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 1e8h_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XXXXXXMKPT DATA SEQUENCE HTHDPTHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPGG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDFI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.442 176.600 -0.263 0.000 1.382 6 E CA 0.000 56.246 56.400 -0.256 0.000 0.976 6 E CB 0.000 29.720 29.700 0.032 0.000 0.812 7 F N 0.386 120.427 119.950 0.151 0.000 2.262 7 F HA 0.322 4.849 4.527 -0.001 0.000 0.292 7 F C 1.558 177.448 175.800 0.150 0.000 1.081 7 F CA 0.664 58.760 58.000 0.159 0.000 1.355 7 F CB 0.606 39.663 39.000 0.094 0.000 1.069 7 F HN 0.384 nan 8.300 nan 0.000 0.506 8 R N 1.110 121.767 120.500 0.262 0.000 2.545 8 R HA 0.313 4.653 4.340 -0.001 0.000 0.289 8 R C -2.858 173.445 176.300 0.006 0.000 1.327 8 R CA -1.799 54.363 56.100 0.102 0.000 1.040 8 R CB 1.165 31.519 30.300 0.090 0.000 1.176 8 R HN -0.099 nan 8.270 nan 0.000 0.518 9 P HA 0.124 nan 4.420 nan 0.000 0.274 9 P C 0.690 177.916 177.300 -0.124 0.000 1.246 9 P CA -0.466 62.531 63.100 -0.172 0.000 0.795 9 P CB 1.093 32.516 31.700 -0.462 0.000 1.006 10 L N -0.495 120.682 121.223 -0.076 0.000 2.093 10 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 10 L C 0.785 177.606 176.870 -0.081 0.000 1.085 10 L CA 1.543 56.346 54.840 -0.063 0.000 0.755 10 L CB -0.417 41.616 42.059 -0.042 0.000 0.904 10 L HN 0.421 nan 8.230 nan 0.000 0.435 11 T N 0.173 114.671 114.554 -0.092 0.000 2.971 11 T HA 0.507 4.857 4.350 -0.001 0.000 0.304 11 T C -0.605 174.022 174.700 -0.122 0.000 1.038 11 T CA -0.464 61.584 62.100 -0.086 0.000 1.007 11 T CB 2.392 71.235 68.868 -0.040 0.000 1.055 11 T HN -0.128 nan 8.240 nan 0.000 0.451 12 L N 4.634 125.775 121.223 -0.136 0.000 2.322 12 L HA 0.516 4.856 4.340 -0.001 0.000 0.279 12 L C -1.920 174.877 176.870 -0.122 0.000 1.036 12 L CA -2.472 52.265 54.840 -0.171 0.000 0.807 12 L CB 1.443 43.396 42.059 -0.177 0.000 1.226 12 L HN 0.360 nan 8.230 nan 0.000 0.433 13 P HA 0.070 nan 4.420 nan 0.000 0.269 13 P C -2.559 174.644 177.300 -0.162 0.000 1.217 13 P CA -1.040 61.889 63.100 -0.287 0.000 0.783 13 P CB -0.598 30.546 31.700 -0.926 0.000 0.898 14 P HA -0.066 nan 4.420 nan 0.000 0.263 14 P C 0.371 177.633 177.300 -0.064 0.000 1.175 14 P CA 0.646 63.763 63.100 0.029 0.000 0.761 14 P CB -0.078 31.678 31.700 0.093 0.000 0.794 15 K N -1.425 118.951 120.400 -0.040 0.000 3.445 15 K HA -0.240 4.080 4.320 -0.001 0.000 0.316 15 K C 0.259 176.835 176.600 -0.039 0.000 1.278 15 K CA 0.770 57.032 56.287 -0.042 0.000 0.976 15 K CB -1.508 30.963 32.500 -0.049 0.000 1.238 15 K HN 0.239 nan 8.250 nan 0.000 0.430 16 L N 1.407 122.591 121.223 -0.066 0.000 2.312 16 L HA 0.238 4.578 4.340 -0.001 0.000 0.281 16 L C 0.592 177.467 176.870 0.008 0.000 1.070 16 L CA 0.177 54.995 54.840 -0.036 0.000 0.805 16 L CB 1.291 43.270 42.059 -0.132 0.000 1.174 16 L HN 0.211 nan 8.230 nan 0.000 0.434 17 S N 3.727 119.463 115.700 0.061 0.000 2.645 17 S HA 0.185 4.654 4.470 -0.001 0.000 0.266 17 S C 0.851 175.523 174.600 0.120 0.000 1.258 17 S CA -0.579 57.664 58.200 0.073 0.000 0.990 17 S CB 0.732 63.982 63.200 0.083 0.000 0.967 17 S HN 0.668 nan 8.310 nan 0.000 0.556 18 L N 1.032 122.319 121.223 0.107 0.000 2.217 18 L HA 0.079 4.419 4.340 -0.001 0.000 0.211 18 L C 2.452 179.453 176.870 0.218 0.000 1.107 18 L CA 1.803 56.733 54.840 0.150 0.000 0.783 18 L CB -1.330 40.786 42.059 0.094 0.000 0.919 18 L HN 0.899 nan 8.230 nan 0.000 0.442 19 S N -0.900 114.902 115.700 0.169 0.000 2.357 19 S HA -0.133 4.337 4.470 -0.001 0.000 0.221 19 S C 1.608 176.311 174.600 0.171 0.000 1.031 19 S CA 1.136 59.433 58.200 0.163 0.000 0.982 19 S CB -0.206 63.074 63.200 0.133 0.000 0.853 19 S HN 0.533 nan 8.310 nan 0.000 0.458 20 D N 0.665 121.181 120.400 0.193 0.000 2.084 20 D HA -0.093 4.546 4.640 -0.001 0.000 0.194 20 D C 1.594 177.938 176.300 0.072 0.000 0.990 20 D CA 1.003 55.136 54.000 0.221 0.000 0.826 20 D CB -0.645 40.336 40.800 0.302 0.000 0.971 20 D HN 0.433 nan 8.370 nan 0.000 0.453 21 F N 2.045 122.015 119.950 0.033 0.000 2.063 21 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 21 F C 2.040 177.863 175.800 0.038 0.000 1.109 21 F CA 1.609 59.643 58.000 0.056 0.000 1.212 21 F CB -0.274 38.787 39.000 0.102 0.000 0.973 21 F HN -0.082 nan 8.300 nan 0.000 0.480 22 N N 0.179 118.954 118.700 0.125 0.000 2.166 22 N HA -0.216 4.523 4.740 -0.001 0.000 0.186 22 N C 1.971 177.396 175.510 -0.142 0.000 1.019 22 N CA 1.431 54.461 53.050 -0.033 0.000 0.856 22 N CB -0.420 38.123 38.487 0.094 0.000 0.993 22 N HN 0.538 nan 8.380 nan 0.000 0.426 23 E N 0.188 120.335 120.200 -0.088 0.000 2.058 23 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 23 E C 1.853 178.304 176.600 -0.249 0.000 0.997 23 E CA 0.878 57.221 56.400 -0.095 0.000 0.801 23 E CB -0.121 29.608 29.700 0.049 0.000 0.746 23 E HN 0.267 nan 8.360 nan 0.000 0.450 24 F N 1.340 120.861 119.950 -0.715 0.000 2.046 24 F HA -0.257 4.270 4.527 -0.001 0.000 0.297 24 F C 2.085 177.559 175.800 -0.542 0.000 1.123 24 F CA 1.400 58.914 58.000 -0.810 0.000 1.199 24 F CB -0.229 38.204 39.000 -0.945 0.000 0.972 24 F HN 0.006 nan 8.300 nan 0.000 0.474 25 I N 0.651 120.972 120.570 -0.415 0.000 2.208 25 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 25 I C 2.354 178.253 176.117 -0.362 0.000 1.097 25 I CA 1.316 62.337 61.300 -0.465 0.000 1.363 25 I CB -1.539 36.162 38.000 -0.499 0.000 1.051 25 I HN 0.341 nan 8.210 nan 0.000 0.413 26 Q N 0.489 120.113 119.800 -0.293 0.000 2.170 26 Q HA -0.188 4.151 4.340 -0.001 0.000 0.203 26 Q C 1.839 177.721 176.000 -0.196 0.000 0.976 26 Q CA 1.335 57.010 55.803 -0.214 0.000 0.858 26 Q CB -0.404 28.242 28.738 -0.153 0.000 0.907 26 Q HN 0.525 nan 8.270 nan 0.000 0.433 27 D N 0.038 120.301 120.400 -0.228 0.000 2.117 27 D HA -0.063 4.577 4.640 -0.001 0.000 0.198 27 D C 1.988 178.137 176.300 -0.252 0.000 0.982 27 D CA 0.682 54.562 54.000 -0.200 0.000 0.828 27 D CB -0.064 40.632 40.800 -0.173 0.000 0.967 27 D HN 0.265 nan 8.370 nan 0.000 0.464 28 I N 0.500 120.840 120.570 -0.383 0.000 2.353 28 I HA -0.151 4.018 4.170 -0.001 0.000 0.248 28 I C 2.325 178.298 176.117 -0.241 0.000 1.119 28 I CA 0.485 61.564 61.300 -0.368 0.000 1.417 28 I CB -0.010 37.668 38.000 -0.538 0.000 1.078 28 I HN -0.058 nan 8.210 nan 0.000 0.421 29 I N 0.686 121.121 120.570 -0.224 0.000 2.226 29 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 29 I C 2.618 178.664 176.117 -0.118 0.000 1.100 29 I CA 1.388 62.595 61.300 -0.155 0.000 1.374 29 I CB -0.335 37.576 38.000 -0.148 0.000 1.057 29 I HN 0.170 nan 8.210 nan 0.000 0.413 30 R N 0.361 120.790 120.500 -0.118 0.000 2.152 30 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 30 R C 2.151 178.402 176.300 -0.081 0.000 1.117 30 R CA 1.162 57.211 56.100 -0.085 0.000 0.981 30 R CB -0.191 30.064 30.300 -0.074 0.000 0.870 30 R HN 0.406 nan 8.270 nan 0.000 0.451 31 I N -0.049 120.460 120.570 -0.102 0.000 2.385 31 I HA -0.143 4.026 4.170 -0.001 0.000 0.244 31 I C 1.995 178.065 176.117 -0.078 0.000 1.089 31 I CA 0.842 62.089 61.300 -0.088 0.000 1.410 31 I CB 0.095 38.031 38.000 -0.106 0.000 1.117 31 I HN -0.002 nan 8.210 nan 0.000 0.429 32 V N -1.429 118.430 119.914 -0.091 0.000 3.621 32 V HA 0.535 4.655 4.120 -0.001 0.000 0.285 32 V C 0.708 176.767 176.094 -0.058 0.000 1.346 32 V CA 0.061 62.318 62.300 -0.072 0.000 1.104 32 V CB -0.847 30.928 31.823 -0.080 0.000 0.913 32 V HN 0.487 nan 8.190 nan 0.000 0.432 33 G N 1.254 110.018 108.800 -0.061 0.000 2.767 33 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.686 33 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.686 33 G C 0.496 175.367 174.900 -0.048 0.000 1.213 33 G CA 0.345 45.417 45.100 -0.047 0.000 0.803 33 G HN 1.470 nan 8.290 nan 0.000 0.603 34 S N 0.108 115.782 115.700 -0.042 0.000 2.420 34 S HA -0.147 4.322 4.470 -0.001 0.000 0.237 34 S C 1.656 176.243 174.600 -0.021 0.000 1.023 34 S CA 1.983 60.161 58.200 -0.037 0.000 0.991 34 S CB -0.067 63.117 63.200 -0.027 0.000 0.792 34 S HN 0.714 nan 8.310 nan 0.000 0.488 35 E N 1.708 121.900 120.200 -0.014 0.000 2.268 35 E HA 0.057 4.407 4.350 -0.001 0.000 0.195 35 E C 0.778 177.378 176.600 0.000 0.000 0.995 35 E CA 0.471 56.869 56.400 -0.003 0.000 0.836 35 E CB -0.356 29.343 29.700 -0.001 0.000 0.763 35 E HN 0.600 nan 8.360 nan 0.000 0.491 36 N N 0.115 118.807 118.700 -0.012 0.000 2.214 36 N HA 0.060 4.799 4.740 -0.001 0.000 0.214 36 N C -0.741 174.758 175.510 -0.020 0.000 1.132 36 N CA 0.094 53.138 53.050 -0.011 0.000 0.856 36 N CB 1.629 40.102 38.487 -0.023 0.000 1.020 36 N HN -0.134 nan 8.380 nan 0.000 0.509 37 V N 1.067 120.967 119.914 -0.023 0.000 2.398 37 V HA 0.249 4.369 4.120 -0.001 0.000 0.282 37 V C -0.177 175.919 176.094 0.004 0.000 1.014 37 V CA -0.841 61.441 62.300 -0.031 0.000 0.838 37 V CB 2.308 34.083 31.823 -0.080 0.000 1.018 37 V HN 0.038 nan 8.190 nan 0.000 0.432 38 E N 4.039 124.262 120.200 0.039 0.000 2.158 38 E HA 0.587 4.937 4.350 -0.001 0.000 0.271 38 E C -1.327 175.330 176.600 0.095 0.000 0.911 38 E CA -0.517 55.921 56.400 0.063 0.000 0.767 38 E CB 2.166 31.912 29.700 0.076 0.000 1.120 38 E HN 0.438 nan 8.360 nan 0.000 0.405 39 V N 5.569 125.549 119.914 0.109 0.000 2.465 39 V HA 0.196 4.315 4.120 -0.001 0.000 0.279 39 V C 0.139 176.313 176.094 0.133 0.000 1.045 39 V CA -0.691 61.708 62.300 0.165 0.000 0.938 39 V CB 1.208 33.148 31.823 0.195 0.000 0.986 39 V HN 0.623 nan 8.190 nan 0.000 0.467 40 I N 4.264 124.912 120.570 0.129 0.000 2.291 40 I HA 0.364 4.533 4.170 -0.001 0.000 0.290 40 I C 0.579 176.730 176.117 0.055 0.000 1.050 40 I CA 0.573 61.925 61.300 0.088 0.000 1.245 40 I CB 0.298 38.353 38.000 0.091 0.000 1.405 40 I HN 0.555 nan 8.210 nan 0.000 0.478 53 K N 3.088 