62.866 63.100 0.245 0.000 0.763 138 P CB 1.669 33.449 31.700 0.133 0.000 0.810 139 P HA -0.126 nan 4.420 nan 0.000 0.215 139 P C 1.780 179.147 177.300 0.112 0.000 1.157 139 P CA 1.618 64.821 63.100 0.171 0.000 0.874 139 P CB -0.062 31.712 31.700 0.123 0.000 0.790 140 R N -0.506 120.045 120.500 0.085 0.000 2.094 140 R HA -0.239 4.102 4.340 0.002 0.000 0.239 140 R C 2.443 178.775 176.300 0.054 0.000 1.137 140 R CA 1.883 58.022 56.100 0.065 0.000 0.943 140 R CB -0.946 29.382 30.300 0.046 0.000 0.850 140 R HN 0.183 nan 8.270 nan 0.000 0.433 141 Q N 0.497 120.301 119.800 0.006 0.000 2.135 141 Q HA -0.130 4.211 4.340 0.002 0.000 0.204 141 Q C 1.830 177.619 176.000 -0.353 0.000 0.981 141 Q CA 2.000 57.723 55.803 -0.133 0.000 0.856 141 Q CB -0.201 28.482 28.738 -0.092 0.000 0.902 141 Q HN 0.382 nan 8.270 nan 0.000 0.425 142 A N 0.275 122.940 122.820 -0.259 0.000 1.873 142 A HA -0.165 4.156 4.320 0.002 0.000 0.215 142 A C 2.141 179.689 177.584 -0.060 0.000 1.186 142 A CA 1.611 53.506 52.037 -0.236 0.000 0.616 142 A CB -0.739 18.423 19.000 0.271 0.000 0.823 142 A HN 0.627 nan 8.150 nan 0.000 0.442 143 M N -1.751 117.833 119.600 -0.026 0.000 2.065 143 M HA -0.203 4.277 4.480 0.002 0.000 0.259 143 M C 2.105 178.401 176.300 -0.006 0.000 1.071 143 M CA 2.597 57.857 55.300 -0.067 0.000 1.109 143 M CB -0.380 32.206 32.600 -0.023 0.000 1.313 143 M HN 0.610 nan 8.290 nan 0.000 0.408 144 W N 0.295 121.530 121.300 -0.108 0.000 2.304 144 W HA -0.349 4.312 4.660 0.001 0.000 0.315 144 W C 2.195 178.670 176.519 -0.074 0.000 1.233 144 W CA 2.552 59.853 57.345 -0.073 0.000 1.261 144 W CB -0.925 28.499 29.460 -0.061 0.000 1.150 144 W HN 0.491 nan 8.180 nan 0.000 0.494 145 Y N 0.705 121.048 120.300 0.072 0.000 2.165 145 Y HA -0.262 4.289 4.550 0.001 0.000 0.286 145 Y C 2.228 178.056 175.900 -0.120 0.000 1.155 145 Y CA 2.529 60.581 58.100 -0.079 0.000 1.164 145 Y CB -0.794 37.533 38.460 -0.222 0.000 0.978 145 Y HN 0.017 nan 8.280 nan 0.000 0.513 146 I N 0.328 120.800 120.570 -0.162 0.000 2.226 146 I HA -0.351 3.820 4.170 0.002 0.000 0.245 146 I C 1.617 177.586 176.117 -0.247 0.000 1.100 146 I CA 2.067 63.241 61.300 -0.210 0.000 1.374 146 I CB -0.612 37.169 38.000 -0.366 0.000 1.057 146 I HN 0.332 nan 8.210 nan 0.000 0.413 147 N N 0.421 118.953 118.700 -0.281 0.000 2.216 147 N HA -0.101 4.640 4.740 0.002 0.000 0.183 147 N C 1.844 177.149 175.510 -0.341 0.000 1.017 147 N CA 1.120 54.016 53.050 -0.257 0.000 0.861 147 N CB -0.086 38.270 38.487 -0.219 0.000 0.986 147 N HN 0.116 nan 8.380 nan 0.000 0.428 148 S N 0.490 115.866 115.700 -0.540 0.000 2.419 148 S HA -0.183 4.288 4.470 0.002 0.000 0.235 148 S C 1.852 176.212 174.600 -0.401 0.000 1.019 148 S CA 1.081 58.919 58.200 -0.604 0.000 0.982 148 S CB -0.212 62.389 63.200 -1.000 0.000 0.789 148 S HN 0.282 nan 8.310 nan 0.000 0.490 149 Q N 1.343 120.910 119.800 -0.389 0.000 2.049 149 Q HA 0.074 4.414 4.340 0.002 0.000 0.198 149 Q C 1.869 177.773 176.000 -0.160 0.000 0.971 149 Q CA 1.413 57.040 55.803 -0.292 0.000 0.833 149 Q CB -0.054 28.506 28.738 -0.297 0.000 0.896 149 Q HN 0.440 nan 8.270 nan 0.000 0.434 150 K N 0.061 120.392 120.400 -0.115 0.000 2.296 150 K HA -0.046 4.275 4.320 0.002 0.000 0.200 150 K C 1.286 177.820 176.600 -0.111 0.000 1.048 150 K CA 0.896 57.135 56.287 -0.080 0.000 0.966 150 K CB 0.148 32.616 32.500 -0.053 0.000 0.754 150 K HN 0.203 nan 8.250 nan 0.000 0.466 151 D N 1.506 121.815 120.400 -0.152 0.000 2.178 151 D HA -0.130 4.511 4.640 0.002 0.000 0.201 151 D C 1.488 177.711 176.300 -0.128 0.000 0.980 151 D CA 1.091 54.995 54.000 -0.160 0.000 0.842 151 D CB 0.168 40.853 40.800 -0.192 0.000 0.948 151 D HN 0.152 nan 8.370 nan 0.000 0.472 152 E N -0.153 119.976 120.200 -0.118 0.000 2.489 152 E HA 0.113 4.464 4.350 0.002 0.000 0.193 152 E C 0.916 177.491 176.600 -0.042 0.000 1.057 152 E CA 0.118 56.472 56.400 -0.077 0.000 0.866 152 E CB 0.296 29.945 29.700 -0.086 0.000 0.916 152 E HN 0.229 nan 8.360 nan 0.000 0.500 153 G N 2.157 110.927 108.800 -0.051 0.000 2.350 153 G HA2 -0.286 3.674 3.960 0.002 0.000 0.298 153 G HA3 -0.286 3.674 3.960 0.002 0.000 0.298 153 G C 0.624 175.483 174.900 -0.068 0.000 1.037 153 G CA 0.616 45.703 45.100 -0.021 0.000 1.074 153 G HN 0.238 nan 8.290 nan 0.000 0.511 154 L N -1.094 120.047 121.223 -0.136 0.000 2.185 154 L HA 0.566 4.907 4.340 0.002 0.000 0.202 154 L C 1.532 178.046 176.870 -0.594 0.000 1.234 154 L CA 0.182 54.881 54.840 -0.235 0.000 1.175 154 L CB -0.069 41.877 42.059 -0.189 0.000 1.136 154 L HN 0.411 nan 8.230 nan 0.000 0.643 155 R N -1.775 118.433 120.500 -0.487 0.000 5.993 155 R HA -0.066 4.275 4.340 0.002 0.000 0.214 155 R C -2.326 173.648 176.300 -0.543 0.000 0.881 155 R CA -0.028 55.767 56.100 -0.508 0.000 1.317 155 R CB -1.345 28.416 30.300 -0.898 0.000 1.335 155 R HN 0.065 nan 8.270 nan 0.000 0.686 156 P HA -0.152 nan 4.420 nan 0.000 0.214 156 P C 0.654 177.946 177.300 -0.013 0.000 1.163 156 P CA 1.633 64.571 63.100 -0.270 0.000 0.883 156 P CB -0.319 31.442 31.700 0.102 0.000 0.788 157 H N -1.554 117.561 119.070 0.076 0.000 3.319 157 H HA 0.238 4.795 4.556 0.001 0.000 0.213 157 H C 0.064 175.573 175.328 0.301 0.000 1.782 157 H CA 0.077 56.215 56.048 0.150 0.000 1.339 157 H CB -0.757 29.086 29.762 0.136 0.000 1.651 157 H HN 0.264 nan 8.280 nan 0.000 0.622 158 H N 1.267 120.247 119.070 -0.150 0.000 4.474 158 H HA 0.302 4.859 4.556 0.002 0.000 0.109 158 H C 1.396 176.688 175.328 -0.060 0.000 1.226 158 H CA 0.809 56.774 56.048 -0.138 0.000 0.841 158 H CB -0.339 29.300 29.762 -0.204 0.000 1.325 158 H HN 0.334 nan 8.280 nan 0.000 0.200 159 I N 2.533 123.159 120.570 0.092 0.000 2.992 159 I HA 0.448 4.619 4.170 0.002 0.000 0.309 159 I C 0.823 176.982 176.117 0.069 0.000 1.170 159 I CA 0.773 62.111 61.300 0.064 0.000 1.862 159 I CB -2.438 35.598 38.000 0.060 0.000 1.579 159 I HN 0.481 nan 8.210 nan 0.000 0.885 160 Q N 2.873 122.707 119.800 0.057 0.000 2.394 160 Q HA 0.699 5.039 4.340 0.002 0.000 0.248 160 Q C 0.656 176.694 176.000 0.063 0.000 0.992 160 Q CA 0.383 56.221 55.803 0.058 0.000 0.888 160 Q CB 1.205 29.969 28.738 0.044 0.000 1.257 160 Q HN 1.613 nan 8.270 nan 0.000 0.462 161 S N -1.252 114.486 115.700 0.064 0.000 4.261 161 S HA 0.623 5.094 4.470 0.002 0.000 0.232 161 S C -0.933 173.698 174.600 0.050 0.000 1.122 161 S CA 1.370 59.608 58.200 0.063 0.000 1.487 161 S CB 0.062 63.312 63.200 0.083 0.000 1.550 161 S HN 2.294 nan 8.310 nan 0.000 0.699 162 Y N -1.747 118.583 120.300 0.050 0.000 2.915 162 Y HA 0.198 4.749 4.550 0.002 0.000 0.051 162 Y C -0.134 175.788 175.900 0.036 0.000 2.231 162 Y CA -0.257 57.865 58.100 0.037 0.000 1.112 162 Y CB -2.157 36.321 38.460 0.029 0.000 1.806 162 Y HN 1.980 nan 8.280 nan 0.000 0.298 163 G N 0.101 108.925 108.800 0.040 0.000 4.446 163 G HA2 0.520 4.481 3.960 0.002 0.000 0.205 163 G HA3 0.520 4.481 3.960 0.002 0.000 0.205 163 G C -0.498 174.427 174.900 0.042 0.000 0.820 163 G CA 0.333 45.456 45.100 0.038 0.000 0.792 163 G HN 2.514 nan 8.290 nan 0.000 0.525 164 N N -0.769 117.959 118.700 0.046 0.000 4.430 164 N HA 0.281 5.022 4.740 0.002 0.000 0.181 164 N C -2.310 173.234 175.510 0.057 0.000 1.061 164 N CA -0.163 52.919 53.050 0.053 0.000 1.089 164 N CB 1.337 39.862 38.487 0.064 0.000 1.586 164 N HN -0.047 nan 8.380 nan 0.000 0.881 165 P HA -0.139 nan 4.420 nan 0.000 0.219 165 P C 1.759 179.097 177.300 0.063 0.000 1.146 165 P CA 1.245 64.364 63.100 0.032 0.000 0.808 165 P CB -0.141 31.577 31.700 0.030 0.000 0.779 166 V N 2.157 122.151 119.914 0.133 0.000 2.231 166 V HA -0.281 3.840 4.120 0.002 0.000 0.250 166 V C 2.747 178.918 176.094 0.129 0.000 1.058 166 V CA 2.693 65.094 62.300 0.167 0.000 1.022 166 V CB -2.289 29.602 31.823 0.114 0.000 0.640 166 V HN 0.272 nan 8.190 nan 0.000 0.445 167 E N -0.560 119.732 120.200 0.155 0.000 2.427 167 E HA -0.190 4.161 4.350 0.002 0.000 0.196 167 E C 2.115 178.784 176.600 0.115 0.000 1.028 167 E CA 0.701 57.208 56.400 0.178 0.000 0.864 167 E CB -0.175 29.631 29.700 0.178 0.000 0.813 167 E HN 0.533 nan 8.360 nan 0.000 0.514 168 Q N 0.289 120.120 119.800 0.052 0.000 2.163 168 Q HA 0.004 4.345 4.340 0.002 0.000 0.198 168 Q C 1.997 177.959 176.000 -0.062 0.000 0.954 168 Q CA 1.747 57.559 55.803 0.016 0.000 0.851 168 Q CB -0.146 28.592 28.738 0.000 0.000 0.928 168 Q HN 0.364 nan 8.270 nan 0.000 0.459 169 T N -0.124 114.295 114.554 -0.226 0.000 2.643 169 T HA -0.170 4.181 4.350 0.002 0.000 0.264 169 T C 1.532 176.090 174.700 -0.237 0.000 1.045 169 T CA 1.362 63.167 62.100 -0.492 0.000 1.155 169 T CB -0.618 67.448 68.868 -1.336 0.000 0.863 169 T HN 0.409 nan 8.240 nan 0.000 0.420 170 W N 1.556 122.815 121.300 -0.068 0.000 2.302 170 W HA -0.204 4.457 4.660 0.001 0.000 0.320 170 W C 2.975 179.561 176.519 0.113 0.000 1.241 170 W CA 0.440 57.754 57.345 -0.053 0.000 1.264 170 W CB -0.449 28.680 29.460 -0.551 0.000 1.154 170 W HN 0.159 nan 8.180 nan 0.000 0.483 171 Q N 0.807 120.807 119.800 0.334 0.000 2.118 171 Q HA -0.309 4.032 4.340 0.002 0.000 0.211 171 Q C 2.407 178.573 176.000 0.277 0.000 0.998 171 Q CA 3.141 59.138 55.803 0.323 0.000 0.872 171 Q CB -0.780 28.071 28.738 0.189 0.000 0.925 171 Q HN 0.461 nan 8.270 nan 0.000 0.414 172 K N -0.145 120.353 120.400 0.164 0.000 2.025 172 K HA -0.066 4.255 4.320 0.002 0.000 0.207 172 K C 2.249 178.962 176.600 0.190 0.000 1.049 172 K CA 1.507 57.867 56.287 0.121 0.000 0.933 172 K CB -1.248 31.253 32.500 0.001 0.000 0.714 172 K HN 0.168 nan 8.250 nan 0.000 0.438 173 V N -0.119 119.924 119.914 0.214 0.000 2.282 173 V HA -0.284 3.837 4.120 0.002 0.000 0.249 173 V C 2.429 178.745 176.094 0.370 0.000 1.057 173 V CA 2.166 64.628 62.300 0.271 0.000 1.032 173 V CB -0.719 31.326 31.823 0.370 0.000 0.645 173 V HN 0.682 nan 8.190 nan 0.000 0.447 174 Y N 1.113 121.604 120.300 0.317 0.000 2.207 174 Y HA -0.310 4.241 4.550 0.002 0.000 0.287 174 Y C 2.625 178.692 175.900 0.278 0.000 1.156 174 Y CA 2.229 60.517 58.100 0.314 0.000 1.182 174 Y CB -0.479 38.181 38.460 0.333 0.000 0.979 174 Y HN 0.333 nan 8.280 nan 0.000 0.521 175 Q N 0.446 120.559 119.800 0.521 0.000 2.020 175 Q HA -0.138 4.203 4.340 0.002 0.000 0.202 175 Q C 2.444 178.583 176.000 0.233 0.000 0.982 175 Q CA 2.327 58.341 55.803 0.352 0.000 0.838 175 Q CB -0.900 27.975 28.738 0.229 0.000 0.899 175 Q HN 0.482 nan 8.270 nan 0.000 0.423 176 A N -0.273 122.666 122.820 0.198 0.000 1.873 176 A HA -0.250 4.070 4.320 0.002 0.000 0.218 176 A C 2.118 179.776 177.584 0.123 0.000 1.193 176 A CA 1.838 53.956 52.037 0.135 0.000 0.629 176 A CB -1.478 17.598 19.000 0.127 0.000 0.826 176 A HN 0.681 nan 8.150 nan 0.000 0.447 177 Y N 0.348 120.677 120.300 0.049 0.000 2.151 177 Y HA -0.294 4.256 4.550 0.001 0.000 0.284 177 Y C 2.544 178.419 175.900 -0.041 0.000 1.166 177 Y CA 2.454 60.546 58.100 -0.013 0.000 1.163 177 Y CB -0.277 38.145 38.460 -0.063 0.000 0.974 177 Y HN 0.325 nan 8.280 nan 0.000 0.511 178 Q N 0.612 120.328 119.800 -0.141 0.000 2.084 178 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 178 Q C 2.096 178.005 176.000 -0.152 0.000 0.978 178 Q CA 2.109 57.798 55.803 -0.191 0.000 0.844 178 Q CB -0.378 28.397 28.738 0.062 0.000 0.898 178 Q HN 0.769 nan 8.270 nan 0.000 0.426 179 E N 0.509 120.672 120.200 -0.061 0.000 2.072 179 E HA -0.094 4.257 4.350 0.002 0.000 0.191 179 E C 1.997 178.547 176.600 -0.084 0.000 0.985 179 E CA 0.954 57.326 56.400 -0.046 0.000 0.801 179 E CB -0.250 29.448 29.700 -0.004 0.000 0.750 179 E HN 0.252 nan 8.360 nan 0.000 0.452 180 A N 1.709 124.465 122.820 -0.107 0.000 1.865 180 A HA -0.202 4.119 4.320 0.002 0.000 0.217 180 A C 2.522 180.007 177.584 -0.166 0.000 1.191 180 A CA 1.523 53.493 52.037 -0.112 0.000 0.623 180 A CB -1.083 17.861 19.000 -0.093 0.000 0.826 180 A HN 0.409 nan 8.150 nan 0.000 0.444 181 C N -0.857 118.261 119.300 -0.302 0.000 2.425 181 C HA -0.081 4.380 4.460 0.002 0.000 0.277 181 C C 2.468 177.356 174.990 -0.170 0.000 1.280 181 C CA 1.037 59.878 59.018 -0.294 0.000 1.744 181 C CB -1.166 26.282 27.740 -0.487 0.000 1.989 181 C HN 0.609 nan 8.230 nan 0.000 0.491 182 D N 0.131 120.444 120.400 -0.145 0.000 2.117 182 D HA -0.091 4.550 4.640 0.002 0.000 0.198 182 D C 2.422 178.691 176.300 -0.052 0.000 0.982 182 D CA 1.004 54.955 54.000 -0.081 0.000 0.828 182 D CB -0.273 40.492 40.800 -0.058 0.000 0.967 182 D HN 0.485 nan 8.370 nan 0.000 0.464 183 R N 0.056 120.523 120.500 -0.055 0.000 2.148 183 R HA 0.001 4.342 4.340 0.002 0.000 0.227 183 R C 1.802 178.081 176.300 -0.035 0.000 1.103 183 R CA 0.884 56.962 56.100 -0.036 0.000 0.983 183 R CB 0.062 30.340 30.300 -0.035 0.000 0.874 183 R HN 0.023 nan 8.270 nan 0.000 0.451 184 A N -0.287 122.504 122.820 -0.049 0.000 2.308 184 A HA 0.253 4.574 4.320 0.002 0.000 0.217 184 A C 1.204 178.774 177.584 -0.024 0.000 1.216 184 A CA 0.570 52.583 52.037 -0.041 0.000 0.864 184 A CB 0.276 19.248 19.000 -0.048 0.000 0.902 184 A HN 0.372 nan 8.150 nan 0.000 0.499 185 G N -0.434 108.358 108.800 -0.013 0.000 2.198 185 G HA2 -0.218 3.743 3.960 0.002 0.000 0.260 185 G HA3 -0.218 3.743 3.960 0.002 0.000 0.260 185 G C -0.084 174.845 174.900 0.049 0.000 1.025 185 G CA 0.567 45.687 45.100 0.032 0.000 0.769 185 G HN 0.523 nan 8.290 nan 0.000 0.507 186 L N -0.298 120.917 121.223 -0.013 0.000 2.317 186 L HA 0.813 5.154 4.340 0.002 0.000 0.281 186 L C 0.428 177.253 176.870 -0.075 0.000 1.024 186 L CA -1.342 53.483 54.840 -0.025 0.000 0.810 186 L CB 1.999 44.019 42.059 -0.065 0.000 1.240 186 L HN 0.263 nan 8.230 nan 0.000 0.427 187 V N -0.051 119.829 119.914 -0.056 0.000 2.588 187 V HA 0.600 4.721 4.120 0.002 0.000 0.304 187 V C -0.971 175.053 176.094 -0.117 0.000 1.042 187 V CA -0.567 61.661 62.300 -0.121 0.000 0.877 187 V CB 1.991 33.678 31.823 -0.227 0.000 0.996 187 V HN 0.824 nan 8.190 nan 0.000 0.425 188 D N 3.881 124.214 120.400 -0.113 0.000 2.437 188 D HA 0.366 5.007 4.640 0.002 0.000 0.259 188 D C 0.752 176.980 176.300 -0.120 0.000 1.118 188 D CA -0.795 53.096 54.000 -0.181 0.000 1.017 188 D CB 0.492 41.255 40.800 -0.061 0.000 1.120 188 D HN 0.334 nan 8.370 nan 0.000 0.541 189 F N 0.186 120.119 119.950 -0.029 0.000 2.120 189 F HA -0.102 4.426 4.527 0.001 0.000 0.300 189 F C 2.640 178.474 175.800 0.057 0.000 1.095 189 F CA 1.555 59.538 58.000 -0.029 0.000 1.249 189 F CB -1.295 37.604 39.000 -0.169 0.000 0.995 189 F HN 0.527 nan 8.300 nan 0.000 0.480 190 A N -0.383 122.546 122.820 0.180 0.000 1.902 190 A HA -0.217 4.104 4.320 0.002 0.000 0.217 190 A C 2.138 179.722 177.584 0.001 0.000 1.181 190 A CA 1.774 53.847 52.037 0.060 0.000 0.623 190 A CB -0.816 18.181 19.000 -0.005 0.000 0.818 190 A HN 0.304 nan 8.150 nan 0.000 0.443 191 E N 0.263 120.458 120.200 -0.008 0.000 2.085 191 E HA -0.178 4.173 4.350 0.002 0.000 0.194 191 E C 1.800 178.350 176.600 -0.083 0.000 0.994 191 E CA 1.364 57.732 56.400 -0.054 0.000 0.801 191 E CB -0.502 29.151 29.700 -0.078 0.000 0.743 191 E HN 0.590 nan 8.360 nan 0.000 0.453 192 L N -0.217 120.981 121.223 -0.042 0.000 1.997 192 L HA -0.287 4.053 4.340 0.002 0.000 0.216 192 L C 2.562 179.342 176.870 -0.150 0.000 1.074 192 L CA 1.626 56.432 54.840 -0.056 0.000 0.763 192 L CB -0.596 41.532 42.059 0.114 0.000 0.890 192 L HN 0.241 nan 8.230 nan 0.000 0.434 193 L N -1.406 119.709 121.223 -0.180 0.000 1.988 193 L HA -0.229 4.112 4.340 0.002 0.000 0.207 193 L C 2.536 179.265 176.870 -0.235 0.000 1.071 193 L CA 0.720 55.359 54.840 -0.336 0.000 0.744 193 L CB -0.668 41.148 42.059 -0.405 0.000 0.893 193 L HN 0.220 nan 8.230 nan 0.000 0.433 194 L N 0.422 121.566 121.223 -0.131 0.000 1.963 194 L HA -0.289 4.052 4.340 0.002 0.000 0.220 194 L C 2.752 179.608 176.870 -0.025 0.000 1.076 194 L CA 1.926 56.742 54.840 -0.040 0.000 0.772 194 L CB -0.636 41.401 42.059 -0.037 0.000 0.892 194 L HN 0.099 nan 8.230 nan 0.000 0.435 195 R N -0.367 120.090 120.500 -0.073 0.000 2.143 195 R HA -0.262 4.079 4.340 0.002 0.000 0.239 195 R C 2.228 178.479 176.300 -0.082 0.000 1.126 195 R CA 2.331 58.383 56.100 -0.081 0.000 0.927 195 R CB -1.188 29.030 30.300 -0.137 0.000 0.860 195 R HN 0.621 nan 8.270 nan 0.000 0.433 196 A N -0.417 122.313 122.820 -0.151 0.000 1.927 196 A HA -0.298 4.023 4.320 0.002 0.000 0.220 196 A C 2.242 179.753 177.584 -0.122 0.000 1.185 196 A CA 2.104 54.007 52.037 -0.223 0.000 0.639 196 A CB -1.078 17.687 19.000 -0.391 0.000 0.820 196 A HN 0.728 nan 8.150 nan 0.000 0.451 197 H N -0.505 118.523 119.070 -0.070 0.000 2.261 197 H HA -0.125 4.432 4.556 0.001 0.000 0.301 197 H C 2.107 177.534 175.328 0.164 0.000 1.067 197 H CA 1.555 57.712 56.048 0.182 0.000 1.297 197 H CB -0.053 29.818 29.762 0.181 0.000 1.377 197 H HN 0.639 nan 8.280 nan 0.000 0.492 198 E N 0.369 120.565 120.200 -0.007 0.000 2.136 198 E HA -0.230 4.121 4.350 0.002 0.000 0.202 198 E C 2.310 178.921 176.600 0.020 0.000 1.019 198 E CA 1.132 57.499 56.400 -0.055 0.000 0.819 198 E CB -0.158 29.534 29.700 -0.013 0.000 0.739 198 E HN 0.302 nan 8.360 nan 0.000 0.458 199 L N 0.198 121.441 121.223 0.033 0.000 2.079 199 L HA -0.173 4.168 4.340 0.002 0.000 0.210 199 L C 1.746 178.752 176.870 0.226 0.000 1.081 199 L CA 1.633 56.518 54.840 0.074 0.000 0.752 199 L CB -0.441 41.623 42.059 0.008 0.000 0.896 199 L HN 0.261 nan 8.230 nan 0.000 0.433 200 W N -0.866 120.473 121.300 0.065 0.000 2.518 200 W HA 0.035 4.696 4.660 0.001 0.000 0.273 200 W C 2.316 178.834 176.519 -0.001 0.000 1.247 200 W CA 0.490 57.868 57.345 0.055 0.000 1.288 200 W CB -0.621 28.917 29.460 0.129 0.000 1.107 200 W HN 0.172 nan 8.180 nan 0.000 0.586 201 L N 0.104 121.421 121.223 0.158 0.000 2.095 201 L HA -0.149 4.192 4.340 0.002 0.000 0.204 201 L C 2.104 179.014 176.870 0.066 0.000 1.080 201 L CA 0.926 55.797 54.840 0.050 0.000 0.759 201 L CB -0.757 41.269 42.059 -0.055 0.000 0.914 201 L HN -0.131 nan 8.230 