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 1pvd_1_B DATA FIRST_RESID 2 DATA SEQUENCE SEITLGKYLF ERLKQVNVNT VFGLPGDFNL SLLDKIYEVE GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARIKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSISXXXXXX XXHHTLGNGD FTVFHRMSAN ISETTAMITD IATAPAEIDR DATA SEQUENCE CIRTTYVTQR PVYLGLPANL VDLNVPAKLL QTPIDMSLKP NDAESEKEVI DATA SEQUENCE DTILALVKDA KNPVILADAC CSRHDVKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE ISEQHPRYGG VYVGTLSKPE VKEAVESADL ILSVGALLSD XXXXXXXXXX DATA SEQUENCE KTKNIVEFHS DHMKIRNATF PGVQMKFVLQ KLLTNIADAA KGYKPVAVPA DATA SEQUENCE RTPANAAVPA STPLKQEWMW NQLGNFLQEG DVVIAETGTS AFGINQTTFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIEKLIH GPKAQYNEIQ GWDHLSLLPT DATA SEQUENCE FGAKDYETHR VATTGEWDKL TQDKSFNDNS KIRMIEIMLP VFDAPQNLVK DATA SEQUENCE QAKLT 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 0.000 174.606 174.600 0.010 0.000 1.055 2 S CA 0.000 58.205 58.200 0.008 0.000 1.107 2 S CB 0.000 63.207 63.200 0.012 0.000 0.593 3 E N 2.061 122.267 120.200 0.010 0.000 2.359 3 E HA 0.808 5.139 4.350 -0.032 0.000 0.266 3 E C -1.061 175.552 176.600 0.022 0.000 0.920 3 E CA -1.087 55.319 56.400 0.010 0.000 0.788 3 E CB 2.559 32.259 29.700 -0.001 0.000 1.279 3 E HN 0.598 nan 8.360 nan 0.000 0.438 4 I N 0.707 121.294 120.570 0.028 0.000 2.894 4 I HA 0.256 4.407 4.170 -0.032 0.000 0.302 4 I C -0.665 175.477 176.117 0.042 0.000 1.188 4 I CA -0.652 60.677 61.300 0.048 0.000 1.014 4 I CB 2.486 40.536 38.000 0.083 0.000 1.242 4 I HN 0.768 nan 8.210 nan 0.000 0.430 5 T N 3.103 117.686 114.554 0.048 0.000 2.918 5 T HA 0.125 4.456 4.350 -0.032 0.000 0.302 5 T C 0.952 175.689 174.700 0.060 0.000 1.045 5 T CA -0.476 61.647 62.100 0.038 0.000 1.114 5 T CB 1.278 70.171 68.868 0.041 0.000 0.965 5 T HN 0.592 nan 8.240 nan 0.000 0.540 6 L N 2.789 124.027 121.223 0.026 0.000 2.127 6 L HA 0.142 4.463 4.340 -0.032 0.000 0.211 6 L C 2.461 179.374 176.870 0.071 0.000 1.089 6 L CA 2.327 57.186 54.840 0.032 0.000 0.757 6 L CB -1.145 40.895 42.059 -0.032 0.000 0.899 6 L HN 0.962 nan 8.230 nan 0.000 0.434 7 G N -1.004 107.829 108.800 0.053 0.000 2.432 7 G HA2 -0.289 3.652 3.960 -0.032 0.000 0.219 7 G HA3 -0.289 3.652 3.960 -0.032 0.000 0.219 7 G C 1.741 176.716 174.900 0.125 0.000 1.135 7 G CA 0.838 45.974 45.100 0.061 0.000 0.767 7 G HN 0.427 nan 8.290 nan 0.000 0.550 8 K N -1.029 119.458 120.400 0.144 0.000 2.166 8 K HA 0.045 4.345 4.320 -0.032 0.000 0.201 8 K C 2.036 178.714 176.600 0.131 0.000 1.052 8 K CA 0.088 56.478 56.287 0.171 0.000 0.969 8 K CB -0.244 32.331 32.500 0.124 0.000 0.761 8 K HN 0.267 nan 8.250 nan 0.000 0.459 9 Y N 1.775 122.072 120.300 -0.005 0.000 2.069 9 Y HA -0.349 4.181 4.550 -0.033 0.000 0.278 9 Y C 1.921 177.778 175.900 -0.072 0.000 1.175 9 Y CA 1.925 60.007 58.100 -0.030 0.000 1.134 9 Y CB -0.549 37.887 38.460 -0.040 0.000 0.965 9 Y HN 0.108 nan 8.280 nan 0.000 0.498 10 L N -0.400 120.753 121.223 -0.117 0.000 1.978 10 L HA -0.277 4.044 4.340 -0.032 0.000 0.218 10 L C 2.164 178.789 176.870 -0.408 0.000 1.075 10 L CA 2.225 56.860 54.840 -0.342 0.000 0.767 10 L CB -1.191 40.563 42.059 -0.508 0.000 0.890 10 L HN 0.244 nan 8.230 nan 0.000 0.434 11 F N 0.017 119.912 119.950 -0.092 0.000 2.216 11 F HA -0.146 4.363 4.527 -0.031 0.000 0.300 11 F C 2.565 178.295 175.800 -0.117 0.000 1.085 11 F CA 1.303 59.242 58.000 -0.101 0.000 1.326 11 F CB -0.678 38.263 39.000 -0.098 0.000 1.027 11 F HN 0.199 nan 8.300 nan 0.000 0.497 12 E N -0.095 120.104 120.200 -0.002 0.000 2.107 12 E HA -0.110 4.221 4.350 -0.032 0.000 0.191 12 E C 2.425 178.940 176.600 -0.141 0.000 0.982 12 E CA 0.514 56.877 56.400 -0.061 0.000 0.809 12 E CB -0.186 29.471 29.700 -0.072 0.000 0.756 12 E HN 0.251 nan 8.360 nan 0.000 0.459 13 R N 0.564 120.901 120.500 -0.271 0.000 2.081 13 R HA -0.064 4.257 4.340 -0.032 0.000 0.235 13 R C 2.287 178.498 176.300 -0.149 0.000 1.131 13 R CA 0.554 56.490 56.100 -0.272 0.000 0.960 13 R CB -0.708 29.345 30.300 -0.411 0.000 0.856 13 R HN 0.176 nan 8.270 nan 0.000 0.436 14 L N 1.178 122.335 121.223 -0.111 0.000 2.083 14 L HA -0.108 4.213 4.340 -0.032 0.000 0.209 14 L C 2.341 179.200 176.870 -0.018 0.000 1.083 14 L CA 1.530 56.345 54.840 -0.041 0.000 0.752 14 L CB -1.118 40.944 42.059 0.004 0.000 0.899 14 L HN 0.192 nan 8.230 nan 0.000 0.433 15 K N -0.015 120.377 120.400 -0.013 0.000 2.063 15 K HA -0.220 4.081 4.320 -0.032 0.000 0.208 15 K C 1.990 178.571 176.600 -0.032 0.000 1.048 15 K CA 1.492 57.771 56.287 -0.014 0.000 0.928 15 K CB 0.053 32.546 32.500 -0.011 0.000 0.713 15 K HN 0.400 nan 8.250 nan 0.000 0.442 16 Q N -0.324 119.443 119.800 -0.054 0.000 2.291 16 Q HA -0.080 4.241 4.340 -0.032 0.000 0.205 16 Q C 1.600 177.557 176.000 -0.072 0.000 0.970 16 Q CA 0.847 56.613 55.803 -0.063 0.000 0.876 16 Q CB 0.331 29.021 28.738 -0.079 0.000 0.935 16 Q HN 0.116 nan 8.270 nan 0.000 0.455 17 V N 0.975 120.844 119.914 -0.074 0.000 3.621 17 V HA -0.004 4.097 4.120 -0.032 0.000 0.285 17 V C -0.155 175.907 176.094 -0.053 0.000 1.346 17 V CA 0.147 62.390 62.300 -0.095 0.000 1.104 17 V CB -0.131 31.634 31.823 -0.098 0.000 0.913 17 V HN 0.463 nan 8.190 nan 0.000 0.432 18 N N -0.037 118.651 118.700 -0.020 0.000 2.783 18 N HA -0.138 4.582 4.740 -0.032 0.000 0.247 18 N C -0.189 175.373 175.510 0.087 0.000 1.089 18 N CA 0.551 53.608 53.050 0.013 0.000 0.690 18 N CB -1.130 37.354 38.487 -0.006 0.000 0.991 18 N HN 0.323 nan 8.380 nan 0.000 0.552 19 V N 1.722 121.692 119.914 0.094 0.000 2.320 19 V HA 0.195 4.296 4.120 -0.032 0.000 0.265 19 V C 1.209 177.334 176.094 0.052 0.000 1.048 19 V CA -0.453 61.947 62.300 0.165 0.000 0.865 19 V CB 1.213 33.101 31.823 0.109 0.000 1.043 19 V HN 0.251 nan 8.190 nan 0.000 0.474 20 N N 2.260 121.008 118.700 0.079 0.000 2.322 20 N HA 0.024 4.745 4.740 -0.032 0.000 0.181 20 N C 0.911 176.254 175.510 -0.278 0.000 1.088 20 N CA 0.257 53.267 53.050 -0.066 0.000 0.885 20 N CB 1.021 39.493 38.487 -0.025 0.000 1.013 20 N HN 0.634 nan 8.380 nan 0.000 0.472 21 T N 0.637 114.877 114.554 -0.525 0.000 2.823 21 T HA 0.508 4.839 4.350 -0.032 0.000 0.279 21 T C -0.665 173.353 174.700 -1.137 0.000 0.998 21 T CA -0.503 60.992 62.100 -1.008 0.000 0.994 21 T CB 1.560 69.573 68.868 -1.425 0.000 0.960 21 T HN -0.255 nan 8.240 nan 0.000 0.448 22 V N 5.622 124.941 119.914 -0.990 0.000 2.417 22 V HA 0.554 4.655 4.120 -0.032 0.000 0.291 22 V C -0.544 174.917 176.094 -1.055 0.000 1.024 22 V CA -0.825 61.063 62.300 -0.687 0.000 0.861 22 V CB 0.846 32.635 31.823 -0.057 0.000 0.985 22 V HN 0.848 nan 8.190 nan 0.000 0.436 23 F N 2.172 121.860 119.950 -0.436 0.000 2.380 23 F HA 0.915 5.422 4.527 -0.032 0.000 0.319 23 F C 1.009 176.518 175.800 -0.486 0.000 1.113 23 F CA 0.558 58.249 58.000 -0.516 0.000 1.056 23 F CB 1.555 40.372 39.000 -0.305 0.000 1.289 23 F HN 0.830 nan 8.300 nan 0.000 0.515 24 G N 0.352 108.996 108.800 -0.259 0.000 2.331 24 G HA2 0.198 4.139 3.960 -0.032 0.000 0.402 24 G HA3 0.198 4.139 3.960 -0.032 0.000 0.402 24 G C -2.363 172.577 174.900 0.066 0.000 1.275 24 G CA -1.185 43.912 45.100 -0.004 0.000 1.003 24 G HN 0.562 nan 8.290 nan 0.000 0.500 25 L N 0.988 122.426 121.223 0.359 0.000 2.371 25 L HA 0.593 4.914 4.340 -0.032 0.000 0.262 25 L C -2.006 175.116 176.870 0.419 0.000 1.006 25 L CA -1.561 53.529 54.840 0.417 0.000 0.818 25 L CB 2.302 44.483 42.059 0.203 0.000 1.354 25 L HN 0.556 nan 8.230 nan 0.000 0.415 26 P HA 0.380 nan 4.420 nan 0.000 0.272 26 P C -0.459 176.890 177.300 0.080 0.000 1.230 26 P CA 0.053 63.222 63.100 0.114 0.000 0.788 26 P CB 1.465 33.197 31.700 0.053 0.000 0.949 27 G N 0.323 109.138 108.800 0.025 0.000 2.550 27 G HA2 0.204 4.145 3.960 -0.032 0.000 0.293 27 G HA3 0.204 4.145 3.960 -0.032 0.000 0.293 27 G C -0.080 174.773 174.900 -0.077 0.000 1.402 27 G CA -0.504 44.590 45.100 -0.011 0.000 0.784 27 G HN 0.261 nan 8.290 nan 0.000 0.482 28 D N -0.351 119.951 120.400 -0.163 0.000 2.149 28 D HA -0.109 4.512 4.640 -0.032 0.000 0.194 28 D C 1.626 177.542 176.300 -0.639 0.000 1.001 28 D CA 1.650 55.386 54.000 -0.439 0.000 0.849 28 D CB -0.102 40.345 40.800 -0.588 0.000 0.939 28 D HN 0.238 nan 8.370 nan 0.000 0.449 29 F N -0.004 119.985 119.950 0.065 0.000 2.693 29 F HA 0.152 4.661 4.527 -0.029 0.000 0.303 29 F C 1.070 176.881 175.800 0.017 0.000 1.097 29 F CA -0.127 57.897 58.000 0.040 0.000 1.330 29 F CB -0.193 38.841 39.000 0.057 0.000 1.067 29 F HN -0.025 nan 8.300 nan 0.000 0.565 30 N N -0.827 117.923 118.700 0.083 0.000 2.143 30 N HA 0.057 4.778 4.740 -0.032 0.000 0.222 30 N C 1.020 176.513 175.510 -0.028 0.000 1.264 30 N CA 0.091 53.167 53.050 0.043 0.000 0.897 30 N CB -0.842 37.680 38.487 0.057 0.000 1.092 30 N HN 0.220 nan 8.380 nan 0.000 0.516 31 L N 0.058 121.251 121.223 -0.049 0.000 2.043 31 L HA -0.122 4.199 4.340 -0.032 0.000 0.212 31 L C 1.724 178.559 176.870 -0.059 0.000 1.075 31 L CA 1.531 56.325 54.840 -0.076 0.000 0.752 31 L CB -0.651 41.364 42.059 -0.073 0.000 0.891 31 L HN 0.143 nan 8.230 nan 0.000 0.432 32 S N -0.242 115.442 115.700 -0.026 0.000 2.428 32 S HA -0.053 4.398 4.470 -0.032 0.000 0.230 32 S C 1.893 176.498 174.600 0.009 0.000 1.014 32 S CA 0.673 58.868 58.200 -0.008 0.000 0.957 32 S CB -0.128 63.076 63.200 0.005 0.000 0.784 32 S HN 0.299 nan 8.310 nan 0.000 0.499 33 L N 1.014 122.245 121.223 0.014 0.000 1.988 33 L HA -0.087 4.234 4.340 -0.032 0.000 0.207 33 L C 2.059 178.970 176.870 0.068 0.000 1.071 33 L CA 1.293 56.182 54.840 0.081 0.000 0.744 33 L CB -0.522 41.579 42.059 0.070 0.000 0.893 33 L HN 0.260 nan 8.230 nan 0.000 0.433 34 L N 0.502 121.663 121.223 -0.103 0.000 2.054 34 L HA -0.354 3.967 4.340 -0.032 0.000 0.220 34 L C 2.289 178.969 176.870 -0.317 0.000 1.081 34 L CA 1.948 56.569 54.840 -0.364 0.000 0.780 34 L CB -1.256 40.506 42.059 -0.494 0.000 0.893 34 L HN 0.350 nan 8.230 nan 0.000 0.438 35 D N -0.640 119.696 120.400 -0.107 0.000 2.228 35 D HA -0.179 4.442 4.640 -0.032 0.000 0.203 35 D C 2.034 178.319 176.300 -0.024 0.000 0.988 35 D CA 0.877 54.889 54.000 0.019 0.000 0.864 35 D CB -0.077 40.737 40.800 0.022 0.000 0.928 35 D HN 0.369 nan 8.370 nan 0.000 0.469 36 K N 0.392 120.743 120.400 -0.081 0.000 2.288 36 K HA 0.017 4.318 4.320 -0.032 0.000 0.201 36 K C 2.262 178.683 176.600 -0.297 0.000 1.048 36 K CA 0.109 56.367 56.287 -0.048 0.000 0.956 36 K CB 0.044 32.650 32.500 0.178 0.000 0.746 36 K HN 0.315 nan 8.250 nan 0.000 0.461 37 I N 0.318 120.398 120.570 -0.817 0.000 2.226 37 I HA -0.282 3.869 4.170 -0.032 0.000 0.245 37 I C 1.610 177.348 176.117 -0.632 0.000 1.100 37 I CA 1.417 62.030 61.300 -1.146 0.000 1.374 37 I CB -0.520 36.653 38.000 -1.379 0.000 1.057 37 I HN 0.039 nan 8.210 nan 0.000 0.413 38 Y N 0.864 121.016 120.300 -0.247 0.000 2.632 38 Y HA -0.070 4.461 4.550 -0.031 0.000 0.301 38 Y C 2.062 177.909 175.900 -0.090 0.000 1.172 38 Y CA 0.445 58.465 58.100 -0.134 0.000 1.328 38 Y CB -0.714 37.683 38.460 -0.104 0.000 1.016 38 Y HN 0.256 nan 8.280 nan 0.000 0.529 39 E N -0.606 119.598 120.200 0.006 0.000 2.452 39 E HA 0.108 4.439 4.350 -0.032 0.000 0.197 39 E C -0.333 176.269 176.600 0.002 0.000 1.022 39 E CA 0.049 56.460 56.400 0.019 0.000 0.890 39 E CB 0.554 30.268 29.700 0.024 0.000 0.918 39 E HN 0.029 nan 8.360 nan 0.000 0.496 40 V N 2.465 122.358 119.914 -0.036 0.000 2.333 40 V HA 0.101 4.202 4.120 -0.032 0.000 0.274 40 V C 0.125 176.200 176.094 -0.033 0.000 1.028 40 V CA -0.545 61.738 62.300 -0.028 0.000 0.851 40 V CB 1.143 32.955 31.823 -0.018 0.000 1.000 40 V HN 0.106 nan 8.190 nan 0.000 0.456 41 E N 3.276 123.471 120.200 -0.007 0.000 2.415 41 E HA 0.316 4.647 4.350 -0.032 0.000 0.260 41 E C 1.243 177.838 176.600 -0.009 0.000 1.016 41 E CA 1.062 57.463 56.400 0.001 0.000 0.924 41 E CB 0.519 30.223 29.700 0.007 0.000 0.961 41 E HN 1.058 nan 8.360 nan 0.000 0.459 42 G N 3.811 112.606 108.800 -0.008 0.000 2.176 42 G HA2 -0.206 3.735 3.960 -0.032 0.000 0.232 42 G HA3 -0.206 3.735 3.960 -0.032 0.000 0.232 42 G C 0.235 175.102 174.900 -0.054 0.000 0.986 42 G CA -0.094 44.996 45.100 -0.016 0.000 0.643 42 G HN 0.400 nan 8.290 nan 0.000 0.522 43 M N 0.290 119.838 119.600 -0.086 0.000 2.342 43 M HA 0.676 5.137 4.480 -0.032 0.000 0.332 43 M C 0.730 176.913 176.300 -0.196 0.000 1.166 43 M CA -0.374 54.825 55.300 -0.167 0.000 1.086 43 M CB 1.247 33.715 32.600 -0.220 0.000 1.541 43 M HN 0.587 nan 8.290 nan 0.000 0.462 44 R N 0.554 120.875 120.500 -0.298 0.000 2.643 44 R HA 0.483 4.804 4.340 -0.032 0.000 0.269 44 R C -1.838 174.248 176.300 -0.356 0.000 1.037 44 R CA -0.907 55.029 56.100 -0.273 0.000 0.894 44 R CB 1.678 31.791 30.300 -0.312 0.000 1.238 44 R HN 0.837 nan 8.270 nan 0.000 0.459 45 W N 3.428 124.511 121.300 -0.361 0.000 2.376 45 W HA 0.444 5.084 4.660 -0.033 0.000 0.312 45 W C -0.102 176.305 176.519 -0.186 0.000 1.060 45 W CA -0.278 56.871 57.345 -0.326 0.000 1.221 45 W CB 1.883 31.223 29.460 -0.200 0.000 1.281 45 W HN 0.966 nan 8.180 nan 0.000 0.456 46 A N 4.479 126.767 122.820 -0.887 0.000 1.902 46 A HA 0.095 4.396 4.320 -0.032 0.000 0.217 46 A C 1.466 179.017 177.584 -0.055 0.000 1.181 46 A CA 1.710 53.415 52.037 -0.553 0.000 0.623 46 A CB -1.170 17.474 19.000 -0.594 0.000 0.818 46 A HN 1.581 nan 8.150 nan 0.000 0.443 47 G N -0.282 108.208 108.800 -0.517 0.000 2.545 47 G HA2 -0.197 3.744 3.960 -0.032 0.000 0.279 47 G HA3 -0.197 3.744 3.960 -0.032 0.000 0.279 47 G C -0.410 174.484 174.900 -0.011 0.000 1.131 47 G CA 0.101 45.156 45.100 -0.075 0.000 1.100 47 G HN 0.697 nan 8.290 nan 0.000 0.525 48 N N -0.301 118.339 118.700 -0.100 0.000 2.415 48 N HA 0.511 5.232 4.740 -0.032 0.000 0.248 48 N C 1.502 177.023 175.510 0.019 0.000 1.271 48 N CA 0.365 53.416 53.050 0.001 0.000 0.913 48 N CB 0.705 39.187 38.487 -0.009 0.000 1.129 48 N HN 0.577 nan 8.380 nan 0.000 0.444 49 A N 0.709 123.533 122.820 0.006 0.000 2.208 49 A HA 0.044 4.345 4.320 -0.032 0.000 0.209 49 A C 0.122 177.709 177.584 0.004 0.000 1.161 49 A CA 0.714 52.743 52.037 -0.012 0.000 0.782 49 A CB -0.785 18.173 19.000 -0.070 0.000 0.816 49 A HN 0.863 nan 8.150 nan 0.000 0.477 50 N N -2.782 115.922 118.700 0.008 0.000 3.265 50 N HA 0.191 4.912 4.740 -0.032 0.000 0.235 50 N C -0.585 174.919 175.510 -0.011 0.000 1.343 50 N CA -0.333 52.721 53.050 0.008 0.000 0.904 50 N CB 0.188 38.682 38.487 0.011 0.000 1.492 50 N HN -0.166 nan 8.380 nan 0.000 0.504 51 E N 0.290 120.484 120.200 -0.011 0.000 2.204 51 E HA 0.067 4.398 4.350 -0.032 0.000 0.194 51 E C 1.241 177.775 176.600 -0.111 0.000 0.989 51 E CA 0.603 56.982 56.400 -0.034 0.000 0.824 51 E CB 0.040 29.737 29.700 -0.004 0.000 0.756 51 E HN 0.555 nan 8.360 nan 0.000 0.477 52 L N 0.682 121.822 121.223 -0.138 0.000 2.023 52 L HA -0.160 4.161 4.340 -0.032 0.000 0.205 52 L C 1.440 178.050 176.870 -0.433 0.000 1.073 52 L CA 1.264 55.916 54.840 -0.313 0.000 0.745 52 L CB -0.173 41.735 42.059 -0.250 0.000 0.900 52 L HN 0.158 nan 8.230 nan 0.000 0.435 53 N N 0.700 119.282 118.700 -0.196 0.000 2.104 53 N HA -0.181 4.540 4.740 -0.032 0.000 0.190 53 N C 1.762 177.228 175.510 -0.074 0.000 1.024 53 N CA 1.585 54.609 53.050 -0.044 0.000 0.853 53 N CB -0.449 38.059 38.487 0.034 0.000 1.008 53 N HN 0.410 nan 8.380 nan 0.000 0.424 54 A N 0.506 123.271 122.820 -0.091 0.000 1.972 54 A HA 0.044 4.345 4.320 -0.032 0.000 0.219 54 A C 2.284 179.767 177.584 -0.169 0.000 1.169 54 A CA 1.858 53.841 52.037 -0.090 0.000 0.635 54 A CB -0.629 18.350 19.000 -0.035 0.000 0.810 54 A HN 0.340 nan 8.150 nan 0.000 0.446 55 A N -1.480 121.228 122.820 -0.186 0.000 1.898 55 A HA 0.099 4.400 4.320 -0.032 0.000 0.214 55 A C 2.028 179.590 177.584 -0.037 0.000 1.183 55 A CA 1.159 53.097 52.037 -0.166 0.000 0.622 55 A CB -0.683 18.189 19.000 -0.214 0.000 0.824 55 A HN 0.470 nan 8.150 nan 0.000 0.444 56 Y N 0.282 120.558 120.300 -0.041 0.000 2.114 56 Y HA -0.198 4.333 4.550 -0.032 0.000 0.282 56 Y C 2.992 178.767 175.900 -0.208 0.000 1.165 56 Y CA 0.481 58.574 58.100 -0.012 0.000 1.148 56 Y CB -1.250 37.189 38.460 -0.035 0.000 0.972 56 Y HN 0.337 nan 8.280 nan 0.000 0.504 57 A N 0.012 122.733 122.820 -0.163 0.000 1.877 57 A HA -0.128 4.173 4.320 -0.032 0.000 0.216 57 A C 2.535 179.659 177.584 -0.767 0.000 1.186 57 A CA 2.165 53.901 52.037 -0.502 0.000 0.620 57 A CB -1.260 17.337 19.000 -0.673 0.000 0.822 57 A HN 0.388 nan 8.150 nan 0.000 0.443 58 A N -0.550 121.816 122.820 -0.756 0.000 1.972 58 A HA -0.212 4.089 4.320 -0.032 0.000 0.219 58 A C 1.936 179.475 177.584 -0.076 0.000 1.169 58 A CA 1.881 53.663 52.037 -0.425 0.000 0.635 58 A CB -0.549 18.378 19.000 -0.122 0.000 0.810 58 A HN 0.607 nan 8.150 nan 0.000 0.446 59 D N -0.353 120.038 120.400 -0.016 0.000 2.084 59 D HA -0.091 4.530 4.640 -0.032 0.000 0.196 59 D C 2.138 178.506 176.300 0.114 0.000 0.985 59 D CA 1.540 55.616 54.000 0.126 0.000 0.826 59 D CB -0.365 40.630 40.800 0.326 0.000 0.978 59 D HN 0.331 nan 8.370 nan 0.000 0.456 60 G N -0.310 108.510 108.800 0.034 0.000 2.491 60 G HA2 -0.335 3.606 3.960 -0.032 0.000 0.218 60 G HA3 -0.335 3.606 3.960 -0.032 0.000 0.218 60 G C 1.660 176.581 174.900 0.035 0.000 1.180 60 G CA 1.064 46.161 45.100 -0.004 0.000 0.774 60 G HN 0.370 nan 8.290 nan 0.000 0.562 61 Y N 1.942 122.201 120.300 -0.068 0.000 2.128 61 Y HA -0.056 4.474 4.550 -0.032 0.000 0.284 61 Y C 3.005 178.920 175.900 0.025 0.000 1.154 61 Y CA 1.733 59.853 58.100 0.034 0.000 1.149 61 Y CB -0.333 38.244 38.460 0.195 0.000 0.976 61 Y HN 0.260 nan 8.280 nan 0.000 0.505 62 A N 0.424 123.371 122.820 0.212 0.000 1.933 62 A HA -0.198 4.103 4.320 -0.032 0.000 0.218 62 A C 2.269 179.860 177.584 0.012 0.000 1.175 62 A CA 1.691 53.805 52.037 0.128 0.000 0.628 62 A CB -0.626 18.456 19.000 0.137 0.000 0.814 62 A HN 0.534 nan 8.150 nan 0.000 0.444 63 R N -0.673 119.829 120.500 0.004 0.000 2.103 63 R HA -0.145 4.176 4.340 -0.032 0.000 0.242 63 R C 1.816 177.987 176.300 -0.214 0.000 1.142 63 R CA 1.631 57.718 56.100 -0.023 0.000 0.960 63 R CB -0.371 29.968 30.300 0.064 0.000 0.858 63 R HN 0.473 nan 8.270 nan 0.000 0.439 64 I N 0.194 120.572 120.570 -0.319 0.000 2.385 64 I HA -0.102 4.049 4.170 -0.032 0.000 0.244 64 I C 2.080 178.015 176.117 -0.303 0.000 1.089 64 I CA 1.257 62.291 61.300 -0.444 0.000 1.410 64 I CB -0.740 37.013 38.000 -0.412 0.000 1.117 64 I HN -0.020 nan 8.210 nan 0.000 0.429 65 K N 0.014 120.220 120.400 -0.323 0.000 2.243 65 K HA 0.110 4.411 4.320 -0.032 0.000 0.201 65 K C 1.318 177.871 176.600 -0.078 0.000 1.051 65 K CA 1.195 57.323 56.287 -0.265 0.000 0.970 65 K CB 0.331 32.502 32.500 -0.549 0.000 0.755 65 K HN 0.425 nan 8.250 nan 0.000 0.465 66 G N -0.950 107.844 108.800 -0.010 0.000 2.905 66 G HA2 -0.114 3.827 3.960 -0.032 0.000 0.196 66 G HA3 -0.114 3.827 3.960 -0.032 0.000 0.196 66 G C 0.024 175.034 174.900 0.183 0.000 