123.486 120.400 -0.004 0.000 2.423 53 K HA 0.501 4.821 4.320 -0.001 0.000 0.234 53 K C -2.535 174.036 176.600 -0.048 0.000 1.051 53 K CA -1.158 55.111 56.287 -0.029 0.000 1.021 53 K CB 0.503 32.987 32.500 -0.027 0.000 1.474 53 K HN 0.189 nan 8.250 nan 0.000 0.474 54 P HA 0.100 nan 4.420 nan 0.000 0.275 54 P C 0.066 177.257 177.300 -0.183 0.000 1.227 54 P CA -0.261 62.804 63.100 -0.058 0.000 0.781 54 P CB 0.757 32.480 31.700 0.039 0.000 0.906 55 T N 0.683 115.181 114.554 -0.093 0.000 2.899 55 T HA 0.139 4.489 4.350 -0.001 0.000 0.295 55 T C 0.438 175.132 174.700 -0.009 0.000 1.033 55 T CA -0.030 62.019 62.100 -0.084 0.000 1.084 55 T CB 0.005 68.859 68.868 -0.023 0.000 0.979 55 T HN 0.452 nan 8.240 nan 0.000 0.532 56 H N 0.671 119.779 119.070 0.063 0.000 2.923 56 H HA 0.187 4.743 4.556 -0.001 0.000 0.268 56 H C 1.753 177.139 175.328 0.096 0.000 1.148 56 H CA 0.293 56.386 56.048 0.075 0.000 1.146 56 H CB 0.766 30.580 29.762 0.086 0.000 1.607 56 H HN 0.708 nan 8.280 nan 0.000 0.566 57 T N -1.739 112.951 114.554 0.228 0.000 3.023 57 T HA -0.001 4.348 4.350 -0.001 0.000 0.249 57 T C 0.661 175.516 174.700 0.259 0.000 1.050 57 T CA 0.052 62.297 62.100 0.242 0.000 1.088 57 T CB 0.357 69.384 68.868 0.264 0.000 0.946 57 T HN 0.427 nan 8.240 nan 0.000 0.480 58 H N -0.629 118.508 119.070 0.110 0.000 3.037 58 H HA 0.492 5.048 4.556 -0.000 0.000 0.355 58 H C -1.980 173.435 175.328 0.145 0.000 1.263 58 H CA -0.908 55.206 56.048 0.110 0.000 1.129 58 H CB 0.991 30.796 29.762 0.072 0.000 1.861 58 H HN 0.037 nan 8.280 nan 0.000 0.546 59 D N 2.656 123.149 120.400 0.154 0.000 2.434 59 D HA 0.050 4.690 4.640 -0.001 0.000 0.252 59 D C -1.479 174.965 176.300 0.240 0.000 1.185 59 D CA -1.704 52.400 54.000 0.174 0.000 0.886 59 D CB 1.187 42.213 40.800 0.377 0.000 1.148 59 D HN 0.341 nan 8.370 nan 0.000 0.483 60 P HA 0.008 nan 4.420 nan 0.000 0.234 60 P C 0.509 177.903 177.300 0.156 0.000 1.175 60 P CA 0.259 63.447 63.100 0.147 0.000 0.801 60 P CB 0.425 32.106 31.700 -0.032 0.000 0.891 61 T N 1.085 115.733 114.554 0.156 0.000 3.379 61 T HA 0.162 4.511 4.350 -0.001 0.000 0.274 61 T C -0.008 174.877 174.700 0.309 0.000 1.555 61 T CA -0.422 61.726 62.100 0.081 0.000 1.297 61 T CB -1.449 67.380 68.868 -0.065 0.000 1.132 61 T HN 0.200 nan 8.240 nan 0.000 0.722 62 H N 0.481 119.702 119.070 0.251 0.000 3.167 62 H HA 0.112 4.668 4.556 -0.001 0.000 0.306 62 H C 1.353 176.846 175.328 0.275 0.000 0.965 62 H CA -0.487 55.724 56.048 0.273 0.000 1.408 62 H CB 0.634 30.540 29.762 0.239 0.000 1.406 62 H HN 0.340 nan 8.280 nan 0.000 0.576 63 V N -0.290 119.804 119.914 0.299 0.000 3.161 63 V HA 0.111 4.231 4.120 -0.001 0.000 0.228 63 V C 0.639 176.793 176.094 0.099 0.000 1.415 63 V CA -0.246 62.110 62.300 0.093 0.000 1.285 63 V CB 0.336 32.141 31.823 -0.031 0.000 1.100 63 V HN 0.360 nan 8.190 nan 0.000 0.478 64 M N 2.449 122.148 119.600 0.165 0.000 2.310 64 M HA 0.563 5.042 4.480 -0.001 0.000 0.241 64 M C -0.011 176.396 176.300 0.177 0.000 1.162 64 M CA -0.270 55.097 55.300 0.112 0.000 0.958 64 M CB 0.611 33.196 32.600 -0.025 0.000 1.348 64 M HN 0.652 nan 8.290 nan 0.000 0.541 65 D N -0.536 120.000 120.400 0.227 0.000 2.666 65 D HA 0.248 4.888 4.640 -0.001 0.000 0.252 65 D C -0.799 175.565 176.300 0.108 0.000 1.143 65 D CA -0.476 53.615 54.000 0.153 0.000 1.096 65 D CB 0.210 41.071 40.800 0.102 0.000 1.260 65 D HN 0.465 nan 8.370 nan 0.000 0.633 66 Q N -0.411 119.382 119.800 -0.012 0.000 2.333 66 Q HA 0.126 4.466 4.340 -0.001 0.000 0.299 66 Q C -0.502 175.368 176.000 -0.217 0.000 1.067 66 Q CA 1.039 56.786 55.803 -0.094 0.000 0.943 66 Q CB 0.303 28.986 28.738 -0.092 0.000 1.233 66 Q HN 0.443 nan 8.270 nan 0.000 0.401 67 D N -1.148 119.126 120.400 -0.211 0.000 2.139 67 D HA -0.172 4.468 4.640 -0.001 0.000 0.166 67 D C -0.862 175.216 176.300 -0.370 0.000 1.145 67 D CA 1.186 55.007 54.000 -0.297 0.000 1.097 67 D CB -1.079 39.508 40.800 -0.355 0.000 1.164 67 D HN 0.459 nan 8.370 nan 0.000 0.513 68 Y N 0.491 120.605 120.300 -0.310 0.000 2.304 68 Y HA 0.391 4.941 4.550 -0.001 0.000 0.328 68 Y C 0.889 176.471 175.900 -0.531 0.000 1.123 68 Y CA -0.746 56.936 58.100 -0.696 0.000 1.218 68 Y CB 0.195 37.962 38.460 -1.154 0.000 1.207 68 Y HN -0.127 nan 8.280 nan 0.000 0.495 69 F N 0.635 120.692 119.950 0.179 0.000 3.048 69 F HA -0.231 4.296 4.527 -0.000 0.000 0.269 69 F C -0.542 175.268 175.800 0.017 0.000 0.960 69 F CA -0.397 57.617 58.000 0.023 0.000 0.909 69 F CB -1.883 37.104 39.000 -0.022 0.000 0.837 69 F HN 0.244 nan 8.300 nan 0.000 0.768 70 L N 0.692 121.991 121.223 0.127 0.000 2.298 70 L HA 0.885 5.224 4.340 -0.001 0.000 0.284 70 L C 0.420 177.352 176.870 0.103 0.000 1.013 70 L CA -1.048 53.858 54.840 0.109 0.000 0.824 70 L CB 1.003 43.095 42.059 0.055 0.000 1.221 70 L HN 0.229 nan 8.230 nan 0.000 0.418 71 A N 3.277 126.169 122.820 0.120 0.000 2.429 71 A HA 0.438 4.757 4.320 -0.001 0.000 0.242 71 A C 1.109 178.787 177.584 0.158 0.000 1.088 71 A CA 0.456 52.581 52.037 0.147 0.000 0.784 71 A CB 0.095 19.191 19.000 0.161 0.000 1.038 71 A HN 1.031 nan 8.150 nan 0.000 0.501 72 S N -0.135 115.699 115.700 0.224 0.000 2.475 72 S HA 0.531 5.001 4.470 -0.001 0.000 0.224 72 S C 0.610 175.373 174.600 0.272 0.000 1.042 72 S CA 0.635 58.969 58.200 0.223 0.000 0.935 72 S CB -0.167 63.232 63.200 0.331 0.000 0.801 72 S HN 2.045 nan 8.310 nan 0.000 0.509 73 A N 0.263 123.247 122.820 0.274 0.000 2.612 73 A HA 0.736 5.056 4.320 -0.001 0.000 0.293 73 A C -1.821 175.858 177.584 0.157 0.000 1.075 73 A CA -0.877 51.290 52.037 0.218 0.000 0.680 73 A CB 0.778 19.909 19.000 0.219 0.000 1.279 73 A HN 0.236 nan 8.150 nan 0.000 0.411 74 I N 0.298 120.943 120.570 0.124 0.000 2.441 74 I HA 0.624 4.794 4.170 -0.001 0.000 0.295 74 I C -0.533 175.618 176.117 0.055 0.000 0.994 74 I CA -0.703 60.662 61.300 0.109 0.000 1.144 74 I CB 1.975 40.061 38.000 0.144 0.000 1.314 74 I HN 0.283 nan 8.210 nan 0.000 0.445 75 V N 4.643 124.571 119.914 0.025 0.000 2.577 75 V HA 0.759 4.878 4.120 -0.001 0.000 0.303 75 V C -0.285 175.796 176.094 -0.022 0.000 1.042 75 V CA -0.695 61.592 62.300 -0.022 0.000 0.872 75 V CB 1.803 33.581 31.823 -0.074 0.000 0.998 75 V HN 0.835 nan 8.190 nan 0.000 0.423 76 A N 7.601 130.408 122.820 -0.020 0.000 2.316 76 A HA 0.823 5.143 4.320 -0.001 0.000 0.324 76 A C -2.560 175.004 177.584 -0.033 0.000 1.375 76 A CA -1.669 50.357 52.037 -0.019 0.000 0.882 76 A CB 0.530 19.533 19.000 0.006 0.000 1.152 76 A HN 0.554 nan 8.150 nan 0.000 0.512 77 P HA 0.130 nan 4.420 nan 0.000 0.269 77 P C 0.365 177.645 177.300 -0.034 0.000 1.209 77 P CA -0.059 63.014 63.100 -0.046 0.000 0.776 77 P CB 0.860 32.531 31.700 -0.049 0.000 0.876 78 R N 1.603 122.083 120.500 -0.034 0.000 2.127 78 R HA 0.065 4.404 4.340 -0.001 0.000 0.217 78 R C 1.161 177.448 176.300 -0.021 0.000 1.074 78 R CA 0.915 57.001 56.100 -0.024 0.000 0.991 78 R CB -0.093 30.192 30.300 -0.025 0.000 0.895 78 R HN 0.717 nan 8.270 nan 0.000 0.450 79 N N -2.952 115.733 118.700 -0.026 0.000 3.378 79 N HA 0.030 4.770 4.740 -0.001 0.000 0.294 79 N C 0.366 175.858 175.510 -0.028 0.000 1.544 79 N CA -0.684 52.352 53.050 -0.023 0.000 0.872 79 N CB 1.035 39.510 38.487 -0.019 0.000 1.670 79 N HN -0.346 nan 8.380 nan 0.000 0.551 80 V N 0.484 120.382 119.914 -0.026 0.000 2.332 80 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 80 V C 2.742 178.815 176.094 -0.035 0.000 1.055 80 V CA 2.761 65.042 62.300 -0.031 0.000 1.038 80 V CB -1.338 30.467 31.823 -0.031 0.000 0.651 80 V HN 0.821 nan 8.190 nan 0.000 0.450 81 A N -0.080 122.721 122.820 -0.033 0.000 1.917 81 A HA -0.301 4.019 4.320 -0.001 0.000 0.219 81 A C 1.964 179.525 177.584 -0.038 0.000 1.182 81 A CA 2.255 54.272 52.037 -0.034 0.000 0.633 81 A CB -0.712 18.270 19.000 -0.031 0.000 0.819 81 A HN 0.553 nan 8.150 nan 0.000 0.448 82 D N -0.411 119.964 120.400 -0.042 0.000 2.144 82 D HA -0.097 4.543 4.640 -0.001 0.000 0.199 82 D C 1.998 178.265 176.300 -0.055 0.000 0.984 82 D CA 1.353 55.321 54.000 -0.052 0.000 0.834 82 D CB -0.395 40.373 40.800 -0.054 0.000 0.955 82 D HN 0.242 nan 8.370 nan 0.000 0.465 83 V N 0.829 120.715 119.914 -0.047 0.000 2.407 83 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 83 V C 2.410 178.482 176.094 -0.036 0.000 1.055 83 V CA 1.491 63.764 62.300 -0.044 0.000 1.049 83 V CB -0.496 31.301 31.823 -0.044 0.000 0.662 83 V HN 0.233 nan 8.190 nan 0.000 0.455 84 Q N -0.218 119.562 119.800 -0.034 0.000 2.079 84 Q HA -0.154 4.186 4.340 -0.001 0.000 0.200 84 Q C 2.523 178.510 176.000 -0.022 0.000 0.974 84 Q CA 1.872 57.660 55.803 -0.026 0.000 0.840 84 Q CB -0.238 28.484 28.738 -0.028 0.000 0.898 84 Q HN 0.609 nan 8.270 nan 0.000 0.430 85 S N 0.945 116.625 115.700 -0.034 0.000 2.355 85 S HA -0.073 4.396 4.470 -0.001 0.000 0.222 85 S C 1.993 176.565 174.600 -0.047 0.000 1.031 85 S CA 0.836 59.013 58.200 -0.038 0.000 0.993 85 S CB -0.177 62.990 63.200 -0.053 0.000 0.859 85 S HN 0.286 nan 8.310 nan 0.000 0.453 86 I N 1.315 121.843 120.570 -0.070 0.000 2.335 86 I HA -0.140 4.030 4.170 -0.001 0.000 0.251 86 I C 2.092 178.211 176.117 0.003 0.000 1.129 86 I CA 0.813 62.061 61.300 -0.086 0.000 1.402 86 I CB -0.467 37.470 38.000 -0.105 0.000 1.069 86 I HN 0.145 nan 8.210 nan 0.000 0.424 87 V N 1.079 121.003 119.914 0.017 0.000 2.358 87 V HA -0.175 3.944 4.120 -0.001 0.000 0.246 87 V C 2.636 178.778 176.094 0.079 0.000 1.047 87 V CA 2.068 64.401 62.300 0.054 0.000 1.035 87 V CB -1.266 30.574 31.823 0.029 0.000 0.658 87 V HN 0.558 nan 8.190 nan 0.000 0.452 88 G N 0.148 108.979 108.800 0.053 0.000 2.491 88 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 88 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 88 G C 1.565 176.536 174.900 0.119 0.000 1.180 88 G CA 1.269 46.406 45.100 0.062 0.000 0.774 