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 2w93_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEITLGKYLF ERLKQVNVNT VFGLPGDFNL SLLDKIYEVE GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARIKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSISSQAKQL LLHHTLGNGD FTVFHRMSAN ISETTAMITD IATAPAEIDR DATA SEQUENCE CIRTTYVTQR PVYLGLPANL VDLNVPAKLL QTPIDMSLKP NDAESEKEVI DATA SEQUENCE DTILALVKDA KNPVILADAC CSRHDVKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE IDEQHPRYGG VYVGTLSKPE VKEAVESADL ILSVGALXXX XXXXXXXXXX DATA SEQUENCE XTKNIVEFHS DHMKIRNATF PGVQMKFVLQ KLLTNIADAA KGYKPVAVPA DATA SEQUENCE RTPANAAVPA STPLKQEWMW NQLGNFLQEG DVVIAETGTS AFGINQTTFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIQKLIH GPKAQYNEIQ GWDHLSLLPT DATA SEQUENCE FGAKDYETHR VATTGEWDKL TQDKSFNDNS KIRMIEVMLP VFDAPQNLVE DATA SEQUENCE QAKLTAAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.613 174.600 0.021 0.000 1.055 2 S CA 0.000 58.210 58.200 0.016 0.000 1.107 2 S CB 0.000 63.211 63.200 0.018 0.000 0.593 3 E N 0.870 121.083 120.200 0.021 0.000 2.277 3 E HA 0.728 5.052 4.350 -0.043 0.000 0.266 3 E C -1.129 175.492 176.600 0.034 0.000 0.901 3 E CA -0.864 55.549 56.400 0.022 0.000 0.782 3 E CB 2.484 32.191 29.700 0.011 0.000 1.228 3 E HN 0.638 nan 8.360 nan 0.000 0.424 4 I N 0.693 121.289 120.570 0.044 0.000 2.894 4 I HA 0.270 4.414 4.170 -0.043 0.000 0.302 4 I C -0.356 175.793 176.117 0.053 0.000 1.188 4 I CA -0.528 60.809 61.300 0.061 0.000 1.014 4 I CB 2.268 40.327 38.000 0.098 0.000 1.242 4 I HN 0.625 nan 8.210 nan 0.000 0.430 5 T N 3.196 117.782 114.554 0.054 0.000 2.900 5 T HA 0.102 4.426 4.350 -0.043 0.000 0.307 5 T C 0.972 175.704 174.700 0.053 0.000 1.065 5 T CA -0.445 61.678 62.100 0.038 0.000 1.105 5 T CB 1.191 70.082 68.868 0.038 0.000 0.979 5 T HN 0.597 nan 8.240 nan 0.000 0.544 6 L N 2.868 124.094 121.223 0.005 0.000 2.042 6 L HA 0.128 4.442 4.340 -0.043 0.000 0.210 6 L C 2.534 179.422 176.870 0.029 0.000 1.076 6 L CA 2.522 57.352 54.840 -0.016 0.000 0.749 6 L CB -1.373 40.643 42.059 -0.072 0.000 0.893 6 L HN 0.974 nan 8.230 nan 0.000 0.432 7 G N -0.862 107.949 108.800 0.018 0.000 2.446 7 G HA2 -0.355 3.579 3.960 -0.043 0.000 0.217 7 G HA3 -0.355 3.579 3.960 -0.043 0.000 0.217 7 G C 1.741 176.686 174.900 0.074 0.000 1.168 7 G CA 0.935 46.046 45.100 0.018 0.000 0.771 7 G HN 0.435 nan 8.290 nan 0.000 0.551 8 K N -0.754 119.727 120.400 0.136 0.000 2.148 8 K HA -0.111 4.184 4.320 -0.043 0.000 0.204 8 K C 2.133 178.807 176.600 0.123 0.000 1.050 8 K CA 0.903 57.297 56.287 0.178 0.000 0.942 8 K CB -0.300 32.276 32.500 0.126 0.000 0.724 8 K HN 0.387 nan 8.250 nan 0.000 0.446 9 Y N 1.521 121.807 120.300 -0.023 0.000 2.114 9 Y HA -0.311 4.213 4.550 -0.043 0.000 0.282 9 Y C 1.982 177.817 175.900 -0.108 0.000 1.165 9 Y CA 1.714 59.785 58.100 -0.049 0.000 1.148 9 Y CB -0.472 37.957 38.460 -0.052 0.000 0.972 9 Y HN 0.099 nan 8.280 nan 0.000 0.504 10 L N -0.322 120.883 121.223 -0.031 0.000 1.997 10 L HA -0.271 4.044 4.340 -0.043 0.000 0.216 10 L C 2.018 178.636 176.870 -0.420 0.000 1.074 10 L CA 2.133 56.789 54.840 -0.306 0.000 0.763 10 L CB -1.156 40.561 42.059 -0.570 0.000 0.890 10 L HN 0.244 nan 8.230 nan 0.000 0.434 11 F N -0.233 119.680 119.950 -0.061 0.000 2.259 11 F HA -0.062 4.440 4.527 -0.042 0.000 0.298 11 F C 2.494 178.230 175.800 -0.105 0.000 1.088 11 F CA 0.880 58.831 58.000 -0.083 0.000 1.358 11 F CB -0.725 38.224 39.000 -0.084 0.000 1.040 11 F HN 0.128 nan 8.300 nan 0.000 0.505 12 E N 0.303 120.501 120.200 -0.005 0.000 2.077 12 E HA -0.153 4.171 4.350 -0.043 0.000 0.193 12 E C 2.391 178.899 176.600 -0.153 0.000 0.989 12 E CA 0.766 57.117 56.400 -0.081 0.000 0.800 12 E CB -0.238 29.386 29.700 -0.126 0.000 0.746 12 E HN 0.270 nan 8.360 nan 0.000 0.452 13 R N 0.588 120.926 120.500 -0.270 0.000 2.081 13 R HA -0.025 4.290 4.340 -0.043 0.000 0.235 13 R C 2.624 178.848 176.300 -0.127 0.000 1.131 13 R CA 0.572 56.524 56.100 -0.247 0.000 0.960 13 R CB -0.974 29.140 30.300 -0.310 0.000 0.856 13 R HN 0.245 nan 8.270 nan 0.000 0.436 14 L N 0.729 121.899 121.223 -0.088 0.000 2.046 14 L HA -0.179 4.135 4.340 -0.043 0.000 0.208 14 L C 2.670 179.533 176.870 -0.012 0.000 1.077 14 L CA 1.448 56.273 54.840 -0.025 0.000 0.747 14 L CB -0.452 41.625 42.059 0.031 0.000 0.896 14 L HN 0.178 nan 8.230 nan 0.000 0.432 15 K N 0.151 120.548 120.400 -0.005 0.000 2.044 15 K HA -0.260 4.035 4.320 -0.043 0.000 0.210 15 K C 2.124 178.706 176.600 -0.031 0.000 1.049 15 K CA 1.730 58.012 56.287 -0.009 0.000 0.927 15 K CB -0.061 32.435 32.500 -0.006 0.000 0.713 15 K HN 0.343 nan 8.250 nan 0.000 0.443 16 Q N -0.090 119.678 119.800 -0.054 0.000 2.226 16 Q HA -0.111 4.203 4.340 -0.043 0.000 0.204 16 Q C 1.664 177.622 176.000 -0.070 0.000 0.975 16 Q CA 1.513 57.279 55.803 -0.062 0.000 0.866 16 Q CB 0.126 28.816 28.738 -0.079 0.000 0.915 16 Q HN 0.378 nan 8.270 nan 0.000 0.440 17 V N -2.524 117.343 119.914 -0.078 0.000 3.342 17 V HA 0.269 4.363 4.120 -0.043 0.000 0.322 17 V C 0.116 176.156 176.094 -0.091 0.000 1.370 17 V CA 0.203 62.433 62.300 -0.116 0.000 1.170 17 V CB -0.145 31.593 31.823 -0.142 0.000 1.101 17 V HN 0.377 nan 8.190 nan 0.000 0.442 18 N N -0.539 118.136 118.700 -0.042 0.000 2.869 18 N HA -0.156 4.558 4.740 -0.043 0.000 0.249 18 N C -0.435 175.115 175.510 0.066 0.000 1.104 18 N CA 1.002 54.047 53.050 -0.008 0.000 0.760 18 N CB -1.619 36.844 38.487 -0.041 0.000 1.108 18 N HN 0.513 nan 8.380 nan 0.000 0.555 19 V N 1.326 121.286 119.914 0.076 0.000 2.318 19 V HA 0.319 4.413 4.120 -0.043 0.000 0.271 19 V C 0.943 177.066 176.094 0.048 0.000 1.030 19 V CA -0.277 62.110 62.300 0.146 0.000 0.844 19 V CB 1.300 33.181 31.823 0.097 0.000 1.015 19 V HN 0.301 nan 8.190 nan 0.000 0.460 20 N N 1.969 120.701 118.700 0.054 0.000 2.210 20 N HA 0.110 4.824 4.740 -0.043 0.000 0.203 20 N C 0.107 175.454 175.510 -0.272 0.000 1.175 20 N CA 0.037 53.050 53.050 -0.062 0.000 0.894 20 N CB 0.912 39.401 38.487 0.003 0.000 1.041 20 N HN 0.582 nan 8.380 nan 0.000 0.506 21 T N 0.603 114.841 114.554 -0.526 0.000 2.841 21 T HA 0.513 4.837 4.350 -0.043 0.000 0.283 21 T C -0.742 173.303 174.700 -1.092 0.000 1.000 21 T CA -0.502 60.995 62.100 -1.006 0.000 0.977 21 T CB 2.505 70.487 68.868 -1.477 0.000 0.979 21 T HN -0.333 nan 8.240 nan 0.000 0.446 22 V N 4.075 123.421 119.914 -0.946 0.000 2.448 22 V HA 0.553 4.647 4.120 -0.043 0.000 0.295 22 V C -0.749 174.788 176.094 -0.929 0.000 1.025 22 V CA -0.866 61.072 62.300 -0.605 0.000 0.859 22 V CB 0.892 32.692 31.823 -0.038 0.000 0.988 22 V HN 0.749 nan 8.190 nan 0.000 0.431 23 F N 2.183 121.883 119.950 -0.416 0.000 2.380 23 F HA 0.924 5.425 4.527 -0.043 0.000 0.319 23 F C 1.038 176.544 175.800 -0.490 0.000 1.113 23 F CA 0.640 58.329 58.000 -0.519 0.000 1.056 23 F CB 1.531 40.340 39.000 -0.318 0.000 1.289 23 F HN 0.820 nan 8.300 nan 0.000 0.515 24 G N 0.080 108.704 108.800 -0.294 0.000 2.343 24 G HA2 0.256 4.190 3.960 -0.043 0.000 0.562 24 G HA3 0.256 4.190 3.960 -0.043 0.000 0.562 24 G C -2.342 172.549 174.900 -0.014 0.000 1.269 24 G CA -1.188 43.883 45.100 -0.049 0.000 1.011 24 G HN 0.553 nan 8.290 nan 0.000 0.498 25 L N 1.459 122.882 121.223 0.334 0.000 2.371 25 L HA 0.732 5.047 4.340 -0.043 0.000 0.262 25 L C -1.962 175.202 176.870 0.490 0.000 1.006 25 L CA -1.622 53.483 54.840 0.442 0.000 0.818 25 L CB 2.644 44.831 42.059 0.215 0.000 1.354 25 L HN 0.561 nan 8.230 nan 0.000 0.415 26 P HA 0.451 nan 4.420 nan 0.000 0.274 26 P C -0.772 176.622 177.300 0.156 0.000 1.237 26 P CA -0.235 62.972 63.100 0.177 0.000 0.793 26 P CB 1.388 33.146 31.700 0.096 0.000 0.977 27 G N 0.366 109.242 108.800 0.127 0.000 2.660 27 G HA2 0.289 4.223 3.960 -0.043 0.000 0.290 27 G HA3 0.289 4.223 3.960 -0.043 0.000 0.290 27 G C 0.396 175.337 174.900 0.068 0.000 1.432 27 G CA -0.476 44.707 45.100 0.137 0.000 0.807 27 G HN 0.448 nan 8.290 nan 0.000 0.485 28 D N -0.244 120.135 120.400 -0.035 0.000 2.158 28 D HA -0.188 4.426 4.640 -0.043 0.000 0.197 28 D C 1.511 177.767 176.300 -0.073 0.000 0.995 28 D CA 1.381 55.298 54.000 -0.137 0.000 0.846 28 D CB -0.212 40.425 40.800 -0.271 0.000 0.941 28 D HN 0.211 nan 8.370 nan 0.000 0.456 29 F N 1.299 121.342 119.950 0.155 0.000 2.604 29 F HA 0.030 4.534 4.527 -0.039 0.000 0.298 29 F C 1.485 177.326 175.800 0.068 0.000 1.131 29 F CA 0.963 59.025 58.000 0.103 0.000 1.457 29 F CB -0.622 38.465 39.000 0.145 0.000 1.095 29 F HN 0.183 nan 8.300 nan 0.000 0.574 30 N N -0.910 117.915 118.700 0.208 0.000 2.159 30 N HA 0.049 4.763 4.740 -0.043 0.000 0.217 30 N C 1.031 176.545 175.510 0.007 0.000 1.223 30 N CA 0.186 53.299 53.050 0.106 0.000 0.896 30 N CB -0.855 37.699 38.487 0.112 0.000 1.064 30 N HN 0.215 nan 8.380 nan 0.000 0.518 31 L N -0.487 120.735 121.223 -0.002 0.000 2.046 31 L HA -0.051 4.263 4.340 -0.043 0.000 0.208 31 L C 2.335 179.170 176.870 -0.058 0.000 1.077 31 L CA 1.405 56.211 54.840 -0.057 0.000 0.747 31 L CB -0.673 41.363 42.059 -0.038 0.000 0.896 31 L HN 0.272 nan 8.230 nan 0.000 0.432 32 S N 0.199 115.890 115.700 -0.016 0.000 2.382 32 S HA -0.180 4.264 4.470 -0.043 0.000 0.228 32 S C 1.921 176.517 174.600 -0.007 0.000 1.027 32 S CA 1.219 59.414 58.200 -0.008 0.000 0.991 32 S CB -0.213 62.993 63.200 0.010 0.000 0.823 32 S HN 0.279 nan 8.310 nan 0.000 0.469 33 L N 1.779 123.006 121.223 0.007 0.000 2.017 33 L HA 0.020 4.335 4.340 -0.043 0.000 0.208 33 L C 2.065 178.955 176.870 0.034 0.000 1.073 33 L CA 1.776 56.652 54.840 0.059 0.000 0.745 33 L CB -0.683 41.415 42.059 0.064 0.000 0.894 33 L HN 0.374 nan 8.230 nan 0.000 0.432 34 L N -0.780 120.344 121.223 -0.165 0.000 2.131 34 L HA -0.207 4.107 4.340 -0.043 0.000 0.210 34 L C 2.189 178.732 176.870 -0.546 0.000 1.092 34 L CA 1.075 55.631 54.840 -0.474 0.000 0.759 34 L CB -0.990 40.645 42.059 -0.706 0.000 0.903 34 L HN 0.290 nan 8.230 nan 0.000 0.435 35 D N 0.422 120.658 120.400 -0.274 0.000 2.203 35 D HA -0.179 4.436 4.640 -0.043 0.000 0.199 35 D C 2.080 178.249 176.300 -0.218 0.000 0.997 35 D CA 1.095 55.001 54.000 -0.158 0.000 0.863 35 D CB -0.075 40.711 40.800 -0.024 0.000 0.928 35 D HN 0.216 nan 8.370 nan 0.000 0.458 36 K N 0.402 120.697 120.400 -0.175 0.000 2.283 36 K HA 0.007 4.301 4.320 -0.043 0.000 0.202 36 K C 2.264 178.681 176.600 -0.307 0.000 1.048 36 K CA 0.062 56.312 56.287 -0.062 0.000 0.948 36 K CB -0.200 32.429 32.500 0.215 0.000 0.742 36 K HN 0.326 nan 8.250 nan 0.000 0.458 37 I N 0.391 120.442 120.570 -0.866 0.000 2.208 37 I HA -0.300 3.844 4.170 -0.043 0.000 0.245 37 I C 1.623 177.429 176.117 -0.518 0.000 1.097 37 I CA 1.396 62.062 61.300 -1.058 0.000 1.363 37 I CB -0.403 36.840 38.000 -1.262 0.000 1.051 37 I HN 0.051 nan 8.210 nan 0.000 0.413 38 Y N 0.796 120.969 120.300 -0.212 0.000 2.571 38 Y HA -0.079 4.446 4.550 -0.042 0.000 0.294 38 Y C 2.099 177.957 175.900 -0.070 0.000 1.141 38 Y CA 0.365 58.398 58.100 -0.111 0.000 1.308 38 Y CB -0.823 37.585 38.460 -0.087 0.000 1.002 38 Y HN 0.281 nan 8.280 nan 0.000 0.551 39 E N -0.444 119.775 120.200 0.031 0.000 2.478 39 E HA 0.103 4.427 4.350 -0.043 0.000 0.194 39 E C -0.379 176.238 176.600 0.028 0.000 1.045 39 E CA 0.151 56.575 56.400 0.039 0.000 0.868 39 E CB 0.452 30.175 29.700 0.038 0.000 0.885 39 E HN 0.028 nan 8.360 nan 0.000 0.505 40 V N 2.246 122.163 119.914 0.005 0.000 2.350 40 V HA 0.088 4.183 4.120 -0.043 0.000 0.285 40 V C -0.083 176.015 176.094 0.007 0.000 1.014 40 V CA -0.821 61.485 62.300 0.011 0.000 0.831 40 V CB 1.431 33.269 31.823 0.025 0.000 1.000 40 V HN 0.107 nan 8.190 nan 0.000 0.433 41 E N 3.472 123.682 120.200 0.017 0.000 2.415 41 E HA 0.336 4.660 4.350 -0.043 0.000 0.263 41 E C 1.215 177.823 176.600 0.012 0.000 0.995 41 E CA 1.063 57.475 56.400 0.020 0.000 0.915 41 E CB 0.593 30.305 29.700 0.020 0.000 0.951 41 E HN 1.060 nan 8.360 nan 0.000 0.449 42 G N 3.928 112.737 108.800 0.015 0.000 2.175 42 G HA2 -0.187 3.747 3.960 -0.043 0.000 0.244 42 G HA3 -0.187 3.747 3.960 -0.043 0.000 0.244 42 G C -0.036 174.849 174.900 -0.024 0.000 0.982 42 G CA 0.210 45.312 45.100 0.004 0.000 0.641 42 G HN 0.416 nan 8.290 nan 0.000 0.527 43 M N 0.427 120.004 119.600 -0.038 0.000 2.364 43 M HA 0.630 5.085 4.480 -0.043 0.000 0.334 43 M C 0.450 176.683 176.300 -0.112 0.000 1.107 43 M CA -0.704 54.534 55.300 -0.103 0.000 0.988 43 M CB 1.638 34.158 32.600 -0.134 0.000 1.673 43 M HN 0.555 nan 8.290 nan 0.000 0.441 44 R N 1.053 121.430 120.500 -0.206 0.000 2.808 44 R HA 0.598 4.912 4.340 -0.043 0.000 0.272 44 R C -1.714 174.443 176.300 -0.238 0.000 0.995 44 R CA -0.891 55.117 56.100 -0.152 0.000 0.917 44 R CB 2.176 32.312 30.300 -0.274 0.000 1.217 44 R HN 0.821 nan 8.270 nan 0.000 0.471 45 W N 2.455 123.613 121.300 -0.236 0.000 2.376 45 W HA 0.414 5.047 4.660 -0.044 0.000 0.312 45 W C -0.102 176.340 176.519 -0.127 0.000 1.060 45 W CA -0.357 56.843 57.345 -0.242 0.000 1.221 45 W CB 1.947 31.354 29.460 -0.089 0.000 1.281 45 W HN 0.950 nan 8.180 nan 0.000 0.456 46 A N 4.387 126.673 122.820 -0.890 0.000 1.902 46 A HA 0.105 4.400 4.320 -0.043 0.000 0.217 46 A C 1.458 178.983 177.584 -0.099 0.000 1.181 46 A CA 1.647 53.320 52.037 -0.606 0.000 0.623 46 A CB -1.182 17.380 19.000 -0.730 0.000 0.818 46 A HN 1.549 nan 8.150 nan 0.000 0.443 47 G N -0.209 108.187 108.800 -0.673 0.000 2.470 47 G HA2 -0.210 3.724 3.960 -0.043 0.000 0.286 47 G HA3 -0.210 3.724 3.960 -0.043 0.000 0.286 47 G C -0.372 174.494 174.900 -0.057 0.000 1.115 47 G CA 0.161 45.150 45.100 -0.185 0.000 1.122 47 G HN 0.692 nan 8.290 nan 0.000 0.522 48 N N -0.393 118.214 118.700 -0.156 0.000 2.444 48 N HA 0.523 5.237 4.740 -0.043 0.000 0.255 48 N C 1.519 177.033 175.510 0.006 0.000 1.255 48 N CA 0.391 53.426 53.050 -0.026 0.000 0.933 48 N CB 0.726 39.196 38.487 -0.027 0.000 1.143 48 N HN 0.552 nan 8.380 nan 0.000 0.453 49 A N 0.741 123.560 122.820 -0.001 0.000 2.132 49 A HA 0.053 4.348 4.320 -0.043 0.000 0.213 49 A C 0.197 177.779 177.584 -0.003 0.000 1.154 49 A CA 0.827 52.852 52.037 -0.019 0.000 0.753 49 A CB -0.600 18.350 19.000 -0.084 0.000 0.826 49 A HN 0.859 nan 8.150 nan 0.000 0.469 50 N N -2.742 115.959 118.700 0.003 0.000 3.046 50 N HA 0.260 4.974 4.740 -0.043 0.000 0.243 50 N C -0.454 175.047 175.510 -0.014 0.000 1.452 50 N CA -0.365 52.688 53.050 0.005 0.000 0.882 50 N CB 0.280 38.773 38.487 0.009 0.000 1.425 50 N HN -0.168 nan 8.380 nan 0.000 0.517 51 E N -0.328 119.859 120.200 -0.022 0.000 2.152 51 E HA 0.047 4.371 4.350 -0.043 0.000 0.192 51 E C 1.391 177.917 176.600 -0.124 0.000 0.983 51 E CA 0.663 57.035 56.400 -0.047 0.000 0.818 51 E CB -0.113 29.573 29.700 -0.024 0.000 0.758 51 E HN 0.508 nan 8.360 nan 0.000 0.467 52 L N 1.167 122.302 121.223 -0.148 0.000 2.017 52 L HA -0.155 4.160 4.340 -0.043 0.000 0.208 52 L C 1.331 177.936 176.870 -0.441 0.000 1.073 52 L CA 1.764 56.414 54.840 -0.318 0.000 0.745 52 L CB -0.506 41.394 42.059 -0.264 0.000 0.894 52 L HN 0.036 nan 8.230 nan 0.000 0.432 53 N N 0.346 118.942 118.700 -0.172 0.000 2.166 53 N HA -0.123 4.592 4.740 -0.043 0.000 0.186 53 N C 1.859 177.345 175.510 -0.040 0.000 1.019 53 N CA 1.519 54.565 53.050 -0.007 0.000 0.856 53 N CB -0.601 37.921 38.487 0.058 0.000 0.993 53 N HN 0.537 nan 8.380 nan 0.000 0.426 54 A N 0.771 123.546 122.820 -0.076 0.000 1.933 54 A HA 0.017 4.311 4.320 -0.043 0.000 0.218 54 A C 2.321 179.809 177.584 -0.160 0.000 1.175 54 A CA 1.916 53.907 52.037 -0.075 0.000 0.628 54 A CB -0.758 18.221 19.000 -0.036 0.000 0.814 54 A HN 0.324 nan 8.150 nan 0.000 0.444 55 A N -1.419 121.292 122.820 -0.181 0.000 1.897 55 A HA 0.029 4.324 4.320 -0.043 0.000 0.215 55 A C 2.050 179.618 177.584 -0.028 0.000 1.181 55 A CA 1.359 53.293 52.037 -0.171 0.000 0.620 55 A CB -0.734 18.125 19.000 -0.235 0.000 0.821 55 A HN 0.509 nan 8.150 nan 0.000 0.443 56 Y N 0.126 120.419 120.300 -0.011 0.000 2.165 56 Y HA -0.149 4.376 4.550 -0.043 0.000 0.286 56 Y C 2.934 178.742 175.900 -0.153 0.000 1.155 56 Y CA 0.420 58.547 58.100 0.044 0.000 1.164 56 Y CB -1.140 37.336 38.460 0.027 0.000 0.978 56 Y HN 0.336 nan 8.280 nan 0.000 0.513 57 A N -0.132 122.606 122.820 -0.137 0.000 1.898 57 A HA -0.028 4.266 4.320 -0.043 0.000 0.216 57 A C 2.514 179.615 177.584 -0.804 0.000 1.181 57 A CA 1.663 53.423 52.037 -0.462 0.000 0.620 57 A CB -1.157 17.505 19.000 -0.563 0.000 0.819 57 A HN 0.360 nan 8.150 nan 0.000 0.442 58 A N -0.126 122.208 122.820 -0.811 0.000 1.978 58 A HA -0.226 4.068 4.320 -0.043 0.000 0.220 58 A C 1.940 179.466 177.584 -0.097 0.000 1.170 58 A CA 1.988 53.722 52.037 -0.505 0.000 0.636 58 A CB -0.536 18.361 19.000 -0.172 0.000 0.810 58 A HN 0.578 nan 8.150 nan 0.000 0.448 59 D N -0.289 120.110 120.400 -0.002 0.000 2.084 59 D HA -0.086 4.528 4.640 -0.043 0.000 0.196 59 D C 2.137 178.530 176.300 0.155 0.000 0.985 59 D CA 1.660 55.754 54.000 0.156 0.000 0.826 59 D CB -0.574 40.437 40.800 0.352 0.000 0.978 59 D HN 0.299 nan 8.370 nan 0.000 0.456 60 G N -0.530 108.319 108.800 0.081 0.000 2.476 60 G HA2 -0.336 3.599 3.960 -0.043 0.000 0.218 60 G HA3 -0.336 3.599 3.960 -0.043 0.000 0.218 60 G C 1.702 176.636 174.900 0.057 0.000 1.164 60 G CA 1.104 46.227 45.100 0.038 0.000 0.768 60 G HN 0.401 nan 8.290 nan 0.000 0.560 61 Y N 1.889 122.149 120.300 -0.067 0.000 2.145 61 Y HA -0.011 4.513 4.550 -0.043 0.000 0.286 61 Y C 2.972 178.890 175.900 0.031 0.000 1.145 61 Y CA 1.639 59.757 58.100 0.031 0.000 1.148 61 Y CB -0.313 38.240 38.460 0.155 0.000 0.981 61 Y HN 0.255 nan 8.280 nan 0.000 0.507 62 A N 0.430 123.383 122.820 0.221 0.000 1.933 62 A HA -0.192 4.103 4.320 -0.043 0.000 0.218 62 A C 2.258 179.857 177.584 0.025 0.000 1.175 62 A CA 1.724 53.849 52.037 0.145 0.000 0.628 62 A CB -0.607 18.492 19.000 0.166 0.000 0.814 62 A HN 0.539 nan 8.150 nan 0.000 0.444 63 R N -0.708 119.803 120.500 0.018 0.000 2.096 63 R HA -0.086 4.228 4.340 -0.043 0.000 0.235 63 R C 1.736 177.879 176.300 -0.263 0.000 1.127 63 R CA 1.500 57.593 56.100 -0.013 0.000 0.968 63 R CB -0.263 30.104 30.300 0.110 0.000 0.861 63 R HN 0.460 nan 8.270 nan 0.000 0.440 64 I N 0.037 120.401 120.570 -0.343 0.000 2.494 64 I HA -0.070 4.074 4.170 -0.043 0.000 0.250 64 I C 1.959 177.868 176.117 -0.348 0.000 1.112 64 I CA 1.137 62.143 61.300 -0.489 0.000 1.438 64 I CB -0.473 37.283 38.000 -0.406 0.000 1.111 64 I HN -0.028 nan 8.210 nan 0.000 0.431 65 K N 0.305 120.494 120.400 -0.352 0.000 2.242 65 K HA 0.177 4.471 4.320 -0.043 0.000 0.200 65 K C 1.354 177.889 176.600 -0.108 0.000 1.050 65 K CA 1.254 57.347 56.287 -0.322 0.000 0.981 65 K CB 0.365 32.468 32.500 -0.661 0.000 0.795 65 K HN 0.323 nan 8.250 nan 0.000 0.477 66 G N -0.397 108.394 108.800 -0.015 0.000 2.905 66 G HA2 -0.122 3.812 3.960 -0.043 0.000 0.196 66 G HA3 -0.122 3.812 3.960 -0.043 0.000 0.196 66 G C 0.035 175.096 174.900 0.269 0.000 1.044 66 G CA 0.096 45.298 45.100 0.170 0.000 0.778 66 G HN 0.346 nan 8.290 nan 0.000 0.474 67 M N -0.604 119.131 119.600 0.225 0.000 2.949 67 M HA 0.771 5.225 4.480 -0.043 0.000 0.270 67 M C -0.713 175.775 176.300 0.313 0.000 1.221 67 M CA -0.064 55.389 55.300 0.255 0.000 0.818 67 M CB 1.806 34.581 32.600 0.292 0.000 