1.044 66 G CA -0.011 45.169 45.100 0.134 0.000 0.778 66 G HN 0.184 nan 8.290 nan 0.000 0.474 67 M N 0.494 120.214 119.600 0.199 0.000 2.880 67 M HA 0.557 5.018 4.480 -0.032 0.000 0.269 67 M C -1.081 175.396 176.300 0.295 0.000 1.248 67 M CA 0.062 55.499 55.300 0.228 0.000 0.821 67 M CB 2.221 34.983 32.600 0.270 0.000 1.650 67 M HN 0.856 nan 8.290 nan 0.000 0.479 68 S N -0.173 115.683 115.700 0.260 0.000 2.656 68 S HA 0.795 5.246 4.470 -0.032 0.000 0.273 68 S C -1.665 173.036 174.600 0.167 0.000 1.168 68 S CA -0.846 57.526 58.200 0.287 0.000 0.817 68 S CB 1.843 65.245 63.200 0.338 0.000 1.146 68 S HN 0.994 nan 8.310 nan 0.000 0.475 69 C N 1.572 120.953 119.300 0.135 0.000 2.608 69 C HA 0.819 5.260 4.460 -0.032 0.000 0.325 69 C C -0.894 174.189 174.990 0.155 0.000 1.147 69 C CA -0.543 58.543 59.018 0.113 0.000 1.359 69 C CB -0.061 27.719 27.740 0.067 0.000 1.912 69 C HN 1.010 nan 8.230 nan 0.000 0.466 70 I N 6.475 127.144 120.570 0.165 0.000 2.509 70 I HA 0.688 4.838 4.170 -0.032 0.000 0.293 70 I C -1.258 175.006 176.117 0.245 0.000 1.020 70 I CA -0.923 60.484 61.300 0.178 0.000 1.088 70 I CB 1.477 39.520 38.000 0.071 0.000 1.267 70 I HN 0.690 nan 8.210 nan 0.000 0.430 71 I N 6.747 127.496 120.570 0.298 0.000 2.406 71 I HA 0.402 4.553 4.170 -0.032 0.000 0.290 71 I C -0.041 176.273 176.117 0.329 0.000 0.999 71 I CA -0.317 61.175 61.300 0.320 0.000 1.124 71 I CB 2.115 40.338 38.000 0.373 0.000 1.289 71 I HN 0.639 nan 8.210 nan 0.000 0.441 72 T N 0.554 115.270 114.554 0.269 0.000 2.858 72 T HA 0.489 4.820 4.350 -0.032 0.000 0.285 72 T C -0.317 174.487 174.700 0.172 0.000 1.052 72 T CA -0.725 61.520 62.100 0.242 0.000 1.009 72 T CB 2.128 71.176 68.868 0.301 0.000 1.241 72 T HN 0.424 nan 8.240 nan 0.000 0.542 73 T N 0.184 114.829 114.554 0.152 0.000 2.925 73 T HA 0.536 4.867 4.350 -0.032 0.000 0.285 73 T C -0.763 174.051 174.700 0.189 0.000 1.021 73 T CA -0.806 61.403 62.100 0.181 0.000 1.042 73 T CB 0.302 69.245 68.868 0.125 0.000 1.037 73 T HN 0.526 nan 8.240 nan 0.000 0.481 74 F N 3.528 123.560 119.950 0.137 0.000 2.623 74 F HA 0.347 4.853 4.527 -0.034 0.000 0.383 74 F C 1.397 177.180 175.800 -0.029 0.000 1.077 74 F CA 1.828 59.895 58.000 0.112 0.000 1.268 74 F CB -0.255 38.861 39.000 0.194 0.000 1.053 74 F HN 0.928 nan 8.300 nan 0.000 0.571 75 G N 4.002 112.254 108.800 -0.913 0.000 4.766 75 G HA2 -0.392 3.549 3.960 -0.032 0.000 0.314 75 G HA3 -0.392 3.549 3.960 -0.032 0.000 0.314 75 G C 1.070 175.562 174.900 -0.680 0.000 1.427 75 G CA 1.231 45.539 45.100 -1.320 0.000 1.024 75 G HN 1.608 nan 8.290 nan 0.000 0.754 76 V N -0.007 119.700 119.914 -0.345 0.000 2.392 76 V HA 0.187 4.288 4.120 -0.032 0.000 0.249 76 V C 2.696 178.719 176.094 -0.118 0.000 1.059 76 V CA 2.957 65.149 62.300 -0.180 0.000 1.051 76 V CB -1.440 30.323 31.823 -0.099 0.000 0.658 76 V HN 1.685 nan 8.190 nan 0.000 0.455 77 G N 1.177 109.927 108.800 -0.084 0.000 2.417 77 G HA2 -0.142 3.799 3.960 -0.032 0.000 0.212 77 G HA3 -0.142 3.799 3.960 -0.032 0.000 0.212 77 G C 1.488 176.412 174.900 0.041 0.000 1.187 77 G CA 0.742 45.846 45.100 0.008 0.000 0.804 77 G HN 0.769 nan 8.290 nan 0.000 0.534 78 E N 0.472 120.696 120.200 0.041 0.000 2.077 78 E HA -0.066 4.265 4.350 -0.032 0.000 0.193 78 E C 2.341 178.998 176.600 0.094 0.000 0.989 78 E CA 0.743 57.241 56.400 0.163 0.000 0.800 78 E CB -0.479 29.283 29.700 0.104 0.000 0.746 78 E HN 0.403 nan 8.360 nan 0.000 0.452 79 L N 1.178 122.357 121.223 -0.074 0.000 2.093 79 L HA -0.090 4.231 4.340 -0.032 0.000 0.208 79 L C 2.538 179.396 176.870 -0.021 0.000 1.085 79 L CA 1.127 55.931 54.840 -0.060 0.000 0.755 79 L CB -0.360 41.603 42.059 -0.160 0.000 0.904 79 L HN 0.183 nan 8.230 nan 0.000 0.435 80 S N 0.227 115.910 115.700 -0.029 0.000 2.419 80 S HA -0.112 4.339 4.470 -0.032 0.000 0.233 80 S C 1.993 176.570 174.600 -0.039 0.000 1.016 80 S CA 1.153 59.339 58.200 -0.023 0.000 0.974 80 S CB -0.136 63.051 63.200 -0.021 0.000 0.786 80 S HN 0.496 nan 8.310 nan 0.000 0.492 81 A N 0.993 123.792 122.820 -0.035 0.000 2.208 81 A HA 0.279 4.580 4.320 -0.032 0.000 0.209 81 A C 1.827 179.362 177.584 -0.082 0.000 1.161 81 A CA 0.172 52.147 52.037 -0.103 0.000 0.782 81 A CB -0.504 18.398 19.000 -0.164 0.000 0.816 81 A HN 0.448 nan 8.150 nan 0.000 0.477 82 L N -0.017 121.203 121.223 -0.005 0.000 2.129 82 L HA -0.247 4.074 4.340 -0.032 0.000 0.212 82 L C 2.497 179.384 176.870 0.027 0.000 1.087 82 L CA 1.700 56.553 54.840 0.021 0.000 0.757 82 L CB -0.748 41.341 42.059 0.051 0.000 0.896 82 L HN 0.628 nan 8.230 nan 0.000 0.434 83 N N 0.467 119.205 118.700 0.063 0.000 2.188 83 N HA -0.144 4.577 4.740 -0.032 0.000 0.184 83 N C 1.868 177.488 175.510 0.184 0.000 1.018 83 N CA 1.221 54.396 53.050 0.208 0.000 0.858 83 N CB 0.050 38.705 38.487 0.279 0.000 0.989 83 N HN 0.337 nan 8.380 nan 0.000 0.426 84 G N 1.913 110.720 108.800 0.010 0.000 2.414 84 G HA2 -0.147 3.794 3.960 -0.032 0.000 0.215 84 G HA3 -0.147 3.794 3.960 -0.032 0.000 0.215 84 G C 1.586 176.478 174.900 -0.013 0.000 1.188 84 G CA 0.389 45.521 45.100 0.054 0.000 0.783 84 G HN 0.202 nan 8.290 nan 0.000 0.537 85 I N 2.168 122.693 120.570 -0.076 0.000 2.151 85 I HA -0.219 3.931 4.170 -0.032 0.000 0.243 85 I C 3.304 179.333 176.117 -0.148 0.000 1.080 85 I CA 1.409 62.664 61.300 -0.076 0.000 1.339 85 I CB -1.471 36.511 38.000 -0.031 0.000 1.039 85 I HN 0.269 nan 8.210 nan 0.000 0.409 86 A N 0.954 123.624 122.820 -0.250 0.000 1.908 86 A HA -0.134 4.167 4.320 -0.032 0.000 0.218 86 A C 2.517 179.495 177.584 -1.011 0.000 1.181 86 A CA 2.023 53.745 52.037 -0.526 0.000 0.627 86 A CB -1.362 17.356 19.000 -0.469 0.000 0.818 86 A HN 0.463 nan 8.150 nan 0.000 0.445 87 G N -1.179 106.902 108.800 -1.200 0.000 2.422 87 G HA2 -0.076 3.865 3.960 -0.032 0.000 0.218 87 G HA3 -0.076 3.865 3.960 -0.032 0.000 0.218 87 G C 1.733 176.384 174.900 -0.415 0.000 1.140 87 G CA 1.213 45.618 45.100 -1.158 0.000 0.775 87 G HN 0.498 nan 8.290 nan 0.000 0.545 88 S N -0.748 114.819 115.700 -0.223 0.000 2.436 88 S HA -0.009 4.442 4.470 -0.032 0.000 0.228 88 S C 1.824 176.371 174.600 -0.088 0.000 1.014 88 S CA 0.479 58.632 58.200 -0.079 0.000 0.950 88 S CB -0.257 62.938 63.200 -0.009 0.000 0.784 88 S HN 0.520 nan 8.310 nan 0.000 0.504 89 Y N 2.449 122.607 120.300 -0.236 0.000 2.153 89 Y HA -0.011 4.523 4.550 -0.026 0.000 0.289 89 Y C 2.459 178.240 175.900 -0.199 0.000 1.127 89 Y CA 1.065 59.037 58.100 -0.214 0.000 1.131 89 Y CB -0.798 37.535 38.460 -0.212 0.000 0.995 89 Y HN 0.206 nan 8.280 nan 0.000 0.505 90 A N 0.204 122.970 122.820 -0.090 0.000 1.908 90 A HA -0.216 4.085 4.320 -0.032 0.000 0.218 90 A C 1.867 179.498 177.584 0.077 0.000 1.181 90 A CA 2.128 54.163 52.037 -0.002 0.000 0.627 90 A CB -0.599 18.418 19.000 0.028 0.000 0.818 90 A HN 0.656 nan 8.150 nan 0.000 0.445 91 E N -1.610 118.607 120.200 0.029 0.000 2.476 91 E HA 0.138 4.469 4.350 -0.032 0.000 0.196 91 E C -0.821 175.897 176.600 0.196 0.000 1.029 91 E CA -0.167 56.300 56.400 0.112 0.000 0.896 91 E CB 0.115 29.830 29.700 0.024 0.000 1.012 91 E HN 0.708 nan 8.360 nan 0.000 0.475 92 H N -1.167 117.828 119.070 -0.125 0.000 2.827 92 H HA -0.122 4.416 4.556 -0.030 0.000 0.330 92 H C -1.062 174.185 175.328 -0.136 0.000 1.236 92 H CA 0.188 56.156 56.048 -0.135 0.000 1.165 92 H CB -2.155 27.559 29.762 -0.081 0.000 1.532 92 H HN -0.075 nan 8.280 nan 0.000 0.434 93 V N -0.064 119.839 119.914 -0.019 0.000 2.417 93 V HA 0.545 4.646 4.120 -0.032 0.000 0.291 93 V C 1.283 177.373 176.094 -0.007 0.000 1.024 93 V CA -0.183 62.114 62.300 -0.004 0.000 0.861 93 V CB 2.188 34.036 31.823 0.042 0.000 0.985 93 V HN 0.692 nan 8.190 nan 0.000 0.436 94 G N 4.366 113.163 108.800 -0.004 0.000 2.605 94 G HA2 0.443 4.384 3.960 -0.032 0.000 0.301 94 G HA3 0.443 4.384 3.960 -0.032 0.000 0.301 94 G C -0.454 174.493 174.900 0.080 0.000 0.881 94 G CA -0.026 45.091 45.100 0.028 0.000 1.553 94 G HN 0.520 nan 8.290 nan 0.000 0.483 95 V N 3.882 123.845 119.914 0.082 0.000 2.459 95 V HA 0.357 4.458 4.120 -0.032 0.000 0.295 95 V C -0.203 175.960 176.094 0.115 0.000 1.029 95 V CA -1.046 61.313 62.300 0.099 0.000 0.874 95 V CB 1.702 33.569 31.823 0.072 0.000 0.985 95 V HN 0.565 nan 8.190 nan 0.000 0.438 96 L N 4.725 126.021 121.223 0.121 0.000 2.264 96 L HA 0.454 4.775 4.340 -0.032 0.000 0.289 96 L C -0.173 176.791 176.870 0.156 0.000 1.044 96 L CA 0.154 55.065 54.840 0.119 0.000 0.807 96 L CB 0.512 42.620 42.059 0.081 0.000 1.192 96 L HN 0.764 nan 8.230 nan 0.000 0.425 97 H N 4.675 123.765 119.070 0.032 0.000 2.597 97 H HA 0.462 4.998 4.556 -0.032 0.000 0.303 97 H C -1.227 174.036 175.328 -0.108 0.000 1.057 97 H CA -0.901 55.151 56.048 0.007 0.000 1.261 97 H CB 1.182 30.982 29.762 0.063 0.000 1.397 97 H HN 0.483 nan 8.280 nan 0.000 0.461 98 V N 7.050 126.977 119.914 0.021 0.000 2.370 98 V HA 0.143 4.244 4.120 -0.032 0.000 0.279 98 V C -0.272 175.693 176.094 -0.215 0.000 1.029 98 V CA -0.543 61.666 62.300 -0.152 0.000 0.870 98 V CB 1.379 33.171 31.823 -0.052 0.000 0.984 98 V HN 0.496 nan 8.190 nan 0.000 0.451 99 V N 4.048 123.726 119.914 -0.393 0.000 2.459 99 V HA 0.614 4.715 4.120 -0.032 0.000 0.295 99 V C 0.738 176.788 176.094 -0.073 0.000 1.029 99 V CA -0.635 61.523 62.300 -0.236 0.000 0.874 99 V CB 1.732 33.341 31.823 -0.356 0.000 0.985 99 V HN 0.899 nan 8.190 nan 0.000 0.438 100 G N 3.339 112.170 108.800 0.052 0.000 2.351 100 G HA2 0.523 4.464 3.960 -0.032 0.000 0.287 100 G HA3 0.523 4.464 3.960 -0.032 0.000 0.287 100 G C -0.270 174.741 174.900 0.186 0.000 1.159 100 G CA -0.066 45.100 45.100 0.110 0.000 0.929 100 G HN 0.991 nan 8.290 nan 0.000 0.435 101 V N 0.901 120.846 119.914 0.051 0.000 3.019 101 V HA 0.824 4.925 4.120 -0.032 0.000 0.317 101 V C -2.603 173.187 176.094 -0.507 0.000 1.094 101 V CA -3.020 59.156 62.300 -0.207 0.000 1.000 101 V CB 2.221 33.977 31.823 -0.112 0.000 1.060 101 V HN 0.473 nan 8.190 nan 0.000 0.443 102 P HA 0.187 nan 4.420 nan 0.000 0.267 102 P C -0.123 176.878 177.300 -0.499 0.000 1.200 102 P CA 0.261 62.723 63.100 -1.063 0.000 0.772 102 P CB 0.216 31.149 31.700 -1.277 0.000 0.855 103 S N 2.107 117.645 115.700 -0.269 0.000 2.558 103 S HA 0.019 4.470 4.470 -0.032 0.000 0.287 103 S C 0.754 175.216 174.600 -0.230 0.000 1.321 103 S CA -0.352 57.752 58.200 -0.160 0.000 1.048 103 S CB -0.398 62.760 63.200 -0.070 0.000 0.844 103 S HN 0.316 nan 8.310 nan 0.000 0.512 104 I N 3.465 123.933 120.570 -0.170 0.000 3.022 104 I HA -0.052 4.099 4.170 -0.032 0.000 0.290 104 I C 0.596 176.604 176.117 -0.182 0.000 1.212 104 I CA 0.979 62.178 61.300 -0.168 0.000 1.377 104 I CB -1.268 36.669 38.000 -0.106 0.000 1.417 104 I HN 0.919 nan 8.210 nan 0.000 0.540 115 H N 1.012 120.213 119.070 0.217 0.000 2.999 115 H HA -0.134 4.403 4.556 -0.033 0.000 0.262 115 H C -0.142 175.377 175.328 0.317 0.000 1.240 115 H CA 1.248 57.442 56.048 0.243 0.000 1.115 115 H CB -1.864 28.150 29.762 0.421 0.000 1.274 115 H HN 0.657 nan 8.280 nan 0.000 0.358 116 T N -2.776 111.981 114.554 0.338 0.000 2.930 116 T HA 0.532 4.863 4.350 -0.032 0.000 0.290 116 T C 0.934 175.725 174.700 0.150 0.000 1.052 116 T CA -1.112 61.158 62.100 0.284 0.000 1.017 116 T CB 1.919 70.813 68.868 0.043 0.000 1.137 116 T HN -0.051 nan 8.240 nan 0.000 0.511 117 L N 1.553 122.826 121.223 0.083 0.000 2.675 117 L HA 0.320 4.641 4.340 -0.032 0.000 0.239 117 L C 2.135 178.999 176.870 -0.010 0.000 1.151 117 L CA 1.340 56.197 54.840 0.028 0.000 0.905 117 L CB -1.428 40.606 42.059 -0.041 0.000 1.057 117 L HN 1.269 nan 8.230 nan 0.000 0.435 118 G N 0.548 109.340 108.800 -0.013 0.000 2.168 118 G HA2 -0.372 3.569 3.960 -0.032 0.000 0.263 118 G HA3 -0.372 3.569 3.960 -0.032 0.000 0.263 118 G C 0.708 175.592 174.900 -0.027 0.000 0.977 118 G CA 0.680 45.774 45.100 -0.010 0.000 0.659 118 G HN 0.567 nan 8.290 nan 0.000 0.533 119 N N -0.294 118.368 118.700 -0.063 0.000 2.235 119 N HA 0.430 5.151 4.740 -0.032 0.000 0.231 119 N C 1.419 176.887 175.510 -0.069 0.000 1.177 119 N CA 0.383 53.399 53.050 -0.057 0.000 0.874 119 N CB -0.007 38.443 38.487 -0.061 0.000 1.097 119 N HN 1.468 nan 8.380 nan 0.000 0.518 120 G N 0.243 108.983 108.800 -0.101 0.000 2.187 120 G HA2 -0.300 3.641 3.960 -0.032 0.000 0.261 120 G HA3 -0.300 3.641 3.960 -0.032 0.000 0.261 120 G C -0.654 174.184 174.900 -0.104 0.000 1.000 120 G CA 0.480 45.539 45.100 -0.069 0.000 0.718 120 G HN 0.587 nan 8.290 nan 0.000 0.519 121 D N -0.717 119.543 120.400 -0.234 0.000 2.396 121 D HA 0.524 5.145 4.640 -0.032 0.000 0.225 121 D C 0.700 176.822 176.300 -0.298 0.000 1.121 121 D CA -0.858 53.035 54.000 -0.179 0.000 0.853 121 D CB 0.051 40.748 40.800 -0.172 0.000 1.043 121 D HN 0.030 nan 8.370 nan 0.000 0.500 122 F N 1.044 121.013 119.950 0.032 0.000 2.727 122 F HA 0.051 4.557 4.527 -0.034 0.000 0.302 122 F C 2.312 178.211 175.800 0.165 0.000 1.097 122 F CA 0.268 58.357 58.000 0.149 0.000 1.330 122 F CB 0.537 39.571 39.000 0.057 0.000 1.084 122 F HN 0.386 nan 8.300 nan 0.000 0.578 123 T N -4.520 110.127 114.554 0.155 0.000 3.023 123 T HA 0.056 4.387 4.350 -0.032 0.000 0.253 123 T C 1.892 176.570 174.700 -0.036 0.000 1.038 123 T CA 0.675 62.853 62.100 0.129 0.000 0.962 123 T CB -0.377 68.534 68.868 0.070 0.000 1.018 123 T HN 0.035 nan 8.240 nan 0.000 0.521 124 V N 1.137 120.901 119.914 -0.251 0.000 2.295 124 V HA -0.063 4.038 4.120 -0.032 0.000 0.246 124 V C 2.072 177.988 176.094 -0.296 0.000 1.049 124 V CA 1.920 63.998 62.300 -0.370 0.000 1.024 124 V CB -0.878 30.627 31.823 -0.530 0.000 0.648 124 V HN 0.523 nan 8.190 nan 0.000 0.447 125 F N 0.276 120.202 119.950 -0.040 0.000 2.202 125 F HA -0.116 4.395 4.527 -0.027 0.000 0.301 125 F C 2.419 178.179 175.800 -0.066 0.000 1.082 125 F CA 1.751 59.707 58.000 -0.074 0.000 1.313 125 F CB -1.508 37.390 39.000 -0.170 0.000 1.024 125 F HN 0.383 nan 8.300 nan 0.000 0.495 126 H N 1.067 120.119 119.070 -0.030 0.000 2.319 126 H HA -0.074 4.473 4.556 -0.015 0.000 0.299 126 H C 2.291 177.446 175.328 -0.289 0.000 1.092 126 H CA 1.877 57.771 56.048 -0.257 0.000 1.302 126 H CB -0.182 29.578 29.762 -0.004 0.000 1.373 126 H HN 0.122 nan 8.280 nan 0.000 0.497 127 R N -0.675 119.697 120.500 -0.214 0.000 2.081 127 R HA -0.096 4.225 4.340 -0.032 0.000 0.235 127 R C 2.697 178.901 176.300 -0.160 0.000 1.131 127 R CA 1.605 57.561 56.100 -0.240 0.000 0.960 127 R CB -0.195 29.998 30.300 -0.178 0.000 0.856 127 R HN 0.382 nan 8.270 nan 0.000 0.436 128 M N -0.072 119.468 119.600 -0.100 0.000 2.086 128 M HA -0.159 4.302 4.480 -0.032 0.000 0.261 128 M C 2.362 178.607 176.300 -0.091 0.000 1.067 128 M CA 1.588 56.852 55.300 -0.059 0.000 1.116 128 M CB -0.214 32.395 32.600 0.015 0.000 1.348 128 M HN 0.035 nan 8.290 nan 0.000 0.407 129 S N 0.325 115.940 115.700 -0.142 0.000 2.382 129 S HA -0.078 4.373 4.470 -0.032 0.000 0.228 129 S C 2.039 176.540 174.600 -0.165 0.000 1.027 129 S CA 1.201 59.297 58.200 -0.174 0.000 0.991 129 S CB -0.340 62.620 63.200 -0.400 0.000 0.823 129 S HN 0.548 nan 8.310 nan 0.000 0.469 130 A N 2.482 125.190 122.820 -0.186 0.000 1.978 130 A HA -0.160 4.141 4.320 -0.032 0.000 0.220 130 A C 1.808 179.303 177.584 -0.148 0.000 1.170 130 A CA 1.447 53.403 52.037 -0.136 0.000 0.636 130 A CB -0.621 18.278 19.000 -0.168 0.000 0.810 130 A HN 0.525 nan 8.150 nan 0.000 0.448 131 N N -0.043 118.559 118.700 -0.164 0.000 2.453 131 N HA -0.069 4.652 4.740 -0.032 0.000 0.183 131 N C 1.097 176.392 175.510 -0.357 0.000 1.041 131 N CA 1.606 54.538 53.050 -0.197 0.000 0.900 131 N CB -0.111 38.291 38.487 -0.141 0.000 0.961 131 N HN 0.828 nan 8.380 nan 0.000 0.443 132 I N -3.012 117.333 120.570 -0.375 0.000 3.658 132 I HA 0.350 4.501 4.170 -0.032 0.000 0.328 132 I C -0.612 175.258 176.117 -0.412 0.000 1.567 132 I CA -0.430 60.502 61.300 -0.612 0.000 1.078 132 I CB 0.470 38.273 38.000 -0.330 0.000 1.267 132 I HN -0.288 nan 8.210 nan 0.000 0.495 133 S N 0.731 116.283 115.700 -0.246 0.000 2.566 133 S HA 0.331 4.782 4.470 -0.032 0.000 0.298 133 S C 0.577 175.265 174.600 0.147 0.000 1.083 133 S CA -0.427 57.802 58.200 0.049 0.000 0.978 133 S CB 2.668 65.934 63.200 0.109 0.000 1.073 133 S HN 0.345 nan 8.310 nan 0.000 0.491 134 E N 1.343 121.692 120.200 0.248 0.000 2.112 134 E HA 0.067 4.398 4.350 -0.032 0.000 0.190 134 E C 0.514 177.198 176.600 0.140 0.000 0.979 134 E CA 1.175 57.706 56.400 0.218 0.000 0.814 134 E CB 0.270 30.060 29.700 0.151 0.000 0.762 134 E HN 0.567 nan 8.360 nan 0.000 0.460 135 T N -1.798 112.839 114.554 0.138 0.000 2.802 135 T HA 0.491 4.822 4.350 -0.032 0.000 0.311 135 T C -1.460 173.339 174.700 0.165 0.000 1.405 135 T CA -0.469 61.707 62.100 0.126 0.000 1.016 135 T CB 1.585 70.518 68.868 0.108 0.000 1.352 135 T HN -0.055 nan 8.240 nan 0.000 0.498 136 T N 1.119 115.784 114.554 0.185 0.000 2.883 136 T HA 0.844 5.174 4.350 -0.032 0.000 0.301 136 T C -1.649 173.193 174.700 0.235 0.000 1.158 136 T CA -0.248 62.025 62.100 0.289 0.000 1.007 136 T CB 1.548 70.615 68.868 0.331 0.000 1.186 136 T HN 1.008 nan 8.240 nan 0.000 0.499 137 A N 2.329 125.274 122.820 0.207 0.000 2.517 137 A HA 0.768 5.069 4.320 -0.032 0.000 0.297 137 A C -1.356 176.253 177.584 0.042 0.000 1.050 137 A CA -0.675 51.432 52.037 0.117 0.000 0.694 137 A CB 1.644 20.681 19.000 0.063 0.000 1.277 137 A HN 0.704 nan 8.150 nan 0.000 0.400 138 M N 3.628 123.265 119.600 0.062 0.000 2.078 138 M HA 0.535 4.996 4.480 -0.032 0.000 0.320 138 M C -1.348 174.959 176.300 0.011 0.000 0.969 138 M CA -0.501 54.806 55.300 0.011 0.000 0.929 138 M CB 0.274 32.915 32.600 0.070 0.000 1.504 138 M HN 0.554 nan 8.290 nan 0.000 0.419 139 I N 5.218 125.775 120.570 -0.022 0.000 2.505 139 I HA 0.110 4.261 4.170 -0.032 0.000 0.287 139 I C 0.826 176.927 176.117 -0.026 0.000 1.104 139 I CA 0.193 61.478 61.300 -0.024 0.000 1.387 139 I CB 0.628 38.606 38.000 -0.037 0.000 1.404 139 I HN 0.900 nan 8.210 nan 0.000 0.528 140 T N 0.243 114.785 114.554 -0.019 0.000 2.978 140 T HA 0.136 4.467 4.350 -0.032 0.000 0.248 140 T C 0.410 175.092 174.700 -0.029 0.000 1.018 140 T CA -0.119 61.967 62.100 -0.023 0.000 1.026 140 T CB 0.568 69.430 68.868 -0.010 0.000 1.032 140 T HN 0.467 nan 8.240 nan 0.000 0.485 141 D N 0.881 121.264 120.400 -0.029 0.000 2.757 141 D HA 0.318 4.939 4.640 -0.032 0.000 0.249 141 D C 0.654 176.928 176.300 -0.044 0.000 1.168 141 D CA -0.538 53.442 54.000 -0.033 0.000 0.870 141 D CB 2.098 42.883 40.800 -0.026 0.000 1.411 141 D HN 0.130 nan 8.370 nan 0.000 0.525 142 I N 1.797 122.337 120.570 -0.050 0.000 2.916 142 I HA 0.007 4.158 4.170 -0.032 0.000 0.267 142 I C 1.948 178.019 176.117 -0.077 0.000 1.263 142 I CA 0.617 61.877 61.300 -0.068 0.000 1.471 142 I CB -1.187 36.772 38.000 -0.069 0.000 1.089 142 I HN 0.295 nan 8.210 nan 0.000 0.468 143 A N 1.368 124.152 122.820 -0.059 0.000 1.897 143 A HA -0.105 