88 G HN 0.484 nan 8.290 nan 0.000 0.562 89 L N 0.673 121.982 121.223 0.144 0.000 2.093 89 L HA 0.034 4.374 4.340 -0.001 0.000 0.208 89 L C 3.364 180.533 176.870 0.499 0.000 1.085 89 L CA 0.910 55.932 54.840 0.303 0.000 0.755 89 L CB -0.345 41.783 42.059 0.114 0.000 0.904 89 L HN 0.297 nan 8.230 nan 0.000 0.435 90 A N -0.031 123.035 122.820 0.409 0.000 1.930 90 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 90 A C 2.110 179.878 177.584 0.306 0.000 1.175 90 A CA 1.565 53.869 52.037 0.445 0.000 0.627 90 A CB -0.471 18.728 19.000 0.331 0.000 0.815 90 A HN 0.411 nan 8.150 nan 0.000 0.443 91 N N -0.193 118.632 118.700 0.208 0.000 2.188 91 N HA -0.141 4.598 4.740 -0.001 0.000 0.184 91 N C 1.748 177.320 175.510 0.103 0.000 1.018 91 N CA 1.578 54.707 53.050 0.132 0.000 0.858 91 N CB -0.230 38.309 38.487 0.087 0.000 0.989 91 N HN 0.704 nan 8.380 nan 0.000 0.426 92 K N 0.096 120.561 120.400 0.109 0.000 2.001 92 K HA -0.044 4.276 4.320 -0.001 0.000 0.208 92 K C 1.292 177.802 176.600 -0.149 0.000 1.048 92 K CA 1.243 57.500 56.287 -0.051 0.000 0.932 92 K CB -0.139 32.295 32.500 -0.110 0.000 0.715 92 K HN 0.000 nan 8.250 nan 0.000 0.437 93 F N 0.793 120.838 119.950 0.158 0.000 2.776 93 F HA 0.226 4.752 4.527 -0.001 0.000 0.300 93 F C 0.396 176.247 175.800 0.084 0.000 1.116 93 F CA 0.138 58.218 58.000 0.132 0.000 1.375 93 F CB 0.445 39.553 39.000 0.179 0.000 1.109 93 F HN -0.126 nan 8.300 nan 0.000 0.585 94 S N 0.534 116.372 115.700 0.230 0.000 3.766 94 S HA -0.226 4.243 4.470 -0.001 0.000 0.416 94 S C -0.552 174.127 174.600 0.133 0.000 0.902 94 S CA -0.084 58.204 58.200 0.147 0.000 1.283 94 S CB -1.689 61.551 63.200 0.066 0.000 0.891 94 S HN 0.273 nan 8.310 nan 0.000 0.556 95 F N 3.118 123.106 119.950 0.063 0.000 2.477 95 F HA 0.524 5.050 4.527 -0.001 0.000 0.335 95 F C -2.434 173.411 175.800 0.075 0.000 1.130 95 F CA -2.122 55.855 58.000 -0.039 0.000 0.948 95 F CB 1.511 40.255 39.000 -0.427 0.000 1.154 95 F HN -0.017 nan 8.300 nan 0.000 0.439 96 P HA 0.230 nan 4.420 nan 0.000 0.271 96 P C -0.936 176.624 177.300 0.434 0.000 1.216 96 P CA 0.123 63.423 63.100 0.334 0.000 0.771 96 P CB 0.829 32.667 31.700 0.229 0.000 0.864 97 L N 3.021 124.419 121.223 0.292 0.000 2.325 97 L HA 0.533 4.873 4.340 -0.001 0.000 0.278 97 L C -0.056 176.970 176.870 0.260 0.000 1.023 97 L CA -0.518 54.470 54.840 0.247 0.000 0.811 97 L CB 1.881 44.029 42.059 0.150 0.000 1.249 97 L HN 0.450 nan 8.230 nan 0.000 0.431 98 W N 6.115 127.440 121.300 0.041 0.000 2.453 98 W HA 0.355 5.014 4.660 -0.000 0.000 0.310 98 W C -2.639 173.865 176.519 -0.024 0.000 1.000 98 W CA -1.883 55.458 57.345 -0.007 0.000 1.367 98 W CB 1.950 31.413 29.460 0.004 0.000 1.269 98 W HN 0.215 nan 8.180 nan 0.000 0.418 99 P HA 0.167 nan 4.420 nan 0.000 0.282 99 P C -0.416 176.700 177.300 -0.306 0.000 1.274 99 P CA 0.367 63.309 63.100 -0.263 0.000 0.770 99 P CB 1.194 32.744 31.700 -0.250 0.000 0.867 100 I N -0.361 120.119 120.570 -0.150 0.000 2.846 100 I HA 0.527 4.697 4.170 -0.001 0.000 0.307 100 I C 0.623 176.678 176.117 -0.103 0.000 1.053 100 I CA -0.744 60.486 61.300 -0.117 0.000 1.050 100 I CB 2.004 39.979 38.000 -0.041 0.000 1.239 100 I HN -0.023 nan 8.210 nan 0.000 0.439 101 S N 2.530 118.188 115.700 -0.071 0.000 2.517 101 S HA 0.341 4.811 4.470 -0.001 0.000 0.228 101 S C 1.219 175.805 174.600 -0.024 0.000 1.060 101 S CA 0.429 58.598 58.200 -0.052 0.000 0.937 101 S CB 0.211 63.386 63.200 -0.042 0.000 0.840 101 S HN 0.676 nan 8.310 nan 0.000 0.546 102 I N -0.676 119.904 120.570 0.017 0.000 4.228 102 I HA 0.261 4.431 4.170 -0.001 0.000 0.298 102 I C 1.558 177.762 176.117 0.144 0.000 1.206 102 I CA 1.118 62.466 61.300 0.080 0.000 1.322 102 I CB -0.742 37.315 38.000 0.095 0.000 1.411 102 I HN 0.465 nan 8.210 nan 0.000 0.454 103 G N 1.988 110.867 108.800 0.132 0.000 2.137 103 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.237 103 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.237 103 G C 1.087 176.097 174.900 0.185 0.000 1.002 103 G CA 0.611 45.818 45.100 0.177 0.000 0.702 103 G HN 0.302 nan 8.290 nan 0.000 0.515 104 R N -0.450 120.152 120.500 0.170 0.000 2.240 104 R HA 0.067 4.407 4.340 -0.001 0.000 0.203 104 R C 1.125 177.522 176.300 0.161 0.000 1.011 104 R CA 0.390 56.583 56.100 0.155 0.000 1.007 104 R CB 0.020 30.415 30.300 0.159 0.000 0.911 104 R HN 0.230 nan 8.270 nan 0.000 0.468 105 N N 1.402 120.219 118.700 0.194 0.000 3.124 105 N HA -0.040 4.700 4.740 -0.001 0.000 0.284 105 N C -1.015 174.593 175.510 0.162 0.000 1.209 105 N CA 0.081 53.273 53.050 0.237 0.000 1.149 105 N CB 0.354 39.055 38.487 0.357 0.000 1.434 105 N HN 0.041 nan 8.380 nan 0.000 0.529 106 S N 0.481 116.218 115.700 0.061 0.000 2.552 106 S HA 0.340 4.810 4.470 -0.001 0.000 0.289 106 S C 1.358 175.770 174.600 -0.312 0.000 1.304 106 S CA 0.919 59.071 58.200 -0.079 0.000 1.063 106 S CB 0.510 63.647 63.200 -0.106 0.000 0.848 106 S HN 0.706 nan 8.310 nan 0.000 0.499 107 G N 3.069 111.681 108.800 -0.314 0.000 2.316 107 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.203 107 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.203 107 G C 0.257 175.022 174.900 -0.225 0.000 0.999 107 G CA 0.311 45.025 45.100 -0.644 0.000 0.649 107 G HN 0.744 nan 8.290 nan 0.000 0.489 108 Y N 0.128 120.534 120.300 0.176 0.000 2.563 108 Y HA 0.480 5.029 4.550 -0.001 0.000 0.250 108 Y C 1.886 177.769 175.900 -0.029 0.000 1.126 108 Y CA 0.025 58.233 58.100 0.180 0.000 1.231 108 Y CB 1.164 39.731 38.460 0.178 0.000 1.288 108 Y HN 1.171 nan 8.280 nan 0.000 0.537 109 G N -0.346 108.531 108.800 0.128 0.000 2.148 109 G HA2 0.055 4.014 3.960 -0.001 0.000 0.203 109 G HA3 0.055 4.014 3.960 -0.001 0.000 0.203 109 G C 0.959 175.847 174.900 -0.020 0.000 0.993 109 G CA 0.174 45.216 45.100 -0.097 0.000 0.661 109 G HN 0.912 nan 8.290 nan 0.000 0.518 110 G N 0.110 108.952 108.800 0.071 0.000 2.581 110 G HA2 0.129 4.088 3.960 -0.001 0.000 0.291 110 G HA3 0.129 4.088 3.960 -0.001 0.000 0.291 110 G C 1.338 176.310 174.900 0.121 0.000 1.277 110 G CA 2.175 47.332 45.100 0.095 0.000 0.959 110 G HN 1.959 nan 8.290 nan 0.000 0.554 111 A N 0.198 123.102 122.820 0.139 0.000 2.278 111 A HA 0.685 5.005 4.320 -0.001 0.000 0.212 111 A C 1.610 179.264 177.584 0.117 0.000 1.213 111 A CA 1.642 53.798 52.037 0.198 0.000 0.840 111 A CB -0.762 18.360 19.000 0.203 0.000 0.866 111 A HN 2.387 nan 8.150 nan 0.000 0.489 112 A N 1.639 124.439 122.820 -0.034 0.000 2.498 112 A HA 0.486 4.806 4.320 -0.001 0.000 0.239 112 A C -2.254 174.932 177.584 -0.663 0.000 1.068 112 A CA -0.897 51.035 52.037 -0.174 0.000 0.766 112 A CB -0.151 18.800 19.000 -0.080 0.000 1.003 112 A HN 0.310 nan 8.150 nan 0.000 0.497 113 P HA 0.231 nan 4.420 nan 0.000 0.278 113 P C 0.312 176.992 177.300 -1.034 0.000 1.238 113 P CA -0.448 61.752 63.100 -1.500 0.000 0.794 113 P CB 1.091 32.498 31.700 -0.490 0.000 0.955 114 R N 2.922 122.642 120.500 -1.300 0.000 2.092 114 R HA -0.030 4.310 4.340 -0.001 0.000 0.231 114 R C 0.445 176.797 176.300 0.086 0.000 1.119 114 R CA 1.249 57.084 56.100 -0.442 0.000 0.970 114 R CB -1.125 28.950 30.300 -0.374 0.000 0.864 114 R HN 0.406 nan 8.270 nan 0.000 0.440 115 V N 0.215 120.118 119.914 -0.019 0.000 2.435 115 V HA 0.529 4.649 4.120 -0.001 0.000 0.290 115 V C -0.550 175.641 176.094 0.161 0.000 1.030 115 V CA -0.820 61.575 62.300 0.158 0.000 0.881 115 V CB 1.872 33.639 31.823 -0.092 0.000 0.983 115 V HN 0.263 nan 8.190 nan 0.000 0.445 116 S N 4.201 120.050 115.700 0.249 0.000 2.572 116 S HA 0.555 5.024 4.470 -0.001 0.000 0.279 116 S C 1.318 176.010 174.600 0.154 0.000 1.341 116 S CA 0.552 58.848 58.200 0.160 0.000 1.043 116 S CB 0.936 64.196 63.200 0.099 0.000 0.887 116 S HN 2.319 nan 8.310 nan 0.000 0.516 117 G N 1.598 110.477 108.800 0.131 0.000 2.217 117 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.246 117 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.246 117 G C 0.260 175.352 174.900 0.321 0.000 0.990 117 G CA 0.091 45.275 45.100 0.139 0.000 0.627 117 G HN 0.717 nan 8.290 nan 0.000 0.522 118 S N -0.590 115.287 115.700 0.294 0.000 2.589 118 S HA 0.441 4.910 4.470 -0.001 0.000 0.265 118 S C 0.597 175.467 174.600 0.450 0.000 1.342 118 S CA -0.009 58.443 58.200 0.421 0.000 1.005 118 S CB 1.961 65.330 63.200 0.281 0.000 0.909 118 S HN 0.709 nan 8.310 nan 0.000 0.555 119 V N 3.165 123.319 119.914 0.399 0.000 2.348 119 V HA 0.169 4.289 4.120 -0.001 0.000 0.270 119 V C 0.018 176.239 176.094 0.210 0.000 1.037 119 V CA -0.530 61.892 62.300 0.203 0.000 0.872 119 V CB 0.886 32.717 31.823 0.012 0.000 1.002 119 V HN 0.657 nan 8.190 nan 0.000 0.464 120 V N 6.667 126.702 119.914 0.202 0.000 2.585 120 V HA 0.083 4.202 4.120 -0.001 0.000 0.296 120 V C 0.185 176.347 176.094 0.113 0.000 1.035 120 V CA -0.100 62.328 62.300 0.212 0.000 1.084 120 V CB 1.170 33.107 31.823 0.190 0.000 0.953 120 V HN 0.610 nan 8.190 nan 0.000 0.483 121 L N 4.916 126.186 121.223 0.079 0.000 2.287 121 L HA 0.400 4.739 4.340 -0.001 0.000 0.280 121 L C 0.145 176.988 176.870 -0.045 0.000 1.055 121 L CA -0.064 54.779 54.840 0.005 0.000 0.863 121 L CB 0.847 42.901 42.059 -0.008 0.000 1.245 121 L HN 0.677 nan 8.230 nan 0.000 0.432 122 D N 4.678 125.040 120.400 -0.063 0.000 2.455 122 D HA 0.012 4.651 4.640 -0.001 0.000 0.234 122 D C 1.043 177.299 176.300 -0.073 0.000 1.224 122 D CA -0.025 53.903 54.000 -0.120 0.000 0.999 122 D CB 0.637 41.372 40.800 -0.108 0.000 1.072 122 D HN 0.437 nan 8.370 nan 0.000 0.514 123 M N 1.980 121.534 119.600 -0.075 0.000 2.319 123 M HA 0.045 4.525 4.480 -0.001 0.000 0.265 123 M C 1.929 178.205 176.300 -0.041 0.000 1.068 123 M CA 0.558 55.824 55.300 -0.057 0.000 1.118 123 M CB -0.546 32.014 32.600 -0.066 0.000 1.395 123 M HN 0.420 nan 8.290 nan 0.000 0.435 124 G N 0.323 