nan 0.000 0.439 202 N N 0.144 118.890 118.700 0.077 0.000 2.135 202 N HA -0.072 4.669 4.740 0.002 0.000 0.186 202 N C 0.559 176.125 175.510 0.094 0.000 1.027 202 N CA 1.127 54.223 53.050 0.077 0.000 0.849 202 N CB -0.007 38.522 38.487 0.071 0.000 1.002 202 N HN 0.098 nan 8.380 nan 0.000 0.425 203 K N 0.987 121.452 120.400 0.108 0.000 2.655 203 K HA 0.299 4.620 4.320 0.002 0.000 0.213 203 K C -1.966 174.668 176.600 0.057 0.000 1.126 203 K CA -1.856 54.499 56.287 0.114 0.000 1.076 203 K CB 1.200 33.744 32.500 0.072 0.000 1.644 203 K HN -0.019 nan 8.250 nan 0.000 0.523 204 P HA -0.234 nan 4.420 nan 0.000 0.219 204 P C 1.085 178.394 177.300 0.015 0.000 1.145 204 P CA 1.349 64.469 63.100 0.033 0.000 0.813 204 P CB -0.009 31.718 31.700 0.045 0.000 0.771 205 H N -0.789 118.280 119.070 -0.002 0.000 2.546 205 H HA 0.002 4.559 4.556 0.001 0.000 0.277 205 H C 1.588 176.903 175.328 -0.021 0.000 1.004 205 H CA 0.982 57.021 56.048 -0.015 0.000 1.231 205 H CB -0.716 29.039 29.762 -0.011 0.000 1.382 205 H HN 0.253 nan 8.280 nan 0.000 0.580 206 I N -1.672 118.575 120.570 -0.538 0.000 2.628 206 I HA -0.004 4.167 4.170 0.002 0.000 0.255 206 I C 2.422 178.458 176.117 -0.134 0.000 1.119 206 I CA 0.092 61.155 61.300 -0.394 0.000 1.448 206 I CB -0.397 37.375 38.000 -0.380 0.000 1.133 206 I HN 0.064 nan 8.210 nan 0.000 0.438 207 L N 1.458 122.574 121.223 -0.178 0.000 1.978 207 L HA -0.267 4.074 4.340 0.002 0.000 0.218 207 L C 2.744 179.432 176.870 -0.302 0.000 1.075 207 L CA 2.079 56.633 54.840 -0.477 0.000 0.767 207 L CB -0.982 40.838 42.059 -0.398 0.000 0.890 207 L HN 0.332 nan 8.230 nan 0.000 0.434 208 Q N -0.600 119.089 119.800 -0.186 0.000 2.047 208 Q HA -0.335 4.006 4.340 0.002 0.000 0.211 208 Q C 2.326 178.239 176.000 -0.145 0.000 1.005 208 Q CA 2.408 58.129 55.803 -0.137 0.000 0.866 208 Q CB -0.878 27.817 28.738 -0.071 0.000 0.938 208 Q HN 0.768 nan 8.270 nan 0.000 0.414 209 H N -0.652 118.275 119.070 -0.239 0.000 2.289 209 H HA -0.211 4.346 4.556 0.001 0.000 0.294 209 H C 1.854 176.987 175.328 -0.325 0.000 1.095 209 H CA 2.217 58.078 56.048 -0.310 0.000 1.256 209 H CB -0.293 29.201 29.762 -0.446 0.000 1.359 209 H HN 0.288 nan 8.280 nan 0.000 0.487 210 Y N 0.953 121.264 120.300 0.020 0.000 2.163 210 Y HA -0.093 4.458 4.550 0.001 0.000 0.288 210 Y C 3.147 178.945 175.900 -0.169 0.000 1.136 210 Y CA 1.174 59.266 58.100 -0.012 0.000 1.147 210 Y CB -0.447 38.083 38.460 0.116 0.000 0.987 210 Y HN 0.134 nan 8.280 nan 0.000 0.509 211 R N 0.109 120.533 120.500 -0.127 0.000 2.094 211 R HA -0.250 4.091 4.340 0.002 0.000 0.239 211 R C 2.161 178.379 176.300 -0.136 0.000 1.137 211 R CA 1.911 57.923 56.100 -0.146 0.000 0.943 211 R CB -0.544 29.650 30.300 -0.177 0.000 0.850 211 R HN 0.394 nan 8.270 nan 0.000 0.433 212 E N 0.136 120.223 120.200 -0.189 0.000 2.130 212 E HA -0.249 4.102 4.350 0.002 0.000 0.196 212 E C 2.113 178.555 176.600 -0.263 0.000 0.998 212 E CA 1.464 57.735 56.400 -0.215 0.000 0.806 212 E CB 0.066 29.615 29.700 -0.253 0.000 0.738 212 E HN 0.190 nan 8.360 nan 0.000 0.459 213 R N -0.671 119.616 120.500 -0.355 0.000 2.048 213 R HA 0.001 4.342 4.340 0.002 0.000 0.224 213 R C 0.153 176.202 176.300 -0.420 0.000 1.163 213 R CA 0.557 56.379 56.100 -0.464 0.000 0.956 213 R CB -0.118 29.764 30.300 -0.697 0.000 0.849 213 R HN 0.005 nan 8.270 nan 0.000 0.435 214 F N 2.488 122.386 119.950 -0.087 0.000 2.619 214 F HA 0.105 4.632 4.527 0.001 0.000 0.350 214 F C 0.923 176.688 175.800 -0.059 0.000 1.259 214 F CA 0.100 58.060 58.000 -0.067 0.000 1.204 214 F CB 0.855 39.811 39.000 -0.075 0.000 1.556 214 F HN 0.174 nan 8.300 nan 0.000 0.650 215 T N -2.633 111.959 114.554 0.064 0.000 3.169 215 T HA 0.121 4.472 4.350 0.002 0.000 0.250 215 T C 0.418 175.159 174.700 0.069 0.000 1.111 215 T CA -0.051 62.073 62.100 0.040 0.000 1.010 215 T CB -0.331 68.536 68.868 -0.002 0.000 0.984 215 T HN 0.220 nan 8.240 nan 0.000 0.537 216 N N 1.819 120.587 118.700 0.114 0.000 2.581 216 N HA 0.349 5.090 4.740 0.002 0.000 0.279 216 N C -1.200 174.372 175.510 0.103 0.000 1.124 216 N CA -0.474 52.636 53.050 0.101 0.000 0.833 216 N CB 1.630 40.177 38.487 0.101 0.000 1.338 216 N HN 0.181 nan 8.380 nan 0.000 0.533 217 I N 1.708 122.316 120.570 0.063 0.000 2.664 217 I HA 0.542 4.712 4.170 0.002 0.000 0.308 217 I C -0.018 176.105 176.117 0.010 0.000 0.984 217 I CA -0.707 60.611 61.300 0.030 0.000 1.213 217 I CB 1.067 39.078 38.000 0.018 0.000 1.379 217 I HN 0.237 nan 8.210 nan 0.000 0.501 218 L N 4.308 125.530 121.223 -0.003 0.000 2.543 218 L HA 0.470 4.811 4.340 0.002 0.000 0.265 218 L C -0.821 176.043 176.870 -0.009 0.000 0.945 218 L CA -0.244 54.585 54.840 -0.019 0.000 0.869 218 L CB 2.038 44.095 42.059 -0.003 0.000 1.294 218 L HN 0.189 nan 8.230 nan 0.000 0.405 219 V N 1.195 121.117 119.914 0.013 0.000 2.483 219 V HA 0.486 4.607 4.120 0.002 0.000 0.297 219 V C -0.497 175.698 176.094 0.169 0.000 1.027 219 V CA -0.615 61.754 62.300 0.116 0.000 0.855 219 V CB 1.813 33.849 31.823 0.354 0.000 0.995 219 V HN 0.685 nan 8.190 nan 0.000 0.424 220 D N 2.564 123.063 120.400 0.165 0.000 2.411 220 D HA 0.179 4.820 4.640 0.002 0.000 0.251 220 D C 0.664 177.151 176.300 0.312 0.000 1.201 220 D CA -0.121 53.990 54.000 0.185 0.000 0.996 220 D CB 0.771 41.654 40.800 0.138 0.000 1.101 220 D HN 0.616 nan 8.370 nan 0.000 0.504 221 E N 0.762 121.082 120.200 0.200 0.000 2.068 221 E HA -0.281 4.070 4.350 0.002 0.000 0.192 221 E C 0.695 177.403 176.600 0.179 0.000 1.358 221 E CA 0.165 56.630 56.400 0.107 0.000 0.696 221 E CB -1.417 28.243 29.700 -0.066 0.000 1.065 221 E HN 0.457 nan 8.360 nan 0.000 0.327 222 F N 1.488 121.510 119.950 0.120 0.000 2.333 222 F HA -0.193 4.335 4.527 0.001 0.000 0.300 222 F C 2.584 178.453 175.800 0.115 0.000 1.083 222 F CA 1.751 59.854 58.000 0.170 0.000 1.395 222 F CB 0.271 39.316 39.000 0.074 0.000 1.056 222 F HN 0.199 nan 8.300 nan 0.000 0.529 223 Q N -0.557 119.333 119.800 0.148 0.000 2.488 223 Q HA -0.137 4.204 4.340 0.002 0.000 0.211 223 Q C 0.463 176.423 176.000 -0.067 0.000 0.967 223 Q CA 1.275 57.114 55.803 0.061 0.000 0.926 223 Q CB -0.634 28.138 28.738 0.056 0.000 0.992 223 Q HN 0.367 nan 8.270 nan 0.000 0.506 224 D N 1.838 122.124 120.400 -0.189 0.000 2.349 224 D HA 0.015 4.656 4.640 0.002 0.000 0.214 224 D C 0.141 176.323 176.300 -0.196 0.000 1.063 224 D CA 0.614 54.420 54.000 -0.324 0.000 0.847 224 D CB 0.317 40.663 40.800 -0.757 0.000 0.933 224 D HN 0.427 nan 8.370 nan 0.000 0.513 225 T N 0.677 115.181 114.554 -0.084 0.000 2.916 225 T HA 0.193 4.544 4.350 0.002 0.000 0.303 225 T C 0.565 175.170 174.700 -0.158 0.000 1.025 225 T CA -0.817 61.234 62.100 -0.082 0.000 1.142 225 T CB 1.000 69.610 68.868 -0.429 0.000 0.947 225 T HN -0.028 nan 8.240 nan 0.000 0.544 226 N N 2.633 121.222 118.700 -0.186 0.000 2.476 226 N HA 0.272 5.012 4.740 0.002 0.000 0.287 226 N C 0.854 176.293 175.510 -0.119 0.000 1.262 226 N CA -1.075 51.881 53.050 -0.156 0.000 0.980 226 N CB 0.044 38.425 38.487 -0.178 0.000 1.163 226 N HN 0.507 nan 8.380 nan 0.000 0.592 227 N N -0.360 118.289 118.700 -0.085 0.000 2.106 227 N HA -0.094 4.646 4.740 0.002 0.000 0.188 227 N C 1.419 176.928 175.510 -0.002 0.000 1.029 227 N CA 0.608 53.648 53.050 -0.016 0.000 0.848 227 N CB -0.350 38.125 38.487 -0.021 0.000 1.007 227 N HN 0.434 nan 8.380 nan 0.000 0.423 228 I N 2.243 122.765 120.570 -0.080 0.000 2.194 228 I HA -0.268 3.903 4.170 0.002 0.000 0.246 228 I C 2.110 178.132 176.117 -0.159 0.000 1.093 228 I CA 1.418 62.649 61.300 -0.115 0.000 1.355 228 I CB -0.746 37.174 38.000 -0.133 0.000 1.046 228 I HN 0.191 nan 8.210 nan 0.000 0.413 229 Q N -1.007 118.643 119.800 -0.250 0.000 2.050 229 Q HA -0.273 4.068 4.340 0.002 0.000 0.202 229 Q C 2.212 178.203 176.000 -0.016 0.000 0.980 229 Q CA 2.127 57.712 55.803 -0.362 0.000 0.840 229 Q CB -0.415 27.790 28.738 -0.888 0.000 0.898 229 Q HN 0.532 nan 8.270 nan 0.000 0.424 230 Y N 0.678 120.924 120.300 -0.090 0.000 2.053 230 Y HA -0.360 4.191 4.550 0.001 0.000 0.277 230 Y C 2.149 178.147 175.900 0.164 0.000 1.159 230 Y CA 1.797 59.958 58.100 0.101 0.000 1.125 230 Y CB -0.655 37.861 38.460 0.093 0.000 0.969 230 Y HN 0.150 nan 8.280 nan 0.000 0.492 231 A N -0.235 122.689 122.820 0.173 0.000 1.884 231 A HA -0.322 3.999 4.320 0.002 0.000 0.219 231 A C 2.117 179.662 177.584 -0.065 0.000 1.197 231 A CA 2.024 54.068 52.037 0.011 0.000 0.637 231 A CB -1.901 17.009 19.000 -0.150 0.000 0.827 231 A HN 0.835 nan 8.150 nan 0.000 0.450 232 W N 0.677 121.797 121.300 -0.301 0.000 2.321 232 W HA -0.222 4.439 4.660 0.001 0.000 0.306 232 W C 1.767 178.398 176.519 0.186 0.000 1.217 232 W CA 1.953 59.271 57.345 -0.044 0.000 1.257 232 W CB -0.173 29.255 29.460 -0.054 0.000 1.145 232 W HN 0.292 nan 8.180 nan 0.000 0.509 233 I N 0.441 121.144 120.570 0.222 0.000 2.226 233 I HA -0.254 3.917 4.170 0.002 0.000 0.245 233 I C 2.556 178.694 176.117 0.035 0.000 1.100 233 I CA 1.558 62.923 61.300 0.109 0.000 1.374 233 I CB -1.497 36.667 38.000 0.272 0.000 1.057 233 I HN 0.074 nan 8.210 nan 0.000 0.413 234 R N 0.496 121.004 120.500 0.012 0.000 2.091 234 R HA -0.148 4.193 4.340 0.002 0.000 0.238 234 R C 2.335 178.629 176.300 -0.010 0.000 1.136 234 R CA 1.232 57.342 56.100 0.017 0.000 0.959 234 R CB -0.230 30.038 30.300 -0.053 0.000 0.856 234 R HN 0.343 nan 8.270 nan 0.000 0.437 235 L N 0.381 121.611 121.223 0.013 0.000 1.976 235 L HA -0.221 4.120 4.340 0.002 0.000 0.209 235 L C 2.368 179.112 176.870 -0.210 0.000 1.071 235 L CA 0.950 55.768 54.840 -0.036 0.000 0.746 235 L CB -0.775 41.353 42.059 0.116 0.000 0.890 235 L HN 0.244 nan 8.230 nan 0.000 0.432 236 L N 0.571 121.594 121.223 -0.332 0.000 2.651 236 L HA -0.044 4.297 4.340 0.002 0.000 0.236 236 L C 1.029 177.787 176.870 -0.187 0.000 1.173 236 L CA 1.013 55.596 54.840 -0.429 0.000 0.843 236 L CB -0.836 40.955 42.059 -0.446 0.000 0.964 236 L HN 0.176 nan 8.230 nan 0.000 0.454 237 A N -1.373 121.394 122.820 -0.089 0.000 3.204 237 A HA 0.648 4.969 4.320 0.002 0.000 0.327 237 A C 1.243 178.822 177.584 -0.007 0.000 0.998 237 A CA -0.030 52.019 52.037 0.020 0.000 0.891 237 A CB -0.490 18.619 19.000 0.182 0.000 1.061 237 A HN 0.393 nan 8.150 nan 0.000 0.478 238 G N 0.495 109.256 108.800 -0.065 0.000 2.879 238 G HA2 -0.096 3.865 3.960 0.002 0.000 0.200 238 G HA3 -0.096 3.865 3.960 0.002 0.000 0.200 238 G C 0.580 175.441 174.900 -0.066 0.000 1.437 238 G CA 1.567 46.620 45.100 -0.079 0.000 0.835 238 G HN 0.483 nan 8.290 nan 0.000 0.640 239 D N -1.524 118.846 120.400 -0.050 0.000 2.486 239 D HA 0.046 4.687 4.640 0.002 0.000 0.243 239 D C 2.426 178.717 176.300 -0.015 0.000 1.146 239 D CA 0.943 54.920 54.000 -0.038 0.000 0.821 239 D CB 0.361 41.133 40.800 -0.047 0.000 1.201 239 D HN 0.436 nan 8.370 nan 0.000 0.525 240 T N -1.321 113.220 114.554 -0.023 0.000 3.054 240 T HA 0.173 4.524 4.350 0.002 0.000 0.259 240 T C 1.322 176.023 174.700 0.001 0.000 1.092 240 T CA 0.034 62.123 62.100 -0.018 0.000 1.121 240 T CB 0.273 69.117 68.868 -0.040 0.000 0.912 240 T HN 0.005 nan 8.240 nan 0.000 0.489 241 G N 1.202 110.011 108.800 0.015 0.000 2.372 241 G HA2 0.532 4.493 3.960 0.002 0.000 0.283 241 G HA3 0.532 4.493 3.960 0.002 0.000 0.283 241 G C -0.916 174.030 174.900 0.078 0.000 1.177 241 G CA -0.662 44.462 45.100 0.041 0.000 0.842 241 G HN 0.043 nan 8.290 nan 0.000 0.503 242 K N 1.077 121.517 120.400 0.067 0.000 2.334 242 K HA 0.418 4.739 4.320 0.002 0.000 0.265 242 K C -0.354 176.283 176.600 0.061 0.000 1.039 242 K CA -0.631 55.698 56.287 0.070 0.000 0.920 242 K CB 1.375 33.910 32.500 0.058 0.000 1.160 242 K HN 0.419 nan 8.250 nan 0.000 0.451 243 V N 3.605 123.554 119.914 0.057 0.000 2.459 243 V HA 0.665 4.786 4.120 0.002 0.000 0.295 243 V C -0.669 175.398 176.094 -0.045 0.000 1.029 243 V CA -0.982 61.326 62.300 0.013 0.000 0.874 243 V CB 1.516 33.349 31.823 0.018 0.000 0.985 243 V HN 0.834 nan 8.190 nan 0.000 0.438 244 M N 8.672 128.206 119.600 -0.110 0.000 2.205 244 M HA 0.694 5.175 4.480 0.002 0.000 0.344 244 M C -0.849 175.250 176.300 -0.335 0.000 1.085 244 M CA -0.548 54.632 55.300 -0.200 0.000 1.001 244 M CB 1.342 33.879 32.600 -0.105 0.000 1.626 244 M HN 0.858 nan 8.290 nan 0.000 0.442 245 I N 2.537 122.738 120.570 -0.615 0.000 2.750 245 I HA 0.890 5.061 4.170 0.002 0.000 0.308 245 I C -1.458 174.452 176.117 -0.346 0.000 1.016 245 I CA -1.037 59.904 61.300 -0.597 0.000 1.098 245 I CB 2.095 39.305 38.000 -1.317 0.000 1.279 245 I HN 0.538 nan 8.210 nan 0.000 0.454 246 V N 2.905 122.737 119.914 -0.137 0.000 2.841 246 V HA 0.974 5.095 4.120 0.002 0.000 0.310 246 V C 0.234 176.358 176.094 0.050 0.000 1.090 246 V CA 0.083 62.354 62.300 -0.049 0.000 0.930 246 V CB 1.343 33.157 31.823 -0.014 0.000 1.014 246 V HN 1.284 nan 8.190 nan 0.000 0.425 247 G N 2.478 111.301 108.800 0.038 0.000 2.315 247 G HA2 0.503 4.464 3.960 0.002 0.000 0.294 247 G HA3 0.503 4.464 3.960 0.002 0.000 0.294 247 G C -2.471 172.460 174.900 0.052 0.000 1.300 247 G CA -0.370 44.776 45.100 0.075 0.000 0.843 247 G HN 0.650 nan 8.290 nan 0.000 0.527 248 D N -0.488 119.945 120.400 0.055 0.000 2.763 248 D HA 0.326 4.967 4.640 0.002 0.000 0.235 248 D C 0.826 177.140 176.300 0.024 0.000 1.334 248 D CA -0.169 53.853 54.000 0.038 0.000 0.950 248 D CB 1.668 42.498 40.800 0.048 0.000 1.433 248 D HN 0.356 nan 8.370 nan 0.000 0.580 249 D N 2.075 122.483 120.400 0.013 0.000 2.264 249 D HA -0.171 4.470 4.640 0.002 0.000 0.208 249 D C 0.492 176.764 176.300 -0.046 0.000 0.966 249 D CA 0.560 54.562 54.000 0.002 0.000 0.864 249 D CB 0.281 41.086 40.800 0.009 0.000 0.933 249 D HN 0.366 nan 8.370 nan 0.000 0.499 250 D N 0.367 120.707 120.400 -0.100 0.000 2.363 250 D HA -0.021 4.620 4.640 0.002 0.000 0.220 250 D C 0.831 177.039 176.300 -0.154 0.000 0.994 250 D CA 0.392 54.252 54.000 -0.233 0.000 0.890 250 D CB 0.239 40.745 40.800 -0.489 0.000 0.906 250 D HN 0.460 nan 8.370 nan 0.000 0.530 251 Q N -0.012 119.774 119.800 -0.023 0.000 2.165 251 Q HA 0.114 4.455 4.340 0.002 0.000 0.245 251 Q C -0.044 175.957 176.000 0.001 0.000 0.841 251 Q CA -0.131 55.698 55.803 0.043 0.000 1.078 251 Q CB 1.076 29.869 28.738 0.090 0.000 1.169 251 Q HN -0.131 nan 8.270 nan 0.000 0.475 252 S N 1.645 117.336 115.700 -0.015 0.000 2.642 252 S HA 0.235 4.706 4.470 0.002 0.000 0.309 252 S C 0.694 175.276 174.600 -0.031 0.000 1.125 252 S CA -0.540 57.651 58.200 -0.014 0.000 1.055 252 S CB -0.315 62.883 63.200 -0.004 0.000 1.157 252 S HN 0.533 nan 8.310 nan 0.000 0.513 253 I N 1.314 121.823 120.570 -0.102 0.000 3.941 253 I HA 0.412 4.583 4.170 0.002 0.000 0.335 253 I C -0.786 175.200 176.117 -0.218 0.000 1.402 253 I CA -0.474 60.714 61.300 -0.187 0.000 1.112 253 I CB -0.064 37.681 38.000 -0.424 0.000 1.043 253 I HN 0.430 nan 8.210 nan 0.000 0.395 254 Y N 1.749 122.048 120.300 -0.002 0.000 2.722 254 Y HA 0.521 5.071 4.550 0.001 0.000 0.314 254 Y C 1.835 177.499 175.900 -0.393 0.000 1.008 254 Y CA -0.616 57.321 58.100 -0.271 0.000 1.294 254 Y CB 0.811 39.079 38.460 -0.321 0.000 1.231 254 Y HN 0.164 nan 8.280 nan 0.000 0.558 255 G N 0.637 109.409 108.800 -0.047 0.000 2.404 255 G HA2 -0.217 3.744 3.960 0.002 0.000 0.215 255 G HA3 -0.217 3.744 3.960 0.002 0.000 0.215 255 G C 1.521 176.412 174.900 -0.014 0.000 1.174 255 G CA 0.721 45.822 45.100 0.002 0.000 0.780 255 G HN 0.709 nan 8.290 nan 0.000 0.537 256 W N 0.777 122.162 121.300 0.141 0.000 2.389 256 W HA 0.021 4.682 4.660 0.001 0.000 0.267 256 W C 1.506 178.131 176.519 0.177 0.000 1.219 256 W CA 0.644 58.089 57.345 0.167 0.000 1.189 256 W CB -0.559 28.989 29.460 0.146 0.000 1.129 256 W HN 0.210 nan 8.180 nan 0.000 0.581 257 R N 0.560 120.607 120.500 -0.754 0.000 2.515 257 R HA 0.284 4.625 4.340 0.002 0.000 0.294 257 R C 1.456 177.547 176.300 -0.349 0.000 1.021 257 R CA 0.562 56.265 56.100 -0.662 0.000 1.081 257 R CB -0.425 29.165 30.300 -1.184 0.000 1.263 257 R HN 0.213 nan 8.270 nan 0.000 0.557 258 G N -0.608 108.057 108.800 -0.225 0.000 2.175 258 G HA2 -0.283 3.677 3.960 0.002 0.000 0.244 258 G HA3 -0.283 3.677 3.960 0.002 0.000 0.244 258 G C 0.091 174.901 174.900 -0.150 0.000 0.982 258 G CA -0.003 44.990 45.100 -0.179 0.000 0.641 258 G HN 0.515 nan 8.290 nan 0.000 0.527 259 A N 0.003 122.735 122.820 -0.147 0.000 2.407 259 A HA 0.657 4.978 4.320 0.002 0.000 0.248 259 A C 0.399 177.939 177.584 -0.073 0.000 1.082 259 A CA 0.249 52.219 52.037 -0.112 0.000 0.785 259 A CB 0.397 19.339 19.000 -0.096 0.000 1.020 259 A HN 0.342 nan 8.150 nan 0.000 0.489 260 Q N 2.312 122.069 119.800 -0.072 0.000 2.454 260 Q HA 0.267 4.608 4.340 0.002 0.000 0.255 260 Q C 0.743 176.726 176.000 -0.027 0.000 1.034 260 Q CA -0.382 55.391 55.803 -0.050 0.000 0.736 260 Q CB 1.270 29.965 28.738 -0.072 0.000 1.210 260 Q HN 0.533 nan 8.270 nan 0.000 0.500 261 V N 1.712 121.624 119.914 -0.004 0.000 2.469 261 V HA -0.292 3.829 4.120 0.002 0.000 0.251 261 V C 1.470 177.590 176.094 0.045 0.000 1.064 261 V CA 1.824 64.137 62.300 0.021 0.000 1.066 261 V CB -0.290 31.545 31.823 0.019 0.000 0.667 261 V HN 0.583 nan 8.190 nan 0.000 0.461 262 E N 0.780 120.994 120.200 0.023 0.000 2.160 262 E HA -0.198 4.152 4.350 0.002 0.000 0.195 262 E C 1.961 178.590 176.600 0.048 0.000 0.991 262 E CA 1.223 57.639 56.400 0.026 0.000 0.810 262 E CB -0.592 29.105 29.700 -0.004 0.000 0.742 262 E HN 0.576 nan 8.360 nan 0.000 0.466 263 N N 0.285 119.004 118.700 0.031 0.000 2.322 263 N HA -0.186 4.555 4.740 0.002 0.000 0.189 263 N C 1.532 177.316 175.510 0.456 0.000 1.012 263 N CA 0.668 53.777 53.050 0.098 0.000 0.880 263 N CB -0.203 38.337 38.487 0.089 0.000 0.967 263 N HN 0.210 nan 8.380 nan 0.000 0.439 264 I N 0.471 121.256 120.570 0.359 0.000 2.252 264 I HA -0.242 3.929 4.170 0.002 0.000 0.245 264 I C 2.199 178.471 176.117 0.259 0.000 1.102 264 I CA 1.292 62.791 