4.196 4.320 -0.032 0.000 0.215 143 A C 2.388 179.936 177.584 -0.059 0.000 1.181 143 A CA 2.162 54.165 52.037 -0.056 0.000 0.620 143 A CB -1.212 17.765 19.000 -0.039 0.000 0.821 143 A HN 0.574 nan 8.150 nan 0.000 0.443 144 T N -3.202 111.324 114.554 -0.048 0.000 3.037 144 T HA 0.414 4.745 4.350 -0.032 0.000 0.251 144 T C 1.906 176.579 174.700 -0.046 0.000 1.079 144 T CA 0.962 63.039 62.100 -0.037 0.000 1.067 144 T CB -0.160 68.697 68.868 -0.019 0.000 0.948 144 T HN 0.510 nan 8.240 nan 0.000 0.496 145 A N 3.356 126.138 122.820 -0.063 0.000 1.896 145 A HA -0.092 4.209 4.320 -0.032 0.000 0.220 145 A C 0.260 177.794 177.584 -0.084 0.000 1.206 145 A CA 1.948 53.943 52.037 -0.070 0.000 0.647 145 A CB -1.824 17.127 19.000 -0.081 0.000 0.828 145 A HN 0.469 nan 8.150 nan 0.000 0.455 146 P HA -0.107 nan 4.420 nan 0.000 0.215 146 P C 1.743 179.054 177.300 0.018 0.000 1.157 146 P CA 1.998 64.935 63.100 -0.272 0.000 0.868 146 P CB -0.153 31.235 31.700 -0.519 0.000 0.788 147 A N -0.266 122.550 122.820 -0.007 0.000 1.969 147 A HA -0.185 4.116 4.320 -0.032 0.000 0.218 147 A C 2.181 179.794 177.584 0.047 0.000 1.169 147 A CA 1.386 53.444 52.037 0.036 0.000 0.635 147 A CB -0.972 18.035 19.000 0.012 0.000 0.810 147 A HN 0.066 nan 8.150 nan 0.000 0.445 148 E N 0.074 120.293 120.200 0.031 0.000 2.072 148 E HA -0.118 4.213 4.350 -0.032 0.000 0.191 148 E C 2.020 178.650 176.600 0.051 0.000 0.985 148 E CA 0.953 57.375 56.400 0.036 0.000 0.801 148 E CB -0.369 29.343 29.700 0.021 0.000 0.750 148 E HN 0.715 nan 8.360 nan 0.000 0.452 149 I N 1.662 122.276 120.570 0.072 0.000 2.163 149 I HA -0.289 3.861 4.170 -0.032 0.000 0.243 149 I C 1.879 178.041 176.117 0.074 0.000 1.085 149 I CA 1.318 62.666 61.300 0.080 0.000 1.347 149 I CB -0.364 37.741 38.000 0.175 0.000 1.044 149 I HN -0.022 nan 8.210 nan 0.000 0.408 150 D N 0.411 120.878 120.400 0.112 0.000 2.133 150 D HA -0.217 4.404 4.640 -0.032 0.000 0.195 150 D C 2.183 178.520 176.300 0.061 0.000 0.997 150 D CA 1.128 55.175 54.000 0.077 0.000 0.840 150 D CB -0.333 40.526 40.800 0.099 0.000 0.947 150 D HN 0.242 nan 8.370 nan 0.000 0.452 151 R N 0.097 120.636 120.500 0.065 0.000 2.070 151 R HA -0.107 4.214 4.340 -0.032 0.000 0.233 151 R C 2.229 178.570 176.300 0.069 0.000 1.137 151 R CA 1.463 57.602 56.100 0.064 0.000 0.945 151 R CB -0.538 29.798 30.300 0.060 0.000 0.845 151 R HN 0.200 nan 8.270 nan 0.000 0.430 152 C N 0.413 119.750 119.300 0.062 0.000 2.432 152 C HA -0.069 4.372 4.460 -0.032 0.000 0.277 152 C C 2.593 177.625 174.990 0.070 0.000 1.249 152 C CA 0.618 59.675 59.018 0.065 0.000 1.725 152 C CB -0.807 26.960 27.740 0.046 0.000 2.028 152 C HN 0.525 nan 8.230 nan 0.000 0.477 153 I N 0.397 121.000 120.570 0.054 0.000 2.226 153 I HA -0.202 3.949 4.170 -0.032 0.000 0.245 153 I C 2.849 179.023 176.117 0.095 0.000 1.100 153 I CA 1.438 62.772 61.300 0.057 0.000 1.374 153 I CB -0.684 37.322 38.000 0.010 0.000 1.057 153 I HN 0.348 nan 8.210 nan 0.000 0.413 154 R N 0.883 121.435 120.500 0.087 0.000 2.073 154 R HA -0.151 4.170 4.340 -0.032 0.000 0.234 154 R C 2.267 178.662 176.300 0.159 0.000 1.134 154 R CA 2.151 58.323 56.100 0.120 0.000 0.952 154 R CB -0.369 29.988 30.300 0.094 0.000 0.850 154 R HN 0.254 nan 8.270 nan 0.000 0.433 155 T N 0.308 114.936 114.554 0.124 0.000 2.746 155 T HA -0.109 4.222 4.350 -0.032 0.000 0.267 155 T C 1.738 176.506 174.700 0.115 0.000 1.039 155 T CA 1.942 64.110 62.100 0.115 0.000 1.142 155 T CB -0.377 68.550 68.868 0.098 0.000 0.866 155 T HN 0.396 nan 8.240 nan 0.000 0.444 156 T N 0.985 115.612 114.554 0.123 0.000 2.684 156 T HA -0.123 4.208 4.350 -0.032 0.000 0.267 156 T C 1.591 176.363 174.700 0.120 0.000 1.036 156 T CA 1.318 63.487 62.100 0.115 0.000 1.148 156 T CB -0.515 68.430 68.868 0.128 0.000 0.863 156 T HN 0.427 nan 8.240 nan 0.000 0.436 157 Y N 2.273 122.603 120.300 0.050 0.000 2.070 157 Y HA -0.189 4.342 4.550 -0.032 0.000 0.279 157 Y C 2.581 178.513 175.900 0.054 0.000 1.134 157 Y CA 1.615 59.741 58.100 0.044 0.000 1.113 157 Y CB -0.766 37.718 38.460 0.041 0.000 0.981 157 Y HN 0.079 nan 8.280 nan 0.000 0.487 158 V N -1.539 118.417 119.914 0.068 0.000 2.427 158 V HA -0.160 3.941 4.120 -0.032 0.000 0.248 158 V C 1.899 178.015 176.094 0.037 0.000 1.051 158 V CA 2.523 64.837 62.300 0.024 0.000 1.048 158 V CB -1.586 30.327 31.823 0.150 0.000 0.666 158 V HN 0.618 nan 8.190 nan 0.000 0.456 159 T N -3.739 110.851 114.554 0.060 0.000 3.100 159 T HA 0.087 4.418 4.350 -0.032 0.000 0.253 159 T C 0.907 175.667 174.700 0.100 0.000 1.118 159 T CA 0.363 62.526 62.100 0.105 0.000 1.058 159 T CB -0.305 68.601 68.868 0.063 0.000 0.953 159 T HN 0.547 nan 8.240 nan 0.000 0.515 160 Q N 0.740 120.521 119.800 -0.033 0.000 2.453 160 Q HA -0.143 4.178 4.340 -0.032 0.000 0.330 160 Q C -0.497 175.448 176.000 -0.093 0.000 1.417 160 Q CA 0.841 56.571 55.803 -0.121 0.000 0.902 160 Q CB -1.330 27.203 28.738 -0.342 0.000 1.154 160 Q HN 0.719 nan 8.270 nan 0.000 0.395 161 R N -0.369 120.093 120.500 -0.064 0.000 2.707 161 R HA 0.493 4.814 4.340 -0.032 0.000 0.272 161 R C -2.549 173.779 176.300 0.047 0.000 1.011 161 R CA -2.010 54.045 56.100 -0.076 0.000 0.893 161 R CB 1.879 32.067 30.300 -0.187 0.000 1.233 161 R HN -0.101 nan 8.270 nan 0.000 0.464 162 P HA 0.105 nan 4.420 nan 0.000 0.269 162 P C -0.975 176.428 177.300 0.172 0.000 1.215 162 P CA -0.239 62.947 63.100 0.142 0.000 0.780 162 P CB 0.699 32.489 31.700 0.151 0.000 0.898 163 V N 2.694 122.712 119.914 0.173 0.000 2.841 163 V HA 0.315 4.416 4.120 -0.032 0.000 0.310 163 V C -1.119 175.103 176.094 0.212 0.000 1.090 163 V CA -0.655 61.752 62.300 0.179 0.000 0.930 163 V CB 2.051 33.953 31.823 0.133 0.000 1.014 163 V HN 0.406 nan 8.190 nan 0.000 0.425 164 Y N 4.840 125.190 120.300 0.083 0.000 2.331 164 Y HA 0.765 5.302 4.550 -0.022 0.000 0.338 164 Y C -0.767 175.124 175.900 -0.015 0.000 0.992 164 Y CA -0.667 57.454 58.100 0.035 0.000 1.121 164 Y CB 1.663 40.151 38.460 0.047 0.000 1.184 164 Y HN 0.588 nan 8.280 nan 0.000 0.469 165 L N 6.431 127.387 121.223 -0.445 0.000 2.406 165 L HA 0.732 5.053 4.340 -0.032 0.000 0.270 165 L C -0.574 175.994 176.870 -0.502 0.000 0.982 165 L CA -0.208 54.441 54.840 -0.318 0.000 0.843 165 L CB 1.500 43.467 42.059 -0.153 0.000 1.225 165 L HN 0.743 nan 8.230 nan 0.000 0.412 166 G N 4.420 112.991 108.800 -0.382 0.000 2.338 166 G HA2 0.526 4.467 3.960 -0.032 0.000 0.298 166 G HA3 0.526 4.467 3.960 -0.032 0.000 0.298 166 G C -1.418 173.393 174.900 -0.149 0.000 1.140 166 G CA -0.370 44.562 45.100 -0.281 0.000 0.860 166 G HN 0.504 nan 8.290 nan 0.000 0.470 167 L N 4.617 125.770 121.223 -0.116 0.000 2.401 167 L HA 0.442 4.763 4.340 -0.032 0.000 0.263 167 L C -2.297 174.541 176.870 -0.054 0.000 1.004 167 L CA -2.260 52.534 54.840 -0.076 0.000 0.881 167 L CB 2.004 44.019 42.059 -0.074 0.000 1.219 167 L HN 0.248 nan 8.230 nan 0.000 0.441 168 P HA 0.067 nan 4.420 nan 0.000 0.264 168 P C 0.394 177.672 177.300 -0.037 0.000 1.183 168 P CA 0.231 63.283 63.100 -0.081 0.000 0.763 168 P CB 0.907 32.549 31.700 -0.096 0.000 0.807 169 A N 4.632 127.450 122.820 -0.003 0.000 1.986 169 A HA -0.256 4.045 4.320 -0.032 0.000 0.220 169 A C 1.908 179.502 177.584 0.017 0.000 1.171 169 A CA 2.024 54.092 52.037 0.050 0.000 0.640 169 A CB -1.145 17.942 19.000 0.145 0.000 0.811 169 A HN 0.696 nan 8.150 nan 0.000 0.451 170 N N 0.906 119.600 118.700 -0.009 0.000 2.142 170 N HA -0.136 4.585 4.740 -0.032 0.000 0.186 170 N C 1.593 177.092 175.510 -0.018 0.000 1.023 170 N CA 1.732 54.773 53.050 -0.015 0.000 0.852 170 N CB -0.907 37.562 38.487 -0.030 0.000 0.998 170 N HN 0.506 nan 8.380 nan 0.000 0.424 171 L N 0.659 121.866 121.223 -0.026 0.000 2.187 171 L HA -0.067 4.254 4.340 -0.032 0.000 0.213 171 L C 2.385 179.243 176.870 -0.021 0.000 1.100 171 L CA 0.697 55.520 54.840 -0.029 0.000 0.765 171 L CB -0.570 41.466 42.059 -0.038 0.000 0.904 171 L HN 0.008 nan 8.230 nan 0.000 0.437 172 V N -0.142 119.766 119.914 -0.011 0.000 2.392 172 V HA -0.291 3.810 4.120 -0.032 0.000 0.249 172 V C 1.620 177.718 176.094 0.008 0.000 1.059 172 V CA 1.873 64.173 62.300 0.001 0.000 1.051 172 V CB -0.431 31.399 31.823 0.012 0.000 0.658 172 V HN 0.472 nan 8.190 nan 0.000 0.455 173 D N -0.616 119.786 120.400 0.003 0.000 2.340 173 D HA 0.164 4.785 4.640 -0.032 0.000 0.217 173 D C 0.300 176.597 176.300 -0.004 0.000 1.081 173 D CA -0.050 53.953 54.000 0.004 0.000 0.842 173 D CB 0.479 41.281 40.800 0.004 0.000 0.934 173 D HN 0.242 nan 8.370 nan 0.000 0.511 174 L N 1.140 122.355 121.223 -0.013 0.000 2.395 174 L HA 0.154 4.475 4.340 -0.032 0.000 0.269 174 L C 0.438 177.293 176.870 -0.025 0.000 1.133 174 L CA -0.033 54.793 54.840 -0.022 0.000 0.812 174 L CB 0.643 42.684 42.059 -0.031 0.000 1.125 174 L HN -0.223 nan 8.230 nan 0.000 0.452 175 N N 0.318 119.001 118.700 -0.028 0.000 2.508 175 N HA 0.698 5.419 4.740 -0.032 0.000 0.285 175 N C -1.089 174.388 175.510 -0.056 0.000 1.144 175 N CA -0.431 52.600 53.050 -0.030 0.000 0.978 175 N CB 1.603 40.079 38.487 -0.019 0.000 1.180 175 N HN 0.259 nan 8.380 nan 0.000 0.484 176 V N 1.469 121.346 119.914 -0.062 0.000 3.130 176 V HA 0.512 4.613 4.120 -0.032 0.000 0.310 176 V C -2.425 173.632 176.094 -0.063 0.000 1.158 176 V CA -1.920 60.317 62.300 -0.106 0.000 1.029 176 V CB 2.449 34.143 31.823 -0.214 0.000 1.057 176 V HN 0.584 nan 8.190 nan 0.000 0.436 177 P HA 0.207 nan 4.420 nan 0.000 0.270 177 P C 0.284 177.589 177.300 0.008 0.000 1.242 177 P CA 0.080 63.164 63.100 -0.025 0.000 0.768 177 P CB 0.922 32.605 31.700 -0.029 0.000 0.820 178 A N 6.015 128.853 122.820 0.030 0.000 1.978 178 A HA -0.238 4.062 4.320 -0.032 0.000 0.220 178 A C 1.902 179.528 177.584 0.070 0.000 1.170 178 A CA 1.506 53.581 52.037 0.063 0.000 0.636 178 A CB -0.942 18.087 19.000 0.047 0.000 0.810 178 A HN 0.595 nan 8.150 nan 0.000 0.448 179 K N 0.126 120.553 120.400 0.046 0.000 2.127 179 K HA -0.164 4.137 4.320 -0.032 0.000 0.208 179 K C 1.682 178.316 176.600 0.058 0.000 1.047 179 K CA 1.732 58.044 56.287 0.040 0.000 0.927 179 K CB -0.819 31.695 32.500 0.024 0.000 0.716 179 K HN 0.484 nan 8.250 nan 0.000 0.450 180 L N 1.061 122.331 121.223 0.079 0.000 2.187 180 L HA -0.114 4.207 4.340 -0.032 0.000 0.213 180 L C 2.407 179.373 176.870 0.160 0.000 1.100 180 L CA 0.837 55.748 54.840 0.118 0.000 0.765 180 L CB -0.456 41.668 42.059 0.109 0.000 0.904 180 L HN 0.195 nan 8.230 nan 0.000 0.437 181 L N -0.807 120.507 121.223 0.151 0.000 2.478 181 L HA -0.137 4.184 4.340 -0.032 0.000 0.223 181 L C 2.213 179.101 176.870 0.031 0.000 1.140 181 L CA 0.544 55.428 54.840 0.073 0.000 0.842 181 L CB -0.237 41.849 42.059 0.044 0.000 0.953 181 L HN 0.356 nan 8.230 nan 0.000 0.452 182 Q N -0.998 118.825 119.800 0.038 0.000 2.378 182 Q HA 0.001 4.322 4.340 -0.032 0.000 0.205 182 Q C 0.209 176.220 176.000 0.018 0.000 0.954 182 Q CA 0.569 56.385 55.803 0.022 0.000 0.901 182 Q CB 0.216 28.967 28.738 0.021 0.000 0.981 182 Q HN 0.260 nan 8.270 nan 0.000 0.483 183 T N 2.713 117.283 114.554 0.027 0.000 2.758 183 T HA 0.350 4.681 4.350 -0.032 0.000 0.285 183 T C -2.472 172.237 174.700 0.015 0.000 0.981 183 T CA -1.588 60.525 62.100 0.022 0.000 0.965 183 T CB 1.446 70.332 68.868 0.031 0.000 0.927 183 T HN -0.080 nan 8.240 nan 0.000 0.448 184 P HA 0.343 nan 4.420 nan 0.000 0.274 184 P C -0.368 176.929 177.300 -0.005 0.000 1.231 184 P CA -0.626 62.467 63.100 -0.012 0.000 0.790 184 P CB 0.477 32.166 31.700 -0.018 0.000 0.951 185 I N 1.177 121.736 120.570 -0.020 0.000 2.529 185 I HA 0.071 4.222 4.170 -0.032 0.000 0.284 185 I C 0.845 176.960 176.117 -0.003 0.000 1.082 185 I CA -0.105 61.193 61.300 -0.004 0.000 1.406 185 I CB 0.160 38.150 38.000 -0.017 0.000 1.405 185 I HN 0.283 nan 8.210 nan 0.000 0.548 186 D N 6.959 127.372 120.400 0.021 0.000 2.346 186 D HA 0.095 4.716 4.640 -0.032 0.000 0.260 186 D C 0.341 176.669 176.300 0.046 0.000 1.252 186 D CA 0.144 54.165 54.000 0.034 0.000 0.895 186 D CB 0.704 41.533 40.800 0.048 0.000 1.097 186 D HN 0.294 nan 8.370 nan 0.000 0.489 187 M N 1.870 121.487 119.600 0.028 0.000 2.404 187 M HA 0.064 4.525 4.480 -0.032 0.000 0.271 187 M C 0.330 176.727 176.300 0.162 0.000 1.128 187 M CA -0.111 55.213 55.300 0.041 0.000 0.982 187 M CB -0.759 31.728 32.600 -0.188 0.000 1.445 187 M HN 0.348 nan 8.290 nan 0.000 0.495 188 S N 0.407 116.194 115.700 0.144 0.000 2.593 188 S HA 0.710 5.161 4.470 -0.032 0.000 0.297 188 S C -0.224 174.495 174.600 0.198 0.000 1.112 188 S CA -0.826 57.484 58.200 0.184 0.000 1.043 188 S CB 1.932 65.228 63.200 0.161 0.000 1.054 188 S HN 0.124 nan 8.310 nan 0.000 0.516 189 L N 2.400 123.764 121.223 0.236 0.000 2.483 189 L HA 0.337 4.658 4.340 -0.032 0.000 0.276 189 L C 0.850 177.907 176.870 0.312 0.000 1.213 189 L CA 0.535 55.535 54.840 0.266 0.000 0.843 189 L CB 0.039 42.259 42.059 0.269 0.000 1.107 189 L HN 0.764 nan 8.230 nan 0.000 0.487 190 K N 3.751 124.293 120.400 0.236 0.000 2.270 190 K HA 0.305 4.606 4.320 -0.032 0.000 0.276 190 K C -2.311 174.389 176.600 0.167 0.000 1.023 190 K CA -1.510 54.868 56.287 0.152 0.000 0.955 190 K CB 0.874 33.440 32.500 0.109 0.000 0.975 190 K HN 0.281 nan 8.250 nan 0.000 0.471 191 P HA 0.018 nan 4.420 nan 0.000 0.270 191 P C -0.849 176.389 177.300 -0.103 0.000 1.227 191 P CA -0.264 62.649 63.100 -0.312 0.000 0.788 191 P CB 0.436 31.948 31.700 -0.312 0.000 0.926 192 N N 0.648 119.264 118.700 -0.139 0.000 2.483 192 N HA 0.079 4.800 4.740 -0.032 0.000 0.269 192 N C -0.344 175.159 175.510 -0.011 0.000 1.209 192 N CA -0.200 52.863 53.050 0.020 0.000 0.969 192 N CB -0.046 38.496 38.487 0.091 0.000 1.173 192 N HN 0.453 nan 8.380 nan 0.000 0.475 193 D N 0.310 120.725 120.400 0.026 0.000 2.412 193 D HA 0.151 4.772 4.640 -0.032 0.000 0.257 193 D C 0.990 177.294 176.300 0.007 0.000 1.217 193 D CA -0.193 53.819 54.000 0.019 0.000 0.897 193 D CB 0.630 41.453 40.800 0.039 0.000 1.132 193 D HN 0.504 nan 8.370 nan 0.000 0.493 194 A N 4.566 127.381 122.820 -0.008 0.000 1.869 194 A HA -0.294 4.007 4.320 -0.032 0.000 0.218 194 A C 1.958 179.539 177.584 -0.004 0.000 1.203 194 A CA 1.696 53.724 52.037 -0.014 0.000 0.638 194 A CB -0.661 18.329 19.000 -0.017 0.000 0.831 194 A HN 0.661 nan 8.150 nan 0.000 0.450 195 E N 0.361 120.566 120.200 0.007 0.000 2.058 195 E HA -0.106 4.225 4.350 -0.032 0.000 0.194 195 E C 2.464 179.077 176.600 0.022 0.000 0.997 195 E CA 1.625 58.034 56.400 0.015 0.000 0.801 195 E CB -0.627 29.087 29.700 0.023 0.000 0.746 195 E HN 0.679 nan 8.360 nan 0.000 0.450 196 S N 0.710 116.434 115.700 0.039 0.000 2.368 196 S HA -0.161 4.290 4.470 -0.032 0.000 0.224 196 S C 1.966 176.546 174.600 -0.033 0.000 1.029 196 S CA 1.176 59.410 58.200 0.057 0.000 0.988 196 S CB -0.236 63.037 63.200 0.122 0.000 0.838 196 S HN 0.354 nan 8.310 nan 0.000 0.462 197 E N 1.375 121.564 120.200 -0.017 0.000 2.085 197 E HA -0.221 4.110 4.350 -0.032 0.000 0.194 197 E C 1.921 178.483 176.600 -0.063 0.000 0.994 197 E CA 0.947 57.324 56.400 -0.039 0.000 0.801 197 E CB 0.017 29.720 29.700 0.005 0.000 0.743 197 E HN 0.085 nan 8.360 nan 0.000 0.453 198 K N 0.994 121.368 120.400 -0.042 0.000 2.026 198 K HA -0.173 4.128 4.320 -0.032 0.000 0.208 198 K C 1.995 178.556 176.600 -0.065 0.000 1.048 198 K CA 1.441 57.704 56.287 -0.040 0.000 0.929 198 K CB -0.430 32.058 32.500 -0.020 0.000 0.713 198 K HN 0.290 nan 8.250 nan 0.000 0.439 199 E N 0.206 120.364 120.200 -0.070 0.000 2.058 199 E HA -0.160 4.171 4.350 -0.032 0.000 0.194 199 E C 1.914 178.387 176.600 -0.212 0.000 0.997 199 E CA 1.452 57.802 56.400 -0.083 0.000 0.801 199 E CB 0.114 29.808 29.700 -0.010 0.000 0.746 199 E HN -0.028 nan 8.360 nan 0.000 0.450 200 V N 1.386 121.068 119.914 -0.386 0.000 2.252 200 V HA -0.315 3.786 4.120 -0.032 0.000 0.249 200 V C 2.429 178.368 176.094 -0.257 0.000 1.056 200 V CA 2.039 64.036 62.300 -0.505 0.000 1.022 200 V CB -0.504 30.989 31.823 -0.550 0.000 0.641 200 V HN 0.336 nan 8.190 nan 0.000 0.445 201 I N 0.104 120.581 120.570 -0.156 0.000 2.091 201 I HA -0.289 3.862 4.170 -0.032 0.000 0.239 201 I C 2.362 178.445 176.117 -0.057 0.000 1.061 201 I CA 1.966 63.222 61.300 -0.074 0.000 1.317 201 I CB -0.656 37.324 38.000 -0.032 0.000 1.031 201 I HN 0.306 nan 8.210 nan 0.000 0.401 202 D N 0.439 120.806 120.400 -0.055 0.000 2.133 202 D HA -0.159 4.462 4.640 -0.032 0.000 0.195 202 D C 2.245 178.527 176.300 -0.031 0.000 0.997 202 D CA 1.801 55.782 54.000 -0.031 0.000 0.840 202 D CB -0.416 40.369 40.800 -0.025 0.000 0.947 202 D HN 0.331 nan 8.370 nan 0.000 0.452 203 T N 0.805 115.325 114.554 -0.056 0.000 2.737 203 T HA -0.039 4.292 4.350 -0.032 0.000 0.265 203 T C 2.258 176.936 174.700 -0.037 0.000 1.038 203 T CA 0.509 62.585 62.100 -0.040 0.000 1.144 203 T CB -0.169 68.671 68.868 -0.047 0.000 0.866 203 T HN 0.157 nan 8.240 nan 0.000 0.434 204 I N 0.953 121.487 120.570 -0.060 0.000 2.163 204 I HA -0.160 3.991 4.170 -0.032 0.000 0.243 204 I C 2.322 178.447 176.117 0.014 0.000 1.085 204 I CA 1.261 62.544 61.300 -0.027 0.000 1.347 204 I CB -0.505 37.475 38.000 -0.032 0.000 1.044 204 I HN 0.192 nan 8.210 nan 0.000 0.408 205 L N 0.586 121.816 121.223 0.011 0.000 2.042 205 L HA -0.243 4.077 4.340 -0.032 0.000 0.210 205 L C 2.883 179.769 176.870 0.027 0.000 1.076 205 L CA 1.454 56.310 54.840 0.027 0.000 0.749 205 L CB -0.811 41.259 42.059 0.018 0.000 0.893 205 L HN 0.273 nan 8.230 nan 0.000 0.432 206 A N -0.323 122.506 122.820 0.014 0.000 1.902 206 A HA -0.192 4.109 4.320 -0.032 0.000 0.217 206 A C 2.167 179.761 177.584 0.017 0.000 1.181 206 A CA 1.478 53.524 52.037 0.015 0.000 0.623 206 A CB -0.529 18.477 19.000 0.009 0.000 0.818 206 A HN 0.264 nan 8.150 nan 0.000 0.443 207 L N -0.506 120.725 121.223 0.012 0.000 2.056 207 L HA -0.069 4.252 4.340 -0.032 0.000 0.207 207 L C 2.555 179.429 176.870 0.006 0.000 1.078 207 L CA 1.334 56.177 54.840 0.005 0.000 0.749 207 L CB -0.694 41.363 42.059 -0.002 0.000 0.901 207 L HN 0.198 nan 8.230 nan 0.000 0.433 208 V N -0.430 119.504 119.914 0.034 0.000 2.490 208 V HA -0.285 3.816 4.120 -0.032 0.000 0.250 208 V C 2.602 178.734 176.094 0.064 0.000 1.061 208 V CA 1.535 63.874 62.300 0.065 0.000 1.064 208 V CB -0.591 31.321 31.823 0.148 0.000 0.670 208 V HN 0.469 nan 8.190 nan 0.000 0.461 209 K N -0.216 120.217 120.400 0.055 0.000 2.097 209 K HA -0.189 4.112 4.320 -0.032 0.000 0.206 209 K C 1.354 177.983 176.600 0.047 0.000 1.049 209 K CA 1.660 57.981 56.287 0.056 0.000 0.933 209 K CB -0.072 32.455 32.500 0.045 0.000 0.717 209 K HN 0.459 nan 8.250 nan 0.000 0.442 210 D N -0.062 120.355 120.400 0.028 0.000 2.369 210 D HA 0.082 4.703 4.640 -0.032 0.000 0.211 210 D C -0.101 176.203 176.300 0.006 0.000 1.077 210 D CA 0.080 54.091 54.000 0.018 0.000 0.842 210 D CB 0.591 41.397 40.800 0.010 0.000 0.947 210 D HN 0.172 nan 