109.101 108.800 -0.037 0.000 2.430 124 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.216 124 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.216 124 G C 1.691 176.597 174.900 0.011 0.000 1.146 124 G CA 0.576 45.669 45.100 -0.012 0.000 0.793 124 G HN 0.443 nan 8.290 nan 0.000 0.537 125 K N 0.575 120.987 120.400 0.020 0.000 2.009 125 K HA -0.132 4.188 4.320 -0.001 0.000 0.210 125 K C 1.965 178.578 176.600 0.021 0.000 1.049 125 K CA 1.772 58.083 56.287 0.040 0.000 0.929 125 K CB -0.087 32.446 32.500 0.055 0.000 0.714 125 K HN 0.231 nan 8.250 nan 0.000 0.440 126 N N -0.389 118.315 118.700 0.007 0.000 2.454 126 N HA 0.055 4.795 4.740 -0.001 0.000 0.177 126 N C 0.074 175.582 175.510 -0.004 0.000 1.049 126 N CA 0.448 53.499 53.050 0.002 0.000 0.887 126 N CB 0.382 38.867 38.487 -0.003 0.000 1.095 126 N HN 0.196 nan 8.380 nan 0.000 0.446 127 M N 1.170 120.763 119.600 -0.011 0.000 2.923 127 M HA 0.223 4.702 4.480 -0.001 0.000 0.311 127 M C 0.531 176.819 176.300 -0.020 0.000 1.376 127 M CA 0.050 55.340 55.300 -0.016 0.000 1.468 127 M CB 0.162 32.749 32.600 -0.021 0.000 1.151 127 M HN 0.021 nan 8.290 nan 0.000 0.517 128 N N 0.763 119.454 118.700 -0.015 0.000 2.220 128 N HA 0.127 4.867 4.740 -0.001 0.000 0.195 128 N C -0.161 175.332 175.510 -0.027 0.000 1.123 128 N CA -0.132 52.909 53.050 -0.015 0.000 0.874 128 N CB 0.806 39.294 38.487 0.002 0.000 0.995 128 N HN 0.503 nan 8.380 nan 0.000 0.498 129 R N 1.195 121.674 120.500 -0.034 0.000 2.389 129 R HA 0.222 4.562 4.340 -0.001 0.000 0.295 129 R C -0.266 175.967 176.300 -0.113 0.000 1.075 129 R CA -0.286 55.782 56.100 -0.052 0.000 1.005 129 R CB 1.569 31.851 30.300 -0.030 0.000 0.987 129 R HN -0.146 nan 8.270 nan 0.000 0.452 130 V N 6.063 125.865 119.914 -0.187 0.000 2.403 130 V HA -0.036 4.084 4.120 -0.001 0.000 0.265 130 V C 1.464 177.377 176.094 -0.302 0.000 1.034 130 V CA 0.414 62.493 62.300 -0.368 0.000 1.036 130 V CB 0.156 31.494 31.823 -0.809 0.000 1.032 130 V HN 0.752 nan 8.190 nan 0.000 0.478 131 L N 3.216 124.316 121.223 -0.205 0.000 2.179 131 L HA 0.220 4.559 4.340 -0.001 0.000 0.208 131 L C 1.061 177.866 176.870 -0.107 0.000 1.096 131 L CA 1.015 55.787 54.840 -0.112 0.000 0.779 131 L CB 0.151 42.176 42.059 -0.056 0.000 0.922 131 L HN 0.722 nan 8.230 nan 0.000 0.443 132 E N -0.343 119.756 120.200 -0.168 0.000 2.481 132 E HA 0.238 4.587 4.350 -0.001 0.000 0.301 132 E C -1.804 174.698 176.600 -0.163 0.000 0.948 132 E CA -0.305 56.026 56.400 -0.114 0.000 0.804 132 E CB 1.996 31.674 29.700 -0.037 0.000 1.265 132 E HN -0.252 nan 8.360 nan 0.000 0.406 133 V N 4.992 124.831 119.914 -0.125 0.000 2.334 133 V HA 0.347 4.467 4.120 -0.001 0.000 0.281 133 V C -0.075 175.897 176.094 -0.204 0.000 1.016 133 V CA -0.815 61.404 62.300 -0.134 0.000 0.832 133 V CB 1.341 33.180 31.823 0.027 0.000 0.999 133 V HN 0.556 nan 8.190 nan 0.000 0.439 134 N N 4.367 122.797 118.700 -0.451 0.000 2.469 134 N HA 0.242 4.981 4.740 -0.001 0.000 0.253 134 N C 0.657 175.949 175.510 -0.363 0.000 0.970 134 N CA -0.244 52.508 53.050 -0.498 0.000 0.940 134 N CB 2.194 40.098 38.487 -0.972 0.000 1.128 134 N HN 0.321 nan 8.380 nan 0.000 0.503 135 V N 4.251 124.053 119.914 -0.186 0.000 2.270 135 V HA -0.239 3.880 4.120 -0.001 0.000 0.245 135 V C 2.216 178.251 176.094 -0.099 0.000 1.043 135 V CA 2.200 64.428 62.300 -0.119 0.000 1.014 135 V CB -0.581 31.198 31.823 -0.074 0.000 0.645 135 V HN 0.801 nan 8.190 nan 0.000 0.447 136 E N 1.143 121.295 120.200 -0.079 0.000 2.268 136 E HA -0.082 4.268 4.350 -0.001 0.000 0.195 136 E C 2.041 178.626 176.600 -0.025 0.000 0.995 136 E CA 1.481 57.853 56.400 -0.046 0.000 0.836 136 E CB -0.498 29.186 29.700 -0.026 0.000 0.763 136 E HN 0.500 nan 8.360 nan 0.000 0.491 137 G N 0.631 109.420 108.800 -0.018 0.000 2.595 137 G HA2 0.247 4.207 3.960 -0.001 0.000 0.213 137 G HA3 0.247 4.207 3.960 -0.001 0.000 0.213 137 G C 0.721 175.680 174.900 0.098 0.000 1.141 137 G CA -0.025 45.144 45.100 0.114 0.000 0.806 137 G HN 0.751 nan 8.290 nan 0.000 0.530 138 A N -1.480 121.318 122.820 -0.037 0.000 2.632 138 A HA 0.109 4.429 4.320 -0.001 0.000 0.294 138 A C -0.033 177.654 177.584 0.172 0.000 1.447 138 A CA 1.028 53.067 52.037 0.003 0.000 0.728 138 A CB -2.594 16.403 19.000 -0.005 0.000 1.102 138 A HN 2.044 nan 8.150 nan 0.000 0.422 139 Y N -2.797 117.545 120.300 0.071 0.000 2.656 139 Y HA 0.698 5.248 4.550 -0.001 0.000 0.334 139 Y C -0.140 175.751 175.900 -0.016 0.000 1.179 139 Y CA -1.512 56.648 58.100 0.101 0.000 1.050 139 Y CB 0.027 38.602 38.460 0.192 0.000 1.308 139 Y HN 1.313 nan 8.280 nan 0.000 0.456 140 C N 0.351 119.745 119.300 0.157 0.000 2.913 140 C HA 0.978 5.437 4.460 -0.001 0.000 0.322 140 C C -0.987 173.953 174.990 -0.083 0.000 1.292 140 C CA -1.177 57.826 59.018 -0.025 0.000 1.649 140 C CB 1.259 28.944 27.740 -0.092 0.000 2.139 140 C HN 0.852 nan 8.230 nan 0.000 0.475 141 V N 1.146 120.936 119.914 -0.205 0.000 2.588 141 V HA 0.802 4.922 4.120 -0.001 0.000 0.304 141 V C -0.454 175.494 176.094 -0.243 0.000 1.042 141 V CA -0.279 61.812 62.300 -0.348 0.000 0.877 141 V CB 1.465 32.992 31.823 -0.495 0.000 0.996 141 V HN 0.927 nan 8.190 nan 0.000 0.425 142 V N 3.854 123.639 119.914 -0.215 0.000 3.007 142 V HA 0.538 4.658 4.120 -0.001 0.000 0.311 142 V C -0.459 175.567 176.094 -0.113 0.000 1.120 142 V CA -0.499 61.703 62.300 -0.164 0.000 0.980 142 V CB 2.681 34.398 31.823 -0.177 0.000 1.033 142 V HN 0.981 nan 8.190 nan 0.000 0.429 143 E N 4.676 124.821 120.200 -0.091 0.000 2.250 143 E HA 0.350 4.700 4.350 -0.001 0.000 0.265 143 E C -1.834 174.724 176.600 -0.071 0.000 1.033 143 E CA -1.675 54.688 56.400 -0.061 0.000 0.888 143 E CB 1.420 31.095 29.700 -0.042 0.000 1.151 143 E HN 0.412 nan 8.360 nan 0.000 0.412 144 P HA -0.191 nan 4.420 nan 0.000 0.217 144 P C 1.157 178.422 177.300 -0.058 0.000 1.151 144 P CA 1.433 64.496 63.100 -0.062 0.000 0.849 144 P CB 0.037 31.704 31.700 -0.056 0.000 0.787 145 G N -0.799 107.974 108.800 -0.045 0.000 2.534 145 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.217 145 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.217 145 G C 0.412 175.293 174.900 -0.031 0.000 1.128 145 G CA -0.034 45.050 45.100 -0.026 0.000 0.784 145 G HN 0.188 nan 8.290 nan 0.000 0.542 146 V N 2.939 122.816 119.914 -0.063 0.000 2.409 146 V HA 0.166 4.286 4.120 -0.001 0.000 0.270 146 V C 1.267 177.297 176.094 -0.107 0.000 1.019 146 V CA 0.318 62.574 62.300 -0.075 0.000 1.066 146 V CB -0.417 31.335 31.823 -0.118 0.000 1.021 146 V HN 0.452 nan 8.190 nan 0.000 0.476 147 T N 2.342 116.871 114.554 -0.041 0.000 2.770 147 T HA 0.218 4.568 4.350 -0.001 0.000 0.281 147 T C 0.962 175.614 174.700 -0.080 0.000 0.981 147 T CA -0.114 61.953 62.100 -0.054 0.000 0.955 147 T CB 0.514 69.429 68.868 0.079 0.000 1.060 147 T HN 0.378 nan 8.240 nan 0.000 0.531 148 Y N -0.100 120.193 120.300 -0.010 0.000 2.224 148 Y HA -0.034 4.516 4.550 -0.001 0.000 0.289 148 Y C 2.763 178.686 175.900 0.039 0.000 1.146 148 Y CA 1.786 59.871 58.100 -0.025 0.000 1.182 148 Y CB -0.916 37.489 38.460 -0.092 0.000 0.983 148 Y HN 0.850 nan 8.280 nan 0.000 0.524 149 H N -0.758 118.445 119.070 0.222 0.000 2.321 149 H HA -0.167 4.389 4.556 -0.001 0.000 0.300 149 H C 1.740 177.173 175.328 0.175 0.000 1.087 149 H CA 1.224 57.378 56.048 0.175 0.000 1.319 149 H CB 0.012 29.852 29.762 0.131 0.000 1.379 149 H HN 0.236 nan 8.280 nan 0.000 0.501 150 D N 0.518 121.071 120.400 0.256 0.000 2.123 150 D HA -0.141 4.499 4.640 -0.001 0.000 0.196 150 D C 2.150 178.551 176.300 0.169 0.000 0.992 150 D CA 0.686 54.789 54.000 0.171 0.000 0.833 150 D CB -0.373 40.487 40.800 0.100 0.000 0.954 150 D HN 0.185 nan 8.370 nan 0.000 0.455 151 L N 0.436 121.741 121.223 0.136 0.000 2.141 151 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 151 L C 2.145 179.134 176.870 0.199 0.000 1.094 151 L CA 1.642 56.555 54.840 0.122 0.000 0.763 151 L CB -0.588 41.496 42.059 0.041 0.000 0.908 151 L HN 0.164 nan 8.230 nan 0.000 0.437 152 H N -0.626 118.525 119.070 0.134 0.000 2.293 152 H HA -0.132 4.423 4.556 -0.001 0.000 0.300 152 H C 1.692 177.078 175.328 0.098 0.000 1.082 152 H CA 1.777 57.892 56.048 0.111 0.000 1.308 152 H CB 0.303 30.137 29.762 0.120 0.000 1.375 152 H HN 0.381 nan 8.280 nan 0.000 0.495 153 N N 0.353 119.118 118.700 0.109 0.000 2.166 153 N HA -0.170 4.569 4.740 -0.001 0.000 0.186 153 N C 1.866 177.371 175.510 -0.008 0.000 1.019 153 N CA 0.905 53.970 53.050 0.025 0.000 0.856 153 N CB -0.862 37.680 38.487 0.092 0.000 0.993 153 N HN 0.448 nan 8.380 nan 0.000 0.426 154 Y N 1.666 121.950 120.300 -0.026 0.000 2.165 154 Y HA -0.096 4.454 4.550 -0.001 0.000 0.286 154 Y C 2.138 178.000 175.900 -0.064 0.000 1.155 154 Y CA 1.391 59.470 58.100 -0.034 0.000 1.164 154 Y CB -0.214 38.234 38.460 -0.020 0.000 0.978 154 Y HN -0.011 nan 8.280 nan 0.000 0.513 155 L N -0.401 120.836 121.223 0.024 0.000 2.109 155 L HA -0.164 4.176 4.340 -0.001 0.000 0.207 155 L C 2.317 179.087 176.870 -0.166 0.000 1.086 155 L CA 1.482 56.289 54.840 -0.054 0.000 0.760 155 L CB -0.592 41.448 42.059 -0.031 0.000 0.910 155 L HN 0.272 nan 8.230 nan 0.000 0.437 156 E N 0.456 120.520 120.200 -0.226 0.000 2.106 156 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 156 E C 2.108 178.611 176.600 -0.162 0.000 0.984 156 E CA 1.111 57.388 56.400 -0.204 0.000 0.806 156 E CB -0.033 29.518 29.700 -0.248 0.000 0.750 156 E HN 0.446 nan 8.360 nan 0.000 0.458 157 A N 0.872 123.579 122.820 -0.189 0.000 2.235 157 A HA -0.047 4.273 4.320 -0.001 0.000 0.208 157 A C 1.054 178.504 177.584 -0.223 0.000 1.172 157 A CA 0.728 52.654 52.037 -0.185 0.000 0.786 157 A CB -0.136 18.752 19.000 -0.187 0.000 0.804 157 A HN 0.112 nan 8.150 nan 0.000 0.479 158 N N -0.087 118.460 118.700 -0.254 0.000 2.238 158 N HA 