1.635 67 M HN 1.117 nan 8.290 nan 0.000 0.492 68 S N -0.008 115.854 115.700 0.270 0.000 2.671 68 S HA 0.855 5.299 4.470 -0.043 0.000 0.277 68 S C -1.590 173.110 174.600 0.166 0.000 1.165 68 S CA -0.725 57.644 58.200 0.282 0.000 0.822 68 S CB 1.773 65.169 63.200 0.326 0.000 1.150 68 S HN 1.308 nan 8.310 nan 0.000 0.479 69 C N 1.566 120.946 119.300 0.133 0.000 2.535 69 C HA 0.801 5.236 4.460 -0.043 0.000 0.319 69 C C -0.818 174.274 174.990 0.170 0.000 1.171 69 C CA -0.571 58.523 59.018 0.126 0.000 1.394 69 C CB -0.107 27.688 27.740 0.092 0.000 1.990 69 C HN 0.973 nan 8.230 nan 0.000 0.466 70 I N 6.767 127.437 120.570 0.166 0.000 2.474 70 I HA 0.657 4.801 4.170 -0.043 0.000 0.294 70 I C -1.108 175.159 176.117 0.250 0.000 1.005 70 I CA -0.860 60.543 61.300 0.172 0.000 1.113 70 I CB 1.334 39.358 38.000 0.039 0.000 1.289 70 I HN 0.667 nan 8.210 nan 0.000 0.436 71 I N 6.951 127.709 120.570 0.313 0.000 2.378 71 I HA 0.390 4.535 4.170 -0.043 0.000 0.291 71 I C 0.088 176.420 176.117 0.359 0.000 0.992 71 I CA -0.322 61.186 61.300 0.346 0.000 1.154 71 I CB 1.929 40.164 38.000 0.391 0.000 1.315 71 I HN 0.607 nan 8.210 nan 0.000 0.448 72 T N 0.559 115.298 114.554 0.308 0.000 2.883 72 T HA 0.461 4.786 4.350 -0.043 0.000 0.284 72 T C -0.269 174.567 174.700 0.228 0.000 1.041 72 T CA -0.726 61.540 62.100 0.276 0.000 1.007 72 T CB 2.079 71.134 68.868 0.311 0.000 1.220 72 T HN 0.429 nan 8.240 nan 0.000 0.552 73 T N 0.367 115.053 114.554 0.219 0.000 2.929 73 T HA 0.504 4.828 4.350 -0.043 0.000 0.284 73 T C -0.588 174.283 174.700 0.284 0.000 1.014 73 T CA -0.761 61.520 62.100 0.301 0.000 1.051 73 T CB 0.075 69.149 68.868 0.343 0.000 1.028 73 T HN 0.519 nan 8.240 nan 0.000 0.485 74 F N 3.882 123.977 119.950 0.241 0.000 2.604 74 F HA 0.298 4.798 4.527 -0.046 0.000 0.390 74 F C 1.430 177.232 175.800 0.004 0.000 1.053 74 F CA 1.921 60.002 58.000 0.134 0.000 1.256 74 F CB -0.343 38.679 39.000 0.036 0.000 0.996 74 F HN 0.939 nan 8.300 nan 0.000 0.564 75 G N 3.896 112.129 108.800 -0.945 0.000 4.766 75 G HA2 -0.383 3.551 3.960 -0.043 0.000 0.314 75 G HA3 -0.383 3.551 3.960 -0.043 0.000 0.314 75 G C 1.026 175.473 174.900 -0.755 0.000 1.427 75 G CA 1.157 45.401 45.100 -1.426 0.000 1.024 75 G HN 1.613 nan 8.290 nan 0.000 0.754 76 V N 0.035 119.648 119.914 -0.502 0.000 2.490 76 V HA 0.312 4.406 4.120 -0.043 0.000 0.250 76 V C 2.603 178.563 176.094 -0.224 0.000 1.061 76 V CA 2.697 64.778 62.300 -0.365 0.000 1.064 76 V CB -1.208 30.348 31.823 -0.445 0.000 0.670 76 V HN 1.582 nan 8.190 nan 0.000 0.461 77 G N 1.314 110.019 108.800 -0.159 0.000 2.447 77 G HA2 -0.109 3.825 3.960 -0.043 0.000 0.211 77 G HA3 -0.109 3.825 3.960 -0.043 0.000 0.211 77 G C 1.457 176.365 174.900 0.014 0.000 1.184 77 G CA 0.719 45.803 45.100 -0.025 0.000 0.813 77 G HN 0.726 nan 8.290 nan 0.000 0.540 78 E N 0.573 120.792 120.200 0.031 0.000 2.085 78 E HA -0.100 4.225 4.350 -0.043 0.000 0.194 78 E C 2.372 179.021 176.600 0.081 0.000 0.994 78 E CA 0.851 57.356 56.400 0.175 0.000 0.801 78 E CB -0.542 29.243 29.700 0.141 0.000 0.743 78 E HN 0.398 nan 8.360 nan 0.000 0.453 79 L N 1.236 122.401 121.223 -0.097 0.000 2.141 79 L HA -0.096 4.219 4.340 -0.043 0.000 0.209 79 L C 2.542 179.387 176.870 -0.042 0.000 1.094 79 L CA 0.975 55.768 54.840 -0.078 0.000 0.763 79 L CB -0.316 41.637 42.059 -0.176 0.000 0.908 79 L HN 0.168 nan 8.230 nan 0.000 0.437 80 S N 0.114 115.781 115.700 -0.056 0.000 2.399 80 S HA -0.125 4.319 4.470 -0.043 0.000 0.231 80 S C 2.025 176.589 174.600 -0.061 0.000 1.022 80 S CA 1.193 59.365 58.200 -0.047 0.000 0.983 80 S CB -0.121 63.051 63.200 -0.047 0.000 0.803 80 S HN 0.509 nan 8.310 nan 0.000 0.480 81 A N 0.835 123.621 122.820 -0.056 0.000 2.169 81 A HA 0.263 4.557 4.320 -0.043 0.000 0.212 81 A C 1.869 179.393 177.584 -0.100 0.000 1.153 81 A CA 0.266 52.226 52.037 -0.128 0.000 0.756 81 A CB -0.405 18.464 19.000 -0.218 0.000 0.813 81 A HN 0.425 nan 8.150 nan 0.000 0.471 82 L N -0.273 120.939 121.223 -0.017 0.000 2.083 82 L HA -0.210 4.105 4.340 -0.043 0.000 0.209 82 L C 2.439 179.322 176.870 0.020 0.000 1.083 82 L CA 1.787 56.639 54.840 0.020 0.000 0.752 82 L CB -0.610 41.479 42.059 0.051 0.000 0.899 82 L HN 0.511 nan 8.230 nan 0.000 0.433 83 N N 0.517 119.252 118.700 0.058 0.000 2.244 83 N HA -0.125 4.590 4.740 -0.043 0.000 0.183 83 N C 1.771 177.382 175.510 0.168 0.000 1.016 83 N CA 1.365 54.535 53.050 0.200 0.000 0.866 83 N CB -0.097 38.552 38.487 0.270 0.000 0.980 83 N HN 0.226 nan 8.380 nan 0.000 0.430 84 G N 0.766 109.550 108.800 -0.025 0.000 2.414 84 G HA2 -0.129 3.805 3.960 -0.043 0.000 0.215 84 G HA3 -0.129 3.805 3.960 -0.043 0.000 0.215 84 G C 1.409 176.291 174.900 -0.031 0.000 1.188 84 G CA 0.647 45.742 45.100 -0.009 0.000 0.783 84 G HN 0.252 nan 8.290 nan 0.000 0.537 85 I N 2.082 122.605 120.570 -0.079 0.000 2.208 85 I HA -0.192 3.952 4.170 -0.043 0.000 0.245 85 I C 3.268 179.300 176.117 -0.142 0.000 1.097 85 I CA 1.377 62.639 61.300 -0.064 0.000 1.363 85 I CB -1.368 36.634 38.000 0.003 0.000 1.051 85 I HN 0.265 nan 8.210 nan 0.000 0.413 86 A N 1.042 123.711 122.820 -0.252 0.000 1.902 86 A HA -0.104 4.190 4.320 -0.043 0.000 0.217 86 A C 2.526 179.496 177.584 -1.023 0.000 1.181 86 A CA 1.902 53.614 52.037 -0.541 0.000 0.623 86 A CB -1.329 17.351 19.000 -0.532 0.000 0.818 86 A HN 0.441 nan 8.150 nan 0.000 0.443 87 G N -0.866 107.221 108.800 -1.188 0.000 2.422 87 G HA2 -0.111 3.823 3.960 -0.043 0.000 0.218 87 G HA3 -0.111 3.823 3.960 -0.043 0.000 0.218 87 G C 1.769 176.396 174.900 -0.455 0.000 1.146 87 G CA 1.267 45.645 45.100 -1.202 0.000 0.769 87 G HN 0.498 nan 8.290 nan 0.000 0.547 88 S N -0.481 115.070 115.700 -0.249 0.000 2.383 88 S HA -0.095 4.349 4.470 -0.043 0.000 0.227 88 S C 1.909 176.437 174.600 -0.119 0.000 1.026 88 S CA 0.916 59.053 58.200 -0.106 0.000 0.981 88 S CB -0.381 62.808 63.200 -0.018 0.000 0.818 88 S HN 0.525 nan 8.310 nan 0.000 0.472 89 Y N 2.387 122.529 120.300 -0.264 0.000 2.145 89 Y HA -0.125 4.402 4.550 -0.037 0.000 0.286 89 Y C 2.477 178.205 175.900 -0.286 0.000 1.145 89 Y CA 1.133 59.075 58.100 -0.263 0.000 1.148 89 Y CB -0.698 37.615 38.460 -0.245 0.000 0.981 89 Y HN 0.223 nan 8.280 nan 0.000 0.507 90 A N 0.221 122.965 122.820 -0.127 0.000 1.908 90 A HA -0.198 4.097 4.320 -0.043 0.000 0.218 90 A C 1.847 179.446 177.584 0.025 0.000 1.181 90 A CA 2.035 54.049 52.037 -0.039 0.000 0.627 90 A CB -0.553 18.433 19.000 -0.023 0.000 0.818 90 A HN 0.646 nan 8.150 nan 0.000 0.445 91 E N -1.073 119.119 120.200 -0.013 0.000 2.463 91 E HA 0.080 4.404 4.350 -0.043 0.000 0.193 91 E C -0.887 175.805 176.600 0.152 0.000 1.041 91 E CA -0.203 56.247 56.400 0.082 0.000 0.879 91 E CB -0.094 29.616 29.700 0.015 0.000 0.997 91 E HN 0.702 nan 8.360 nan 0.000 0.478 92 H N -0.311 118.692 119.070 -0.112 0.000 2.847 92 H HA -0.113 4.418 4.556 -0.041 0.000 0.336 92 H C -0.861 174.418 175.328 -0.082 0.000 1.221 92 H CA 0.148 56.131 56.048 -0.109 0.000 1.162 92 H CB -1.724 28.008 29.762 -0.049 0.000 1.566 92 H HN -0.041 nan 8.280 nan 0.000 0.430 93 V N 0.225 120.134 119.914 -0.009 0.000 2.540 93 V HA 0.416 4.510 4.120 -0.043 0.000 0.302 93 V C 1.062 177.169 176.094 0.020 0.000 1.035 93 V CA -0.156 62.155 62.300 0.018 0.000 0.873 93 V CB 2.111 33.966 31.823 0.054 0.000 0.992 93 V HN 0.591 nan 8.190 nan 0.000 0.428 94 G N 3.758 112.581 108.800 0.038 0.000 2.621 94 G HA2 0.462 4.396 3.960 -0.043 0.000 0.306 94 G HA3 0.462 4.396 3.960 -0.043 0.000 0.306 94 G C -0.512 174.456 174.900 0.115 0.000 0.893 94 G CA -0.071 45.073 45.100 0.073 0.000 1.486 94 G HN 0.516 nan 8.290 nan 0.000 0.477 95 V N 4.101 124.077 119.914 0.103 0.000 2.384 95 V HA 0.281 4.375 4.120 -0.043 0.000 0.287 95 V C -0.151 176.019 176.094 0.127 0.000 1.020 95 V CA -0.935 61.432 62.300 0.112 0.000 0.850 95 V CB 1.580 33.450 31.823 0.079 0.000 0.987 95 V HN 0.585 nan 8.190 nan 0.000 0.436 96 L N 5.413 126.714 121.223 0.131 0.000 2.261 96 L HA 0.411 4.725 4.340 -0.043 0.000 0.289 96 L C -0.015 176.951 176.870 0.160 0.000 1.059 96 L CA 0.284 55.202 54.840 0.129 0.000 0.816 96 L CB 0.292 42.408 42.059 0.095 0.000 1.191 96 L HN 0.732 nan 8.230 nan 0.000 0.431 97 H N 4.793 123.882 119.070 0.031 0.000 2.690 97 H HA 0.461 4.991 4.556 -0.043 0.000 0.289 97 H C -1.168 174.079 175.328 -0.135 0.000 1.089 97 H CA -0.933 55.109 56.048 -0.011 0.000 1.299 97 H CB 0.926 30.708 29.762 0.033 0.000 1.405 97 H HN 0.486 nan 8.280 nan 0.000 0.463 98 V N 6.727 126.663 119.914 0.037 0.000 2.439 98 V HA 0.169 4.263 4.120 -0.043 0.000 0.282 98 V C -0.177 175.804 176.094 -0.189 0.000 1.039 98 V CA -0.636 61.577 62.300 -0.146 0.000 0.913 98 V CB 1.454 33.250 31.823 -0.045 0.000 0.983 98 V HN 0.488 nan 8.190 nan 0.000 0.460 99 V N 3.552 123.247 119.914 -0.366 0.000 2.448 99 V HA 0.621 4.716 4.120 -0.043 0.000 0.295 99 V C 0.715 176.778 176.094 -0.051 0.000 1.025 99 V CA -0.579 61.597 62.300 -0.206 0.000 0.859 99 V CB 1.791 33.416 31.823 -0.330 0.000 0.988 99 V HN 0.949 nan 8.190 nan 0.000 0.431 100 G N 3.387 112.235 108.800 0.079 0.000 2.358 100 G HA2 0.527 4.461 3.960 -0.043 0.000 0.273 100 G HA3 0.527 4.461 3.960 -0.043 0.000 0.273 100 G C -0.280 174.710 174.900 0.150 0.000 1.215 100 G CA -0.028 45.145 45.100 0.121 0.000 0.910 100 G HN 0.996 nan 8.290 nan 0.000 0.467 101 V N 0.789 120.700 119.914 -0.006 0.000 3.046 101 V HA 0.807 4.901 4.120 -0.043 0.000 0.316 101 V C -2.631 173.129 176.094 -0.557 0.000 1.104 101 V CA -2.987 59.159 62.300 -0.256 0.000 1.006 101 V CB 2.155 33.928 31.823 -0.084 0.000 1.058 101 V HN 0.484 nan 8.190 nan 0.000 0.440 102 P HA 0.159 nan 4.420 nan 0.000 0.268 102 P C 0.070 177.123 177.300 -0.411 0.000 1.208 102 P CA 0.269 62.882 63.100 -0.811 0.000 0.777 102 P CB 0.263 31.415 31.700 -0.914 0.000 0.875 103 S N 2.225 117.794 115.700 -0.218 0.000 2.569 103 S HA 0.015 4.460 4.470 -0.043 0.000 0.274 103 S C 1.484 175.942 174.600 -0.237 0.000 1.353 103 S CA -0.339 57.764 58.200 -0.162 0.000 1.023 103 S CB -0.137 63.013 63.200 -0.083 0.000 0.876 103 S HN 0.219 nan 8.310 nan 0.000 0.540 104 I N 2.106 122.570 120.570 -0.178 0.000 2.208 104 I HA -0.178 3.966 4.170 -0.043 0.000 0.245 104 I C 2.837 178.839 176.117 -0.192 0.000 1.097 104 I CA 2.006 63.197 61.300 -0.181 0.000 1.363 104 I CB -2.225 35.704 38.000 -0.120 0.000 1.051 104 I HN 0.957 nan 8.210 nan 0.000 0.413 105 S N -0.121 115.489 115.700 -0.150 0.000 2.383 105 S HA -0.107 4.338 4.470 -0.043 0.000 0.227 105 S C 2.146 176.644 174.600 -0.170 0.000 1.026 105 S CA 1.279 59.401 58.200 -0.129 0.000 0.981 105 S CB -0.567 62.584 63.200 -0.081 0.000 0.818 105 S HN 0.337 nan 8.310 nan 0.000 0.472 106 S N 2.155 117.726 115.700 -0.216 0.000 2.368 106 S HA -0.123 4.321 4.470 -0.043 0.000 0.225 106 S C 2.175 176.466 174.600 -0.515 0.000 1.030 106 S CA 1.395 59.437 58.200 -0.264 0.000 0.999 106 S CB -0.428 62.626 63.200 -0.243 0.000 0.844 106 S HN 0.644 nan 8.310 nan 0.000 0.459 107 Q N 0.802 120.153 119.800 -0.749 0.000 2.046 107 Q HA -0.019 4.295 4.340 -0.043 0.000 0.200 107 Q C 2.577 178.306 176.000 -0.452 0.000 0.975 107 Q CA 1.341 56.496 55.803 -1.079 0.000 0.836 107 Q CB -0.398 27.844 28.738 -0.827 0.000 0.896 107 Q HN 0.580 nan 8.270 nan 0.000 0.428 108 A N 1.844 124.502 122.820 -0.270 0.000 1.908 108 A HA -0.206 4.089 4.320 -0.043 0.000 0.218 108 A C 1.823 179.361 177.584 -0.078 0.000 1.181 108 A CA 1.522 53.481 52.037 -0.131 0.000 0.627 108 A CB -0.309 18.629 19.000 -0.103 0.000 0.818 108 A HN 0.178 nan 8.150 nan 0.000 0.445 109 K N -0.694 119.654 120.400 -0.085 0.000 2.487 109 K HA 0.049 4.343 4.320 -0.043 0.000 0.192 109 K C -0.190 176.425 176.600 0.026 0.000 1.027 109 K CA 0.380 56.651 56.287 -0.027 0.000 1.054 109 K CB 0.037 32.520 32.500 -0.029 0.000 0.824 109 K HN 0.580 nan 8.250 nan 0.000 0.510 110 Q N 1.017 120.849 119.800 0.053 0.000 2.435 110 Q HA -0.180 4.134 4.340 -0.043 0.000 0.312 110 Q C -0.801 175.356 176.000 0.262 0.000 1.333 110 Q CA 0.181 56.146 55.803 0.270 0.000 0.883 110 Q CB -1.644 27.215 28.738 0.203 0.000 1.170 110 Q HN 0.403 nan 8.270 nan 0.000 0.443 111 L N 0.435 121.788 121.223 0.218 0.000 2.525 111 L HA -0.004 4.310 4.340 -0.043 0.000 0.278 111 L C 0.996 178.010 176.870 0.240 0.000 1.218 111 L CA 0.157 55.107 54.840 0.183 0.000 0.878 111 L CB 0.165 42.298 42.059 0.124 0.000 1.127 111 L HN 0.347 nan 8.230 nan 0.000 0.492 112 L N 5.577 126.889 121.223 0.147 0.000 2.384 112 L HA 0.238 4.553 4.340 -0.043 0.000 0.258 112 L C -0.103 176.845 176.870 0.131 0.000 1.266 112 L CA -0.143 54.766 54.840 0.115 0.000 1.162 112 L CB -0.263 41.845 42.059 0.082 0.000 1.375 112 L HN 0.495 nan 8.230 nan 0.000 0.420 113 L N 2.793 124.111 121.223 0.158 0.000 2.379 113 L HA 0.301 4.615 4.340 -0.043 0.000 0.269 113 L C 0.581 177.529 176.870 0.129 0.000 1.084 113 L CA -1.028 53.901 54.840 0.148 0.000 0.802 113 L CB 0.749 42.900 42.059 0.155 0.000 1.175 113 L HN 0.474 nan 8.230 nan 0.000 0.448 114 H N 1.310 120.451 119.070 0.119 0.000 3.073 114 H HA -0.098 4.434 4.556 -0.041 0.000 0.340 114 H C -0.037 175.412 175.328 0.202 0.000 1.054 114 H CA 0.227 56.303 56.048 0.045 0.000 1.372 114 H CB 0.052 29.688 29.762 -0.210 0.000 1.314 114 H HN 0.736 nan 8.280 nan 0.000 0.603 115 H N -1.664 117.611 119.070 0.342 0.000 3.237 115 H HA -0.187 4.343 4.556 -0.044 0.000 0.231 115 H C 0.416 175.956 175.328 0.354 0.000 1.148 115 H CA 1.087 57.323 56.048 0.314 0.000 1.155 115 H CB -2.471 27.571 29.762 0.467 0.000 1.210 115 H HN 0.951 nan 8.280 nan 0.000 0.317 116 T N -2.467 112.332 114.554 0.407 0.000 2.936 116 T HA 0.626 4.950 4.350 -0.043 0.000 0.282 116 T C 1.613 176.436 174.700 0.204 0.000 1.003 116 T CA -0.828 61.461 62.100 0.313 0.000 1.005 116 T CB 1.558 70.452 68.868 0.044 0.000 1.097 116 T HN 0.133 nan 8.240 nan 0.000 0.532 117 L N 0.844 122.142 121.223 0.124 0.000 2.610 117 L HA 0.262 4.577 4.340 -0.043 0.000 0.232 117 L C 2.075 178.963 176.870 0.031 0.000 1.149 117 L CA 0.559 55.445 54.840 0.077 0.000 0.872 117 L CB -1.016 41.053 42.059 0.017 0.000 0.992 117 L HN 1.212 nan 8.230 nan 0.000 0.447 118 G N 1.361 110.169 108.800 0.013 0.000 2.159 118 G HA2 -0.315 3.619 3.960 -0.043 0.000 0.256 118 G HA3 -0.315 3.619 3.960 -0.043 0.000 0.256 118 G C 0.467 175.358 174.900 -0.014 0.000 0.977 118 G CA 0.561 45.668 45.100 0.012 0.000 0.652 118 G HN 0.607 nan 8.290 nan 0.000 0.531 119 N N -0.138 118.530 118.700 -0.053 0.000 2.187 119 N HA 0.413 5.127 4.740 -0.043 0.000 0.212 119 N C 1.568 177.036 175.510 -0.070 0.000 1.152 119 N CA 0.657 53.675 53.050 -0.052 0.000 0.872 119 N CB 0.011 38.465 38.487 -0.055 0.000 1.025 119 N HN 1.522 nan 8.380 nan 0.000 0.514 120 G N 0.268 108.996 108.800 -0.121 0.000 2.168 120 G HA2 -0.301 3.633 3.960 -0.043 0.000 0.263 120 G HA3 -0.301 3.633 3.960 -0.043 0.000 0.263 120 G C -0.564 174.247 174.900 -0.149 0.000 0.977 120 G CA 0.407 45.449 45.100 -0.096 0.000 0.659 120 G HN 0.618 nan 8.290 nan 0.000 0.533 121 D N -0.367 119.880 120.400 -0.255 0.000 2.428 121 D HA 0.522 5.136 4.640 -0.043 0.000 0.221 121 D C 0.776 176.919 176.300 -0.262 0.000 1.123 121 D CA -0.929 52.969 54.000 -0.170 0.000 0.869 121 D CB -0.210 40.493 40.800 -0.163 0.000 1.032 121 D HN 0.078 nan 8.370 nan 0.000 0.506 122 F N 1.285 121.247 119.950 0.020 0.000 2.732 122 F HA 0.063 4.562 4.527 -0.046 0.000 0.303 122 F C 2.318 178.197 175.800 0.133 0.000 1.110 122 F CA 0.235 58.311 58.000 0.128 0.000 1.355 122 F CB 0.355 39.353 39.000 -0.003 0.000 1.081 122 F HN 0.380 nan 8.300 nan 0.000 0.565 123 T N -4.705 109.916 114.554 0.112 0.000 3.014 123 T HA 0.012 4.337 4.350 -0.043 0.000 0.250 123 T C 1.946 176.594 174.700 -0.088 0.000 1.060 123 T CA 0.719 62.864 62.100 0.075 0.000 1.040 123 T CB -0.408 68.478 68.868 0.030 0.000 0.971 123 T HN 0.103 nan 8.240 nan 0.000 0.497 124 V N 0.880 120.607 119.914 -0.312 0.000 2.343 124 V HA -0.060 4.034 4.120 -0.043 0.000 0.247 124 V C 2.011 177.856 176.094 -0.414 0.000 1.051 124 V CA 1.795 63.820 62.300 -0.459 0.000 1.036 124 V CB -0.851 30.575 31.823 -0.662 0.000 0.654 124 V HN 0.500 nan 8.190 nan 0.000 0.451 125 F N 0.156 120.063 119.950 -0.072 0.000 2.206 125 F HA 0.010 4.516 4.527 -0.035 0.000 0.298 125 F C 2.383 178.119 175.800 -0.107 0.000 1.090 125 F CA 1.559 59.495 58.000 -0.105 0.000 1.323 125 F CB -1.437 37.444 39.000 -0.199 0.000 1.028 125 F HN 0.380 nan 8.300 nan 0.000 0.492 126 H N 0.955 119.979 119.070 -0.078 0.000 2.290 126 H HA -0.142 4.399 4.556 -0.024 0.000 0.298 126 H C 2.403 177.509 175.328 -0.370 0.000 1.087 126 H CA 1.713 57.513 56.048 -0.414 0.000 1.291 126 H CB 0.034 29.712 29.762 -0.140 0.000 1.369 126 H HN 0.131 nan 8.280 nan 0.000 0.492 127 R N -0.157 120.146 120.500 -0.329 0.000 2.091 127 R HA -0.159 4.156 4.340 -0.043 0.000 0.238 127 R C 2.679 178.842 176.300 -0.228 0.000 1.136 127 R CA 1.823 57.719 56.100 -0.340 0.000 0.959 127 R CB -0.186 29.965 30.300 -0.249 0.000 0.856 127 R HN 0.450 nan 8.270 nan 0.000 0.437 128 M N -0.232 119.279 119.600 -0.147 0.000 2.086 128 M HA -0.152 4.302 4.480 -0.043 0.000 0.261 128 M C 2.289 178.525 176.300 -0.106 0.000 1.067 128 M CA 1.567 56.816 55.300 -0.084 0.000 1.116 128 M CB -0.162 32.444 32.600 0.009 0.000 1.348 128 M HN 0.015 nan 8.290 nan 0.000 0.407 129 S N 0.234 115.845 115.700 -0.148 0.000 2.447 129 S HA -0.010 4.434 4.470 -0.043 0.000 0.233 129 S C 1.956 176.455 174.600 -0.168 0.000 1.006 129 S CA 0.974 59.089 58.200 -0.142 0.000 0.957 129 S CB -0.281 62.798 63.200 -0.202 0.000 0.773 129 S HN 0.528 nan 8.310 nan 0.000 0.507 130 A N 2.450 125.136 122.820 -0.223 0.000 2.019 130 A HA -0.116 4.178 4.320 -0.043 0.000 0.219 130 A C 1.838 179.325 177.584 -0.162 0.000 1.164 130 A CA 1.186 53.120 52.037 -0.172 0.000 0.644 130 A CB -0.497 18.369 19.000 -0.224 0.000 0.805 130 A HN 0.488 nan 8.150 nan 0.000 0.449 131 N N 0.157 118.750 118.700 -0.177 0.000 2.364 131 N HA -0.098 4.616 4.740 -0.043 0.000 0.183 131 N C 1.143 176.442 175.510 -0.351 0.000 1.022 131 N CA 1.697 54.624 53.050 -0.204 0.000 0.883 131 N CB -0.172 38.224 38.487 -0.152 0.000 0.965 131 N HN 0.816 nan 8.380 nan 0.000 0.438 132 I N -3.046 117.315 120.570 -0.347 0.000 3.658 132 I HA 0.359 4.503 4.170 -0.043 0.000 0.328 132 I C -0.595 175.312 176.117 -0.350 0.000 1.567 132 I CA -0.413 60.554 61.300 -0.556 0.000 1.078 132 I CB 0.486 38.296 38.000 -0.317 0.000 1.267 132 I HN -0.291 nan 8.210 nan 0.000 0.495 133 S N 0.736 116.317 115.700 -0.197 0.000 2.542 133 S HA 0.290 4.734 4.470 -0.043 0.000 0.293 133 S C 0.597 175.320 174.600 0.204 0.000 1.089 133 S CA -0.442 57.819 58.200 0.103 0.000 0.961 133 S CB 2.713 65.984 63.200 0.119 0.000 1.062 133 S HN 0.345 nan 8.310 nan 0.000 0.483 134 E N 1.773 122.138 120.200 0.276 0.000 2.077 134 E HA -0.052 4.272 4.350 -0.043 0.000 0.193 134 E C 0.671 177.355 176.600 0.140 0.000 0.989 134 E CA 1.521 58.047 56.400 0.209 0.000 0.800 134 E CB 0.191 29.970 29.700 0.132 0.000 0.746 134 E HN 0.573 nan 8.360 nan 0.000 0.452 135 T N -1.806 112.830 114.554 0.136 0.000 2.792 135 T HA 0.532 4.856 4.350 -0.043 0.000 0.303 135 T C -1.385 173.408 174.700 0.156 0.000 1.310 