61.300 0.331 0.000 1.385 264 I CB -0.075 38.050 38.000 0.207 0.000 1.064 264 I HN 0.043 nan 8.210 nan 0.000 0.414 265 Q N 0.426 120.340 119.800 0.191 0.000 2.269 265 Q HA -0.136 4.205 4.340 0.002 0.000 0.201 265 Q C 2.314 178.425 176.000 0.186 0.000 0.946 265 Q CA 1.298 57.196 55.803 0.158 0.000 0.877 265 Q CB -0.352 28.444 28.738 0.097 0.000 0.963 265 Q HN 0.398 nan 8.270 nan 0.000 0.472 266 R N -0.965 119.647 120.500 0.186 0.000 2.152 266 R HA -0.119 4.222 4.340 0.002 0.000 0.232 266 R C 1.746 178.298 176.300 0.420 0.000 1.117 266 R CA 1.228 57.427 56.100 0.165 0.000 0.981 266 R CB -0.312 29.922 30.300 -0.109 0.000 0.870 266 R HN 0.403 nan 8.270 nan 0.000 0.451 267 F N 0.651 120.830 119.950 0.381 0.000 2.259 267 F HA -0.031 4.497 4.527 0.002 0.000 0.298 267 F C 1.487 177.465 175.800 0.297 0.000 1.088 267 F CA 1.082 59.318 58.000 0.394 0.000 1.358 267 F CB 0.052 39.037 39.000 -0.026 0.000 1.040 267 F HN -0.049 nan 8.300 nan 0.000 0.505 268 L N 0.196 121.574 121.223 0.258 0.000 2.217 268 L HA -0.158 4.183 4.340 0.002 0.000 0.211 268 L C 1.839 178.756 176.870 0.079 0.000 1.107 268 L CA 0.675 55.592 54.840 0.128 0.000 0.783 268 L CB -0.675 41.477 42.059 0.155 0.000 0.919 268 L HN 0.187 nan 8.230 nan 0.000 0.442 269 N N -0.285 118.484 118.700 0.115 0.000 2.278 269 N HA -0.098 4.643 4.740 0.002 0.000 0.181 269 N C 1.336 176.874 175.510 0.048 0.000 1.023 269 N CA 0.972 54.066 53.050 0.074 0.000 0.862 269 N CB -0.304 38.227 38.487 0.073 0.000 1.003 269 N HN 0.188 nan 8.380 nan 0.000 0.431 270 D N 0.207 120.663 120.400 0.093 0.000 2.218 270 D HA -0.066 4.575 4.640 0.002 0.000 0.204 270 D C -0.240 175.862 176.300 -0.329 0.000 0.976 270 D CA 0.931 54.877 54.000 -0.090 0.000 0.853 270 D CB -0.154 40.621 40.800 -0.043 0.000 0.939 270 D HN 0.234 nan 8.370 nan 0.000 0.481 271 F N 1.188 120.974 119.950 -0.274 0.000 2.552 271 F HA 0.338 4.866 4.527 0.002 0.000 0.369 271 F C -2.014 173.640 175.800 -0.243 0.000 1.112 271 F CA -2.976 54.835 58.000 -0.316 0.000 1.129 271 F CB 1.050 39.706 39.000 -0.574 0.000 1.360 271 F HN -0.239 nan 8.300 nan 0.000 0.473 272 P HA 0.171 nan 4.420 nan 0.000 0.282 272 P C 0.882 178.190 177.300 0.013 0.000 1.286 272 P CA 0.266 63.371 63.100 0.008 0.000 0.777 272 P CB 0.825 32.525 31.700 -0.000 0.000 1.184 273 G N -1.368 107.441 108.800 0.015 0.000 2.200 273 G HA2 -0.218 3.743 3.960 0.002 0.000 0.267 273 G HA3 -0.218 3.743 3.960 0.002 0.000 0.267 273 G C 0.455 175.370 174.900 0.024 0.000 0.993 273 G CA 0.402 45.513 45.100 0.019 0.000 0.701 273 G HN 0.868 nan 8.290 nan 0.000 0.524 274 A N 0.221 123.053 122.820 0.020 0.000 2.316 274 A HA 0.651 4.972 4.320 0.002 0.000 0.311 274 A C 0.574 178.195 177.584 0.063 0.000 1.339 274 A CA -0.148 51.908 52.037 0.033 0.000 0.960 274 A CB 0.375 19.344 19.000 -0.052 0.000 1.152 274 A HN 0.563 nan 8.150 nan 0.000 0.547 275 E N 0.952 121.187 120.200 0.058 0.000 2.421 275 E HA 0.421 4.772 4.350 0.002 0.000 0.253 275 E C -0.457 176.177 176.600 0.056 0.000 1.277 275 E CA -0.108 56.321 56.400 0.048 0.000 0.968 275 E CB 0.525 30.243 29.700 0.031 0.000 1.040 275 E HN 0.530 nan 8.360 nan 0.000 0.512 276 T N 0.842 115.418 114.554 0.037 0.000 2.928 276 T HA 0.490 4.840 4.350 0.002 0.000 0.296 276 T C -0.442 174.267 174.700 0.014 0.000 1.000 276 T CA -0.577 61.540 62.100 0.029 0.000 0.989 276 T CB 0.548 69.438 68.868 0.037 0.000 1.005 276 T HN 0.245 nan 8.240 nan 0.000 0.442 277 I N 2.789 123.361 120.570 0.002 0.000 2.406 277 I HA 0.477 4.648 4.170 0.002 0.000 0.290 277 I C 0.118 176.240 176.117 0.008 0.000 0.999 277 I CA -0.906 60.395 61.300 0.001 0.000 1.124 277 I CB 1.899 39.889 38.000 -0.016 0.000 1.289 277 I HN 0.292 nan 8.210 nan 0.000 0.441 278 R N 6.392 126.908 120.500 0.026 0.000 2.255 278 R HA 0.555 4.896 4.340 0.002 0.000 0.326 278 R C -1.036 175.298 176.300 0.056 0.000 0.986 278 R CA -0.723 55.401 56.100 0.041 0.000 0.847 278 R CB 1.464 31.798 30.300 0.055 0.000 1.111 278 R HN 0.522 nan 8.270 nan 0.000 0.452 279 L N 3.962 125.212 121.223 0.045 0.000 2.282 279 L HA 0.217 4.557 4.340 0.002 0.000 0.287 279 L C 0.707 177.610 176.870 0.055 0.000 1.075 279 L CA 0.200 55.069 54.840 0.049 0.000 0.839 279 L CB 0.828 42.902 42.059 0.024 0.000 1.219 279 L HN 0.705 nan 8.230 nan 0.000 0.434 280 E N 1.320 121.574 120.200 0.090 0.000 2.490 280 E HA 0.018 4.369 4.350 0.002 0.000 0.209 280 E C 0.328 176.798 176.600 -0.217 0.000 0.971 280 E CA -0.128 56.318 56.400 0.077 0.000 0.988 280 E CB 0.799 30.655 29.700 0.259 0.000 1.029 280 E HN 0.542 nan 8.360 nan 0.000 0.496 281 Q N 2.488 122.070 119.800 -0.365 0.000 2.307 281 Q HA 0.046 4.387 4.340 0.002 0.000 0.261 281 Q C -0.593 175.033 176.000 -0.624 0.000 1.051 281 Q CA -0.217 54.934 55.803 -1.087 0.000 0.911 281 Q CB 0.412 28.607 28.738 -0.905 0.000 1.227 281 Q HN 0.012 nan 8.270 nan 0.000 0.418 282 N N 3.638 121.953 118.700 -0.641 0.000 2.479 282 N HA 0.034 4.775 4.740 0.002 0.000 0.285 282 N C -0.886 174.382 175.510 -0.403 0.000 1.075 282 N CA 0.072 52.935 53.050 -0.312 0.000 0.967 282 N CB 0.625 38.976 38.487 -0.226 0.000 1.137 282 N HN 0.598 nan 8.380 nan 0.000 0.472 283 Y N 1.757 121.936 120.300 -0.201 0.000 2.531 283 Y HA 0.308 4.859 4.550 0.001 0.000 0.249 283 Y C 2.060 177.893 175.900 -0.111 0.000 1.168 283 Y CA -0.322 57.686 58.100 -0.154 0.000 1.226 283 Y CB 0.358 38.743 38.460 -0.125 0.000 1.177 283 Y HN 0.535 nan 8.280 nan 0.000 0.527 284 R N 0.244 120.748 120.500 0.006 0.000 2.087 284 R HA 0.105 4.446 4.340 0.002 0.000 0.213 284 R C 0.634 176.910 176.300 -0.041 0.000 1.137 284 R CA 1.000 57.088 56.100 -0.019 0.000 1.022 284 R CB 0.166 30.441 30.300 -0.041 0.000 0.920 284 R HN 0.261 nan 8.270 nan 0.000 0.451 285 S N -0.251 115.410 115.700 -0.065 0.000 2.704 285 S HA 0.295 4.766 4.470 0.002 0.000 0.305 285 S C 0.047 174.611 174.600 -0.060 0.000 1.107 285 S CA -0.653 57.510 58.200 -0.060 0.000 0.993 285 S CB 1.656 64.813 63.200 -0.072 0.000 1.110 285 S HN 0.320 nan 8.310 nan 0.000 0.534 286 T N -0.982 113.547 114.554 -0.042 0.000 2.795 286 T HA 0.173 4.524 4.350 0.002 0.000 0.314 286 T C 1.198 175.881 174.700 -0.028 0.000 1.069 286 T CA 0.161 62.243 62.100 -0.029 0.000 1.071 286 T CB 0.468 69.327 68.868 -0.015 0.000 0.988 286 T HN 0.699 nan 8.240 nan 0.000 0.543 287 S N 0.688 116.381 115.700 -0.011 0.000 2.419 287 S HA -0.151 4.320 4.470 0.002 0.000 0.233 287 S C 1.998 176.602 174.600 0.007 0.000 1.016 287 S CA 1.312 59.515 58.200 0.006 0.000 0.974 287 S CB -0.835 62.382 63.200 0.027 0.000 0.786 287 S HN 0.832 nan 8.310 nan 0.000 0.492 288 N N 1.469 120.169 118.700 0.001 0.000 2.106 288 N HA 0.019 4.760 4.740 0.002 0.000 0.188 288 N C 1.570 177.074 175.510 -0.009 0.000 1.029 288 N CA 1.699 54.750 53.050 0.001 0.000 0.848 288 N CB -0.473 38.015 38.487 0.002 0.000 1.007 288 N HN 0.482 nan 8.380 nan 0.000 0.423 289 I N 0.420 120.975 120.570 -0.024 0.000 2.142 289 I HA -0.269 3.902 4.170 0.002 0.000 0.240 289 I C 2.113 178.201 176.117 -0.048 0.000 1.078 289 I CA 0.810 62.084 61.300 -0.043 0.000 1.343 289 I CB -0.345 37.619 38.000 -0.061 0.000 1.046 289 I HN 0.163 nan 8.210 nan 0.000 0.405 290 L N 0.223 121.419 121.223 -0.044 0.000 2.043 290 L HA -0.300 4.041 4.340 0.002 0.000 0.212 290 L C 2.812 179.683 176.870 0.001 0.000 1.075 290 L CA 1.773 56.592 54.840 -0.035 0.000 0.752 290 L CB -0.897 41.151 42.059 -0.019 0.000 0.891 290 L HN 0.380 nan 8.230 nan 0.000 0.432 291 S N 0.302 116.009 115.700 0.012 0.000 2.377 291 S HA -0.331 4.140 4.470 0.002 0.000 0.224 291 S C 2.168 176.780 174.600 0.021 0.000 1.042 291 S CA 1.877 60.092 58.200 0.024 0.000 1.086 291 S CB -0.366 62.846 63.200 0.020 0.000 0.995 291 S HN 0.431 nan 8.310 nan 0.000 0.428 292 A N 1.941 124.764 122.820 0.006 0.000 1.940 292 A HA 0.155 4.476 4.320 0.002 0.000 0.219 292 A C 2.592 180.184 177.584 0.012 0.000 1.176 292 A CA 2.288 54.328 52.037 0.005 0.000 0.631 292 A CB -1.678 17.317 19.000 -0.009 0.000 0.814 292 A HN 1.049 nan 8.150 nan 0.000 0.446 293 A N 0.940 123.758 122.820 -0.003 0.000 1.849 293 A HA -0.288 4.033 4.320 0.002 0.000 0.217 293 A C 1.908 179.588 177.584 0.160 0.000 1.202 293 A CA 1.886 53.936 52.037 0.022 0.000 0.629 293 A CB -0.938 18.005 19.000 -0.094 0.000 0.834 293 A HN 0.653 nan 8.150 nan 0.000 0.447 294 N N 0.405 119.184 118.700 0.130 0.000 2.192 294 N HA -0.195 4.545 4.740 0.002 0.000 0.188 294 N C 1.843 177.399 175.510 0.077 0.000 1.013 294 N CA 1.626 54.751 53.050 0.125 0.000 0.863 294 N CB -0.410 38.131 38.487 0.090 0.000 0.990 294 N HN 0.564 nan 8.380 nan 0.000 0.430 295 A N 1.483 124.337 122.820 0.056 0.000 1.874 295 A HA -0.005 4.315 4.320 0.002 0.000 0.214 295 A C 2.292 179.892 177.584 0.025 0.000 1.189 295 A CA 0.543 52.600 52.037 0.033 0.000 0.615 295 A CB -0.723 18.292 19.000 0.026 0.000 0.830 295 A HN 0.194 nan 8.150 nan 0.000 0.443 296 L N -0.232 121.008 121.223 0.028 0.000 1.990 296 L HA -0.188 4.153 4.340 0.002 0.000 0.213 296 L C 2.167 179.025 176.870 -0.020 0.000 1.072 296 L CA 2.443 57.281 54.840 -0.005 0.000 0.755 296 L CB -0.551 41.495 42.059 -0.020 0.000 0.889 296 L HN 0.340 nan 8.230 nan 0.000 0.432 297 I N -0.081 120.500 120.570 0.017 0.000 2.454 297 I HA -0.230 3.941 4.170 0.002 0.000 0.254 297 I C 2.282 178.350 176.117 -0.081 0.000 1.156 297 I CA 1.311 62.560 61.300 -0.085 0.000 1.433 297 I CB -0.504 37.348 38.000 -0.246 0.000 1.082 297 I HN 0.439 nan 8.210 nan 0.000 0.432 298 E N 0.105 120.285 120.200 -0.033 0.000 2.401 298 E HA -0.159 4.191 4.350 0.002 0.000 0.199 298 E C 1.514 178.104 176.600 -0.017 0.000 1.023 298 E CA 0.430 56.815 56.400 -0.024 0.000 0.859 298 E CB -0.177 29.521 29.700 -0.004 0.000 0.780 298 E HN 0.583 nan 8.360 nan 0.000 0.523 299 N N 0.882 119.574 118.700 -0.014 0.000 2.459 299 N HA -0.045 4.696 4.740 0.002 0.000 0.181 299 N C 0.278 175.788 175.510 0.001 0.000 1.046 299 N CA 0.400 53.452 53.050 0.003 0.000 0.904 299 N CB 0.097 38.596 38.487 0.021 0.000 0.964 299 N HN 0.135 nan 8.380 nan 0.000 0.444 300 N N 1.742 120.430 118.700 -0.020 0.000 2.463 300 N HA 0.125 4.866 4.740 0.002 0.000 0.270 300 N C -0.381 175.119 175.510 -0.016 0.000 1.205 300 N CA -0.126 52.915 53.050 -0.016 0.000 0.974 300 N CB 0.800 39.263 38.487 -0.040 0.000 1.197 300 N HN 0.284 nan 8.380 nan 0.000 0.504 301 N N -2.375 116.321 118.700 -0.007 0.000 2.242 301 N HA 0.606 5.347 4.740 0.002 0.000 0.292 301 N C 0.293 175.802 175.510 -0.002 0.000 1.125 301 N CA -0.684 52.363 53.050 -0.004 0.000 0.783 301 N CB 1.942 40.431 38.487 0.004 0.000 1.558 301 N HN 0.537 nan 8.380 nan 0.000 0.472 302 G N -0.041 108.758 108.800 -0.002 0.000 2.175 302 G HA2 -0.217 3.744 3.960 0.002 0.000 0.182 302 G HA3 -0.217 3.744 3.960 0.002 0.000 0.182 302 G C -0.332 174.568 174.900 -0.000 0.000 1.003 302 G CA -0.286 44.816 45.100 0.004 0.000 0.666 302 G HN 0.778 nan 8.290 nan 0.000 0.506 303 R N -0.053 120.439 120.500 -0.013 0.000 2.583 303 R HA 0.682 5.023 4.340 0.002 0.000 0.268 303 R C 1.293 177.589 176.300 -0.007 0.000 1.101 303 R CA -0.471 55.617 56.100 -0.021 0.000 1.180 303 R CB 0.582 30.851 30.300 -0.052 0.000 1.128 303 R HN 0.130 nan 8.270 nan 0.000 0.568 304 L N 0.432 121.653 121.223 -0.003 0.000 2.558 304 L HA 0.182 4.522 4.340 0.002 0.000 0.225 304 L C 0.927 177.800 176.870 0.004 0.000 1.128 304 L CA 0.417 55.262 54.840 0.009 0.000 0.868 304 L CB -0.835 41.236 42.059 0.020 0.000 1.006 304 L HN 1.055 nan 8.230 nan 0.000 0.454 305 G N 2.209 111.003 108.800 -0.011 0.000 2.870 305 G HA2 -0.226 3.735 3.960 0.002 0.000 0.685 305 G HA3 -0.226 3.735 3.960 0.002 0.000 0.685 305 G C -0.538 174.367 174.900 0.010 0.000 1.556 305 G CA 0.130 45.225 45.100 -0.009 0.000 1.042 305 G HN 0.576 nan 8.290 nan 0.000 0.592 306 K N -0.555 119.857 120.400 0.021 0.000 2.672 306 K HA 0.798 5.119 4.320 0.002 0.000 0.295 306 K C -1.487 175.159 176.600 0.076 0.000 1.042 306 K CA -1.347 54.971 56.287 0.053 0.000 0.869 306 K CB 1.309 33.844 32.500 0.058 0.000 1.541 306 K HN 0.414 nan 8.250 nan 0.000 0.396 307 K N 1.967 122.438 120.400 0.117 0.000 2.656 307 K HA 0.321 4.642 4.320 0.002 0.000 0.241 307 K C -0.958 175.767 176.600 0.209 0.000 0.967 307 K CA -0.445 55.927 56.287 0.143 0.000 0.946 307 K CB 1.345 33.919 32.500 0.122 0.000 1.164 307 K HN 0.593 nan 8.250 nan 0.000 0.459 308 L N 4.631 125.948 121.223 0.158 0.000 2.500 308 L HA 0.198 4.539 4.340 0.002 0.000 0.272 308 L C 0.472 177.427 176.870 0.142 0.000 1.149 308 L CA -0.007 54.893 54.840 0.100 0.000 0.897 308 L CB -0.128 41.959 42.059 0.047 0.000 1.178 308 L HN 0.519 nan 8.230 nan 0.000 0.473 309 W N 3.314 124.599 121.300 -0.026 0.000 2.894 309 W HA 0.747 5.408 4.660 0.001 0.000 0.345 309 W C -0.816 175.652 176.519 -0.085 0.000 1.152 309 W CA -0.888 56.430 57.345 -0.046 0.000 1.089 309 W CB 1.527 30.963 29.460 -0.041 0.000 1.454 309 W HN 0.362 nan 8.180 nan 0.000 0.589 310 T N 0.356 114.990 114.554 0.135 0.000 2.843 310 T HA 0.201 4.552 4.350 0.002 0.000 0.302 310 T C -1.077 173.709 174.700 0.143 0.000 1.232 310 T CA -0.477 61.502 62.100 -0.202 0.000 1.009 310 T CB 1.446 70.205 68.868 -0.182 0.000 1.254 310 T HN 0.471 nan 8.240 nan 0.000 0.504 311 D N 1.146 121.526 120.400 -0.034 0.000 3.058 311 D HA 0.429 5.070 4.640 0.002 0.000 0.272 311 D C 0.524 176.834 176.300 0.016 0.000 1.350 311 D CA -0.408 53.660 54.000 0.113 0.000 0.863 311 D CB 0.211 41.084 40.800 0.121 0.000 1.064 311 D HN 0.693 nan 8.370 nan 0.000 0.488 312 G N -0.798 108.005 108.800 0.005 0.000 2.921 312 G HA2 0.588 4.549 3.960 0.002 0.000 0.291 312 G HA3 0.588 4.549 3.960 0.002 0.000 0.291 312 G C -0.745 174.161 174.900 0.010 0.000 1.370 312 G CA -0.510 44.588 45.100 -0.003 0.000 0.847 312 G HN 0.323 nan 8.290 nan 0.000 0.532 313 A N -0.582 122.243 122.820 0.008 0.000 2.536 313 A HA 0.343 4.664 4.320 0.002 0.000 0.234 313 A C 0.959 178.550 177.584 0.011 0.000 1.076 313 A CA 0.871 52.916 52.037 0.012 0.000 0.769 313 A CB 0.021 19.029 19.000 0.014 0.000 1.020 313 A HN 0.511 nan 8.150 nan 0.000 0.508 314 D N 0.178 120.587 120.400 0.014 0.000 2.183 314 D HA 0.314 4.955 4.640 0.002 0.000 0.205 314 D C 1.289 177.595 176.300 0.010 0.000 0.962 314 D CA 1.635 55.643 54.000 0.014 0.000 0.849 314 D CB -0.603 40.207 40.800 0.016 0.000 0.978 314 D HN 1.319 nan 8.370 nan 0.000 0.488 315 G N 1.059 109.867 108.800 0.013 0.000 2.846 315 G HA2 -0.242 3.719 3.960 0.002 0.000 0.660 315 G HA3 -0.242 3.719 3.960 0.002 0.000 0.660 315 G C -0.413 174.496 174.900 0.015 0.000 1.464 315 G CA -0.465 44.644 45.100 0.015 0.000 0.891 315 G HN 0.221 nan 8.290 nan 0.000 0.552 316 E N 1.734 121.945 120.200 0.019 0.000 2.438 316 E HA 0.262 4.613 4.350 0.002 0.000 0.261 316 E C -1.619 174.988 176.600 0.012 0.000 1.103 316 E CA -0.367 56.045 56.400 0.021 0.000 0.959 316 E CB 0.421 30.137 29.700 0.027 0.000 0.958 316 E HN 0.510 nan 8.360 nan 0.000 0.447 317 P HA 0.149 nan 4.420 nan 0.000 0.277 317 P C -0.562 176.743 177.300 0.008 0.000 1.271 317 P CA -0.430 62.678 63.100 0.013 0.000 0.795 317 P CB 0.575 32.288 31.700 0.022 0.000 1.101 318 I N 0.709 121.283 120.570 0.007 0.000 2.452 318 I HA 0.069 4.240 4.170 0.002 0.000 0.287 318 I C 1.151 177.286 176.117 0.030 0.000 1.079 318 I CA 0.703 62.004 61.300 0.003 0.000 1.387 318 I CB -0.098 37.903 38.000 0.002 0.000 1.404 318 I HN 0.286 nan 8.210 nan 0.000 0.522 319 S N 7.003 122.729 115.700 0.043 0.000 2.617 319 S HA 0.813 5.284 4.470 0.002 0.000 0.283 319 S C -0.491 174.175 174.600 0.111 0.000 1.189 319 S CA -0.943 57.308 58.200 0.086 0.000 1.036 319 S CB 1.294 64.566 63.200 0.120 0.000 1.014 319 S HN 0.408 nan 8.310 nan 0.000 0.522 320 L N 2.144 123.430 121.223 0.105 0.000 2.365 320 L HA 0.544 4.884 4.340 0.002 0.000 0.273 320 L C -1.441 175.435 176.870 0.011 0.000 1.000 320 L CA -0.865 54.022 54.840 0.078 0.000 0.819 320 L CB 1.650 43.751 42.059 0.070 0.000 1.284 320 L HN 0.853 nan 8.230 nan 0.000 0.418 321 Y N 2.469 122.611 120.300 -0.262 0.000 2.373 321 Y HA 0.373 4.924 4.550 0.002 0.000 0.336 321 Y C -0.684 174.816 175.900 -0.667 0.000 0.979 321 Y CA -1.023 56.745 58.100 -0.553 0.000 1.080 321 Y CB 1.813 39.571 38.460 -1.170 0.000 1.190 321 Y HN 0.630 nan 8.280 nan 0.000 0.446 322 C N 7.619 126.056 119.300 -1.439 0.000 2.184 322 C HA 0.871 5.332 4.460 0.002 0.000 0.328 322 C C 0.433 174.688 174.990 -1.225 0.000 1.081 322 C CA -0.381 57.833 59.018 -1.340 0.000 1.533 322 C CB -2.228 24.982 27.740 -0.884 0.000 1.905 322 C HN 0.965 nan 8.230 nan 0.000 0.439 323 A N 4.251 126.494 122.820 -0.961 0.000 2.425 323 A HA 0.376 4.697 4.320 0.002 0.000 0.242 323 A C 0.649 178.183 177.584 -0.083 0.000 1.077 323 A CA -0.282 51.548 52.037 -0.345 0.000 0.781 323 A CB 0.012 19.062 19.000 0.083 0.000 1.020 323 A HN 0.949 nan 8.150 nan 0.000 0.494 324 F N 1.417 121.308 119.950 -0.099 0.000 2.134 324 F HA -0.048 4.479 4.527 0.002 0.000 0.299 324 F C 0.976 176.753 175.800 -0.039 0.000 1.097 324 F CA 1.794 59.759 58.000 -0.058 0.000 1.264 324 F CB -0.223 38.767 39.000 -0.017 0.000 1.001 324 F HN 0.814 nan 8.300 nan 0.000 0.479 325 N N -1.281 117.340 118.700 -0.133 0.000 2.934 325 N HA 0.073 4.814 4.740 0.002 0.000 0.253 325 N C 0.305 175.765 175.510 -0.084 0.000 1.466 325 N CA -0.040 52.864 53.050 -0.243 0.000 0.858 325 N CB 0.791 39.038 38.487 -0.401 0.000 1.459 325 N HN -0.033 nan 8.380 nan 0.000 0.532 326 E N 0.628 120.773 120.200 -0.091 0.000 2.153 326 E HA -0.146 4.205 4.350 0.002 0.000 0.194 326 E C 1.554 178.141 176.600 -0.021 0.000 0.988 326 E CA 0.933 57.310 56.400 -0.037 0.000 0.811 326 E CB -0.343 29.325 29.700 -0.054 0.000 0.746 326 E HN 0.569 nan 8.360 nan 0.000 0.466 327 L N 1.733 122.932 121.223 -0.039 0.000 2.079 327 L HA -0.165 4.176 4.340 0.002 0.000 0.210 327 L C 2.190 179.075 176.870 0.025 0.000 1.081 327 L CA 2.236 57.065 54.840 -0.019 0.000 0.752 327 L CB -1.444 