8.370 nan 0.000 0.509 211 A N 1.020 123.833 122.820 -0.011 0.000 2.354 211 A HA 0.217 4.518 4.320 -0.032 0.000 0.269 211 A C 1.253 178.832 177.584 -0.008 0.000 1.109 211 A CA -0.254 51.753 52.037 -0.050 0.000 0.800 211 A CB 1.159 20.078 19.000 -0.134 0.000 1.045 211 A HN -0.032 nan 8.150 nan 0.000 0.489 212 K N 0.707 121.111 120.400 0.006 0.000 2.335 212 K HA 0.039 4.340 4.320 -0.032 0.000 0.195 212 K C 0.167 176.833 176.600 0.111 0.000 1.058 212 K CA 0.753 57.081 56.287 0.068 0.000 0.988 212 K CB 0.200 32.718 32.500 0.030 0.000 0.880 212 K HN 0.655 nan 8.250 nan 0.000 0.513 213 N N 1.351 120.057 118.700 0.010 0.000 2.733 213 N HA 0.260 4.980 4.740 -0.032 0.000 0.271 213 N C -2.983 172.427 175.510 -0.167 0.000 1.720 213 N CA -2.137 50.913 53.050 0.001 0.000 0.803 213 N CB 1.274 39.765 38.487 0.006 0.000 1.208 213 N HN -0.049 nan 8.380 nan 0.000 0.498 214 P HA 0.192 nan 4.420 nan 0.000 0.275 214 P C -0.667 176.348 177.300 -0.476 0.000 1.228 214 P CA -0.302 62.413 63.100 -0.643 0.000 0.786 214 P CB 1.654 32.484 31.700 -1.449 0.000 0.927 215 V N 3.750 123.510 119.914 -0.256 0.000 2.841 215 V HA 0.407 4.508 4.120 -0.032 0.000 0.310 215 V C -0.027 176.083 176.094 0.027 0.000 1.090 215 V CA -0.748 61.532 62.300 -0.032 0.000 0.930 215 V CB 2.144 33.942 31.823 -0.042 0.000 1.014 215 V HN 0.351 nan 8.190 nan 0.000 0.425 216 I N 5.003 125.643 120.570 0.118 0.000 2.392 216 I HA 0.520 4.671 4.170 -0.032 0.000 0.295 216 I C -0.935 175.242 176.117 0.100 0.000 0.985 216 I CA -0.644 60.706 61.300 0.083 0.000 1.221 216 I CB 1.691 39.717 38.000 0.043 0.000 1.366 216 I HN 0.354 nan 8.210 nan 0.000 0.467 217 L N 6.675 127.927 121.223 0.048 0.000 2.415 217 L HA 0.715 5.036 4.340 -0.032 0.000 0.268 217 L C -0.540 176.341 176.870 0.018 0.000 0.984 217 L CA -0.268 54.609 54.840 0.061 0.000 0.853 217 L CB 1.314 43.380 42.059 0.011 0.000 1.215 217 L HN 0.650 nan 8.230 nan 0.000 0.419 218 A N 3.454 126.284 122.820 0.017 0.000 2.260 218 A HA 0.653 4.954 4.320 -0.032 0.000 0.308 218 A C -0.599 176.986 177.584 0.000 0.000 1.254 218 A CA -0.399 51.624 52.037 -0.022 0.000 0.874 218 A CB 0.406 19.385 19.000 -0.035 0.000 1.153 218 A HN 0.738 nan 8.150 nan 0.000 0.527 219 D N 1.710 122.099 120.400 -0.018 0.000 2.621 219 D HA 0.645 5.266 4.640 -0.032 0.000 0.255 219 D C 1.512 177.792 176.300 -0.033 0.000 1.122 219 D CA 0.263 54.256 54.000 -0.012 0.000 1.096 219 D CB 1.586 42.387 40.800 0.002 0.000 1.282 219 D HN 0.489 nan 8.370 nan 0.000 0.619 220 A N 0.051 122.852 122.820 -0.032 0.000 1.883 220 A HA -0.332 3.969 4.320 -0.032 0.000 0.232 220 A C 2.394 179.951 177.584 -0.045 0.000 1.671 220 A CA 2.898 54.909 52.037 -0.042 0.000 0.748 220 A CB -1.603 17.368 19.000 -0.048 0.000 0.850 220 A HN 0.708 nan 8.150 nan 0.000 0.488 221 C N -1.429 117.845 119.300 -0.043 0.000 2.443 221 C HA -0.034 4.407 4.460 -0.032 0.000 0.290 221 C C 2.827 177.825 174.990 0.014 0.000 1.476 221 C CA 0.283 59.308 59.018 0.011 0.000 1.772 221 C CB -2.420 25.336 27.740 0.026 0.000 1.714 221 C HN 0.807 nan 8.230 nan 0.000 0.562 222 C N 0.067 119.345 119.300 -0.036 0.000 2.450 222 C HA -0.036 4.405 4.460 -0.032 0.000 0.279 222 C C 2.960 177.922 174.990 -0.046 0.000 1.335 222 C CA 1.604 60.588 59.018 -0.057 0.000 1.749 222 C CB -1.223 26.466 27.740 -0.085 0.000 1.963 222 C HN 0.614 nan 8.230 nan 0.000 0.501 223 S N -0.075 115.596 115.700 -0.049 0.000 2.371 223 S HA 0.036 4.487 4.470 -0.032 0.000 0.219 223 S C 2.002 176.591 174.600 -0.019 0.000 1.040 223 S CA 0.665 58.836 58.200 -0.047 0.000 0.958 223 S CB -0.300 62.839 63.200 -0.101 0.000 0.860 223 S HN 0.521 nan 8.310 nan 0.000 0.487 224 R N 0.942 121.416 120.500 -0.042 0.000 2.159 224 R HA 0.024 4.345 4.340 -0.032 0.000 0.237 224 R C 0.177 176.303 176.300 -0.291 0.000 1.131 224 R CA 1.179 57.202 56.100 -0.129 0.000 0.982 224 R CB -0.566 29.657 30.300 -0.130 0.000 0.868 224 R HN 0.468 nan 8.270 nan 0.000 0.453 225 H N 0.516 119.552 119.070 -0.056 0.000 2.429 225 H HA 0.111 4.647 4.556 -0.033 0.000 0.237 225 H C -0.748 174.530 175.328 -0.083 0.000 1.378 225 H CA -0.466 55.537 56.048 -0.076 0.000 1.170 225 H CB -0.048 29.672 29.762 -0.072 0.000 1.671 225 H HN 0.124 nan 8.280 nan 0.000 0.541 226 D N -0.308 120.085 120.400 -0.011 0.000 2.764 226 D HA -0.201 4.420 4.640 -0.032 0.000 0.223 226 D C 0.067 176.351 176.300 -0.027 0.000 1.207 226 D CA 0.503 54.495 54.000 -0.014 0.000 0.614 226 D CB -1.491 39.300 40.800 -0.015 0.000 1.007 226 D HN 0.345 nan 8.370 nan 0.000 0.407 227 V N -0.078 119.813 119.914 -0.038 0.000 3.253 227 V HA -0.019 4.082 4.120 -0.032 0.000 0.320 227 V C 2.131 178.177 176.094 -0.081 0.000 1.442 227 V CA 0.309 62.566 62.300 -0.070 0.000 1.097 227 V CB 0.507 32.279 31.823 -0.085 0.000 1.008 227 V HN 0.374 nan 8.190 nan 0.000 0.463 228 K N 1.481 121.845 120.400 -0.060 0.000 2.026 228 K HA -0.073 4.228 4.320 -0.032 0.000 0.208 228 K C 1.919 178.486 176.600 -0.055 0.000 1.048 228 K CA 1.916 58.167 56.287 -0.060 0.000 0.929 228 K CB -1.089 31.386 32.500 -0.042 0.000 0.713 228 K HN 0.335 nan 8.250 nan 0.000 0.439 229 A N 1.766 124.562 122.820 -0.039 0.000 1.883 229 A HA -0.201 4.100 4.320 -0.032 0.000 0.217 229 A C 2.094 179.647 177.584 -0.051 0.000 1.186 229 A CA 1.995 54.011 52.037 -0.034 0.000 0.624 229 A CB -0.524 18.464 19.000 -0.021 0.000 0.822 229 A HN 0.458 nan 8.150 nan 0.000 0.444 230 E N -0.371 119.790 120.200 -0.064 0.000 2.051 230 E HA -0.093 4.238 4.350 -0.032 0.000 0.192 230 E C 2.149 178.677 176.600 -0.120 0.000 0.991 230 E CA 1.826 58.175 56.400 -0.085 0.000 0.799 230 E CB -0.834 28.809 29.700 -0.095 0.000 0.748 230 E HN 0.596 nan 8.360 nan 0.000 0.449 231 T N 1.013 115.484 114.554 -0.139 0.000 2.746 231 T HA -0.142 4.189 4.350 -0.032 0.000 0.267 231 T C 1.668 176.284 174.700 -0.140 0.000 1.039 231 T CA 1.286 63.284 62.100 -0.170 0.000 1.142 231 T CB -0.143 68.624 68.868 -0.167 0.000 0.866 231 T HN 0.089 nan 8.240 nan 0.000 0.444 232 K N 0.771 121.109 120.400 -0.104 0.000 2.020 232 K HA -0.127 4.174 4.320 -0.032 0.000 0.212 232 K C 2.388 178.942 176.600 -0.078 0.000 1.050 232 K CA 1.140 57.379 56.287 -0.080 0.000 0.929 232 K CB -0.048 32.426 32.500 -0.043 0.000 0.714 232 K HN 0.151 nan 8.250 nan 0.000 0.443 233 K N 1.023 121.379 120.400 -0.072 0.000 2.217 233 K HA -0.060 4.241 4.320 -0.032 0.000 0.202 233 K C 2.048 178.584 176.600 -0.106 0.000 1.051 233 K CA 0.495 56.742 56.287 -0.067 0.000 0.952 233 K CB -0.331 32.139 32.500 -0.050 0.000 0.736 233 K HN 0.240 nan 8.250 nan 0.000 0.453 234 L N 1.133 122.273 121.223 -0.138 0.000 2.083 234 L HA -0.155 4.166 4.340 -0.032 0.000 0.209 234 L C 2.078 178.802 176.870 -0.243 0.000 1.083 234 L CA 1.317 56.045 54.840 -0.185 0.000 0.752 234 L CB -0.237 41.706 42.059 -0.193 0.000 0.899 234 L HN 0.072 nan 8.230 nan 0.000 0.433 235 I N 0.031 120.466 120.570 -0.226 0.000 2.179 235 I HA -0.315 3.836 4.170 -0.032 0.000 0.242 235 I C 2.134 178.122 176.117 -0.214 0.000 1.088 235 I CA 1.397 62.534 61.300 -0.272 0.000 1.357 235 I CB -0.514 37.274 38.000 -0.352 0.000 1.051 235 I HN 0.257 nan 8.210 nan 0.000 0.409 236 D N 0.863 121.203 120.400 -0.100 0.000 2.178 236 D HA -0.121 4.500 4.640 -0.032 0.000 0.201 236 D C 2.272 178.535 176.300 -0.062 0.000 0.980 236 D CA 1.307 55.310 54.000 0.004 0.000 0.842 236 D CB -0.107 40.714 40.800 0.035 0.000 0.948 236 D HN 0.358 nan 8.370 nan 0.000 0.472 237 L N 0.362 121.508 121.223 -0.127 0.000 2.341 237 L HA -0.020 4.301 4.340 -0.032 0.000 0.214 237 L C 2.356 179.094 176.870 -0.220 0.000 1.115 237 L CA 1.088 55.846 54.840 -0.137 0.000 0.820 237 L CB -0.106 41.878 42.059 -0.125 0.000 0.944 237 L HN 0.102 nan 8.230 nan 0.000 0.452 238 T N -6.209 108.107 114.554 -0.397 0.000 3.018 238 T HA 0.043 4.374 4.350 -0.032 0.000 0.246 238 T C 0.955 175.368 174.700 -0.478 0.000 1.026 238 T CA -0.165 61.503 62.100 -0.719 0.000 1.081 238 T CB 0.405 68.179 68.868 -1.824 0.000 0.970 238 T HN 0.109 nan 8.240 nan 0.000 0.475 239 Q N 0.176 119.819 119.800 -0.261 0.000 2.493 239 Q HA -0.106 4.215 4.340 -0.032 0.000 0.260 239 Q C -0.937 175.177 176.000 0.191 0.000 0.905 239 Q CA 0.372 56.196 55.803 0.035 0.000 1.140 239 Q CB -2.486 26.358 28.738 0.176 0.000 1.435 239 Q HN 0.563 nan 8.270 nan 0.000 0.581 240 F N 1.043 120.925 119.950 -0.114 0.000 2.418 240 F HA 0.325 4.833 4.527 -0.032 0.000 0.341 240 F C -1.281 174.463 175.800 -0.094 0.000 1.120 240 F CA -2.596 55.295 58.000 -0.181 0.000 1.232 240 F CB -0.493 38.359 39.000 -0.247 0.000 1.175 240 F HN -0.184 nan 8.300 nan 0.000 0.569 241 P HA 0.209 nan 4.420 nan 0.000 0.266 241 P C -1.159 176.075 177.300 -0.109 0.000 1.195 241 P CA 0.076 63.170 63.100 -0.010 0.000 0.768 241 P CB 0.518 32.316 31.700 0.164 0.000 0.838 242 A N 3.231 125.799 122.820 -0.420 0.000 2.330 242 A HA 0.743 5.044 4.320 -0.032 0.000 0.313 242 A C -1.191 176.011 177.584 -0.637 0.000 1.124 242 A CA -0.371 51.481 52.037 -0.309 0.000 0.774 242 A CB 0.424 19.317 19.000 -0.179 0.000 1.198 242 A HN 0.349 nan 8.150 nan 0.000 0.465 243 F N 1.057 120.969 119.950 -0.063 0.000 2.579 243 F HA 0.689 5.197 4.527 -0.032 0.000 0.324 243 F C 0.305 176.125 175.800 0.034 0.000 1.058 243 F CA -0.707 57.249 58.000 -0.072 0.000 0.944 243 F CB 2.462 41.404 39.000 -0.097 0.000 1.245 243 F HN 0.540 nan 8.300 nan 0.000 0.477 244 V N -1.783 118.284 119.914 0.255 0.000 3.001 244 V HA 0.884 4.985 4.120 -0.032 0.000 0.314 244 V C -0.379 175.804 176.094 0.149 0.000 1.099 244 V CA -0.855 61.547 62.300 0.170 0.000 0.989 244 V CB 1.250 33.158 31.823 0.142 0.000 1.040 244 V HN 0.883 nan 8.190 nan 0.000 0.434 245 T N -0.761 113.845 114.554 0.087 0.000 2.923 245 T HA 0.596 4.926 4.350 -0.032 0.000 0.281 245 T C -1.937 172.756 174.700 -0.012 0.000 0.995 245 T CA -1.824 60.305 62.100 0.049 0.000 0.985 245 T CB 1.510 70.404 68.868 0.043 0.000 1.114 245 T HN 0.491 nan 8.240 nan 0.000 0.548 246 P HA -0.073 nan 4.420 nan 0.000 0.215 246 P C 1.723 178.973 177.300 -0.082 0.000 1.157 246 P CA 1.370 64.407 63.100 -0.106 0.000 0.874 246 P CB -0.015 31.585 31.700 -0.166 0.000 0.790 247 M N -1.849 117.712 119.600 -0.064 0.000 2.319 247 M HA -0.002 4.459 4.480 -0.032 0.000 0.265 247 M C 1.848 178.124 176.300 -0.041 0.000 1.068 247 M CA 1.655 56.927 55.300 -0.046 0.000 1.118 247 M CB -0.589 31.988 32.600 -0.038 0.000 1.395 247 M HN -0.025 nan 8.290 nan 0.000 0.435 248 G N -0.444 108.335 108.800 -0.035 0.000 2.939 248 G HA2 -0.025 3.916 3.960 -0.032 0.000 0.210 248 G HA3 -0.025 3.916 3.960 -0.032 0.000 0.210 248 G C 0.454 175.326 174.900 -0.046 0.000 1.160 248 G CA -0.317 44.758 45.100 -0.042 0.000 0.770 248 G HN 0.262 nan 8.290 nan 0.000 0.543 249 K N 0.754 121.135 120.400 -0.031 0.000 2.473 249 K HA 0.242 4.542 4.320 -0.032 0.000 0.277 249 K C 1.367 177.997 176.600 0.051 0.000 1.052 249 K CA 0.999 57.276 56.287 -0.018 0.000 1.114 249 K CB -0.156 32.301 32.500 -0.072 0.000 0.869 249 K HN 0.270 nan 8.250 nan 0.000 0.481 250 G N 2.035 110.874 108.800 0.065 0.000 2.218 250 G HA2 -0.241 3.700 3.960 -0.032 0.000 0.216 250 G HA3 -0.241 3.700 3.960 -0.032 0.000 0.216 250 G C 0.896 175.730 174.900 -0.109 0.000 0.994 250 G CA 0.235 45.355 45.100 0.032 0.000 0.637 250 G HN 0.586 nan 8.290 nan 0.000 0.505 251 S N -0.109 115.527 115.700 -0.107 0.000 2.453 251 S HA 0.318 4.769 4.470 -0.032 0.000 0.231 251 S C 0.903 175.454 174.600 -0.081 0.000 1.005 251 S CA 0.785 58.922 58.200 -0.105 0.000 0.949 251 S CB 0.131 63.283 63.200 -0.081 0.000 0.774 251 S HN 0.546 nan 8.310 nan 0.000 0.510 252 I N 0.864 121.388 120.570 -0.077 0.000 2.533 252 I HA 0.204 4.355 4.170 -0.032 0.000 0.290 252 I C -0.596 175.440 176.117 -0.134 0.000 1.056 252 I CA -0.476 60.774 61.300 -0.083 0.000 1.057 252 I CB 2.186 40.164 38.000 -0.037 0.000 1.240 252 I HN -0.143 nan 8.210 nan 0.000 0.423 253 S N 4.602 120.247 115.700 -0.092 0.000 2.481 253 S HA 0.038 4.488 4.470 -0.032 0.000 0.282 253 S C 1.046 175.525 174.600 -0.202 0.000 1.243 253 S CA -0.213 57.932 58.200 -0.091 0.000 1.078 253 S CB 0.181 63.373 63.200 -0.014 0.000 0.916 253 S HN 0.555 nan 8.310 nan 0.000 0.495 254 E N 1.905 121.898 120.200 -0.346 0.000 2.478 254 E HA -0.086 4.245 4.350 -0.032 0.000 0.198 254 E C 0.845 177.314 176.600 -0.217 0.000 1.046 254 E CA 0.493 56.517 56.400 -0.627 0.000 0.870 254 E CB 0.121 29.392 29.700 -0.716 0.000 0.818 254 E HN 0.583 nan 8.360 nan 0.000 0.527 255 Q N 0.238 119.991 119.800 -0.077 0.000 2.220 255 Q HA 0.034 4.355 4.340 -0.032 0.000 0.205 255 Q C 0.132 176.137 176.000 0.009 0.000 0.865 255 Q CA 0.066 55.861 55.803 -0.013 0.000 0.960 255 Q CB 0.236 28.959 28.738 -0.024 0.000 1.097 255 Q HN 0.313 nan 8.270 nan 0.000 0.493 256 H N 3.473 122.527 119.070 -0.026 0.000 2.848 256 H HA 0.055 4.592 4.556 -0.032 0.000 0.317 256 H C -1.531 173.817 175.328 0.033 0.000 1.046 256 H CA -1.445 54.602 56.048 -0.001 0.000 1.470 256 H CB 1.428 31.190 29.762 -0.000 0.000 1.483 256 H HN -0.100 nan 8.280 nan 0.000 0.548 257 P HA -0.103 nan 4.420 nan 0.000 0.226 257 P C 0.701 178.152 177.300 0.251 0.000 1.146 257 P CA 1.011 64.176 63.100 0.108 0.000 0.773 257 P CB 0.275 31.974 31.700 -0.002 0.000 0.772 258 R N -2.135 118.668 120.500 0.505 0.000 2.437 258 R HA 0.125 4.446 4.340 -0.032 0.000 0.257 258 R C 0.294 176.562 176.300 -0.054 0.000 0.927 258 R CA -0.544 55.631 56.100 0.125 0.000 1.078 258 R CB -0.378 29.916 30.300 -0.010 0.000 1.161 258 R HN 0.242 nan 8.270 nan 0.000 0.529 259 Y N 0.870 121.107 120.300 -0.105 0.000 2.465 259 Y HA 0.204 4.735 4.550 -0.032 0.000 0.331 259 Y C 1.243 176.954 175.900 -0.315 0.000 1.102 259 Y CA 0.028 57.990 58.100 -0.230 0.000 1.358 259 Y CB 0.935 39.330 38.460 -0.109 0.000 1.213 259 Y HN 0.064 nan 8.280 nan 0.000 0.525 260 G N 2.988 111.028 108.800 -1.266 0.000 3.020 260 G HA2 0.457 4.398 3.960 -0.032 0.000 0.217 260 G HA3 0.457 4.398 3.960 -0.032 0.000 0.217 260 G C 0.387 174.795 174.900 -0.820 0.000 1.144 260 G CA 0.292 44.753 45.100 -1.066 0.000 0.760 260 G HN 1.362 nan 8.290 nan 0.000 0.548 261 G N -1.195 106.756 108.800 -1.414 0.000 2.343 261 G HA2 0.125 4.066 3.960 -0.032 0.000 0.562 261 G HA3 0.125 4.066 3.960 -0.032 0.000 0.562 261 G C -1.125 173.704 174.900 -0.120 0.000 1.269 261 G CA -0.372 44.375 45.100 -0.588 0.000 1.011 261 G HN 0.660 nan 8.290 nan 0.000 0.498 262 V N 1.044 121.002 119.914 0.073 0.000 2.348 262 V HA 0.476 4.577 4.120 -0.032 0.000 0.270 262 V C -0.167 175.999 176.094 0.120 0.000 1.037 262 V CA -0.405 61.958 62.300 0.105 0.000 0.872 262 V CB 0.802 32.634 31.823 0.015 0.000 1.002 262 V HN 0.829 nan 8.190 nan 0.000 0.464 263 Y N 5.003 125.321 120.300 0.030 0.000 2.350 263 Y HA 0.543 5.074 4.550 -0.032 0.000 0.340 263 Y C 0.210 176.084 175.900 -0.043 0.000 1.006 263 Y CA -0.519 57.556 58.100 -0.042 0.000 1.166 263 Y CB 1.685 40.080 38.460 -0.109 0.000 1.168 263 Y HN 0.354 nan 8.280 nan 0.000 0.502 264 V N 7.719 127.276 119.914 -0.594 0.000 2.724 264 V HA 0.487 4.588 4.120 -0.032 0.000 0.341 264 V C 0.591 176.341 176.094 -0.574 0.000 1.254 264 V CA 0.540 62.549 62.300 -0.485 0.000 1.261 264 V CB -0.562 31.129 31.823 -0.221 0.000 1.445 264 V HN 1.307 nan 8.190 nan 0.000 0.652 265 G N 2.259 110.406 108.800 -1.087 0.000 2.622 265 G HA2 -0.430 3.511 3.960 -0.032 0.000 0.307 265 G HA3 -0.430 3.511 3.960 -0.032 0.000 0.307 265 G C 0.950 175.655 174.900 -0.324 0.000 1.226 265 G CA 0.907 45.589 45.100 -0.697 0.000 0.997 265 G HN 0.747 nan 8.290 nan 0.000 0.551 266 T N 0.632 115.088 114.554 -0.163 0.000 2.881 266 T HA -0.012 4.319 4.350 -0.032 0.000 0.270 266 T C 2.267 176.915 174.700 -0.087 0.000 1.068 266 T CA 1.639 63.686 62.100 -0.087 0.000 1.131 266 T CB -0.125 68.712 68.868 -0.051 0.000 0.871 266 T HN 0.405 nan 8.240 nan 0.000 0.479 267 L N 1.244 122.400 121.223 -0.112 0.000 2.627 267 L HA 0.194 4.515 4.340 -0.032 0.000 0.233 267 L C 0.511 177.324 176.870 -0.094 0.000 1.144 267 L CA 0.252 55.043 54.840 -0.082 0.000 0.892 267 L CB -0.173 41.845 42.059 -0.068 0.000 1.039 267 L HN 0.001 nan 8.230 nan 0.000 0.442 268 S N -0.061 115.562 115.700 -0.127 0.000 2.562 268 S HA 0.204 4.655 4.470 -0.032 0.000 0.275 268 S C 0.131 174.708 174.600 -0.038 0.000 1.281 268 S CA -0.640 57.502 58.200 -0.097 0.000 1.045 268 S CB 0.872 64.009 63.200 -0.106 0.000 0.962 268 S HN 0.112 nan 8.310 nan 0.000 0.503 269 K N 3.077 123.466 120.400 -0.019 0.000 2.473 269 K HA -0.030 4.271 4.320 -0.032 0.000 0.277 269 K C -1.703 174.898 176.600 0.003 0.000 1.052 269 K CA -0.949 55.335 56.287 -0.004 0.000 1.114 269 K CB 0.078 32.581 32.500 0.005 0.000 0.869 269 K HN 0.313 nan 8.250 nan 0.000 0.481 270 P HA -0.299 nan 4.420 nan 0.000 0.222 270 P C 0.351 177.654 177.300 0.005 0.000 1.157 270 P CA 1.701 64.801 63.100 0.001 0.000 0.905 270 P CB 0.228 31.927 31.700 -0.000 0.000 0.792 271 E N -1.064 119.143 120.200 0.012 0.000 2.106 271 E HA -0.102 4.229 4.350 -0.032 0.000 0.192 271 E C 1.960 178.573 176.600 0.021 0.000 0.984 271 E CA 0.845 57.255 56.400 0.018 0.000 0.806 271 E CB -1.572 28.145 29.700 0.029 0.000 0.750 271 E HN 0.096 nan 8.360 nan 0.000 0.458 272 V N 1.393 121.327 119.914 0.034 0.000 2.270 272 V HA -0.276 3.825 4.120 -0.032 0.000 0.245 272 V C 2.422 178.480 176.094 -0.060 0.000 1.043 272 V CA 2.035 64.351 62.300 0.025 0.000 1.014 272 V CB -0.545 31.335 31.823 0.097 0.000 0.645 272 V HN 0.266 nan 8.190 nan 0.000 0.447 273 K N 0.135 120.550 120.400 0.025 0.000 2.015 273 K HA -0.315 3.986 4.320 -0.032 0.000 0.216 273 K C 2.235 178.820 176.600 -0.025 0.000 1.052 273 K CA 2.463 58.790 56.287 0.067 0.000 0.937 273 K CB -0.278 32.245 32.500 0.039 0.000 0.719 273 K HN 0.567 nan 8.250 nan 0.000 0.446 274 E N -0.342 119.837 120.200 -0.035 0.000 2.033 274 E HA -0.239 4.092 4.350 -0.032 0.000 0.199 274 E C 1.854 178.401 176.600 -0.089 0.000 1.011 274 E CA 1.438 57.809 56.400 -0.048 0.000 0.815 274 E CB -0.226 29.461 29.700 -0.022 0.000 0.755 274 E HN 0.474 nan 8.360 nan 0.000 0.451 275 A N 0.239 122.997 122.820 -0.104 0.000 1.940 275 A HA -0.147 4.154 4.320 -0.032 0.000 0.219 275 A C 2.371 179.790 177.584 -0.274 0.000 1.176 275 A CA 1.543 53.513 52.037 -0.112 0.000 0.631 275 A CB -0.504 18.520 19.000 0.040 0.000 0.814 275 A HN 0.246 nan 8.150 nan 0.000 0.446 276 V N -0.151 119.459 119.914 -0.507 0.000 2.346 276 V HA -0.184 3.917 4.120 -0.032 0.000 0.244 276 V C 2.211 178.073 176.094 -0.387 0.000 1.037 276 V CA 2.011 63.922 62.300 -0.649 0.000 1.029 276 V CB -0.736 30.431 31.823 -1.093 0.000 0.663 276 V HN 0.637 nan 8.190 nan 0.000 0.454 277 E N -0.303 119.743 120.200 -0.256 0.000 2.409 277 E HA -0.130 4.201 4.350 -0.032 0.000 0.198 277 E C 2.237 178.767 176.600 -0.116 0.000 1.024 277 E CA 0.931 57.243 56.400 -0.147 0.000 0.861 277 E CB -0.082 29.580 29.700 -0.063 0.000 0.788 277 E HN 0.409 nan 8.360 nan 0.000 