135 T CA -0.184 61.988 62.100 0.121 0.000 1.007 135 T CB 1.258 70.189 68.868 0.105 0.000 1.335 135 T HN 0.196 nan 8.240 nan 0.000 0.504 136 T N -0.365 114.291 114.554 0.170 0.000 2.906 136 T HA 0.880 5.204 4.350 -0.043 0.000 0.295 136 T C -1.059 173.755 174.700 0.191 0.000 1.075 136 T CA -0.646 61.604 62.100 0.249 0.000 1.005 136 T CB 1.664 70.755 68.868 0.371 0.000 1.136 136 T HN 1.054 nan 8.240 nan 0.000 0.498 137 A N 2.085 124.995 122.820 0.151 0.000 2.398 137 A HA 0.763 5.057 4.320 -0.043 0.000 0.301 137 A C -0.842 176.722 177.584 -0.034 0.000 1.041 137 A CA -0.866 51.207 52.037 0.059 0.000 0.711 137 A CB 1.708 20.729 19.000 0.035 0.000 1.240 137 A HN 0.994 nan 8.150 nan 0.000 0.420 138 M N 4.399 123.951 119.600 -0.081 0.000 2.043 138 M HA 0.493 4.947 4.480 -0.043 0.000 0.322 138 M C -1.311 174.958 176.300 -0.053 0.000 0.962 138 M CA -0.835 54.391 55.300 -0.123 0.000 0.927 138 M CB 0.312 32.795 32.600 -0.194 0.000 1.466 138 M HN 0.505 nan 8.290 nan 0.000 0.412 139 I N 4.923 125.457 120.570 -0.060 0.000 2.533 139 I HA 0.177 4.322 4.170 -0.043 0.000 0.284 139 I C 1.154 177.239 176.117 -0.054 0.000 1.109 139 I CA 0.426 61.694 61.300 -0.053 0.000 1.412 139 I CB 0.270 38.232 38.000 -0.064 0.000 1.396 139 I HN 0.926 nan 8.210 nan 0.000 0.543 140 T N -0.010 114.517 114.554 -0.045 0.000 2.966 140 T HA 0.148 4.472 4.350 -0.043 0.000 0.254 140 T C 0.231 174.901 174.700 -0.049 0.000 0.961 140 T CA -0.191 61.880 62.100 -0.048 0.000 0.915 140 T CB 0.436 69.283 68.868 -0.035 0.000 1.186 140 T HN 0.431 nan 8.240 nan 0.000 0.505 141 D N 0.369 120.740 120.400 -0.048 0.000 2.593 141 D HA 0.387 5.001 4.640 -0.043 0.000 0.251 141 D C 0.672 176.936 176.300 -0.060 0.000 1.140 141 D CA -0.915 53.056 54.000 -0.048 0.000 0.855 141 D CB 1.664 42.441 40.800 -0.039 0.000 1.267 141 D HN -0.017 nan 8.370 nan 0.000 0.532 142 I N 4.050 124.582 120.570 -0.063 0.000 2.423 142 I HA -0.136 4.009 4.170 -0.043 0.000 0.254 142 I C 1.887 177.952 176.117 -0.087 0.000 1.151 142 I CA 1.702 62.955 61.300 -0.078 0.000 1.421 142 I CB -0.037 37.921 38.000 -0.069 0.000 1.079 142 I HN 0.537 nan 8.210 nan 0.000 0.431 143 A N -0.885 121.895 122.820 -0.068 0.000 1.969 143 A HA -0.167 4.128 4.320 -0.043 0.000 0.218 143 A C 2.196 179.738 177.584 -0.071 0.000 1.169 143 A CA 2.078 54.076 52.037 -0.065 0.000 0.635 143 A CB -1.076 17.896 19.000 -0.046 0.000 0.810 143 A HN 0.550 nan 8.150 nan 0.000 0.445 144 T N -4.597 109.917 114.554 -0.067 0.000 3.044 144 T HA 0.552 4.877 4.350 -0.043 0.000 0.260 144 T C 1.580 176.234 174.700 -0.077 0.000 1.019 144 T CA 0.827 62.891 62.100 -0.060 0.000 0.921 144 T CB 0.268 69.115 68.868 -0.036 0.000 1.053 144 T HN 0.416 nan 8.240 nan 0.000 0.533 145 A N 3.108 125.866 122.820 -0.104 0.000 1.883 145 A HA 0.088 4.383 4.320 -0.043 0.000 0.217 145 A C 0.100 177.583 177.584 -0.168 0.000 1.186 145 A CA 1.365 53.329 52.037 -0.121 0.000 0.624 145 A CB -1.632 17.288 19.000 -0.134 0.000 0.822 145 A HN 0.467 nan 8.150 nan 0.000 0.444 146 P HA -0.128 nan 4.420 nan 0.000 0.215 146 P C 1.751 179.000 177.300 -0.086 0.000 1.153 146 P CA 1.970 64.819 63.100 -0.420 0.000 0.853 146 P CB -0.141 31.173 31.700 -0.643 0.000 0.788 147 A N -0.064 122.721 122.820 -0.058 0.000 1.933 147 A HA -0.222 4.072 4.320 -0.043 0.000 0.218 147 A C 2.210 179.807 177.584 0.021 0.000 1.175 147 A CA 1.554 53.594 52.037 0.005 0.000 0.628 147 A CB -1.079 17.919 19.000 -0.004 0.000 0.814 147 A HN 0.087 nan 8.150 nan 0.000 0.444 148 E N -0.143 120.056 120.200 -0.002 0.000 2.072 148 E HA -0.120 4.205 4.350 -0.043 0.000 0.191 148 E C 2.008 178.625 176.600 0.029 0.000 0.985 148 E CA 0.919 57.326 56.400 0.011 0.000 0.801 148 E CB -0.350 29.347 29.700 -0.006 0.000 0.750 148 E HN 0.728 nan 8.360 nan 0.000 0.452 149 I N 1.591 122.181 120.570 0.035 0.000 2.163 149 I HA -0.290 3.854 4.170 -0.043 0.000 0.243 149 I C 1.897 178.066 176.117 0.088 0.000 1.085 149 I CA 1.297 62.638 61.300 0.068 0.000 1.347 149 I CB -0.244 37.839 38.000 0.138 0.000 1.044 149 I HN -0.031 nan 8.210 nan 0.000 0.408 150 D N 0.311 120.783 120.400 0.120 0.000 2.123 150 D HA -0.210 4.404 4.640 -0.043 0.000 0.196 150 D C 2.170 178.515 176.300 0.074 0.000 0.992 150 D CA 1.079 55.138 54.000 0.098 0.000 0.833 150 D CB -0.318 40.549 40.800 0.112 0.000 0.954 150 D HN 0.223 nan 8.370 nan 0.000 0.455 151 R N 0.179 120.719 120.500 0.068 0.000 2.083 151 R HA -0.130 4.184 4.340 -0.043 0.000 0.237 151 R C 2.167 178.511 176.300 0.074 0.000 1.137 151 R CA 1.587 57.727 56.100 0.067 0.000 0.951 151 R CB -0.543 29.791 30.300 0.057 0.000 0.851 151 R HN 0.186 nan 8.270 nan 0.000 0.434 152 C N 0.297 119.637 119.300 0.068 0.000 2.429 152 C HA -0.055 4.379 4.460 -0.043 0.000 0.277 152 C C 2.579 177.618 174.990 0.082 0.000 1.262 152 C CA 0.556 59.618 59.018 0.074 0.000 1.733 152 C CB -0.776 26.998 27.740 0.055 0.000 2.010 152 C HN 0.536 nan 8.230 nan 0.000 0.483 153 I N 0.404 121.017 120.570 0.071 0.000 2.202 153 I HA -0.200 3.944 4.170 -0.043 0.000 0.242 153 I C 2.834 179.017 176.117 0.109 0.000 1.091 153 I CA 1.501 62.845 61.300 0.074 0.000 1.368 153 I CB -0.618 37.404 38.000 0.036 0.000 1.058 153 I HN 0.334 nan 8.210 nan 0.000 0.410 154 R N 0.723 121.285 120.500 0.103 0.000 2.094 154 R HA -0.193 4.121 4.340 -0.043 0.000 0.239 154 R C 2.266 178.661 176.300 0.159 0.000 1.137 154 R CA 2.426 58.607 56.100 0.136 0.000 0.943 154 R CB -0.431 29.935 30.300 0.109 0.000 0.850 154 R HN 0.235 nan 8.270 nan 0.000 0.433 155 T N 0.138 114.768 114.554 0.126 0.000 2.746 155 T HA -0.113 4.212 4.350 -0.043 0.000 0.267 155 T C 1.734 176.508 174.700 0.124 0.000 1.039 155 T CA 1.860 64.030 62.100 0.116 0.000 1.142 155 T CB -0.411 68.518 68.868 0.101 0.000 0.866 155 T HN 0.428 nan 8.240 nan 0.000 0.444 156 T N 0.969 115.604 114.554 0.135 0.000 2.665 156 T HA -0.174 4.151 4.350 -0.043 0.000 0.268 156 T C 1.629 176.425 174.700 0.161 0.000 1.035 156 T CA 1.611 63.794 62.100 0.139 0.000 1.151 156 T CB -0.502 68.454 68.868 0.147 0.000 0.862 156 T HN 0.451 nan 8.240 nan 0.000 0.438 157 Y N 1.879 122.217 120.300 0.064 0.000 2.243 157 Y HA -0.041 4.483 4.550 -0.043 0.000 0.293 157 Y C 2.452 178.397 175.900 0.075 0.000 1.124 157 Y CA 0.867 59.002 58.100 0.058 0.000 1.159 157 Y CB -0.471 38.021 38.460 0.054 0.000 1.008 157 Y HN 0.106 nan 8.280 nan 0.000 0.527 158 V N -2.050 117.908 119.914 0.073 0.000 2.591 158 V HA -0.105 3.989 4.120 -0.043 0.000 0.249 158 V C 1.965 178.092 176.094 0.055 0.000 1.053 158 V CA 2.209 64.518 62.300 0.015 0.000 1.068 158 V CB -1.533 30.357 31.823 0.112 0.000 0.689 158 V HN 0.545 nan 8.190 nan 0.000 0.462 159 T N -4.028 110.572 114.554 0.077 0.000 3.081 159 T HA 0.040 4.364 4.350 -0.043 0.000 0.255 159 T C 0.999 175.770 174.700 0.117 0.000 1.113 159 T CA 0.387 62.552 62.100 0.109 0.000 1.082 159 T CB -0.336 68.576 68.868 0.072 0.000 0.939 159 T HN 0.477 nan 8.240 nan 0.000 0.506 160 Q N 1.245 121.059 119.800 0.023 0.000 2.439 160 Q HA -0.138 4.177 4.340 -0.043 0.000 0.325 160 Q C -0.657 175.323 176.000 -0.034 0.000 1.372 160 Q CA 0.846 56.625 55.803 -0.040 0.000 0.909 160 Q CB -1.035 27.596 28.738 -0.178 0.000 1.167 160 Q HN 0.664 nan 8.270 nan 0.000 0.418 161 R N -0.734 119.745 120.500 -0.034 0.000 2.740 161 R HA 0.537 4.852 4.340 -0.043 0.000 0.273 161 R C -2.595 173.727 176.300 0.036 0.000 0.998 161 R CA -2.090 53.955 56.100 -0.093 0.000 0.900 161 R CB 1.446 31.632 30.300 -0.189 0.000 1.223 161 R HN -0.120 nan 8.270 nan 0.000 0.466 162 P HA 0.134 nan 4.420 nan 0.000 0.269 162 P C -0.673 176.732 177.300 0.175 0.000 1.215 162 P CA -0.227 62.957 63.100 0.141 0.000 0.780 162 P CB 0.629 32.422 31.700 0.155 0.000 0.898 163 V N 2.492 122.513 119.914 0.179 0.000 2.789 163 V HA 0.347 4.441 4.120 -0.043 0.000 0.311 163 V C -1.139 175.089 176.094 0.224 0.000 1.073 163 V CA -0.627 61.785 62.300 0.187 0.000 0.921 163 V CB 2.008 33.916 31.823 0.142 0.000 1.009 163 V HN 0.399 nan 8.190 nan 0.000 0.426 164 Y N 4.827 125.178 120.300 0.084 0.000 2.335 164 Y HA 0.772 5.303 4.550 -0.031 0.000 0.338 164 Y C -0.953 174.938 175.900 -0.015 0.000 0.977 164 Y CA -0.853 57.269 58.100 0.037 0.000 1.114 164 Y CB 1.684 40.176 38.460 0.054 0.000 1.182 164 Y HN 0.573 nan 8.280 nan 0.000 0.463 165 L N 6.687 127.707 121.223 -0.338 0.000 2.372 165 L HA 0.733 5.047 4.340 -0.043 0.000 0.273 165 L C -0.487 176.136 176.870 -0.412 0.000 0.989 165 L CA -0.269 54.429 54.840 -0.236 0.000 0.841 165 L CB 1.353 43.337 42.059 -0.125 0.000 1.225 165 L HN 0.771 nan 8.230 nan 0.000 0.414 166 G N 5.806 114.430 108.800 -0.293 0.000 2.325 166 G HA2 0.559 4.493 3.960 -0.043 0.000 0.298 166 G HA3 0.559 4.493 3.960 -0.043 0.000 0.298 166 G C -1.028 173.796 174.900 -0.127 0.000 1.134 166 G CA -0.457 44.514 45.100 -0.215 0.000 0.876 166 G HN 0.573 nan 8.290 nan 0.000 0.452 167 L N 4.314 125.475 121.223 -0.104 0.000 2.345 167 L HA 0.285 4.599 4.340 -0.043 0.000 0.274 167 L C -2.311 174.524 176.870 -0.059 0.000 0.999 167 L CA -1.939 52.855 54.840 -0.077 0.000 0.849 167 L CB 2.681 44.696 42.059 -0.073 0.000 1.220 167 L HN 0.310 nan 8.230 nan 0.000 0.422 168 P HA -0.005 nan 4.420 nan 0.000 0.264 168 P C 0.563 177.835 177.300 -0.046 0.000 1.193 168 P CA 0.118 63.164 63.100 -0.090 0.000 0.763 168 P CB 1.161 32.795 31.700 -0.110 0.000 0.810 169 A N 4.861 127.673 122.820 -0.014 0.000 1.958 169 A HA -0.266 4.028 4.320 -0.043 0.000 0.221 169 A C 1.901 179.491 177.584 0.010 0.000 1.178 169 A CA 2.148 54.209 52.037 0.040 0.000 0.642 169 A CB -1.219 17.858 19.000 0.128 0.000 0.816 169 A HN 0.719 nan 8.150 nan 0.000 0.453 170 N N 0.289 118.980 118.700 -0.015 0.000 2.270 170 N HA -0.075 4.639 4.740 -0.043 0.000 0.181 170 N C 1.556 177.050 175.510 -0.027 0.000 1.016 170 N CA 1.468 54.505 53.050 -0.021 0.000 0.870 170 N CB -0.522 37.944 38.487 -0.035 0.000 0.979 170 N HN 0.522 nan 8.380 nan 0.000 0.431 171 L N 1.345 122.545 121.223 -0.038 0.000 2.313 171 L HA 0.012 4.326 4.340 -0.043 0.000 0.214 171 L C 2.458 179.305 176.870 -0.038 0.000 1.119 171 L CA 0.362 55.176 54.840 -0.044 0.000 0.809 171 L CB -0.231 41.793 42.059 -0.058 0.000 0.933 171 L HN 0.071 nan 8.230 nan 0.000 0.449 172 V N -3.785 116.114 119.914 -0.025 0.000 2.759 172 V HA -0.158 3.936 4.120 -0.043 0.000 0.256 172 V C 1.351 177.443 176.094 -0.004 0.000 1.080 172 V CA 1.690 63.980 62.300 -0.016 0.000 1.101 172 V CB -0.416 31.406 31.823 -0.001 0.000 0.698 172 V HN 0.326 nan 8.190 nan 0.000 0.477 173 D N 0.020 120.417 120.400 -0.006 0.000 2.369 173 D HA 0.323 4.937 4.640 -0.043 0.000 0.211 173 D C 0.728 177.024 176.300 -0.008 0.000 1.077 173 D CA 0.084 54.083 54.000 -0.000 0.000 0.842 173 D CB 0.352 41.153 40.800 0.001 0.000 0.947 173 D HN 0.433 nan 8.370 nan 0.000 0.509 174 L N 1.115 122.326 121.223 -0.019 0.000 2.418 174 L HA 0.185 4.500 4.340 -0.043 0.000 0.265 174 L C 0.790 177.644 176.870 -0.028 0.000 1.143 174 L CA -0.308 54.517 54.840 -0.026 0.000 0.809 174 L CB 0.678 42.715 42.059 -0.038 0.000 1.124 174 L HN -0.204 nan 8.230 nan 0.000 0.456 175 N N 1.018 119.702 118.700 -0.026 0.000 2.509 175 N HA 0.490 5.204 4.740 -0.043 0.000 0.287 175 N C -0.724 174.760 175.510 -0.043 0.000 1.121 175 N CA -0.255 52.782 53.050 -0.023 0.000 0.977 175 N CB 2.433 40.914 38.487 -0.010 0.000 1.167 175 N HN 0.346 nan 8.380 nan 0.000 0.476 176 V N -0.847 119.039 119.914 -0.047 0.000 3.040 176 V HA 0.655 4.750 4.120 -0.043 0.000 0.312 176 V C -2.755 173.320 176.094 -0.031 0.000 1.115 176 V CA -2.598 59.654 62.300 -0.080 0.000 0.998 176 V CB 1.881 33.584 31.823 -0.200 0.000 1.042 176 V HN 0.392 nan 8.190 nan 0.000 0.433 177 P HA 0.288 nan 4.420 nan 0.000 0.266 177 P C 0.633 177.966 177.300 0.055 0.000 1.215 177 P CA 0.468 63.573 63.100 0.008 0.000 0.763 177 P CB 1.109 32.809 31.700 -0.000 0.000 0.806 178 A N 5.752 128.609 122.820 0.063 0.000 2.019 178 A HA -0.204 4.090 4.320 -0.043 0.000 0.219 178 A C 1.861 179.495 177.584 0.084 0.000 1.164 178 A CA 1.350 53.440 52.037 0.089 0.000 0.644 178 A CB -0.877 18.159 19.000 0.060 0.000 0.805 178 A HN 0.608 nan 8.150 nan 0.000 0.449 179 K N 0.182 120.617 120.400 0.059 0.000 2.281 179 K HA -0.075 4.219 4.320 -0.043 0.000 0.203 179 K C 1.545 178.185 176.600 0.065 0.000 1.046 179 K CA 1.453 57.770 56.287 0.049 0.000 0.938 179 K CB -0.647 31.873 32.500 0.033 0.000 0.737 179 K HN 0.455 nan 8.250 nan 0.000 0.458 180 L N 1.152 122.436 121.223 0.102 0.000 2.127 180 L HA -0.146 4.168 4.340 -0.043 0.000 0.211 180 L C 2.376 179.329 176.870 0.138 0.000 1.089 180 L CA 0.996 55.920 54.840 0.141 0.000 0.757 180 L CB -0.494 41.698 42.059 0.222 0.000 0.899 180 L HN 0.187 nan 8.230 nan 0.000 0.434 181 L N -0.786 120.504 121.223 0.111 0.000 2.362 181 L HA -0.165 4.150 4.340 -0.043 0.000 0.219 181 L C 2.276 179.142 176.870 -0.006 0.000 1.134 181 L CA 0.735 55.574 54.840 -0.002 0.000 0.807 181 L CB -0.325 41.704 42.059 -0.050 0.000 0.927 181 L HN 0.359 nan 8.230 nan 0.000 0.447 182 Q N -0.959 118.852 119.800 0.019 0.000 2.451 182 Q HA 0.015 4.330 4.340 -0.043 0.000 0.206 182 Q C 0.042 176.049 176.000 0.012 0.000 0.947 182 Q CA 0.434 56.244 55.803 0.011 0.000 0.937 182 Q CB 0.242 28.989 28.738 0.016 0.000 1.025 182 Q HN 0.300 nan 8.270 nan 0.000 0.511 183 T N 2.829 117.395 114.554 0.020 0.000 2.756 183 T HA 0.322 4.646 4.350 -0.043 0.000 0.290 183 T C -2.442 172.266 174.700 0.013 0.000 0.985 183 T CA -1.519 60.593 62.100 0.020 0.000 0.955 183 T CB 1.391 70.277 68.868 0.031 0.000 0.930 183 T HN -0.069 nan 8.240 nan 0.000 0.451 184 P HA 0.185 nan 4.420 nan 0.000 0.269 184 P C -0.027 177.277 177.300 0.007 0.000 1.215 184 P CA -0.447 62.650 63.100 -0.006 0.000 0.780 184 P CB 0.395 32.092 31.700 -0.004 0.000 0.898 185 I N 1.590 122.159 120.570 -0.002 0.000 2.618 185 I HA -0.038 4.107 4.170 -0.043 0.000 0.284 185 I C 0.994 177.126 176.117 0.025 0.000 1.146 185 I CA 0.141 61.451 61.300 0.017 0.000 1.425 185 I CB -0.021 37.983 38.000 0.007 0.000 1.383 185 I HN 0.323 nan 8.210 nan 0.000 0.562 186 D N 7.864 128.291 120.400 0.045 0.000 2.346 186 D HA 0.059 4.673 4.640 -0.043 0.000 0.260 186 D C 0.343 176.694 176.300 0.085 0.000 1.252 186 D CA 0.143 54.179 54.000 0.060 0.000 0.895 186 D CB 0.747 41.586 40.800 0.065 0.000 1.097 186 D HN 0.303 nan 8.370 nan 0.000 0.489 187 M N 1.997 121.651 119.600 0.091 0.000 2.404 187 M HA 0.063 4.517 4.480 -0.043 0.000 0.271 187 M C 0.330 176.781 176.300 0.252 0.000 1.128 187 M CA -0.202 55.191 55.300 0.155 0.000 0.982 187 M CB -0.708 31.897 32.600 0.009 0.000 1.445 187 M HN 0.342 nan 8.290 nan 0.000 0.495 188 S N 0.665 116.478 115.700 0.188 0.000 2.617 188 S HA 0.704 5.149 4.470 -0.043 0.000 0.283 188 S C -0.008 174.714 174.600 0.204 0.000 1.189 188 S CA -0.831 57.493 58.200 0.206 0.000 1.036 188 S CB 1.700 65.007 63.200 0.178 0.000 1.014 188 S HN 0.348 nan 8.310 nan 0.000 0.522 189 L N 2.554 123.917 121.223 0.233 0.000 2.456 189 L HA 0.224 4.538 4.340 -0.043 0.000 0.272 189 L C 0.788 177.836 176.870 0.297 0.000 1.189 189 L CA -0.460 54.527 54.840 0.244 0.000 0.846 189 L CB 0.213 42.396 42.059 0.207 0.000 1.111 189 L HN 0.617 nan 8.230 nan 0.000 0.475 190 K N 2.890 123.417 120.400 0.212 0.000 2.382 190 K HA 0.253 4.547 4.320 -0.043 0.000 0.275 190 K C -2.210 174.480 176.600 0.150 0.000 1.009 190 K CA -1.638 54.734 56.287 0.142 0.000 0.970 190 K CB 0.109 32.669 32.500 0.100 0.000 0.934 190 K HN 0.255 nan 8.250 nan 0.000 0.479 191 P HA 0.015 nan 4.420 nan 0.000 0.269 191 P C -0.214 177.060 177.300 -0.043 0.000 1.217 191 P CA -0.122 62.840 63.100 -0.231 0.000 0.783 191 P CB 0.414 31.962 31.700 -0.253 0.000 0.898 192 N N 0.912 119.593 118.700 -0.032 0.000 2.444 192 N HA 0.018 4.732 4.740 -0.043 0.000 0.255 192 N C -0.167 175.355 175.510 0.020 0.000 1.255 192 N CA -0.005 53.087 53.050 0.069 0.000 0.933 192 N CB -0.184 38.379 38.487 0.126 0.000 1.143 192 N HN 0.476 nan 8.380 nan 0.000 0.453 193 D N 0.086 120.512 120.400 0.045 0.000 2.472 193 D HA 0.114 4.728 4.640 -0.043 0.000 0.248 193 D C 0.841 177.155 176.300 0.024 0.000 1.174 193 D CA -0.115 53.905 54.000 0.034 0.000 0.883 193 D CB 0.596 41.427 40.800 0.053 0.000 1.149 193 D HN 0.496 nan 8.370 nan 0.000 0.488 194 A N 4.155 126.979 122.820 0.007 0.000 1.902 194 A HA -0.195 4.100 4.320 -0.043 0.000 0.217 194 A C 1.899 179.488 177.584 0.008 0.000 1.181 194 A CA 1.324 53.360 52.037 -0.002 0.000 0.623 194 A CB -0.402 18.592 19.000 -0.011 0.000 0.818 194 A HN 0.785 nan 8.150 nan 0.000 0.443 195 E N -0.263 119.949 120.200 0.020 0.000 2.107 195 E HA -0.075 4.250 4.350 -0.043 0.000 0.191 195 E C 2.318 178.943 176.600 0.041 0.000 0.982 195 E CA 1.069 57.485 56.400 0.027 0.000 0.809 195 E CB -0.082 29.638 29.700 0.032 0.000 0.756 195 E HN 0.596 nan 8.360 nan 0.000 0.459 196 S N 1.115 116.851 115.700 0.061 0.000 2.345 196 S HA -0.199 4.245 4.470 -0.043 0.000 0.220 196 S C 1.947 176.547 174.600 -0.001 0.000 1.031 196 S CA 1.062 59.321 58.200 0.099 0.000 0.996 196 S CB -0.227 63.061 63.200 0.146 0.000 0.882 196 S HN 0.291 nan 8.310 nan 0.000 0.445 197 E N 1.310 121.508 120.200 -0.004 0.000 2.097 197 E HA -0.240 4.084 4.350 -0.043 0.000 0.196 197 E C 2.124 178.686 176.600 -0.063 0.000 1.000 197 E CA 1.193 57.570 56.400 -0.037 0.000 0.804 197 E CB -0.082 29.624 29.700 0.010 0.000 0.740 197 E HN 0.398 nan 8.360 nan 0.000 0.454 198 K N 0.639 121.019 120.400 -0.033 0.000 2.097 198 K HA -0.206 4.088 4.320 -0.043 0.000 0.205 198 K C 2.115 178.685 176.600 -0.050 0.000 1.050 198 K CA 1.453 57.721 56.287 -0.031 0.000 0.938 198 K CB -0.067 32.427 32.500 -0.010 0.000 0.718 198 K HN 0.121 nan 8.250 nan 0.000 0.442 199 E N 0.227 120.398 120.200 -0.048 0.000 2.058 199 E HA -0.174 4.150 4.350 -0.043 0.000 0.194 199 E C 1.864 178.359 176.600 -0.175 0.000 0.997 199 E CA 1.425 57.796 56.400 -0.048 0.000 0.801 199 E CB 0.102 29.839 29.700 0.062 0.000 0.746 199 E HN 0.129 nan 8.360 nan 0.000 0.450 200 V N 1.143 120.839 119.914 -0.364 0.000 2.287 200 V HA -0.284 3.811 4.120 -0.043 0.000 0.248 200 V C 2.381 178.314 176.094 -0.267 0.000 1.053 200 V CA 1.833 63.813 62.300 -0.533 0.000 1.027 200 V CB -0.418 31.024 31.823 -0.635 0.000 0.646 200 V HN 0.333 nan 8.190 nan 0.000 0.447 201 I N 0.078 120.552 120.570 -0.159 0.000 2.208 201 I HA -0.248 3.896 4.170 -0.043 0.000 0.245 201 I C 2.295 178.380 176.117 -0.053 0.000 1.097 201 I CA 1.668 62.925 61.300 -0.073 0.000 1.363 201 I CB -0.500 37.480 38.000 -0.033 0.000 1.051 201 I HN 0.327 nan 8.210 nan 0.000 0.413 202 D N -0.057 120.312 120.400 -0.053 0.000 2.097 202 D HA -0.196 4.418 4.640 -0.043 0.000 0.195 202 D C 2.222 178.509 176.300 -0.023 0.000 0.989 202 D CA 1.952 55.936 54.000 -0.027 0.000 0.827 202 D CB -0.545 40.246 40.800 -0.015 0.000 0.966 202 D HN 0.257 nan 8.370 nan 0.000 0.456 203 T N 0.375 114.904 114.554 -0.041 0.000 2.708 203 T HA -0.111 4.213 4.350 -0.043 0.000 0.266 203 T C 2.240 176.926 174.700 -0.024 0.000 1.037 203 T CA 0.808 62.894 62.100 -0.024 0.000 1.146 203 T CB -0.345 68.505 68.868 -0.029 0.000 0.865 203 T HN 0.065 nan 8.240 nan 0.000 0.435 204 I N 0.782 121.322 120.570 -0.049 0.000 2.151 204 I HA -0.192 3.952 4.170 -0.043 0.000 0.243 204 I C 2.469 178.599 176.117 0.021 0.000 1.080 204 I CA 1.468 62.754 61.300 -0.023 0.000 1.339 204 I CB -0.439 37.544 38.000 -0.028 0.000 1.039 204 I HN 0.299 nan 8.210 nan 0.000 0.409 205 L N 0.516 121.750 121.223 0.019 0.000 2.043 205 L HA -0.249 4.065 4.340 -0.043 0.000 0.212 205 L C 2.812 179.703 176.870 0.036 0.000 1.075 205 L CA 1.517 56.376 54.840 0.031 0.000 0.752 205 L CB -0.828 41.243 42.059 0.020 0.000 0.891 205 L HN 0.271 nan 8.230 nan 0.000 0.432 206 A N -0.122 122.712 122.820 0.024 0.000 1.930 206 A HA -0.100 4.194 4.320 -0.043 0.000 0.217 206 A C 2.257 179.857 177.584 0.026 0.000 1.175 206 A CA 1.250 53.302 52.037 0.024 0.000 0.627 206 A CB -0.553 18.457 19.000 0.018 0.000 0.815 206 A HN 0.370 nan 8.150 nan 0.000 0.443 207 L N -0.803 120.434 121.223 0.023 0.000 2.109 207 L HA -0.109 4.205 4.340 -0.043 0.000 0.207 207 L C 2.486 179.371 176.870 0.026 0.000 1.086 207 L CA 0.659 55.508 54.840 0.016 0.000 0.760 207 L CB -0.531 41.533 42.059 0.008 0.000 0.910 207 L HN 0.220 nan 8.230 nan 0.000 0.437 208 V N 0.144 120.094 119.914 0.061 0.000 2.255 208 V HA -0.311 3.784 4.120 -0.043 0.000 0.247 208 V C 2.573 178.733 176.094 0.110 0.000 1.051 208 V CA 1.753 64.125 62.300 0.120 0.000 1.018 208 V CB -0.517 31.405 31.823 0.165 0.000 0.641 208 V HN 0.417 nan 8.190 nan 0.000 0.445 209 K N -0.187 120.264 120.400 0.085 0.000 2.113 209 K HA -0.251 4.043 4.320 -0.043 0.000 0.208 209 K C 1.753 178.392 176.600 0.064 0.000 1.047 209 K CA 2.125 58.459 56.287 0.079 0.000 0.928 209 K CB -0.399 32.135 32.500 0.056 0.000 0.716 209 K HN 0.532 nan 8.250 nan 0.000 0.446 210 D N 0.139 120.562 120.400 0.039 0.000 2.323 210 D HA 0.020 4.634 4.640 -0.043 0.000 0.209 210 D C 0.122 176.427 176.300 0.009 0.000 0.973 210 D CA 0.181 54.196 54.000 0.024 0.000 0.874 210 D CB 0.182 40.990 40.800 0.013 0.000 0.930 210 D HN 0.172 nan 8.370 nan 0.000 0.521 211 A N 0.775 123.586 122.820 -0.015 0.000 2.450 211 A HA 0.108 4.402 4.320 -0.043 0.000 0.255 211 A C 1.197 178.757 177.584 -0.039 0.000 1.096 211 A CA -0.081 51.911 52.037 -0.075 0.000 0.778 211 A CB 0.521 19.405 19.000 -0.193 0.000 1.031 211 A HN -0.071 nan 8.150 nan 0.000 0.494 212 K N 1.233 121.620 120.400 -0.022 0.000 2.242 212 K HA 0.019 4.313 4.320 -0.043 0.000 0.200 212 K C 0.136 176.778 176.600 0.070 0.000 1.050 212 K CA 0.732 57.048 56.287 0.049 0.000 0.981 212 K CB 0.146 32.662 32.500 0.027 0.000 0.795 212 K HN 0.678 nan 8.250 nan 0.000 0.477 213 N N 1.268 119.941 118.700 -0.045 0.000 2.723 213 N HA 0.158 4.872 4.740 -0.043 0.000 0.290 213 N C -2.906 172.468 175.510 -0.226 0.000 1.882 213 N CA -1.903 51.112 53.050 -0.060 0.000 0.851 213 N CB 0.956 39.428 38.487 -0.025 0.000 1.234 213 N HN -0.089 nan 8.380 nan 0.000 0.491 214 P HA 0.308 nan 4.420 nan 0.000 0.281 214 P C -0.612 176.364 177.300 -0.541 0.000 1.249 214 P CA -0.457 62.235 63.100 -0.681 0.000 0.810 214 P CB 1.749 32.632 31.700 -1.363 0.000 1.008 215 V N -0.671 119.087 119.914 -0.261 0.000 3.078 215 V HA 0.621 4.716 4.120 -0.043 0.000 0.311 215 V C -0.599 175.534 176.094 0.066 0.000 1.138 215 V CA -1.178 61.118 62.300 -0.006 0.000 1.007 215 V CB 1.925 33.830 31.823 0.137 0.000 1.045 215 V HN 0.306 nan 8.190 nan 0.000 0.432 216 I N 2.781 123.428 120.570 0.128 0.000 2.377 216 I HA 0.569 4.714 4.170 -0.043 0.000 0.293 216 I C -1.014 175.168 176.117 0.108 0.000 0.987 216 I CA -0.653 60.697 61.300 0.083 0.000 1.185 216 I CB 1.773 39.785 38.000 0.021 0.000 1.341 216 I HN 0.556 nan 8.210 nan 0.000 0.455 217 L N 6.970 128.231 121.223 0.064 0.000 2.372 217 L HA 0.704 5.019 4.340 -0.043 0.000 0.273 217 L C -0.434 176.456 176.870 0.034 0.000 0.989 217 L CA -0.297 54.588 54.840 0.075 0.000 0.841 217 L CB 1.296 43.369 42.059 0.024 0.000 1.225 217 L HN 0.642 nan 8.230 nan 0.000 0.414 218 A N 3.622 126.466 122.820 0.040 0.000 2.274 218 A HA 0.684 4.979 4.320 -0.043 0.000 0.309 218 A C -0.580 177.011 177.584 0.012 0.000 1.226 218 A CA -0.437 51.599 52.037 -0.002 0.000 0.853 218 A CB 0.477 19.466 19.000 -0.019 0.000 1.146 218 A HN 0.732 nan 8.150 nan 0.000 0.518 219 D N 1.318 121.713 120.400 -0.007 0.000 2.712 219 D HA 0.639 5.253 4.640 -0.043 0.000 0.252 219 D C 1.507 177.798 176.300 -0.015 0.000 1.123 219 D CA 0.248 54.248 54.000 -0.000 0.000 1.109 219 D CB 1.733 42.539 40.800 0.009 0.000 1.313 219 D HN 0.390 nan 8.370 nan 0.000 0.629 220 A N -0.208 122.606 122.820 -0.009 0.000 1.892 220 A HA -0.191 4.104 4.320 -0.043 0.000 0.218 220 A C 2.253 179.833 177.584 -0.006 0.000 1.188 220 A CA 1.841 53.871 52.037 -0.011 0.000 0.631 220 A CB -1.013 17.986 19.000 -0.003 0.000 0.822 220 A HN 0.612 nan 8.150 nan 0.000 0.447 221 C N -1.603 117.699 119.300 0.004 0.000 2.539 221 C HA 0.016 4.450 4.460 -0.043 0.000 0.271 221 C C 2.727 177.743 174.990 0.043 0.000 1.412 221 C CA -0.123 58.929 59.018 0.058 0.000 1.729 221 C CB -2.343 25.453 27.740 0.094 0.000 1.739 221 C HN 0.794 nan 8.230 nan 0.000 0.570 222 C N 1.899 121.193 119.300 -0.011 0.000 2.413 222 C HA -0.130 4.304 4.460 -0.043 0.000 0.277 222 C C 3.163 178.143 174.990 -0.017 0.000 1.228 222 C CA 2.406 61.403 59.018 -0.035 0.000 1.731 222 C CB -1.154 26.552 27.740 -0.058 0.000 2.042 222 C HN 0.736 nan 8.230 nan 0.000 0.468 223 S N 0.031 115.723 115.700 -0.014 0.000 2.377 223 S HA -0.089 4.355 4.470 -0.043 0.000 0.223 223 S C 1.975 176.597 174.600 0.036 0.000 1.030 223 S CA 1.128 59.340 58.200 0.020 0.000 0.970 223 S CB -0.660 62.537 63.200 -0.005 0.000 0.830 223 S HN 0.624 nan 8.310 nan 0.000 0.473 224 R N 0.990 121.486 120.500 -0.005 0.000 2.120 224 R HA 0.027 4.341 4.340 -0.043 0.000 0.234 224 R C 1.154 177.265 176.300 -0.314 0.000 1.123 224 R CA 1.420 57.448 56.100 -0.121 0.000 0.975 224 R CB -0.324 29.885 30.300 -0.151 0.000 0.866 224 R HN 0.569 nan 8.270 nan 0.000 0.446 225 H N -0.714 118.325 119.070 -0.052 0.000 2.503 225 H HA 0.104 4.633 4.556 -0.044 0.000 0.296 225 H C -0.413 174.861 175.328 -0.089 0.000 1.097 225 H CA 0.147 56.139 56.048 -0.094 0.000 1.055 225 H CB 0.163 29.864 29.762 -0.102 0.000 1.580 225 H HN 0.192 nan 8.280 nan 0.000 0.546 226 D N 1.055 121.458 120.400 0.005 0.000 2.689 226 D HA -0.166 4.449 4.640 -0.043 0.000 0.237 226 D C 0.735 177.023 176.300 -0.020 0.000 1.148 226 D CA 0.861 54.862 54.000 0.002 0.000 0.656 226 D CB -1.211 39.595 40.800 0.011 0.000 1.050 226 D HN 0.344 nan 8.370 nan 0.000 0.426 227 V N -2.113 117.783 119.914 -0.031 0.000 3.276 227 V HA 0.300 4.394 4.120 -0.043 0.000 0.319 227 V C 1.978 178.025 176.094 -0.078 0.000 1.427 227 V CA 0.528 62.785 62.300 -0.071 0.000 1.102 227 V CB 0.458 32.216 31.823 -0.108 0.000 1.020 227 V HN 0.254 nan 8.190 nan 0.000 0.456 228 K N 1.845 122.217 120.400 -0.047 0.000 2.044 228 K HA -0.149 4.145 4.320 -0.043 0.000 0.210 228 K C 2.125 178.691 176.600 -0.056 0.000 1.049 228 K CA 2.234 58.492 56.287 -0.048 0.000 0.927 228 K CB -0.427 32.063 32.500 -0.017 0.000 0.713 228 K HN 0.576 nan 8.250 nan 0.000 0.443 229 A N 1.008 123.803 122.820 -0.042 0.000 1.877 229 A HA -0.198 4.096 4.320 -0.043 0.000 0.216 229 A C 1.903 179.451 177.584 -0.060 0.000 1.186 229 A CA 1.986 54.000 52.037 -0.039 0.000 0.620 229 A CB -0.583 18.404 19.000 -0.022 0.000 0.822 229 A HN 0.473 nan 8.150 nan 0.000 0.443 230 E N -1.139 119.015 120.200 -0.076 0.000 2.077 230 E HA -0.111 4.213 4.350 -0.043 0.000 0.193 230 E C 2.166 178.681 176.600 -0.143 0.000 0.989 230 E CA 1.541 57.880 56.400 -0.102 0.000 0.800 230 E CB -0.570 29.060 29.700 -0.116 0.000 0.746 230 E HN 0.581 nan 8.360 nan 0.000 0.452 231 T N 0.058 114.516 114.554 -0.160 0.000 2.746 231 T HA -0.224 4.100 4.350 -0.043 0.000 0.267 231 T C 1.834 176.437 174.700 -0.161 0.000 1.039 231 T CA 1.883 63.872 62.100 -0.185 0.000 1.142 231 T CB -0.159 68.605 68.868 -0.174 0.000 0.866 231 T HN -0.012 nan 8.240 nan 0.000 0.444 232 K N 1.021 121.346 120.400 -0.126 0.000 2.009 232 K HA -0.055 4.240 4.320 -0.043 0.000 0.210 232 K C 2.207 178.740 176.600 -0.112 0.000 1.049 232 K CA 1.806 58.024 56.287 -0.115 0.000 0.929 232 K CB -0.363 32.099 32.500 -0.064 0.000 0.714 232 K HN 0.365 nan 8.250 nan 0.000 0.440 233 K N -0.028 120.317 120.400 -0.091 0.000 2.097 233 K HA -0.129 4.165 4.320 -0.043 0.000 0.206 233 K C 2.065 178.595 176.600 -0.116 0.000 1.049 233 K CA 1.347 57.586 56.287 -0.081 0.000 0.933 233 K CB -0.303 32.157 32.500 -0.067 0.000 0.717 233 K HN 0.093 nan 8.250 nan 0.000 0.442 234 L N 1.428 122.561 121.223 -0.151 0.000 2.042 234 L HA -0.171 4.143 4.340 -0.043 0.000 0.210 234 L C 1.904 178.644 176.870 -0.217 0.000 1.076 234 L CA 1.566 56.294 54.840 -0.187 0.000 0.749 234 L CB -0.185 41.744 42.059 -0.217 0.000 0.893 234 L HN 0.138 nan 8.230 nan 0.000 0.432 235 I N -0.709 119.731 120.570 -0.218 0.000 2.179 235 I HA -0.282 3.862 4.170 -0.043 0.000 0.242 235 I C 2.081 178.078 176.117 -0.199 0.000 1.088 235 I CA 1.305 62.449 61.300 -0.260 0.000 1.357 235 I CB -0.603 37.156 38.000 -0.401 0.000 1.051 235 I HN 0.248 nan 8.210 nan 0.000 0.409 236 D N 0.912 121.242 120.400 -0.118 0.000 2.104 236 D HA -0.160 4.455 4.640 -0.043 0.000 0.194 236 D C 2.317 178.588 176.300 -0.049 0.000 0.994 236 D CA 1.456 55.460 54.000 0.007 0.000 0.830 236 D CB -0.295 40.524 40.800 0.032 0.000 0.959 236 D HN 0.295 nan 8.370 nan 0.000 0.452 237 L N -0.323 120.835 121.223 -0.108 0.000 2.179 237 L HA -0.066 4.248 4.340 -0.043 0.000 0.208 237 L C 2.439 179.192 176.870 -0.196 0.000 1.096 237 L CA 0.975 55.742 54.840 -0.121 0.000 0.779 237 L CB -0.220 41.770 42.059 -0.117 0.000 0.922 237 L HN 0.052 nan 8.230 nan 0.000 0.443 238 T N -2.144 112.204 114.554 -0.343 0.000 3.039 238 T HA -0.038 4.286 4.350 -0.043 0.000 0.250 238 T C 0.915 175.335 174.700 -0.466 0.000 1.052 238 T CA 0.160 61.859 62.100 -0.668 0.000 1.125 238 T CB 0.189 68.257 68.868 -1.334 0.000 0.908 238 T HN 0.296 nan 8.240 nan 0.000 0.473 239 Q N 0.259 119.930 119.800 -0.216 0.000 2.481 239 Q HA -0.143 4.171 4.340 -0.043 0.000 0.258 239 Q C -0.789 175.338 176.000 0.211 0.000 0.961 239 Q CA 0.450 56.279 55.803 0.044 0.000 1.121 239 Q CB -2.225 26.598 28.738 0.142 0.000 1.503 239 Q HN 0.480 nan 8.270 nan 0.000 0.544 240 F N 0.900 120.813 119.950 -0.061 0.000 2.459 240 F HA 0.262 4.763 4.527 -0.043 0.000 0.346 240 F C -1.289 174.455 175.800 -0.093 0.000 1.128 240 F CA -2.534 55.365 58.000 -0.169 0.000 1.268 240 F CB -0.617 38.222 39.000 -0.268 0.000 1.161 240 F HN -0.154 nan 8.300 nan 0.000 0.583 241 P HA 0.183 nan 4.420 nan 0.000 0.264 241 P C -1.130 176.011 177.300 -0.265 0.000 1.183 241 P CA 0.156 63.193 63.100 -0.105 0.000 0.763 241 P CB 0.435 32.153 31.700 0.031 0.000 0.807 242 A N 3.514 125.998 122.820 -0.560 0.000 2.330 242 A HA 0.761 5.055 4.320 -0.043 0.000 0.313 242 A C -1.147 176.031 177.584 -0.676 0.000 1.124 242 A CA -0.380 51.415 52.037 -0.402 0.000 0.774 242 A CB 0.476 19.351 19.000 -0.207 0.000 1.198 242 A HN 0.360 nan 8.150 nan 0.000 0.465 243 F N 0.962 120.877 119.950 -0.058 0.000 2.593 243 F HA 0.683 5.184 4.527 -0.043 0.000 0.320 243 F C 0.295 176.117 175.800 0.037 0.000 1.060 243 F CA -0.817 57.136 58.000 -0.079 0.000 0.940 243 F CB 2.391 41.332 39.000 -0.100 0.000 1.268 243 F HN 0.545 nan 8.300 nan 0.000 0.475 244 V N -1.794 118.289 119.914 0.281 0.000 2.960 244 V HA 0.840 4.935 4.120 -0.043 0.000 0.315 244 V C -0.222 175.960 176.094 0.147 0.000 1.087 244 V CA -0.829 61.579 62.300 0.180 0.000 0.982 244 V CB 1.237 33.147 31.823 0.145 0.000 1.039 244 V HN 0.896 nan 8.190 nan 0.000 0.437 245 T N -0.146 114.462 114.554 0.089 0.000 2.847 245 T HA 0.498 4.823 4.350 -0.043 0.000 0.279 245 T C -1.725 172.965 174.700 -0.017 0.000 0.984 245 T CA -1.426 60.701 62.100 0.046 0.000 0.988 245 T CB 1.148 70.038 68.868 0.038 0.000 1.040 245 T HN 0.549 nan 8.240 nan 0.000 0.528 246 P HA -0.107 nan 4.420 nan 0.000 0.216 246 P C 1.710 178.961 177.300 -0.082 0.000 1.157 246 P CA 1.583 64.617 63.100 -0.110 0.000 0.880 246 P CB -0.093 31.505 31.700 -0.171 0.000 0.791 247 M N -1.977 117.586 119.600 -0.061 0.000 2.296 247 M HA -0.006 4.449 4.480 -0.043 0.000 0.265 247 M C 1.969 178.243 176.300 -0.043 0.000 1.064 247 M CA 1.732 57.007 55.300 -0.042 0.000 1.109 247 M CB -0.798 31.787 32.600 -0.025 0.000 1.396 247 M HN -0.015 nan 8.290 nan 0.000 0.430 248 G N -0.072 108.707 108.800 -0.036 0.000 2.985 248 G HA2 -0.024 3.911 3.960 -0.043 0.000 0.209 248 G HA3 -0.024 3.911 3.960 -0.043 0.000 0.209 248 G C 0.508 175.377 174.900 -0.053 0.000 1.165 248 G CA -0.300 44.776 45.100 -0.041 0.000 0.776 248 G HN 0.271 nan 8.290 nan 0.000 0.541 249 K N 0.628 120.998 120.400 -0.052 0.000 2.447 249 K HA 0.356 4.650 4.320 -0.043 0.000 0.281 249 K C 1.321 177.927 176.600 0.011 0.000 1.031 249 K CA 0.865 57.118 56.287 -0.056 0.000 1.019 249 K CB 0.107 32.531 32.500 -0.127 0.000 0.918 249 K HN 0.205 nan 8.250 nan 0.000 0.476 250 G N 1.802 110.628 108.800 0.043 0.000 2.284 250 G HA2 -0.320 3.615 3.960 -0.043 0.000 0.216 250 G HA3 -0.320 3.615 3.960 -0.043 0.000 0.216 250 G C 0.777 175.642 174.900 -0.059 0.000 1.009 250 G CA 0.419 45.565 45.100 0.077 0.000 0.625 250 G HN 0.712 nan 8.290 nan 0.000 0.501 251 S N -0.157 115.489 115.700 -0.090 0.000 2.522 251 S HA 0.467 4.912 4.470 -0.043 0.000 0.227 251 S C 0.907 175.469 174.600 -0.064 0.000 0.986 251 S CA 0.624 58.776 58.200 -0.080 0.000 0.929 251 S CB 0.092 63.245 63.200 -0.078 0.000 0.769 251 S HN 0.597 nan 8.310 nan 0.000 0.529 252 I N 2.129 122.657 120.570 -0.071 0.000 2.433 252 I HA 0.335 4.479 4.170 -0.043 0.000 0.292 252 I C -1.082 174.935 176.117 -0.167 0.000 1.001 252 I CA -0.948 60.296 61.300 -0.093 0.000 1.119 252 I CB 1.733 39.710 38.000 -0.038 0.000 1.289 252 I HN -0.035 nan 8.210 nan 0.000 0.438 253 D N 5.981 126.302 120.400 -0.132 0.000 2.371 253 D HA 0.044 4.658 4.640 -0.043 0.000 0.256 253 D C 0.746 176.884 176.300 -0.270 0.000 1.193 253 D CA 0.267 54.187 54.000 -0.133 0.000 0.881 253 D CB 1.091 41.866 40.800 -0.041 0.000 1.143 253 D HN 0.525 nan 8.370 nan 0.000 0.473 254 E N 1.057 121.009 120.200 -0.413 0.000 2.511 254 E HA -0.084 4.241 4.350 -0.043 0.000 0.196 254 E C 0.912 177.366 176.600 -0.244 0.000 1.066 254 E CA 0.310 56.243 56.400 -0.779 0.000 0.871 254 E CB 0.332 29.572 29.700 -0.766 0.000 0.863 254 E HN 0.324 nan 8.360 nan 0.000 0.520 255 Q N 0.063 119.810 119.800 -0.090 0.000 2.360 255 Q HA 0.007 4.322 4.340 -0.043 0.000 0.202 255 Q C 0.388 176.406 176.000 0.031 0.000 0.915 255 Q CA 0.252 56.052 55.803 -0.006 0.000 0.943 255 Q CB 0.061 28.790 28.738 -0.014 0.000 1.064 255 Q HN 0.348 nan 8.270 nan 0.000 0.511 256 H N 2.336 121.393 119.070 -0.022 0.000 2.848 256 H HA 0.028 4.558 4.556 -0.043 0.000 0.341 256 H C -1.572 173.780 175.328 0.040 0.000 1.060 256 H CA -1.347 54.705 56.048 0.006 0.000 1.444 256 H CB 1.433 31.196 29.762 0.001 0.000 1.446 256 H HN -0.145 nan 8.280 nan 0.000 0.583 257 P HA -0.100 nan 4.420 nan 0.000 0.219 257 P C 0.965 178.358 177.300 0.155 0.000 1.146 257 P CA 1.051 64.154 63.100 0.006 0.000 0.808 257 P CB 0.391 32.031 31.700 -0.101 0.000 0.779 258 R N -2.360 118.398 120.500 0.430 0.000 2.334 258 R HA 0.127 4.441 4.340 -0.043 0.000 0.216 258 R C 0.304 176.613 176.300 0.014 0.000 0.905 258 R CA -0.465 55.755 56.100 0.200 0.000 1.064 258 R CB -1.053 29.356 30.300 0.183 0.000 1.046 258 R HN 0.302 nan 8.270 nan 0.000 0.508 259 Y N 0.719 120.998 120.300 -0.036 0.000 2.496 259 Y HA 0.250 4.774 4.550 -0.043 0.000 0.334 259 Y C 1.317 177.071 175.900 -0.244 0.000 1.080 259 Y CA -0.002 57.989 58.100 -0.183 0.000 1.355 259 Y CB 0.873 39.285 38.460 -0.079 0.000 1.193 259 Y HN 0.084 nan 8.280 nan 0.000 0.523 260 G N 2.904 111.010 108.800 -1.156 0.000 3.044 260 G HA2 0.460 4.394 3.960 -0.043 0.000 0.223 260 G HA3 0.460 4.394 3.960 -0.043 0.000 0.223 260 G C 0.393 174.947 174.900 -0.577 0.000 1.123 260 G CA 0.292 44.862 45.100 -0.884 0.000 0.765 260 G HN 1.344 nan 8.290 nan 0.000 0.546 261 G N -1.174 106.910 108.800 -1.194 0.000 2.331 261 G HA2 0.124 4.059 3.960 -0.043 0.000 0.479 261 G HA3 0.124 4.059 3.960 -0.043 0.000 0.479 261 G C -1.199 173.668 174.900 -0.056 0.000 1.262 261 G CA -0.351 44.454 45.100 -0.492 0.000 1.029 261 G HN 0.668 nan 8.290 nan 0.000 0.487 262 V N 0.888 120.842 119.914 0.068 0.000 2.350 262 V HA 0.478 4.573 4.120 -0.043 0.000 0.276 262 V C -0.255 175.891 176.094 0.088 0.000 1.028 262 V CA -0.488 61.866 62.300 0.090 0.000 0.860 262 V CB 1.156 32.982 31.823 0.004 0.000 0.990 262 V HN 0.817 nan 8.190 nan 0.000 0.453 263 Y N 5.581 125.867 120.300 -0.024 0.000 2.452 263 Y HA 0.456 4.980 4.550 -0.043 0.000 0.348 263 Y C 0.402 176.258 175.900 -0.073 0.000 0.985 263 Y CA -0.469 57.573 58.100 -0.098 0.000 1.214 263 Y CB 1.089 39.453 38.460 -0.160 0.000 1.136 263 Y HN 0.394 nan 8.280 nan 0.000 0.523 264 V N 6.592 126.183 119.914 -0.538 0.000 2.841 264 V HA 0.372 4.466 4.120 -0.043 0.000 0.363 264 V C 1.075 176.858 176.094 -0.518 0.000 1.330 264 V CA -0.057 61.977 62.300 -0.443 0.000 1.207 264 V CB -0.440 31.258 31.823 -0.209 0.000 1.318 264 V HN 1.195 nan 8.190 nan 0.000 0.603 265 G N 2.595 110.810 108.800 -0.975 0.000 2.611 265 G HA2 -0.419 3.516 3.960 -0.043 0.000 0.301 265 G HA3 -0.419 3.516 3.960 -0.043 0.000 0.301 265 G C 1.198 175.932 174.900 -0.277 0.000 1.233 265 G CA 1.270 46.025 45.100 -0.575 0.000 0.993 265 G HN 0.969 nan 8.290 nan 0.000 0.553 266 T N -0.011 114.457 114.554 -0.145 0.000 3.025 266 T HA 0.112 4.437 4.350 -0.043 0.000 0.270 266 T C 2.199 176.856 174.700 -0.072 0.000 1.126 266 T CA 1.904 63.957 62.100 -0.078 0.000 1.105 266 T CB -0.221 68.618 68.868 -0.049 0.000 0.884 266 T HN 0.697 nan 8.240 nan 0.000 0.522 267 L N 0.955 122.124 121.223 -0.091 0.000 2.592 267 L HA 0.261 4.575 4.340 -0.043 0.000 0.227 267 L C 0.798 177.628 176.870 -0.066 0.000 1.127 267 L CA -0.372 54.436 54.840 -0.053 0.000 0.884 267 L CB -0.500 41.559 42.059 0.000 0.000 1.065 267 L HN 0.129 nan 8.230 nan 0.000 0.457 268 S N 0.276 115.913 115.700 -0.105 0.000 2.593 268 S HA 0.173 4.618 4.470 -0.043 0.000 0.269 268 S C 0.310 174.889 174.600 -0.035 0.000 1.334 268 S CA -0.525 57.630 58.200 -0.077 0.000 1.015 268 S CB 0.808 63.961 63.200 -0.077 0.000 0.912 268 S HN 0.161 nan 8.310 nan 0.000 0.541 269 K N 2.065 122.455 120.400 -0.017 0.000 2.485 269 K HA 0.020 4.315 4.320 -0.043 0.000 0.277 269 K C -1.648 174.951 176.600 -0.002 0.000 0.990 269 K CA -1.106 55.179 56.287 -0.004 0.000 0.994 269 K CB -0.022 32.481 32.500 0.006 0.000 0.906 269 K HN 0.300 nan 8.250 nan 0.000 0.488 270 P HA -0.234 nan 4.420 nan 0.000 0.216 270 P C 0.676 177.977 177.300 0.001 0.000 1.157 270 P CA 1.379 64.478 63.100 -0.002 0.000 0.880 270 P CB 0.205 31.905 31.700 -0.000 0.000 0.791 271 E N -0.679 119.526 120.200 0.009 0.000 2.085 271 E HA -0.134 4.190 4.350 -0.043 0.000 0.194 271 E C 1.947 178.555 176.600 0.013 0.000 0.994 271 E CA 1.198 57.609 56.400 0.017 0.000 0.801 271 E CB -0.434 29.285 29.700 0.031 0.000 0.743 271 E HN 0.029 nan 8.360 nan 0.000 0.453 272 V N 1.461 121.386 119.914 0.018 0.000 2.261 272 V HA -0.272 3.822 4.120 -0.043 0.000 0.246 272 V C 2.437 178.473 176.094 -0.096 0.000 1.047 272 