40.602 42.059 -0.022 0.000 0.896 327 L HN 0.239 nan 8.230 nan 0.000 0.433 328 D N -0.670 119.769 120.400 0.064 0.000 2.137 328 D HA -0.186 4.455 4.640 0.002 0.000 0.202 328 D C 2.124 178.531 176.300 0.178 0.000 0.970 328 D CA 1.032 55.113 54.000 0.135 0.000 0.837 328 D CB 0.192 41.113 40.800 0.203 0.000 0.981 328 D HN 0.368 nan 8.370 nan 0.000 0.475 329 E N 0.147 120.448 120.200 0.170 0.000 2.048 329 E HA -0.294 4.057 4.350 0.002 0.000 0.202 329 E C 1.997 178.691 176.600 0.157 0.000 1.021 329 E CA 1.540 58.069 56.400 0.214 0.000 0.825 329 E CB -0.318 29.463 29.700 0.135 0.000 0.756 329 E HN 0.282 nan 8.360 nan 0.000 0.454 330 A N 1.656 124.510 122.820 0.057 0.000 1.849 330 A HA -0.274 4.047 4.320 0.002 0.000 0.217 330 A C 2.305 179.863 177.584 -0.043 0.000 1.202 330 A CA 2.007 54.032 52.037 -0.020 0.000 0.629 330 A CB -0.928 18.037 19.000 -0.057 0.000 0.834 330 A HN 0.361 nan 8.150 nan 0.000 0.447 331 R N -1.658 118.833 120.500 -0.015 0.000 2.159 331 R HA -0.259 4.082 4.340 0.002 0.000 0.249 331 R C 1.998 178.257 176.300 -0.068 0.000 1.136 331 R CA 2.387 58.467 56.100 -0.034 0.000 0.951 331 R CB -0.679 29.629 30.300 0.012 0.000 0.876 331 R HN 0.550 nan 8.270 nan 0.000 0.440 332 F N 0.936 120.781 119.950 -0.175 0.000 2.027 332 F HA -0.305 4.223 4.527 0.001 0.000 0.297 332 F C 2.165 177.796 175.800 -0.281 0.000 1.129 332 F CA 2.113 59.930 58.000 -0.305 0.000 1.195 332 F CB -0.835 37.843 39.000 -0.537 0.000 0.960 332 F HN -0.141 nan 8.300 nan 0.000 0.485 333 V N 0.108 119.839 119.914 -0.305 0.000 2.250 333 V HA -0.378 3.743 4.120 0.002 0.000 0.250 333 V C 2.459 178.150 176.094 -0.671 0.000 1.060 333 V CA 1.924 63.843 62.300 -0.635 0.000 1.030 333 V CB -1.097 30.406 31.823 -0.532 0.000 0.643 333 V HN 0.380 nan 8.190 nan 0.000 0.445 334 V N 0.462 120.127 119.914 -0.415 0.000 2.287 334 V HA -0.297 3.824 4.120 0.002 0.000 0.248 334 V C 2.358 178.289 176.094 -0.271 0.000 1.053 334 V CA 2.329 64.446 62.300 -0.306 0.000 1.027 334 V CB -0.903 30.802 31.823 -0.197 0.000 0.646 334 V HN 0.584 nan 8.190 nan 0.000 0.447 335 N N 0.171 118.697 118.700 -0.289 0.000 2.069 335 N HA -0.164 4.577 4.740 0.002 0.000 0.191 335 N C 1.961 177.326 175.510 -0.241 0.000 1.031 335 N CA 1.335 54.242 53.050 -0.239 0.000 0.852 335 N CB -0.404 37.935 38.487 -0.247 0.000 1.018 335 N HN 0.401 nan 8.380 nan 0.000 0.423 336 R N 1.021 121.284 120.500 -0.395 0.000 2.103 336 R HA -0.044 4.297 4.340 0.002 0.000 0.242 336 R C 2.336 178.623 176.300 -0.022 0.000 1.142 336 R CA 0.748 56.707 56.100 -0.235 0.000 0.960 336 R CB -0.967 29.167 30.300 -0.278 0.000 0.858 336 R HN 0.387 nan 8.270 nan 0.000 0.439 337 I N 0.780 121.282 120.570 -0.114 0.000 2.252 337 I HA -0.226 3.945 4.170 0.002 0.000 0.245 337 I C 2.579 178.747 176.117 0.085 0.000 1.102 337 I CA 1.018 62.325 61.300 0.012 0.000 1.385 337 I CB -0.378 37.539 38.000 -0.138 0.000 1.064 337 I HN 0.157 nan 8.210 nan 0.000 0.414 338 K N 0.611 121.004 120.400 -0.012 0.000 2.218 338 K HA -0.182 4.139 4.320 0.002 0.000 0.205 338 K C 1.873 178.499 176.600 0.043 0.000 1.046 338 K CA 1.755 58.048 56.287 0.009 0.000 0.933 338 K CB 0.026 32.504 32.500 -0.038 0.000 0.728 338 K HN 0.346 nan 8.250 nan 0.000 0.454 339 T N 0.266 114.856 114.554 0.060 0.000 2.706 339 T HA -0.164 4.187 4.350 0.002 0.000 0.255 339 T C 1.208 175.984 174.700 0.126 0.000 1.048 339 T CA 0.870 63.012 62.100 0.069 0.000 1.153 339 T CB -0.650 68.257 68.868 0.064 0.000 0.865 339 T HN 0.470 nan 8.240 nan 0.000 0.414 340 W N 2.561 123.863 121.300 0.005 0.000 2.257 340 W HA -0.351 4.310 4.660 0.002 0.000 0.325 340 W C 2.080 178.611 176.519 0.020 0.000 1.296 340 W CA 2.363 59.721 57.345 0.022 0.000 1.297 340 W CB -0.597 28.893 29.460 0.050 0.000 1.131 340 W HN 0.396 nan 8.180 nan 0.000 0.492 341 Q N 0.216 120.125 119.800 0.182 0.000 2.046 341 Q HA -0.212 4.129 4.340 0.002 0.000 0.200 341 Q C 1.842 177.816 176.000 -0.044 0.000 0.975 341 Q CA 2.109 57.942 55.803 0.051 0.000 0.836 341 Q CB -0.489 28.331 28.738 0.136 0.000 0.896 341 Q HN 0.120 nan 8.270 nan 0.000 0.428 342 D N 0.799 121.193 120.400 -0.011 0.000 2.158 342 D HA -0.145 4.496 4.640 0.002 0.000 0.197 342 D C 0.832 177.091 176.300 -0.068 0.000 0.995 342 D CA 1.128 55.112 54.000 -0.027 0.000 0.846 342 D CB -0.417 40.377 40.800 -0.010 0.000 0.941 342 D HN 0.296 nan 8.370 nan 0.000 0.456 343 N N -0.510 118.124 118.700 -0.110 0.000 2.413 343 N HA 0.234 4.975 4.740 0.002 0.000 0.207 343 N C 0.977 176.349 175.510 -0.230 0.000 1.206 343 N CA 0.680 53.637 53.050 -0.154 0.000 0.832 343 N CB 0.521 38.909 38.487 -0.165 0.000 1.037 343 N HN 0.204 nan 8.380 nan 0.000 0.467 344 G N -1.479 107.198 108.800 -0.205 0.000 2.159 344 G HA2 -0.224 3.737 3.960 0.002 0.000 0.256 344 G HA3 -0.224 3.737 3.960 0.002 0.000 0.256 344 G C 0.537 175.249 174.900 -0.314 0.000 0.977 344 G CA -0.041 44.938 45.100 -0.202 0.000 0.652 344 G HN 0.604 nan 8.290 nan 0.000 0.531 345 G N -0.294 108.148 108.800 -0.597 0.000 2.599 345 G HA2 0.715 4.676 3.960 0.002 0.000 0.264 345 G HA3 0.715 4.676 3.960 0.002 0.000 0.264 345 G C 0.311 175.131 174.900 -0.133 0.000 1.200 345 G CA 0.495 45.041 45.100 -0.923 0.000 0.896 345 G HN 1.540 nan 8.290 nan 0.000 0.536 346 A N 0.167 123.187 122.820 0.333 0.000 2.301 346 A HA 0.560 4.881 4.320 0.002 0.000 0.312 346 A C 1.270 179.147 177.584 0.488 0.000 1.182 346 A CA -0.696 51.556 52.037 0.359 0.000 0.826 346 A CB 0.912 20.095 19.000 0.306 0.000 1.134 346 A HN 0.632 nan 8.150 nan 0.000 0.501 347 L N 2.066 123.461 121.223 0.287 0.000 2.093 347 L HA -0.180 4.161 4.340 0.002 0.000 0.208 347 L C 2.771 179.719 176.870 0.129 0.000 1.085 347 L CA 1.604 56.563 54.840 0.198 0.000 0.755 347 L CB -0.441 41.687 42.059 0.114 0.000 0.904 347 L HN 0.844 nan 8.230 nan 0.000 0.435 348 A N -0.123 122.773 122.820 0.126 0.000 2.225 348 A HA -0.160 4.161 4.320 0.002 0.000 0.215 348 A C 1.757 179.459 177.584 0.196 0.000 1.164 348 A CA 1.155 53.250 52.037 0.095 0.000 0.710 348 A CB -0.439 18.592 19.000 0.051 0.000 0.780 348 A HN 0.535 nan 8.150 nan 0.000 0.473 349 E N -1.210 119.122 120.200 0.219 0.000 2.444 349 E HA 0.132 4.483 4.350 0.002 0.000 0.191 349 E C -0.621 175.985 176.600 0.009 0.000 1.041 349 E CA -0.400 56.133 56.400 0.223 0.000 0.883 349 E CB 0.051 29.936 29.700 0.308 0.000 1.024 349 E HN 0.553 nan 8.360 nan 0.000 0.470 350 C N 1.146 120.399 119.300 -0.078 0.000 2.417 350 C HA 0.808 5.269 4.460 0.002 0.000 0.324 350 C C 0.162 174.988 174.990 -0.273 0.000 1.240 350 C CA -0.827 58.075 59.018 -0.194 0.000 1.632 350 C CB 0.915 28.573 27.740 -0.137 0.000 2.241 350 C HN 0.331 nan 8.230 nan 0.000 0.499 351 A N 2.994 125.598 122.820 -0.361 0.000 2.375 351 A HA 0.821 5.142 4.320 0.002 0.000 0.295 351 A C -1.029 176.435 177.584 -0.200 0.000 1.066 351 A CA -0.323 51.389 52.037 -0.541 0.000 0.722 351 A CB 0.406 18.573 19.000 -1.388 0.000 1.206 351 A HN 0.711 nan 8.150 nan 0.000 0.435 352 I N 2.526 123.019 120.570 -0.129 0.000 2.365 352 I HA 0.403 4.574 4.170 0.002 0.000 0.291 352 I C -0.262 175.793 176.117 -0.104 0.000 1.004 352 I CA 0.172 61.470 61.300 -0.003 0.000 1.311 352 I CB 1.161 39.172 38.000 0.019 0.000 1.401 352 I HN 0.509 nan 8.210 nan 0.000 0.491 353 L N 7.437 128.609 121.223 -0.084 0.000 2.365 353 L HA 0.588 4.929 4.340 0.002 0.000 0.273 353 L C -1.088 175.692 176.870 -0.150 0.000 1.000 353 L CA -0.954 53.711 54.840 -0.291 0.000 0.819 353 L CB 1.386 43.334 42.059 -0.184 0.000 1.284 353 L HN 0.515 nan 8.230 nan 0.000 0.418 354 Y N -0.230 120.084 120.300 0.023 0.000 2.605 354 Y HA 0.626 5.177 4.550 0.001 0.000 0.343 354 Y C 0.574 176.455 175.900 -0.032 0.000 1.036 354 Y CA -1.425 56.687 58.100 0.021 0.000 1.065 354 Y CB 1.079 39.543 38.460 0.007 0.000 1.288 354 Y HN 0.365 nan 8.280 nan 0.000 0.481 355 R N 1.178 121.739 120.500 0.102 0.000 2.093 355 R HA 0.123 4.463 4.340 0.002 0.000 0.224 355 R C -0.267 176.025 176.300 -0.014 0.000 1.101 355 R CA 1.254 57.290 56.100 -0.107 0.000 0.979 355 R CB -0.213 29.942 30.300 -0.241 0.000 0.877 355 R HN 0.812 nan 8.270 nan 0.000 0.441 356 S N -1.100 114.656 115.700 0.092 0.000 2.566 356 S HA 0.364 4.835 4.470 0.002 0.000 0.298 356 S C 0.050 174.719 174.600 0.115 0.000 1.083 356 S CA -1.003 57.228 58.200 0.052 0.000 0.978 356 S CB 1.674 64.864 63.200 -0.017 0.000 1.073 356 S HN 0.173 nan 8.310 nan 0.000 0.491 357 N N 1.202 119.943 118.700 0.068 0.000 2.309 357 N HA -0.084 4.657 4.740 0.002 0.000 0.182 357 N C 1.881 177.314 175.510 -0.130 0.000 1.018 357 N CA 1.187 54.253 53.050 0.028 0.000 0.876 357 N CB -0.484 38.038 38.487 0.058 0.000 0.972 357 N HN 0.832 nan 8.380 nan 0.000 0.434 358 A N 1.541 124.308 122.820 -0.087 0.000 2.024 358 A HA -0.184 4.137 4.320 0.002 0.000 0.220 358 A C 2.026 179.502 177.584 -0.180 0.000 1.164 358 A CA 1.183 53.163 52.037 -0.096 0.000 0.643 358 A CB -0.467 18.508 19.000 -0.042 0.000 0.806 358 A HN 0.354 nan 8.150 nan 0.000 0.451 359 Q N -0.022 119.624 119.800 -0.257 0.000 2.500 359 Q HA -0.095 4.246 4.340 0.002 0.000 0.213 359 Q C 2.207 177.878 176.000 -0.548 0.000 0.974 359 Q CA 1.189 56.794 55.803 -0.331 0.000 0.918 359 Q CB -0.181 28.427 28.738 -0.217 0.000 0.980 359 Q HN 0.889 nan 8.270 nan 0.000 0.505 360 S N 0.374 115.649 115.700 -0.709 0.000 2.395 360 S HA -0.147 4.324 4.470 0.002 0.000 0.225 360 S C 1.890 176.308 174.600 -0.303 0.000 1.027 360 S CA 0.453 58.283 58.200 -0.616 0.000 0.965 360 S CB -0.088 62.807 63.200 -0.509 0.000 0.812 360 S HN 0.299 nan 8.310 nan 0.000 0.482 361 R N 1.290 121.662 120.500 -0.214 0.000 2.112 361 R HA -0.118 4.223 4.340 0.002 0.000 0.242 361 R C 2.046 178.257 176.300 -0.147 0.000 1.137 361 R CA 2.318 58.333 56.100 -0.140 0.000 0.944 361 R CB -1.031 29.212 30.300 -0.095 0.000 0.857 361 R HN 0.407 nan 8.270 nan 0.000 0.435 362 V N 0.993 120.819 119.914 -0.146 0.000 2.469 362 V HA -0.250 3.870 4.120 0.002 0.000 0.251 362 V C 2.370 178.378 176.094 -0.143 0.000 1.064 362 V CA 1.815 64.041 62.300 -0.124 0.000 1.066 362 V CB -0.624 31.134 31.823 -0.109 0.000 0.667 362 V HN 0.316 nan 8.190 nan 0.000 0.461 363 L N -0.315 120.797 121.223 -0.185 0.000 2.068 363 L HA -0.069 4.272 4.340 0.002 0.000 0.204 363 L C 2.693 179.383 176.870 -0.300 0.000 1.076 363 L CA 1.372 56.088 54.840 -0.206 0.000 0.753 363 L CB -0.619 41.327 42.059 -0.187 0.000 0.910 363 L HN 0.292 nan 8.230 nan 0.000 0.439 364 E N 0.218 120.196 120.200 -0.371 0.000 2.097 364 E HA -0.296 4.055 4.350 0.002 0.000 0.196 364 E C 2.022 178.400 176.600 -0.371 0.000 1.000 364 E CA 1.526 57.560 56.400 -0.610 0.000 0.804 364 E CB -0.092 29.382 29.700 -0.377 0.000 0.740 364 E HN 0.447 nan 8.360 nan 0.000 0.454 365 E N 0.555 120.636 120.200 -0.198 0.000 2.031 365 E HA -0.209 4.142 4.350 0.002 0.000 0.193 365 E C 2.073 178.606 176.600 -0.113 0.000 0.994 365 E CA 1.217 57.550 56.400 -0.111 0.000 0.800 365 E CB -0.143 29.508 29.700 -0.082 0.000 0.752 365 E HN 0.278 nan 8.360 nan 0.000 0.447 366 A N 0.625 123.366 122.820 -0.132 0.000 1.892 366 A HA -0.233 4.088 4.320 0.002 0.000 0.218 366 A C 2.206 179.715 177.584 -0.127 0.000 1.188 366 A CA 1.471 53.439 52.037 -0.115 0.000 0.631 366 A CB -0.847 18.079 19.000 -0.123 0.000 0.822 366 A HN 0.263 nan 8.150 nan 0.000 0.447 367 L N -0.835 120.272 121.223 -0.194 0.000 2.046 367 L HA -0.182 4.159 4.340 0.002 0.000 0.208 367 L C 2.631 179.462 176.870 -0.065 0.000 1.077 367 L CA 0.965 55.703 54.840 -0.171 0.000 0.747 367 L CB -0.441 41.419 42.059 -0.332 0.000 0.896 367 L HN 0.421 nan 8.230 nan 0.000 0.432 368 L N -0.841 120.348 121.223 -0.057 0.000 1.943 368 L HA -0.293 4.048 4.340 0.002 0.000 0.215 368 L C 2.615 179.489 176.870 0.007 0.000 1.074 368 L CA 1.432 56.293 54.840 0.035 0.000 0.759 368 L CB -0.633 41.453 42.059 0.045 0.000 0.888 368 L HN 0.275 nan 8.230 nan 0.000 0.433 369 Q N 0.360 120.150 119.800 -0.016 0.000 2.362 369 Q HA -0.264 4.077 4.340 0.002 0.000 0.216 369 Q C 1.156 177.147 176.000 -0.014 0.000 1.002 369 Q CA 2.134 57.927 55.803 -0.016 0.000 0.937 369 Q CB -0.228 28.494 28.738 -0.028 0.000 0.937 369 Q HN 0.509 nan 8.270 nan 0.000 0.424 370 A N -1.579 121.231 122.820 -0.018 0.000 2.630 370 A HA 0.445 4.766 4.320 0.002 0.000 0.290 370 A C 0.383 177.968 177.584 0.002 0.000 1.267 370 A CA 0.346 52.374 52.037 -0.015 0.000 0.950 370 A CB 0.142 19.122 19.000 -0.032 0.000 1.144 370 A HN 0.186 nan 8.150 nan 0.000 0.527 371 S N -0.141 115.568 115.700 0.015 0.000 3.521 371 S HA -0.151 4.320 4.470 0.002 0.000 0.362 371 S C 0.256 174.878 174.600 0.036 0.000 1.044 371 S CA 0.959 59.175 58.200 0.027 0.000 1.091 371 S CB -1.315 61.895 63.200 0.018 0.000 0.908 371 S HN 0.635 nan 8.310 nan 0.000 0.473 372 M N 2.141 121.770 119.600 0.047 0.000 2.063 372 M HA 0.256 4.736 4.480 0.002 0.000 0.348 372 M C -2.127 174.253 176.300 0.132 0.000 1.180 372 M CA -1.827 53.508 55.300 0.059 0.000 1.059 372 M CB 0.987 33.600 32.600 0.022 0.000 1.544 372 M HN -0.007 nan 8.290 nan 0.000 0.447 373 P HA 0.267 nan 4.420 nan 0.000 0.275 373 P C -1.729 175.667 177.300 0.161 0.000 1.228 373 P CA 0.149 63.301 63.100 0.087 0.000 0.786 373 P CB 0.553 32.259 31.700 0.010 0.000 0.927 374 Y N -0.682 119.601 120.300 -0.028 0.000 2.624 374 Y HA 0.659 5.209 4.550 0.001 0.000 0.334 374 Y C -1.178 174.716 175.900 -0.011 0.000 1.155 374 Y CA -1.415 56.670 58.100 -0.026 0.000 1.046 374 Y CB 1.452 39.899 38.460 -0.022 0.000 1.316 374 Y HN 0.506 nan 8.280 nan 0.000 0.457 375 R N 2.719 123.268 120.500 0.081 0.000 2.628 375 R HA 0.787 5.128 4.340 0.002 0.000 0.288 375 R C -1.909 174.541 176.300 0.249 0.000 0.980 375 R CA -0.876 55.239 56.100 0.025 0.000 0.891 375 R CB 2.231 32.532 30.300 0.002 0.000 1.188 375 R HN 0.790 nan 8.270 nan 0.000 0.450 376 I N 3.303 124.009 120.570 0.227 0.000 2.312 376 I HA 0.181 4.352 4.170 0.002 0.000 0.290 376 I C -0.101 176.168 176.117 0.253 0.000 1.008 376 I CA -1.031 60.446 61.300 0.294 0.000 1.226 376 I CB 1.048 39.212 38.000 0.275 0.000 1.371 376 I HN 0.662 nan 8.210 nan 0.000 0.468 377 Y N 5.065 125.424 120.300 0.097 0.000 2.621 377 Y HA 0.035 4.585 4.550 0.001 0.000 0.330 377 Y C 1.611 177.563 175.900 0.087 0.000 1.219 377 Y CA 0.003 58.150 58.100 0.079 0.000 1.286 377 Y CB -0.568 37.935 38.460 0.071 0.000 1.053 377 Y HN 0.686 nan 8.280 nan 0.000 0.498 378 G N -0.664 108.238 108.800 0.170 0.000 3.152 378 G HA2 0.465 4.426 3.960 0.002 0.000 0.157 378 G HA3 0.465 4.426 3.960 0.002 0.000 0.157 378 G C 0.071 175.002 174.900 0.052 0.000 1.786 378 G CA 0.189 45.364 45.100 0.125 0.000 1.055 378 G HN 0.505 nan 8.290 nan 0.000 0.528 379 G N -1.947 106.878 108.800 0.042 0.000 2.931 379 G HA2 0.376 4.337 3.960 0.002 0.000 0.675 379 G HA3 0.376 4.337 3.960 0.002 0.000 0.675 379 G C -0.683 174.227 174.900 0.016 0.000 1.339 379 G CA -0.020 45.086 45.100 0.011 0.000 0.866 379 G HN 0.848 nan 8.290 nan 0.000 0.616 380 M N 2.410 122.016 119.600 0.010 0.000 2.185 380 M HA 0.584 5.065 4.480 0.002 0.000 0.357 380 M C 0.635 176.941 176.300 0.010 0.000 1.260 380 M CA -0.495 54.812 55.300 0.011 0.000 1.124 380 M CB 0.404 33.005 32.600 0.002 0.000 1.600 380 M HN 0.518 nan 8.290 nan 0.000 0.467 381 R N 3.435 123.947 120.500 0.020 0.000 2.312 381 R HA 0.205 4.546 4.340 0.002 0.000 0.311 381 R C 0.604 176.924 176.300 0.032 0.000 1.004 381 R CA -0.418 55.702 56.100 0.033 0.000 0.902 381 R CB 0.620 30.947 30.300 0.045 0.000 1.073 381 R HN 0.871 nan 8.270 nan 0.000 0.457 382 F N 2.636 122.495 119.950 -0.152 0.000 2.060 382 F HA -0.352 4.175 4.527 0.001 0.000 0.293 382 F C 1.093 176.760 175.800 -0.221 0.000 1.096 382 F CA 1.976 59.818 58.000 -0.263 0.000 1.241 382 F CB -0.211 38.493 39.000 -0.493 0.000 0.959 382 F HN 0.555 nan 8.300 nan 0.000 0.499 383 F N 0.076 120.083 119.950 0.094 0.000 2.754 383 F HA 0.023 4.551 4.527 0.002 0.000 0.303 383 F C 1.587 177.359 175.800 -0.047 0.000 1.196 383 F CA 0.230 58.224 58.000 -0.011 0.000 1.416 383 F CB -0.267 38.772 39.000 0.065 0.000 1.092 383 F HN 0.174 nan 8.300 nan 0.000 0.541 384 E N -0.569 119.667 120.200 0.059 0.000 2.421 384 E HA 0.107 4.458 4.350 0.002 0.000 0.209 384 E C 0.513 177.101 176.600 -0.020 0.000 0.871 384 E CA -0.317 56.108 56.400 0.042 0.000 1.064 384 E CB 0.348 30.077 29.700 0.050 0.000 1.075 384 E HN 0.240 nan 8.360 nan 0.000 0.513 385 R N 2.547 122.988 120.500 -0.100 0.000 2.566 385 R HA -0.126 4.215 4.340 0.002 0.000 0.273 385 R C 1.574 177.813 176.300 -0.102 0.000 0.981 385 R CA 0.430 56.452 56.100 -0.130 0.000 1.091 385 R CB 0.171 30.321 30.300 -0.251 0.000 0.924 385 R HN 0.334 nan 8.270 nan 0.000 0.411 386 Q N 2.795 122.562 119.800 -0.056 0.000 2.096 386 Q HA -0.243 4.098 4.340 0.002 0.000 0.204 386 Q C 1.298 177.281 176.000 -0.029 0.000 0.982 386 Q CA 1.815 57.616 55.803 -0.004 0.000 0.850 386 Q CB -0.139 28.635 28.738 0.060 0.000 0.901 386 Q HN 0.724 nan 8.270 nan 0.000 0.422 387 E N 0.472 120.555 120.200 -0.195 0.000 2.409 387 E HA -0.153 4.198 4.350 0.002 0.000 0.198 387 E C 1.511 177.988 176.600 -0.205 0.000 1.024 387 E CA 0.762 56.931 56.400 -0.385 0.000 0.861 387 E CB -0.034 29.073 29.700 -0.987 0.000 0.788 387 E HN 0.469 nan 8.360 nan 0.000 0.521 388 I N 1.396 121.857 120.570 -0.181 0.000 2.731 388 I HA -0.059 4.112 4.170 0.002 0.000 0.260 388 I C 2.256 178.387 176.117 0.023 0.000 1.138 388 I CA 0.718 61.948 61.300 -0.117 0.000 1.461 388 I CB -0.103 37.724 38.000 -0.289 0.000 1.128 388 I HN -0.053 nan 8.210 nan 0.000 0.438 389 K N 0.344 120.759 120.400 0.025 0.000 2.097 389 K HA -0.152 4.169 4.320 0.002 0.000 0.205 389 K C 1.565 178.217 176.600 0.087 0.000 1.050 389 K CA 1.378 57.701 56.287 0.061 0.000 0.938 389 K CB -0.241 32.287 32.500 0.047 0.000 0.718 389 K HN 0.218 nan 8.250 nan 0.000 0.442 390 D N 1.148 121.611 120.400 0.104 0.000 2.137 390 D HA -0.198 4.443 4.640 0.002 0.000 0.193 390 D C 1.939 