0.521 278 S N 0.306 115.935 115.700 -0.119 0.000 2.436 278 S HA 0.070 4.520 4.470 -0.032 0.000 0.228 278 S C 0.922 175.472 174.600 -0.083 0.000 1.014 278 S CA 0.235 58.385 58.200 -0.082 0.000 0.950 278 S CB 0.015 63.172 63.200 -0.072 0.000 0.784 278 S HN 0.326 nan 8.310 nan 0.000 0.504 279 A N 1.940 124.690 122.820 -0.116 0.000 2.520 279 A HA 0.158 4.459 4.320 -0.032 0.000 0.235 279 A C 0.733 178.261 177.584 -0.093 0.000 1.065 279 A CA 0.268 52.238 52.037 -0.112 0.000 0.764 279 A CB 0.124 19.036 19.000 -0.147 0.000 1.002 279 A HN 0.548 nan 8.150 nan 0.000 0.502 280 D N 0.183 120.531 120.400 -0.088 0.000 2.349 280 D HA 0.175 4.796 4.640 -0.032 0.000 0.214 280 D C 0.090 176.340 176.300 -0.082 0.000 1.063 280 D CA 0.183 54.141 54.000 -0.071 0.000 0.847 280 D CB 0.210 40.977 40.800 -0.055 0.000 0.933 280 D HN 0.259 nan 8.370 nan 0.000 0.513 281 L N 0.708 121.864 121.223 -0.112 0.000 2.526 281 L HA 0.414 4.735 4.340 -0.032 0.000 0.263 281 L C -1.810 174.987 176.870 -0.121 0.000 0.943 281 L CA -0.641 54.130 54.840 -0.115 0.000 0.859 281 L CB 2.330 44.299 42.059 -0.151 0.000 1.313 281 L HN -0.150 nan 8.230 nan 0.000 0.406 282 I N 5.449 125.973 120.570 -0.077 0.000 2.418 282 I HA 0.280 4.430 4.170 -0.032 0.000 0.287 282 I C -1.011 175.112 176.117 0.010 0.000 1.008 282 I CA -0.847 60.418 61.300 -0.059 0.000 1.104 282 I CB 2.136 40.090 38.000 -0.077 0.000 1.264 282 I HN 0.312 nan 8.210 nan 0.000 0.438 283 L N 5.265 126.521 121.223 0.055 0.000 2.297 283 L HA 0.262 4.583 4.340 -0.032 0.000 0.277 283 L C 0.517 177.482 176.870 0.157 0.000 1.040 283 L CA -0.106 54.855 54.840 0.201 0.000 0.867 283 L CB 0.632 42.828 42.059 0.228 0.000 1.244 283 L HN 0.539 nan 8.230 nan 0.000 0.433 284 S N 2.988 118.789 115.700 0.168 0.000 2.411 284 S HA 0.407 4.858 4.470 -0.032 0.000 0.294 284 S C 0.240 174.905 174.600 0.109 0.000 1.115 284 S CA -0.451 57.796 58.200 0.079 0.000 1.071 284 S CB 0.561 63.778 63.200 0.029 0.000 0.967 284 S HN 0.289 nan 8.310 nan 0.000 0.488 285 V N 6.196 126.090 119.914 -0.033 0.000 2.776 285 V HA 0.385 4.486 4.120 -0.032 0.000 0.332 285 V C 1.305 177.337 176.094 -0.103 0.000 1.201 285 V CA -0.113 62.104 62.300 -0.138 0.000 1.401 285 V CB -0.326 31.329 31.823 -0.280 0.000 1.552 285 V HN 0.914 nan 8.190 nan 0.000 0.605 286 G N 0.391 109.128 108.800 -0.105 0.000 2.504 286 G HA2 0.754 4.695 3.960 -0.032 0.000 0.257 286 G HA3 0.754 4.695 3.960 -0.032 0.000 0.257 286 G C 0.023 174.868 174.900 -0.092 0.000 1.451 286 G CA 0.471 45.520 45.100 -0.086 0.000 1.059 286 G HN 0.715 nan 8.290 nan 0.000 0.550 287 A N -1.909 120.909 122.820 -0.003 0.000 4.015 287 A HA 0.695 4.996 4.320 -0.032 0.000 0.233 287 A C -0.448 177.248 177.584 0.186 0.000 0.909 287 A CA -0.568 51.511 52.037 0.071 0.000 0.683 287 A CB -0.439 18.567 19.000 0.010 0.000 1.540 287 A HN 0.768 nan 8.150 nan 0.000 0.809 288 L N 0.152 121.443 121.223 0.112 0.000 2.498 288 L HA 0.085 4.406 4.340 -0.032 0.000 0.293 288 L C 0.047 176.978 176.870 0.103 0.000 1.271 288 L CA 0.179 55.080 54.840 0.103 0.000 0.831 288 L CB -0.267 41.834 42.059 0.071 0.000 1.091 288 L HN 0.392 nan 8.230 nan 0.000 0.535 289 L N 1.245 122.518 121.223 0.083 0.000 2.865 289 L HA 0.180 4.501 4.340 -0.032 0.000 0.233 289 L C 1.451 178.353 176.870 0.053 0.000 1.320 289 L CA 0.544 55.425 54.840 0.069 0.000 1.225 289 L CB -1.074 41.020 42.059 0.059 0.000 1.542 289 L HN 0.852 nan 8.230 nan 0.000 0.432 290 S N 0.935 116.667 115.700 0.053 0.000 2.507 290 S HA -0.044 4.407 4.470 -0.032 0.000 0.235 290 S C 0.428 175.048 174.600 0.033 0.000 0.988 290 S CA 0.874 59.099 58.200 0.041 0.000 0.944 290 S CB -0.103 63.119 63.200 0.036 0.000 0.762 290 S HN 0.814 nan 8.310 nan 0.000 0.526 303 T N 0.489 115.016 114.554 -0.046 0.000 0.541 303 T HA -0.126 4.205 4.350 -0.032 0.000 0.774 303 T C 0.410 175.094 174.700 -0.027 0.000 0.992 303 T CA 0.903 62.982 62.100 -0.035 0.000 4.077 303 T CB -0.924 67.921 68.868 -0.039 0.000 2.303 303 T HN 0.297 nan 8.240 nan 0.000 0.398 304 K N 0.197 120.585 120.400 -0.020 0.000 2.356 304 K HA 0.163 4.463 4.320 -0.032 0.000 0.195 304 K C 0.976 177.569 176.600 -0.012 0.000 1.037 304 K CA 0.289 56.569 56.287 -0.012 0.000 1.014 304 K CB -0.364 32.130 32.500 -0.009 0.000 0.815 304 K HN 0.544 nan 8.250 nan 0.000 0.507 305 N N 1.634 120.321 118.700 -0.021 0.000 2.971 305 N HA 0.095 4.815 4.740 -0.032 0.000 0.294 305 N C -1.232 174.262 175.510 -0.027 0.000 1.210 305 N CA 0.075 53.111 53.050 -0.023 0.000 1.157 305 N CB -0.497 37.971 38.487 -0.030 0.000 1.450 305 N HN -0.027 nan 8.380 nan 0.000 0.527 306 I N 0.937 121.498 120.570 -0.016 0.000 2.433 306 I HA 0.276 4.427 4.170 -0.032 0.000 0.292 306 I C -0.346 175.763 176.117 -0.013 0.000 1.001 306 I CA -0.897 60.395 61.300 -0.012 0.000 1.119 306 I CB 2.061 40.060 38.000 -0.001 0.000 1.289 306 I HN -0.113 nan 8.210 nan 0.000 0.438 307 V N 5.683 125.585 119.914 -0.021 0.000 2.328 307 V HA 0.323 4.424 4.120 -0.032 0.000 0.278 307 V C -0.135 175.902 176.094 -0.095 0.000 1.021 307 V CA -0.683 61.557 62.300 -0.100 0.000 0.838 307 V CB 0.991 32.722 31.823 -0.153 0.000 0.999 307 V HN 0.657 nan 8.190 nan 0.000 0.447 308 E N 4.669 124.800 120.200 -0.116 0.000 2.115 308 E HA 0.417 4.748 4.350 -0.032 0.000 0.282 308 E C -1.201 175.233 176.600 -0.278 0.000 0.987 308 E CA -0.369 55.964 56.400 -0.111 0.000 0.797 308 E CB 1.194 30.921 29.700 0.045 0.000 1.086 308 E HN 0.503 nan 8.360 nan 0.000 0.397 309 F N 3.144 122.897 119.950 -0.328 0.000 2.420 309 F HA 0.262 4.770 4.527 -0.032 0.000 0.352 309 F C 0.844 176.315 175.800 -0.548 0.000 1.108 309 F CA -0.081 57.733 58.000 -0.311 0.000 1.162 309 F CB 0.663 39.538 39.000 -0.210 0.000 1.118 309 F HN 0.365 nan 8.300 nan 0.000 0.510 310 H N 0.088 119.089 119.070 -0.115 0.000 2.980 310 H HA 0.155 4.693 4.556 -0.030 0.000 0.367 310 H C 0.736 175.944 175.328 -0.199 0.000 1.206 310 H CA -0.136 55.771 56.048 -0.235 0.000 1.126 310 H CB 2.063 31.524 29.762 -0.501 0.000 1.838 310 H HN 0.554 nan 8.280 nan 0.000 0.552 311 S N 0.706 116.347 115.700 -0.098 0.000 2.380 311 S HA -0.233 4.218 4.470 -0.032 0.000 0.229 311 S C 0.833 175.375 174.600 -0.097 0.000 1.043 311 S CA 2.081 60.139 58.200 -0.237 0.000 1.038 311 S CB -0.264 62.498 63.200 -0.731 0.000 0.872 311 S HN 0.755 nan 8.310 nan 0.000 0.456 312 D N 0.313 120.715 120.400 0.003 0.000 2.650 312 D HA 0.189 4.810 4.640 -0.032 0.000 0.265 312 D C 0.273 176.698 176.300 0.209 0.000 1.339 312 D CA -0.448 53.606 54.000 0.091 0.000 0.816 312 D CB -0.490 40.365 40.800 0.091 0.000 1.091 312 D HN 0.794 nan 8.370 nan 0.000 0.483 313 H N -1.980 117.138 119.070 0.080 0.000 3.020 313 H HA 0.328 4.865 4.556 -0.031 0.000 0.303 313 H C -1.819 173.603 175.328 0.156 0.000 1.332 313 H CA -0.837 55.272 56.048 0.102 0.000 1.282 313 H CB 0.274 30.069 29.762 0.054 0.000 1.928 313 H HN -0.192 nan 8.280 nan 0.000 0.519 314 M N 1.836 121.518 119.600 0.136 0.000 2.664 314 M HA 0.493 4.954 4.480 -0.032 0.000 0.314 314 M C -0.423 176.068 176.300 0.317 0.000 1.200 314 M CA -0.692 54.651 55.300 0.072 0.000 0.916 314 M CB 2.281 34.836 32.600 -0.074 0.000 1.717 314 M HN 0.707 nan 8.290 nan 0.000 0.470 315 K N 1.899 122.416 120.400 0.196 0.000 2.553 315 K HA 0.665 4.966 4.320 -0.032 0.000 0.250 315 K C -2.053 174.625 176.600 0.129 0.000 0.953 315 K CA -0.351 56.074 56.287 0.230 0.000 0.800 315 K CB 1.774 34.396 32.500 0.204 0.000 1.243 315 K HN 0.731 nan 8.250 nan 0.000 0.435 316 I N 5.218 125.907 120.570 0.198 0.000 2.466 316 I HA 0.357 4.508 4.170 -0.032 0.000 0.279 316 I C 0.229 176.401 176.117 0.093 0.000 1.033 316 I CA -0.693 60.678 61.300 0.118 0.000 1.123 316 I CB 1.531 39.616 38.000 0.141 0.000 1.237 316 I HN 0.845 nan 8.210 nan 0.000 0.460 317 R N 3.854 124.381 120.500 0.046 0.000 3.992 317 R HA -0.304 4.017 4.340 -0.032 0.000 0.330 317 R C 0.655 176.971 176.300 0.026 0.000 0.242 317 R CA 2.313 58.429 56.100 0.028 0.000 1.095 317 R CB -1.088 29.226 30.300 0.023 0.000 1.002 317 R HN 0.751 nan 8.270 nan 0.000 0.559 318 N N 0.131 118.837 118.700 0.010 0.000 2.299 318 N HA 0.394 5.115 4.740 -0.032 0.000 0.187 318 N C -0.682 174.803 175.510 -0.042 0.000 1.099 318 N CA 0.442 53.486 53.050 -0.010 0.000 0.867 318 N CB 0.660 39.136 38.487 -0.018 0.000 0.974 318 N HN 0.550 nan 8.380 nan 0.000 0.477 319 A N 1.172 123.962 122.820 -0.051 0.000 2.454 319 A HA 0.348 4.649 4.320 -0.032 0.000 0.260 319 A C 0.599 178.044 177.584 -0.232 0.000 1.106 319 A CA -0.151 51.776 52.037 -0.185 0.000 0.780 319 A CB -0.125 18.783 19.000 -0.154 0.000 1.044 319 A HN 0.229 nan 8.150 nan 0.000 0.498 320 T N -0.468 113.867 114.554 -0.366 0.000 2.888 320 T HA 0.717 5.048 4.350 -0.032 0.000 0.284 320 T C -0.795 173.602 174.700 -0.506 0.000 1.017 320 T CA -0.466 61.507 62.100 -0.213 0.000 1.022 320 T CB 0.720 69.541 68.868 -0.078 0.000 1.013 320 T HN 0.344 nan 8.240 nan 0.000 0.465 321 F N 2.541 122.528 119.950 0.062 0.000 2.564 321 F HA 0.393 4.901 4.527 -0.032 0.000 0.361 321 F C -2.438 173.410 175.800 0.079 0.000 1.161 321 F CA -2.519 55.511 58.000 0.049 0.000 1.198 321 F CB 1.238 40.257 39.000 0.032 0.000 1.424 321 F HN 0.352 nan 8.300 nan 0.000 0.517 322 P HA 0.149 nan 4.420 nan 0.000 0.263 322 P C 0.953 178.335 177.300 0.138 0.000 1.195 322 P CA 0.865 64.029 63.100 0.107 0.000 0.762 322 P CB 0.847 32.559 31.700 0.020 0.000 0.799 323 G N 1.749 110.640 108.800 0.153 0.000 2.148 323 G HA2 -0.208 3.733 3.960 -0.032 0.000 0.254 323 G HA3 -0.208 3.733 3.960 -0.032 0.000 0.254 323 G C -0.043 174.943 174.900 0.144 0.000 0.981 323 G CA -0.146 45.034 45.100 0.133 0.000 0.670 323 G HN 0.511 nan 8.290 nan 0.000 0.528 324 V N 1.620 121.633 119.914 0.165 0.000 2.389 324 V HA 0.318 4.419 4.120 -0.032 0.000 0.264 324 V C 0.755 176.917 176.094 0.112 0.000 1.049 324 V CA -0.235 62.142 62.300 0.129 0.000 0.932 324 V CB 1.182 33.063 31.823 0.096 0.000 1.011 324 V HN 0.460 nan 8.190 nan 0.000 0.475 325 Q N 4.852 124.728 119.800 0.125 0.000 2.293 325 Q HA 0.207 4.528 4.340 -0.032 0.000 0.263 325 Q C 1.408 177.434 176.000 0.044 0.000 1.002 325 Q CA -0.178 55.668 55.803 0.071 0.000 0.910 325 Q CB 1.250 30.043 28.738 0.092 0.000 1.185 325 Q HN 0.898 nan 8.270 nan 0.000 0.401 326 M N 1.756 121.364 119.600 0.013 0.000 2.202 326 M HA -0.190 4.271 4.480 -0.032 0.000 0.262 326 M C 1.549 177.852 176.300 0.006 0.000 1.063 326 M CA 1.483 56.830 55.300 0.079 0.000 1.097 326 M CB -0.119 32.553 32.600 0.121 0.000 1.382 326 M HN 0.387 nan 8.290 nan 0.000 0.413 327 K N 1.078 121.386 120.400 -0.153 0.000 2.015 327 K HA -0.159 4.141 4.320 -0.032 0.000 0.216 327 K C 1.628 178.103 176.600 -0.209 0.000 1.052 327 K CA 2.143 58.257 56.287 -0.289 0.000 0.937 327 K CB -0.537 31.624 32.500 -0.566 0.000 0.719 327 K HN 0.503 nan 8.250 nan 0.000 0.446 328 F N 0.202 120.175 119.950 0.037 0.000 2.259 328 F HA -0.111 4.397 4.527 -0.032 0.000 0.298 328 F C 2.392 178.211 175.800 0.032 0.000 1.088 328 F CA 0.817 58.835 58.000 0.030 0.000 1.358 328 F CB -1.218 37.797 39.000 0.026 0.000 1.040 328 F HN -0.090 nan 8.300 nan 0.000 0.505 329 V N 0.615 120.646 119.914 0.195 0.000 2.343 329 V HA -0.232 3.869 4.120 -0.032 0.000 0.247 329 V C 2.093 178.274 176.094 0.146 0.000 1.051 329 V CA 1.768 64.156 62.300 0.147 0.000 1.036 329 V CB -0.555 31.326 31.823 0.097 0.000 0.654 329 V HN 0.378 nan 8.190 nan 0.000 0.451 330 L N -0.198 121.100 121.223 0.125 0.000 2.012 330 L HA -0.231 4.090 4.340 -0.032 0.000 0.210 330 L C 2.991 179.874 176.870 0.023 0.000 1.073 330 L CA 2.428 57.290 54.840 0.037 0.000 0.748 330 L CB -0.702 41.305 42.059 -0.087 0.000 0.891 330 L HN 0.401 nan 8.230 nan 0.000 0.431 331 Q N -0.130 119.696 119.800 0.044 0.000 2.061 331 Q HA -0.247 4.074 4.340 -0.032 0.000 0.204 331 Q C 2.243 178.277 176.000 0.057 0.000 0.984 331 Q CA 1.654 57.490 55.803 0.055 0.000 0.846 331 Q CB -0.044 28.766 28.738 0.119 0.000 0.902 331 Q HN 0.507 nan 8.270 nan 0.000 0.421 332 K N 0.319 120.766 120.400 0.077 0.000 2.103 332 K HA -0.043 4.258 4.320 -0.032 0.000 0.204 332 K C 2.150 178.773 176.600 0.038 0.000 1.052 332 K CA 0.617 56.938 56.287 0.057 0.000 0.945 332 K CB -0.057 32.480 32.500 0.063 0.000 0.722 332 K HN 0.177 nan 8.250 nan 0.000 0.443 333 L N 1.241 122.491 121.223 0.045 0.000 2.079 333 L HA -0.188 4.133 4.340 -0.032 0.000 0.210 333 L C 2.256 179.129 176.870 0.005 0.000 1.081 333 L CA 1.044 55.903 54.840 0.033 0.000 0.752 333 L CB -0.428 41.667 42.059 0.059 0.000 0.896 333 L HN 0.182 nan 8.230 nan 0.000 0.433 334 L N -0.542 120.678 121.223 -0.006 0.000 2.187 334 L HA -0.218 4.103 4.340 -0.032 0.000 0.213 334 L C 2.655 179.516 176.870 -0.017 0.000 1.100 334 L CA 1.770 56.596 54.840 -0.025 0.000 0.765 334 L CB -1.059 40.984 42.059 -0.026 0.000 0.904 334 L HN 0.467 nan 8.230 nan 0.000 0.437 335 T N -4.279 110.274 114.554 -0.003 0.000 3.035 335 T HA -0.049 4.282 4.350 -0.032 0.000 0.268 335 T C 1.304 176.002 174.700 -0.003 0.000 1.109 335 T CA 1.470 63.570 62.100 -0.001 0.000 1.119 335 T CB -0.179 68.692 68.868 0.006 0.000 0.900 335 T HN 0.431 nan 8.240 nan 0.000 0.503 336 N N -0.399 118.299 118.700 -0.003 0.000 2.419 336 N HA 0.391 5.112 4.740 -0.032 0.000 0.216 336 N C 1.434 176.941 175.510 -0.005 0.000 1.118 336 N CA 0.017 53.066 53.050 -0.001 0.000 0.850 336 N CB 0.119 38.609 38.487 0.006 0.000 1.292 336 N HN 0.123 nan 8.380 nan 0.000 0.467 337 I N 1.878 122.440 120.570 -0.013 0.000 2.181 337 I HA -0.367 3.784 4.170 -0.032 0.000 0.247 337 I C 2.170 178.264 176.117 -0.038 0.000 1.081 337 I CA 1.280 62.565 61.300 -0.025 0.000 1.340 337 I CB -0.006 37.964 38.000 -0.050 0.000 1.036 337 I HN 0.204 nan 8.210 nan 0.000 0.417 338 A N 0.639 123.431 122.820 -0.047 0.000 1.883 338 A HA -0.345 3.956 4.320 -0.032 0.000 0.217 338 A C 1.921 179.502 177.584 -0.005 0.000 1.186 338 A CA 2.413 54.426 52.037 -0.041 0.000 0.624 338 A CB -1.189 17.788 19.000 -0.038 0.000 0.822 338 A HN 0.733 nan 8.150 nan 0.000 0.444 339 D N -0.451 119.951 120.400 0.003 0.000 2.219 339 D HA 0.086 4.707 4.640 -0.032 0.000 0.205 339 D C 1.667 177.985 176.300 0.030 0.000 0.970 339 D CA 1.373 55.383 54.000 0.017 0.000 0.851 339 D CB -0.168 40.640 40.800 0.013 0.000 0.943 339 D HN 0.347 nan 8.370 nan 0.000 0.488 340 A N 0.265 123.103 122.820 0.031 0.000 2.014 340 A HA 0.296 4.597 4.320 -0.032 0.000 0.218 340 A C 2.299 179.932 177.584 0.082 0.000 1.163 340 A CA 1.344 53.411 52.037 0.049 0.000 0.652 340 A CB -0.548 18.481 19.000 0.049 0.000 0.808 340 A HN 0.406 nan 8.150 nan 0.000 0.449 341 A N -0.141 122.728 122.820 0.083 0.000 2.348 341 A HA 0.282 4.583 4.320 -0.032 0.000 0.224 341 A C 0.749 178.424 177.584 0.152 0.000 1.227 341 A CA 0.228 52.354 52.037 0.149 0.000 0.885 341 A CB -0.236 18.839 19.000 0.125 0.000 0.933 341 A HN 0.406 nan 8.150 nan 0.000 0.506 342 K N 0.204 120.661 120.400 0.094 0.000 2.250 342 K HA 0.457 4.758 4.320 -0.032 0.000 0.277 342 K C 0.629 177.285 176.600 0.093 0.000 1.091 342 K CA 0.667 57.003 56.287 0.082 0.000 1.046 342 K CB -0.560 31.970 32.500 0.051 0.000 0.982 342 K HN 0.510 nan 8.250 nan 0.000 0.429 343 G N 1.671 110.543 108.800 0.120 0.000 3.272 343 G HA2 -0.183 3.758 3.960 -0.032 0.000 0.219 343 G HA3 -0.183 3.758 3.960 -0.032 0.000 0.219 343 G C -1.126 173.858 174.900 0.140 0.000 0.952 343 G CA -0.612 44.550 45.100 0.104 0.000 0.833 343 G HN 0.570 nan 8.290 nan 0.000 0.608 344 Y N 2.511 122.859 120.300 0.081 0.000 2.436 344 Y HA 0.617 5.148 4.550 -0.031 0.000 0.336 344 Y C 0.346 176.293 175.900 0.078 0.000 1.049 344 Y CA -0.963 57.199 58.100 0.102 0.000 1.294 344 Y CB 0.988 39.579 38.460 0.218 0.000 1.179 344 Y HN 0.098 nan 8.280 nan 0.000 0.520 345 K N 8.825 128.888 120.400 -0.563 0.000 2.264 345 K HA 0.453 4.754 4.320 -0.032 0.000 0.277 345 K C -2.954 173.107 176.600 -0.900 0.000 1.067 345 K CA -2.159 53.823 56.287 -0.508 0.000 0.900 345 K CB 0.755 33.111 32.500 -0.239 0.000 1.124 345 K HN 0.359 nan 8.250 nan 0.000 0.469 346 P HA -0.093 nan 4.420 nan 0.000 0.258 346 P C -0.821 176.375 177.300 -0.173 0.000 1.187 346 P CA -0.101 62.762 63.100 -0.395 0.000 0.767 346 P CB 0.456 32.120 31.700 -0.059 0.000 0.770 347 V N 3.457 123.347 119.914 -0.040 0.000 2.775 347 V HA 0.345 4.446 4.120 -0.032 0.000 0.299 347 V C 0.913 177.044 176.094 0.060 0.000 1.062 347 V CA -0.617 61.700 62.300 0.028 0.000 1.063 347 V CB 0.858 32.734 31.823 0.089 0.000 0.994 347 V HN 0.603 nan 8.190 nan 0.000 0.483 348 A N 3.943 126.785 122.820 0.038 0.000 2.425 348 A HA 0.493 4.794 4.320 -0.032 0.000 0.249 348 A C -0.195 177.424 177.584 0.057 0.000 1.084 348 A CA -0.044 52.016 52.037 0.038 0.000 0.781 348 A CB 0.491 19.506 19.000 0.025 0.000 1.019 348 A HN 0.654 nan 8.150 nan 0.000 0.490 349 V N 4.259 124.201 119.914 0.046 0.000 2.612 349 V HA 0.422 4.523 4.120 -0.032 0.000 0.301 349 V C -1.860 174.252 176.094 0.030 0.000 1.046 349 V CA -1.577 60.744 62.300 0.035 0.000 0.946 349 V CB 1.552 33.366 31.823 -0.015 0.000 1.003 349 V HN 0.935 nan 8.190 nan 0.000 0.459 350 P HA 0.195 nan 4.420 nan 0.000 0.265 350 P C -0.532 176.774 177.300 0.010 0.000 1.193 350 P CA -0.032 63.091 63.100 0.038 0.000 0.765 350 P CB 0.426 32.166 31.700 0.067 0.000 0.823 351 A N 3.987 126.816 122.820 0.016 0.000 2.445 351 A HA 0.225 4.526 4.320 -0.032 0.000 0.242 351 A C 0.488 178.080 177.584 0.014 0.000 1.075 351 A CA -0.260 51.786 52.037 0.015 0.000 0.777 351 A CB -0.033 18.976 19.000 0.016 0.000 1.013 351 A HN 0.444 nan 8.150 nan 0.000 0.493 352 R N 0.678 121.191 120.500 0.022 0.000 2.643 352 R HA 0.317 4.638 4.340 -0.032 0.000 0.270 352 R C 0.393 176.705 176.300 0.019 0.000 1.061 352 R CA 0.283 56.401 56.100 0.030 0.000 1.107 352 R CB -0.072 30.256 30.300 0.047 0.000 0.999 352 R HN 0.708 nan 8.270 nan 0.000 0.460 353 T N 5.314 119.877 114.554 0.016 0.000 2.934 353 T HA 0.105 4.436 4.350 -0.032 0.000 0.306 353 T C -1.829 172.873 174.700 0.004 0.000 1.042 353 T CA -0.641 61.464 62.100 0.008 0.000 1.145 353 T CB 0.193 69.062 68.868 0.001 0.000 0.982 353 T HN 0.426 nan 8.240 nan 0.000 0.544 354 P HA 0.390 nan 4.420 nan 0.000 0.274 354 P C -0.463 176.830 177.300 -0.013 0.000 1.237 354 P CA -0.675 62.426 63.100 0.001 0.000 0.793 354 P CB 0.416 32.120 31.700 0.008 0.000 0.977 355 A N 2.556 125.368 122.820 -0.014 0.000 2.475 355 A HA 0.058 4.359 4.320 -0.032 0.000 0.239 355 A C 0.552 178.116 177.584 -0.033 0.000 1.087 355 A CA -0.120 51.897 52.037 -0.034 0.000 0.779 355 A CB -0.526 18.465 19.000 -0.014 0.000 1.036 355 A HN 0.593 nan 8.150 nan 0.000 0.506 356 N N 0.473 119.129 118.700 -0.073 0.000 2.497 356 N HA 0.358 5.079 4.740 -0.032 0.000 0.268 356 N C 0.159 175.713 175.510 0.073 0.000 1.171 356 N CA 0.637 53.669 53.050 -0.029 0.000 0.948 356 N CB 1.100 39.486 38.487 -0.168 0.000 1.069 356 N HN 0.777 nan 8.380 nan 0.000 0.460 357 A