V CA 1.910 64.200 62.300 -0.017 0.000 1.015 272 V CB -0.502 31.344 31.823 0.039 0.000 0.642 272 V HN 0.230 nan 8.190 nan 0.000 0.446 273 K N 0.270 120.671 120.400 0.001 0.000 2.020 273 K HA -0.320 3.975 4.320 -0.043 0.000 0.212 273 K C 2.223 178.816 176.600 -0.012 0.000 1.050 273 K CA 2.390 58.718 56.287 0.068 0.000 0.929 273 K CB -0.176 32.344 32.500 0.033 0.000 0.714 273 K HN 0.513 nan 8.250 nan 0.000 0.443 274 E N 0.476 120.653 120.200 -0.038 0.000 2.051 274 E HA -0.154 4.170 4.350 -0.043 0.000 0.192 274 E C 1.656 178.196 176.600 -0.099 0.000 0.991 274 E CA 1.741 58.111 56.400 -0.051 0.000 0.799 274 E CB -0.357 29.328 29.700 -0.026 0.000 0.748 274 E HN 0.380 nan 8.360 nan 0.000 0.449 275 A N 0.208 122.953 122.820 -0.126 0.000 1.933 275 A HA -0.104 4.191 4.320 -0.043 0.000 0.218 275 A C 2.480 179.881 177.584 -0.305 0.000 1.175 275 A CA 1.688 53.643 52.037 -0.137 0.000 0.628 275 A CB -0.656 18.343 19.000 -0.002 0.000 0.814 275 A HN 0.214 nan 8.150 nan 0.000 0.444 276 V N -0.178 119.395 119.914 -0.569 0.000 2.283 276 V HA -0.195 3.900 4.120 -0.043 0.000 0.243 276 V C 2.198 178.027 176.094 -0.442 0.000 1.039 276 V CA 2.015 63.895 62.300 -0.701 0.000 1.016 276 V CB -0.882 30.211 31.823 -1.216 0.000 0.650 276 V HN 0.611 nan 8.190 nan 0.000 0.449 277 E N 0.744 120.753 120.200 -0.319 0.000 2.409 277 E HA -0.114 4.210 4.350 -0.043 0.000 0.198 277 E C 1.902 178.428 176.600 -0.124 0.000 1.024 277 E CA 1.139 57.436 56.400 -0.172 0.000 0.861 277 E CB -0.076 29.593 29.700 -0.051 0.000 0.788 277 E HN 0.720 nan 8.360 nan 0.000 0.521 278 S N -0.430 115.193 115.700 -0.130 0.000 2.557 278 S HA 0.353 4.797 4.470 -0.043 0.000 0.223 278 S C 0.684 175.228 174.600 -0.093 0.000 0.969 278 S CA -0.389 57.758 58.200 -0.088 0.000 0.927 278 S CB 0.558 63.720 63.200 -0.064 0.000 0.806 278 S HN 0.162 nan 8.310 nan 0.000 0.489 279 A N 2.401 125.143 122.820 -0.130 0.000 2.407 279 A HA 0.428 4.723 4.320 -0.043 0.000 0.248 279 A C 1.030 178.548 177.584 -0.109 0.000 1.082 279 A CA 0.094 52.054 52.037 -0.129 0.000 0.785 279 A CB 0.239 19.141 19.000 -0.164 0.000 1.020 279 A HN 0.524 nan 8.150 nan 0.000 0.489 280 D N 0.162 120.497 120.400 -0.107 0.000 2.389 280 D HA 0.202 4.816 4.640 -0.043 0.000 0.206 280 D C -0.029 176.213 176.300 -0.096 0.000 1.055 280 D CA 0.140 54.088 54.000 -0.087 0.000 0.856 280 D CB 0.055 40.813 40.800 -0.069 0.000 0.957 280 D HN 0.303 nan 8.370 nan 0.000 0.509 281 L N -0.002 121.142 121.223 -0.132 0.000 2.472 281 L HA 0.556 4.870 4.340 -0.043 0.000 0.260 281 L C -2.008 174.782 176.870 -0.133 0.000 0.963 281 L CA -0.814 53.952 54.840 -0.125 0.000 0.829 281 L CB 2.399 44.370 42.059 -0.147 0.000 1.348 281 L HN -0.094 nan 8.230 nan 0.000 0.408 282 I N 5.214 125.736 120.570 -0.080 0.000 2.466 282 I HA 0.384 4.528 4.170 -0.043 0.000 0.289 282 I C -0.912 175.213 176.117 0.013 0.000 1.026 282 I CA -0.508 60.759 61.300 -0.056 0.000 1.078 282 I CB 2.009 39.964 38.000 -0.074 0.000 1.249 282 I HN 0.449 nan 8.210 nan 0.000 0.429 283 L N 5.393 126.655 121.223 0.064 0.000 2.288 283 L HA 0.331 4.646 4.340 -0.043 0.000 0.283 283 L C 0.279 177.230 176.870 0.134 0.000 1.072 283 L CA -0.116 54.828 54.840 0.173 0.000 0.862 283 L CB 0.967 43.147 42.059 0.201 0.000 1.245 283 L HN 0.555 nan 8.230 nan 0.000 0.432 284 S N 3.361 119.155 115.700 0.157 0.000 2.422 284 S HA 0.475 4.919 4.470 -0.043 0.000 0.298 284 S C -0.352 174.305 174.600 0.096 0.000 1.118 284 S CA -0.564 57.678 58.200 0.070 0.000 1.083 284 S CB 0.872 64.079 63.200 0.012 0.000 0.971 284 S HN 0.279 nan 8.310 nan 0.000 0.478 285 V N 5.081 124.987 119.914 -0.014 0.000 2.311 285 V HA 0.628 4.723 4.120 -0.043 0.000 0.275 285 V C 1.130 177.163 176.094 -0.100 0.000 1.022 285 V CA 0.049 62.295 62.300 -0.089 0.000 0.830 285 V CB 0.230 31.926 31.823 -0.211 0.000 1.012 285 V HN 1.263 nan 8.190 nan 0.000 0.452 286 G N 4.141 112.846 108.800 -0.158 0.000 2.225 286 G HA2 -0.044 3.891 3.960 -0.043 0.000 0.264 286 G HA3 -0.044 3.891 3.960 -0.043 0.000 0.264 286 G C 0.354 175.220 174.900 -0.056 0.000 1.060 286 G CA -0.009 45.023 45.100 -0.112 0.000 0.833 286 G HN 1.485 nan 8.290 nan 0.000 0.498 287 A N -0.751 122.016 122.820 -0.088 0.000 2.540 287 A HA 0.688 4.982 4.320 -0.043 0.000 0.239 287 A C 0.511 178.176 177.584 0.136 0.000 1.061 287 A CA 1.030 53.099 52.037 0.054 0.000 0.758 287 A CB 0.683 19.736 19.000 0.088 0.000 0.991 287 A HN 1.585 nan 8.150 nan 0.000 0.502 304 K N 1.331 121.717 120.400 -0.023 0.000 2.374 304 K HA 0.377 4.672 4.320 -0.043 0.000 0.202 304 K C 0.424 177.015 176.600 -0.015 0.000 1.040 304 K CA -0.227 56.052 56.287 -0.014 0.000 1.085 304 K CB 0.148 32.642 32.500 -0.009 0.000 0.873 304 K HN 0.220 nan 8.250 nan 0.000 0.539 305 N N 2.163 120.849 118.700 -0.024 0.000 2.739 305 N HA 0.195 4.910 4.740 -0.043 0.000 0.266 305 N C -1.298 174.194 175.510 -0.029 0.000 1.168 305 N CA -0.266 52.769 53.050 -0.025 0.000 1.055 305 N CB -0.190 38.276 38.487 -0.034 0.000 1.393 305 N HN 0.308 nan 8.380 nan 0.000 0.514 306 I N 1.684 122.244 120.570 -0.018 0.000 2.466 306 I HA 0.257 4.401 4.170 -0.043 0.000 0.289 306 I C -0.484 175.620 176.117 -0.021 0.000 1.026 306 I CA -1.175 60.115 61.300 -0.017 0.000 1.078 306 I CB 2.184 40.178 38.000 -0.009 0.000 1.249 306 I HN -0.121 nan 8.210 nan 0.000 0.429 307 V N 5.770 125.665 119.914 -0.031 0.000 2.348 307 V HA 0.230 4.324 4.120 -0.043 0.000 0.270 307 V C 0.059 176.078 176.094 -0.125 0.000 1.037 307 V CA -0.524 61.708 62.300 -0.112 0.000 0.872 307 V CB 0.835 32.574 31.823 -0.140 0.000 1.002 307 V HN 0.674 nan 8.190 nan 0.000 0.464 308 E N 4.891 124.991 120.200 -0.167 0.000 2.081 308 E HA 0.396 4.720 4.350 -0.043 0.000 0.281 308 E C -1.144 175.229 176.600 -0.378 0.000 0.986 308 E CA -0.299 55.986 56.400 -0.191 0.000 0.796 308 E CB 1.155 30.834 29.700 -0.035 0.000 1.085 308 E HN 0.538 nan 8.360 nan 0.000 0.398 309 F N 3.209 122.948 119.950 -0.350 0.000 2.420 309 F HA 0.253 4.754 4.527 -0.043 0.000 0.352 309 F C 0.912 176.376 175.800 -0.560 0.000 1.108 309 F CA -0.192 57.605 58.000 -0.337 0.000 1.162 309 F CB 0.652 39.514 39.000 -0.230 0.000 1.118 309 F HN 0.381 nan 8.300 nan 0.000 0.510 310 H N 0.044 119.019 119.070 -0.159 0.000 2.946 310 H HA 0.172 4.703 4.556 -0.041 0.000 0.365 310 H C 0.667 175.850 175.328 -0.242 0.000 1.197 310 H CA -0.258 55.635 56.048 -0.258 0.000 1.131 310 H CB 2.105 31.533 29.762 -0.556 0.000 1.849 310 H HN 0.537 nan 8.280 nan 0.000 0.555 311 S N -0.008 115.592 115.700 -0.166 0.000 2.402 311 S HA -0.163 4.281 4.470 -0.043 0.000 0.229 311 S C 0.887 175.368 174.600 -0.199 0.000 1.021 311 S CA 1.654 59.623 58.200 -0.384 0.000 0.974 311 S CB -0.061 62.483 63.200 -1.094 0.000 0.800 311 S HN 0.728 nan 8.310 nan 0.000 0.484 312 D N 0.507 120.877 120.400 -0.050 0.000 2.469 312 D HA 0.113 4.727 4.640 -0.043 0.000 0.213 312 D C 0.474 176.891 176.300 0.194 0.000 1.135 312 D CA -0.214 53.824 54.000 0.062 0.000 0.834 312 D CB -0.284 40.564 40.800 0.079 0.000 1.009 312 D HN 0.744 nan 8.370 nan 0.000 0.507 313 H N -2.444 116.651 119.070 0.042 0.000 2.935 313 H HA 0.454 4.985 4.556 -0.042 0.000 0.297 313 H C -1.674 173.724 175.328 0.116 0.000 1.423 313 H CA -0.891 55.202 56.048 0.076 0.000 1.161 313 H CB 0.466 30.256 29.762 0.046 0.000 1.841 313 H HN -0.218 nan 8.280 nan 0.000 0.506 314 M N 1.254 120.916 119.600 0.103 0.000 2.591 314 M HA 0.467 4.922 4.480 -0.043 0.000 0.306 314 M C -0.592 175.852 176.300 0.240 0.000 1.190 314 M CA -0.611 54.687 55.300 -0.004 0.000 0.889 314 M CB 2.619 35.142 32.600 -0.128 0.000 1.728 314 M HN 0.703 nan 8.290 nan 0.000 0.458 315 K N 2.020 122.497 120.400 0.128 0.000 2.468 315 K HA 0.737 5.032 4.320 -0.043 0.000 0.252 315 K C -1.868 174.787 176.600 0.092 0.000 0.932 315 K CA -0.432 55.979 56.287 0.207 0.000 0.794 315 K CB 2.039 34.660 32.500 0.203 0.000 1.241 315 K HN 0.719 nan 8.250 nan 0.000 0.428 316 I N 5.554 126.224 120.570 0.167 0.000 2.439 316 I HA 0.329 4.473 4.170 -0.043 0.000 0.283 316 I C 0.528 176.692 176.117 0.079 0.000 1.023 316 I CA -0.718 60.632 61.300 0.083 0.000 1.100 316 I CB 1.512 39.573 38.000 0.101 0.000 1.238 316 I HN 0.859 nan 8.210 nan 0.000 0.445 317 R N 3.193 123.714 120.500 0.036 0.000 3.869 317 R HA -0.274 4.041 4.340 -0.043 0.000 0.424 317 R C 0.664 176.982 176.300 0.030 0.000 0.241 317 R CA 1.848 57.964 56.100 0.026 0.000 1.351 317 R CB -0.862 29.450 30.300 0.020 0.000 0.979 317 R HN 0.638 nan 8.270 nan 0.000 0.572 318 N N 1.258 119.968 118.700 0.016 0.000 2.422 318 N HA 0.128 4.843 4.740 -0.043 0.000 0.181 318 N C -0.088 175.409 175.510 -0.022 0.000 1.080 318 N CA 0.812 53.862 53.050 -0.000 0.000 0.893 318 N CB 0.437 38.918 38.487 -0.011 0.000 0.973 318 N HN 0.427 nan 8.380 nan 0.000 0.456 319 A N 1.034 123.844 122.820 -0.017 0.000 2.320 319 A HA 0.446 4.740 4.320 -0.043 0.000 0.287 319 A C 0.189 177.692 177.584 -0.135 0.000 1.181 319 A CA -0.059 51.902 52.037 -0.126 0.000 0.831 319 A CB 0.367 19.294 19.000 -0.122 0.000 1.102 319 A HN -0.029 nan 8.150 nan 0.000 0.513 320 T N 1.978 116.378 114.554 -0.257 0.000 2.895 320 T HA 0.585 4.910 4.350 -0.043 0.000 0.283 320 T C -0.864 173.619 174.700 -0.363 0.000 1.014 320 T CA 0.151 62.180 62.100 -0.119 0.000 1.037 320 T CB 0.479 69.321 68.868 -0.044 0.000 1.006 320 T HN 0.341 nan 8.240 nan 0.000 0.468 321 F N 2.779 122.766 119.950 0.062 0.000 2.564 321 F HA 0.347 4.848 4.527 -0.043 0.000 0.361 321 F C -2.333 173.515 175.800 0.081 0.000 1.161 321 F CA -2.522 55.507 58.000 0.048 0.000 1.198 321 F CB 0.774 39.789 39.000 0.025 0.000 1.424 321 F HN 0.255 nan 8.300 nan 0.000 0.517 322 P HA 0.143 nan 4.420 nan 0.000 0.265 322 P C 1.002 178.384 177.300 0.137 0.000 1.193 322 P CA 1.039 64.203 63.100 0.106 0.000 0.765 322 P CB 0.870 32.581 31.700 0.018 0.000 0.823 323 G N 1.239 110.124 108.800 0.141 0.000 2.205 323 G HA2 -0.240 3.694 3.960 -0.043 0.000 0.261 323 G HA3 -0.240 3.694 3.960 -0.043 0.000 0.261 323 G C 0.068 175.048 174.900 0.133 0.000 0.980 323 G CA 0.012 45.184 45.100 0.119 0.000 0.632 323 G HN 0.536 nan 8.290 nan 0.000 0.533 324 V N 2.195 122.204 119.914 0.158 0.000 2.387 324 V HA 0.344 4.438 4.120 -0.043 0.000 0.260 324 V C 0.697 176.846 176.094 0.091 0.000 1.054 324 V CA 0.051 62.425 62.300 0.124 0.000 0.967 324 V CB 1.104 32.988 31.823 0.101 0.000 1.036 324 V HN 0.471 nan 8.190 nan 0.000 0.481 325 Q N 4.467 124.329 119.800 0.102 0.000 2.286 325 Q HA 0.287 4.601 4.340 -0.043 0.000 0.257 325 Q C 1.344 177.341 176.000 -0.005 0.000 0.941 325 Q CA -0.287 55.535 55.803 0.031 0.000 0.912 325 Q CB 1.569 30.323 28.738 0.027 0.000 1.192 325 Q HN 0.871 nan 8.270 nan 0.000 0.410 326 M N 1.436 121.010 119.600 -0.042 0.000 2.213 326 M HA -0.158 4.296 4.480 -0.043 0.000 0.263 326 M C 1.664 177.942 176.300 -0.037 0.000 1.062 326 M CA 1.653 56.977 55.300 0.041 0.000 1.105 326 M CB -0.244 32.414 32.600 0.096 0.000 1.385 326 M HN 0.417 nan 8.290 nan 0.000 0.417 327 K N 1.102 121.366 120.400 -0.227 0.000 2.034 327 K HA -0.156 4.138 4.320 -0.043 0.000 0.214 327 K C 1.318 177.762 176.600 -0.260 0.000 1.051 327 K CA 2.363 58.440 56.287 -0.351 0.000 0.931 327 K CB -0.524 31.594 32.500 -0.637 0.000 0.715 327 K HN 0.474 nan 8.250 nan 0.000 0.446 328 F N -0.194 119.771 119.950 0.025 0.000 2.293 328 F HA 0.014 4.515 4.527 -0.043 0.000 0.297 328 F C 2.182 177.997 175.800 0.024 0.000 1.089 328 F CA 0.405 58.417 58.000 0.020 0.000 1.377 328 F CB -0.798 38.212 39.000 0.017 0.000 1.051 328 F HN -0.166 nan 8.300 nan 0.000 0.511 329 V N 0.434 120.460 119.914 0.186 0.000 2.287 329 V HA -0.294 3.801 4.120 -0.043 0.000 0.248 329 V C 2.473 178.656 176.094 0.150 0.000 1.053 329 V CA 1.688 64.073 62.300 0.141 0.000 1.027 329 V CB -0.813 31.081 31.823 0.119 0.000 0.646 329 V HN 0.295 nan 8.190 nan 0.000 0.447 330 L N -0.618 120.681 121.223 0.126 0.000 2.046 330 L HA -0.244 4.070 4.340 -0.043 0.000 0.208 330 L C 2.769 179.645 176.870 0.010 0.000 1.077 330 L CA 1.689 56.542 54.840 0.022 0.000 0.747 330 L CB -0.598 41.388 42.059 -0.122 0.000 0.896 330 L HN 0.391 nan 8.230 nan 0.000 0.432 331 Q N -0.043 119.780 119.800 0.039 0.000 2.002 331 Q HA -0.283 4.031 4.340 -0.043 0.000 0.204 331 Q C 2.286 178.312 176.000 0.044 0.000 0.988 331 Q CA 1.851 57.682 55.803 0.047 0.000 0.843 331 Q CB -0.163 28.636 28.738 0.103 0.000 0.908 331 Q HN 0.424 nan 8.270 nan 0.000 0.420 332 K N 0.592 121.029 120.400 0.063 0.000 2.097 332 K HA -0.071 4.224 4.320 -0.043 0.000 0.205 332 K C 2.086 178.703 176.600 0.029 0.000 1.050 332 K CA 0.676 56.989 56.287 0.044 0.000 0.938 332 K CB -0.122 32.406 32.500 0.047 0.000 0.718 332 K HN 0.120 nan 8.250 nan 0.000 0.442 333 L N 0.772 122.018 121.223 0.039 0.000 2.013 333 L HA -0.260 4.055 4.340 -0.043 0.000 0.212 333 L C 2.125 178.998 176.870 0.004 0.000 1.073 333 L CA 1.399 56.257 54.840 0.032 0.000 0.753 333 L CB -0.301 41.797 42.059 0.065 0.000 0.890 333 L HN 0.252 nan 8.230 nan 0.000 0.432 334 L N -1.209 120.009 121.223 -0.009 0.000 2.083 334 L HA -0.221 4.093 4.340 -0.043 0.000 0.209 334 L C 2.473 179.332 176.870 -0.019 0.000 1.083 334 L CA 1.445 56.269 54.840 -0.028 0.000 0.752 334 L CB -0.862 41.176 42.059 -0.035 0.000 0.899 334 L HN 0.238 nan 8.230 nan 0.000 0.433 335 T N -0.133 114.418 114.554 -0.005 0.000 2.802 335 T HA -0.185 4.139 4.350 -0.043 0.000 0.269 335 T C 1.353 176.050 174.700 -0.005 0.000 1.062 335 T CA 1.853 63.951 62.100 -0.003 0.000 1.133 335 T CB -0.191 68.680 68.868 0.005 0.000 0.852 335 T HN 0.365 nan 8.240 nan 0.000 0.485 336 N N -0.816 117.880 118.700 -0.006 0.000 2.317 336 N HA 0.274 4.989 4.740 -0.043 0.000 0.199 336 N C 1.265 176.768 175.510 -0.012 0.000 1.145 336 N CA -0.188 52.859 53.050 -0.006 0.000 0.882 336 N CB -0.047 38.441 38.487 0.001 0.000 1.113 336 N HN 0.168 nan 8.380 nan 0.000 0.486 337 I N 1.527 122.084 120.570 -0.022 0.000 2.335 337 I HA -0.212 3.932 4.170 -0.043 0.000 0.251 337 I C 1.914 178.001 176.117 -0.051 0.000 1.129 337 I CA 0.889 62.167 61.300 -0.036 0.000 1.402 337 I CB -0.293 37.671 38.000 -0.060 0.000 1.069 337 I HN 0.155 nan 8.210 nan 0.000 0.424 338 A N 0.048 122.838 122.820 -0.050 0.000 1.903 338 A HA -0.369 3.925 4.320 -0.043 0.000 0.219 338 A C 2.114 179.685 177.584 -0.022 0.000 1.191 338 A CA 2.457 54.465 52.037 -0.048 0.000 0.638 338 A CB -1.300 17.680 19.000 -0.034 0.000 0.823 338 A HN 0.605 nan 8.150 nan 0.000 0.451 339 D N -0.296 120.099 120.400 -0.007 0.000 2.123 339 D HA -0.058 4.556 4.640 -0.043 0.000 0.196 339 D C 1.872 178.186 176.300 0.023 0.000 0.992 339 D CA 1.791 55.797 54.000 0.009 0.000 0.833 339 D CB -0.272 40.533 40.800 0.009 0.000 0.954 339 D HN 0.368 nan 8.370 nan 0.000 0.455 340 A N -0.479 122.355 122.820 0.022 0.000 2.172 340 A HA 0.274 4.568 4.320 -0.043 0.000 0.216 340 A C 1.989 179.623 177.584 0.083 0.000 1.154 340 A CA 1.531 53.595 52.037 0.046 0.000 0.701 340 A CB -0.353 18.672 19.000 0.042 0.000 0.789 340 A HN 0.332 nan 8.150 nan 0.000 0.465 341 A N -1.032 121.832 122.820 0.073 0.000 2.508 341 A HA 0.276 4.570 4.320 -0.043 0.000 0.257 341 A C 1.528 179.222 177.584 0.183 0.000 1.226 341 A CA 0.035 52.162 52.037 0.151 0.000 0.947 341 A CB 0.040 19.039 19.000 -0.003 0.000 1.079 341 A HN 0.347 nan 8.150 nan 0.000 0.531 342 K N 0.055 120.522 120.400 0.111 0.000 2.283 342 K HA -0.071 4.223 4.320 -0.043 0.000 0.202 342 K C 1.799 178.463 176.600 0.107 0.000 1.048 342 K CA 1.089 57.434 56.287 0.096 0.000 0.948 342 K CB -0.111 32.421 32.500 0.052 0.000 0.742 342 K HN 0.421 nan 8.250 nan 0.000 0.458 343 G N 0.881 109.755 108.800 0.124 0.000 2.534 343 G HA2 -0.225 3.709 3.960 -0.043 0.000 0.217 343 G HA3 -0.225 3.709 3.960 -0.043 0.000 0.217 343 G C 0.330 175.321 174.900 0.151 0.000 1.128 343 G CA -0.035 45.132 45.100 0.111 0.000 0.784 343 G HN 0.257 nan 8.290 nan 0.000 0.542 344 Y N 2.362 122.724 120.300 0.103 0.000 2.465 344 Y HA 0.312 4.837 4.550 -0.042 0.000 0.331 344 Y C 0.210 176.169 175.900 0.097 0.000 1.102 344 Y CA -0.791 57.386 58.100 0.128 0.000 1.358 344 Y CB 0.562 39.198 38.460 0.293 0.000 1.213 344 Y HN -0.136 nan 8.280 nan 0.000 0.525 345 K N 8.817 128.898 120.400 -0.531 0.000 2.292 345 K HA 0.264 4.558 4.320 -0.043 0.000 0.270 345 K C -2.627 173.478 176.600 -0.824 0.000 1.062 345 K CA -1.792 54.206 56.287 -0.481 0.000 0.916 345 K CB 0.876 33.236 32.500 -0.232 0.000 1.166 345 K HN 0.533 nan 8.250 nan 0.000 0.458 346 P HA -0.135 nan 4.420 nan 0.000 0.249 346 P C -0.019 177.158 177.300 -0.204 0.000 1.140 346 P CA 0.223 63.111 63.100 -0.354 0.000 0.803 346 P CB 0.181 31.850 31.700 -0.052 0.000 0.745 347 V N 3.889 123.756 119.914 -0.079 0.000 2.834 347 V HA 0.413 4.507 4.120 -0.043 0.000 0.301 347 V C 0.551 176.689 176.094 0.074 0.000 1.066 347 V CA -0.527 61.789 62.300 0.026 0.000 1.052 347 V CB 1.171 33.041 31.823 0.078 0.000 1.021 347 V HN 0.637 nan 8.190 nan 0.000 0.480 348 A N 5.458 128.304 122.820 0.044 0.000 2.488 348 A HA 0.480 4.774 4.320 -0.043 0.000 0.249 348 A C -0.050 177.571 177.584 0.062 0.000 1.083 348 A CA 0.098 52.161 52.037 0.043 0.000 0.768 348 A CB 0.136 19.151 19.000 0.026 0.000 1.017 348 A HN 1.410 nan 8.150 nan 0.000 0.496 349 V N 1.106 121.048 119.914 0.047 0.000 2.686 349 V HA 0.530 4.625 4.120 -0.043 0.000 0.295 349 V C -2.423 173.692 176.094 0.034 0.000 1.057 349 V CA -2.180 60.138 62.300 0.030 0.000 1.012 349 V CB 0.244 32.029 31.823 -0.063 0.000 1.006 349 V HN 0.732 nan 8.190 nan 0.000 0.477 350 P HA 0.250 nan 4.420 nan 0.000 0.265 350 P C -0.128 177.182 177.300 0.017 0.000 1.187 350 P CA 0.465 63.595 63.100 0.050 0.000 0.766 350 P CB 0.230 31.983 31.700 0.088 0.000 0.820 351 A N 3.242 126.074 122.820 0.020 0.000 2.371 351 A HA 0.307 4.601 4.320 -0.043 0.000 0.257 351 A C 0.574 178.169 177.584 0.019 0.000 1.089 351 A CA -0.396 51.652 52.037 0.018 0.000 0.794 351 A CB -0.008 19.002 19.000 0.017 0.000 1.029 351 A HN 0.614 nan 8.150 nan 0.000 0.488 352 R N 1.426 121.943 120.500 0.028 0.000 2.698 352 R HA 0.169 4.483 4.340 -0.043 0.000 0.266 352 R C -0.200 176.114 176.300 0.023 0.000 1.026 352 R CA 0.509 56.630 56.100 0.036 0.000 1.102 352 R CB -0.028 30.302 30.300 0.050 0.000 0.978 352 R HN 0.654 nan 8.270 nan 0.000 0.436 353 T N 7.198 121.763 114.554 0.018 0.000 2.908 353 T HA 0.090 4.415 4.350 -0.043 0.000 0.301 353 T C -2.086 172.615 174.700 0.003 0.000 1.019 353 T CA -0.513 61.591 62.100 0.008 0.000 1.152 353 T CB 0.413 69.281 68.868 0.000 0.000 0.966 353 T HN 0.571 nan 8.240 nan 0.000 0.540 354 P HA 0.256 nan 4.420 nan 0.000 0.267 354 P C -0.380 176.913 177.300 -0.012 0.000 1.200 354 P CA -0.402 62.699 63.100 0.002 0.000 0.772 354 P CB 0.306 32.011 31.700 0.008 0.000 0.855 355 A N 2.941 125.754 122.820 -0.012 0.000 2.492 355 A HA 0.034 4.329 4.320 -0.043 0.000 0.236 355 A C 0.517 178.083 177.584 -0.031 0.000 1.078 355 A CA -0.082 51.937 52.037 -0.031 0.000 0.773 355 A CB -0.393 18.600 19.000 -0.012 0.000 1.023 355 A HN 0.555 nan 8.150 nan 0.000 0.504 356 N N 0.527 119.181 118.700 -0.077 0.000 2.458 356 N HA 0.292 5.007 4.740 -0.043 0.000 0.258 356 N C 0.387 175.939 175.510 0.070 0.000 1.219 356 N CA 0.863 53.900 53.050 -0.023 0.000 0.902 356 N CB 0.719 39.116 38.487 -0.150 0.000 1.076 356 N HN 0.805 nan 8.380 nan 0.000 0.455 357 A N 1.592 124.471 122.820 0.099 0.000 2.483 357 A HA 0.424 4.719 4.320 -0.043 0.000 0.238 357 A C 0.516 178.184 177.584 0.140 0.000 1.070 357 A CA -0.427 51.669 52.037 0.097 0.000 0.770 357 A CB 0.007 19.055 19.000 0.079 0.000 1.008 357 A HN 0.746 nan 8.150 nan 0.000 0.497 358 A N 1.110 123.995 122.820 0.108 0.000 2.546 358 A HA 0.461 4.755 4.320 -0.043 0.000 0.243 358 A C 0.437 178.073 177.584 0.086 0.000 1.063 358 A CA 0.592 52.693 52.037 0.108 0.000 0.757 358 A CB -0.770 18.275 19.000 0.075 0.000 0.991 358 A HN 2.159 nan 8.150 nan 0.000 0.503 359 V N 0.302 120.262 119.914 0.077 0.000 3.102 359 V HA 0.779 4.873 4.120 -0.043 0.000 0.312 359 V C -2.808 173.278 176.094 -0.013 0.000 1.135 359 V CA -2.463 59.844 62.300 0.013 0.000 1.022 359 V CB 0.987 32.787 31.823 -0.038 0.000 1.056 359 V HN 0.711 nan 8.190 nan 0.000 0.436 360 P HA 0.307 nan 4.420 nan 0.000 0.267 360 P C 0.784 178.048 177.300 -0.059 0.000 1.200 360 P CA 0.403 63.482 63.100 -0.035 0.000 0.772 360 P CB 0.789 32.466 31.700 -0.038 0.000 0.855 361 A N 1.919 124.717 122.820 -0.037 0.000 2.125 361 A HA -0.129 4.165 4.320 -0.043 0.000 0.219 361 A C 1.785 179.327 177.584 -0.070 0.000 1.156 361 A CA 1.743 53.755 52.037 -0.042 0.000 0.671 361 A CB -1.088 17.904 19.000 -0.012 0.000 0.794 361 A HN 0.589 nan 8.150 nan 0.000 0.459 362 S N -1.221 114.437 115.700 -0.069 0.000 2.575 362 S HA 0.071 4.515 4.470 -0.043 0.000 0.215 362 S C 0.592 175.130 174.600 -0.104 0.000 0.966 362 S CA 0.224 58.382 58.200 -0.071 0.000 0.911 362 S CB -0.633 62.538 63.200 -0.048 0.000 0.780 362 S HN 0.306 nan 8.310 nan 0.000 0.514 363 T N 5.493 119.957 114.554 -0.150 0.000 2.831 363 T HA 0.184 4.509 4.350 -0.043 0.000 0.291 363 T C -2.541 172.021 174.700 -0.230 0.000 0.981 363 T CA -0.503 61.479 62.100 -0.196 0.000 1.174 363 T CB 0.236 68.938 68.868 -0.277 0.000 0.929 363 T HN 0.218 nan 8.240 nan 0.000 0.532 364 P HA 0.105 nan 4.420 nan 0.000 0.266 364 P C 0.036 177.209 177.300 -0.211 0.000 1.195 364 P CA -0.313 62.699 63.100 -0.147 0.000 0.768 364 P CB 0.418 32.065 31.700 -0.087 0.000 0.838 365 L N 3.703 124.812 121.223 -0.189 0.000 2.453 365 L HA 0.114 4.429 4.340 -0.043 0.000 0.272 365 L C 1.028 177.825 176.870 -0.122 0.000 1.182 365 L CA 0.610 55.323 54.840 -0.211 0.000 0.858 365 L CB 0.034 42.025 42.059 -0.113 0.000 1.120 365 L HN 0.289 nan 8.230 nan 0.000 0.474 366 K N 2.817 123.159 120.400 -0.097 0.000 2.385 366 K HA 0.260 4.554 4.320 -0.043 0.000 0.248 366 K C 0.205 176.801 176.600 -0.008 0.000 0.955 366 K CA -0.808 55.467 56.287 -0.020 0.000 0.816 366 K CB 2.196 34.702 32.500 0.010 0.000 1.250 366 K HN 0.521 nan 8.250 nan 0.000 0.434 367 Q N 0.751 120.557 119.800 0.011 0.000 2.084 367 Q HA -0.212 4.102 4.340 -0.043 0.000 0.202 367 Q C 1.448 177.489 176.000 0.068 0.000 0.978 367 Q CA 1.736 57.530 55.803 -0.016 0.000 0.844 367 Q CB 0.148 29.012 28.738 0.210 0.000 0.898 367 Q HN 0.529 nan 8.270 nan 0.000 0.426 368 E N 0.369 120.655 120.200 0.142 0.000 2.058 368 E HA -0.216 4.108 4.350 -0.043 0.000 0.194 368 E C 1.460 178.119 176.600 0.097 0.000 0.997 368 E CA 1.444 57.934 56.400 0.151 0.000 0.801 368 E CB -0.378 29.392 29.700 0.117 0.000 0.746 368 E HN 0.427 nan 8.360 nan 0.000 0.450 369 W N 0.461 121.695 121.300 -0.111 0.000 2.358 369 W HA -0.199 4.435 4.660 -0.043 0.000 0.303 369 W C 2.349 178.682 176.519 -0.309 0.000 1.208 369 W CA 2.353 59.596 57.345 -0.171 0.000 1.274 369 W CB -0.335 29.018 29.460 -0.178 0.000 1.138 369 W HN 0.162 nan 8.180 nan 0.000 0.515 370 M N -0.833 118.647 119.600 -0.200 0.000 2.086 370 M HA -0.185 4.269 4.480 -0.043 0.000 0.261 370 M C 1.824 177.659 176.300 -0.776 0.000 1.067 370 M CA 2.357 57.213 55.300 -0.739 0.000 1.116 370 M CB -0.672 31.377 32.600 -0.919 0.000 1.348 370 M HN 0.148 nan 8.290 nan 0.000 0.407 371 W N 0.213 121.319 121.300 -0.322 0.000 2.436 371 W HA -0.109 4.526 4.660 -0.042 0.000 0.284 371 W C 2.115 178.481 176.519 -0.254 0.000 1.225 371 W CA 0.683 57.864 57.345 -0.273 0.000 1.271 371 W CB -0.603 28.746 29.460 -0.186 0.000 1.114 371 W HN 0.347 nan 8.180 nan 0.000 0.559 372 N N 0.513 119.148 118.700 -0.108 0.000 2.142 372 N HA -0.207 4.507 4.740 -0.043 0.000 0.186 372 N C 1.691 177.021 175.510 -0.301 0.000 1.023 372 N CA 1.516 54.456 53.050 -0.183 0.000 0.852 372 N CB -0.313 38.048 38.487 -0.210 0.000 0.998 372 N HN 0.024 nan 8.380 nan 0.000 0.424 373 Q N -0.214 119.227 119.800 -0.597 0.000 2.172 373 Q HA 0.035 4.350 4.340 -0.043 0.000 0.200 373 Q C 1.784 177.701 176.000 -0.139 0.000 0.964 373 Q CA 0.594 56.047 55.803 -0.584 0.000 0.855 373 Q CB -0.380 27.587 28.738 -1.284 0.000 0.918 373 Q HN 0.383 nan 8.270 nan 0.000 0.444 374 L N -0.173 121.003 121.223 -0.078 0.000 2.129 374 L HA -0.095 4.220 4.340 -0.043 0.000 0.212 374 L C 1.925 178.941 176.870 0.243 0.000 1.087 374 L CA 2.365 57.334 54.840 0.215 0.000 0.757 374 L CB -1.141 40.995 42.059 0.128 0.000 0.896 374 L HN 0.314 nan 8.230 nan 0.000 0.434 375 G N -0.751 108.132 108.800 0.138 0.000 2.475 375 G HA2 -0.355 3.579 3.960 -0.043 0.000 0.220 375 G HA3 -0.355 3.579 3.960 -0.043 0.000 0.220 375 G C 1.408 176.380 174.900 0.121 0.000 1.125 375 G CA 0.986 46.164 45.100 0.130 0.000 0.755 375 G HN 0.506 nan 8.290 nan 0.000 0.565 376 N N -0.143 118.639 118.700 0.136 0.000 2.244 376 N HA -0.072 4.643 4.740 -0.043 0.000 0.183 376 N C 1.621 177.249 175.510 0.197 0.000 1.016 376 N CA 0.748 53.884 53.050 0.144 0.000 0.866 376 N CB -0.380 38.198 38.487 0.151 0.000 0.980 376 N HN 0.424 nan 8.380 nan 0.000 0.430 377 F N 1.498 121.509 119.950 0.102 0.000 2.270 377 F HA 0.230 4.731 4.527 -0.043 0.000 0.295 377 F C 0.590 176.409 175.800 0.032 0.000 1.087 377 F CA -0.054 57.995 58.000 0.081 0.000 1.365 377 F CB -0.212 38.854 39.000 0.109 0.000 1.056 377 F HN -0.184 nan 8.300 nan 0.000 0.506 378 L N 2.378 123.509 121.223 -0.154 0.000 2.461 378 L HA 0.138 4.452 4.340 -0.043 0.000 0.272 378 L C 0.018 176.733 176.870 -0.258 0.000 1.197 378 L CA 0.018 54.676 54.840 -0.302 0.000 0.836 378 L CB 0.411 42.417 42.059 -0.088 0.000 1.105 378 L HN 0.283 nan 8.230 nan 0.000 0.477 379 Q N 1.011 120.639 119.800 -0.286 0.000 2.484 379 Q HA 0.447 4.762 4.340 -0.043 0.000 0.285 379 Q C -1.219 174.693 176.000 -0.146 0.000 1.097 379 Q CA -1.057 54.636 55.803 -0.184 0.000 0.802 379 Q CB 1.834 30.457 28.738 -0.191 0.000 1.444 379 Q HN 0.467 nan 8.270 nan 0.000 0.429 380 E N -0.102 120.041 120.200 -0.096 0.000 2.442 380 E HA 0.207 4.531 4.350 -0.043 0.000 0.262 380 E C 0.442 176.995 176.600 -0.079 0.000 1.004 380 E CA 1.197 57.551 56.400 -0.076 0.000 0.928 380 E CB 0.264 29.934 29.700 -0.049 0.000 0.937 380 E HN 0.957 nan 8.360 nan 0.000 0.446 381 G N 2.859 111.617 108.800 -0.070 0.000 2.213 381 G HA2 -0.219 3.716 3.960 -0.043 0.000 0.236 381 G HA3 -0.219 3.716 3.960 -0.043 0.000 0.236 381 G C -0.051 174.807 174.900 -0.069 0.000 0.991 381 G CA -0.024 45.042 45.100 -0.057 0.000 0.629 381 G HN 0.567 nan 8.290 nan 0.000 0.517 382 D N 0.368 120.700 120.400 -0.114 0.000 2.423 382 D HA 0.438 5.052 4.640 -0.043 0.000 0.238 382 D C 0.568 176.811 176.300 -0.094 0.000 1.142 382 D CA 0.212 54.136 54.000 -0.127 0.000 0.884 382 D CB 1.622 42.297 40.800 -0.209 0.000 1.199 382 D HN 0.199 nan 8.370 nan 0.000 0.438 383 V N 2.473 122.364 119.914 -0.038 0.000 2.398 383 V HA 0.306 4.400 4.120 -0.043 0.000 0.286 383 V C 0.100 176.205 176.094 0.019 0.000 1.026 383 V CA -0.686 61.628 62.300 0.023 0.000 0.868 383 V CB 1.771 33.621 31.823 0.045 0.000 0.982 383 V HN 0.214 nan 8.190 nan 0.000 0.443 384 V N 6.833 126.741 119.914 -0.009 0.000 2.407 384 V HA 0.526 4.620 4.120 -0.043 0.000 0.291 384 V C -0.274 175.914 176.094 0.156 0.000 1.018 384 V CA -0.337 61.989 62.300 0.044 0.000 0.842 384 V CB 1.612 33.337 31.823 -0.163 0.000 0.996 384 V HN 0.680 nan 8.190 nan 0.000 0.426 385 I N 4.013 124.720 120.570 0.228 0.000 2.433 385 I HA 0.821 4.965 4.170 -0.043 0.000 0.292 385 I C 0.139 176.427 176.117 0.284 0.000 1.001 385 I CA -0.612 60.819 61.300 0.220 0.000 1.119 385 I CB 1.988 40.079 38.000 0.151 0.000 1.289 385 I HN 0.653 nan 8.210 nan 0.000 0.438 386 A N 4.665 127.629 122.820 0.239 0.000 2.343 386 A HA 0.635 4.929 4.320 -0.043 0.000 0.308 386 A C -0.695 177.002 177.584 0.187 0.000 1.092 386 A CA -0.547 51.632 52.037 0.236 0.000 0.751 386 A CB 1.495 20.566 19.000 0.119 0.000 1.203 386 A HN 0.658 nan 8.150 nan 0.000 0.452 387 E N 1.295 121.618 120.200 0.205 0.000 2.366 387 E HA 0.412 4.736 4.350 -0.043 0.000 0.266 387 E C 0.128 176.796 176.600 0.113 0.000 1.051 387 E CA 0.186 56.684 56.400 0.163 0.000 0.884 387 E CB 0.592 30.387 29.700 0.159 0.000 1.006 387 E HN 0.575 nan 8.360 nan 0.000 0.417 388 T N 2.840 117.441 114.554 0.079 0.000 2.891 388 T HA 0.431 4.755 4.350 -0.043 0.000 0.296 388 T C 0.304 175.050 174.700 0.077 0.000 1.025 388 T CA 1.062 63.184 62.100 0.038 0.000 1.149 388 T CB -0.194 68.675 68.868 0.001 0.000 1.007 388 T HN 0.752 nan 8.240 nan 0.000 0.528 389 G N 2.539 111.414 108.800 0.125 0.000 2.316 389 G HA2 -0.025 3.909 3.960 -0.043 0.000 0.349 389 G HA3 -0.025 3.909 3.960 -0.043 0.000 0.349 389 G C 0.909 175.961 174.900 0.254 0.000 1.274 389 G CA 0.355 45.557 45.100 0.170 0.000 1.018 389 G HN 0.866 nan 8.290 nan 0.000 0.486 390 T N -1.662 113.030 114.554 0.230 0.000 2.737 390 T HA -0.112 4.212 4.350 -0.043 0.000 0.269 390 T C 2.405 177.236 174.700 0.217 0.000 1.040 390 T CA 2.863 65.112 62.100 0.248 0.000 1.142 390 T CB -0.535 68.484 68.868 0.252 0.000 0.861 390 T HN 0.922 nan 8.240 nan 0.000 0.456 391 S N 1.940 117.789 115.700 0.248 0.000 2.359 391 S HA 0.021 4.465 4.470 -0.043 0.000 0.224 391 S C 2.620 177.097 174.600 -0.205 0.000 1.035 391 S CA 1.161 59.451 58.200 0.149 0.000 1.018 391 S CB -0.890 62.533 63.200 0.371 0.000 0.876 391 S HN 0.816 nan 8.310 nan 0.000 0.448 392 A N 0.232 123.006 122.820 -0.076 0.000 1.969 392 A HA 0.039 4.334 4.320 -0.043 0.000 0.218 392 A C 1.806 179.170 177.584 -0.367 0.000 1.169 392 A CA 1.076 52.989 52.037 -0.207 0.000 0.635 392 A CB -0.689 18.197 19.000 -0.191 0.000 0.810 392 A HN 0.476 nan 8.150 nan 0.000 0.445 393 F N 0.038 119.838 119.950 -0.251 0.000 2.187 393 F HA 0.065 4.566 4.527 -0.043 0.000 0.295 393 F C 2.617 178.124 175.800 -0.489 0.000 1.091 393 F CA 1.141 58.976 58.000 -0.275 0.000 1.308 393 F CB -0.649 38.249 39.000 -0.171 0.000 1.030 393 F HN 0.285 nan 8.300 nan 0.000 0.487 394 G N -0.304 108.089 108.800 -0.679 0.000 2.408 394 G HA2 -0.237 3.697 3.960 -0.043 0.000 0.217 394 G HA3 -0.237 3.697 3.960 -0.043 0.000 0.217 394 G C 1.598 175.590 174.900 -1.514 0.000 1.150 394 G CA 0.632 44.745 45.100 -1.645 0.000 0.776 394 G HN 0.285 nan 8.290 nan 0.000 0.542 395 I N 1.407 121.245 120.570 -1.220 0.000 2.614 395 I HA -0.053 4.091 4.170 -0.043 0.000 0.258 395 I C 1.854 177.740 176.117 -0.385 0.000 1.189 395 I CA 0.530 61.447 61.300 -0.638 0.000 1.462 395 I CB -0.187 37.614 38.000 -0.332 0.000 1.092 395 I HN 0.002 nan 8.210 nan 0.000 0.442 396 N N 0.522 118.999 118.700 -0.372 0.000 2.443 396 N HA -0.163 4.551 4.740 -0.043 0.000 0.184 396 N C 1.351 176.738 175.510 -0.206 0.000 1.037 396 N CA 0.951 53.844 53.050 -0.261 0.000 0.896 396 N CB -0.158 38.204 38.487 -0.209 0.000 0.959 396 N HN 0.612 nan 8.380 nan 0.000 0.442 397 Q N -0.640 119.037 119.800 -0.204 0.000 2.319 397 Q HA 0.124 4.438 4.340 -0.043 0.000 0.202 397 Q C -0.129 175.838 176.000 -0.054 0.000 0.896 397 Q CA 0.298 56.043 55.803 -0.096 0.000 0.942 397 Q CB 0.464 29.174 28.738 -0.046 0.000 1.083 397 Q HN 0.071 nan 8.270 nan 0.000 0.510 398 T N 1.675 116.177 114.554 -0.086 0.000 2.845 398 T HA 0.215 4.539 4.350 -0.043 0.000 0.288 398 T C -0.048 174.586 174.700 -0.110 0.000 0.980 398 T CA -0.148 61.944 62.100 -0.013 0.000 1.071 398 T CB 1.478 70.416 68.868 0.116 0.000 0.941 398 T HN -0.067 nan 8.240 nan 0.000 0.487 399 T N 4.670 119.217 114.554 -0.012 0.000 2.780 399 T HA 0.415 4.739 4.350 -0.043 0.000 0.294 399 T C -0.233 174.549 174.700 0.136 0.000 0.949 399 T CA -0.389 61.702 62.100 -0.014 0.000 1.074 399 T CB -0.046 68.839 68.868 0.028 0.000 0.910 399 T HN 0.237 nan 8.240 nan 0.000 0.501 400 F N 4.153 124.067 119.950 -0.060 0.000 2.375 400 F HA 0.427 4.928 4.527 -0.043 0.000 0.333 400 F C -1.782 173.967 175.800 -0.085 0.000 1.104 400 F CA -3.185 54.772 58.000 -0.071 0.000 1.149 400 F CB 0.088 39.029 39.000 -0.099 0.000 1.190 400 F HN 0.319 nan 8.300 nan 0.000 0.533 401 P HA 0.060 nan 4.420 nan 0.000 0.273 401 P C -0.395 176.911 177.300 0.011 0.000 1.250 401 P CA -0.394 62.720 63.100 0.024 0.000 0.793 401 P CB 0.461 32.146 31.700 -0.025 0.000 1.011 402 N N 1.343 120.035 118.700 -0.013 0.000 2.374 402 N HA -0.058 4.657 4.740 -0.043 0.000 0.241 402 N C 0.610 176.105 175.510 -0.024 0.000 1.262 402 N CA 0.546 53.584 53.050 -0.020 0.000 0.880 402 N CB -0.897 37.580 38.487 -0.018 0.000 1.105 402 N HN 0.503 nan 8.380 nan 0.000 0.438 403 N N -0.734 117.956 118.700 -0.017 0.000 2.738 403 N HA -0.190 4.524 4.740 -0.043 0.000 0.249 403 N C -1.427 174.066 175.510 -0.029 0.000 1.047 403 N CA 0.719 53.762 53.050 -0.012 0.000 0.707 403 N CB -1.092 37.386 38.487 -0.014 0.000 0.937 403 N HN 0.476 nan 8.380 nan 0.000 0.545 404 T N 1.547 116.073 114.554 -0.046 0.000 2.794 404 T HA 0.277 4.602 4.350 -0.043 0.000 0.280 404 T C -0.608 174.042 174.700 -0.083 0.000 0.987 404 T CA -0.339 61.670 62.100 -0.152 0.000 0.993 404 T CB 0.935 69.561 68.868 -0.404 0.000 0.939 404 T HN 0.219 nan 8.240 nan 0.000 0.449 405 Y N 2.207 122.412 120.300 -0.159 0.000 2.353 405 Y HA 0.543 5.067 4.550 -0.043 0.000 0.340 405 Y C 0.542 176.398 175.900 -0.074 0.000 0.972 405 Y CA -0.499 57.558 58.100 -0.072 0.000 1.157 405 Y CB 0.666 39.096 38.460 -0.050 0.000 1.157 405 Y HN 0.782 nan 8.280 nan 0.000 0.495 406 G N 6.659 115.301 108.800 -0.263 0.000 2.348 406 G HA2 0.546 4.481 3.960 -0.043 0.000 0.312 406 G HA3 0.546 4.481 3.960 -0.043 0.000 0.312 406 G C -1.165 173.733 174.900 -0.004 0.000 1.126 406 G CA -0.657 44.441 45.100 -0.004 0.000 0.865 406 G HN 0.693 nan 8.290 nan 0.000 0.474 407 I N 1.411 122.083 120.570 0.169 0.000 2.410 407 I HA 0.399 4.543 4.170 -0.043 0.000 0.286 407 I C -0.191 176.047 176.117 0.202 0.000 1.009 407 I CA -0.497 60.940 61.300 0.228 0.000 1.111 407 I CB 2.144 40.331 38.000 0.313 0.000 1.262 407 I HN 0.440 nan 8.210 nan 0.000 0.443 408 S N 5.548 121.336 115.700 0.147 0.000 2.720 408 S HA 0.193 4.638 4.470 -0.043 0.000 0.278 408 S C -0.567 174.059 174.600 0.043 0.000 1.172 408 S CA -0.538 57.718 58.200 0.094 0.000 1.019 408 S CB 1.380 64.581 63.200 0.003 0.000 1.049 408 S HN 0.678 nan 8.310 nan 0.000 0.483 409 Q N 4.932 124.747 119.800 0.025 0.000 3.181 409 Q HA 0.220 4.534 4.340 -0.043 0.000 0.293 409 Q C 0.673 176.628 176.000 -0.075 0.000 1.406 409 Q CA -0.206 55.529 55.803 -0.113 0.000 1.026 409 Q CB -0.138 28.347 28.738 -0.421 0.000 1.630 409 Q HN 0.743 nan 8.270 nan 0.000 0.553 410 V N 1.978 121.854 119.914 -0.064 0.000 2.515 410 V HA -0.245 3.849 4.120 -0.043 0.000 0.250 410 V C 1.806 177.870 176.094 -0.051 0.000 1.058 410 V CA 1.294 63.539 62.300 -0.093 0.000 1.064 410 V CB -0.367 31.384 31.823 -0.120 0.000 0.675 410 V HN 0.582 nan 8.190 nan 0.000 0.461 411 L N -0.662 120.564 121.223 0.006 0.000 2.034 411 L HA -0.023 4.291 4.340 -0.043 0.000 0.203 411 L C 2.125 179.070 176.870 0.124 0.000 1.074 411 L CA 1.942 56.820 54.840 0.062 0.000 0.748 411 L CB -0.810 41.308 42.059 0.099 0.000 0.905 411 L HN 0.457 nan 8.230 nan 0.000 0.439 412 W N 0.986 122.238 121.300 -0.081 0.000 2.409 412 W HA 0.025 4.658 4.660 -0.044 0.000 0.299 412 W C 1.144 177.616 176.519 -0.079 0.000 1.203 412 W CA 1.187 58.487 57.345 -0.075 0.000 1.298 412 W CB -0.098 29.302 29.460 -0.100 0.000 1.127 412 W HN 0.442 nan 8.180 nan 0.000 0.528 413 G N 1.911 110.659 108.800 -0.086 0.000 2.350 413 G HA2 -0.287 3.648 3.960 -0.043 0.000 0.298 413 G HA3 -0.287 3.648 3.960 -0.043 0.000 0.298 413 G C -0.189 174.579 174.900 -0.220 0.000 1.037 413 G CA 0.590 45.596 45.100 -0.157 0.000 1.074 413 G HN 0.292 nan 8.290 nan 0.000 0.511 414 S N 0.013 115.618 115.700 -0.158 0.000 2.404 414 S HA 0.577 5.022 4.470 -0.043 0.000 0.309 414 S C 1.052 175.650 174.600 -0.003 0.000 1.076 414 S CA -0.479 57.670 58.200 -0.084 0.000 1.095 414 S CB -0.139 63.144 63.200 0.137 0.000 0.972 414 S HN 1.207 nan 8.310 nan 0.000 0.484 415 I N 2.939 123.495 120.570 -0.023 0.000 2.815 415 I HA 0.529 4.673 4.170 -0.043 0.000 0.291 415 I C 1.325 177.468 176.117 0.043 0.000 1.209 415 I CA 0.717 62.020 61.300 0.005 0.000 1.431 415 I CB -0.004 37.972 38.000 -0.040 0.000 1.351 415 I HN 0.795 nan 8.210 nan 0.000 0.585 416 G N 4.491 113.311 108.800 0.034 0.000 2.279 416 G HA2 -0.367 3.568 3.960 -0.043 0.000 0.223 416 G HA3 -0.367 3.568 3.960 -0.043 0.000 0.223 416 G C 0.562 175.357 174.900 -0.175 0.000 1.015 416 G CA 0.460 45.587 45.100 0.044 0.000 0.621 416 G HN 0.916 nan 8.290 nan 0.000 0.506 417 F N 3.184 122.725 119.950 -0.681 0.000 2.106 417 F HA -0.231 4.271 4.527 -0.042 0.000 0.299 417 F C 2.786 178.303 175.800 -0.472 0.000 1.082 417 F CA 3.605 60.903 58.000 -1.171 0.000 1.244 417 F CB -0.694 37.928 39.000 -0.629 0.000 0.997 417 F HN 0.505 nan 8.300 nan 0.000 0.486 418 T N -3.545 110.788 114.554 -0.368 0.000 2.995 418 T HA -0.107 4.217 4.350 -0.043 0.000 0.269 418 T C 1.796 176.349 174.700 -0.244 0.000 1.091 418 T CA 1.455 63.327 62.100 -0.380 0.000 1.128 418 T CB -1.065 67.766 68.868 -0.062 0.000 0.891 418 T HN 0.358 nan 8.240 nan 0.000 0.492 419 T N 1.494 115.973 114.554 -0.125 0.000 2.777 419 T HA 0.077 4.402 4.350 -0.043 0.000 0.266 419 T C 2.292 176.962 174.700 -0.050 0.000 1.040 419 T CA 1.262 63.347 62.100 -0.026 0.000 1.141 419 T CB -0.980 67.925 68.868 0.062 0.000 0.868 419 T HN 0.592 nan 8.240 nan 0.000 0.444 420 G N 1.168 109.934 108.800 -0.056 0.000 2.404 420 G HA2 0.026 3.960 3.960 -0.043 0.000 0.215 420 G HA3 0.026 3.960 3.960 -0.043 0.000 0.215 420 G C 1.885 176.683 174.900 -0.171 0.000 1.174 420 G CA 0.773 45.858 45.100 -0.024 0.000 0.780 420 G HN 0.564 nan 8.290 nan 0.000 0.537 421 A N 0.388 122.953 122.820 -0.426 0.000 1.948 421 A HA -0.071 4.223 4.320 -0.043 0.000 0.220 421 A C 2.510 179.967 177.584 -0.212 0.000 1.177 421 A CA 2.551 54.307 52.037 -0.469 0.000 0.636 421 A CB -1.016 17.386 19.000 -0.996 0.000 0.815 421 A HN 0.308 nan 8.150 nan 0.000 0.449 422 T N -0.039 114.416 114.554 -0.165 0.000 2.746 422 T HA -0.145 4.179 4.350 -0.043 0.000 0.267 422 T C 1.838 176.516 174.700 -0.037 0.000 1.039 422 T CA 1.502 63.566 62.100 -0.059 0.000 1.142 422 T CB -0.399 68.456 68.868 -0.022 0.000 0.866 422 T HN 0.380 nan 8.240 nan 0.000 0.444 423 L N 1.297 122.498 121.223 -0.037 0.000 1.989 423 L HA 0.020 4.335 4.340 -0.043 0.000 0.211 423 L C 2.600 179.535 176.870 0.109 0.000 1.071 423 L CA 2.243 57.073 54.840 -0.016 0.000 0.749 423 L CB -1.127 40.962 42.059 0.050 0.000 0.890 423 L HN 0.288 nan 8.230 nan 0.000 0.431 424 G N -1.302 107.561 108.800 0.106 0.000 2.418 424 G HA2 -0.242 3.692 