0.099 4.839 4.740 -0.001 0.000 0.235 158 N C -0.185 175.248 175.510 -0.129 0.000 1.209 158 N CA -0.101 52.817 53.050 -0.220 0.000 0.879 158 N CB 0.476 38.779 38.487 -0.306 0.000 1.136 158 N HN 0.260 nan 8.380 nan 0.000 0.517 159 N N -0.220 118.416 118.700 -0.107 0.000 2.828 159 N HA -0.177 4.562 4.740 -0.001 0.000 0.248 159 N C 0.258 175.740 175.510 -0.046 0.000 1.044 159 N CA 0.646 53.656 53.050 -0.067 0.000 0.851 159 N CB -1.298 37.158 38.487 -0.053 0.000 1.136 159 N HN 0.343 nan 8.380 nan 0.000 0.572 160 L N 0.351 121.544 121.223 -0.049 0.000 2.554 160 L HA 0.108 4.448 4.340 -0.001 0.000 0.226 160 L C 2.441 179.323 176.870 0.019 0.000 1.137 160 L CA 0.309 55.141 54.840 -0.014 0.000 0.863 160 L CB -0.206 41.852 42.059 -0.002 0.000 0.985 160 L HN 0.166 nan 8.230 nan 0.000 0.451 161 R N 0.805 121.304 120.500 -0.002 0.000 2.133 161 R HA -0.200 4.140 4.340 -0.001 0.000 0.247 161 R C 0.647 177.025 176.300 0.130 0.000 1.151 161 R CA 1.848 57.965 56.100 0.028 0.000 0.971 161 R CB -0.018 30.261 30.300 -0.035 0.000 0.866 161 R HN 0.333 nan 8.270 nan 0.000 0.447 162 D N -0.683 119.775 120.400 0.096 0.000 2.358 162 D HA 0.047 4.687 4.640 -0.001 0.000 0.224 162 D C 0.669 177.012 176.300 0.071 0.000 1.123 162 D CA 0.389 54.462 54.000 0.122 0.000 0.833 162 D CB 0.651 41.496 40.800 0.075 0.000 0.946 162 D HN 0.320 nan 8.370 nan 0.000 0.505 163 K N -0.593 119.840 120.400 0.055 0.000 2.443 163 K HA 0.265 4.584 4.320 -0.001 0.000 0.200 163 K C 0.497 177.080 176.600 -0.028 0.000 1.278 163 K CA 0.171 56.453 56.287 -0.008 0.000 0.925 163 K CB 1.622 34.112 32.500 -0.016 0.000 1.225 163 K HN -0.029 nan 8.250 nan 0.000 0.514 164 L N 1.208 122.462 121.223 0.051 0.000 2.385 164 L HA 0.422 4.761 4.340 -0.001 0.000 0.273 164 L C -1.322 175.703 176.870 0.258 0.000 0.990 164 L CA -0.955 53.920 54.840 0.057 0.000 0.821 164 L CB 1.512 43.589 42.059 0.029 0.000 1.279 164 L HN -0.022 nan 8.230 nan 0.000 0.412 165 W N 2.697 123.930 121.300 -0.111 0.000 2.647 165 W HA 0.646 5.305 4.660 -0.001 0.000 0.353 165 W C -0.046 176.423 176.519 -0.083 0.000 1.080 165 W CA -0.786 56.505 57.345 -0.090 0.000 1.208 165 W CB 1.069 30.453 29.460 -0.127 0.000 1.396 165 W HN 0.226 nan 8.180 nan 0.000 0.573 166 L N 1.384 122.702 121.223 0.158 0.000 2.569 166 L HA 0.432 4.772 4.340 -0.001 0.000 0.247 166 L C -0.053 176.865 176.870 0.081 0.000 1.135 166 L CA -0.534 54.372 54.840 0.110 0.000 0.812 166 L CB 0.730 42.871 42.059 0.137 0.000 1.431 166 L HN 0.243 nan 8.230 nan 0.000 0.499 167 D N 0.631 121.073 120.400 0.071 0.000 2.479 167 D HA 0.365 5.005 4.640 -0.001 0.000 0.246 167 D C -1.378 174.908 176.300 -0.024 0.000 1.336 167 D CA -0.186 53.851 54.000 0.060 0.000 0.967 167 D CB 1.739 42.615 40.800 0.128 0.000 1.275 167 D HN 0.220 nan 8.370 nan 0.000 0.577 168 V N 1.891 121.735 119.914 -0.117 0.000 2.581 168 V HA 0.735 4.854 4.120 -0.001 0.000 0.303 168 V C -2.466 173.481 176.094 -0.246 0.000 1.041 168 V CA -1.901 60.151 62.300 -0.413 0.000 0.907 168 V CB 1.364 32.985 31.823 -0.336 0.000 0.994 168 V HN 0.331 nan 8.190 nan 0.000 0.442 169 P HA 0.231 nan 4.420 nan 0.000 0.274 169 P C 0.307 177.636 177.300 0.049 0.000 1.256 169 P CA -0.154 62.890 63.100 -0.093 0.000 0.795 169 P CB 0.777 32.432 31.700 -0.075 0.000 1.038 170 D N -0.541 119.981 120.400 0.203 0.000 2.170 170 D HA -0.135 4.505 4.640 -0.001 0.000 0.193 170 D C 0.665 176.985 176.300 0.033 0.000 1.004 170 D CA 1.531 55.585 54.000 0.090 0.000 0.860 170 D CB 0.030 40.868 40.800 0.063 0.000 0.931 170 D HN 0.293 nan 8.370 nan 0.000 0.448 171 L N -0.332 120.919 121.223 0.047 0.000 2.334 171 L HA 0.367 4.707 4.340 -0.001 0.000 0.276 171 L C 1.549 178.396 176.870 -0.038 0.000 1.014 171 L CA -0.528 54.334 54.840 0.037 0.000 0.815 171 L CB 2.162 44.283 42.059 0.103 0.000 1.268 171 L HN -0.138 nan 8.230 nan 0.000 0.428 172 G N 0.985 109.706 108.800 -0.131 0.000 2.712 172 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.212 172 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.212 172 G C 1.157 175.830 174.900 -0.377 0.000 1.142 172 G CA 0.567 45.456 45.100 -0.352 0.000 0.789 172 G HN 0.847 nan 8.290 nan 0.000 0.535 173 G N 0.414 109.147 108.800 -0.112 0.000 2.920 173 G HA2 0.361 4.320 3.960 -0.001 0.000 0.208 173 G HA3 0.361 4.320 3.960 -0.001 0.000 0.208 173 G C 0.951 175.946 174.900 0.157 0.000 1.159 173 G CA 0.424 45.580 45.100 0.094 0.000 0.784 173 G HN 0.564 nan 8.290 nan 0.000 0.535 174 G N -0.075 108.867 108.800 0.237 0.000 2.683 174 G HA2 0.351 4.311 3.960 -0.001 0.000 0.260 174 G HA3 0.351 4.311 3.960 -0.001 0.000 0.260 174 G C 0.060 175.044 174.900 0.139 0.000 1.238 174 G CA 0.269 45.526 45.100 0.261 0.000 0.934 174 G HN 0.318 nan 8.290 nan 0.000 0.534 175 S N -1.203 114.519 115.700 0.037 0.000 2.457 175 S HA 0.275 4.745 4.470 -0.001 0.000 0.289 175 S C 1.425 175.842 174.600 -0.304 0.000 1.163 175 S CA -0.677 57.443 58.200 -0.134 0.000 1.078 175 S CB 1.373 64.543 63.200 -0.050 0.000 0.987 175 S HN 0.408 nan 8.310 nan 0.000 0.482 176 V N 5.850 125.410 119.914 -0.590 0.000 2.255 176 V HA -0.177 3.943 4.120 -0.001 0.000 0.247 176 V C 2.419 178.382 176.094 -0.218 0.000 1.051 176 V CA 2.315 64.244 62.300 -0.619 0.000 1.018 176 V CB -1.199 30.312 31.823 -0.521 0.000 0.641 176 V HN 0.912 nan 8.190 nan 0.000 0.445 177 L N 1.708 122.837 121.223 -0.157 0.000 2.072 177 L HA 0.196 4.536 4.340 -0.001 0.000 0.205 177 L C 2.304 179.165 176.870 -0.015 0.000 1.079 177 L CA 2.394 57.191 54.840 -0.073 0.000 0.752 177 L CB -1.816 40.195 42.059 -0.080 0.000 0.906 177 L HN 0.162 nan 8.230 nan 0.000 0.436 178 G N 0.287 109.072 108.800 -0.025 0.000 2.514 178 G HA2 -0.402 3.558 3.960 -0.001 0.000 0.217 178 G HA3 -0.402 3.558 3.960 -0.001 0.000 0.217 178 G C 1.611 176.552 174.900 0.068 0.000 1.198 178 G CA 0.962 46.067 45.100 0.007 0.000 0.780 178 G HN 0.576 nan 8.290 nan 0.000 0.565 179 N N 1.404 120.182 118.700 0.131 0.000 2.061 179 N HA -0.160 4.579 4.740 -0.001 0.000 0.193 179 N C 2.511 178.173 175.510 0.253 0.000 1.030 179 N CA 1.774 54.970 53.050 0.243 0.000 0.856 179 N CB -0.329 38.420 38.487 0.438 0.000 1.023 179 N HN 0.266 nan 8.380 nan 0.000 0.424 180 A N 0.806 123.775 122.820 0.249 0.000 1.930 180 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 180 A C 2.467 180.262 177.584 0.351 0.000 1.175 180 A CA 1.885 54.105 52.037 0.306 0.000 0.627 180 A CB -0.831 18.282 19.000 0.189 0.000 0.815 180 A HN 0.321 nan 8.150 nan 0.000 0.443 181 V N -2.860 117.174 119.914 0.200 0.000 2.548 181 V HA -0.053 4.067 4.120 -0.001 0.000 0.249 181 V C 1.591 177.640 176.094 -0.074 0.000 1.055 181 V CA 2.050 64.414 62.300 0.107 0.000 1.065 181 V CB -0.663 31.185 31.823 0.042 0.000 0.681 181 V HN 0.339 nan 8.190 nan 0.000 0.462 182 E N 0.658 120.836 120.200 -0.037 0.000 2.511 182 E HA 0.120 4.470 4.350 -0.001 0.000 0.196 182 E C 0.768 177.334 176.600 -0.057 0.000 1.066 182 E CA 0.094 56.434 56.400 -0.099 0.000 0.871 182 E CB -0.348 29.314 29.700 -0.063 0.000 0.863 182 E HN 0.716 nan 8.360 nan 0.000 0.520 183 R N -0.711 119.813 120.500 0.041 0.000 3.422 183 R HA -0.152 4.188 4.340 -0.001 0.000 0.267 183 R C 0.739 177.163 176.300 0.207 0.000 1.074 183 R CA 0.468 56.661 56.100 0.155 0.000 0.718 183 R CB -2.398 27.939 30.300 0.062 0.000 1.157 183 R HN 0.184 nan 8.270 nan 0.000 0.440 184 G N -0.066 108.825 108.800 0.152 0.000 2.684 184 G HA2 0.433 4.393 3.960 -0.001 0.000 0.255 184 G HA3 0.433 4.393 3.960 -0.001 0.000 0.255 184 G C -0.001 174.699 174.900 -0.332 0.000 1.219 184 G CA -0.351 44.765 45.100 0.026 0.000 0.901 184 G HN 0.059 nan 8.290 nan 0.000 0.548 185 V N -0.298 119.323 119.914 -0.488 0.000 2.656 185 V HA 0.756 4.876 4.120 -0.001 0.000 0.307 185 V C 0.749 176.315 176.094 -0.881 0.000 1.051 185 V CA -0.173 61.707 62.300 -0.699 0.000 0.893 185 V CB 1.486 32.962 31.823 -0.579 0.000 0.999 185 V HN 1.091 nan 8.190 nan 0.000 0.426 186 G N 1.338 109.647 108.800 -0.818 0.000 2.667 186 G HA2 0.578 4.538 3.960 -0.001 0.000 0.310 186 G HA3 0.578 4.538 3.960 -0.001 0.000 0.310 186 G C -1.202 173.146 174.900 -0.920 0.000 1.259 186 G CA -0.401 44.255 45.100 -0.740 0.000 1.019 186 G HN 0.594 nan 8.290 nan 0.000 0.496 187 Y N 0.361 120.678 120.300 0.027 0.000 2.781 187 Y HA 0.376 4.926 4.550 -0.001 0.000 0.326 187 Y C 1.279 177.251 175.900 0.120 0.000 1.019 187 Y CA -0.522 57.603 58.100 0.041 0.000 1.372 187 Y CB 0.103 38.559 38.460 -0.006 0.000 1.260 187 Y HN 0.620 nan 8.280 nan 0.000 0.546 188 T N -4.511 110.137 114.554 0.157 0.000 2.742 188 T HA 0.401 4.751 4.350 -0.001 0.000 0.282 188 T C -2.300 172.426 174.700 0.043 0.000 1.025 188 T CA -2.442 59.736 62.100 0.130 0.000 1.020 188 T CB 1.956 70.879 68.868 0.091 0.000 1.317 188 T HN -0.263 nan 8.240 nan 0.000 0.538 189 P HA 0.042 nan 4.420 nan 0.000 0.222 189 P C 0.163 177.584 177.300 0.202 0.000 1.147 189 P CA 0.802 63.911 63.100 0.015 0.000 0.790 189 P CB -0.161 31.478 31.700 -0.103 0.000 0.780 190 Y N -0.609 119.679 120.300 -0.020 0.000 2.718 190 Y HA 0.369 4.918 4.550 -0.001 0.000 0.322 190 Y C 2.100 178.057 175.900 0.094 0.000 1.122 190 Y CA -0.731 57.399 58.100 0.050 0.000 1.348 190 Y CB -1.033 37.465 38.460 0.064 0.000 1.174 190 Y HN -0.066 nan 8.280 nan 0.000 0.523 191 G N -0.734 108.164 108.800 0.163 0.000 2.509 191 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.218 191 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.218 191 G C 0.577 175.507 174.900 0.049 0.000 1.124 191 G CA 0.358 45.500 45.100 0.069 0.000 0.776 191 G HN 0.238 nan 8.290 nan 0.000 0.547 192 D N -0.062 120.385 120.400 0.078 0.000 2.517 192 D HA 0.126 4.765 4.640 -0.001 0.000 0.220 192 D C 1.304 177.731 176.300 0.212 0.000 1.158 192 D CA -0.408 53.633 54.000 0.069 0.000 0.992 192 D CB -0.526 40.308 40.800 0.057 0.000 1.058 