N 1.725 124.606 122.820 0.103 0.000 2.488 357 A HA 0.417 4.718 4.320 -0.032 0.000 0.249 357 A C 0.649 178.321 177.584 0.146 0.000 1.083 357 A CA -0.519 51.578 52.037 0.100 0.000 0.768 357 A CB -0.089 18.964 19.000 0.088 0.000 1.017 357 A HN 0.753 nan 8.150 nan 0.000 0.496 358 A N 1.927 124.819 122.820 0.120 0.000 2.587 358 A HA 0.439 4.740 4.320 -0.032 0.000 0.235 358 A C 0.520 178.164 177.584 0.100 0.000 1.044 358 A CA 0.769 52.881 52.037 0.125 0.000 0.754 358 A CB -0.582 18.470 19.000 0.086 0.000 0.968 358 A HN 2.227 nan 8.150 nan 0.000 0.509 359 V N -0.358 119.609 119.914 0.089 0.000 3.159 359 V HA 0.794 4.895 4.120 -0.032 0.000 0.308 359 V C -2.807 173.283 176.094 -0.005 0.000 1.190 359 V CA -2.200 60.112 62.300 0.020 0.000 1.037 359 V CB 1.238 33.041 31.823 -0.033 0.000 1.060 359 V HN 0.775 nan 8.190 nan 0.000 0.437 360 P HA 0.338 nan 4.420 nan 0.000 0.268 360 P C 0.820 178.086 177.300 -0.056 0.000 1.204 360 P CA 0.340 63.423 63.100 -0.029 0.000 0.768 360 P CB 1.157 32.838 31.700 -0.032 0.000 0.842 361 A N 2.705 125.504 122.820 -0.036 0.000 2.084 361 A HA -0.161 4.140 4.320 -0.032 0.000 0.221 361 A C 1.754 179.297 177.584 -0.069 0.000 1.161 361 A CA 1.833 53.844 52.037 -0.042 0.000 0.653 361 A CB -1.080 17.912 19.000 -0.014 0.000 0.802 361 A HN 0.583 nan 8.150 nan 0.000 0.457 362 S N -0.169 115.492 115.700 -0.066 0.000 2.593 362 S HA 0.067 4.518 4.470 -0.032 0.000 0.217 362 S C 0.561 175.103 174.600 -0.098 0.000 0.966 362 S CA 0.211 58.370 58.200 -0.068 0.000 0.914 362 S CB -0.335 62.837 63.200 -0.047 0.000 0.776 362 S HN 0.504 nan 8.310 nan 0.000 0.523 363 T N 5.100 119.569 114.554 -0.142 0.000 2.853 363 T HA 0.212 4.542 4.350 -0.032 0.000 0.298 363 T C -2.576 171.985 174.700 -0.232 0.000 0.978 363 T CA -0.970 61.016 62.100 -0.190 0.000 1.152 363 T CB 0.307 69.013 68.868 -0.270 0.000 0.914 363 T HN 0.086 nan 8.240 nan 0.000 0.539 364 P HA 0.132 nan 4.420 nan 0.000 0.268 364 P C -0.040 177.124 177.300 -0.228 0.000 1.205 364 P CA -0.505 62.504 63.100 -0.153 0.000 0.771 364 P CB 0.489 32.133 31.700 -0.093 0.000 0.858 365 L N 3.968 125.077 121.223 -0.189 0.000 2.410 365 L HA 0.167 4.488 4.340 -0.032 0.000 0.273 365 L C 0.390 177.187 176.870 -0.121 0.000 1.152 365 L CA 0.212 54.928 54.840 -0.206 0.000 0.855 365 L CB 0.186 42.181 42.059 -0.106 0.000 1.129 365 L HN 0.273 nan 8.230 nan 0.000 0.463 366 K N 4.262 124.605 120.400 -0.096 0.000 2.375 366 K HA 0.244 4.545 4.320 -0.032 0.000 0.249 366 K C 0.216 176.806 176.600 -0.018 0.000 0.942 366 K CA -0.770 55.502 56.287 -0.026 0.000 0.806 366 K CB 2.095 34.601 32.500 0.011 0.000 1.227 366 K HN 0.582 nan 8.250 nan 0.000 0.430 367 Q N 0.877 120.672 119.800 -0.008 0.000 2.045 367 Q HA -0.258 4.063 4.340 -0.032 0.000 0.206 367 Q C 1.388 177.397 176.000 0.015 0.000 0.991 367 Q CA 1.946 57.729 55.803 -0.034 0.000 0.851 367 Q CB 0.055 28.905 28.738 0.186 0.000 0.911 367 Q HN 0.529 nan 8.270 nan 0.000 0.418 368 E N 0.290 120.567 120.200 0.129 0.000 2.086 368 E HA -0.221 4.109 4.350 -0.032 0.000 0.200 368 E C 1.423 178.067 176.600 0.073 0.000 1.012 368 E CA 1.688 58.170 56.400 0.136 0.000 0.812 368 E CB -0.472 29.295 29.700 0.112 0.000 0.743 368 E HN 0.494 nan 8.360 nan 0.000 0.453 369 W N 0.115 121.341 121.300 -0.123 0.000 2.418 369 W HA -0.051 4.590 4.660 -0.032 0.000 0.292 369 W C 2.326 178.654 176.519 -0.319 0.000 1.213 369 W CA 1.816 59.059 57.345 -0.170 0.000 1.283 369 W CB -0.294 29.067 29.460 -0.165 0.000 1.119 369 W HN 0.146 nan 8.180 nan 0.000 0.542 370 M N -0.393 119.077 119.600 -0.217 0.000 2.059 370 M HA -0.196 4.265 4.480 -0.032 0.000 0.259 370 M C 1.892 177.703 176.300 -0.814 0.000 1.072 370 M CA 2.623 57.468 55.300 -0.759 0.000 1.117 370 M CB -0.875 31.161 32.600 -0.940 0.000 1.320 370 M HN 0.147 nan 8.290 nan 0.000 0.408 371 W N 0.507 121.600 121.300 -0.344 0.000 2.350 371 W HA -0.208 4.433 4.660 -0.031 0.000 0.289 371 W C 2.236 178.599 176.519 -0.259 0.000 1.215 371 W CA 0.847 58.019 57.345 -0.288 0.000 1.236 371 W CB -0.827 28.509 29.460 -0.207 0.000 1.130 371 W HN 0.400 nan 8.180 nan 0.000 0.541 372 N N 0.538 119.166 118.700 -0.120 0.000 2.135 372 N HA -0.185 4.536 4.740 -0.032 0.000 0.186 372 N C 1.680 177.018 175.510 -0.286 0.000 1.027 372 N CA 1.495 54.438 53.050 -0.179 0.000 0.849 372 N CB -0.494 37.865 38.487 -0.213 0.000 1.002 372 N HN 0.045 nan 8.380 nan 0.000 0.425 373 Q N -0.151 119.307 119.800 -0.571 0.000 2.291 373 Q HA 0.035 4.356 4.340 -0.032 0.000 0.205 373 Q C 1.739 177.681 176.000 -0.098 0.000 0.970 373 Q CA 0.523 56.002 55.803 -0.539 0.000 0.876 373 Q CB -0.315 27.675 28.738 -1.248 0.000 0.935 373 Q HN 0.383 nan 8.270 nan 0.000 0.455 374 L N -0.793 120.408 121.223 -0.036 0.000 2.201 374 L HA 0.040 4.361 4.340 -0.032 0.000 0.212 374 L C 1.848 178.874 176.870 0.260 0.000 1.105 374 L CA 2.061 57.050 54.840 0.248 0.000 0.775 374 L CB -0.837 41.316 42.059 0.156 0.000 0.913 374 L HN 0.253 nan 8.230 nan 0.000 0.440 375 G N -0.958 107.931 108.800 0.148 0.000 2.498 375 G HA2 -0.281 3.660 3.960 -0.032 0.000 0.219 375 G HA3 -0.281 3.660 3.960 -0.032 0.000 0.219 375 G C 1.233 176.206 174.900 0.122 0.000 1.119 375 G CA 0.893 46.075 45.100 0.137 0.000 0.766 375 G HN 0.571 nan 8.290 nan 0.000 0.552 376 N N -0.802 117.984 118.700 0.143 0.000 2.446 376 N HA 0.063 4.784 4.740 -0.032 0.000 0.179 376 N C 1.399 177.035 175.510 0.208 0.000 1.054 376 N CA 0.415 53.551 53.050 0.144 0.000 0.905 376 N CB -0.078 38.482 38.487 0.122 0.000 0.973 376 N HN 0.428 nan 8.380 nan 0.000 0.448 377 F N 1.174 121.184 119.950 0.101 0.000 2.505 377 F HA 0.331 4.839 4.527 -0.032 0.000 0.289 377 F C 0.283 176.099 175.800 0.027 0.000 1.101 377 F CA -0.285 57.757 58.000 0.070 0.000 1.446 377 F CB 0.036 39.090 39.000 0.090 0.000 1.123 377 F HN -0.227 nan 8.300 nan 0.000 0.564 378 L N 2.257 123.370 121.223 -0.182 0.000 2.482 378 L HA 0.157 4.478 4.340 -0.032 0.000 0.273 378 L C -0.061 176.663 176.870 -0.244 0.000 1.228 378 L CA 0.127 54.781 54.840 -0.311 0.000 0.827 378 L CB 0.353 42.366 42.059 -0.077 0.000 1.099 378 L HN 0.331 nan 8.230 nan 0.000 0.494 379 Q N 0.422 120.067 119.800 -0.257 0.000 2.462 379 Q HA 0.353 4.674 4.340 -0.032 0.000 0.285 379 Q C -1.412 174.499 176.000 -0.149 0.000 1.035 379 Q CA -0.961 54.734 55.803 -0.180 0.000 0.799 379 Q CB 1.807 30.421 28.738 -0.207 0.000 1.452 379 Q HN 0.492 nan 8.270 nan 0.000 0.404 380 E N 0.270 120.407 120.200 -0.104 0.000 2.415 380 E HA 0.206 4.536 4.350 -0.032 0.000 0.263 380 E C 0.452 177.001 176.600 -0.085 0.000 0.995 380 E CA 1.364 57.713 56.400 -0.084 0.000 0.915 380 E CB 0.528 30.193 29.700 -0.058 0.000 0.951 380 E HN 0.966 nan 8.360 nan 0.000 0.449 381 G N 3.337 112.090 108.800 -0.079 0.000 2.175 381 G HA2 -0.215 3.726 3.960 -0.032 0.000 0.244 381 G HA3 -0.215 3.726 3.960 -0.032 0.000 0.244 381 G C 0.043 174.897 174.900 -0.078 0.000 0.982 381 G CA 0.035 45.098 45.100 -0.062 0.000 0.641 381 G HN 0.544 nan 8.290 nan 0.000 0.527 382 D N -0.107 120.219 120.400 -0.122 0.000 2.357 382 D HA 0.486 5.107 4.640 -0.032 0.000 0.242 382 D C 0.505 176.745 176.300 -0.099 0.000 1.153 382 D CA 0.057 53.978 54.000 -0.132 0.000 0.918 382 D CB 1.628 42.303 40.800 -0.208 0.000 1.181 382 D HN 0.154 nan 8.370 nan 0.000 0.435 383 V N 2.138 122.021 119.914 -0.051 0.000 2.347 383 V HA 0.283 4.384 4.120 -0.032 0.000 0.280 383 V C -0.023 176.077 176.094 0.011 0.000 1.021 383 V CA -0.688 61.615 62.300 0.005 0.000 0.847 383 V CB 1.639 33.464 31.823 0.003 0.000 0.990 383 V HN 0.208 nan 8.190 nan 0.000 0.444 384 V N 6.944 126.858 119.914 -0.001 0.000 2.384 384 V HA 0.526 4.626 4.120 -0.032 0.000 0.287 384 V C -0.199 176.001 176.094 0.176 0.000 1.020 384 V CA -0.378 61.968 62.300 0.077 0.000 0.850 384 V CB 1.736 33.538 31.823 -0.035 0.000 0.987 384 V HN 0.682 nan 8.190 nan 0.000 0.436 385 I N 4.184 124.890 120.570 0.227 0.000 2.378 385 I HA 0.769 4.920 4.170 -0.032 0.000 0.291 385 I C 0.174 176.469 176.117 0.296 0.000 0.992 385 I CA -0.495 60.938 61.300 0.220 0.000 1.154 385 I CB 1.872 39.954 38.000 0.137 0.000 1.315 385 I HN 0.664 nan 8.210 nan 0.000 0.448 386 A N 4.970 127.942 122.820 0.253 0.000 2.330 386 A HA 0.632 4.933 4.320 -0.032 0.000 0.313 386 A C -0.556 177.143 177.584 0.192 0.000 1.124 386 A CA -0.551 51.640 52.037 0.257 0.000 0.774 386 A CB 1.397 20.481 19.000 0.141 0.000 1.198 386 A HN 0.687 nan 8.150 nan 0.000 0.465 387 E N 1.233 121.557 120.200 0.208 0.000 2.374 387 E HA 0.382 4.713 4.350 -0.032 0.000 0.260 387 E C -0.010 176.660 176.600 0.117 0.000 1.101 387 E CA 0.076 56.575 56.400 0.165 0.000 0.907 387 E CB 0.569 30.364 29.700 0.158 0.000 1.014 387 E HN 0.540 nan 8.360 nan 0.000 0.427 388 T N 2.590 117.196 114.554 0.087 0.000 2.831 388 T HA 0.473 4.804 4.350 -0.032 0.000 0.291 388 T C 0.219 174.974 174.700 0.092 0.000 0.981 388 T CA 0.851 62.984 62.100 0.055 0.000 1.174 388 T CB -0.122 68.753 68.868 0.011 0.000 0.929 388 T HN 0.699 nan 8.240 nan 0.000 0.532 389 G N 2.746 111.637 108.800 0.152 0.000 2.291 389 G HA2 0.056 3.997 3.960 -0.032 0.000 0.249 389 G HA3 0.056 3.997 3.960 -0.032 0.000 0.249 389 G C 0.947 176.006 174.900 0.265 0.000 1.340 389 G CA 0.201 45.408 45.100 0.178 0.000 1.017 389 G HN 0.666 nan 8.290 nan 0.000 0.470 390 T N -1.327 113.356 114.554 0.214 0.000 2.788 390 T HA -0.045 4.286 4.350 -0.032 0.000 0.268 390 T C 2.391 177.193 174.700 0.169 0.000 1.044 390 T CA 2.751 64.979 62.100 0.213 0.000 1.139 390 T CB -0.581 68.416 68.868 0.215 0.000 0.867 390 T HN 0.693 nan 8.240 nan 0.000 0.454 391 S N 2.022 117.839 115.700 0.195 0.000 2.359 391 S HA -0.052 4.399 4.470 -0.032 0.000 0.223 391 S C 2.615 177.066 174.600 -0.249 0.000 1.039 391 S CA 1.353 59.599 58.200 0.076 0.000 1.042 391 S CB -0.968 62.406 63.200 0.289 0.000 0.915 391 S HN 0.808 nan 8.310 nan 0.000 0.439 392 A N 0.267 123.025 122.820 -0.103 0.000 1.969 392 A HA 0.024 4.325 4.320 -0.032 0.000 0.218 392 A C 1.846 179.182 177.584 -0.413 0.000 1.169 392 A CA 1.172 53.071 52.037 -0.230 0.000 0.635 392 A CB -0.727 18.161 19.000 -0.186 0.000 0.810 392 A HN 0.467 nan 8.150 nan 0.000 0.445 393 F N 0.173 119.967 119.950 -0.260 0.000 2.128 393 F HA 0.047 4.555 4.527 -0.032 0.000 0.295 393 F C 2.690 178.203 175.800 -0.479 0.000 1.100 393 F CA 1.183 59.022 58.000 -0.268 0.000 1.260 393 F CB -0.934 37.967 39.000 -0.164 0.000 1.009 393 F HN 0.271 nan 8.300 nan 0.000 0.476 394 G N 0.061 108.455 108.800 -0.677 0.000 2.446 394 G HA2 -0.287 3.654 3.960 -0.032 0.000 0.217 394 G HA3 -0.287 3.654 3.960 -0.032 0.000 0.217 394 G C 1.667 175.746 174.900 -1.368 0.000 1.168 394 G CA 0.970 45.115 45.100 -1.592 0.000 0.771 394 G HN 0.278 nan 8.290 nan 0.000 0.551 395 I N 1.643 121.487 120.570 -1.209 0.000 2.399 395 I HA -0.167 3.984 4.170 -0.032 0.000 0.254 395 I C 2.025 177.902 176.117 -0.401 0.000 1.146 395 I CA 0.915 61.849 61.300 -0.608 0.000 1.412 395 I CB -0.189 37.604 38.000 -0.345 0.000 1.076 395 I HN 0.090 nan 8.210 nan 0.000 0.432 396 N N 0.146 118.617 118.700 -0.381 0.000 2.453 396 N HA -0.149 4.571 4.740 -0.032 0.000 0.183 396 N C 1.431 176.804 175.510 -0.227 0.000 1.041 396 N CA 0.858 53.736 53.050 -0.287 0.000 0.900 396 N CB -0.111 38.239 38.487 -0.229 0.000 0.961 396 N HN 0.622 nan 8.380 nan 0.000 0.443 397 Q N -0.274 119.396 119.800 -0.216 0.000 2.392 397 Q HA 0.096 4.417 4.340 -0.032 0.000 0.203 397 Q C -0.041 175.917 176.000 -0.070 0.000 0.917 397 Q CA 0.377 56.115 55.803 -0.109 0.000 0.939 397 Q CB 0.462 29.169 28.738 -0.052 0.000 1.063 397 Q HN 0.110 nan 8.270 nan 0.000 0.516 398 T N 1.329 115.820 114.554 -0.106 0.000 2.882 398 T HA 0.225 4.556 4.350 -0.032 0.000 0.287 398 T C -0.043 174.563 174.700 -0.156 0.000 0.992 398 T CA -0.232 61.842 62.100 -0.044 0.000 1.076 398 T CB 1.548 70.461 68.868 0.075 0.000 0.961 398 T HN -0.083 nan 8.240 nan 0.000 0.490 399 T N 4.192 118.721 114.554 -0.042 0.000 2.771 399 T HA 0.456 4.787 4.350 -0.032 0.000 0.291 399 T C -0.395 174.356 174.700 0.084 0.000 0.954 399 T CA -0.407 61.667 62.100 -0.043 0.000 1.045 399 T CB -0.005 68.870 68.868 0.012 0.000 0.917 399 T HN 0.239 nan 8.240 nan 0.000 0.484 400 F N 3.645 123.547 119.950 -0.080 0.000 2.377 400 F HA 0.468 4.976 4.527 -0.032 0.000 0.328 400 F C -1.890 173.853 175.800 -0.096 0.000 1.094 400 F CA -3.028 54.924 58.000 -0.079 0.000 1.093 400 F CB 0.385 39.321 39.000 -0.108 0.000 1.214 400 F HN 0.324 nan 8.300 nan 0.000 0.518 401 P HA 0.076 nan 4.420 nan 0.000 0.273 401 P C -0.421 176.878 177.300 -0.002 0.000 1.250 401 P CA -0.346 62.762 63.100 0.013 0.000 0.793 401 P CB 0.517 32.202 31.700 -0.026 0.000 1.011 402 N N 0.722 119.406 118.700 -0.027 0.000 2.326 402 N HA -0.003 4.718 4.740 -0.032 0.000 0.239 402 N C 0.260 175.745 175.510 -0.042 0.000 1.301 402 N CA 0.264 53.293 53.050 -0.035 0.000 0.909 402 N CB -0.971 37.496 38.487 -0.033 0.000 1.156 402 N HN 0.429 nan 8.380 nan 0.000 0.462 403 N N -1.583 117.093 118.700 -0.039 0.000 2.727 403 N HA -0.180 4.541 4.740 -0.032 0.000 0.249 403 N C -1.321 174.154 175.510 -0.058 0.000 1.048 403 N CA 0.782 53.810 53.050 -0.037 0.000 0.714 403 N CB -0.662 37.806 38.487 -0.032 0.000 0.959 403 N HN 0.399 nan 8.380 nan 0.000 0.544 404 T N 0.904 115.398 114.554 -0.099 0.000 2.795 404 T HA 0.238 4.569 4.350 -0.032 0.000 0.282 404 T C -0.591 174.003 174.700 -0.176 0.000 0.980 404 T CA -0.242 61.727 62.100 -0.219 0.000 1.012 404 T CB 0.913 69.478 68.868 -0.506 0.000 0.936 404 T HN 0.184 nan 8.240 nan 0.000 0.457 405 Y N 2.334 122.505 120.300 -0.215 0.000 2.353 405 Y HA 0.558 5.089 4.550 -0.032 0.000 0.340 405 Y C 0.440 176.259 175.900 -0.136 0.000 0.972 405 Y CA -0.642 57.384 58.100 -0.124 0.000 1.157 405 Y CB 0.674 39.086 38.460 -0.080 0.000 1.157 405 Y HN 0.790 nan 8.280 nan 0.000 0.495 406 G N 6.131 114.836 108.800 -0.157 0.000 2.389 406 G HA2 0.625 4.566 3.960 -0.032 0.000 0.328 406 G HA3 0.625 4.566 3.960 -0.032 0.000 0.328 406 G C -1.378 173.603 174.900 0.135 0.000 1.133 406 G CA -0.711 44.416 45.100 0.046 0.000 0.891 406 G HN 0.646 nan 8.290 nan 0.000 0.485 407 I N 0.812 121.508 120.570 0.210 0.000 2.478 407 I HA 0.443 4.594 4.170 -0.032 0.000 0.287 407 I C -0.386 175.855 176.117 0.206 0.000 1.042 407 I CA -0.538 60.908 61.300 0.244 0.000 1.067 407 I CB 2.393 40.564 38.000 0.285 0.000 1.233 407 I HN 0.429 nan 8.210 nan 0.000 0.431 408 S N 4.675 120.472 115.700 0.161 0.000 2.689 408 S HA 0.179 4.630 4.470 -0.032 0.000 0.274 408 S C -0.602 174.021 174.600 0.038 0.000 1.176 408 S CA -0.493 57.765 58.200 0.097 0.000 1.014 408 S CB 1.429 64.634 63.200 0.009 0.000 1.071 408 S HN 0.669 nan 8.310 nan 0.000 0.478 409 Q N 4.658 124.462 119.800 0.007 0.000 3.254 409 Q HA 0.163 4.484 4.340 -0.032 0.000 0.315 409 Q C 0.936 176.886 176.000 -0.082 0.000 1.405 409 Q CA -0.159 55.567 55.803 -0.130 0.000 0.966 409 Q CB -0.233 28.225 28.738 -0.466 0.000 1.706 409 Q HN 0.723 nan 8.270 nan 0.000 0.525 410 V N 1.613 121.485 119.914 -0.069 0.000 2.343 410 V HA -0.302 3.799 4.120 -0.032 0.000 0.247 410 V C 1.964 178.033 176.094 -0.043 0.000 1.051 410 V CA 1.585 63.834 62.300 -0.086 0.000 1.036 410 V CB -0.510 31.246 31.823 -0.112 0.000 0.654 410 V HN 0.659 nan 8.190 nan 0.000 0.451 411 L N -1.258 119.969 121.223 0.007 0.000 2.034 411 L HA -0.101 4.220 4.340 -0.032 0.000 0.203 411 L C 2.385 179.336 176.870 0.133 0.000 1.074 411 L CA 1.968 56.848 54.840 0.066 0.000 0.748 411 L CB -0.311 41.810 42.059 0.103 0.000 0.905 411 L HN 0.539 nan 8.230 nan 0.000 0.439 412 W N 1.132 122.378 121.300 -0.090 0.000 2.378 412 W HA -0.127 4.513 4.660 -0.033 0.000 0.313 412 W C 1.131 177.599 176.519 -0.086 0.000 1.197 412 W CA 1.408 58.700 57.345 -0.088 0.000 1.304 412 W CB -0.167 29.226 29.460 -0.112 0.000 1.148 412 W HN 0.472 nan 8.180 nan 0.000 0.494 413 G N 1.632 110.366 108.800 -0.109 0.000 2.350 413 G HA2 -0.283 3.658 3.960 -0.032 0.000 0.298 413 G HA3 -0.283 3.658 3.960 -0.032 0.000 0.298 413 G C -0.176 174.585 174.900 -0.232 0.000 1.037 413 G CA 0.572 45.574 45.100 -0.164 0.000 1.074 413 G HN 0.312 nan 8.290 nan 0.000 0.511 414 S N 0.036 115.623 115.700 -0.188 0.000 2.399 414 S HA 0.575 5.026 4.470 -0.032 0.000 0.301 414 S C 0.981 175.579 174.600 -0.003 0.000 1.093 414 S CA -0.488 57.656 58.200 -0.093 0.000 1.077 414 S CB -0.099 63.191 63.200 0.149 0.000 0.980 414 S HN 1.178 nan 8.310 nan 0.000 0.494 415 I N 2.790 123.351 120.570 -0.015 0.000 2.588 415 I HA 0.636 4.787 4.170 -0.032 0.000 0.283 415 I C 1.174 177.322 176.117 0.052 0.000 1.119 415 I CA 0.570 61.877 61.300 0.010 0.000 1.419 415 I CB 0.308 38.286 38.000 -0.037 0.000 1.394 415 I HN 0.788 nan 8.210 nan 0.000 0.562 416 G N 4.697 113.522 108.800 0.042 0.000 2.259 416 G HA2 -0.344 3.597 3.960 -0.032 0.000 0.217 416 G HA3 -0.344 3.597 3.960 -0.032 0.000 0.217 416 G C 0.465 175.281 174.900 -0.139 0.000 1.001 416 G CA 0.400 45.538 45.100 0.062 0.000 0.627 416 G HN 0.859 nan 8.290 nan 0.000 0.501 417 F N 3.319 122.912 119.950 -0.596 0.000 2.115 417 F HA -0.144 4.364 4.527 -0.031 0.000 0.300 417 F C 2.792 178.341 175.800 -0.418 0.000 1.092 417 F CA 3.306 60.670 58.000 -1.060 0.000 1.245 417 F CB -0.562 38.035 39.000 -0.672 0.000 0.995 417 F HN 0.378 nan 8.300 nan 0.000 0.481 418 T N -3.049 111.266 114.554 -0.398 0.000 2.833 418 T HA -0.165 4.166 4.350 -0.032 0.000 0.269 418 T C 1.814 176.372 174.700 -0.236 0.000 1.054 418 T CA 1.698 63.594 62.100 -0.340 0.000 1.135 418 T CB -1.244 67.607 68.868 -0.028 0.000 0.869 418 T HN 0.362 nan 8.240 nan 0.000 0.466 419 T N 1.416 115.896 114.554 -0.123 0.000 2.777 419 T HA 0.091 4.422 4.350 -0.032 0.000 0.266 419 T C 2.329 176.990 174.700 -0.065 0.000 1.040 419 T CA 1.167 63.246 62.100 -0.036 0.000 1.141 419 T CB -1.003 67.897 68.868 0.053 0.000 0.868 419 T HN 0.586 nan 8.240 nan 0.000 0.444 420 G N 1.174 109.933 108.800 -0.068 0.000 2.394 420 G HA2 0.042 3.983 3.960 -0.032 0.000 0.214 420 G HA3 0.042 3.983 3.960 -0.032 0.000 0.214 420 G C 1.875 176.667 174.900 -0.180 0.000 1.176 420 G CA 0.732 45.807 45.100 -0.041 0.000 0.786 420 G HN 0.572 nan 8.290 nan 0.000 0.533 421 A N 0.403 122.990 122.820 -0.388 0.000 1.978 421 A HA -0.035 4.266 4.320 -0.032 0.000 0.220 421 A C 2.506 179.962 177.584 -0.213 0.000 1.170 421 A CA 2.455 54.242 52.037 -0.417 0.000 0.636 421 A CB -0.915 17.530 19.000 -0.924 0.000 0.810 421 A HN 0.302 nan 8.150 nan 0.000 0.448 422 T N 0.307 114.758 114.554 -0.172 0.000 2.746 422 T HA -0.115 4.216 4.350 -0.032 0.000 0.267 422 T C 1.848 176.502 174.700 -0.076 0.000 1.039 422 T CA 1.228 63.278 62.100 -0.084 0.000 1.142 422 T CB -0.311 68.530 68.868 -0.045 0.000 0.866 422 T HN 0.363 nan 8.240 nan 0.000 0.444 423 L N 1.141 122.313 121.223 -0.085 0.000 2.017 423 L HA -0.042 4.279 4.340 -0.032 0.000 0.208 423 L C 2.605 179.479 176.870 0.007 0.000 1.073 423 