3.960 -0.043 0.000 0.217 424 G HA3 -0.242 3.692 3.960 -0.043 0.000 0.217 424 G C 1.596 176.672 174.900 0.294 0.000 1.158 424 G CA 0.790 46.039 45.100 0.249 0.000 0.771 424 G HN 0.662 nan 8.290 nan 0.000 0.545 425 A N 1.128 124.002 122.820 0.090 0.000 1.933 425 A HA 0.268 4.563 4.320 -0.043 0.000 0.218 425 A C 2.793 180.402 177.584 0.040 0.000 1.175 425 A CA 2.226 54.280 52.037 0.028 0.000 0.628 425 A CB -0.708 18.288 19.000 -0.007 0.000 0.814 425 A HN 0.759 nan 8.150 nan 0.000 0.444 426 A N -1.236 121.603 122.820 0.032 0.000 1.930 426 A HA 0.065 4.359 4.320 -0.043 0.000 0.217 426 A C 1.917 179.513 177.584 0.021 0.000 1.175 426 A CA 1.405 53.430 52.037 -0.019 0.000 0.627 426 A CB -0.676 18.264 19.000 -0.101 0.000 0.815 426 A HN 0.423 nan 8.150 nan 0.000 0.443 427 F N 0.289 120.306 119.950 0.112 0.000 2.075 427 F HA -0.101 4.400 4.527 -0.043 0.000 0.297 427 F C 2.843 178.712 175.800 0.115 0.000 1.113 427 F CA 1.016 59.089 58.000 0.122 0.000 1.218 427 F CB -0.811 38.320 39.000 0.218 0.000 0.984 427 F HN 0.254 nan 8.300 nan 0.000 0.472 428 A N -0.095 122.889 122.820 0.273 0.000 1.883 428 A HA -0.113 4.181 4.320 -0.043 0.000 0.217 428 A C 2.405 179.943 177.584 -0.075 0.000 1.186 428 A CA 2.017 53.968 52.037 -0.144 0.000 0.624 428 A CB -1.390 17.317 19.000 -0.489 0.000 0.822 428 A HN 0.323 nan 8.150 nan 0.000 0.444 429 A N -0.503 122.295 122.820 -0.037 0.000 1.930 429 A HA -0.163 4.131 4.320 -0.043 0.000 0.217 429 A C 2.024 179.606 177.584 -0.004 0.000 1.175 429 A CA 1.747 53.760 52.037 -0.039 0.000 0.627 429 A CB -0.546 18.436 19.000 -0.031 0.000 0.815 429 A HN 0.698 nan 8.150 nan 0.000 0.443 430 E N 0.136 120.356 120.200 0.033 0.000 2.058 430 E HA -0.268 4.056 4.350 -0.043 0.000 0.194 430 E C 1.820 178.447 176.600 0.045 0.000 0.997 430 E CA 1.665 58.094 56.400 0.048 0.000 0.801 430 E CB -0.188 29.563 29.700 0.085 0.000 0.746 430 E HN 0.756 nan 8.360 nan 0.000 0.450 431 E N -0.026 120.205 120.200 0.053 0.000 2.153 431 E HA -0.152 4.172 4.350 -0.043 0.000 0.194 431 E C 2.126 178.728 176.600 0.003 0.000 0.988 431 E CA 1.052 57.473 56.400 0.036 0.000 0.811 431 E CB 0.019 29.747 29.700 0.047 0.000 0.746 431 E HN 0.412 nan 8.360 nan 0.000 0.466 432 I N 0.170 120.728 120.570 -0.020 0.000 2.339 432 I HA -0.062 4.083 4.170 -0.043 0.000 0.245 432 I C 0.503 176.609 176.117 -0.018 0.000 1.096 432 I CA 0.556 61.837 61.300 -0.033 0.000 1.408 432 I CB 0.509 38.472 38.000 -0.061 0.000 1.092 432 I HN -0.026 nan 8.210 nan 0.000 0.423 433 D N -0.678 119.714 120.400 -0.012 0.000 2.369 433 D HA 0.129 4.743 4.640 -0.043 0.000 0.212 433 D C -2.283 174.017 176.300 -0.000 0.000 1.326 433 D CA -1.428 52.568 54.000 -0.007 0.000 0.933 433 D CB 1.451 42.243 40.800 -0.014 0.000 1.516 433 D HN -0.223 nan 8.370 nan 0.000 0.557 434 P HA -0.071 nan 4.420 nan 0.000 0.223 434 P C 0.747 178.053 177.300 0.011 0.000 1.144 434 P CA 0.935 64.043 63.100 0.015 0.000 0.783 434 P CB 0.295 32.007 31.700 0.019 0.000 0.771 435 K N -0.544 119.858 120.400 0.004 0.000 2.418 435 K HA 0.021 4.315 4.320 -0.043 0.000 0.195 435 K C 0.596 177.194 176.600 -0.004 0.000 1.035 435 K CA 0.339 56.627 56.287 0.001 0.000 1.003 435 K CB -0.048 32.449 32.500 -0.005 0.000 0.793 435 K HN 0.238 nan 8.250 nan 0.000 0.494 436 K N 1.873 122.269 120.400 -0.007 0.000 2.412 436 K HA 0.093 4.388 4.320 -0.043 0.000 0.281 436 K C -0.113 176.490 176.600 0.006 0.000 1.027 436 K CA 0.206 56.485 56.287 -0.014 0.000 0.989 436 K CB 0.696 33.182 32.500 -0.022 0.000 0.935 436 K HN 0.030 nan 8.250 nan 0.000 0.475 437 R N 1.356 121.857 120.500 0.001 0.000 2.540 437 R HA 0.414 4.728 4.340 -0.043 0.000 0.287 437 R C -0.693 175.645 176.300 0.064 0.000 0.980 437 R CA -0.891 55.246 56.100 0.062 0.000 0.966 437 R CB 1.345 31.657 30.300 0.020 0.000 1.106 437 R HN 0.232 nan 8.270 nan 0.000 0.480 438 V N 4.283 124.282 119.914 0.142 0.000 2.409 438 V HA 0.428 4.522 4.120 -0.043 0.000 0.291 438 V C -0.275 175.964 176.094 0.242 0.000 1.020 438 V CA -0.603 61.776 62.300 0.132 0.000 0.848 438 V CB 1.578 33.449 31.823 0.081 0.000 0.990 438 V HN 0.595 nan 8.190 nan 0.000 0.430 439 I N 5.857 126.560 120.570 0.223 0.000 2.418 439 I HA 0.471 4.615 4.170 -0.043 0.000 0.287 439 I C -0.905 175.401 176.117 0.314 0.000 1.008 439 I CA -0.601 60.898 61.300 0.333 0.000 1.104 439 I CB 1.896 40.089 38.000 0.321 0.000 1.264 439 I HN 0.430 nan 8.210 nan 0.000 0.438 440 L N 7.310 128.710 121.223 0.295 0.000 2.322 440 L HA 0.610 4.925 4.340 -0.043 0.000 0.281 440 L C -1.632 175.327 176.870 0.148 0.000 1.014 440 L CA 0.028 55.012 54.840 0.241 0.000 0.815 440 L CB 1.099 43.251 42.059 0.155 0.000 1.247 440 L HN 0.274 nan 8.230 nan 0.000 0.421 441 F N 6.490 126.627 119.950 0.311 0.000 2.375 441 F HA 0.560 5.061 4.527 -0.043 0.000 0.361 441 F C -0.052 175.914 175.800 0.276 0.000 1.117 441 F CA -0.278 57.931 58.000 0.348 0.000 1.037 441 F CB 1.385 40.654 39.000 0.449 0.000 1.192 441 F HN 0.368 nan 8.300 nan 0.000 0.452 442 I N 2.165 122.917 120.570 0.305 0.000 2.608 442 I HA 0.695 4.839 4.170 -0.043 0.000 0.295 442 I C 0.177 176.409 176.117 0.191 0.000 1.049 442 I CA -0.572 60.859 61.300 0.218 0.000 1.063 442 I CB 1.598 39.680 38.000 0.137 0.000 1.248 442 I HN 0.590 nan 8.210 nan 0.000 0.424 443 G N 3.827 112.732 108.800 0.174 0.000 2.527 443 G HA2 0.086 4.020 3.960 -0.043 0.000 0.248 443 G HA3 0.086 4.020 3.960 -0.043 0.000 0.248 443 G C 0.671 175.615 174.900 0.073 0.000 1.231 443 G CA 0.107 45.293 45.100 0.143 0.000 0.838 443 G HN 0.822 nan 8.290 nan 0.000 0.570 444 D N 1.003 121.424 120.400 0.035 0.000 2.133 444 D HA -0.153 4.462 4.640 -0.043 0.000 0.195 444 D C 2.166 178.470 176.300 0.008 0.000 0.997 444 D CA 1.674 55.669 54.000 -0.009 0.000 0.840 444 D CB -0.958 39.870 40.800 0.047 0.000 0.947 444 D HN 0.472 nan 8.370 nan 0.000 0.452 445 G N 0.150 109.012 108.800 0.104 0.000 2.433 445 G HA2 -0.251 3.683 3.960 -0.043 0.000 0.216 445 G HA3 -0.251 3.683 3.960 -0.043 0.000 0.216 445 G C 1.884 176.882 174.900 0.163 0.000 1.186 445 G CA 1.300 46.553 45.100 0.256 0.000 0.779 445 G HN 0.381 nan 8.290 nan 0.000 0.543 446 S N 0.369 116.137 115.700 0.113 0.000 2.382 446 S HA -0.106 4.338 4.470 -0.043 0.000 0.228 446 S C 2.146 176.797 174.600 0.084 0.000 1.027 446 S CA 1.079 59.325 58.200 0.078 0.000 0.991 446 S CB -0.267 62.977 63.200 0.074 0.000 0.823 446 S HN 0.255 nan 8.310 nan 0.000 0.469 447 L N 2.066 123.333 121.223 0.073 0.000 2.131 447 L HA -0.112 4.202 4.340 -0.043 0.000 0.210 447 L C 2.130 179.083 176.870 0.137 0.000 1.092 447 L CA 1.662 56.568 54.840 0.110 0.000 0.759 447 L CB -0.657 41.463 42.059 0.102 0.000 0.903 447 L HN 0.284 nan 8.230 nan 0.000 0.435 448 Q N -1.078 118.713 119.800 -0.014 0.000 2.170 448 Q HA -0.188 4.126 4.340 -0.043 0.000 0.203 448 Q C 2.078 178.205 176.000 0.212 0.000 0.976 448 Q CA 1.379 57.149 55.803 -0.055 0.000 0.858 448 Q CB -0.205 28.324 28.738 -0.349 0.000 0.907 448 Q HN 0.428 nan 8.270 nan 0.000 0.433 449 L N -0.130 121.195 121.223 0.170 0.000 2.291 449 L HA -0.079 4.235 4.340 -0.043 0.000 0.214 449 L C 1.807 178.813 176.870 0.227 0.000 1.120 449 L CA 1.645 56.603 54.840 0.196 0.000 0.799 449 L CB -0.078 42.087 42.059 0.175 0.000 0.925 449 L HN 0.290 nan 8.230 nan 0.000 0.446 450 T N -6.852 107.842 114.554 0.233 0.000 3.399 450 T HA 0.119 4.443 4.350 -0.043 0.000 0.305 450 T C 1.211 176.038 174.700 0.211 0.000 0.983 450 T CA 0.224 62.459 62.100 0.224 0.000 0.967 450 T CB -0.357 68.661 68.868 0.250 0.000 1.186 450 T HN -0.132 nan 8.240 nan 0.000 0.504 451 V N 2.608 122.695 119.914 0.288 0.000 2.469 451 V HA -0.232 3.862 4.120 -0.043 0.000 0.251 451 V C 2.770 179.018 176.094 0.258 0.000 1.064 451 V CA 2.611 65.127 62.300 0.359 0.000 1.066 451 V CB -0.363 31.817 31.823 0.594 0.000 0.667 451 V HN 0.751 nan 8.190 nan 0.000 0.461 452 Q N -0.569 119.290 119.800 0.098 0.000 2.364 452 Q HA -0.246 4.068 4.340 -0.043 0.000 0.209 452 Q C 1.740 177.587 176.000 -0.254 0.000 0.977 452 Q CA 1.846 57.496 55.803 -0.256 0.000 0.885 452 Q CB -0.496 28.119 28.738 -0.204 0.000 0.941 452 Q HN 0.628 nan 8.270 nan 0.000 0.464 453 E N 1.135 121.308 120.200 -0.046 0.000 2.418 453 E HA 0.047 4.371 4.350 -0.043 0.000 0.197 453 E C 1.758 178.347 176.600 -0.018 0.000 1.026 453 E CA 0.287 56.675 56.400 -0.021 0.000 0.862 453 E CB -0.322 29.403 29.700 0.041 0.000 0.799 453 E HN 0.494 nan 8.360 nan 0.000 0.518 454 I N -0.272 120.306 120.570 0.013 0.000 2.335 454 I HA -0.318 3.826 4.170 -0.043 0.000 0.251 454 I C 2.359 178.482 176.117 0.011 0.000 1.129 454 I CA 1.194 62.540 61.300 0.075 0.000 1.402 454 I CB -0.394 37.762 38.000 0.260 0.000 1.069 454 I HN 0.122 nan 8.210 nan 0.000 0.424 455 S N 0.379 115.950 115.700 -0.215 0.000 2.374 455 S HA -0.222 4.222 4.470 -0.043 0.000 0.227 455 S C 2.036 176.603 174.600 -0.054 0.000 1.037 455 S CA 2.417 60.484 58.200 -0.222 0.000 1.024 455 S CB -0.352 62.563 63.200 -0.475 0.000 0.861 455 S HN 0.480 nan 8.310 nan 0.000 0.456 456 T N 2.096 116.641 114.554 -0.015 0.000 2.951 456 T HA 0.089 4.413 4.350 -0.043 0.000 0.268 456 T C 1.805 176.585 174.700 0.133 0.000 1.073 456 T CA 1.277 63.443 62.100 0.110 0.000 1.134 456 T CB -0.250 68.706 68.868 0.147 0.000 0.884 456 T HN 0.424 nan 8.240 nan 0.000 0.479 457 M N 0.483 120.104 119.600 0.036 0.000 2.117 457 M HA 0.015 4.470 4.480 -0.043 0.000 0.262 457 M C 2.128 178.440 176.300 0.019 0.000 1.065 457 M CA 1.683 56.971 55.300 -0.019 0.000 1.114 457 M CB -0.618 31.964 32.600 -0.029 0.000 1.361 457 M HN 0.197 nan 8.290 nan 0.000 0.408 458 I N -0.456 120.130 120.570 0.026 0.000 2.252 458 I HA -0.252 3.892 4.170 -0.043 0.000 0.245 458 I C 2.641 178.762 176.117 0.006 0.000 1.102 458 I CA 1.083 62.393 61.300 0.018 0.000 1.385 458 I CB -0.381 37.633 38.000 0.023 0.000 1.064 458 I HN 0.228 nan 8.210 nan 0.000 0.414 459 R N 0.533 121.034 120.500 0.003 0.000 2.117 459 R HA -0.207 4.108 4.340 -0.043 0.000 0.243 459 R C 1.450 177.618 176.300 -0.220 0.000 1.143 459 R CA 1.849 57.888 56.100 -0.102 0.000 0.968 459 R CB -0.366 29.890 30.300 -0.074 0.000 0.863 459 R HN 0.381 nan 8.270 nan 0.000 0.444 460 W N -0.460 120.844 121.300 0.007 0.000 3.316 460 W HA 0.352 4.986 4.660 -0.042 0.000 0.327 460 W C 0.915 177.420 176.519 -0.023 0.000 1.232 460 W CA 0.333 57.693 57.345 0.025 0.000 1.805 460 W CB 0.476 29.982 29.460 0.076 0.000 1.090 460 W HN 0.352 nan 8.180 nan 0.000 0.654 461 G N 1.348 110.206 108.800 0.095 0.000 2.225 461 G HA2 -0.332 3.602 3.960 -0.043 0.000 0.267 461 G HA3 -0.332 3.602 3.960 -0.043 0.000 0.267 461 G C 0.203 175.124 174.900 0.035 0.000 1.024 461 G CA -0.016 45.115 45.100 0.053 0.000 0.784 461 G HN 0.207 nan 8.290 nan 0.000 0.507 462 L N -1.215 120.009 121.223 0.003 0.000 2.452 462 L HA 0.398 4.712 4.340 -0.043 0.000 0.267 462 L C 1.131 177.964 176.870 -0.061 0.000 1.188 462 L CA 0.114 54.915 54.840 -0.065 0.000 0.821 462 L CB 0.684 42.630 42.059 -0.189 0.000 1.102 462 L HN 0.113 nan 8.230 nan 0.000 0.470 463 K N 1.600 121.958 120.400 -0.071 0.000 3.045 463 K HA 0.268 4.562 4.320 -0.043 0.000 0.211 463 K C -2.423 174.089 176.600 -0.145 0.000 1.141 463 K CA -1.260 54.961 56.287 -0.110 0.000 1.036 463 K CB 0.297 32.735 32.500 -0.102 0.000 0.851 463 K HN 0.354 nan 8.250 nan 0.000 0.462 464 P HA -0.044 nan 4.420 nan 0.000 0.272 464 P C -0.819 176.422 177.300 -0.099 0.000 1.240 464 P CA -0.052 63.044 63.100 -0.007 0.000 0.791 464 P CB 0.506 32.218 31.700 0.019 0.000 0.978 465 Y N 0.497 120.807 120.300 0.017 0.000 2.385 465 Y HA 0.325 4.849 4.550 -0.043 0.000 0.341 465 Y C 0.494 176.390 175.900 -0.007 0.000 0.965 465 Y CA -0.287 57.802 58.100 -0.019 0.000 1.180 465 Y CB 0.561 39.114 38.460 0.156 0.000 1.139 465 Y HN 0.033 nan 8.280 nan 0.000 0.502 466 L N 5.537 126.747 121.223 -0.022 0.000 2.297 466 L HA 0.396 4.711 4.340 -0.043 0.000 0.277 466 L C -0.977 175.808 176.870 -0.142 0.000 1.040 466 L CA -0.354 54.477 54.840 -0.015 0.000 0.867 466 L CB 0.059 42.113 42.059 -0.008 0.000 1.244 466 L HN 0.490 nan 8.230 nan 0.000 0.433 467 F N 2.510 122.331 119.950 -0.215 0.000 2.421 467 F HA 0.323 4.824 4.527 -0.043 0.000 0.358 467 F C 0.358 176.062 175.800 -0.160 0.000 1.115 467 F CA -0.524 57.292 58.000 -0.308 0.000 1.160 467 F CB 1.326 39.777 39.000 -0.915 0.000 1.123 467 F HN 0.068 nan 8.300 nan 0.000 0.508 468 V N 5.714 125.663 119.914 0.058 0.000 2.384 468 V HA 0.249 4.343 4.120 -0.043 0.000 0.287 468 V C 0.051 176.180 176.094 0.057 0.000 1.020 468 V CA -0.815 61.487 62.300 0.003 0.000 0.850 468 V CB 1.558 33.269 31.823 -0.186 0.000 0.987 468 V HN 0.524 nan 8.190 nan 0.000 0.436 469 L N 4.974 126.270 121.223 0.122 0.000 2.312 469 L HA 0.348 4.662 4.340 -0.043 0.000 0.287 469 L C 0.461 177.380 176.870 0.081 0.000 1.091 469 L CA -0.113 54.822 54.840 0.158 0.000 0.846 469 L CB 0.265 42.470 42.059 0.243 0.000 1.219 469 L HN 0.590 nan 8.230 nan 0.000 0.439 470 N N 3.777 122.518 118.700 0.069 0.000 2.521 470 N HA 0.037 4.752 4.740 -0.043 0.000 0.236 470 N C 0.136 175.685 175.510 0.065 0.000 1.067 470 N CA -0.266 52.830 53.050 0.077 0.000 0.939 470 N CB 0.508 39.074 38.487 0.132 0.000 1.201 470 N HN 0.526 nan 8.380 nan 0.000 0.511 471 N N 1.795 120.521 118.700 0.043 0.000 2.282 471 N HA 0.090 4.805 4.740 -0.043 0.000 0.240 471 N C -0.560 174.917 175.510 -0.055 0.000 1.182 471 N CA -0.427 52.620 53.050 -0.003 0.000 0.874 471 N CB 0.047 38.536 38.487 0.002 0.000 1.126 471 N HN 0.288 nan 8.380 nan 0.000 0.516 472 D N -0.381 120.001 120.400 -0.030 0.000 2.737 472 D HA -0.060 4.554 4.640 -0.043 0.000 0.238 472 D C 0.485 176.711 176.300 -0.122 0.000 1.157 472 D CA 1.900 55.860 54.000 -0.066 0.000 0.694 472 D CB -1.246 39.509 40.800 -0.073 0.000 1.021 472 D HN 0.889 nan 8.370 nan 0.000 0.420 473 G N -0.249 108.485 108.800 -0.111 0.000 2.298 473 G HA2 -0.011 3.923 3.960 -0.043 0.000 0.309 473 G HA3 -0.011 3.923 3.960 -0.043 0.000 0.309 473 G C -1.166 173.728 174.900 -0.011 0.000 1.279 473 G CA -0.451 44.536 45.100 -0.189 0.000 1.042 473 G HN 0.163 nan 8.290 nan 0.000 0.480 474 Y N 1.770 122.057 120.300 -0.021 0.000 2.632 474 Y HA 0.483 5.008 4.550 -0.042 0.000 0.336 474 Y C 2.007 177.913 175.900 0.010 0.000 1.237 474 Y CA -0.014 58.095 58.100 0.014 0.000 1.595 474 Y CB 0.355 38.847 38.460 0.053 0.000 1.508 474 Y HN 0.700 nan 8.280 nan 0.000 0.480 475 T N 1.381 116.018 114.554 0.138 0.000 2.777 475 T HA -0.181 4.143 4.350 -0.043 0.000 0.266 475 T C 2.097 176.855 174.700 0.098 0.000 1.040 475 T CA 1.420 63.554 62.100 0.057 0.000 1.141 475 T CB -0.159 68.717 68.868 0.013 0.000 0.868 475 T HN 0.692 nan 8.240 nan 0.000 0.444 476 I N 0.236 120.869 120.570 0.104 0.000 2.264 476 I HA -0.221 3.923 4.170 -0.043 0.000 0.248 476 I C 2.543 178.711 176.117 0.086 0.000 1.111 476 I CA 1.658 63.002 61.300 0.073 0.000 1.382 476 I CB -0.187 37.864 38.000 0.084 0.000 1.060 476 I HN 0.443 nan 8.210 nan 0.000 0.418 477 Q N 0.303 120.181 119.800 0.129 0.000 2.083 477 Q HA -0.209 4.105 4.340 -0.043 0.000 0.198 477 Q C 2.183 178.302 176.000 0.199 0.000 0.969 477 Q CA 1.307 57.209 55.803 0.165 0.000 0.838 477 Q CB -0.093 28.772 28.738 0.211 0.000 0.900 477 Q HN 0.494 nan 8.270 nan 0.000 0.436 478 K N 0.732 121.251 120.400 0.198 0.000 2.103 478 K HA -0.124 4.170 4.320 -0.043 0.000 0.207 478 K C 2.008 178.744 176.600 0.227 0.000 1.048 478 K CA 0.969 57.390 56.287 0.223 0.000 0.930 478 K CB -0.124 32.504 32.500 0.214 0.000 0.716 478 K HN 0.180 nan 8.250 nan 0.000 0.444 479 L N 0.411 121.744 121.223 0.184 0.000 2.275 479 L HA -0.150 4.164 4.340 -0.043 0.000 0.215 479 L C 2.035 178.952 176.870 0.079 0.000 1.119 479 L CA 1.005 55.923 54.840 0.130 0.000 0.790 479 L CB -0.234 41.869 42.059 0.074 0.000 0.919 479 L HN 0.201 nan 8.230 nan 0.000 0.443 480 I N -2.684 117.947 120.570 0.102 0.000 3.039 480 I HA 0.009 4.153 4.170 -0.043 0.000 0.270 480 I C 0.550 176.768 176.117 0.168 0.000 1.150 480 I CA 0.162 61.525 61.300 0.104 0.000 1.448 480 I CB 0.396 38.456 38.000 0.100 0.000 1.197 480 I HN 0.123 nan 8.210 nan 0.000 0.450 481 H N -0.282 118.843 119.070 0.093 0.000 3.099 481 H HA 0.457 4.988 4.556 -0.042 0.000 0.342 481 H C -0.081 175.339 175.328 0.154 0.000 1.054 481 H CA -0.128 55.988 56.048 0.113 0.000 1.328 481 H CB 1.461 31.295 29.762 0.120 0.000 1.876 481 H HN 0.208 nan 8.280 nan 0.000 0.495 482 G N 5.719 114.468 108.800 -0.084 0.000 2.370 482 G HA2 -0.196 3.738 3.960 -0.043 0.000 0.295 482 G HA3 -0.196 3.738 3.960 -0.043 0.000 0.295 482 G C -1.727 173.189 174.900 0.026 0.000 1.045 482 G CA -0.079 45.011 45.100 -0.017 0.000 1.199 482 G HN 0.583 nan 8.290 nan 0.000 0.513 483 P HA -0.061 nan 4.420 nan 0.000 0.221 483 P C 1.106 178.532 177.300 0.211 0.000 1.145 483 P CA 1.198 64.426 63.100 0.213 0.000 0.795 483 P CB 0.255 32.014 31.700 0.097 0.000 0.775 484 K N -1.317 119.116 120.400 0.054 0.000 2.506 484 K HA 0.335 4.629 4.320 -0.043 0.000 0.204 484 K C 0.487 177.030 176.600 -0.096 0.000 1.045 484 K CA -0.411 55.885 56.287 0.014 0.000 1.074 484 K CB 1.059 33.573 32.500 0.022 0.000 0.842 484 K HN -0.006 nan 8.250 nan 0.000 0.514 485 A N 1.744 124.441 122.820 -0.205 0.000 2.440 485 A HA 0.021 4.315 4.320 -0.043 0.000 0.251 485 A C 1.473 178.803 177.584 -0.422 0.000 1.089 485 A CA -0.061 51.720 52.037 -0.427 0.000 0.779 485 A CB 0.537 19.000 19.000 -0.896 0.000 1.022 485 A HN 0.234 nan 8.150 nan 0.000 0.492 486 Q N 2.004 121.634 119.800 -0.284 0.000 2.181 486 Q HA -0.240 4.075 4.340 -0.043 0.000 0.205 486 Q C 1.383 177.316 176.000 -0.112 0.000 0.980 486 Q CA 2.593 58.307 55.803 -0.148 0.000 0.862 486 Q CB -0.331 28.376 28.738 -0.051 0.000 0.905 486 Q HN 1.038 nan 8.270 nan 0.000 0.429 487 Y N -0.700 119.627 120.300 0.045 0.000 2.497 487 Y HA 0.056 4.581 4.550 -0.042 0.000 0.292 487 Y C 1.190 177.144 175.900 0.090 0.000 1.137 487 Y CA 0.871 59.014 58.100 0.072 0.000 1.285 487 Y CB -0.645 37.878 38.460 0.104 0.000 0.991 487 Y HN 0.062 nan 8.280 nan 0.000 0.556 488 N N 0.242 118.947 118.700 0.008 0.000 2.336 488 N HA -0.000 4.714 4.740 -0.043 0.000 0.189 488 N C -0.273 175.073 175.510 -0.274 0.000 1.113 488 N CA 0.303 53.393 53.050 0.066 0.000 0.858 488 N CB 0.120 38.661 38.487 0.090 0.000 0.970 488 N HN 0.470 nan 8.380 nan 0.000 0.471 489 E N 0.614 120.649 120.200 -0.275 0.000 2.227 489 E HA 0.400 4.725 4.350 -0.043 0.000 0.268 489 E C 0.351 176.738 176.600 -0.355 0.000 0.990 489 E CA -0.605 55.626 56.400 -0.283 0.000 0.856 489 E CB 2.275 31.878 29.700 -0.162 0.000 1.159 489 E HN 0.160 nan 8.360 nan 0.000 0.401 490 I N -1.806 118.575 120.570 -0.314 0.000 2.934 490 I HA 0.388 4.533 4.170 -0.043 0.000 0.306 490 I C -0.315 175.706 176.117 -0.160 0.000 1.110 490 I CA -1.418 59.712 61.300 -0.282 0.000 1.019 490 I CB 2.001 39.774 38.000 -0.378 0.000 1.227 490 I HN 0.134 nan 8.210 nan 0.000 0.434 491 Q N 2.825 122.567 119.800 -0.097 0.000 2.300 491 Q HA 0.343 4.657 4.340 -0.043 0.000 0.280 491 Q C -0.051 175.935 176.000 -0.024 0.000 1.033 491 Q CA 0.506 56.315 55.803 0.010 0.000 0.903 491 Q CB 0.986 29.823 28.738 0.166 0.000 1.195 491 Q HN 0.891 nan 8.270 nan 0.000 0.386 492 G N 4.374 113.199 108.800 0.041 