192 D HN 0.465 nan 8.370 nan 0.000 0.516 193 H N 1.586 120.700 119.070 0.073 0.000 2.292 193 H HA -0.223 4.333 4.556 -0.001 0.000 0.292 193 H C 1.743 177.136 175.328 0.110 0.000 1.100 193 H CA 1.279 57.392 56.048 0.108 0.000 1.238 193 H CB 0.036 29.885 29.762 0.144 0.000 1.355 193 H HN 0.580 nan 8.280 nan 0.000 0.484 194 W N 1.479 122.881 121.300 0.170 0.000 2.338 194 W HA -0.233 4.427 4.660 -0.000 0.000 0.304 194 W C 1.902 178.518 176.519 0.162 0.000 1.212 194 W CA 0.934 58.348 57.345 0.115 0.000 1.264 194 W CB -0.213 29.290 29.460 0.072 0.000 1.142 194 W HN 0.184 nan 8.180 nan 0.000 0.512 195 M N 0.594 120.216 119.600 0.037 0.000 2.632 195 M HA -0.109 4.370 4.480 -0.001 0.000 0.256 195 M C 1.279 177.425 176.300 -0.256 0.000 1.080 195 M CA 1.211 56.459 55.300 -0.087 0.000 1.084 195 M CB -0.453 32.186 32.600 0.065 0.000 1.439 195 M HN -0.155 nan 8.290 nan 0.000 0.509 196 M N -1.119 118.320 119.600 -0.268 0.000 2.419 196 M HA 0.163 4.642 4.480 -0.001 0.000 0.252 196 M C -0.012 175.786 176.300 -0.836 0.000 1.143 196 M CA 0.062 55.147 55.300 -0.358 0.000 0.985 196 M CB -1.464 31.134 32.600 -0.003 0.000 1.489 196 M HN 0.307 nan 8.290 nan 0.000 0.484 197 H N -1.509 116.984 119.070 -0.962 0.000 2.496 197 H HA 0.645 5.201 4.556 -0.001 0.000 0.342 197 H C -0.562 174.118 175.328 -1.081 0.000 1.170 197 H CA -0.682 54.818 56.048 -0.912 0.000 1.274 197 H CB 1.370 30.649 29.762 -0.805 0.000 1.538 197 H HN 0.007 nan 8.280 nan 0.000 0.542 198 S N 2.348 117.520 115.700 -0.881 0.000 2.599 198 S HA 0.478 4.948 4.470 -0.001 0.000 0.269 198 S C -0.567 173.891 174.600 -0.237 0.000 1.135 198 S CA -0.004 57.769 58.200 -0.712 0.000 1.027 198 S CB -0.246 62.569 63.200 -0.643 0.000 1.129 198 S HN 1.870 nan 8.310 nan 0.000 0.458 199 G N 5.227 113.981 108.800 -0.076 0.000 2.858 199 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.266 199 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.266 199 G C -0.501 174.489 174.900 0.150 0.000 1.023 199 G CA -0.042 45.101 45.100 0.070 0.000 1.172 199 G HN 1.333 nan 8.290 nan 0.000 0.523 200 M N 0.230 119.980 119.600 0.251 0.000 2.508 200 M HA 0.810 5.290 4.480 -0.001 0.000 0.327 200 M C -0.189 176.280 176.300 0.283 0.000 1.160 200 M CA -1.065 54.363 55.300 0.213 0.000 0.980 200 M CB 2.374 35.008 32.600 0.055 0.000 1.693 200 M HN 0.327 nan 8.290 nan 0.000 0.452 201 E N 1.898 122.257 120.200 0.266 0.000 2.156 201 E HA 0.600 4.950 4.350 -0.001 0.000 0.279 201 E C -1.828 174.725 176.600 -0.078 0.000 0.965 201 E CA -0.706 55.751 56.400 0.095 0.000 0.789 201 E CB 1.770 31.562 29.700 0.153 0.000 1.098 201 E HN 0.651 nan 8.360 nan 0.000 0.397 202 V N 4.501 124.304 119.914 -0.186 0.000 2.789 202 V HA 0.277 4.397 4.120 -0.001 0.000 0.311 202 V C -0.588 175.396 176.094 -0.184 0.000 1.073 202 V CA -0.903 61.228 62.300 -0.281 0.000 0.921 202 V CB 2.189 33.625 31.823 -0.645 0.000 1.009 202 V HN 0.517 nan 8.190 nan 0.000 0.426 203 V N 5.951 125.782 119.914 -0.138 0.000 2.364 203 V HA 0.381 4.501 4.120 -0.001 0.000 0.272 203 V C 0.294 176.351 176.094 -0.061 0.000 1.036 203 V CA -0.209 62.041 62.300 -0.084 0.000 0.880 203 V CB 1.108 32.895 31.823 -0.060 0.000 0.991 203 V HN 0.610 nan 8.190 nan 0.000 0.460 204 L N 3.704 124.909 121.223 -0.030 0.000 2.470 204 L HA 0.330 4.669 4.340 -0.001 0.000 0.243 204 L C 1.940 178.822 176.870 0.019 0.000 1.227 204 L CA 0.106 54.958 54.840 0.020 0.000 0.824 204 L CB 0.212 42.294 42.059 0.039 0.000 1.175 204 L HN 0.675 nan 8.230 nan 0.000 0.503 205 A N 0.621 123.460 122.820 0.032 0.000 2.067 205 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 205 A C 1.656 179.257 177.584 0.029 0.000 1.158 205 A CA 1.619 53.672 52.037 0.028 0.000 0.661 205 A CB -0.838 18.177 19.000 0.025 0.000 0.801 205 A HN 0.920 nan 8.150 nan 0.000 0.452 206 N N -1.645 117.069 118.700 0.023 0.000 2.422 206 N HA 0.239 4.978 4.740 -0.001 0.000 0.181 206 N C 1.087 176.606 175.510 0.014 0.000 1.080 206 N CA 1.377 54.439 53.050 0.019 0.000 0.893 206 N CB -0.221 38.275 38.487 0.015 0.000 0.973 206 N HN 0.702 nan 8.380 nan 0.000 0.456 207 G N -0.673 108.132 108.800 0.009 0.000 2.195 207 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.224 207 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.224 207 G C -0.459 174.434 174.900 -0.012 0.000 0.990 207 G CA 0.015 45.115 45.100 -0.000 0.000 0.639 207 G HN 0.483 nan 8.290 nan 0.000 0.514 208 E N 0.156 120.349 120.200 -0.010 0.000 2.343 208 E HA 0.586 4.935 4.350 -0.001 0.000 0.269 208 E C 0.353 176.932 176.600 -0.035 0.000 1.047 208 E CA -0.499 55.889 56.400 -0.020 0.000 0.874 208 E CB 1.365 31.058 29.700 -0.012 0.000 1.033 208 E HN 0.269 nan 8.360 nan 0.000 0.409 209 L N 3.296 124.490 121.223 -0.049 0.000 2.326 209 L HA 0.429 4.769 4.340 -0.001 0.000 0.278 209 L C -0.483 176.340 176.870 -0.077 0.000 1.092 209 L CA -0.297 54.499 54.840 -0.073 0.000 0.810 209 L CB 0.600 42.609 42.059 -0.083 0.000 1.153 209 L HN 0.404 nan 8.230 nan 0.000 0.439 210 L N 3.907 125.071 121.223 -0.097 0.000 2.434 210 L HA 0.627 4.967 4.340 -0.001 0.000 0.260 210 L C -1.380 175.423 176.870 -0.111 0.000 0.983 210 L CA -0.700 54.090 54.840 -0.084 0.000 0.820 210 L CB 1.851 43.885 42.059 -0.042 0.000 1.361 210 L HN 0.514 nan 8.230 nan 0.000 0.410 211 R N 1.931 122.379 120.500 -0.088 0.000 2.621 211 R HA 0.504 4.843 4.340 -0.001 0.000 0.292 211 R C -0.554 175.778 176.300 0.054 0.000 0.969 211 R CA -0.570 55.492 56.100 -0.062 0.000 0.887 211 R CB 1.688 31.839 30.300 -0.248 0.000 1.180 211 R HN 0.819 nan 8.270 nan 0.000 0.450 212 T N -1.750 112.891 114.554 0.146 0.000 2.849 212 T HA 0.568 4.918 4.350 -0.001 0.000 0.276 212 T C 1.083 175.898 174.700 0.191 0.000 0.971 212 T CA 0.244 62.455 62.100 0.185 0.000 0.949 212 T CB 1.196 70.208 68.868 0.240 0.000 1.093 212 T HN 0.731 nan 8.240 nan 0.000 0.545 213 G N 0.874 109.796 108.800 0.203 0.000 2.661 213 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.327 213 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.327 213 G C 1.000 175.975 174.900 0.126 0.000 1.320 213 G CA 0.646 45.829 45.100 0.139 0.000 0.997 213 G HN 0.798 nan 8.290 nan 0.000 0.543 214 M N 2.121 121.781 119.600 0.099 0.000 2.686 214 M HA 0.045 4.525 4.480 -0.001 0.000 0.246 214 M C 2.631 178.996 176.300 0.107 0.000 1.096 214 M CA 1.422 56.792 55.300 0.116 0.000 1.076 214 M CB -0.985 31.693 32.600 0.130 0.000 1.504 214 M HN 0.664 nan 8.290 nan 0.000 0.524 215 G N 0.098 108.990 108.800 0.154 0.000 2.509 215 G HA2 0.012 3.972 3.960 -0.001 0.000 0.218 215 G HA3 0.012 3.972 3.960 -0.001 0.000 0.218 215 G C 1.507 176.419 174.900 0.021 0.000 1.124 215 G CA 0.877 46.101 45.100 0.206 0.000 0.776 215 G HN 0.542 nan 8.290 nan 0.000 0.547 216 A N -0.362 122.488 122.820 0.050 0.000 2.132 216 A HA 0.378 4.698 4.320 -0.001 0.000 0.213 216 A C 1.100 178.693 177.584 0.015 0.000 1.154 216 A CA -0.056 51.994 52.037 0.021 0.000 0.753 216 A CB 0.020 19.059 19.000 0.066 0.000 0.826 216 A HN 0.299 nan 8.150 nan 0.000 0.469 217 L N 2.761 124.004 121.223 0.033 0.000 2.407 217 L HA 0.279 4.619 4.340 -0.001 0.000 0.282 217 L C -2.476 174.397 176.870 0.004 0.000 1.110 217 L CA -1.757 53.099 54.840 0.027 0.000 0.863 217 L CB 0.551 42.639 42.059 0.049 0.000 1.207 217 L HN 0.074 nan 8.230 nan 0.000 0.454 218 P HA 0.082 nan 4.420 nan 0.000 0.274 218 P C -0.708 176.586 177.300 -0.010 0.000 1.231 218 P CA -0.485 62.595 63.100 -0.033 0.000 0.790 218 P CB 0.907 32.583 31.700 -0.040 0.000 0.951 219 D N 2.436 122.831 120.400 -0.008 0.000 2.424 219 D HA 0.161 4.801 4.640 -0.001 0.000 0.244 219 D C -1.930 174.373 176.300 0.005 0.000 1.134 219 D CA -1.260 52.750 54.000 0.017 0.000 0.881 219 D CB -0.487 40.334 40.800 0.035 0.000 1.191 219 D HN 0.172 nan 8.370 nan 0.000 0.445 220 P HA 0.035 nan 4.420 nan 0.000 0.268 220 P C -0.496 176.806 177.300 0.004 0.000 1.208 220 P CA -0.054 63.048 63.100 0.004 0.000 0.777 220 P CB 0.380 32.085 31.700 0.007 0.000 0.875 221 K N 2.980 123.380 120.400 -0.001 0.000 2.436 221 K HA 0.163 4.482 4.320 -0.001 0.000 0.275 221 K C 0.600 177.202 176.600 0.003 0.000 0.999 221 K CA 0.271 56.558 56.287 -0.001 0.000 0.980 221 K CB 0.344 32.841 32.500 -0.004 0.000 0.919 221 K HN 0.600 nan 8.250 nan 0.000 0.484 222 R N 1.625 122.128 120.500 0.005 0.000 2.643 222 R HA 0.236 4.575 4.340 -0.001 0.000 0.269 222 R C -2.734 173.570 176.300 0.006 0.000 1.037 222 R CA -1.799 54.305 56.100 0.007 0.000 0.894 222 R CB 0.862 31.169 30.300 0.012 0.000 1.238 222 R HN 0.173 nan 8.270 nan 0.000 0.459 223 P HA -0.240 nan 4.420 nan 0.000 0.217 223 P C 0.381 177.685 177.300 0.006 0.000 1.162 223 P CA 1.607 64.710 63.100 0.005 0.000 0.901 223 P CB 0.207 31.910 31.700 0.005 0.000 0.793 224 E N -1.337 118.869 120.200 0.009 0.000 2.265 224 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 224 E C 1.466 178.073 176.600 0.012 0.000 0.996 224 E CA 1.668 58.075 56.400 0.012 0.000 0.832 224 E CB -1.170 28.540 29.700 0.016 0.000 0.756 224 E HN 0.433 nan 8.360 nan 0.000 0.491 225 T N -2.596 111.965 114.554 0.011 0.000 3.174 225 T HA 0.275 4.624 4.350 -0.001 0.000 0.269 225 T C 0.443 175.144 174.700 0.001 0.000 1.017 225 T CA -0.521 61.585 62.100 0.010 0.000 0.899 225 T CB 0.040 68.917 68.868 0.015 0.000 1.077 225 T HN -0.185 nan 8.240 nan 0.000 0.552 226 M N 1.808 121.408 119.600 0.000 0.000 2.243 226 M HA 0.425 4.904 4.480 -0.001 0.000 0.341 226 M C 1.786 178.083 176.300 -0.006 0.000 1.130 226 M CA 0.647 55.945 55.300 -0.004 0.000 1.162 226 M CB -0.415 32.183 32.600 -0.003 0.000 1.497 226 M HN 0.576 nan 8.290 nan 0.000 0.456 227 G N 2.222 111.016 108.800 -0.010 0.000 2.175 227 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.265 227 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.265 227 G C 0.116 175.008 174.900 -0.013 0.000 0.979 227 G CA 0.104 45.198 45.100 -0.011 0.000 0.663 227 G HN 0.596 nan 8.290 nan 0.000 0.533 228 L N 0.229 121.444 121.223 -0.014 0.000 2.439 228 L HA 0.309 4.649 4.340 -0.001 0.000 0.269 228 L C 1.266 178.120 176.870 -0.026 0.000 1.179 228 L CA -0.431 54.399 54.840 -0.016 0.000 0.828 228 L CB 0.505 42.556 42.059 -0.013 0.000 1.106 228 L HN 0.081 nan 8.230 nan 0.000 0.467 229 K N 2.793 123.177 120.400 -0.026 0.000 2.276 229 K HA 0.063 4.383 4.320 -0.001 0.000 0.259 229 K C -1.575 174.994 176.600 -0.051 0.000 1.001 229 K CA -1.317 54.949 56.287 -0.035 0.000 0.927 229 K CB 0.287 32.769 32.500 -0.030 0.000 0.969 229 K HN 0.289 nan 8.250 nan 0.000 0.490 230 P HA -0.268 nan 4.420 nan 0.000 0.215 230 P C 0.568 177.797 177.300 -0.118 0.000 1.163 230 P CA 1.668 64.711 63.100 -0.095 0.000 0.894 230 P CB 0.074 31.719 31.700 -0.090 0.000 0.791 231 E N -0.434 119.712 120.200 -0.090 0.000 2.114 231 E HA -0.215 4.135 4.350 -0.001 0.000 0.199 231 E C 1.124 177.694 176.600 -0.051 0.000 1.008 231 E CA 1.446 57.801 56.400 -0.074 0.000 0.810 231 E CB -0.889 28.784 29.700 -0.044 0.000 0.739 231 E HN 0.325 nan 8.360 nan 0.000 0.456 232 D N 0.541 120.919 120.400 -0.037 0.000 2.339 232 D HA 0.027 4.667 4.640 -0.001 0.000 0.217 232 D C 0.056 176.351 176.300 -0.009 0.000 1.050 232 D CA 0.269 54.265 54.000 -0.006 0.000 0.856 232 D CB 0.097 40.895 40.800 -0.002 0.000 0.922 232 D HN 0.271 nan 8.370 nan 0.000 0.518 233 Q N 1.650 121.416 119.800 -0.056 0.000 2.340 233 Q HA 0.225 4.564 4.340 -0.001 0.000 0.249 233 Q C -1.986 173.988 176.000 -0.042 0.000 0.957 233 Q CA -1.441 54.326 55.803 -0.060 0.000 0.882 233 Q CB 0.802 29.472 28.738 -0.114 0.000 1.235 233 Q HN 0.070 nan 8.270 nan 0.000 0.439 234 P HA 0.058 nan 4.420 nan 0.000 0.275 234 P C -1.215 176.146 177.300 0.101 0.000 1.270 234 P CA -0.141 63.058 63.100 0.165 0.000 0.791 234 P CB 0.509 32.297 31.700 0.146 0.000 1.089 235 W N -0.646 120.679 121.300 0.042 0.000 2.647 235 W HA 0.404 5.063 4.660 -0.001 0.000 0.353 235 W C 0.664 177.170 176.519 -0.022 0.000 1.080 235 W CA -0.239 57.100 57.345 -0.009 0.000 1.208 235 W CB 0.442 29.872 29.460 -0.050 0.000 1.396 235 W HN 0.296 nan 8.180 nan 0.000 0.573 236 S N 1.001 116.802 115.700 0.169 0.000 2.593 236 S HA 0.115 4.585 4.470 -0.001 0.000 0.269 236 S C 1.129 175.784 174.600 0.091 0.000 1.334 236 S CA -0.245 58.014 58.200 0.100 0.000 1.015 236 S CB 0.951 64.187 63.200 0.059 0.000 0.912 236 S HN 0.621 nan 8.310 nan 0.000 0.541 237 K N 0.982 121.428 120.400 0.078 0.000 2.089 237 K HA -0.147 4.172 4.320 -0.001 0.000 0.210 237 K C 1.249 177.879 176.600 0.049 0.000 1.048 237 K CA 1.565 57.899 56.287 0.078 0.000 0.926 237 K CB -0.679 31.861 32.500 0.066 0.000 0.714 237 K HN 0.603 nan 8.250 nan 0.000 0.448 238 I N 1.331 121.920 120.570 0.032 0.000 3.646 238 I HA 0.086 4.256 4.170 -0.001 0.000 0.301 238 I C 2.218 178.317 176.117 -0.030 0.000 1.276 238 I CA 0.259 61.576 61.300 0.028 0.000 1.254 238 I CB -1.361 36.677 38.000 0.064 0.000 1.020 238 I HN 0.195 nan 8.210 nan 0.000 0.473 239 A N 1.156 123.896 122.820 -0.133 0.000 1.927 239 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 239 A C 1.696 178.949 177.584 -0.551 0.000 1.185 239 A CA 1.797 53.646 52.037 -0.312 0.000 0.639 239 A CB -0.976 17.774 19.000 -0.416 0.000 0.820 239 A HN 0.607 nan 8.150 nan 0.000 0.451 240 H N -1.919 116.947 119.070 -0.340 0.000 2.528 240 H HA 0.487 5.042 4.556 -0.001 0.000 0.282 240 H C 0.867 176.053 175.328 -0.237 0.000 1.097 240 H CA -0.114 55.595 56.048 -0.565 0.000 1.121 240 H CB 0.318 29.279 29.762 -1.334 0.000 1.590 240 H HN 0.378 nan 8.280 nan 0.000 0.553 241 L N -1.045 120.202 121.223 0.041 0.000 2.717 241 L HA 0.238 4.577 4.340 -0.001 0.000 0.239 241 L C -0.438 176.594 176.870 0.270 0.000 1.086 241 L CA -0.007 54.934 54.840 0.169 0.000 0.897 241 L CB 0.878 42.982 42.059 0.076 0.000 1.214 241 L HN 0.098 nan 8.230 nan 0.000 0.508 242 F N 2.468 122.432 119.950 0.023 0.000 2.612 242 F HA 0.483 5.010 4.527 -0.000 0.000 0.332 242 F C -2.224 173.498 175.800 -0.131 0.000 1.167 242 F CA -2.355 55.612 58.000 -0.054 0.000 0.970 242 F CB 1.906 40.864 39.000 -0.071 0.000 1.234 242 F HN -0.260 nan 8.300 nan 0.000 0.453 243 P HA -0.115 nan 4.420 nan 0.000 0.222 243 P C 0.865 177.722 177.300 -0.738 0.000 1.153 243 P CA 1.272 63.974 63.100 -0.662 0.000 0.798 243 P CB 0.096 31.309 31.700 -0.812 0.000 0.796 244 Y N 0.328 119.898 120.300 -1.217 0.000 2.516 244 Y HA 0.211 4.761 4.550 -0.001 0.000 0.291 244 Y C 2.194 177.840 175.900 -0.423 0.000 1.131 244 Y CA 0.092 57.577 58.100 -1.026 0.000 1.281 244 Y CB -1.490 36.364 38.460 -1.010 0.000 1.013 244 Y HN 0.040 nan 8.280 nan 0.000 0.554 245 G N 1.025 109.795 108.800 -0.050 0.000 2.614 245 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.303 245 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.303 245 G C -0.436 174.670 174.900 0.344 0.000 1.270 245 G CA 0.590 45.823 45.100 0.222 0.000 0.988 245 G HN 0.395 nan 8.290 nan 0.000 0.551 246 F N 0.583 120.615 119.950 0.136 0.000 2.588 246 F HA 0.620 5.147 4.527 -0.001 0.000 0.314 246 F C 0.757 176.615 175.800 0.097 0.000 1.069 246 F CA 1.309 59.379 58.000 0.118 0.000 0.931 246 F CB 1.492 40.554 39.000 0.104 0.000 1.260 246 F HN 2.345 nan 8.300 nan 0.000 0.465 247 G N 3.396 111.673 108.800 -0.871 0.000 2.693 247 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.226 247 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.226 247 G C -2.733 172.060 174.900 -0.179 0.000 1.354 247 G CA -0.746 44.024 45.100 -0.550 0.000 0.873 247 G HN 0.688 nan 8.290 nan 0.000 0.562 248 P HA 0.202 nan 4.420 nan 0.000 0.259 248 P C -0.602 176.772 177.300 0.123 0.000 1.163 248 P CA 0.414 63.523 63.100 0.014 0.000 0.760 248 P CB 0.076 31.787 31.700 0.019 0.000 0.762 249 Y N 4.978 125.272 120.300 -0.009 0.000 2.594 249 Y HA 0.293 4.842 4.550 -0.001 0.000 0.342 249 Y C 1.025 176.983 175.900 0.096 0.000 1.010 249 Y CA -1.143 56.989 58.100 0.054 0.000 1.270 249 Y CB -0.272 38.209 38.460 0.035 0.000 1.125 249 Y HN 0.344 nan 8.280 nan 0.000 0.513 250 I N -0.088 120.491 120.570 0.016 0.000 3.793 250 I HA 0.151 4.320 4.170 -0.001 0.000 0.315 250 I C 0.930 177.033 176.117 -0.023 0.000 1.275 250 I CA 0.383 61.664 61.300 -0.032 0.000 1.214 250 I CB 0.092 38.134 38.000 0.070 0.000 1.018 250 I HN 0.305 nan 8.210 nan 0.000 0.439 251 D N 2.655 123.020 120.400 -0.059 0.000 2.133 251 D HA -0.183 4.457 4.640 -0.001 0.000 0.192 251 D C 2.374 178.827 176.300 0.255 0.000 1.001 251 D CA 2.266 56.392 54.000 0.209 0.000 0.844 251 D CB -0.332 40.593 40.800 0.208 0.000 0.944 251 D HN 0.546 nan 8.370 nan 0.000 0.447 252 G N 0.288 109.111 108.800 0.038 0.000 2.479 252 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.220 252 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.220 252 G C 1.385 176.112 174.900 -0.289 0.000 1.115 252 G CA 0.352 45.374 45.100 -0.131 0.000 0.757 252 G HN 0.270 nan 8.290 nan 0.000 0.560 253 L N -0.911 120.093 121.223 -0.365 0.000 2.362 253 L HA 0.110 4.450 4.340 -0.001 0.000 0.219 253 L C 1.673 178.132 176.870 -0.685 0.000 1.134 253 L CA 0.370 54.871 54.840 -0.566 0.000 0.807 253 L CB -0.301 41.307 42.059 -0.752 0.000 0.927 253 L HN 0.111 nan 8.230 nan 0.000 0.447 254 F N -0.625 119.230 119.950 -0.158 0.000 2.693 254 F HA 0.134 4.661 4.527 -0.001 0.000 0.303 254 F C 1.109 176.742 175.800 -0.279 0.000 1.097 254 F CA -0.355 57.548 58.000 -0.162 0.000 1.330 254 F CB -0.164 38.798 39.000 -0.063 0.000 1.067 254 F HN -0.138 nan 8.300 nan 0.000 0.565 255 S N 0.420 115.884 115.700 -0.394 0.000 2.508 255 S HA 0.228 4.698 4.470 -0.001 0.000 0.284 255 S C 0.336 174.702 174.600 -0.389 0.000 1.192 255 S CA -0.698 57.159 58.200 -0.571 0.000 1.070 255 S CB 1.239 63.804 63.200 -1.059 0.000 1.004 255 S HN 0.275 nan 8.310 nan 0.000 0.493 256 Q N 0.204 119.818 119.800 -0.311 0.000 2.453 256 Q HA -0.206 4.134 4.340 -0.001 0.000 0.294 256 Q C -0.087 175.763 176.000 -0.250 0.000 1.295 256 Q CA 0.863 56.502 55.803 -0.274 0.000 0.853 256 Q CB -1.727 26.841 28.738 -0.284 0.000 1.193 256 Q HN 0.916 nan 8.270 nan 0.000 0.461 257 S N -1.049 114.505 115.700 -0.244 0.000 2.685 257 S HA 0.644 5.113 4.470 -0.001 0.000 0.282 257 S C 0.060 174.521 174.600 -0.233 0.000 1.159 257 S CA -0.385 57.674 58.200 -0.235 0.000 0.833 257 S CB 1.274 64.326 63.200 -0.247 0.000 1.151 257 S HN 0.278 nan 8.310 nan 0.000 0.485 258 N N -0.230 118.337 118.700 -0.223 0.000 2.275 258 N HA 0.190 4.929 4.740 -0.001 0.000 0.236 258 N C 0.681 176.111 175.510 -0.133 0.000 1.154 258 N CA -0.375 52.551 53.050 -0.208 0.000 0.866 258 N CB -0.124 38.222 38.487 -0.235 0.000 1.093 258 N HN 0.471 nan 8.380 nan 0.000 0.515 259 M N -0.368 119.162 119.600 -0.117 0.000 2.562 259 M HA 0.268 4.748 4.480 -0.001 0.000 0.257 259 M C 0.682 177.071 176.300 0.148 0.000 1.099 259 M CA 0.353 55.612 55.300 -0.068 0.000 1.099 259 M CB -0.639 31.787 32.600 -0.291 0.000 1.427 259 M HN 0.337 nan 8.290 nan 0.000 0.489 260 G N 0.176 109.091 108.800 0.192 0.000 2.523 260 G HA2 0.556 4.516 3.960 -0.001 0.000 0.291 260 G HA3 0.556 4.516 3.960 -0.001 0.000 0.291 260 G C -1.657 173.243 174.900 0.000 0.000 1.450 260 G CA -0.836 44.356 45.100 0.154 0.000 0.790 260 G HN 0.123 nan 8.290 nan 0.000 0.496 261 I N 1.214 121.743 120.570 -0.068 0.000 2.359 261 I HA 0.288 4.458 4.170 -0.001 0.000 0.284 261 I C 0.133 176.175 176.117 -0.124 0.000 1.018 261 I CA -0.814 60.427 61.300 -0.098 0.000 1.173 261 I CB 1.786 39.736 38.000 -0.082 0.000 1.326 261 I HN 0.154 nan 8.210 nan 0.000 0.462 262 V N 5.793 125.633 119.914 -0.124 0.000 2.479 262 V HA 0.033 4.153 4.120 -0.001 0.000 0.281 262 V C 1.328 177.371 176.094 -0.085 0.000 1.031 262 V CA 0.435 62.662 62.300 -0.121 0.000 1.038 262 V CB 0.738 32.507 