L CA 2.264 57.048 54.840 -0.095 0.000 0.745 423 L CB -1.449 40.582 42.059 -0.047 0.000 0.894 423 L HN 0.390 nan 8.230 nan 0.000 0.432 424 G N -0.778 108.042 108.800 0.033 0.000 2.418 424 G HA2 -0.244 3.697 3.960 -0.032 0.000 0.217 424 G HA3 -0.244 3.697 3.960 -0.032 0.000 0.217 424 G C 1.657 176.703 174.900 0.243 0.000 1.158 424 G CA 0.840 46.055 45.100 0.192 0.000 0.771 424 G HN 0.589 nan 8.290 nan 0.000 0.545 425 A N 0.918 123.769 122.820 0.053 0.000 1.969 425 A HA 0.367 4.668 4.320 -0.032 0.000 0.218 425 A C 2.739 180.326 177.584 0.005 0.000 1.169 425 A CA 2.017 54.048 52.037 -0.010 0.000 0.635 425 A CB -0.545 18.425 19.000 -0.050 0.000 0.810 425 A HN 0.683 nan 8.150 nan 0.000 0.445 426 A N -1.064 121.756 122.820 -0.001 0.000 1.897 426 A HA 0.100 4.401 4.320 -0.032 0.000 0.215 426 A C 1.889 179.486 177.584 0.021 0.000 1.181 426 A CA 1.308 53.321 52.037 -0.039 0.000 0.620 426 A CB -0.674 18.256 19.000 -0.117 0.000 0.821 426 A HN 0.390 nan 8.150 nan 0.000 0.443 427 F N 0.452 120.456 119.950 0.091 0.000 2.095 427 F HA -0.155 4.353 4.527 -0.032 0.000 0.298 427 F C 2.836 178.708 175.800 0.119 0.000 1.104 427 F CA 0.796 58.867 58.000 0.119 0.000 1.232 427 F CB -0.905 38.234 39.000 0.231 0.000 0.987 427 F HN 0.266 nan 8.300 nan 0.000 0.475 428 A N -0.311 122.660 122.820 0.253 0.000 1.877 428 A HA -0.043 4.258 4.320 -0.032 0.000 0.216 428 A C 2.433 179.964 177.584 -0.088 0.000 1.186 428 A CA 1.909 53.854 52.037 -0.152 0.000 0.620 428 A CB -1.367 17.349 19.000 -0.473 0.000 0.822 428 A HN 0.315 nan 8.150 nan 0.000 0.443 429 A N -0.329 122.460 122.820 -0.051 0.000 1.902 429 A HA -0.201 4.100 4.320 -0.032 0.000 0.217 429 A C 2.057 179.639 177.584 -0.003 0.000 1.181 429 A CA 1.818 53.829 52.037 -0.044 0.000 0.623 429 A CB -0.604 18.375 19.000 -0.035 0.000 0.818 429 A HN 0.680 nan 8.150 nan 0.000 0.443 430 E N -0.009 120.214 120.200 0.038 0.000 2.160 430 E HA -0.248 4.083 4.350 -0.032 0.000 0.195 430 E C 1.762 178.391 176.600 0.049 0.000 0.991 430 E CA 1.508 57.941 56.400 0.054 0.000 0.810 430 E CB -0.138 29.620 29.700 0.097 0.000 0.742 430 E HN 0.772 nan 8.360 nan 0.000 0.466 431 E N -0.109 120.120 120.200 0.048 0.000 2.152 431 E HA -0.088 4.243 4.350 -0.032 0.000 0.192 431 E C 2.057 178.655 176.600 -0.003 0.000 0.983 431 E CA 0.825 57.241 56.400 0.027 0.000 0.818 431 E CB 0.132 29.849 29.700 0.028 0.000 0.758 431 E HN 0.384 nan 8.360 nan 0.000 0.467 432 I N 0.170 120.726 120.570 -0.023 0.000 2.494 432 I HA -0.023 4.128 4.170 -0.032 0.000 0.250 432 I C 0.357 176.464 176.117 -0.017 0.000 1.112 432 I CA 0.435 61.716 61.300 -0.032 0.000 1.438 432 I CB 0.580 38.546 38.000 -0.056 0.000 1.111 432 I HN -0.041 nan 8.210 nan 0.000 0.431 433 D N -0.649 119.743 120.400 -0.013 0.000 2.548 433 D HA 0.156 4.777 4.640 -0.032 0.000 0.214 433 D C -2.288 174.012 176.300 -0.000 0.000 1.345 433 D CA -1.437 52.559 54.000 -0.007 0.000 0.945 433 D CB 1.608 42.399 40.800 -0.014 0.000 1.499 433 D HN -0.244 nan 8.370 nan 0.000 0.579 434 P HA -0.118 nan 4.420 nan 0.000 0.224 434 P C 0.857 178.163 177.300 0.010 0.000 1.142 434 P CA 0.952 64.060 63.100 0.014 0.000 0.778 434 P CB 0.368 32.080 31.700 0.020 0.000 0.764 435 K N -0.004 120.398 120.400 0.003 0.000 2.356 435 K HA 0.031 4.332 4.320 -0.032 0.000 0.195 435 K C 0.699 177.297 176.600 -0.004 0.000 1.037 435 K CA 0.218 56.505 56.287 0.001 0.000 1.014 435 K CB -0.295 32.202 32.500 -0.005 0.000 0.815 435 K HN -0.130 nan 8.250 nan 0.000 0.507 436 K N 1.835 122.229 120.400 -0.009 0.000 2.447 436 K HA 0.020 4.321 4.320 -0.032 0.000 0.281 436 K C -0.707 175.893 176.600 0.000 0.000 1.031 436 K CA 0.050 56.325 56.287 -0.019 0.000 1.019 436 K CB 0.410 32.895 32.500 -0.026 0.000 0.918 436 K HN 0.106 nan 8.250 nan 0.000 0.476 437 R N 2.486 122.984 120.500 -0.003 0.000 2.404 437 R HA 0.308 4.629 4.340 -0.032 0.000 0.291 437 R C -0.811 175.518 176.300 0.049 0.000 1.025 437 R CA -0.851 55.284 56.100 0.059 0.000 0.991 437 R CB 1.466 31.768 30.300 0.003 0.000 1.053 437 R HN 0.261 nan 8.270 nan 0.000 0.479 438 V N 5.189 125.175 119.914 0.120 0.000 2.378 438 V HA 0.399 4.500 4.120 -0.032 0.000 0.288 438 V C -0.148 176.060 176.094 0.189 0.000 1.016 438 V CA -0.562 61.796 62.300 0.097 0.000 0.840 438 V CB 1.412 33.264 31.823 0.049 0.000 0.994 438 V HN 0.603 nan 8.190 nan 0.000 0.431 439 I N 5.857 126.516 120.570 0.149 0.000 2.406 439 I HA 0.495 4.646 4.170 -0.032 0.000 0.290 439 I C -0.570 175.627 176.117 0.132 0.000 0.999 439 I CA -0.384 61.035 61.300 0.198 0.000 1.124 439 I CB 1.827 39.930 38.000 0.171 0.000 1.289 439 I HN 0.391 nan 8.210 nan 0.000 0.441 440 L N 6.272 127.554 121.223 0.099 0.000 2.342 440 L HA 0.614 4.935 4.340 -0.032 0.000 0.271 440 L C -1.695 175.106 176.870 -0.114 0.000 1.008 440 L CA -0.575 54.304 54.840 0.065 0.000 0.818 440 L CB 2.041 44.154 42.059 0.090 0.000 1.296 440 L HN 0.431 nan 8.230 nan 0.000 0.427 441 F N 5.333 125.473 119.950 0.317 0.000 2.445 441 F HA 0.499 5.006 4.527 -0.032 0.000 0.348 441 F C 0.011 175.972 175.800 0.269 0.000 1.125 441 F CA -0.338 57.873 58.000 0.351 0.000 0.983 441 F CB 1.624 40.885 39.000 0.435 0.000 1.198 441 F HN 0.252 nan 8.300 nan 0.000 0.436 442 I N 2.137 122.911 120.570 0.340 0.000 2.545 442 I HA 0.700 4.851 4.170 -0.032 0.000 0.292 442 I C 0.289 176.531 176.117 0.209 0.000 1.040 442 I CA -0.505 60.937 61.300 0.237 0.000 1.068 442 I CB 1.506 39.596 38.000 0.150 0.000 1.251 442 I HN 0.605 nan 8.210 nan 0.000 0.424 443 G N 3.967 112.877 108.800 0.184 0.000 2.544 443 G HA2 0.052 3.993 3.960 -0.032 0.000 0.242 443 G HA3 0.052 3.993 3.960 -0.032 0.000 0.242 443 G C 0.613 175.572 174.900 0.098 0.000 1.247 443 G CA 0.081 45.274 45.100 0.155 0.000 0.840 443 G HN 0.820 nan 8.290 nan 0.000 0.578 444 D N 0.719 121.165 120.400 0.077 0.000 2.178 444 D HA -0.089 4.532 4.640 -0.032 0.000 0.202 444 D C 2.114 178.440 176.300 0.043 0.000 0.974 444 D CA 1.298 55.324 54.000 0.043 0.000 0.841 444 D CB -0.744 40.124 40.800 0.114 0.000 0.953 444 D HN 0.462 nan 8.370 nan 0.000 0.478 445 G N 0.131 109.002 108.800 0.119 0.000 2.394 445 G HA2 -0.184 3.757 3.960 -0.032 0.000 0.215 445 G HA3 -0.184 3.757 3.960 -0.032 0.000 0.215 445 G C 1.822 176.815 174.900 0.156 0.000 1.165 445 G CA 0.772 46.018 45.100 0.243 0.000 0.784 445 G HN 0.341 nan 8.290 nan 0.000 0.535 446 S N 0.214 115.978 115.700 0.107 0.000 2.383 446 S HA 0.035 4.486 4.470 -0.032 0.000 0.227 446 S C 2.143 176.797 174.600 0.090 0.000 1.026 446 S CA 0.395 58.641 58.200 0.077 0.000 0.981 446 S CB -0.230 63.016 63.200 0.077 0.000 0.818 446 S HN 0.289 nan 8.310 nan 0.000 0.472 447 L N 1.694 122.969 121.223 0.087 0.000 2.042 447 L HA -0.215 4.106 4.340 -0.032 0.000 0.210 447 L C 2.453 179.427 176.870 0.175 0.000 1.076 447 L CA 1.586 56.501 54.840 0.126 0.000 0.749 447 L CB -0.539 41.589 42.059 0.115 0.000 0.893 447 L HN 0.427 nan 8.230 nan 0.000 0.432 448 Q N -0.596 119.227 119.800 0.038 0.000 2.197 448 Q HA -0.255 4.066 4.340 -0.032 0.000 0.207 448 Q C 2.087 178.226 176.000 0.231 0.000 0.984 448 Q CA 1.350 57.159 55.803 0.009 0.000 0.869 448 Q CB -0.123 28.405 28.738 -0.350 0.000 0.906 448 Q HN 0.442 nan 8.270 nan 0.000 0.426 449 L N -0.461 120.870 121.223 0.179 0.000 2.156 449 L HA -0.089 4.232 4.340 -0.032 0.000 0.208 449 L C 1.989 178.994 176.870 0.224 0.000 1.095 449 L CA 1.738 56.696 54.840 0.197 0.000 0.770 449 L CB -0.211 41.953 42.059 0.175 0.000 0.914 449 L HN 0.270 nan 8.230 nan 0.000 0.439 450 T N -6.307 108.384 114.554 0.228 0.000 3.275 450 T HA 0.130 4.461 4.350 -0.032 0.000 0.298 450 T C 1.357 176.180 174.700 0.206 0.000 0.988 450 T CA 0.227 62.457 62.100 0.216 0.000 0.936 450 T CB -0.248 68.764 68.868 0.240 0.000 1.159 450 T HN -0.109 nan 8.240 nan 0.000 0.519 451 V N 2.776 122.857 119.914 0.279 0.000 2.370 451 V HA -0.317 3.783 4.120 -0.032 0.000 0.252 451 V C 2.868 179.117 176.094 0.258 0.000 1.068 451 V CA 2.816 65.324 62.300 0.346 0.000 1.061 451 V CB -0.452 31.706 31.823 0.558 0.000 0.656 451 V HN 0.755 nan 8.190 nan 0.000 0.455 452 Q N -0.414 119.455 119.800 0.116 0.000 2.197 452 Q HA -0.296 4.024 4.340 -0.032 0.000 0.207 452 Q C 1.860 177.740 176.000 -0.200 0.000 0.984 452 Q CA 2.204 57.897 55.803 -0.184 0.000 0.869 452 Q CB -0.787 27.856 28.738 -0.158 0.000 0.906 452 Q HN 0.653 nan 8.270 nan 0.000 0.426 453 E N 0.996 121.177 120.200 -0.032 0.000 2.333 453 E HA -0.023 4.308 4.350 -0.032 0.000 0.198 453 E C 1.861 178.450 176.600 -0.018 0.000 1.007 453 E CA 0.554 56.944 56.400 -0.016 0.000 0.845 453 E CB -0.349 29.371 29.700 0.032 0.000 0.766 453 E HN 0.523 nan 8.360 nan 0.000 0.507 454 I N -0.583 119.992 120.570 0.008 0.000 2.226 454 I HA -0.294 3.857 4.170 -0.032 0.000 0.245 454 I C 2.369 178.495 176.117 0.015 0.000 1.100 454 I CA 1.133 62.479 61.300 0.076 0.000 1.374 454 I CB -0.400 37.745 38.000 0.243 0.000 1.057 454 I HN 0.120 nan 8.210 nan 0.000 0.413 455 S N 0.433 116.024 115.700 -0.181 0.000 2.374 455 S HA -0.231 4.220 4.470 -0.032 0.000 0.227 455 S C 2.005 176.571 174.600 -0.056 0.000 1.037 455 S CA 2.434 60.502 58.200 -0.220 0.000 1.024 455 S CB -0.365 62.541 63.200 -0.490 0.000 0.861 455 S HN 0.481 nan 8.310 nan 0.000 0.456 456 T N 1.859 116.406 114.554 -0.012 0.000 2.915 456 T HA 0.049 4.380 4.350 -0.032 0.000 0.269 456 T C 1.790 176.574 174.700 0.140 0.000 1.071 456 T CA 1.275 63.443 62.100 0.114 0.000 1.132 456 T CB -0.235 68.719 68.868 0.143 0.000 0.878 456 T HN 0.407 nan 8.240 nan 0.000 0.479 457 M N 0.383 120.003 119.600 0.034 0.000 2.099 457 M HA 0.018 4.479 4.480 -0.032 0.000 0.262 457 M C 2.178 178.495 176.300 0.029 0.000 1.067 457 M CA 1.651 56.940 55.300 -0.019 0.000 1.124 457 M CB -0.561 32.021 32.600 -0.029 0.000 1.353 457 M HN 0.196 nan 8.290 nan 0.000 0.410 458 I N 0.374 120.964 120.570 0.034 0.000 2.127 458 I HA -0.362 3.789 4.170 -0.032 0.000 0.241 458 I C 2.654 178.777 176.117 0.009 0.000 1.075 458 I CA 1.726 63.042 61.300 0.027 0.000 1.334 458 I CB -0.660 37.361 38.000 0.035 0.000 1.040 458 I HN 0.337 nan 8.210 nan 0.000 0.405 459 R N 0.585 121.079 120.500 -0.009 0.000 2.117 459 R HA -0.220 4.101 4.340 -0.032 0.000 0.243 459 R C 1.597 177.736 176.300 -0.268 0.000 1.143 459 R CA 2.076 58.092 56.100 -0.139 0.000 0.968 459 R CB -0.899 29.315 30.300 -0.144 0.000 0.863 459 R HN 0.416 nan 8.270 nan 0.000 0.444 460 W N 0.528 121.841 121.300 0.022 0.000 3.278 460 W HA 0.366 5.008 4.660 -0.031 0.000 0.308 460 W C 0.766 177.289 176.519 0.006 0.000 1.253 460 W CA 0.373 57.746 57.345 0.047 0.000 1.759 460 W CB 0.486 30.011 29.460 0.108 0.000 1.093 460 W HN 0.438 nan 8.180 nan 0.000 0.648 461 G N 1.600 110.466 108.800 0.111 0.000 2.273 461 G HA2 -0.310 3.631 3.960 -0.032 0.000 0.280 461 G HA3 -0.310 3.631 3.960 -0.032 0.000 0.280 461 G C -0.044 174.890 174.900 0.057 0.000 1.047 461 G CA -0.174 44.966 45.100 0.067 0.000 0.869 461 G HN 0.188 nan 8.290 nan 0.000 0.502 462 L N -1.408 119.828 121.223 0.022 0.000 2.439 462 L HA 0.593 4.914 4.340 -0.032 0.000 0.261 462 L C 0.854 177.695 176.870 -0.048 0.000 1.153 462 L CA -0.475 54.340 54.840 -0.042 0.000 0.808 462 L CB 1.048 43.013 42.059 -0.156 0.000 1.126 462 L HN 0.093 nan 8.230 nan 0.000 0.460 463 K N 1.374 121.736 120.400 -0.063 0.000 3.237 463 K HA 0.265 4.566 4.320 -0.032 0.000 0.197 463 K C -2.465 174.043 176.600 -0.154 0.000 1.133 463 K CA -1.180 55.042 56.287 -0.108 0.000 0.944 463 K CB 0.262 32.697 32.500 -0.108 0.000 0.952 463 K HN 0.285 nan 8.250 nan 0.000 0.515 464 P HA -0.054 nan 4.420 nan 0.000 0.272 464 P C -0.799 176.436 177.300 -0.109 0.000 1.230 464 P CA -0.093 62.986 63.100 -0.035 0.000 0.788 464 P CB 0.547 32.239 31.700 -0.013 0.000 0.949 465 Y N 1.014 121.304 120.300 -0.017 0.000 2.404 465 Y HA 0.245 4.776 4.550 -0.032 0.000 0.344 465 Y C 0.346 176.211 175.900 -0.059 0.000 0.970 465 Y CA -0.485 57.578 58.100 -0.061 0.000 1.180 465 Y CB 0.665 39.179 38.460 0.090 0.000 1.138 465 Y HN 0.084 nan 8.280 nan 0.000 0.510 466 L N 5.631 126.827 121.223 -0.045 0.000 2.264 466 L HA 0.344 4.665 4.340 -0.032 0.000 0.287 466 L C -0.984 175.832 176.870 -0.089 0.000 1.039 466 L CA -0.937 53.896 54.840 -0.012 0.000 0.829 466 L CB -0.567 41.484 42.059 -0.013 0.000 1.211 466 L HN 0.398 nan 8.230 nan 0.000 0.427 467 F N 3.100 123.005 119.950 -0.075 0.000 2.404 467 F HA 0.467 4.974 4.527 -0.032 0.000 0.354 467 F C 0.348 176.177 175.800 0.048 0.000 1.122 467 F CA -0.666 57.312 58.000 -0.036 0.000 1.080 467 F CB 1.411 40.274 39.000 -0.227 0.000 1.131 467 F HN 0.036 nan 8.300 nan 0.000 0.471 468 V N 5.433 125.467 119.914 0.201 0.000 2.370 468 V HA 0.256 4.357 4.120 -0.032 0.000 0.283 468 V C -0.169 176.013 176.094 0.147 0.000 1.023 468 V CA -0.784 61.570 62.300 0.090 0.000 0.857 468 V CB 1.483 33.215 31.823 -0.152 0.000 0.985 468 V HN 0.426 nan 8.190 nan 0.000 0.443 469 L N 4.969 126.298 121.223 0.177 0.000 2.375 469 L HA 0.303 4.624 4.340 -0.032 0.000 0.276 469 L C 0.657 177.601 176.870 0.122 0.000 1.162 469 L CA 0.319 55.272 54.840 0.188 0.000 0.991 469 L CB -0.265 41.941 42.059 0.244 0.000 1.315 469 L HN 0.567 nan 8.230 nan 0.000 0.431 470 N N 2.773 121.542 118.700 0.114 0.000 2.402 470 N HA 0.039 4.759 4.740 -0.032 0.000 0.252 470 N C 0.207 175.767 175.510 0.084 0.000 1.118 470 N CA 0.043 53.165 53.050 0.120 0.000 0.945 470 N CB 0.385 38.973 38.487 0.169 0.000 1.147 470 N HN 0.534 nan 8.380 nan 0.000 0.495 471 N N 1.672 120.407 118.700 0.058 0.000 2.232 471 N HA 0.082 4.803 4.740 -0.032 0.000 0.240 471 N C -0.819 174.662 175.510 -0.047 0.000 1.307 471 N CA -0.402 52.652 53.050 0.007 0.000 0.859 471 N CB -0.059 38.430 38.487 0.004 0.000 1.260 471 N HN 0.281 nan 8.380 nan 0.000 0.501 472 D N -0.225 120.160 120.400 -0.025 0.000 2.746 472 D HA 0.003 4.624 4.640 -0.032 0.000 0.241 472 D C 0.437 176.663 176.300 -0.122 0.000 1.140 472 D CA 2.039 55.999 54.000 -0.067 0.000 0.707 472 D CB -1.236 39.517 40.800 -0.078 0.000 1.034 472 D HN 0.935 nan 8.370 nan 0.000 0.423 473 G N -0.141 108.589 108.800 -0.117 0.000 2.293 473 G HA2 0.096 4.037 3.960 -0.032 0.000 0.282 473 G HA3 0.096 4.037 3.960 -0.032 0.000 0.282 473 G C -1.399 173.473 174.900 -0.047 0.000 1.299 473 G CA -0.511 44.455 45.100 -0.223 0.000 1.018 473 G HN 0.157 nan 8.290 nan 0.000 0.478 474 Y N 2.170 122.457 120.300 -0.021 0.000 2.751 474 Y HA 0.415 4.947 4.550 -0.031 0.000 0.333 474 Y C 2.166 178.067 175.900 0.001 0.000 1.122 474 Y CA -0.314 57.792 58.100 0.009 0.000 1.367 474 Y CB 0.143 38.630 38.460 0.045 0.000 1.242 474 Y HN 0.836 nan 8.280 nan 0.000 0.505 475 T N -1.004 113.623 114.554 0.123 0.000 2.652 475 T HA -0.262 4.069 4.350 -0.032 0.000 0.267 475 T C 1.977 176.732 174.700 0.092 0.000 1.039 475 T CA 1.509 63.643 62.100 0.057 0.000 1.153 475 T CB -0.386 68.492 68.868 0.017 0.000 0.863 475 T HN 0.619 nan 8.240 nan 0.000 0.428 476 I N 0.907 121.528 120.570 0.085 0.000 2.194 476 I HA -0.215 3.936 4.170 -0.032 0.000 0.246 476 I C 2.759 178.914 176.117 0.064 0.000 1.093 476 I CA 2.101 63.422 61.300 0.036 0.000 1.355 476 I CB -0.272 37.749 38.000 0.035 0.000 1.046 476 I HN 0.467 nan 8.210 nan 0.000 0.413 477 E N 0.609 120.880 120.200 0.119 0.000 2.047 477 E HA -0.256 4.075 4.350 -0.032 0.000 0.191 477 E C 2.149 178.865 176.600 0.192 0.000 0.987 477 E CA 1.263 57.760 56.400 0.162 0.000 0.799 477 E CB 0.056 29.895 29.700 0.232 0.000 0.752 477 E HN 0.390 nan 8.360 nan 0.000 0.449 478 K N 0.125 120.640 120.400 0.191 0.000 2.211 478 K HA -0.138 4.163 4.320 -0.032 0.000 0.204 478 K C 1.845 178.561 176.600 0.194 0.000 1.047 478 K CA 0.878 57.284 56.287 0.199 0.000 0.935 478 K CB -0.055 32.564 32.500 0.199 0.000 0.728 478 K HN 0.198 nan 8.250 nan 0.000 0.452 479 L N 0.256 121.569 121.223 0.150 0.000 2.599 479 L HA -0.000 4.321 4.340 -0.032 0.000 0.230 479 L C 1.691 178.595 176.870 0.057 0.000 1.141 479 L CA 0.417 55.316 54.840 0.098 0.000 0.877 479 L CB 0.010 42.105 42.059 0.060 0.000 1.009 479 L HN 0.154 nan 8.230 nan 0.000 0.447 480 I N -2.455 118.168 120.570 0.089 0.000 3.718 480 I HA 0.112 4.263 4.170 -0.032 0.000 0.297 480 I C 0.457 176.685 176.117 0.186 0.000 1.220 480 I CA 0.161 61.520 61.300 0.098 0.000 1.381 480 I CB 0.662 38.710 38.000 0.080 0.000 1.238 480 I HN 0.124 nan 8.210 nan 0.000 0.448 481 H N 0.261 119.382 119.070 0.086 0.000 3.153 481 H HA 0.255 4.792 4.556 -0.031 0.000 0.323 481 H C -0.411 175.006 175.328 0.148 0.000 1.096 481 H CA 0.155 56.267 56.048 0.107 0.000 1.385 481 H CB 1.483 31.315 29.762 0.116 0.000 2.027 481 H HN 0.181 nan 8.280 nan 0.000 0.499 482 G N 5.992 114.681 108.800 -0.184 0.000 2.415 482 G HA2 -0.185 3.756 3.960 -0.032 0.000 0.283 482 G HA3 -0.185 3.756 3.960 -0.032 0.000 0.283 482 G C -2.011 172.882 174.900 -0.012 0.000 1.014 482 G CA -0.096 44.957 45.100 -0.079 0.000 1.323 482 G HN 0.484 nan 8.290 nan 0.000 0.502 483 P HA -0.048 nan 4.420 nan 0.000 0.218 483 P C 1.368 178.769 177.300 0.169 0.000 1.148 483 P CA 1.258 64.458 63.100 0.167 0.000 0.822 483 P CB 0.252 32.007 31.700 0.092 0.000 0.784 484 K N -1.512 118.907 120.400 0.032 0.000 2.506 484 K HA 0.352 4.653 4.320 -0.032 0.000 0.204 484 K C 0.163 176.700 176.600 -0.105 0.000 1.045 484 K CA -0.408 55.879 56.287 -0.001 0.000 1.074 484 K CB 0.815 33.341 32.500 0.043 0.000 0.842 484 K HN -0.016 nan 8.250 nan 0.000 0.514 485 A N 1.632 124.323 122.820 -0.216 0.000 2.450 485 A HA 0.019 4.320 4.320 -0.032 0.000 0.255 485 A C 1.511 178.827 177.584 -0.447 0.000 1.096 485 A CA -0.044 51.734 52.037 -0.432 0.000 0.778 485 A CB 0.509 19.021 19.000 -0.812 0.000 1.031 485 A HN 0.266 nan 8.150 nan 0.000 0.494 486 Q N 2.100 121.724 119.800 -0.292 0.000 2.173 486 Q HA -0.262 4.059 4.340 -0.032 0.000 0.208 486 Q C 1.378 177.304 176.000 -0.123 0.000 0.989 486 Q CA 2.747 58.458 55.803 -0.154 0.000 0.872 486 Q CB -0.333 28.378 28.738 -0.046 0.000 0.909 486 Q HN 1.054 nan 8.270 nan 0.000 0.420 487 Y N -1.063 119.254 120.300 0.029 0.000 2.571 487 Y HA 0.113 4.644 4.550 -0.031 0.000 0.294 487 Y C 1.196 177.125 175.900 0.049 0.000 1.141 487 Y CA 0.750 58.879 58.100 0.048 0.000 1.308 487 Y CB -0.540 37.972 38.460 0.087 0.000 1.002 487 Y HN 0.049 nan 8.280 nan 0.000 0.551 488 N N 0.174 118.852 118.700 -0.036 0.000 2.336 488 N HA 0.002 4.723 4.740 -0.032 0.000 0.189 488 N C -0.369 174.944 175.510 -0.328 0.000 1.113 488 N CA 0.324 53.366 53.050 -0.013 0.000 0.858 488 N CB 0.101 38.602 38.487 0.023 0.000 0.970 488 N HN 0.380 nan 8.380 nan 0.000 0.471 489 E N 0.519 120.530 120.200 -0.315 0.000 2.214 489 E HA 0.374 4.705 4.350 -0.032 0.000 0.274 489 E C 0.311 176.694 176.600 -0.361 0.000 0.977 489 E CA -0.604 55.614 56.400 -0.302 0.000 0.827 489 E CB 2.189 31.783 29.700 -0.176 0.000 1.130 489 E HN 0.200 nan 8.360 nan 0.000 0.394 490 I N -1.538 118.834 120.570 -0.330 0.000 3.108 490 I HA 0.485 4.636 