0.000 2.351 492 G HA2 0.292 4.227 3.960 -0.043 0.000 0.287 492 G HA3 0.292 4.227 3.960 -0.043 0.000 0.287 492 G C -1.108 173.906 174.900 0.191 0.000 1.159 492 G CA -0.574 44.545 45.100 0.030 0.000 0.929 492 G HN 0.501 nan 8.290 nan 0.000 0.435 493 W N 0.766 121.922 121.300 -0.240 0.000 2.359 493 W HA 0.353 4.987 4.660 -0.043 0.000 0.344 493 W C 0.020 176.274 176.519 -0.441 0.000 1.170 493 W CA -1.402 55.747 57.345 -0.326 0.000 1.296 493 W CB 1.066 30.314 29.460 -0.353 0.000 1.197 493 W HN 0.388 nan 8.180 nan 0.000 0.618 494 D N 0.494 120.841 120.400 -0.088 0.000 2.468 494 D HA 0.081 4.695 4.640 -0.043 0.000 0.218 494 D C 1.004 177.259 176.300 -0.075 0.000 1.155 494 D CA 0.056 53.995 54.000 -0.101 0.000 0.924 494 D CB -0.098 40.653 40.800 -0.082 0.000 1.029 494 D HN 0.377 nan 8.370 nan 0.000 0.515 495 H N 2.071 121.203 119.070 0.104 0.000 2.353 495 H HA -0.052 4.478 4.556 -0.043 0.000 0.300 495 H C 1.758 177.094 175.328 0.013 0.000 1.090 495 H CA 1.113 57.220 56.048 0.098 0.000 1.327 495 H CB 0.423 30.251 29.762 0.109 0.000 1.383 495 H HN 0.367 nan 8.280 nan 0.000 0.508 496 L N -0.215 121.074 121.223 0.111 0.000 2.376 496 L HA -0.077 4.237 4.340 -0.043 0.000 0.219 496 L C 1.798 178.648 176.870 -0.033 0.000 1.133 496 L CA 0.484 55.347 54.840 0.039 0.000 0.816 496 L CB -0.074 42.007 42.059 0.038 0.000 0.933 496 L HN 0.194 nan 8.230 nan 0.000 0.449 497 S N -0.121 115.538 115.700 -0.068 0.000 2.561 497 S HA 0.053 4.497 4.470 -0.043 0.000 0.225 497 S C 1.919 176.362 174.600 -0.262 0.000 0.977 497 S CA 0.334 58.447 58.200 -0.145 0.000 0.926 497 S CB 0.018 63.133 63.200 -0.143 0.000 0.769 497 S HN 0.298 nan 8.310 nan 0.000 0.533 498 L N 0.850 121.918 121.223 -0.258 0.000 2.017 498 L HA -0.137 4.178 4.340 -0.043 0.000 0.208 498 L C 2.176 178.733 176.870 -0.521 0.000 1.073 498 L CA 1.236 55.799 54.840 -0.463 0.000 0.745 498 L CB -0.601 41.320 42.059 -0.230 0.000 0.894 498 L HN 0.311 nan 8.230 nan 0.000 0.432 499 L N -0.190 120.822 121.223 -0.351 0.000 1.971 499 L HA -0.185 4.129 4.340 -0.043 0.000 0.215 499 L C -0.154 176.411 176.870 -0.508 0.000 1.072 499 L CA 1.732 56.319 54.840 -0.421 0.000 0.758 499 L CB -1.926 39.770 42.059 -0.606 0.000 0.889 499 L HN 0.252 nan 8.230 nan 0.000 0.433 500 P HA -0.122 nan 4.420 nan 0.000 0.218 500 P C 1.508 178.672 177.300 -0.226 0.000 1.149 500 P CA 1.444 64.331 63.100 -0.355 0.000 0.817 500 P CB -0.176 31.403 31.700 -0.202 0.000 0.785 501 T N -0.238 114.130 114.554 -0.310 0.000 2.759 501 T HA -0.104 4.221 4.350 -0.043 0.000 0.269 501 T C 0.981 175.579 174.700 -0.171 0.000 1.042 501 T CA 1.195 63.109 62.100 -0.311 0.000 1.140 501 T CB -0.645 67.933 68.868 -0.482 0.000 0.864 501 T HN 0.008 nan 8.240 nan 0.000 0.455 502 F N 0.613 120.492 119.950 -0.118 0.000 2.692 502 F HA 0.421 4.923 4.527 -0.042 0.000 0.303 502 F C 1.860 177.608 175.800 -0.087 0.000 1.114 502 F CA -0.779 57.167 58.000 -0.089 0.000 1.361 502 F CB -0.795 38.160 39.000 -0.076 0.000 1.063 502 F HN 0.269 nan 8.300 nan 0.000 0.550 503 G N 0.131 108.957 108.800 0.043 0.000 2.132 503 G HA2 -0.093 3.841 3.960 -0.043 0.000 0.234 503 G HA3 -0.093 3.841 3.960 -0.043 0.000 0.234 503 G C 0.457 175.352 174.900 -0.007 0.000 0.989 503 G CA -0.139 44.968 45.100 0.012 0.000 0.676 503 G HN 0.649 nan 8.290 nan 0.000 0.522 504 A N -0.537 122.242 122.820 -0.067 0.000 2.511 504 A HA 0.657 4.952 4.320 -0.043 0.000 0.242 504 A C 1.158 178.798 177.584 0.094 0.000 1.069 504 A CA 1.340 53.346 52.037 -0.051 0.000 0.763 504 A CB 0.352 19.206 19.000 -0.245 0.000 1.001 504 A HN 0.480 nan 8.150 nan 0.000 0.498 505 K N 0.164 120.664 120.400 0.167 0.000 2.387 505 K HA 0.087 4.382 4.320 -0.043 0.000 0.197 505 K C -0.431 176.279 176.600 0.183 0.000 1.127 505 K CA 0.409 56.803 56.287 0.178 0.000 0.950 505 K CB 0.501 33.044 32.500 0.071 0.000 1.017 505 K HN 0.700 nan 8.250 nan 0.000 0.519 506 D N 0.649 121.155 120.400 0.176 0.000 2.461 506 D HA 0.185 4.799 4.640 -0.043 0.000 0.240 506 D C -1.401 174.980 176.300 0.135 0.000 1.094 506 D CA -0.513 53.525 54.000 0.064 0.000 0.868 506 D CB 0.385 41.199 40.800 0.024 0.000 1.062 506 D HN 0.071 nan 8.370 nan 0.000 0.530 507 Y N -0.321 119.944 120.300 -0.059 0.000 2.713 507 Y HA 0.621 5.145 4.550 -0.042 0.000 0.335 507 Y C -1.406 174.441 175.900 -0.088 0.000 1.222 507 Y CA -1.141 56.913 58.100 -0.077 0.000 1.061 507 Y CB 0.921 39.338 38.460 -0.071 0.000 1.314 507 Y HN 0.041 nan 8.280 nan 0.000 0.453 508 E N 0.829 121.011 120.200 -0.031 0.000 2.293 508 E HA 0.593 4.918 4.350 -0.043 0.000 0.270 508 E C -1.393 175.160 176.600 -0.078 0.000 0.879 508 E CA -1.182 55.124 56.400 -0.157 0.000 0.756 508 E CB 2.685 32.353 29.700 -0.054 0.000 1.208 508 E HN 0.758 nan 8.360 nan 0.000 0.428 509 T N -0.548 113.848 114.554 -0.264 0.000 2.893 509 T HA 0.564 4.888 4.350 -0.043 0.000 0.291 509 T C -0.626 173.744 174.700 -0.550 0.000 1.028 509 T CA -0.884 61.081 62.100 -0.225 0.000 0.995 509 T CB 1.430 70.288 68.868 -0.016 0.000 1.051 509 T HN 0.390 nan 8.240 nan 0.000 0.470 510 H N 0.786 119.846 119.070 -0.017 0.000 2.996 510 H HA 0.556 5.086 4.556 -0.043 0.000 0.368 510 H C -0.813 174.489 175.328 -0.043 0.000 1.185 510 H CA -0.765 55.252 56.048 -0.052 0.000 1.160 510 H CB 2.573 32.263 29.762 -0.120 0.000 1.820 510 H HN 0.707 nan 8.280 nan 0.000 0.547 511 R N 1.576 122.135 120.500 0.098 0.000 2.562 511 R HA 0.553 4.867 4.340 -0.043 0.000 0.298 511 R C -1.230 175.107 176.300 0.061 0.000 0.961 511 R CA -0.850 55.294 56.100 0.073 0.000 0.881 511 R CB 1.421 31.758 30.300 0.062 0.000 1.159 511 R HN 0.425 nan 8.270 nan 0.000 0.450 512 V N 0.904 120.867 119.914 0.082 0.000 2.638 512 V HA 0.841 4.936 4.120 -0.043 0.000 0.306 512 V C -0.301 175.861 176.094 0.113 0.000 1.052 512 V CA -0.132 62.227 62.300 0.098 0.000 0.885 512 V CB 1.537 33.452 31.823 0.153 0.000 0.999 512 V HN 0.924 nan 8.190 nan 0.000 0.424 513 A N 3.204 126.066 122.820 0.070 0.000 2.548 513 A HA 0.644 4.939 4.320 -0.043 0.000 0.236 513 A C 0.896 178.473 177.584 -0.011 0.000 1.246 513 A CA 0.699 52.758 52.037 0.037 0.000 0.993 513 A CB 0.199 19.212 19.000 0.022 0.000 1.209 513 A HN 1.432 nan 8.150 nan 0.000 0.570 514 T N -4.904 109.640 114.554 -0.017 0.000 2.901 514 T HA 0.444 4.768 4.350 -0.043 0.000 0.293 514 T C 0.838 175.458 174.700 -0.133 0.000 1.084 514 T CA 0.473 62.512 62.100 -0.102 0.000 1.008 514 T CB 1.191 70.007 68.868 -0.086 0.000 1.170 514 T HN -0.121 nan 8.240 nan 0.000 0.509 515 T N 1.169 115.502 114.554 -0.368 0.000 2.720 515 T HA 0.015 4.339 4.350 -0.043 0.000 0.268 515 T C 2.221 176.882 174.700 -0.064 0.000 1.037 515 T CA 1.961 63.732 62.100 -0.548 0.000 1.144 515 T CB -0.976 67.300 68.868 -0.986 0.000 0.864 515 T HN 0.876 nan 8.240 nan 0.000 0.444 516 G N 1.040 109.809 108.800 -0.052 0.000 2.418 516 G HA2 -0.177 3.758 3.960 -0.043 0.000 0.217 516 G HA3 -0.177 3.758 3.960 -0.043 0.000 0.217 516 G C 1.458 176.389 174.900 0.053 0.000 1.158 516 G CA 0.632 45.747 45.100 0.026 0.000 0.771 516 G HN 0.509 nan 8.290 nan 0.000 0.545 517 E N -0.743 119.480 120.200 0.038 0.000 2.106 517 E HA -0.106 4.218 4.350 -0.043 0.000 0.192 517 E C 2.000 178.628 176.600 0.047 0.000 0.984 517 E CA 0.570 56.984 56.400 0.024 0.000 0.806 517 E CB -0.210 29.502 29.700 0.021 0.000 0.750 517 E HN 0.611 nan 8.360 nan 0.000 0.458 518 W N 2.351 123.636 121.300 -0.025 0.000 2.354 518 W HA -0.196 4.438 4.660 -0.043 0.000 0.315 518 W C 1.166 177.703 176.519 0.030 0.000 1.206 518 W CA 1.552 58.917 57.345 0.034 0.000 1.290 518 W CB -0.274 29.306 29.460 0.201 0.000 1.152 518 W HN 0.040 nan 8.180 nan 0.000 0.489 519 D N 0.283 120.922 120.400 0.399 0.000 2.097 519 D HA -0.211 4.403 4.640 -0.043 0.000 0.195 519 D C 2.051 178.371 176.300 0.033 0.000 0.989 519 D CA 1.893 56.049 54.000 0.260 0.000 0.827 519 D CB -0.484 40.499 40.800 0.305 0.000 0.966 519 D HN 0.197 nan 8.370 nan 0.000 0.456 520 K N 0.061 120.457 120.400 -0.007 0.000 2.063 520 K HA -0.160 4.134 4.320 -0.043 0.000 0.208 520 K C 2.085 178.578 176.600 -0.179 0.000 1.048 520 K CA 0.741 56.991 56.287 -0.061 0.000 0.928 520 K CB -0.153 32.318 32.500 -0.049 0.000 0.713 520 K HN 0.009 nan 8.250 nan 0.000 0.442 521 L N 0.951 121.968 121.223 -0.344 0.000 2.007 521 L HA -0.125 4.189 4.340 -0.043 0.000 0.205 521 L C 2.367 178.768 176.870 -0.782 0.000 1.073 521 L CA 2.517 56.946 54.840 -0.686 0.000 0.744 521 L CB -0.986 40.507 42.059 -0.942 0.000 0.898 521 L HN 0.416 nan 8.230 nan 0.000 0.435 522 T N -3.787 110.351 114.554 -0.693 0.000 3.055 522 T HA -0.121 4.203 4.350 -0.043 0.000 0.265 522 T C 1.644 176.383 174.700 0.065 0.000 1.111 522 T CA 1.075 62.901 62.100 -0.457 0.000 1.118 522 T CB -0.317 68.121 68.868 -0.717 0.000 0.909 522 T HN 0.518 nan 8.240 nan 0.000 0.501 523 Q N 0.805 120.612 119.800 0.012 0.000 2.424 523 Q HA 0.154 4.468 4.340 -0.043 0.000 0.204 523 Q C 0.238 176.303 176.000 0.108 0.000 0.933 523 Q CA -0.011 55.855 55.803 0.104 0.000 0.929 523 Q CB 0.062 28.849 28.738 0.082 0.000 1.037 523 Q HN 0.608 nan 8.270 nan 0.000 0.511 524 D N 0.907 121.354 120.400 0.079 0.000 2.425 524 D HA -0.052 4.563 4.640 -0.043 0.000 0.247 524 D C 0.871 177.278 176.300 0.178 0.000 1.147 524 D CA 0.338 54.398 54.000 0.100 0.000 0.879 524 D CB 0.894 41.723 40.800 0.048 0.000 1.179 524 D HN -0.120 nan 8.370 nan 0.000 0.456 525 K N 1.847 122.323 120.400 0.127 0.000 2.025 525 K HA -0.172 4.123 4.320 -0.043 0.000 0.207 525 K C 1.940 178.623 176.600 0.138 0.000 1.049 525 K CA 1.385 57.744 56.287 0.120 0.000 0.933 525 K CB -0.099 32.449 32.500 0.079 0.000 0.714 525 K HN 0.561 nan 8.250 nan 0.000 0.438 526 S N 0.237 116.017 115.700 0.133 0.000 2.368 526 S HA -0.195 4.250 4.470 -0.043 0.000 0.225 526 S C 1.932 176.641 174.600 0.182 0.000 1.030 526 S CA 0.999 59.276 58.200 0.127 0.000 0.999 526 S CB -0.732 62.528 63.200 0.101 0.000 0.844 526 S HN 0.411 nan 8.310 nan 0.000 0.459 527 F N 3.360 123.364 119.950 0.090 0.000 2.161 527 F HA -0.016 4.485 4.527 -0.043 0.000 0.300 527 F C 2.093 178.084 175.800 0.318 0.000 1.089 527 F CA 1.608 59.696 58.000 0.147 0.000 1.282 527 F CB -0.564 38.461 39.000 0.042 0.000 1.010 527 F HN 0.238 nan 8.300 nan 0.000 0.485 528 N N 0.132 119.010 118.700 0.297 0.000 2.515 528 N HA -0.116 4.599 4.740 -0.043 0.000 0.185 528 N C -0.188 175.398 175.510 0.128 0.000 1.109 528 N CA 0.491 53.669 53.050 0.214 0.000 0.903 528 N CB -0.363 38.235 38.487 0.185 0.000 0.969 528 N HN 0.282 nan 8.380 nan 0.000 0.450 529 D N 1.567 122.035 120.400 0.115 0.000 2.295 529 D HA 0.002 4.616 4.640 -0.043 0.000 0.248 529 D C -0.072 176.271 176.300 0.072 0.000 1.154 529 D CA -0.501 53.543 54.000 0.073 0.000 0.857 529 D CB 0.367 41.197 40.800 0.049 0.000 1.117 529 D HN 0.098 nan 8.370 nan 0.000 0.468 530 N N 2.267 121.015 118.700 0.081 0.000 3.103 530 N HA -0.063 4.652 4.740 -0.043 0.000 0.305 530 N C 0.269 175.756 175.510 -0.039 0.000 1.232 530 N CA -0.233 52.837 53.050 0.033 0.000 1.190 530 N CB -0.037 38.514 38.487 0.106 0.000 1.461 530 N HN 0.214 nan 8.380 nan 0.000 0.538 531 S N -0.602 115.060 115.700 -0.063 0.000 2.524 531 S HA 0.047 4.492 4.470 -0.043 0.000 0.216 531 S C 0.477 175.038 174.600 -0.066 0.000 0.987 531 S CA -0.153 58.020 58.200 -0.046 0.000 0.909 531 S CB 0.004 63.188 63.200 -0.026 0.000 0.781 531 S HN 0.698 nan 8.310 nan 0.000 0.521 532 K N -0.182 120.145 120.400 -0.121 0.000 2.607 532 K HA 0.479 4.773 4.320 -0.043 0.000 0.287 532 K C -1.407 175.085 176.600 -0.179 0.000 0.996 532 K CA -0.989 55.234 56.287 -0.107 0.000 0.876 532 K CB 0.757 33.215 32.500 -0.070 0.000 1.496 532 K HN 0.104 nan 8.250 nan 0.000 0.415 533 I N 1.620 122.126 120.570 -0.106 0.000 2.648 533 I HA 0.123 4.267 4.170 -0.043 0.000 0.284 533 I C -0.616 175.434 176.117 -0.113 0.000 1.153 533 I CA 0.007 61.233 61.300 -0.123 0.000 1.426 533 I CB 0.322 38.295 38.000 -0.045 0.000 1.381 533 I HN 0.540 nan 8.210 nan 0.000 0.571 534 R N 7.672 128.050 120.500 -0.203 0.000 2.686 534 R HA 0.537 4.852 4.340 -0.043 0.000 0.283 534 R C -1.154 175.084 176.300 -0.104 0.000 0.978 534 R CA -0.888 55.132 56.100 -0.135 0.000 0.897 534 R CB 2.299 32.450 30.300 -0.248 0.000 1.192 534 R HN 0.614 nan 8.270 nan 0.000 0.457 535 M N 3.380 122.957 119.600 -0.039 0.000 2.311 535 M HA 0.491 4.945 4.480 -0.043 0.000 0.325 535 M C -1.622 174.635 176.300 -0.071 0.000 1.061 535 M CA -0.803 54.455 55.300 -0.070 0.000 0.957 535 M CB 1.396 33.981 32.600 -0.025 0.000 1.646 535 M HN 0.546 nan 8.290 nan 0.000 0.434 536 I N 3.762 124.209 120.570 -0.205 0.000 2.411 536 I HA 0.319 4.464 4.170 -0.043 0.000 0.284 536 I C -0.495 175.576 176.117 -0.076 0.000 1.012 536 I CA -0.247 60.934 61.300 -0.199 0.000 1.119 536 I CB 1.821 39.461 38.000 -0.599 0.000 1.261 536 I HN 0.630 nan 8.210 nan 0.000 0.448 537 E N 6.010 126.222 120.200 0.020 0.000 2.167 537 E HA 0.469 4.793 4.350 -0.043 0.000 0.284 537 E C -1.310 175.357 176.600 0.113 0.000 1.016 537 E CA -0.521 55.916 56.400 0.062 0.000 0.817 537 E CB 1.126 30.887 29.700 0.102 0.000 1.080 537 E HN 0.403 nan 8.360 nan 0.000 0.397 538 V N 6.265 126.270 119.914 0.152 0.000 2.347 538 V HA 0.235 4.330 4.120 -0.043 0.000 0.280 538 V C 0.042 176.221 176.094 0.143 0.000 1.021 538 V CA -0.716 61.712 62.300 0.213 0.000 0.847 538 V CB 1.241 33.264 31.823 0.334 0.000 0.990 538 V HN 0.774 nan 8.190 nan 0.000 0.444 539 M N 6.881 126.551 119.600 0.116 0.000 2.084 539 M HA 0.553 5.007 4.480 -0.043 0.000 0.351 539 M C -0.713 175.620 176.300 0.054 0.000 1.240 539 M CA 0.063 55.410 55.300 0.078 0.000 1.083 539 M CB 0.536 33.173 32.600 0.062 0.000 1.593 539 M HN 0.424 nan 8.290 nan 0.000 0.463 540 L N 4.572 125.822 121.223 0.045 0.000 2.371 540 L HA 0.621 4.935 4.340 -0.043 0.000 0.262 540 L C -2.235 174.643 176.870 0.013 0.000 1.006 540 L CA -2.009 52.848 54.840 0.028 0.000 0.818 540 L CB 2.493 44.577 42.059 0.042 0.000 1.354 540 L HN 0.405 nan 8.230 nan 0.000 0.415 541 P HA 0.063 nan 4.420 nan 0.000 0.269 541 P C 0.833 178.103 177.300 -0.049 0.000 1.209 541 P CA -0.404 62.697 63.100 0.002 0.000 0.776 541 P CB 0.774 32.497 31.700 0.037 0.000 0.876 542 V N 1.253 121.084 119.914 -0.137 0.000 2.324 542 V HA -0.239 3.855 4.120 -0.043 0.000 0.250 542 V C 1.340 177.104 176.094 -0.549 0.000 1.060 542 V CA 2.020 64.076 62.300 -0.406 0.000 1.042 542 V CB -1.079 30.362 31.823 -0.637 0.000 0.650 542 V HN 0.519 nan 8.190 nan 0.000 0.450 543 F N -0.605 119.358 119.950 0.023 0.000 2.641 543 F HA 0.337 4.838 4.527 -0.043 0.000 0.302 543 F C 0.667 176.481 175.800 0.024 0.000 1.098 543 F CA -0.968 57.044 58.000 0.020 0.000 1.318 543 F CB -0.148 38.856 39.000 0.007 0.000 1.035 543 F HN 0.106 nan 8.300 nan 0.000 0.551 544 D N 1.099 121.570 120.400 0.119 0.000 2.302 544 D HA 0.607 5.221 4.640 -0.043 0.000 0.248 544 D C -0.315 176.047 176.300 0.104 0.000 1.094 544 D CA 0.168 54.229 54.000 0.102 0.000 0.897 544 D CB 1.094 41.937 40.800 0.072 0.000 1.200 544 D HN 0.197 nan 8.370 nan 0.000 0.429 545 A N 2.849 125.735 122.820 0.109 0.000 2.586 545 A HA 0.584 4.878 4.320 -0.043 0.000 0.291 545 A C -2.794 174.864 177.584 0.124 0.000 1.062 545 A CA -1.156 50.953 52.037 0.120 0.000 0.666 545 A CB 1.022 20.056 19.000 0.056 0.000 1.281 545 A HN 0.488 nan 8.150 nan 0.000 0.421 546 P HA 0.174 nan 4.420 nan 0.000 0.272 546 P C 0.283 177.606 177.300 0.039 0.000 1.240 546 P CA 0.129 63.303 63.100 0.122 0.000 0.791 546 P CB 0.739 32.484 31.700 0.076 0.000 0.978 547 Q N 2.300 122.122 119.800 0.037 0.000 2.124 547 Q HA -0.223 4.091 4.340 -0.043 0.000 0.202 547 Q C 1.639 177.626 176.000 -0.022 0.000 0.977 547 Q CA 2.353 58.161 55.803 0.008 0.000 0.850 547 Q CB -0.928 27.819 28.738 0.015 0.000 0.901 547 Q HN 0.500 nan 8.270 nan 0.000 0.429 548 N N 0.011 118.701 118.700 -0.017 0.000 2.223 548 N HA -0.177 4.537 4.740 -0.043 0.000 0.185 548 N C 1.510 176.957 175.510 -0.106 0.000 1.016 548 N CA 1.485 54.523 53.050 -0.019 0.000 0.863 548 N CB -0.673 37.839 38.487 0.041 0.000 0.983 548 N HN 0.381 nan 8.380 nan 0.000 0.429 549 L N 0.271 121.363 121.223 -0.218 0.000 2.162 549 L HA 0.178 4.492 4.340 -0.043 0.000 0.205 549 L C 2.122 178.835 176.870 -0.261 0.000 1.086 549 L CA 0.817 55.367 54.840 -0.483 0.000 0.778 549 L CB -0.609 41.077 42.059 -0.621 0.000 0.928 549 L HN 0.002 nan 8.230 nan 0.000 0.446 550 V N -0.225 119.609 119.914 -0.134 0.000 2.392 550 V HA -0.277 3.817 4.120 -0.043 0.000 0.249 550 V C 2.628 178.678 176.094 -0.072 0.000 1.059 550 V CA 1.810 64.065 62.300 -0.075 0.000 1.051 550 V CB -0.430 31.374 31.823 -0.030 0.000 0.658 550 V HN 0.454 nan 8.190 nan 0.000 0.455 551 E N -0.211 119.945 120.200 -0.074 0.000 2.047 551 E HA -0.222 4.102 4.350 -0.043 0.000 0.191 551 E C 2.300 178.863 176.600 -0.063 0.000 0.987 551 E CA 1.345 57.711 56.400 -0.056 0.000 0.799 551 E CB -0.262 29.411 29.700 -0.044 0.000 0.752 551 E HN 0.575 nan 8.360 nan 0.000 0.449 552 Q N -0.880 118.864 119.800 -0.092 0.000 2.297 552 Q HA -0.058 4.257 4.340 -0.043 0.000 0.204 552 Q C 1.829 177.782 176.000 -0.077 0.000 0.962 552 Q CA 0.908 56.663 55.803 -0.081 0.000 0.879 552 Q CB -0.022 28.659 28.738 -0.095 0.000 0.947 552 Q HN 0.312 nan 8.270 nan 0.000 0.462 553 A N 1.001 123.765 122.820 -0.093 0.000 1.930 553 A HA -0.150 4.144 4.320 -0.043 0.000 0.217 553 A C 1.874 179.437 177.584 -0.036 0.000 1.175 553 A CA 1.123 53.124 52.037 -0.060 0.000 0.627 553 A CB -0.117 18.848 19.000 -0.058 0.000 0.815 553 A HN 0.144 nan 8.150 nan 0.000 0.443 554 K N -0.233 120.145 120.400 -0.037 0.000 2.228 554 K HA 0.111 4.406 4.320 -0.043 0.000 0.202 554 K C 1.776 178.363 176.600 -0.021 0.000 1.051 554 K CA 0.621 56.892 56.287 -0.027 0.000 0.960 554 K CB -0.531 31.953 32.500 -0.027 0.000 0.743 554 K HN 0.500 nan 8.250 nan 0.000 0.458 555 L N 1.009 122.217 121.223 -0.024 0.000 2.056 555 L HA -0.130 4.184 4.340 -0.043 0.000 0.207 555 L C 2.215 179.078 176.870 -0.011 0.000 1.078 555 L CA 1.334 56.164 54.840 -0.018 0.000 0.749 555 L CB -0.636 41.411 42.059 -0.020 0.000 0.901 555 L HN 0.122 nan 8.230 nan 0.000 0.433 556 T N -0.393 114.154 114.554 -0.010 0.000 2.867 556 T HA -0.001 4.324 4.350 -0.043 0.000 0.268 556 T C 1.272 175.976 174.700 0.006 0.000 1.057 556 T CA 0.781 62.882 62.100 0.001 0.000 1.136 556 T CB -0.158 68.713 68.868 0.005 0.000 0.874 556 T HN 0.395 nan 8.240 nan 0.000 0.466 557 A N 1.207 124.026 122.820 -0.002 0.000 2.911 557 A HA 0.646 4.941 4.320 -0.043 0.000 0.202 557 A C 1.513 179.095 177.584 -0.005 0.000 2.026 557 A CA 0.193 52.228 52.037 -0.003 0.000 0.923 557 A CB -1.142 17.851 19.000 -0.012 0.000 1.859 557 A HN 1.102 nan 8.150 nan 0.000 0.782 558 A N -1.190 121.625 122.820 -0.009 0.000 2.364 558 A HA -0.036 4.258 4.320 -0.043 0.000 0.288 558 A C 0.631 178.212 177.584 -0.004 0.000 1.433 558 A CA 1.445 53.477 52.037 -0.008 0.000 0.757 558 A CB -2.307 16.687 19.000 -0.010 0.000 1.098 558 A HN 1.915 nan 8.150 nan 0.000 0.380 559 T N 0.000 114.553 114.554 -0.002 0.000 3.816 559 T HA 0.000 4.324 4.350 -0.043 0.000 0.228 559 T CA 0.000 62.101 62.100 0.001 0.000 1.349 559 T CB 0.000 68.872 68.868 0.006 0.000 0.612 559 T HN 0.000 nan 8.240 nan 0.000 0.658