178.386 176.300 0.245 0.000 0.993 390 D CA 1.827 55.937 54.000 0.183 0.000 0.846 390 D CB -0.561 40.389 40.800 0.251 0.000 0.990 390 D HN 0.163 nan 8.370 nan 0.000 0.448 391 A N 0.785 123.722 122.820 0.194 0.000 1.896 391 A HA -0.229 4.092 4.320 0.002 0.000 0.220 391 A C 2.479 180.175 177.584 0.187 0.000 1.206 391 A CA 1.732 53.877 52.037 0.180 0.000 0.647 391 A CB -1.114 17.937 19.000 0.086 0.000 0.828 391 A HN 0.312 nan 8.150 nan 0.000 0.455 392 L N -0.569 120.739 121.223 0.141 0.000 2.191 392 L HA -0.161 4.180 4.340 0.002 0.000 0.212 392 L C 2.767 179.696 176.870 0.099 0.000 1.103 392 L CA 1.318 56.226 54.840 0.114 0.000 0.769 392 L CB -0.473 41.649 42.059 0.104 0.000 0.908 392 L HN 0.361 nan 8.230 nan 0.000 0.438 393 S N -1.183 114.580 115.700 0.105 0.000 2.383 393 S HA -0.161 4.310 4.470 0.002 0.000 0.227 393 S C 1.852 176.463 174.600 0.018 0.000 1.026 393 S CA 1.096 59.319 58.200 0.039 0.000 0.981 393 S CB -0.244 62.951 63.200 -0.009 0.000 0.818 393 S HN 0.343 nan 8.310 nan 0.000 0.472 394 Y N 1.785 122.118 120.300 0.055 0.000 2.200 394 Y HA -0.003 4.548 4.550 0.002 0.000 0.290 394 Y C 2.125 178.027 175.900 0.003 0.000 1.137 394 Y CA 0.827 58.957 58.100 0.050 0.000 1.163 394 Y CB -0.494 37.997 38.460 0.051 0.000 0.988 394 Y HN 0.156 nan 8.280 nan 0.000 0.518 395 L N -0.504 120.808 121.223 0.149 0.000 2.079 395 L HA -0.264 4.077 4.340 0.002 0.000 0.210 395 L C 2.518 179.391 176.870 0.005 0.000 1.081 395 L CA 1.330 56.198 54.840 0.046 0.000 0.752 395 L CB -0.528 41.537 42.059 0.010 0.000 0.896 395 L HN 0.232 nan 8.230 nan 0.000 0.433 396 R N 0.209 120.715 120.500 0.010 0.000 2.070 396 R HA -0.143 4.198 4.340 0.002 0.000 0.233 396 R C 2.287 178.558 176.300 -0.049 0.000 1.137 396 R CA 1.244 57.333 56.100 -0.019 0.000 0.945 396 R CB -0.688 29.608 30.300 -0.007 0.000 0.845 396 R HN 0.341 nan 8.270 nan 0.000 0.430 397 L N 0.820 122.014 121.223 -0.047 0.000 2.189 397 L HA -0.201 4.140 4.340 0.002 0.000 0.214 397 L C 2.376 179.143 176.870 -0.172 0.000 1.097 397 L CA 1.160 55.935 54.840 -0.107 0.000 0.764 397 L CB -0.371 41.639 42.059 -0.080 0.000 0.900 397 L HN 0.233 nan 8.230 nan 0.000 0.436 398 I N -0.930 119.578 120.570 -0.103 0.000 2.500 398 I HA -0.170 4.001 4.170 0.002 0.000 0.252 398 I C 2.612 178.661 176.117 -0.114 0.000 1.142 398 I CA 1.007 62.242 61.300 -0.107 0.000 1.451 398 I CB -0.431 37.535 38.000 -0.056 0.000 1.093 398 I HN 0.162 nan 8.210 nan 0.000 0.430 399 V N 0.386 120.242 119.914 -0.097 0.000 2.407 399 V HA -0.071 4.050 4.120 0.002 0.000 0.245 399 V C 0.873 176.898 176.094 -0.115 0.000 1.041 399 V CA 1.826 64.070 62.300 -0.093 0.000 1.040 399 V CB -0.265 31.511 31.823 -0.078 0.000 0.671 399 V HN 0.458 nan 8.190 nan 0.000 0.455 400 N N -0.786 117.835 118.700 -0.133 0.000 2.478 400 N HA 0.295 5.036 4.740 0.002 0.000 0.291 400 N C 0.404 175.775 175.510 -0.232 0.000 1.090 400 N CA -0.635 52.318 53.050 -0.161 0.000 0.911 400 N CB 1.355 39.778 38.487 -0.106 0.000 1.546 400 N HN 0.124 nan 8.380 nan 0.000 0.500 401 R N 1.837 122.101 120.500 -0.392 0.000 2.328 401 R HA 0.094 4.435 4.340 0.002 0.000 0.207 401 R C -0.095 176.001 176.300 -0.338 0.000 1.056 401 R CA 0.400 56.109 56.100 -0.652 0.000 1.016 401 R CB -0.305 29.120 30.300 -1.457 0.000 0.872 401 R HN 0.565 nan 8.270 nan 0.000 0.471 402 N N 1.165 119.754 118.700 -0.185 0.000 2.314 402 N HA -0.057 4.683 4.740 0.002 0.000 0.200 402 N C -0.078 175.408 175.510 -0.039 0.000 1.135 402 N CA 0.108 53.109 53.050 -0.081 0.000 0.835 402 N CB 0.232 38.682 38.487 -0.061 0.000 0.989 402 N HN 0.082 nan 8.380 nan 0.000 0.478 403 D N 1.578 121.966 120.400 -0.020 0.000 2.489 403 D HA -0.012 4.628 4.640 0.002 0.000 0.237 403 D C 0.338 176.687 176.300 0.082 0.000 1.212 403 D CA -0.077 53.934 54.000 0.017 0.000 1.058 403 D CB 0.279 41.087 40.800 0.014 0.000 1.098 403 D HN -0.009 nan 8.370 nan 0.000 0.509 404 D N 1.891 122.318 120.400 0.046 0.000 2.203 404 D HA -0.202 4.439 4.640 0.002 0.000 0.199 404 D C 1.814 178.201 176.300 0.147 0.000 0.997 404 D CA 1.422 55.468 54.000 0.076 0.000 0.863 404 D CB 0.276 41.086 40.800 0.016 0.000 0.928 404 D HN 0.520 nan 8.370 nan 0.000 0.458 405 A N 0.327 123.203 122.820 0.092 0.000 1.854 405 A HA 0.110 4.431 4.320 0.002 0.000 0.214 405 A C 2.281 179.919 177.584 0.089 0.000 1.192 405 A CA 1.864 53.949 52.037 0.081 0.000 0.611 405 A CB -0.905 18.119 19.000 0.041 0.000 0.832 405 A HN 0.223 nan 8.150 nan 0.000 0.442 406 A N -0.782 122.087 122.820 0.082 0.000 1.865 406 A HA -0.064 4.257 4.320 0.002 0.000 0.217 406 A C 2.011 179.649 177.584 0.090 0.000 1.191 406 A CA 1.691 53.762 52.037 0.057 0.000 0.623 406 A CB -0.882 18.142 19.000 0.040 0.000 0.826 406 A HN 0.626 nan 8.150 nan 0.000 0.444 407 F N 0.606 120.575 119.950 0.032 0.000 2.005 407 F HA -0.260 4.268 4.527 0.002 0.000 0.297 407 F C 2.312 178.122 175.800 0.016 0.000 1.175 407 F CA 2.530 60.589 58.000 0.098 0.000 1.192 407 F CB -0.464 38.629 39.000 0.155 0.000 0.953 407 F HN 0.315 nan 8.300 nan 0.000 0.504 408 E N 0.142 120.531 120.200 0.316 0.000 2.352 408 E HA -0.302 4.049 4.350 0.002 0.000 0.203 408 E C 2.305 178.883 176.600 -0.037 0.000 1.024 408 E CA 1.294 57.770 56.400 0.126 0.000 0.842 408 E CB -0.251 29.553 29.700 0.174 0.000 0.753 408 E HN 0.446 nan 8.360 nan 0.000 0.508 409 R N -0.059 120.411 120.500 -0.049 0.000 2.048 409 R HA -0.069 4.272 4.340 0.002 0.000 0.221 409 R C 2.468 178.678 176.300 -0.150 0.000 1.174 409 R CA 1.317 57.376 56.100 -0.068 0.000 0.971 409 R CB -0.063 30.224 30.300 -0.023 0.000 0.863 409 R HN 0.145 nan 8.270 nan 0.000 0.439 410 V N -0.668 119.104 119.914 -0.236 0.000 3.306 410 V HA -0.014 4.107 4.120 0.002 0.000 0.264 410 V C 2.112 177.909 176.094 -0.495 0.000 1.149 410 V CA 1.096 63.198 62.300 -0.330 0.000 1.143 410 V CB -0.214 31.165 31.823 -0.740 0.000 0.767 410 V HN 0.225 nan 8.190 nan 0.000 0.476 411 V N 2.203 121.670 119.914 -0.745 0.000 2.252 411 V HA -0.354 3.766 4.120 0.002 0.000 0.255 411 V C 2.017 177.546 176.094 -0.943 0.000 1.071 411 V CA 3.113 64.589 62.300 -1.373 0.000 1.050 411 V CB -0.657 30.417 31.823 -1.248 0.000 0.654 411 V HN 0.789 nan 8.190 nan 0.000 0.448 412 N N -0.031 118.372 118.700 -0.495 0.000 2.338 412 N HA 0.134 4.875 4.740 0.002 0.000 0.251 412 N C -0.483 174.927 175.510 -0.167 0.000 1.199 412 N CA 0.584 53.458 53.050 -0.294 0.000 0.879 412 N CB 0.166 38.521 38.487 -0.220 0.000 1.159 412 N HN 0.795 nan 8.380 nan 0.000 0.514 413 T N -1.765 112.710 114.554 -0.132 0.000 3.031 413 T HA 0.510 4.861 4.350 0.002 0.000 0.305 413 T C -3.093 171.654 174.700 0.078 0.000 0.985 413 T CA -1.796 60.279 62.100 -0.042 0.000 1.008 413 T CB 2.133 70.980 68.868 -0.035 0.000 1.005 413 T HN -0.182 nan 8.240 nan 0.000 0.444 414 P HA 0.126 nan 4.420 nan 0.000 0.267 414 P C 0.573 177.850 177.300 -0.037 0.000 1.201 414 P CA 0.005 63.089 63.100 -0.026 0.000 0.775 414 P CB 0.195 31.879 31.700 -0.027 0.000 0.854 415 T N 0.072 114.592 114.554 -0.058 0.000 2.933 415 T HA 0.066 4.417 4.350 0.002 0.000 0.306 415 T C 0.732 175.404 174.700 -0.046 0.000 1.045 415 T CA -0.045 62.018 62.100 -0.062 0.000 1.143 415 T CB 0.278 69.113 68.868 -0.055 0.000 1.003 415 T HN 0.379 nan 8.240 nan 0.000 0.540 416 R N 1.290 121.756 120.500 -0.058 0.000 2.531 416 R HA 0.366 4.707 4.340 0.002 0.000 0.316 416 R C 1.748 178.029 176.300 -0.031 0.000 0.955 416 R CA 0.151 56.233 56.100 -0.031 0.000 1.120 416 R CB 0.741 31.026 30.300 -0.025 0.000 1.361 416 R HN 1.014 nan 8.270 nan 0.000 0.534 417 G N 1.421 110.194 108.800 -0.045 0.000 2.213 417 G HA2 -0.231 3.730 3.960 0.002 0.000 0.226 417 G HA3 -0.231 3.730 3.960 0.002 0.000 0.226 417 G C 0.205 175.078 174.900 -0.045 0.000 0.992 417 G CA -0.389 44.690 45.100 -0.035 0.000 0.632 417 G HN 0.126 nan 8.290 nan 0.000 0.511 418 I N 3.672 124.198 120.570 -0.073 0.000 2.566 418 I HA 0.409 4.580 4.170 0.002 0.000 0.286 418 I C 1.819 177.890 176.117 -0.078 0.000 1.060 418 I CA 0.429 61.679 61.300 -0.084 0.000 2.222 418 I CB -0.475 37.431 38.000 -0.157 0.000 1.534 418 I HN 0.321 nan 8.210 nan 0.000 0.987 419 G N 1.487 110.257 108.800 -0.051 0.000 2.846 419 G HA2 -0.149 3.812 3.960 0.002 0.000 0.257 419 G HA3 -0.149 3.812 3.960 0.002 0.000 0.257 419 G C 0.946 175.825 174.900 -0.035 0.000 1.253 419 G CA -0.129 44.947 45.100 -0.041 0.000 0.918 419 G HN 0.458 nan 8.290 nan 0.000 0.597 420 D N -0.382 120.002 120.400 -0.026 0.000 2.077 420 D HA -0.094 4.547 4.640 0.002 0.000 0.196 420 D C 2.656 178.952 176.300 -0.007 0.000 0.986 420 D CA 0.783 54.774 54.000 -0.016 0.000 0.829 420 D CB -0.094 40.699 40.800 -0.011 0.000 0.983 420 D HN 0.449 nan 8.370 nan 0.000 0.453 421 R N -0.314 120.183 120.500 -0.006 0.000 2.165 421 R HA -0.164 4.177 4.340 0.002 0.000 0.254 421 R C 2.405 178.705 176.300 0.001 0.000 1.153 421 R CA 1.995 58.094 56.100 -0.002 0.000 0.971 421 R CB -0.701 29.597 30.300 -0.003 0.000 0.878 421 R HN 0.233 nan 8.270 nan 0.000 0.449 422 T N 1.311 115.863 114.554 -0.002 0.000 2.788 422 T HA -0.084 4.267 4.350 0.002 0.000 0.268 422 T C 1.843 176.551 174.700 0.014 0.000 1.044 422 T CA 1.075 63.176 62.100 0.002 0.000 1.139 422 T CB -0.083 68.782 68.868 -0.005 0.000 0.867 422 T HN 0.157 nan 8.240 nan 0.000 0.454 423 L N 0.845 122.076 121.223 0.014 0.000 2.072 423 L HA -0.065 4.276 4.340 0.002 0.000 0.205 423 L C 2.461 179.355 176.870 0.039 0.000 1.079 423 L CA 1.058 55.921 54.840 0.038 0.000 0.752 423 L CB -0.585 41.493 42.059 0.032 0.000 0.906 423 L HN 0.182 nan 8.230 nan 0.000 0.436 424 D N -0.062 120.353 120.400 0.025 0.000 2.228 424 D HA -0.170 4.471 4.640 0.002 0.000 0.203 424 D C 2.197 178.509 176.300 0.020 0.000 0.988 424 D CA 1.263 55.277 54.000 0.022 0.000 0.864 424 D CB 0.013 40.822 40.800 0.015 0.000 0.928 424 D HN 0.208 nan 8.370 nan 0.000 0.469 425 V N 0.861 120.786 119.914 0.018 0.000 2.273 425 V HA -0.183 3.938 4.120 0.002 0.000 0.242 425 V C 2.749 178.852 176.094 0.016 0.000 1.035 425 V CA 0.937 63.245 62.300 0.013 0.000 1.013 425 V CB -0.476 31.353 31.823 0.009 0.000 0.652 425 V HN 0.034 nan 8.190 nan 0.000 0.452 426 V N 0.219 120.150 119.914 0.028 0.000 2.392 426 V HA -0.265 3.856 4.120 0.002 0.000 0.249 426 V C 2.547 178.657 176.094 0.026 0.000 1.059 426 V CA 1.961 64.280 62.300 0.032 0.000 1.051 426 V CB -0.995 30.876 31.823 0.081 0.000 0.658 426 V HN 0.459 nan 8.190 nan 0.000 0.455 427 R N -0.131 120.393 120.500 0.040 0.000 2.075 427 R HA -0.218 4.123 4.340 0.002 0.000 0.230 427 R C 2.503 178.814 176.300 0.018 0.000 1.140 427 R CA 2.033 58.155 56.100 0.035 0.000 0.928 427 R CB -0.574 29.751 30.300 0.043 0.000 0.834 427 R HN 0.574 nan 8.270 nan 0.000 0.429 428 Q N 0.391 120.200 119.800 0.016 0.000 2.014 428 Q HA -0.192 4.149 4.340 0.002 0.000 0.207 428 Q C 1.882 177.884 176.000 0.002 0.000 0.993 428 Q CA 2.457 58.265 55.803 0.009 0.000 0.850 428 Q CB -0.190 28.552 28.738 0.007 0.000 0.916 428 Q HN 0.289 nan 8.270 nan 0.000 0.417 429 T N 0.285 114.839 114.554 0.000 0.000 2.714 429 T HA -0.217 4.134 4.350 0.002 0.000 0.268 429 T C 1.931 176.625 174.700 -0.010 0.000 1.036 429 T CA 1.580 63.677 62.100 -0.006 0.000 1.148 429 T CB -0.375 68.488 68.868 -0.010 0.000 0.856 429 T HN 0.251 nan 8.240 nan 0.000 0.462 430 S N -0.221 115.472 115.700 -0.012 0.000 2.368 430 S HA -0.035 4.436 4.470 0.002 0.000 0.224 430 S C 2.110 176.705 174.600 -0.009 0.000 1.029 430 S CA 1.136 59.325 58.200 -0.018 0.000 0.988 430 S CB -0.138 63.047 63.200 -0.025 0.000 0.838 430 S HN 0.490 nan 8.310 nan 0.000 0.462 431 R N 1.130 121.629 120.500 -0.001 0.000 2.075 431 R HA -0.118 4.223 4.340 0.002 0.000 0.230 431 R C 1.676 177.976 176.300 0.000 0.000 1.140 431 R CA 2.213 58.315 56.100 0.003 0.000 0.928 431 R CB -0.549 29.756 30.300 0.007 0.000 0.834 431 R HN 0.297 nan 8.270 nan 0.000 0.429 432 D N 0.212 120.611 120.400 -0.001 0.000 2.133 432 D HA -0.189 4.452 4.640 0.002 0.000 0.195 432 D C 1.781 178.079 176.300 -0.003 0.000 0.997 432 D CA 1.488 55.487 54.000 -0.002 0.000 0.840 432 D CB -0.218 40.580 40.800 -0.003 0.000 0.947 432 D HN 0.418 nan 8.370 nan 0.000 0.452 433 R N 0.187 120.684 120.500 -0.005 0.000 2.317 433 R HA 0.121 4.462 4.340 0.002 0.000 0.208 433 R C 0.030 176.327 176.300 -0.006 0.000 0.914 433 R CA -0.070 56.026 56.100 -0.006 0.000 1.060 433 R CB 0.128 30.423 30.300 -0.008 0.000 1.015 433 R HN 0.192 nan 8.270 nan 0.000 0.498 434 Q N 0.804 120.600 119.800 -0.006 0.000 2.455 434 Q HA -0.173 4.168 4.340 0.002 0.000 0.343 434 Q C -1.008 174.987 176.000 -0.009 0.000 1.458 434 Q CA 0.579 56.378 55.803 -0.006 0.000 0.923 434 Q CB -1.670 27.066 28.738 -0.003 0.000 1.149 434 Q HN 0.365 nan 8.270 nan 0.000 0.357 435 L N -0.300 120.914 121.223 -0.015 0.000 2.359 435 L HA 0.586 4.927 4.340 0.002 0.000 0.256 435 L C 0.905 177.755 176.870 -0.033 0.000 1.026 435 L CA -0.936 53.892 54.840 -0.019 0.000 0.828 435 L CB 2.006 44.054 42.059 -0.019 0.000 1.406 435 L HN 0.328 nan 8.230 nan 0.000 0.413 436 T N -2.009 112.525 114.554 -0.034 0.000 2.813 436 T HA 0.289 4.640 4.350 0.002 0.000 0.297 436 T C 1.257 175.881 174.700 -0.127 0.000 1.036 436 T CA -0.619 61.443 62.100 -0.063 0.000 1.044 436 T CB 0.743 69.589 68.868 -0.036 0.000 0.993 436 T HN 0.465 nan 8.240 nan 0.000 0.535 437 L N -0.249 120.820 121.223 -0.258 0.000 2.131 437 L HA -0.027 4.314 4.340 0.002 0.000 0.210 437 L C 2.531 179.054 176.870 -0.577 0.000 1.092 437 L CA 1.256 55.808 54.840 -0.481 0.000 0.759 437 L CB -0.465 41.104 42.059 -0.816 0.000 0.903 437 L HN 0.764 nan 8.230 nan 0.000 0.435 438 W N 1.291 122.183 121.300 -0.680 0.000 2.418 438 W HA -0.155 4.506 4.660 0.001 0.000 0.292 438 W C 2.231 178.653 176.519 -0.162 0.000 1.213 438 W CA 1.306 58.435 57.345 -0.360 0.000 1.283 438 W CB -0.087 29.261 29.460 -0.187 0.000 1.119 438 W HN 0.268 nan 8.180 nan 0.000 0.542 439 Q N 0.441 120.284 119.800 0.071 0.000 1.993 439 Q HA -0.171 4.170 4.340 0.002 0.000 0.202 439 Q C 2.515 178.482 176.000 -0.055 0.000 0.984 439 Q CA 2.370 58.191 55.803 0.031 0.000 0.837 439 Q CB -0.738 28.017 28.738 0.030 0.000 0.902 439 Q HN 0.184 nan 8.270 nan 0.000 0.423 440 A N -0.328 122.450 122.820 -0.072 0.000 2.186 440 A HA -0.201 4.120 4.320 0.002 0.000 0.219 440 A C 2.089 179.623 177.584 -0.083 0.000 1.159 440 A CA 1.206 53.203 52.037 -0.067 0.000 0.680 440 A CB -0.730 18.234 19.000 -0.060 0.000 0.787 440 A HN 0.495 nan 8.150 nan 0.000 0.467 441 C N -1.802 117.415 119.300 -0.138 0.000 2.564 441 C HA 0.065 4.526 4.460 0.002 0.000 0.281 441 C C 2.714 177.598 174.990 -0.177 0.000 1.314 441 C CA 0.383 59.308 59.018 -0.155 0.000 1.706 441 C CB -0.852 26.754 27.740 -0.223 0.000 2.109 441 C HN 0.609 nan 8.230 nan 0.000 0.502 442 R N 1.126 121.482 120.500 -0.239 0.000 2.159 442 R HA -0.212 4.129 4.340 0.002 0.000 0.252 442 R C 1.880 178.124 176.300 -0.094 0.000 1.144 442 R CA 1.877 57.875 56.100 -0.171 0.000 0.961 442 R CB -0.657 29.579 30.300 -0.106 0.000 0.877 442 R HN 0.696 nan 8.270 nan 0.000 0.444 443 E N 0.244 120.401 120.200 -0.072 0.000 2.006 443 E HA -0.102 4.249 4.350 0.002 0.000 0.192 443 E C 2.224 178.798 176.600 -0.042 0.000 0.993 443 E CA 0.844 57.217 56.400 -0.045 0.000 0.808 443 E CB -0.183 29.498 29.700 -0.033 0.000 0.764 443 E HN 0.217 nan 8.360 nan 0.000 0.449 444 L N 1.049 122.246 121.223 -0.043 0.000 2.089 444 L HA -0.256 4.085 4.340 0.002 0.000 0.213 444 L C 2.526 179.375 176.870 -0.034 0.000 1.079 444 L CA 0.955 55.775 54.840 -0.032 0.000 0.758 444 L CB -0.444 41.599 42.059 -0.027 0.000 0.891 444 L HN 0.255 nan 8.230 nan 0.000 0.433 445 L N -0.747 120.446 121.223 -0.050 0.000 2.072 445 L HA -0.198 4.143 4.340 0.002 0.000 0.205 445 L C 2.746 179.595 176.870 -0.037 0.000 1.079 445 L CA 1.214 56.026 54.840 -0.047 0.000 0.752 445 L CB -0.465 41.552 42.059 -0.069 0.000 0.906 445 L HN 0.455 nan 8.230 nan 0.000 0.436 446 Q N 0.993 120.770 119.800 -0.038 0.000 1.965 446 Q HA -0.245 4.096 4.340 0.002 0.000 0.200 446 Q C 1.556 177.544 176.000 -0.019 0.000 0.981 446 Q CA 1.747 57.534 55.803 -0.027 0.000 0.834 446 Q CB -0.188 28.534 28.738 -0.025 0.000 0.900 446 Q HN 0.510 nan 8.270 nan 0.000 0.426 447 E N 0.608 120.797 120.200 -0.019 0.000 2.501 447 E HA -0.140 4.210 4.350 0.002 0.000 0.203 447 E C 0.013 176.606 176.600 -0.013 0.000 1.072 447 E CA 0.305 56.696 56.400 -0.014 0.000 0.885 447 E CB -0.094 29.597 29.700 -0.014 0.000 0.813 447 E HN 0.219 nan 8.360 nan 0.000 0.556 448 K N -1.014 119.377 120.400 -0.015 0.000 3.012 448 K HA -0.261 4.060 4.320 0.002 0.000 0.259 448 K C 0.381 176.975 176.600 -0.011 0.000 0.989 448 K CA 0.608 56.887 56.287 -0.013 0.000 0.728 448 K CB -1.415 31.079 32.500 -0.010 0.000 1.260 448 K HN 0.330 nan 8.250 nan 0.000 0.480 449 A N -0.410 122.402 122.820 -0.012 0.000 2.307 449 A HA 0.281 4.602 4.320 0.002 0.000 0.218 449 A C 0.385 177.964 177.584 -0.008 0.000 1.228 449 A CA 0.044 52.076 52.037 -0.009 0.000 0.857 449 A CB 0.250 19.244 19.000 -0.010 0.000 0.897 449 A HN 0.235 nan 8.150 nan 0.000 0.495 450 L N -0.467 120.751 121.223 -0.009 0.000 2.330 450 L HA 0.645 4.986 4.340 0.002 0.000 0.271 450 L C 0.801 177.667 176.870 -0.006 0.000 1.013 450 L CA -1.018 53.818 54.840 -0.007 0.000 0.816 450 L CB 1.703 43.758 42.059 -0.008 0.000 1.287 450 L HN 0.226 nan 8.230 nan 0.000 0.435 451 A N 1.305 124.122 122.820 -0.005 0.000 2.455 451 A HA 0.276 4.597 4.320 0.002 0.000 0.244 451 A C 1.280 178.861 177.584 -0.004 0.000 1.099 451 A CA 0.594 52.629 52.037 -0.004 0.000 0.786 451 A CB -0.136 18.862 19.000 -0.004 0.000 1.051 451 A HN 0.975 nan 8.150 nan 0.000 0.508 452 G N -0.175 108.622 108.800 -0.004 0.000 2.511 452 G HA2 -0.217 3.744 3.960 0.002 0.000 0.216 452 G HA3 -0.217 3.744 3.960 0.002 0.000 0.216 452 G C 1.579 176.478 174.900 -0.002 0.000 1.218 452 G CA 1.219 46.317 45.100 -0.003 0.000 0.788 452 G HN 0.812 