4.170 -0.032 0.000 0.312 490 I C -0.357 175.659 176.117 -0.167 0.000 1.095 490 I CA -1.310 59.823 61.300 -0.279 0.000 1.000 490 I CB 1.997 39.779 38.000 -0.365 0.000 1.229 490 I HN 0.123 nan 8.210 nan 0.000 0.454 491 Q N 2.153 121.875 119.800 -0.131 0.000 2.288 491 Q HA 0.496 4.817 4.340 -0.032 0.000 0.254 491 Q C -0.285 175.658 176.000 -0.095 0.000 0.932 491 Q CA 0.011 55.798 55.803 -0.026 0.000 0.902 491 Q CB 1.440 30.250 28.738 0.119 0.000 1.203 491 Q HN 0.899 nan 8.270 nan 0.000 0.415 492 G N 4.043 112.843 108.800 0.001 0.000 2.338 492 G HA2 0.351 4.292 3.960 -0.032 0.000 0.295 492 G HA3 0.351 4.292 3.960 -0.032 0.000 0.295 492 G C -1.205 173.789 174.900 0.156 0.000 1.132 492 G CA -0.520 44.579 45.100 -0.002 0.000 0.922 492 G HN 0.467 nan 8.290 nan 0.000 0.427 493 W N 0.786 121.946 121.300 -0.234 0.000 2.509 493 W HA 0.367 5.008 4.660 -0.032 0.000 0.351 493 W C -0.172 176.094 176.519 -0.420 0.000 1.107 493 W CA -1.502 55.666 57.345 -0.295 0.000 1.264 493 W CB 1.317 30.598 29.460 -0.299 0.000 1.312 493 W HN 0.385 nan 8.180 nan 0.000 0.608 494 D N 0.536 120.895 120.400 -0.069 0.000 2.563 494 D HA 0.089 4.709 4.640 -0.032 0.000 0.222 494 D C 1.145 177.412 176.300 -0.055 0.000 1.145 494 D CA 0.102 54.052 54.000 -0.083 0.000 1.001 494 D CB -0.236 40.522 40.800 -0.070 0.000 1.049 494 D HN 0.361 nan 8.370 nan 0.000 0.515 495 H N 1.620 120.754 119.070 0.107 0.000 2.319 495 H HA -0.106 4.431 4.556 -0.032 0.000 0.297 495 H C 1.754 177.087 175.328 0.009 0.000 1.097 495 H CA 1.107 57.211 56.048 0.093 0.000 1.285 495 H CB 0.289 30.124 29.762 0.121 0.000 1.368 495 H HN 0.348 nan 8.280 nan 0.000 0.495 496 L N 0.338 121.637 121.223 0.127 0.000 2.549 496 L HA -0.096 4.225 4.340 -0.032 0.000 0.229 496 L C 1.444 178.295 176.870 -0.032 0.000 1.158 496 L CA 0.586 55.452 54.840 0.044 0.000 0.842 496 L CB -0.139 41.950 42.059 0.051 0.000 0.952 496 L HN 0.266 nan 8.230 nan 0.000 0.452 497 S N -0.624 115.035 115.700 -0.069 0.000 2.524 497 S HA 0.107 4.558 4.470 -0.032 0.000 0.216 497 S C 1.889 176.332 174.600 -0.261 0.000 0.987 497 S CA -0.066 58.046 58.200 -0.146 0.000 0.909 497 S CB 0.227 63.342 63.200 -0.141 0.000 0.781 497 S HN 0.289 nan 8.310 nan 0.000 0.521 498 L N 1.396 122.455 121.223 -0.274 0.000 1.971 498 L HA -0.203 4.118 4.340 -0.032 0.000 0.215 498 L C 2.224 178.784 176.870 -0.517 0.000 1.072 498 L CA 1.526 56.089 54.840 -0.461 0.000 0.758 498 L CB -0.761 41.175 42.059 -0.205 0.000 0.889 498 L HN 0.324 nan 8.230 nan 0.000 0.433 499 L N -0.393 120.612 121.223 -0.364 0.000 1.963 499 L HA -0.211 4.110 4.340 -0.032 0.000 0.220 499 L C -0.129 176.448 176.870 -0.488 0.000 1.076 499 L CA 1.784 56.362 54.840 -0.437 0.000 0.772 499 L CB -2.249 39.458 42.059 -0.586 0.000 0.892 499 L HN 0.266 nan 8.230 nan 0.000 0.435 500 P HA -0.139 nan 4.420 nan 0.000 0.216 500 P C 1.536 178.706 177.300 -0.217 0.000 1.150 500 P CA 1.604 64.499 63.100 -0.343 0.000 0.837 500 P CB -0.269 31.295 31.700 -0.226 0.000 0.786 501 T N -0.607 113.769 114.554 -0.297 0.000 2.803 501 T HA -0.099 4.232 4.350 -0.032 0.000 0.269 501 T C 0.933 175.569 174.700 -0.106 0.000 1.052 501 T CA 1.077 63.011 62.100 -0.277 0.000 1.136 501 T CB -0.666 67.931 68.868 -0.451 0.000 0.864 501 T HN -0.000 nan 8.240 nan 0.000 0.467 502 F N 0.749 120.632 119.950 -0.110 0.000 2.692 502 F HA 0.423 4.932 4.527 -0.031 0.000 0.303 502 F C 1.853 177.606 175.800 -0.078 0.000 1.114 502 F CA -1.074 56.877 58.000 -0.082 0.000 1.361 502 F CB -0.910 38.048 39.000 -0.070 0.000 1.063 502 F HN 0.263 nan 8.300 nan 0.000 0.550 503 G N 0.440 109.276 108.800 0.060 0.000 2.147 503 G HA2 -0.119 3.822 3.960 -0.032 0.000 0.244 503 G HA3 -0.119 3.822 3.960 -0.032 0.000 0.244 503 G C 0.454 175.360 174.900 0.008 0.000 1.005 503 G CA -0.013 45.100 45.100 0.022 0.000 0.713 503 G HN 0.672 nan 8.290 nan 0.000 0.515 504 A N -0.037 122.758 122.820 -0.042 0.000 2.477 504 A HA 0.619 4.920 4.320 -0.032 0.000 0.246 504 A C 1.456 179.109 177.584 0.116 0.000 1.078 504 A CA 1.012 53.038 52.037 -0.019 0.000 0.770 504 A CB 0.484 19.373 19.000 -0.186 0.000 1.011 504 A HN 0.719 nan 8.150 nan 0.000 0.494 505 K N 1.472 121.984 120.400 0.187 0.000 2.286 505 K HA 0.108 4.409 4.320 -0.032 0.000 0.203 505 K C -0.574 176.140 176.600 0.190 0.000 1.078 505 K CA 0.902 57.297 56.287 0.180 0.000 0.957 505 K CB -0.091 32.455 32.500 0.076 0.000 1.018 505 K HN 0.529 nan 8.250 nan 0.000 0.484 506 D N 0.449 120.949 120.400 0.166 0.000 2.462 506 D HA 0.349 4.970 4.640 -0.032 0.000 0.245 506 D C -1.313 175.062 176.300 0.125 0.000 1.122 506 D CA -0.559 53.465 54.000 0.040 0.000 0.864 506 D CB 0.373 41.178 40.800 0.010 0.000 1.098 506 D HN 0.224 nan 8.370 nan 0.000 0.541 507 Y N -0.159 120.112 120.300 -0.048 0.000 2.750 507 Y HA 0.657 5.188 4.550 -0.032 0.000 0.335 507 Y C -1.469 174.388 175.900 -0.071 0.000 1.252 507 Y CA -1.146 56.917 58.100 -0.062 0.000 1.064 507 Y CB 1.006 39.433 38.460 -0.055 0.000 1.321 507 Y HN 0.102 nan 8.280 nan 0.000 0.451 508 E N 0.629 120.849 120.200 0.034 0.000 2.314 508 E HA 0.588 4.919 4.350 -0.032 0.000 0.272 508 E C -1.534 175.050 176.600 -0.027 0.000 0.884 508 E CA -1.152 55.181 56.400 -0.112 0.000 0.753 508 E CB 2.608 32.275 29.700 -0.054 0.000 1.213 508 E HN 0.765 nan 8.360 nan 0.000 0.432 509 T N -0.360 114.077 114.554 -0.195 0.000 2.863 509 T HA 0.562 4.893 4.350 -0.032 0.000 0.285 509 T C -0.606 173.817 174.700 -0.461 0.000 1.009 509 T CA -0.868 61.142 62.100 -0.151 0.000 0.989 509 T CB 1.231 70.115 68.868 0.026 0.000 1.004 509 T HN 0.374 nan 8.240 nan 0.000 0.455 510 H N 1.135 120.202 119.070 -0.006 0.000 2.961 510 H HA 0.593 5.129 4.556 -0.032 0.000 0.371 510 H C -0.754 174.564 175.328 -0.018 0.000 1.190 510 H CA -0.868 55.157 56.048 -0.040 0.000 1.138 510 H CB 2.680 32.373 29.762 -0.115 0.000 1.816 510 H HN 0.675 nan 8.280 nan 0.000 0.551 511 R N 1.705 122.279 120.500 0.123 0.000 2.561 511 R HA 0.550 4.871 4.340 -0.032 0.000 0.297 511 R C -1.900 174.452 176.300 0.087 0.000 0.969 511 R CA -0.640 55.518 56.100 0.097 0.000 0.879 511 R CB 1.508 31.853 30.300 0.075 0.000 1.178 511 R HN 0.324 nan 8.270 nan 0.000 0.445 512 V N 3.555 123.535 119.914 0.110 0.000 2.588 512 V HA 0.609 4.710 4.120 -0.032 0.000 0.304 512 V C -0.034 176.133 176.094 0.122 0.000 1.042 512 V CA -0.135 62.237 62.300 0.119 0.000 0.877 512 V CB 1.642 33.564 31.823 0.166 0.000 0.996 512 V HN 1.013 nan 8.190 nan 0.000 0.425 513 A N 3.298 126.164 122.820 0.076 0.000 2.606 513 A HA 0.518 4.819 4.320 -0.032 0.000 0.230 513 A C 0.680 178.259 177.584 -0.009 0.000 1.279 513 A CA 0.714 52.774 52.037 0.040 0.000 1.010 513 A CB 0.505 19.520 19.000 0.025 0.000 1.271 513 A HN 0.837 nan 8.150 nan 0.000 0.584 514 T N -4.030 110.515 114.554 -0.015 0.000 2.864 514 T HA 0.442 4.773 4.350 -0.032 0.000 0.289 514 T C 1.125 175.742 174.700 -0.137 0.000 1.082 514 T CA 0.459 62.497 62.100 -0.104 0.000 1.009 514 T CB 0.976 69.792 68.868 -0.087 0.000 1.234 514 T HN 0.357 nan 8.240 nan 0.000 0.526 515 T N -2.091 112.252 114.554 -0.351 0.000 2.867 515 T HA 0.096 4.427 4.350 -0.032 0.000 0.268 515 T C 2.215 176.904 174.700 -0.018 0.000 1.057 515 T CA 1.318 63.120 62.100 -0.497 0.000 1.136 515 T CB -1.130 67.166 68.868 -0.954 0.000 0.874 515 T HN 0.868 nan 8.240 nan 0.000 0.466 516 G N 1.068 109.848 108.800 -0.033 0.000 2.403 516 G HA2 -0.062 3.879 3.960 -0.032 0.000 0.216 516 G HA3 -0.062 3.879 3.960 -0.032 0.000 0.216 516 G C 1.513 176.442 174.900 0.049 0.000 1.154 516 G CA 0.466 45.586 45.100 0.034 0.000 0.784 516 G HN 0.598 nan 8.290 nan 0.000 0.538 517 E N -0.598 119.624 120.200 0.038 0.000 2.106 517 E HA -0.110 4.221 4.350 -0.032 0.000 0.192 517 E C 1.956 178.571 176.600 0.025 0.000 0.984 517 E CA 0.455 56.865 56.400 0.017 0.000 0.806 517 E CB -0.225 29.488 29.700 0.022 0.000 0.750 517 E HN 0.584 nan 8.360 nan 0.000 0.458 518 W N 2.443 123.733 121.300 -0.016 0.000 2.315 518 W HA -0.257 4.384 4.660 -0.032 0.000 0.323 518 W C 1.372 177.913 176.519 0.036 0.000 1.233 518 W CA 1.760 59.133 57.345 0.048 0.000 1.267 518 W CB -0.303 29.296 29.460 0.231 0.000 1.160 518 W HN 0.073 nan 8.180 nan 0.000 0.474 519 D N 0.082 120.653 120.400 0.286 0.000 2.084 519 D HA -0.179 4.442 4.640 -0.032 0.000 0.194 519 D C 2.170 178.458 176.300 -0.019 0.000 0.990 519 D CA 1.623 55.719 54.000 0.161 0.000 0.826 519 D CB -0.384 40.575 40.800 0.264 0.000 0.971 519 D HN 0.197 nan 8.370 nan 0.000 0.453 520 K N 0.149 120.529 120.400 -0.033 0.000 2.044 520 K HA -0.180 4.121 4.320 -0.032 0.000 0.210 520 K C 2.172 178.655 176.600 -0.194 0.000 1.049 520 K CA 0.674 56.913 56.287 -0.079 0.000 0.927 520 K CB -0.396 32.069 32.500 -0.058 0.000 0.713 520 K HN 0.075 nan 8.250 nan 0.000 0.443 521 L N 1.173 122.181 121.223 -0.358 0.000 2.005 521 L HA -0.154 4.167 4.340 -0.032 0.000 0.207 521 L C 2.496 178.918 176.870 -0.746 0.000 1.072 521 L CA 2.234 56.663 54.840 -0.685 0.000 0.744 521 L CB -0.939 40.560 42.059 -0.933 0.000 0.895 521 L HN 0.330 nan 8.230 nan 0.000 0.433 522 T N -3.663 110.496 114.554 -0.658 0.000 3.072 522 T HA -0.134 4.197 4.350 -0.032 0.000 0.266 522 T C 1.489 176.212 174.700 0.039 0.000 1.127 522 T CA 1.173 63.037 62.100 -0.393 0.000 1.107 522 T CB -0.311 68.105 68.868 -0.754 0.000 0.910 522 T HN 0.564 nan 8.240 nan 0.000 0.513 523 Q N 0.735 120.530 119.800 -0.009 0.000 2.356 523 Q HA 0.182 4.503 4.340 -0.032 0.000 0.205 523 Q C 0.469 176.521 176.000 0.087 0.000 0.901 523 Q CA -0.167 55.684 55.803 0.081 0.000 0.938 523 Q CB 0.298 29.076 28.738 0.068 0.000 1.081 523 Q HN 0.574 nan 8.270 nan 0.000 0.517 524 D N 1.168 121.605 120.400 0.063 0.000 2.401 524 D HA -0.049 4.572 4.640 -0.032 0.000 0.254 524 D C 0.292 176.691 176.300 0.166 0.000 1.192 524 D CA -0.006 54.044 54.000 0.084 0.000 0.885 524 D CB 0.987 41.805 40.800 0.030 0.000 1.147 524 D HN -0.118 nan 8.370 nan 0.000 0.478 525 K N 2.112 122.584 120.400 0.121 0.000 2.044 525 K HA -0.140 4.161 4.320 -0.032 0.000 0.210 525 K C 2.021 178.697 176.600 0.127 0.000 1.049 525 K CA 1.025 57.378 56.287 0.110 0.000 0.927 525 K CB -0.874 31.670 32.500 0.073 0.000 0.713 525 K HN 0.218 nan 8.250 nan 0.000 0.443 526 S N 0.266 116.043 115.700 0.129 0.000 2.368 526 S HA -0.070 4.381 4.470 -0.032 0.000 0.225 526 S C 1.613 176.329 174.600 0.193 0.000 1.030 526 S CA 0.911 59.188 58.200 0.129 0.000 0.999 526 S CB -0.399 62.867 63.200 0.110 0.000 0.844 526 S HN 0.351 nan 8.310 nan 0.000 0.459 527 F N 3.031 123.030 119.950 0.081 0.000 2.269 527 F HA -0.043 4.465 4.527 -0.032 0.000 0.301 527 F C 1.850 177.827 175.800 0.295 0.000 1.082 527 F CA 1.105 59.182 58.000 0.130 0.000 1.360 527 F CB -0.349 38.663 39.000 0.021 0.000 1.041 527 F HN 0.199 nan 8.300 nan 0.000 0.512 528 N N 0.029 118.873 118.700 0.240 0.000 2.494 528 N HA -0.111 4.610 4.740 -0.032 0.000 0.182 528 N C -0.230 175.342 175.510 0.103 0.000 1.076 528 N CA 0.612 53.761 53.050 0.164 0.000 0.908 528 N CB -0.262 38.317 38.487 0.154 0.000 0.967 528 N HN 0.304 nan 8.380 nan 0.000 0.449 529 D N 1.001 121.464 120.400 0.105 0.000 2.198 529 D HA 0.042 4.663 4.640 -0.032 0.000 0.245 529 D C -0.089 176.252 176.300 0.069 0.000 1.079 529 D CA -0.648 53.395 54.000 0.072 0.000 0.854 529 D CB 0.496 41.327 40.800 0.050 0.000 1.148 529 D HN 0.064 nan 8.370 nan 0.000 0.456 530 N N 2.385 121.126 118.700 0.069 0.000 3.127 530 N HA -0.064 4.657 4.740 -0.032 0.000 0.317 530 N C 0.234 175.712 175.510 -0.054 0.000 1.242 530 N CA -0.115 52.926 53.050 -0.014 0.000 1.203 530 N CB -0.030 38.486 38.487 0.050 0.000 1.462 530 N HN 0.251 nan 8.380 nan 0.000 0.546 531 S N -0.742 114.921 115.700 -0.061 0.000 2.503 531 S HA -0.004 4.447 4.470 -0.032 0.000 0.217 531 S C 0.708 175.273 174.600 -0.058 0.000 0.999 531 S CA 0.029 58.205 58.200 -0.040 0.000 0.914 531 S CB 0.160 63.350 63.200 -0.018 0.000 0.782 531 S HN 0.626 nan 8.310 nan 0.000 0.520 532 K N 0.490 120.828 120.400 -0.104 0.000 2.555 532 K HA 0.464 4.765 4.320 -0.032 0.000 0.279 532 K C -1.186 175.328 176.600 -0.143 0.000 0.986 532 K CA -0.981 55.254 56.287 -0.088 0.000 0.880 532 K CB 1.208 33.675 32.500 -0.054 0.000 1.474 532 K HN 0.189 nan 8.250 nan 0.000 0.433 533 I N 1.217 121.739 120.570 -0.079 0.000 2.754 533 I HA 0.133 4.284 4.170 -0.032 0.000 0.285 533 I C -0.545 175.518 176.117 -0.091 0.000 1.166 533 I CA -0.031 61.209 61.300 -0.101 0.000 1.417 533 I CB 0.387 38.370 38.000 -0.029 0.000 1.382 533 I HN 0.595 nan 8.210 nan 0.000 0.588 534 R N 7.297 127.701 120.500 -0.160 0.000 2.651 534 R HA 0.510 4.831 4.340 -0.032 0.000 0.278 534 R C -1.279 174.968 176.300 -0.089 0.000 1.010 534 R CA -0.838 55.204 56.100 -0.096 0.000 0.896 534 R CB 2.098 32.316 30.300 -0.138 0.000 1.211 534 R HN 0.624 nan 8.270 nan 0.000 0.456 535 M N 3.156 122.739 119.600 -0.028 0.000 2.311 535 M HA 0.506 4.967 4.480 -0.032 0.000 0.325 535 M C -1.609 174.665 176.300 -0.043 0.000 1.061 535 M CA -0.796 54.474 55.300 -0.049 0.000 0.957 535 M CB 1.296 33.891 32.600 -0.007 0.000 1.646 535 M HN 0.559 nan 8.290 nan 0.000 0.434 536 I N 3.978 124.466 120.570 -0.136 0.000 2.411 536 I HA 0.349 4.500 4.170 -0.032 0.000 0.284 536 I C -0.444 175.691 176.117 0.031 0.000 1.012 536 I CA -0.215 61.024 61.300 -0.102 0.000 1.119 536 I CB 1.691 39.441 38.000 -0.416 0.000 1.261 536 I HN 0.648 nan 8.210 nan 0.000 0.448 537 E N 6.318 126.573 120.200 0.092 0.000 2.200 537 E HA 0.413 4.744 4.350 -0.032 0.000 0.283 537 E C -0.957 175.745 176.600 0.171 0.000 1.015 537 E CA -0.656 55.819 56.400 0.125 0.000 0.819 537 E CB 0.920 30.703 29.700 0.138 0.000 1.081 537 E HN 0.351 nan 8.360 nan 0.000 0.397 538 I N 5.325 126.018 120.570 0.205 0.000 2.312 538 I HA 0.190 4.341 4.170 -0.032 0.000 0.290 538 I C -0.065 176.141 176.117 0.149 0.000 1.008 538 I CA -0.723 60.712 61.300 0.225 0.000 1.226 538 I CB 0.772 38.944 38.000 0.288 0.000 1.371 538 I HN 0.541 nan 8.210 nan 0.000 0.468 539 M N 8.010 127.681 119.600 0.118 0.000 2.105 539 M HA 0.491 4.952 4.480 -0.032 0.000 0.350 539 M C -0.393 175.939 176.300 0.053 0.000 1.308 539 M CA -0.123 55.225 55.300 0.080 0.000 1.108 539 M CB 0.655 33.293 32.600 0.063 0.000 1.622 539 M HN 0.366 nan 8.290 nan 0.000 0.468 540 L N 4.528 125.779 121.223 0.045 0.000 2.376 540 L HA 0.640 4.960 4.340 -0.032 0.000 0.258 540 L C -2.273 174.603 176.870 0.009 0.000 1.013 540 L CA -2.018 52.837 54.840 0.025 0.000 0.822 540 L CB 2.448 44.529 42.059 0.038 0.000 1.388 540 L HN 0.408 nan 8.230 nan 0.000 0.413 541 P HA 0.113 nan 4.420 nan 0.000 0.272 541 P C 0.824 178.091 177.300 -0.055 0.000 1.223 541 P CA -0.484 62.609 63.100 -0.010 0.000 0.784 541 P CB 0.830 32.543 31.700 0.022 0.000 0.923 542 V N 1.154 120.977 119.914 -0.151 0.000 2.252 542 V HA -0.258 3.843 4.120 -0.032 0.000 0.249 542 V C 1.473 177.285 176.094 -0.471 0.000 1.056 542 V CA 2.040 64.101 62.300 -0.398 0.000 1.022 542 V CB -1.259 30.155 31.823 -0.681 0.000 0.641 542 V HN 0.485 nan 8.190 nan 0.000 0.445 543 F N -0.205 119.754 119.950 0.014 0.000 2.664 543 F HA 0.323 4.831 4.527 -0.032 0.000 0.301 543 F C 0.626 176.435 175.800 0.016 0.000 1.126 543 F CA -0.734 57.272 58.000 0.011 0.000 1.373 543 F CB -0.397 38.602 39.000 -0.002 0.000 1.042 543 F HN 0.103 nan 8.300 nan 0.000 0.535 544 D N 1.352 121.819 120.400 0.113 0.000 2.308 544 D HA 0.578 5.199 4.640 -0.032 0.000 0.251 544 D C -0.387 175.972 176.300 0.098 0.000 1.127 544 D CA 0.172 54.230 54.000 0.096 0.000 0.876 544 D CB 0.989 41.829 40.800 0.066 0.000 1.176 544 D HN 0.214 nan 8.370 nan 0.000 0.446 545 A N 3.499 126.379 122.820 0.100 0.000 2.612 545 A HA 0.640 4.941 4.320 -0.032 0.000 0.293 545 A C -2.781 174.868 177.584 0.108 0.000 1.075 545 A CA -1.304 50.793 52.037 0.101 0.000 0.680 545 A CB 1.326 20.351 19.000 0.042 0.000 1.279 545 A HN 0.478 nan 8.150 nan 0.000 0.411 546 P HA 0.212 nan 4.420 nan 0.000 0.271 546 P C 0.477 177.806 177.300 0.049 0.000 1.218 546 P CA 0.068 63.241 63.100 0.123 0.000 0.780 546 P CB 0.839 32.590 31.700 0.085 0.000 0.901 547 Q N 3.103 122.933 119.800 0.049 0.000 2.118 547 Q HA -0.292 4.029 4.340 -0.032 0.000 0.211 547 Q C 1.830 177.832 176.000 0.003 0.000 0.998 547 Q CA 2.843 58.660 55.803 0.022 0.000 0.872 547 Q CB -0.610 28.143 28.738 0.024 0.000 0.925 547 Q HN 0.667 nan 8.270 nan 0.000 0.414 548 N N -1.075 117.633 118.700 0.015 0.000 2.223 548 N HA -0.194 4.527 4.740 -0.032 0.000 0.185 548 N C 1.707 177.201 175.510 -0.027 0.000 1.016 548 N CA 1.082 54.150 53.050 0.029 0.000 0.863 548 N CB -0.289 38.248 38.487 0.084 0.000 0.983 548 N HN 0.247 nan 8.380 nan 0.000 0.429 549 L N 1.170 122.314 121.223 -0.132 0.000 2.179 549 L HA 0.100 4.421 4.340 -0.032 0.000 0.208 549 L C 2.116 178.843 176.870 -0.239 0.000 1.096 549 L CA 0.772 55.346 54.840 -0.444 0.000 0.779 549 L CB -0.334 41.377 42.059 -0.581 0.000 0.922 549 L HN 0.004 nan 8.230 nan 0.000 0.443 550 V N 0.110 119.955 119.914 -0.116 0.000 2.255 550 V HA -0.285 3.816 4.120 -0.032 0.000 0.247 550 V C 2.616 178.671 176.094 -0.066 0.000 1.051 550 V CA 1.914 64.175 62.300 -0.064 0.000 1.018 550 V CB -0.586 31.224 31.823 -0.022 0.000 0.641 550 V HN 0.434 nan 8.190 nan 0.000 0.445 551 K N -0.840 119.526 120.400 -0.057 0.000 2.228 551 K HA -0.046 4.255 4.320 -0.032 0.000 0.202 551 K C 1.964 178.534 176.600 -0.050 0.000 1.051 551 K CA 0.562 56.823 56.287 -0.044 0.000 0.960 551 K CB -0.139 32.345 32.500 -0.027 0.000 0.743 551 K HN 0.413 nan 8.250 nan 0.000 0.458 552 Q N 1.025 120.782 119.800 -0.071 0.000 1.506 552 Q HA 0.020 4.341 4.340 -0.032 0.000 0.553 552 Q C 1.983 177.936 176.000 -0.079 0.000 0.912 552 Q CA 1.303 57.072 55.803 -0.056 0.000 0.898 552 Q CB -0.484 28.243 28.738 -0.017 0.000 1.064 552 Q HN 0.097 nan 8.270 nan 0.000 0.369 553 A N 2.230 124.966 122.820 -0.139 0.000 2.038 553 A HA -0.287 4.014 4.320 -0.032 0.000 0.224 553 A C 2.010 179.554 177.584 -0.066 0.000 1.190 553 A CA 2.473 54.442 52.037 -0.113 0.000 0.668 553 A CB -0.877 18.009 19.000 -0.190 0.000 0.820 553 A HN 0.575 nan 8.150 nan 0.000 0.474 554 K N 0.047 120.405 120.400 -0.070 0.000 2.127 554 K HA -0.157 4.143 4.320 -0.032 0.000 0.208 554 K C 0.744 177.328 176.600 -0.026 0.000 1.047 554 K CA 1.664 57.925 56.287 -0.042 0.000 0.927 554 K CB -0.414 32.060 32.500 -0.042 0.000 0.716 554 K HN 0.553 nan 8.250 nan 0.000 0.450 555 L N 1.664 122.871 121.223 -0.026 0.000 2.990 555 L HA 0.156 4.477 4.340 -0.032 0.000 0.231 555 L C 0.235 177.099 176.870 -0.009 0.000 1.341 555 L CA -0.325 54.506 54.840 -0.016 0.000 1.208 555 L CB 0.449 42.498 42.059 -0.018 0.000 1.571 555 L HN 0.087 nan 8.230 nan 0.000 0.453 556 T N 0.000 114.552 114.554 -0.004 0.000 3.816 556 T HA 0.000 4.331 4.350 -0.032 0.000 0.228 556 T CA 0.000 62.102 62.100 0.003 0.000 1.349 556 T CB 0.000 68.868 68.868 0.001 0.000 0.612 556 T HN 0.000 nan 8.240 nan 0.000 0.658