nan 8.290 nan 0.000 0.560 453 R N 0.638 121.137 120.500 -0.002 0.000 2.132 453 R HA -0.124 4.217 4.340 0.002 0.000 0.233 453 R C 3.067 179.366 176.300 -0.002 0.000 1.125 453 R CA 1.534 57.633 56.100 -0.002 0.000 0.914 453 R CB -0.866 29.432 30.300 -0.004 0.000 0.845 453 R HN 0.333 nan 8.270 nan 0.000 0.431 454 A N 1.310 124.128 122.820 -0.003 0.000 1.882 454 A HA -0.321 4.000 4.320 0.002 0.000 0.220 454 A C 2.449 180.033 177.584 0.000 0.000 1.253 454 A CA 2.603 54.639 52.037 -0.003 0.000 0.664 454 A CB -1.282 17.716 19.000 -0.003 0.000 0.838 454 A HN 0.548 nan 8.150 nan 0.000 0.460 455 A N -1.510 121.309 122.820 -0.002 0.000 1.917 455 A HA -0.157 4.164 4.320 0.002 0.000 0.219 455 A C 2.512 180.096 177.584 -0.001 0.000 1.182 455 A CA 2.568 54.602 52.037 -0.005 0.000 0.633 455 A CB -1.089 17.906 19.000 -0.008 0.000 0.819 455 A HN 0.633 nan 8.150 nan 0.000 0.448 456 S N -0.862 114.839 115.700 0.002 0.000 2.348 456 S HA -0.012 4.459 4.470 0.002 0.000 0.221 456 S C 2.249 176.860 174.600 0.018 0.000 1.033 456 S CA 1.574 59.779 58.200 0.007 0.000 1.010 456 S CB -0.533 62.670 63.200 0.006 0.000 0.891 456 S HN 0.832 nan 8.310 nan 0.000 0.442 457 A N 2.235 125.066 122.820 0.018 0.000 1.851 457 A HA -0.026 4.295 4.320 0.002 0.000 0.216 457 A C 2.137 179.755 177.584 0.057 0.000 1.195 457 A CA 1.525 53.580 52.037 0.030 0.000 0.622 457 A CB -1.145 17.861 19.000 0.010 0.000 0.831 457 A HN 0.507 nan 8.150 nan 0.000 0.444 458 L N -0.196 121.053 121.223 0.042 0.000 2.064 458 L HA -0.280 4.061 4.340 0.002 0.000 0.216 458 L C 2.668 179.586 176.870 0.079 0.000 1.077 458 L CA 2.809 57.691 54.840 0.069 0.000 0.766 458 L CB -1.304 40.774 42.059 0.032 0.000 0.890 458 L HN 0.709 nan 8.230 nan 0.000 0.435 459 Q N -0.422 119.396 119.800 0.030 0.000 2.050 459 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 459 Q C 2.348 178.371 176.000 0.039 0.000 0.980 459 Q CA 1.653 57.458 55.803 0.004 0.000 0.840 459 Q CB -0.180 28.555 28.738 -0.005 0.000 0.898 459 Q HN 0.300 nan 8.270 nan 0.000 0.424 460 R N -0.810 119.730 120.500 0.066 0.000 2.112 460 R HA -0.196 4.145 4.340 0.002 0.000 0.242 460 R C 2.192 178.576 176.300 0.140 0.000 1.137 460 R CA 1.741 57.892 56.100 0.086 0.000 0.944 460 R CB -0.669 29.681 30.300 0.084 0.000 0.857 460 R HN 0.379 nan 8.270 nan 0.000 0.435 461 F N 1.295 121.259 119.950 0.023 0.000 2.043 461 F HA -0.270 4.257 4.527 0.001 0.000 0.297 461 F C 2.173 178.043 175.800 0.117 0.000 1.121 461 F CA 1.829 59.861 58.000 0.054 0.000 1.199 461 F CB -0.544 38.458 39.000 0.004 0.000 0.968 461 F HN -0.051 nan 8.300 nan 0.000 0.478 462 M N 0.352 119.877 119.600 -0.126 0.000 2.088 462 M HA -0.284 4.197 4.480 0.002 0.000 0.256 462 M C 2.049 178.361 176.300 0.018 0.000 1.071 462 M CA 2.415 57.603 55.300 -0.186 0.000 1.097 462 M CB -0.933 31.442 32.600 -0.375 0.000 1.315 462 M HN 0.271 nan 8.290 nan 0.000 0.406 463 E N 0.414 120.619 120.200 0.009 0.000 2.118 463 E HA -0.229 4.122 4.350 0.002 0.000 0.195 463 E C 1.986 178.603 176.600 0.028 0.000 0.992 463 E CA 1.210 57.632 56.400 0.037 0.000 0.804 463 E CB -0.448 29.268 29.700 0.027 0.000 0.741 463 E HN 0.354 nan 8.360 nan 0.000 0.458 464 L N 1.634 122.863 121.223 0.010 0.000 1.970 464 L HA -0.209 4.132 4.340 0.002 0.000 0.212 464 L C 2.139 179.010 176.870 0.001 0.000 1.071 464 L CA 1.647 56.500 54.840 0.021 0.000 0.751 464 L CB -0.506 41.597 42.059 0.073 0.000 0.889 464 L HN 0.066 nan 8.230 nan 0.000 0.432 465 I N 0.148 120.673 120.570 -0.075 0.000 2.118 465 I HA -0.330 3.841 4.170 0.002 0.000 0.241 465 I C 2.304 178.399 176.117 -0.037 0.000 1.070 465 I CA 1.710 62.962 61.300 -0.078 0.000 1.327 465 I CB -1.676 36.201 38.000 -0.205 0.000 1.034 465 I HN 0.365 nan 8.210 nan 0.000 0.405 466 D N 0.789 121.198 120.400 0.015 0.000 2.182 466 D HA -0.132 4.508 4.640 0.002 0.000 0.201 466 D C 2.206 178.510 176.300 0.007 0.000 0.986 466 D CA 1.508 55.520 54.000 0.021 0.000 0.847 466 D CB 0.077 40.930 40.800 0.089 0.000 0.942 466 D HN 0.380 nan 8.370 nan 0.000 0.467 467 A N 0.723 123.550 122.820 0.011 0.000 1.873 467 A HA -0.090 4.231 4.320 0.002 0.000 0.215 467 A C 2.425 180.006 177.584 -0.005 0.000 1.186 467 A CA 0.731 52.772 52.037 0.006 0.000 0.616 467 A CB -0.735 18.272 19.000 0.011 0.000 0.823 467 A HN 0.176 nan 8.150 nan 0.000 0.442 468 L N -0.566 120.655 121.223 -0.003 0.000 2.046 468 L HA -0.200 4.140 4.340 0.002 0.000 0.208 468 L C 3.105 179.961 176.870 -0.022 0.000 1.077 468 L CA 1.059 55.893 54.840 -0.010 0.000 0.747 468 L CB -0.693 41.372 42.059 0.009 0.000 0.896 468 L HN 0.434 nan 8.230 nan 0.000 0.432 469 A N -0.510 122.292 122.820 -0.030 0.000 1.873 469 A HA -0.254 4.066 4.320 0.002 0.000 0.218 469 A C 2.308 179.871 177.584 -0.035 0.000 1.193 469 A CA 1.629 53.640 52.037 -0.044 0.000 0.629 469 A CB -0.498 18.464 19.000 -0.062 0.000 0.826 469 A HN 0.421 nan 8.150 nan 0.000 0.447 470 Q N -0.378 119.407 119.800 -0.025 0.000 1.975 470 Q HA -0.209 4.132 4.340 0.002 0.000 0.205 470 Q C 1.886 177.873 176.000 -0.022 0.000 0.990 470 Q CA 1.913 57.705 55.803 -0.019 0.000 0.845 470 Q CB -0.526 28.206 28.738 -0.010 0.000 0.913 470 Q HN 0.832 nan 8.270 nan 0.000 0.420 471 E N -0.306 119.881 120.200 -0.021 0.000 2.401 471 E HA -0.101 4.250 4.350 0.002 0.000 0.199 471 E C 1.320 177.900 176.600 -0.033 0.000 1.023 471 E CA 1.072 57.458 56.400 -0.024 0.000 0.859 471 E CB 0.071 29.757 29.700 -0.022 0.000 0.780 471 E HN 0.277 nan 8.360 nan 0.000 0.523 472 T N -0.300 114.232 114.554 -0.037 0.000 2.990 472 T HA 0.194 4.545 4.350 0.002 0.000 0.250 472 T C 1.849 176.521 174.700 -0.047 0.000 1.041 472 T CA 0.341 62.412 62.100 -0.047 0.000 1.010 472 T CB 0.310 69.148 68.868 -0.051 0.000 1.003 472 T HN 0.200 nan 8.240 nan 0.000 0.499 473 A N 2.498 125.295 122.820 -0.039 0.000 1.971 473 A HA -0.216 4.105 4.320 0.002 0.000 0.222 473 A C 1.713 179.277 177.584 -0.033 0.000 1.182 473 A CA 1.928 53.944 52.037 -0.036 0.000 0.649 473 A CB -0.478 18.505 19.000 -0.029 0.000 0.818 473 A HN 0.400 nan 8.150 nan 0.000 0.458 474 D N -1.132 119.249 120.400 -0.032 0.000 2.339 474 D HA 0.175 4.816 4.640 0.002 0.000 0.217 474 D C 0.385 176.663 176.300 -0.036 0.000 1.050 474 D CA 0.190 54.173 54.000 -0.028 0.000 0.856 474 D CB -0.037 40.749 40.800 -0.022 0.000 0.922 474 D HN 0.486 nan 8.370 nan 0.000 0.518 475 M N 2.037 121.607 119.600 -0.051 0.000 2.249 475 M HA 0.253 4.734 4.480 0.002 0.000 0.351 475 M C -2.220 174.034 176.300 -0.077 0.000 1.180 475 M CA -1.689 53.566 55.300 -0.074 0.000 1.127 475 M CB 1.184 33.724 32.600 -0.100 0.000 1.546 475 M HN -0.301 nan 8.290 nan 0.000 0.461 476 P HA -0.015 nan 4.420 nan 0.000 0.271 476 P C 0.547 177.795 177.300 -0.087 0.000 1.216 476 P CA -0.350 62.726 63.100 -0.040 0.000 0.771 476 P CB 0.750 32.460 31.700 0.016 0.000 0.864 477 L N 4.216 125.424 121.223 -0.025 0.000 2.077 477 L HA -0.286 4.055 4.340 0.002 0.000 0.231 477 L C 2.626 179.433 176.870 -0.104 0.000 1.100 477 L CA 2.498 57.294 54.840 -0.075 0.000 0.819 477 L CB -1.610 40.409 42.059 -0.067 0.000 0.913 477 L HN 0.654 nan 8.230 nan 0.000 0.446 478 H N -2.181 116.831 119.070 -0.096 0.000 2.423 478 H HA -0.049 4.507 4.556 0.001 0.000 0.297 478 H C 2.105 177.392 175.328 -0.068 0.000 1.075 478 H CA 1.767 57.761 56.048 -0.091 0.000 1.342 478 H CB -1.027 28.706 29.762 -0.048 0.000 1.395 478 H HN 0.336 nan 8.280 nan 0.000 0.530 479 V N 1.899 121.365 119.914 -0.747 0.000 2.270 479 V HA -0.297 3.824 4.120 0.002 0.000 0.245 479 V C 3.074 179.032 176.094 -0.227 0.000 1.043 479 V CA 2.193 64.211 62.300 -0.470 0.000 1.014 479 V CB -0.868 30.701 31.823 -0.423 0.000 0.645 479 V HN 0.468 nan 8.190 nan 0.000 0.447 480 Q N -0.062 119.619 119.800 -0.197 0.000 2.096 480 Q HA -0.284 4.057 4.340 0.002 0.000 0.208 480 Q C 2.096 178.029 176.000 -0.113 0.000 0.993 480 Q CA 2.838 58.562 55.803 -0.131 0.000 0.862 480 Q CB -0.389 28.277 28.738 -0.120 0.000 0.915 480 Q HN 0.654 nan 8.270 nan 0.000 0.416 481 T N 0.495 114.973 114.554 -0.127 0.000 2.777 481 T HA -0.155 4.196 4.350 0.002 0.000 0.266 481 T C 1.280 175.937 174.700 -0.072 0.000 1.040 481 T CA 1.368 63.404 62.100 -0.106 0.000 1.141 481 T CB -0.439 68.347 68.868 -0.136 0.000 0.868 481 T HN 0.484 nan 8.240 nan 0.000 0.444 482 D N 0.789 121.148 120.400 -0.068 0.000 2.144 482 D HA -0.064 4.577 4.640 0.002 0.000 0.199 482 D C 2.369 178.637 176.300 -0.054 0.000 0.984 482 D CA 0.912 54.886 54.000 -0.044 0.000 0.834 482 D CB -0.002 40.779 40.800 -0.032 0.000 0.955 482 D HN 0.114 nan 8.370 nan 0.000 0.465 483 R N -0.242 120.216 120.500 -0.070 0.000 2.075 483 R HA -0.009 4.331 4.340 0.002 0.000 0.226 483 R C 2.299 178.555 176.300 -0.073 0.000 1.114 483 R CA 0.645 56.706 56.100 -0.065 0.000 0.972 483 R CB -0.360 29.901 30.300 -0.064 0.000 0.869 483 R HN 0.178 nan 8.270 nan 0.000 0.437 484 V N 1.541 121.409 119.914 -0.077 0.000 2.407 484 V HA -0.237 3.884 4.120 0.002 0.000 0.248 484 V C 2.310 178.312 176.094 -0.154 0.000 1.055 484 V CA 1.530 63.771 62.300 -0.099 0.000 1.049 484 V CB -0.349 31.442 31.823 -0.053 0.000 0.662 484 V HN 0.283 nan 8.190 nan 0.000 0.455 485 I N -0.325 120.184 120.570 -0.101 0.000 2.226 485 I HA -0.243 3.928 4.170 0.002 0.000 0.245 485 I C 2.529 178.589 176.117 -0.094 0.000 1.100 485 I CA 1.722 62.968 61.300 -0.090 0.000 1.374 485 I CB -0.389 37.591 38.000 -0.034 0.000 1.057 485 I HN 0.309 nan 8.210 nan 0.000 0.413 486 K N 1.317 121.673 120.400 -0.073 0.000 1.974 486 K HA -0.195 4.126 4.320 0.002 0.000 0.211 486 K C 1.520 178.071 176.600 -0.081 0.000 1.039 486 K CA 2.030 58.282 56.287 -0.058 0.000 0.947 486 K CB -0.128 32.347 32.500 -0.041 0.000 0.735 486 K HN 0.064 nan 8.250 nan 0.000 0.441 487 D N 0.477 120.827 120.400 -0.083 0.000 2.354 487 D HA -0.103 4.538 4.640 0.002 0.000 0.216 487 D C 1.504 177.734 176.300 -0.118 0.000 0.970 487 D CA 1.118 55.070 54.000 -0.079 0.000 0.905 487 D CB 0.009 40.776 40.800 -0.057 0.000 0.903 487 D HN 0.318 nan 8.370 nan 0.000 0.508 488 S N -1.570 113.983 115.700 -0.244 0.000 2.593 488 S HA 0.258 4.729 4.470 0.002 0.000 0.217 488 S C 1.820 176.273 174.600 -0.245 0.000 0.966 488 S CA 0.328 58.274 58.200 -0.423 0.000 0.914 488 S CB 0.245 62.660 63.200 -1.309 0.000 0.776 488 S HN 0.280 nan 8.310 nan 0.000 0.523 489 G N 1.229 109.944 108.800 -0.141 0.000 2.184 489 G HA2 -0.273 3.688 3.960 0.002 0.000 0.264 489 G HA3 -0.273 3.688 3.960 0.002 0.000 0.264 489 G C 0.595 175.456 174.900 -0.064 0.000 0.975 489 G CA 0.487 45.544 45.100 -0.071 0.000 0.642 489 G HN 0.496 nan 8.290 nan 0.000 0.536 490 L N -0.545 120.623 121.223 -0.091 0.000 2.017 490 L HA -0.038 4.303 4.340 0.002 0.000 0.208 490 L C 2.975 179.911 176.870 0.111 0.000 1.073 490 L CA 2.164 57.016 54.840 0.021 0.000 0.745 490 L CB -0.401 41.682 42.059 0.042 0.000 0.894 490 L HN 0.457 nan 8.230 nan 0.000 0.432 491 R N -0.374 120.163 120.500 0.062 0.000 2.082 491 R HA -0.182 4.159 4.340 0.002 0.000 0.234 491 R C 2.201 178.542 176.300 0.069 0.000 1.136 491 R CA 2.315 58.466 56.100 0.084 0.000 0.935 491 R CB -0.378 29.941 30.300 0.032 0.000 0.842 491 R HN 0.227 nan 8.270 nan 0.000 0.430 492 T N 1.516 116.081 114.554 0.018 0.000 2.737 492 T HA -0.246 4.105 4.350 0.002 0.000 0.269 492 T C 1.688 176.377 174.700 -0.019 0.000 1.040 492 T CA 1.750 63.850 62.100 0.001 0.000 1.142 492 T CB -0.221 68.639 68.868 -0.014 0.000 0.861 492 T HN 0.344 nan 8.240 nan 0.000 0.456 493 M N 0.025 119.589 119.600 -0.060 0.000 2.065 493 M HA -0.175 4.306 4.480 0.002 0.000 0.259 493 M C 1.817 178.002 176.300 -0.192 0.000 1.071 493 M CA 1.921 57.118 55.300 -0.172 0.000 1.109 493 M CB -0.304 32.116 32.600 -0.301 0.000 1.313 493 M HN 0.306 nan 8.290 nan 0.000 0.408 494 Y N 0.381 120.677 120.300 -0.006 0.000 2.509 494 Y HA -0.092 4.458 4.550 0.001 0.000 0.293 494 Y C 2.129 178.027 175.900 -0.003 0.000 1.133 494 Y CA 0.989 59.087 58.100 -0.004 0.000 1.283 494 Y CB -0.202 38.256 38.460 -0.004 0.000 1.001 494 Y HN 0.400 nan 8.280 nan 0.000 0.555 495 E N -0.099 120.170 120.200 0.114 0.000 2.274 495 E HA -0.188 4.163 4.350 0.002 0.000 0.194 495 E C 0.848 177.473 176.600 0.042 0.000 0.996 495 E CA 0.631 57.072 56.400 0.069 0.000 0.840 495 E CB 0.046 29.771 29.700 0.043 0.000 0.772 495 E HN 0.371 nan 8.360 nan 0.000 0.491 496 Q N 0.954 120.767 119.800 0.022 0.000 2.647 496 Q HA 0.143 4.484 4.340 0.002 0.000 0.400 496 Q C -1.257 174.742 176.000 -0.003 0.000 0.959 496 Q CA -0.060 55.745 55.803 0.003 0.000 1.079 496 Q CB 0.669 29.398 28.738 -0.016 0.000 1.351 496 Q HN -0.009 nan 8.270 nan 0.000 0.411 497 E N 0.624 120.840 120.200 0.027 0.000 2.210 497 E HA 0.210 4.561 4.350 0.002 0.000 0.266 497 E C 0.034 176.655 176.600 0.036 0.000 0.883 497 E CA -0.611 55.808 56.400 0.031 0.000 0.761 497 E CB 0.664 30.413 29.700 0.082 0.000 1.156 497 E HN 0.038 nan 8.360 nan 0.000 0.412 498 K N 2.053 122.466 120.400 0.022 0.000 2.391 498 K HA -0.311 4.010 4.320 0.002 0.000 0.176 498 K C 1.091 177.703 176.600 0.020 0.000 0.702 498 K CA 2.367 58.666 56.287 0.019 0.000 0.958 498 K CB -1.388 31.125 32.500 0.022 0.000 0.547 498 K HN 0.827 nan 8.250 nan 0.000 0.891 499 G N -2.667 106.147 108.800 0.024 0.000 4.212 499 G HA2 0.090 4.050 3.960 0.002 0.000 0.199 499 G HA3 0.090 4.050 3.960 0.002 0.000 0.199 499 G C 1.410 176.323 174.900 0.021 0.000 0.986 499 G CA 1.399 46.511 45.100 0.021 0.000 0.985 499 G HN 0.587 nan 8.290 nan 0.000 0.378 500 E N 1.536 121.747 120.200 0.019 0.000 1.996 500 E HA 0.004 4.355 4.350 0.002 0.000 0.197 500 E C 2.137 178.750 176.600 0.021 0.000 1.002 500 E CA 2.069 58.479 56.400 0.017 0.000 0.840 500 E CB -0.696 29.012 29.700 0.015 0.000 0.786 500 E HN 0.307 nan 8.360 nan 0.000 0.469 501 K N -0.079 120.337 120.400 0.028 0.000 1.980 501 K HA -0.040 4.281 4.320 0.002 0.000 0.223 501 K C 2.414 179.043 176.600 0.048 0.000 1.052 501 K CA 1.653 57.962 56.287 0.036 0.000 0.974 501 K CB -1.319 31.212 32.500 0.053 0.000 0.734 501 K HN 0.463 nan 8.250 nan 0.000 0.447 502 G N -0.295 108.549 108.800 0.074 0.000 2.803 502 G HA2 -0.445 3.516 3.960 0.002 0.000 0.227 502 G HA3 -0.445 3.516 3.960 0.002 0.000 0.227 502 G C 1.762 176.701 174.900 0.064 0.000 1.129 502 G CA 2.695 47.851 45.100 0.094 0.000 0.755 502 G HN 0.541 nan 8.290 nan 0.000 0.634 503 Q N -0.932 118.890 119.800 0.038 0.000 2.016 503 Q HA -0.045 4.295 4.340 0.002 0.000 0.200 503 Q C 2.687 178.696 176.000 0.014 0.000 0.978 503 Q CA 2.204 58.023 55.803 0.026 0.000 0.833 503 Q CB -1.412 27.337 28.738 0.019 0.000 0.895 503 Q HN 0.505 nan 8.270 nan 0.000 0.427 504 T N 0.685 115.244 114.554 0.007 0.000 2.622 504 T HA -0.190 4.161 4.350 0.002 0.000 0.266 504 T C 2.058 176.745 174.700 -0.023 0.000 1.047 504 T CA 1.326 63.424 62.100 -0.003 0.000 1.159 504 T CB -0.284 68.579 68.868 -0.007 0.000 0.863 504 T HN 0.584 nan 8.240 nan 0.000 0.422 505 R N 0.230 120.702 120.500 -0.047 0.000 2.133 505 R HA -0.151 4.190 4.340 0.002 0.000 0.245 505 R C 2.351 178.577 176.300 -0.123 0.000 1.137 505 R CA 1.628 57.647 56.100 -0.136 0.000 0.947 505 R CB -0.887 29.316 30.300 -0.161 0.000 0.865 505 R HN 0.318 nan 8.270 nan 0.000 0.437 506 I N 1.285 121.835 120.570 -0.034 0.000 2.226 506 I HA -0.214 3.957 4.170 0.002 0.000 0.245 506 I C 2.209 178.323 176.117 -0.005 0.000 1.100 506 I CA 1.407 62.702 61.300 -0.008 0.000 1.374 506 I CB -0.423 37.596 38.000 0.032 0.000 1.057 506 I HN 0.172 nan 8.210 nan 0.000 0.413 507 E N 0.258 120.460 120.200 0.004 0.000 2.058 507 E HA -0.239 4.112 4.350 0.002 0.000 0.194 507 E C 1.993 178.620 176.600 0.046 0.000 0.997 507 E CA 1.482 57.895 56.400 0.022 0.000 0.801 507 E CB -0.152 29.560 29.700 0.020 0.000 0.746 507 E HN 0.494 nan 8.360 nan 0.000 0.450 508 N N 0.593 119.315 118.700 0.037 0.000 2.104 508 N HA -0.184 4.557 4.740 0.002 0.000 0.190 508 N C 1.962 177.539 175.510 0.112 0.000 1.024 508 N CA 0.982 54.100 53.050 0.114 0.000 0.853 508 N CB -0.346 38.122 38.487 -0.032 0.000 1.008 508 N HN 0.182 nan 8.380 nan 0.000 0.424 509 L N 1.385 122.605 121.223 -0.005 0.000 2.187 509 L HA -0.158 4.183 4.340 0.002 0.000 0.213 509 L C 2.101 179.011 176.870 0.068 0.000 1.100 509 L CA 1.159 56.002 54.840 0.006 0.000 0.765 509 L CB -0.253 41.780 42.059 -0.043 0.000 0.904 509 L HN 0.225 nan 8.230 nan 0.000 0.437 510 E N -0.616 119.624 120.200 0.067 0.000 2.112 510 E HA -0.195 4.156 4.350 0.002 0.000 0.190 510 E C 1.989 178.645 176.600 0.094 0.000 0.979 510 E CA 0.466 56.906 56.400 0.066 0.000 0.814 510 E CB -0.003 29.724 29.700 0.045 0.000 0.762 510 E HN 0.413 nan 8.360 nan 0.000 0.460 511 E N 0.906 121.183 120.200 0.128 0.000 2.085 511 E HA -0.222 4.129 4.350 0.002 0.000 0.194 511 E C 2.132 178.840 176.600 0.179 0.000 0.994 511 E CA 0.675 57.141 56.400 0.110 0.000 0.801 511 E CB 0.012 29.773 29.700 0.101 0.000 0.743 511 E HN 0.090 nan 8.360 nan 0.000 0.453 512 L N 0.565 121.996 121.223 0.346 0.000 2.042 512 L HA -0.188 4.153 4.340 0.002 0.000 0.210 512 L C 2.265 179.255 176.870 0.200 0.000 1.076 512 L CA 1.446 56.518 54.840 0.386 0.000 0.749 512 L CB -0.637 41.619 42.059 0.329 0.000 0.893 512 L HN -0.013 nan 8.230 nan 0.000 0.432 513 V N -0.733 119.255 119.914 0.122 0.000 2.295 513 V HA -0.305 3.816 4.120 0.002 0.000 0.246 513 V C 2.465 178.607 176.094 0.081 0.000 1.049 513 V CA 2.189 64.536 62.300 0.079 0.000 1.024 513 V CB -1.116 30.751 31.823 0.073 0.000 0.648 513 V HN 0.560 nan 8.190 nan 0.000 0.447 514 T N 0.467 115.064 114.554 0.072 0.000 2.684 514 T HA -0.206 4.145 4.350 0.002 0.000 0.267 514 T C 2.077 176.820 174.700 0.072 0.000 1.036 514 T CA 1.688 63.812 62.100 0.040 0.000 1.148 514 T CB -0.556 68.324 68.868 0.020 0.000 0.863 514 T HN 0.580 nan 8.240 nan 0.000 0.436 515 A N 2.236 125.135 122.820 0.131 0.000 1.852 515 A HA -0.236 4.085 4.320 0.002 0.000 0.217 515 A C 2.629 180.400 177.584 0.311 0.000 1.215 515 A CA 3.095 55.286 52.037 0.257 0.000 0.641 515 A CB -1.698 17.559 19.000 0.428 0.000 0.838 515 A HN 0.649 nan 8.150 nan 0.000 0.450 516 T N -2.499 112.152 114.554 0.162 0.000 2.918 516 T HA -0.191 4.159 4.350 0.002 0.000 0.271 516 T C 1.765 176.510 174.700 0.076 0.000 1.104 516 T CA 1.665 63.708 62.100 -0.096 0.000 1.114 516 T CB -0.315 68.308 68.868 -0.408 0.000 0.855 516 T HN 0.533 nan 8.240 nan 0.000 0.518 517 R N 0.601 121.142 120.500 0.068 0.000 2.140 517 R HA 0.125 4.466 4.340 0.002 0.000 0.213 517 R C 2.429 178.729 176.300 0.001 0.000 1.059 517 R CA 0.730 56.798 56.100 -0.053 0.000 1.000 517 R CB 0.038 30.206 30.300 -0.220 0.000 0.910 517 R HN 0.523 nan 8.270 nan 0.000 0.455 518 Q N -0.546 119.295 119.800 0.069 0.000 2.392 518 Q HA 0.007 4.348 4.340 0.002 0.000 0.203 518 Q C -0.256 175.808 176.000 0.106 0.000 0.917 518 Q CA -0.272 55.564 55.803 0.056 0.000 0.939 518 Q CB 0.215 28.976 28.738 0.038 0.000 1.063 518 Q HN 0.120 nan 8.270 nan 0.000 0.516 519 F N 1.758 121.735 119.950 0.045 0.000 2.612 519 F HA -0.017 4.511 4.527 0.001 0.000 0.389 519 F C -0.003 175.796 175.800 -0.001 0.000 1.055 519 F CA 0.527 58.551 58.000 0.040 0.000 1.232 519 F CB 0.619 39.732 39.000 0.188 0.000 1.044 519 F HN -0.252 nan 8.300 nan 0.000 0.560 520 S N 5.029 120.333 115.700 -0.660 0.000 2.547 520 S HA 0.842 5.313 4.470 0.002 0.000 0.281 520 S C -0.876 173.304 174.600 -0.700 0.000 1.118 520 S CA 0.237 58.143 58.200 -0.490 0.000 0.947 520 S CB 0.305 63.358 63.200 -0.244 0.000 1.053 520 S HN 0.962 nan 8.310 nan 0.000 0.482 526 E N -0.418 119.797 120.200 0.024 0.000 3.288 526 E HA 0.336 4.687 4.350 0.002 0.000 0.237 526 E C 0.782 177.399 176.600 0.027 0.000 0.958 526 E CA 1.899 58.315 56.400 0.026 0.000 0.947 526 E CB -1.247 28.469 29.700 0.028 0.000 0.896 526 E HN 1.771 nan 8.360 nan 0.000 0.566 527 D N 1.849 122.260 120.400 0.019 0.000 1.756 527 D HA 0.392 5.033 4.640 0.002 0.000 0.648 527 D C 0.504 176.794 176.300 -0.017 0.000 0.769 527 D CA 0.389 54.395 54.000 0.010 0.000 1.133 527 D CB -0.089 40.721 40.800 0.016 0.000 1.444 527 D HN 0.555 nan 8.370 nan 0.000 0.482 528 L N 0.783 122.003 121.223 -0.005 0.000 2.582 528 L HA 0.549 4.889 4.340 0.002 0.000 0.257 528 L C -1.066 175.810 176.870 0.010 0.000 0.974 528 L CA -0.889 53.938 54.840 -0.022 0.000 0.851 528 L CB 2.164 44.208 42.059 -0.025 0.000 1.424 528 L HN 0.180 nan 8.230 nan 0.000 0.412 529 M N 2.391 121.985 119.600 -0.010 0.000 2.219 529 M HA 0.164 4.645 4.480 0.002 0.000 0.353 529 M C -1.467 174.854 176.300 0.035 0.000 1.304 529 M CA -1.596 53.708 55.300 0.006 0.000 1.115 529 M CB 0.322 32.909 32.600 -0.020 0.000 1.664 529 M HN 0.255 nan 8.290 nan 0.000 0.459 530 P HA -0.290 nan 4.420 nan 0.000 0.221 530 P C 1.590 178.897 177.300 0.010 0.000 1.107 530 P CA 1.438 64.612 63.100 0.123 0.000 0.986 530 P CB -0.111 31.647 31.700 0.097 0.000 0.774 531 L N -0.945 120.251 121.223 -0.045 0.000 1.990 531 L HA -0.277 4.064 4.340 0.002 0.000 0.213 531 L C 2.324 179.163 176.870 -0.053 0.000 1.072 531 L CA 2.076 56.865 54.840 -0.086 0.000 0.755 531 L CB -1.488 40.522 42.059 -0.081 0.000 0.889 531 L HN -0.065 nan 8.230 nan 0.000 0.432 532 Q N -0.509 119.264 119.800 -0.044 0.000 2.170 532 Q HA -0.126 4.215 4.340 0.002 0.000 0.203 532 Q C 2.202 178.185 176.000 -0.028 0.000 0.976 532 Q CA 1.812 57.581 55.803 -0.057 0.000 0.858 532 Q CB -0.540 28.146 28.738 -0.085 0.000 0.907 532 Q HN 0.705 nan 8.270 nan 0.000 0.433 533 A N 0.148 122.987 122.820 0.031 0.000 1.835 533 A HA -0.190 4.131 4.320 0.002 0.000 0.215 533 A C 1.925 179.553 177.584 0.074 0.000 1.199 533 A CA 1.321 53.447 52.037 0.149 0.000 0.615 533 A CB -1.097 18.124 19.000 0.368 0.000 0.838 533 A HN 0.436 nan 8.150 nan 0.000 0.444 534 F N 0.622 120.278 119.950 -0.490 0.000 2.043 534 F HA -0.242 4.286 4.527 0.002 0.000 0.297 534 F C 2.035 177.635 175.800 -0.332 0.000 1.118 534 F CA 2.126 59.615 58.000 -0.852 0.000 1.202 534 F CB -0.354 37.999 39.000 -1.078 0.000 0.965 534 F HN 0.156 nan 8.300 nan 0.000 0.482 535 L N -0.594 120.650 121.223 0.035 0.000 2.197 535 L HA -0.317 4.024 4.340 0.002 0.000 0.215 535 L C 2.642 179.422 176.870 -0.150 0.000 1.095 535 L CA 1.553 56.371 54.840 -0.036 0.000 0.764 535 L CB -0.782 41.269 42.059 -0.013 0.000 0.897 535 L HN 0.312 nan 8.230 nan 0.000 0.436 536 S N -1.147 114.480 115.700 -0.122 0.000 2.356 536 S HA -0.192 4.279 4.470 0.002 0.000 0.219 536 S C 2.088 176.581 174.600 -0.179 0.000 1.036 536 S CA 0.577 58.701 58.200 -0.127 0.000 0.965 536 S CB -0.258 62.914 63.200 -0.047 0.000 0.864 536 S HN 0.603 nan 8.310 nan 0.000 0.471 537 H N 1.007 119.933 119.070 -0.241 0.000 2.561 537 H HA 0.219 4.775 4.556 0.002 0.000 0.278 537 H C 1.491 176.567 175.328 -0.420 0.000 1.014 537 H CA 1.190 57.102 56.048 -0.227 0.000 1.211 537 H CB -0.295 29.462 29.762 -0.008 0.000 1.365 537 H HN 0.436 nan 8.280 nan 0.000 0.594 538 A N 0.058 122.497 122.820 -0.635 0.000 2.147 538 A HA 0.387 4.708 4.320 0.002 0.000 0.211 538 A C 2.402 179.665 177.584 -0.535 0.000 1.160 538 A CA 0.641 52.041 52.037 -1.062 0.000 0.781 538 A CB -0.261 17.980 19.000 -1.266 0.000 0.842 538 A HN 0.489 nan 8.150 nan 0.000 0.475 539 A N -0.840 121.803 122.820 -0.296 0.000 2.063 539 A HA 0.381 4.702 4.320 0.002 0.000 0.211 539 A C 1.808 179.406 177.584 0.023 0.000 1.177 539 A CA 0.349 52.337 52.037 -0.081 0.000 0.759 539 A CB -0.175 18.786 19.000 -0.064 0.000 0.857 539 A HN 0.355 nan 8.150 nan 0.000 0.468 540 L N -0.045 121.105 121.223 -0.122 0.000 2.341 540 L HA 0.088 4.429 4.340 0.002 0.000 0.214 540 L C 0.045 176.799 176.870 -0.193 0.000 1.115 540 L CA 0.607 55.359 54.840 -0.146 0.000 0.820 540 L CB -0.036 41.898 42.059 -0.209 0.000 0.944 540 L HN 0.570 nan 8.230 nan 0.000 0.452 541 E N -1.091 118.981 120.200 -0.213 0.000 2.313 541 E HA 0.404 4.755 4.350 0.002 0.000 0.280 541 E C -0.369 176.210 176.600 -0.035 0.000 0.898 541 E CA -0.205 56.100 56.400 -0.157 0.000 0.803 541 E CB 1.614 31.201 29.700 -0.189 0.000 1.286 541 E HN -0.049 nan 8.360 nan 0.000 0.401 542 A N 3.166 126.027 122.820 0.068 0.000 2.220 542 A HA 0.371 4.692 4.320 0.002 0.000 0.211 542 A C 1.263 178.915 177.584 0.114 0.000 1.176 542 A CA 0.426 52.603 52.037 0.233 0.000 0.834 542 A CB -0.229 18.887 19.000 0.193 0.000 0.868 542 A HN 0.782 nan 8.150 nan 0.000 0.488 543 G N -0.578 108.245 108.800 0.038 0.000 3.127 543 G HA2 0.420 4.380 3.960 0.002 0.000 0.224 543 G HA3 0.420 4.380 3.960 0.002 0.000 0.224 543 G C 0.314 175.187 174.900 -0.046 0.000 1.025 543 G CA 1.231 46.327 45.100 -0.007 0.000 0.916 543 G HN 2.027 nan 8.290 nan 0.000 0.475 544 E N -1.539 118.631 120.200 -0.051 0.000 6.375 544 E HA 0.458 4.809 4.350 0.002 0.000 0.538 544 E C 0.720 177.295 176.600 -0.042 0.000 0.683 544 E CA 1.035 57.392 56.400 -0.072 0.000 2.827 544 E CB -1.149 28.464 29.700 -0.144 0.000 0.815 544 E HN 2.298 nan 8.360 nan 0.000 0.262 545 G N -1.383 107.383 108.800 -0.057 0.000 2.501 545 G HA2 0.694 4.655 3.960 0.002 0.000 0.211 545 G HA3 0.694 4.655 3.960 0.002 0.000 0.211 545 G C 0.943 175.817 174.900 -0.043 0.000 1.409 545 G CA 2.179 47.248 45.100 -0.051 0.000 0.531 545 G HN 2.143 nan 8.290 nan 0.000 1.086 546 Q N -1.243 118.523 119.800 -0.056 0.000 1.628 546 Q HA 0.615 4.956 4.340 0.002 0.000 0.141 546 Q C 0.615 176.589 176.000 -0.043 0.000 0.629 546 Q CA 0.873 56.649 55.803 -0.044 0.000 0.789 546 Q CB -1.496 27.216 28.738 -0.044 0.000 1.258 546 Q HN 2.148 nan 8.270 nan 0.000 0.323 547 A N 0.465 123.260 122.820 -0.041 0.000 1.646 547 A HA 0.277 4.598 4.320 0.002 0.000 0.243 547 A C 0.677 178.268 177.584 0.011 0.000 1.137 547 A CA 1.443 53.475 52.037 -0.007 0.000 0.841 547 A CB -2.320 16.683 19.000 0.005 0.000 1.098 547 A HN 2.110 nan 8.150 nan 0.000 0.302 548 D N 1.758 122.150 120.400 -0.014 0.000 2.531 548 D HA 0.392 5.033 4.640 0.002 0.000 0.239 548 D C 0.789 177.105 176.300 0.027 0.000 1.144 548 D CA 0.706 54.694 54.000 -0.021 0.000 0.869 548 D CB -0.061 40.694 40.800 -0.074 0.000 1.160 548 D HN 1.548 nan 8.370 nan 0.000 0.484 549 T N 2.635 117.209 114.554 0.034 0.000 2.656 549 T HA -0.164 4.187 4.350 0.002 0.000 0.258 549 T C 0.645 175.413 174.700 0.113 0.000 1.020 549 T CA -0.137 62.010 62.100 0.079 0.000 1.191 549 T CB -0.350 68.545 68.868 0.045 0.000 1.004 549 T HN 0.652 nan 8.240 nan 0.000 0.498 550 W N 6.709 128.017 121.300 0.014 0.000 1.802 550 W HA -0.016 4.645 4.660 0.001 0.000 0.413 550 W C 0.706 177.244 176.519 0.032 0.000 0.744 550 W CA -0.098 57.264 57.345 0.029 0.000 2.517 550 W CB -0.727 28.751 29.460 0.031 0.000 0.679 550 W HN 0.806 nan 8.180 nan 0.000 0.411 551 Q N 2.070 121.879 119.800 0.014 0.000 2.296 551 Q HA 0.004 4.345 4.340 0.002 0.000 0.263 551 Q C -0.308 175.640 176.000 -0.088 0.000 1.026 551 Q CA -0.333 55.473 55.803 0.005 0.000 0.912 551 Q CB 0.567 29.300 28.738 -0.010 0.000 1.198 551 Q HN 0.067 nan 8.270 nan 0.000 0.407 552 D N 3.097 123.484 120.400 -0.021 0.000 2.662 552 D HA 0.122 4.763 4.640 0.002 0.000 0.233 552 D C -1.246 175.026 176.300 -0.048 0.000 1.129 552 D CA 0.994 54.973 54.000 -0.035 0.000 0.851 552 D CB 0.359 41.200 40.800 0.068 0.000 1.152 552 D HN 0.656 nan 8.370 nan 0.000 0.507 553 A N 2.884 125.649 122.820 -0.091 0.000 2.556 553 A HA 0.589 4.910 4.320 0.002 0.000 0.294 553 A C -0.888 176.691 177.584 -0.008 0.000 1.091 553 A CA -0.837 51.178 52.037 -0.037 0.000 0.704 553 A CB 1.352 20.310 19.000 -0.071 0.000 1.300 553 A HN 0.329 nan 8.150 nan 0.000 0.406 554 V N 1.144 121.082 119.914 0.041 0.000 2.686 554 V HA 0.253 4.374 4.120 0.002 0.000 0.295 554 V C 0.166 176.266 176.094 0.011 0.000 1.055 554 V CA -0.158 62.150 62.300 0.014 0.000 1.050 554 V CB 1.119 32.946 31.823 0.007 0.000 0.984 554 V HN 0.839 nan 8.190 nan 0.000 0.482 555 Q N 3.251 123.000 119.800 -0.086 0.000 2.349 555 Q HA 0.521 4.862 4.340 0.002 0.000 0.254 555 Q C -1.161 174.745 176.000 -0.156 0.000 0.980 555 Q CA -0.048 55.665 55.803 -0.150 0.000 0.924 555 Q CB 0.985 29.515 28.738 -0.346 0.000 1.209 555 Q HN 0.539 nan 8.270 nan 0.000 0.445 556 L N 4.853 126.082 121.223 0.010 0.000 2.313 556 L HA 0.697 5.037 4.340 0.002 0.000 0.283 556 L C -0.228 176.685 176.870 0.071 0.000 1.013 556 L CA -0.092 54.795 54.840 0.079 0.000 0.816 556 L CB 1.145 43.355 42.059 0.252 0.000 1.236 556 L HN 0.733 nan 8.230 nan 0.000 0.419 557 M N 0.287 119.769 119.600 -0.197 0.000 3.012 557 M HA 0.588 5.069 4.480 0.002 0.000 0.272 557 M C -0.783 175.091 176.300 -0.710 0.000 1.187 557 M CA -0.800 54.373 55.300 -0.212 0.000 0.813 557 M CB 2.034 34.570 32.600 -0.107 0.000 1.626 557 M HN 0.401 nan 8.290 nan 0.000 0.507 558 T N -0.908 113.430 114.554 -0.360 0.000 2.902 558 T HA 0.534 4.885 4.350 0.002 0.000 0.280 558 T C 0.999 175.595 174.700 -0.175 0.000 0.992 558 T CA -0.864 61.031 62.100 -0.342 0.000 1.015 558 T CB 1.157 70.009 68.868 -0.027 0.000 1.044 558 T HN 0.696 nan 8.240 nan 0.000 0.520 559 L N 0.357 121.501 121.223 -0.132 0.000 2.012 559 L HA -0.118 4.222 4.340 0.002 0.000 0.210 559 L C 2.745 179.578 176.870 -0.062 0.000 1.073 559 L CA 1.722 56.508 54.840 -0.091 0.000 0.748 559 L CB -0.901 41.098 42.059 -0.099 0.000 0.891 559 L HN 0.792 nan 8.230 nan 0.000 0.431 560 H N -0.148 118.878 119.070 -0.073 0.000 2.251 560 H HA -0.167 4.389 4.556 0.001 0.000 0.294 560 H C 2.328 177.700 175.328 0.073 0.000 1.078 560 H CA 1.914 57.950 56.048 -0.021 0.000 1.246 560 H CB -0.406 29.367 29.762 0.019 0.000 1.358 560 H HN 0.365 nan 8.280 nan 0.000 0.488 561 S N -0.249 115.584 115.700 0.222 0.000 2.803 561 S HA 0.219 4.690 4.470 0.002 0.000 0.226 561 S C 1.647 176.323 174.600 0.125 0.000 0.962 561 S CA 0.293 58.613 58.200 0.199 0.000 0.968 561 S CB -0.040 63.288 63.200 0.214 0.000 0.786 561 S HN 0.505 nan 8.310 nan 0.000 0.527 562 A N 1.036 123.895 122.820 0.065 0.000 2.167 562 A HA 0.333 4.654 4.320 0.002 0.000 0.208 562 A C 0.915 178.537 177.584 0.062 0.000 1.198 562 A CA -0.292 51.773 52.037 0.045 0.000 0.863 562 A CB -0.131 18.861 19.000 -0.013 0.000 0.904 562 A HN 0.493 nan 8.150 nan 0.000 0.484 563 K N 0.408 120.836 120.400 0.047 0.000 2.491 563 K HA 0.220 4.541 4.320 0.002 0.000 0.279 563 K C 1.062 177.690 176.600 0.046 0.000 1.026 563 K CA 1.082 57.391 56.287 0.036 0.000 1.070 563 K CB -0.218 32.304 32.500 0.037 0.000 0.887 563 K HN 0.836 nan 8.250 nan 0.000 0.481 564 G N 2.996 111.807 108.800 0.019 0.000 2.175 564 G HA2 -0.224 3.737 3.960 0.002 0.000 0.244 564 G HA3 -0.224 3.737 3.960 0.002 0.000 0.244 564 G C -0.051 174.832 174.900 -0.029 0.000 0.982 564 G CA 0.122 45.225 45.100 0.006 0.000 0.641 564 G HN 0.468 nan 8.290 nan 0.000 0.527 565 L N 0.018 121.220 121.223 -0.035 0.000 2.335 565 L HA 0.859 5.200 4.340 0.002 0.000 0.268 565 L C 0.350 177.058 176.870 -0.270 0.000 1.016 565 L CA -0.876 53.870 54.840 -0.156 0.000 0.805 565 L CB 1.648 43.672 42.059 -0.059 0.000 1.311 565 L HN 0.527 nan 8.230 nan 0.000 0.456 566 E N 0.171 119.955 120.200 -0.694 0.000 2.363 566 E HA 0.629 4.980 4.350 0.002 0.000 0.281 566 E C -1.903 174.106 176.600 -0.986 0.000 0.953 566 E CA -0.703 55.368 56.400 -0.547 0.000 0.778 566 E CB 1.923 31.459 29.700 -0.273 0.000 1.220 566 E HN 0.246 nan 8.360 nan 0.000 0.431 567 F N 0.580 120.484 119.950 -0.077 0.000 2.619 567 F HA 0.394 4.922 4.527 0.001 0.000 0.308 567 F C -2.146 173.584 175.800 -0.117 0.000 1.097 567 F CA -2.441 55.506 58.000 -0.088 0.000 0.953 567 F CB 1.884 40.811 39.000 -0.122 0.000 1.287 567 F HN 0.275 nan 8.300 nan 0.000 0.446 568 P HA -0.160 nan 4.420 nan 0.000 0.215 568 P C -0.278 176.907 177.300 -0.191 0.000 1.153 568 P CA 1.432 64.519 63.100 -0.022 0.000 0.853 568 P CB 0.276 32.015 31.700 0.066 0.000 0.788 569 Q N -0.235 119.363 119.800 -0.336 0.000 2.330 569 Q HA 0.493 4.834 4.340 0.002 0.000 0.269 569 Q C -1.374 174.394 176.000 -0.387 0.000 1.022 569 Q CA -0.865 54.632 55.803 -0.511 0.000 0.796 569 Q CB 1.443 29.635 28.738 -0.910 0.000 1.271 569 Q HN -0.092 nan 8.270 nan 0.000 0.450 570 V N 1.604 121.244 119.914 -0.457 0.000 3.007 570 V HA 0.800 4.921 4.120 0.002 0.000 0.311 570 V C -1.748 174.048 176.094 -0.497 0.000 1.120 570 V CA -0.708 61.388 62.300 -0.340 0.000 0.980 570 V CB 1.901 33.621 31.823 -0.170 0.000 1.033 570 V HN 0.695 nan 8.190 nan 0.000 0.429 571 F N 4.266 124.145 119.950 -0.119 0.000 2.553 571 F HA 0.650 5.178 4.527 0.001 0.000 0.335 571 F C -0.045 175.750 175.800 -0.007 0.000 1.148 571 F CA -0.486 57.493 58.000 -0.036 0.000 0.963 571 F CB 1.753 40.734 39.000 -0.031 0.000 1.217 571 F HN 0.389 nan 8.300 nan 0.000 0.441 572 I N 3.703 124.386 120.570 0.187 0.000 2.396 572 I HA 0.456 4.627 4.170 0.002 0.000 0.292 572 I C -0.314 175.943 176.117 0.233 0.000 0.999 572 I CA -0.822 60.583 61.300 0.175 0.000 1.310 572 I CB 1.455 39.550 38.000 0.158 0.000 1.404 572 I HN 0.271 nan 8.210 nan 0.000 0.496 573 V N 4.061 124.120 119.914 0.241 0.000 3.019 573 V HA 0.586 4.707 4.120 0.002 0.000 0.317 573 V C 0.633 176.875 176.094 0.248 0.000 1.094 573 V CA -0.173 62.272 62.300 0.242 0.000 1.000 573 V CB 1.784 33.738 31.823 0.218 0.000 1.060 573 V HN 1.006 nan 8.190 nan 0.000 0.443 574 G N 3.914 112.845 108.800 0.219 0.000 2.371 574 G HA2 -0.211 3.750 3.960 0.002 0.000 0.299 574 G HA3 -0.211 3.750 3.960 0.002 0.000 0.299 574 G C 0.179 175.213 174.900 0.222 0.000 1.014 574 G CA 0.059 45.282 45.100 0.205 0.000 1.097 574 G HN 0.426 nan 8.290 nan 0.000 0.512 575 M N 1.013 120.749 119.600 0.226 0.000 3.709 575 M HA 0.180 4.661 4.480 0.002 0.000 0.197 575 M C 0.579 176.863 176.300 -0.027 0.000 1.511 575 M CA 0.663 56.029 55.300 0.109 0.000 1.688 575 M CB -0.953 31.710 32.600 0.104 0.000 1.109 575 M HN 0.461 nan 8.290 nan 0.000 0.561 576 E N 0.311 120.506 120.200 -0.007 0.000 2.183 576 E HA 0.311 4.662 4.350 0.002 0.000 0.271 576 E C -0.517 175.965 176.600 -0.197 0.000 0.919 576 E CA -0.813 55.532 56.400 -0.092 0.000 0.781 576 E CB 1.666 31.406 29.700 0.067 0.000 1.140 576 E HN 0.161 nan 8.360 nan 0.000 0.402 577 E N 0.925 120.979 120.200 -0.243 0.000 2.502 577 E HA 0.086 4.436 4.350 0.002 0.000 0.261 577 E C 0.884 177.276 176.600 -0.347 0.000 0.974 577 E CA 1.931 58.169 56.400 -0.269 0.000 0.936 577 E CB 0.376 29.949 29.700 -0.212 0.000 0.926 577 E HN 0.698 nan 8.360 nan 0.000 0.459 578 G N 4.148 112.767 108.800 -0.302 0.000 2.956 578 G HA2 -0.309 3.652 3.960 0.002 0.000 0.210 578 G HA3 -0.309 3.652 3.960 0.002 0.000 0.210 578 G C 1.036 175.747 174.900 -0.314 0.000 1.316 578 G CA 0.367 45.243 45.100 -0.373 0.000 0.819 578 G HN 0.448 nan 8.290 nan 0.000 0.544 579 M N -0.270 119.128 119.600 -0.338 0.000 2.160 579 M HA 0.418 4.899 4.480 0.002 0.000 0.264 579 M C 1.001 177.335 176.300 0.057 0.000 1.073 579 M CA 1.142 56.371 55.300 -0.119 0.000 1.142 579 M CB -0.582 31.998 32.600 -0.034 0.000 1.358 579 M HN 0.473 nan 8.290 nan 0.000 0.422 580 F N 2.266 122.134 119.950 -0.137 0.000 3.152 580 F HA 0.315 4.843 4.527 0.001 0.000 0.367 580 F C -2.479 173.195 175.800 -0.210 0.000 1.272 580 F CA -2.142 55.815 58.000 -0.072 0.000 1.172 580 F CB 1.767 40.790 39.000 0.039 0.000 1.552 580 F HN -0.126 nan 8.300 nan 0.000 0.616 581 P HA -0.049 nan 4.420 nan 0.000 0.262 581 P C -0.238 177.105 177.300 0.071 0.000 1.182 581 P CA 0.389 63.581 63.100 0.154 0.000 0.761 581 P CB 1.116 32.752 31.700 -0.106 0.000 0.795 582 S N 1.979 117.731 115.700 0.086 0.000 2.568 582 S HA -0.043 4.428 4.470 0.002 0.000 0.282 582 S C 1.428 176.002 174.600 -0.044 0.000 1.338 582 S CA -0.203 57.985 58.200 -0.020 0.000 1.045 582 S CB 0.743 63.909 63.200 -0.056 0.000 0.873 582 S HN 0.431 nan 8.310 nan 0.000 0.516 583 Q N 1.787 121.545 119.800 -0.071 0.000 2.135 583 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 583 Q C 1.877 177.853 176.000 -0.039 0.000 0.981 583 Q CA 2.095 57.861 55.803 -0.063 0.000 0.856 583 Q CB -0.453 28.250 28.738 -0.058 0.000 0.902 583 Q HN 0.858 nan 8.270 nan 0.000 0.425 584 M N -0.668 118.908 119.600 -0.040 0.000 2.108 584 M HA -0.080 4.401 4.480 0.002 0.000 0.261 584 M C 1.545 177.833 176.300 -0.019 0.000 1.066 584 M CA 1.334 56.612 55.300 -0.037 0.000 1.107 584 M CB -1.097 31.467 32.600 -0.060 0.000 1.356 584 M HN -0.000 nan 8.290 nan 0.000 0.406 585 S N 0.650 116.344 115.700 -0.011 0.000 2.840 585 S HA 0.287 4.758 4.470 0.002 0.000 0.235 585 S C 1.627 176.238 174.600 0.019 0.000 0.968 585 S CA 0.099 58.312 58.200 0.022 0.000 1.026 585 S CB -0.279 62.953 63.200 0.054 0.000 0.788 585 S HN 0.385 nan 8.310 nan 0.000 0.487 586 L N 0.020 121.241 121.223 -0.003 0.000 2.685 586 L HA 0.192 4.533 4.340 0.002 0.000 0.235 586 L C 1.346 178.213 176.870 -0.004 0.000 1.070 586 L CA 0.303 55.136 54.840 -0.011 0.000 0.888 586 L CB 0.111 42.150 42.059 -0.034 0.000 1.203 586 L HN 0.249 nan 8.230 nan 0.000 0.499 587 D N -0.980 119.419 120.400 -0.003 0.000 3.084 587 D HA -0.001 4.639 4.640 0.002 0.000 0.294 587 D C 1.841 178.144 176.300 0.006 0.000 1.165 587 D CA 0.802 54.802 54.000 -0.000 0.000 1.008 587 D CB -0.359 40.437 40.800 -0.007 0.000 1.266 587 D HN 0.002 nan 8.370 nan 0.000 0.449 588 E N 0.991 121.192 120.200 0.002 0.000 2.355 588 E HA 0.009 4.360 4.350 0.002 0.000 0.209 588 E C 1.503 178.119 176.600 0.027 0.000 1.050 588 E CA 1.772 58.175 56.400 0.005 0.000 0.843 588 E CB -1.191 28.508 29.700 -0.002 0.000 0.742 588 E HN 0.852 nan 8.360 nan 0.000 0.489 589 G N -2.653 106.169 108.800 0.038 0.000 3.231 589 G HA2 0.492 4.453 3.960 0.002 0.000 0.232 589 G HA3 0.492 4.453 3.960 0.002 0.000 0.232 589 G C 1.007 175.944 174.900 0.061 0.000 2.928 589 G CA 0.557 45.689 45.100 0.054 0.000 0.879 589 G HN 1.569 nan 8.290 nan 0.000 0.424 590 G N 0.220 109.050 108.800 0.051 0.000 2.439 590 G HA2 -0.142 3.819 3.960 0.002 0.000 0.305 590 G HA3 -0.142 3.819 3.960 0.002 0.000 0.305 590 G C 1.039 175.982 174.900 0.072 0.000 0.966 590 G CA 1.298 46.431 45.100 0.055 0.000 0.890 590 G HN 1.901 nan 8.290 nan 0.000 0.513 591 R N -1.284 119.266 120.500 0.084 0.000 2.823 591 R HA 0.500 4.841 4.340 0.002 0.000 0.250 591 R C 1.947 178.320 176.300 0.122 0.000 1.332 591 R CA 0.636 56.801 56.100 0.109 0.000 1.259 591 R CB -0.653 29.723 30.300 0.128 0.000 1.225 591 R HN 0.552 nan 8.270 nan 0.000 0.545 592 L N 1.116 122.406 121.223 0.110 0.000 2.005 592 L HA -0.009 4.332 4.340 0.002 0.000 0.207 592 L C 2.199 179.175 176.870 0.176 0.000 1.072 592 L CA 1.886 56.811 54.840 0.142 0.000 0.744 592 L CB -0.356 41.768 42.059 0.108 0.000 0.895 592 L HN 0.329 nan 8.230 nan 0.000 0.433 593 E N -0.521 119.752 120.200 0.121 0.000 2.171 593 E HA -0.336 4.015 4.350 0.002 0.000 0.197 593 E C 1.990 178.642 176.600 0.088 0.000 0.997 593 E CA 1.578 58.032 56.400 0.090 0.000 0.810 593 E CB -0.139 29.593 29.700 0.053 0.000 0.738 593 E HN 0.684 nan 8.360 nan 0.000 0.467 594 E N 1.018 121.286 120.200 0.113 0.000 2.047 594 E HA -0.192 4.159 4.350 0.002 0.000 0.191 594 E C 1.966 178.658 176.600 0.153 0.000 0.987 594 E CA 0.926 57.395 56.400 0.115 0.000 0.799 594 E CB 0.163 29.953 29.700 0.150 0.000 0.752 594 E HN 0.083 nan 8.360 nan 0.000 0.449 595 E N 0.419 120.762 120.200 0.238 0.000 2.204 595 E HA -0.202 4.149 4.350 0.002 0.000 0.195 595 E C 2.080 178.931 176.600 0.418 0.000 0.990 595 E CA 0.711 57.358 56.400 0.410 0.000 0.821 595 E CB -0.146 29.858 29.700 0.506 0.000 0.750 595 E HN 0.270 nan 8.360 nan 0.000 0.477 596 R N 0.650 121.264 120.500 0.190 0.000 2.057 596 R HA -0.011 4.330 4.340 0.002 0.000 0.229 596 R C 2.422 178.616 176.300 -0.177 0.000 1.136 596 R CA 0.807 56.730 56.100 -0.296 0.000 0.952 596 R CB 0.033 30.228 30.300 -0.176 0.000 0.848 596 R HN -0.006 nan 8.270 nan 0.000 0.430 597 R N 0.365 120.839 120.500 -0.044 0.000 2.119 597 R HA -0.206 4.134 4.340 0.002 0.000 0.246 597 R C 2.312 178.642 176.300 0.051 0.000 1.146 597 R CA 1.612 57.702 56.100 -0.016 0.000 0.962 597 R CB -0.534 29.750 30.300 -0.026 0.000 0.863 597 R HN 0.183 nan 8.270 nan 0.000 0.442 598 L N 0.606 121.864 121.223 0.058 0.000 2.012 598 L HA -0.190 4.151 4.340 0.002 0.000 0.210 598 L C 2.316 179.281 176.870 0.158 0.000 1.073 598 L CA 2.154 57.027 54.840 0.055 0.000 0.748 598 L CB -0.778 41.333 42.059 0.087 0.000 0.891 598 L HN 0.163 nan 8.230 nan 0.000 0.431 599 A N -1.371 121.572 122.820 0.204 0.000 1.892 599 A HA -0.347 3.973 4.320 0.002 0.000 0.218 599 A C 2.344 179.916 177.584 -0.020 0.000 1.188 599 A CA 2.123 54.173 52.037 0.021 0.000 0.631 599 A CB -1.412 17.237 19.000 -0.584 0.000 0.822 599 A HN 0.654 nan 8.150 nan 0.000 0.447 600 Y N 0.562 120.767 120.300 -0.159 0.000 2.151 600 Y HA -0.207 4.344 4.550 0.002 0.000 0.284 600 Y C 2.310 178.168 175.900 -0.069 0.000 1.166 600 Y CA 2.021 60.051 58.100 -0.116 0.000 1.163 600 Y CB -0.313 38.081 38.460 -0.111 0.000 0.974 600 Y HN 0.068 nan 8.280 nan 0.000 0.511 601 V N -0.044 119.903 119.914 0.055 0.000 2.515 601 V HA -0.239 3.882 4.120 0.002 0.000 0.250 601 V C 2.487 178.533 176.094 -0.081 0.000 1.058 601 V CA 1.808 64.091 62.300 -0.028 0.000 1.064 601 V CB -1.355 30.461 31.823 -0.011 0.000 0.675 601 V HN 0.640 nan 8.190 nan 0.000 0.461 602 G N -0.500 108.277 108.800 -0.039 0.000 2.404 602 G HA2 -0.160 3.801 3.960 0.002 0.000 0.214 602 G HA3 -0.160 3.801 3.960 0.002 0.000 0.214 602 G C 1.691 176.551 174.900 -0.066 0.000 1.189 602 G CA 0.979 46.067 45.100 -0.021 0.000 0.789 602 G HN 0.316 nan 8.290 nan 0.000 0.533 603 V N 2.016 121.868 119.914 -0.104 0.000 2.282 603 V HA -0.215 3.906 4.120 0.002 0.000 0.249 603 V C 3.164 179.158 176.094 -0.166 0.000 1.057 603 V CA 2.428 64.651 62.300 -0.128 0.000 1.032 603 V CB -1.027 30.707 31.823 -0.149 0.000 0.645 603 V HN 0.647 nan 8.190 nan 0.000 0.447 604 T N -2.031 112.364 114.554 -0.265 0.000 3.308 604 T HA -0.052 4.299 4.350 0.002 0.000 0.255 604 T C 1.492 176.106 174.700 -0.144 0.000 1.162 604 T CA 0.439 62.384 62.100 -0.258 0.000 1.031 604 T CB -0.301 68.318 68.868 -0.415 0.000 0.973 604 T HN 0.373 nan 8.240 nan 0.000 0.544 605 R N 0.531 120.979 120.500 -0.086 0.000 2.290 605 R HA 0.457 4.798 4.340 0.002 0.000 0.197 605 R C 1.091 177.406 176.300 0.026 0.000 0.913 605 R CA 0.286 56.380 56.100 -0.009 0.000 1.040 605 R CB -0.040 30.293 30.300 0.056 0.000 0.992 605 R HN 0.528 nan 8.270 nan 0.000 0.500 606 A N 0.874 123.678 122.820 -0.027 0.000 2.322 606 A HA 0.433 4.754 4.320 0.002 0.000 0.269 606 A C 1.090 178.646 177.584 -0.047 0.000 1.094 606 A CA -0.194 51.820 52.037 -0.037 0.000 0.807 606 A CB 0.668 19.617 19.000 -0.085 0.000 1.047 606 A HN 0.036 nan 8.150 nan 0.000 0.487 607 M N 0.027 119.604 119.600 -0.040 0.000 2.969 607 M HA 0.032 4.513 4.480 0.002 0.000 0.234 607 M C 2.026 178.310 176.300 -0.027 0.000 1.409 607 M CA 0.683 55.965 55.300 -0.031 0.000 1.314 607 M CB -0.471 32.122 32.600 -0.012 0.000 1.130 607 M HN 0.889 nan 8.290 nan 0.000 0.558 608 Q N 0.512 120.299 119.800 -0.022 0.000 2.019 608 Q HA 0.039 4.380 4.340 0.002 0.000 0.195 608 Q C 0.445 176.423 176.000 -0.037 0.000 0.981 608 Q CA 0.892 56.693 55.803 -0.003 0.000 0.832 608 Q CB 0.312 29.081 28.738 0.053 0.000 0.902 608 Q HN 0.008 nan 8.270 nan 0.000 0.461 609 K N 0.713 121.059 120.400 -0.089 0.000 2.244 609 K HA 0.380 4.701 4.320 0.002 0.000 0.260 609 K C -1.798 174.674 176.600 -0.212 0.000 0.951 609 K CA -0.545 55.666 56.287 -0.127 0.000 0.826 609 K CB 1.383 33.806 32.500 -0.129 0.000 1.108 609 K HN 0.010 nan 8.250 nan 0.000 0.433 610 L N 3.138 124.260 121.223 -0.168 0.000 2.333 610 L HA 0.620 4.961 4.340 0.002 0.000 0.280 610 L C -1.266 175.501 176.870 -0.171 0.000 1.004 610 L CA 0.261 54.988 54.840 -0.188 0.000 0.820 610 L CB 1.897 43.892 42.059 -0.108 0.000 1.247 610 L HN 0.697 nan 8.230 nan 0.000 0.416 611 T N 6.289 120.697 114.554 -0.243 0.000 2.807 611 T HA 0.634 4.985 4.350 0.002 0.000 0.279 611 T C -0.494 174.256 174.700 0.083 0.000 0.993 611 T CA -0.359 61.703 62.100 -0.064 0.000 0.970 611 T CB 1.173 69.998 68.868 -0.071 0.000 0.950 611 T HN 0.500 nan 8.240 nan 0.000 0.441 612 L N 3.533 124.842 121.223 0.142 0.000 2.333 612 L HA 0.700 5.041 4.340 0.002 0.000 0.280 612 L C 0.560 177.554 176.870 0.206 0.000 1.004 612 L CA -0.781 54.163 54.840 0.174 0.000 0.820 612 L CB 1.931 44.072 42.059 0.137 0.000 1.247 612 L HN 0.793 nan 8.230 nan 0.000 0.416 613 T N -0.507 114.185 114.554 0.230 0.000 2.907 613 T HA 0.809 5.160 4.350 0.002 0.000 0.290 613 T C -1.133 173.690 174.700 0.206 0.000 1.066 613 T CA -0.696 61.489 62.100 0.142 0.000 1.012 613 T CB 2.230 71.230 68.868 0.221 0.000 1.184 613 T HN 0.521 nan 8.240 nan 0.000 0.522 614 Y N -1.322 118.990 120.300 0.021 0.000 2.393 614 Y HA 0.709 5.260 4.550 0.002 0.000 0.320 614 Y C -0.910 174.965 175.900 -0.042 0.000 1.241 614 Y CA -1.541 56.564 58.100 0.008 0.000 1.122 614 Y CB 0.354 38.813 38.460 -0.000 0.000 1.322 614 Y HN 1.023 nan 8.280 nan 0.000 0.441 615 A N 3.005 125.913 122.820 0.146 0.000 2.302 615 A HA 0.525 4.846 4.320 0.002 0.000 0.285 615 A C 0.626 178.272 177.584 0.103 0.000 1.105 615 A CA -0.363 51.696 52.037 0.037 0.000 0.816 615 A CB 0.628 19.614 19.000 -0.022 0.000 1.067 615 A HN 0.948 nan 8.150 nan 0.000 0.489 616 E N -0.317 119.903 120.200 0.034 0.000 2.170 616 E HA -0.002 4.349 4.350 0.002 0.000 0.191 616 E C 0.400 176.972 176.600 -0.047 0.000 0.981 616 E CA 1.264 57.705 56.400 0.068 0.000 0.830 616 E CB 0.202 29.977 29.700 0.126 0.000 0.775 616 E HN 0.667 nan 8.360 nan 0.000 0.470 617 T N 0.029 114.454 114.554 -0.215 0.000 2.916 617 T HA 0.498 4.849 4.350 0.002 0.000 0.305 617 T C -1.482 172.975 174.700 -0.405 0.000 1.119 617 T CA -0.925 60.927 62.100 -0.413 0.000 1.008 617 T CB 1.673 70.249 68.868 -0.486 0.000 1.129 617 T HN 0.190 nan 8.240 nan 0.000 0.480 618 R N 1.992 122.220 120.500 -0.453 0.000 2.710 618 R HA 0.602 4.943 4.340 0.002 0.000 0.270 618 R C -1.186 174.909 176.300 -0.342 0.000 1.021 618 R CA -1.282 54.622 56.100 -0.325 0.000 0.889 618 R CB 1.404 31.572 30.300 -0.220 0.000 1.243 618 R HN 0.650 nan 8.270 nan 0.000 0.464 619 R N 1.877 122.229 120.500 -0.246 0.000 2.265 619 R HA 0.391 4.732 4.340 0.002 0.000 0.314 619 R C -1.196 174.979 176.300 -0.209 0.000 1.053 619 R CA -0.553 55.419 56.100 -0.213 0.000 0.931 619 R CB 0.874 31.088 30.300 -0.144 0.000 1.024 619 R HN 0.678 nan 8.270 nan 0.000 0.457 620 L N 6.883 127.957 121.223 -0.249 0.000 2.345 620 L HA 0.290 4.631 4.340 0.002 0.000 0.274 620 L C -1.195 175.472 176.870 -0.339 0.000 0.999 620 L CA -0.768 53.836 54.840 -0.394 0.000 0.849 620 L CB 0.669 42.426 42.059 -0.503 0.000 1.220 620 L HN 0.763 nan 8.230 nan 0.000 0.422 621 Y N 3.886 124.153 120.300 -0.054 0.000 2.801 621 Y HA -0.002 4.549 4.550 0.001 0.000 0.172 621 Y C 0.978 176.851 175.900 -0.045 0.000 1.645 621 Y CA 0.415 58.486 58.100 -0.047 0.000 1.133 621 Y CB -1.987 36.449 38.460 -0.039 0.000 1.724 621 Y HN 1.041 nan 8.280 nan 0.000 0.307 622 G N 1.437 110.312 108.800 0.124 0.000 4.890 622 G HA2 -0.310 3.651 3.960 0.002 0.000 0.221 622 G HA3 -0.310 3.651 3.960 0.002 0.000 0.221 622 G C 0.488 175.399 174.900 0.018 0.000 1.472 622 G CA 0.184 45.322 45.100 0.065 0.000 0.962 622 G HN 0.776 nan 8.290 nan 0.000 0.671 623 K N 1.270 121.681 120.400 0.019 0.000 2.118 623 K HA 0.541 4.862 4.320 0.002 0.000 0.240 623 K C -0.130 176.400 176.600 -0.117 0.000 1.035 623 K CA -0.162 56.105 56.287 -0.033 0.000 0.899 623 K CB 0.867 33.360 32.500 -0.012 0.000 1.085 623 K HN 0.368 nan 8.250 nan 0.000 0.498 624 E N 0.815 120.920 120.200 -0.157 0.000 2.179 624 E HA 0.295 4.646 4.350 0.002 0.000 0.275 624 E C -1.387 174.928 176.600 -0.475 0.000 0.945 624 E CA -0.747 55.461 56.400 -0.320 0.000 0.792 624 E CB 1.350 30.879 29.700 -0.285 0.000 1.125 624 E HN 0.348 nan 8.360 nan 0.000 0.397 625 V N 1.066 120.553 119.914 -0.712 0.000 3.102 625 V HA 0.690 4.811 4.120 0.002 0.000 0.312 625 V C -1.445 173.977 176.094 -1.121 0.000 1.135 625 V CA -0.882 60.979 62.300 -0.733 0.000 1.022 625 V CB 1.565 33.089 31.823 -0.497 0.000 1.056 625 V HN 0.626 nan 8.190 nan 0.000 0.436 626 Y N 1.634 121.727 120.300 -0.345 0.000 2.349 626 Y HA 0.730 5.280 4.550 0.001 0.000 0.324 626 Y C 0.127 175.900 175.900 -0.212 0.000 1.005 626 Y CA -0.657 57.281 58.100 -0.269 0.000 1.240 626 Y CB 0.967 39.349 38.460 -0.130 0.000 1.117 626 Y HN 0.726 nan 8.280 nan 0.000 0.463 627 H N 1.310 120.397 119.070 0.028 0.000 2.570 627 H HA 0.611 5.168 4.556 0.002 0.000 0.342 627 H C -0.400 174.919 175.328 -0.016 0.000 1.245 627 H CA -1.071 54.972 56.048 -0.008 0.000 1.318 627 H CB 1.553 31.285 29.762 -0.050 0.000 1.694 627 H HN 0.559 nan 8.280 nan 0.000 0.592 628 R N 0.522 121.073 120.500 0.085 0.000 2.668 628 R HA 0.327 4.668 4.340 0.002 0.000 0.279 628 R C -2.444 173.751 176.300 -0.175 0.000 0.976 628 R CA -1.843 54.234 56.100 -0.037 0.000 0.978 628 R CB 1.154 31.426 30.300 -0.047 0.000 1.133 628 R HN 0.357 nan 8.270 nan 0.000 0.484 629 P HA -0.067 nan 4.420 nan 0.000 0.267 629 P C -0.820 176.237 177.300 -0.405 0.000 1.195 629 P CA 0.340 63.045 63.100 -0.658 0.000 0.773 629 P CB 0.492 31.653 31.700 -0.897 0.000 0.837 630 S N 1.716 117.179 115.700 -0.395 0.000 2.562 630 S HA 0.014 4.485 4.470 0.002 0.000 0.281 630 S C 1.654 176.056 174.600 -0.330 0.000 1.333 630 S CA -0.484 57.483 58.200 -0.390 0.000 1.052 630 S CB 0.319 63.258 63.200 -0.436 0.000 0.884 630 S HN 0.493 nan 8.310 nan 0.000 0.506 631 R N 1.207 121.488 120.500 -0.367 0.000 2.159 631 R HA -0.140 4.201 4.340 0.002 0.000 0.237 631 R C 0.928 177.195 176.300 -0.054 0.000 1.131 631 R CA 1.566 57.542 56.100 -0.206 0.000 0.982 631 R CB -0.627 29.551 30.300 -0.202 0.000 0.868 631 R HN 0.514 nan 8.270 nan 0.000 0.453 632 F N 2.253 122.103 119.950 -0.167 0.000 2.120 632 F HA -0.160 4.368 4.527 0.001 0.000 0.300 632 F C 2.452 178.177 175.800 -0.125 0.000 1.095 632 F CA 0.167 58.068 58.000 -0.166 0.000 1.249 632 F CB -0.641 38.191 39.000 -0.280 0.000 0.995 632 F HN -0.068 nan 8.300 nan 0.000 0.480 633 I N 0.012 120.614 120.570 0.054 0.000 2.151 633 I HA -0.259 3.912 4.170 0.002 0.000 0.243 633 I C 2.725 178.856 176.117 0.023 0.000 1.080 633 I CA 1.667 62.981 61.300 0.023 0.000 1.339 633 I CB -2.005 35.982 38.000 -0.022 0.000 1.039 633 I HN 0.178 nan 8.210 nan 0.000 0.409 634 G N 1.034 109.837 108.800 0.003 0.000 2.511 634 G HA2 -0.265 3.696 3.960 0.002 0.000 0.216 634 G HA3 -0.265 3.696 3.960 0.002 0.000 0.216 634 G C 1.409 176.324 174.900 0.025 0.000 1.218 634 G CA 0.682 45.786 45.100 0.007 0.000 0.788 634 G HN 0.465 nan 8.290 nan 0.000 0.560 635 E N 0.051 120.277 120.200 0.043 0.000 2.401 635 E HA -0.075 4.276 4.350 0.002 0.000 0.204 635 E C 0.483 177.099 176.600 0.027 0.000 1.036 635 E CA -0.127 56.298 56.400 0.042 0.000 0.856 635 E CB -0.209 29.532 29.700 0.068 0.000 0.770 635 E HN 0.345 nan 8.360 nan 0.000 0.527 636 L N 1.985 123.223 121.223 0.025 0.000 2.319 636 L HA 0.201 4.542 4.340 0.002 0.000 0.280 636 L C -2.106 174.776 176.870 0.019 0.000 1.099 636 L CA -2.189 52.662 54.840 0.018 0.000 0.828 636 L CB 0.217 42.287 42.059 0.018 0.000 1.150 636 L HN -0.269 nan 8.230 nan 0.000 0.442 637 P HA -0.065 nan 4.420 nan 0.000 0.262 637 P C 0.548 177.859 177.300 0.017 0.000 1.182 637 P CA 0.209 63.319 63.100 0.017 0.000 0.761 637 P CB 0.611 32.320 31.700 0.016 0.000 0.795 638 E N 2.453 122.664 120.200 0.017 0.000 2.097 638 E HA -0.287 4.064 4.350 0.002 0.000 0.196 638 E C 1.018 177.629 176.600 0.018 0.000 1.000 638 E CA 1.504 57.915 56.400 0.018 0.000 0.804 638 E CB 0.004 29.713 29.700 0.016 0.000 0.740 638 E HN 0.458 nan 8.360 nan 0.000 0.454 639 E N -0.610 119.599 120.200 0.016 0.000 2.333 639 E HA -0.203 4.148 4.350 0.002 0.000 0.200 639 E C 1.836 178.446 176.600 0.017 0.000 1.010 639 E CA 1.389 57.799 56.400 0.016 0.000 0.841 639 E CB -0.286 29.422 29.700 0.014 0.000 0.757 639 E HN 0.495 nan 8.360 nan 0.000 0.508 640 C N -1.280 118.030 119.300 0.017 0.000 2.926 640 C HA 0.373 4.834 4.460 0.002 0.000 0.272 640 C C 0.694 175.695 174.990 0.018 0.000 1.249 640 C CA -0.919 58.108 59.018 0.015 0.000 1.691 640 C CB -0.699 27.048 27.740 0.011 0.000 1.983 640 C HN -0.038 nan 8.230 nan 0.000 0.615 641 V N 2.127 122.055 119.914 0.023 0.000 2.513 641 V HA 0.478 4.599 4.120 0.002 0.000 0.299 641 V C -0.393 175.722 176.094 0.035 0.000 1.035 641 V CA -0.153 62.166 62.300 0.031 0.000 0.889 641 V CB 1.745 33.590 31.823 0.036 0.000 0.988 641 V HN 0.472 nan 8.190 nan 0.000 0.440 642 E N 3.237 123.462 120.200 0.041 0.000 2.216 642 E HA 0.370 4.721 4.350 0.002 0.000 0.260 642 E C -0.297 176.336 176.600 0.054 0.000 0.880 642 E CA -0.551 55.875 56.400 0.044 0.000 0.765 642 E CB 1.925 31.651 29.700 0.044 0.000 1.174 642 E HN 0.745 nan 8.360 nan 0.000 0.417 643 E N 2.168 122.396 120.200 0.047 0.000 2.589 643 E HA -0.012 4.339 4.350 0.002 0.000 0.266 643 E C -0.837 175.800 176.600 0.062 0.000 1.387 643 E CA 0.316 56.741 56.400 0.042 0.000 1.155 643 E CB 0.602 30.318 29.700 0.027 0.000 0.967 643 E HN 0.276 nan 8.360 nan 0.000 0.529 644 V N 2.299 122.250 119.914 0.061 0.000 3.557 644 V HA 0.149 4.270 4.120 0.002 0.000 0.335 644 V C -0.900 175.265 176.094 0.119 0.000 1.061 644 V CA -0.404 61.967 62.300 0.117 0.000 1.507 644 V CB 0.402 32.343 31.823 0.198 0.000 0.821 644 V HN 0.558 nan 8.190 nan 0.000 0.496 645 R N 2.152 122.695 120.500 0.073 0.000 2.357 645 R HA 0.490 4.831 4.340 0.002 0.000 0.330 645 R C 0.532 176.893 176.300 0.102 0.000 1.102 645 R CA 0.056 56.191 56.100 0.059 0.000 0.974 645 R CB 0.541 30.858 30.300 0.027 0.000 1.002 645 R HN 0.587 nan 8.270 nan 0.000 0.463 646 L N 0.000 121.322 121.223 0.165 0.000 2.949 646 L HA 0.000 4.341 4.340 0.002 0.000 0.249 646 L CA 0.000 54.939 54.840 0.165 0.000 0.813 646 L CB 0.000 42.200 42.059 0.234 0.000 0.961 646 L HN 0.000 nan 8.230 nan 0.000 0.502