31.823 -0.091 0.000 0.981 262 V HN 0.936 nan 8.190 nan 0.000 0.478 263 T N 1.520 116.033 114.554 -0.067 0.000 3.000 263 T HA 0.317 4.667 4.350 -0.001 0.000 0.248 263 T C 0.460 175.157 174.700 -0.005 0.000 1.034 263 T CA 0.030 62.108 62.100 -0.037 0.000 1.060 263 T CB 0.404 69.254 68.868 -0.030 0.000 0.983 263 T HN 0.527 nan 8.240 nan 0.000 0.482 264 K N -0.097 120.318 120.400 0.024 0.000 2.568 264 K HA 0.734 5.054 4.320 -0.001 0.000 0.273 264 K C -2.046 174.567 176.600 0.023 0.000 0.951 264 K CA -0.765 55.553 56.287 0.053 0.000 0.854 264 K CB 2.946 35.574 32.500 0.213 0.000 1.424 264 K HN 0.163 nan 8.250 nan 0.000 0.427 265 I N 0.391 120.915 120.570 -0.078 0.000 2.753 265 I HA 0.366 4.536 4.170 -0.001 0.000 0.291 265 I C -1.161 174.787 176.117 -0.282 0.000 1.425 265 I CA -0.455 60.763 61.300 -0.136 0.000 1.039 265 I CB 1.999 39.937 38.000 -0.103 0.000 1.349 265 I HN 0.744 nan 8.210 nan 0.000 0.430 266 G N 7.531 116.108 108.800 -0.372 0.000 2.332 266 G HA2 0.632 4.591 3.960 -0.001 0.000 0.310 266 G HA3 0.632 4.591 3.960 -0.001 0.000 0.310 266 G C -0.959 173.740 174.900 -0.336 0.000 1.123 266 G CA -0.332 44.463 45.100 -0.508 0.000 0.873 266 G HN 0.319 nan 8.290 nan 0.000 0.460 267 I N 2.019 122.460 120.570 -0.215 0.000 2.465 267 I HA 0.304 4.474 4.170 -0.001 0.000 0.291 267 I C -0.629 175.536 176.117 0.081 0.000 1.014 267 I CA -1.476 59.735 61.300 -0.149 0.000 1.093 267 I CB 1.640 39.584 38.000 -0.092 0.000 1.267 267 I HN 0.445 nan 8.210 nan 0.000 0.431 268 W N 6.561 127.887 121.300 0.044 0.000 2.251 268 W HA 0.264 4.923 4.660 -0.000 0.000 0.327 268 W C -0.083 176.595 176.519 0.264 0.000 1.361 268 W CA -0.417 57.024 57.345 0.160 0.000 1.234 268 W CB 0.003 29.527 29.460 0.106 0.000 1.212 268 W HN 0.237 nan 8.180 nan 0.000 0.557 269 L N 4.835 126.285 121.223 0.379 0.000 2.329 269 L HA 0.455 4.795 4.340 -0.001 0.000 0.279 269 L C 0.354 177.112 176.870 -0.187 0.000 1.014 269 L CA -0.990 53.907 54.840 0.095 0.000 0.814 269 L CB 1.580 43.666 42.059 0.046 0.000 1.257 269 L HN 0.248 nan 8.230 nan 0.000 0.424 270 M N 5.819 124.956 119.600 -0.770 0.000 2.146 270 M HA 0.299 4.779 4.480 -0.001 0.000 0.352 270 M C -2.261 173.777 176.300 -0.436 0.000 1.343 270 M CA -1.518 53.200 55.300 -0.970 0.000 1.115 270 M CB 1.143 32.961 32.600 -1.304 0.000 1.657 270 M HN 0.219 nan 8.290 nan 0.000 0.471 271 P HA -0.029 nan 4.420 nan 0.000 0.269 271 P C -0.794 176.207 177.300 -0.500 0.000 1.209 271 P CA -0.121 62.803 63.100 -0.293 0.000 0.776 271 P CB 0.254 31.836 31.700 -0.198 0.000 0.876 272 N N 3.662 122.012 118.700 -0.583 0.000 2.223 272 N HA -0.082 4.658 4.740 -0.001 0.000 0.271 272 N C -1.103 174.054 175.510 -0.588 0.000 1.315 272 N CA -0.526 52.003 53.050 -0.869 0.000 0.835 272 N CB 0.125 38.379 38.487 -0.389 0.000 1.066 272 N HN 0.305 nan 8.380 nan 0.000 0.486 273 P HA 0.118 nan 4.420 nan 0.000 0.245 273 P C 0.228 177.433 177.300 -0.159 0.000 1.206 273 P CA 0.305 63.212 63.100 -0.323 0.000 0.781 273 P CB 0.040 31.592 31.700 -0.247 0.000 0.994 274 G N -0.131 108.582 108.800 -0.146 0.000 2.359 274 G HA2 0.100 4.060 3.960 -0.001 0.000 0.298 274 G HA3 0.100 4.060 3.960 -0.001 0.000 0.298 274 G C 0.305 175.211 174.900 0.010 0.000 1.030 274 G CA -0.112 44.963 45.100 -0.041 0.000 1.149 274 G HN 0.771 nan 8.290 nan 0.000 0.512 275 G N -1.001 107.836 108.800 0.062 0.000 2.088 275 G HA2 0.579 4.539 3.960 -0.001 0.000 0.222 275 G HA3 0.579 4.539 3.960 -0.001 0.000 0.222 275 G C -1.238 173.777 174.900 0.192 0.000 1.690 275 G CA 0.028 45.182 45.100 0.090 0.000 0.923 275 G HN 1.781 nan 8.290 nan 0.000 0.730 276 Y N 1.661 121.966 120.300 0.008 0.000 2.441 276 Y HA 0.775 5.325 4.550 -0.001 0.000 0.334 276 Y C -1.015 174.783 175.900 -0.169 0.000 1.061 276 Y CA -1.162 56.918 58.100 -0.034 0.000 1.032 276 Y CB 2.817 41.391 38.460 0.189 0.000 1.266 276 Y HN 0.757 nan 8.280 nan 0.000 0.441 277 Q N 3.626 122.828 119.800 -0.998 0.000 2.296 277 Q HA 0.486 4.826 4.340 -0.001 0.000 0.254 277 Q C -1.475 173.875 176.000 -1.083 0.000 0.936 277 Q CA -0.539 54.651 55.803 -1.020 0.000 0.834 277 Q CB 1.759 29.974 28.738 -0.872 0.000 1.340 277 Q HN 0.720 nan 8.270 nan 0.000 0.428 278 S N 2.818 117.911 115.700 -1.013 0.000 2.672 278 S HA 0.911 5.380 4.470 -0.001 0.000 0.276 278 S C -0.627 173.775 174.600 -0.330 0.000 1.207 278 S CA -0.171 57.666 58.200 -0.603 0.000 1.002 278 S CB 0.838 63.817 63.200 -0.369 0.000 0.998 278 S HN 0.761 nan 8.310 nan 0.000 0.542 279 Y N -0.942 119.225 120.300 -0.220 0.000 2.713 279 Y HA 0.785 5.335 4.550 -0.001 0.000 0.335 279 Y C -1.832 174.060 175.900 -0.015 0.000 1.222 279 Y CA -1.652 56.418 58.100 -0.051 0.000 1.061 279 Y CB 0.800 39.209 38.460 -0.084 0.000 1.314 279 Y HN 0.777 nan 8.280 nan 0.000 0.453 280 L N 2.673 124.068 121.223 0.287 0.000 2.436 280 L HA 0.782 5.122 4.340 -0.001 0.000 0.268 280 L C -1.953 175.075 176.870 0.264 0.000 0.974 280 L CA -1.139 53.692 54.840 -0.016 0.000 0.826 280 L CB 1.904 43.841 42.059 -0.203 0.000 1.291 280 L HN 0.746 nan 8.230 nan 0.000 0.406 281 I N 4.051 124.695 120.570 0.124 0.000 2.439 281 I HA 0.363 4.532 4.170 -0.001 0.000 0.285 281 I C -0.320 175.785 176.117 -0.021 0.000 1.021 281 I CA -0.528 60.810 61.300 0.062 0.000 1.091 281 I CB 2.218 40.188 38.000 -0.051 0.000 1.242 281 I HN 0.750 nan 8.210 nan 0.000 0.439 282 T N 5.259 119.799 114.554 -0.022 0.000 2.799 282 T HA 0.695 5.045 4.350 -0.001 0.000 0.286 282 T C -0.519 174.169 174.700 -0.020 0.000 0.973 282 T CA -0.674 61.428 62.100 0.003 0.000 1.035 282 T CB 1.156 70.060 68.868 0.061 0.000 0.932 282 T HN 0.355 nan 8.240 nan 0.000 0.469 283 L N 4.855 126.102 121.223 0.040 0.000 2.298 283 L HA 0.368 4.707 4.340 -0.001 0.000 0.284 283 L C -1.872 175.039 176.870 0.069 0.000 1.013 283 L CA -2.539 52.342 54.840 0.068 0.000 0.824 283 L CB 1.906 44.051 42.059 0.142 0.000 1.221 283 L HN 0.399 nan 8.230 nan 0.000 0.418 284 P HA -0.089 nan 4.420 nan 0.000 0.215 284 P C -0.202 177.124 177.300 0.044 0.000 1.157 284 P CA 1.253 64.370 63.100 0.028 0.000 0.863 284 P CB 0.250 31.959 31.700 0.016 0.000 0.787 285 K N -0.032 120.413 120.400 0.074 0.000 2.138 285 K HA 0.097 4.417 4.320 -0.001 0.000 0.263 285 K C 0.623 177.340 176.600 0.196 0.000 0.965 285 K CA -0.435 55.909 56.287 0.096 0.000 0.868 285 K CB 0.695 33.241 32.500 0.077 0.000 1.083 285 K HN -0.159 nan 8.250 nan 0.000 0.443 286 D N 2.293 122.804 120.400 0.185 0.000 2.170 286 D HA -0.174 4.466 4.640 -0.001 0.000 0.193 286 D C 1.414 177.978 176.300 0.440 0.000 1.004 286 D CA 2.049 56.255 54.000 0.342 0.000 0.860 286 D CB -0.002 40.954 40.800 0.260 0.000 0.931 286 D HN 0.808 nan 8.370 nan 0.000 0.448 287 G N -0.873 108.068 108.800 0.235 0.000 2.744 287 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.211 287 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.211 287 G C 1.168 176.092 174.900 0.039 0.000 1.143 287 G CA 0.257 45.437 45.100 0.133 0.000 0.788 287 G HN 0.210 nan 8.290 nan 0.000 0.534 288 D N 0.309 120.746 120.400 0.062 0.000 2.312 288 D HA -0.077 4.563 4.640 -0.001 0.000 0.211 288 D C 2.359 178.579 176.300 -0.134 0.000 0.964 288 D CA 0.125 54.121 54.000 -0.008 0.000 0.877 288 D CB 0.150 40.979 40.800 0.049 0.000 0.924 288 D HN 0.288 nan 8.370 nan 0.000 0.515 289 L N 1.759 122.792 121.223 -0.317 0.000 2.089 289 L HA -0.259 4.080 4.340 -0.001 0.000 0.213 289 L C 2.132 178.734 176.870 -0.447 0.000 1.079 289 L CA 1.927 56.376 54.840 -0.652 0.000 0.758 289 L CB -0.479 40.836 42.059 -1.240 0.000 0.891 289 L HN -0.139 nan 8.230 nan 0.000 0.433 290 K N -0.617 119.606 120.400 -0.295 0.000 2.002 290 K HA -0.255 4.065 4.320 -0.001 0.000 0.209 290 K C 2.271 178.747 176.600 -0.206 0.000 1.048 290 K CA 2.093 58.245 56.287 -0.225 0.000 0.930 290 K CB -0.519 31.900 32.500 -0.135 0.000 0.714 290 K HN 0.587 nan 8.250 nan 0.000 0.438 291 Q N -0.478 119.217 119.800 -0.175 0.000 2.172 291 Q HA -0.045 4.294 4.340 -0.001 0.000 0.200 291 Q C 1.900 177.747 176.000 -0.255 0.000 0.964 291 Q CA 1.118 56.811 55.803 -0.182 0.000 0.855 291 Q CB -0.186 28.467 28.738 -0.141 0.000 0.918 291 Q HN 0.454 nan 8.270 nan 0.000 0.444 292 A N 0.163 122.833 122.820 -0.250 0.000 1.865 292 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 292 A C 2.170 179.555 177.584 -0.333 0.000 1.191 292 A CA 1.687 53.554 52.037 -0.284 0.000 0.623 292 A CB -0.856 18.080 19.000 -0.107 0.000 0.826 292 A HN 0.298 nan 8.150 nan 0.000 0.444 293 V N 0.702 120.432 119.914 -0.307 0.000 2.490 293 V HA -0.211 3.909 4.120 -0.001 0.000 0.250 293 V C 1.889 177.844 176.094 -0.231 0.000 1.061 293 V CA 2.145 64.276 62.300 -0.281 0.000 1.064 293 V CB -0.796 30.815 31.823 -0.353 0.000 0.670 293 V HN 0.488 nan 8.190 nan 0.000 0.461 294 D N -0.225 120.037 120.400 -0.230 0.000 2.269 294 D HA -0.023 4.617 4.640 -0.001 0.000 0.208 294 D C 2.009 178.179 176.300 -0.216 0.000 0.963 294 D CA 0.987 54.874 54.000 -0.188 0.000 0.864 294 D CB 0.094 40.796 40.800 -0.163 0.000 0.936 294 D HN 0.412 nan 8.370 nan 0.000 0.505 295 I N 0.351 120.726 120.570 -0.325 0.000 2.277 295 I HA -0.137 4.033 4.170 -0.001 0.000 0.243 295 I C 2.270 178.187 176.117 -0.334 0.000 1.094 295 I CA 0.475 61.516 61.300 -0.432 0.000 1.393 295 I CB 0.073 37.584 38.000 -0.816 0.000 1.078 295 I HN -0.122 nan 8.210 nan 0.000 0.417 296 I N 0.393 120.784 120.570 -0.298 0.000 2.335 296 I HA -0.309 3.861 4.170 -0.001 0.000 0.251 296 I C 2.717 178.822 176.117 -0.020 0.000 1.129 296 I CA 1.036 62.285 61.300 -0.085 0.000 1.402 296 I CB -0.417 37.569 38.000 -0.023 0.000 1.069 296 I HN 0.218 nan 8.210 nan 0.000 0.424 297 R N 1.463 121.928 120.500 -0.059 0.000 2.103 297 R HA -0.187 4.153 4.340 -0.001 0.000 0.234 297 R C -0.435 175.861 176.300 -0.007 0.000 1.132 297 R CA 2.354 58.438 56.100 -0.027 0.000 0.925 297 R CB -1.570 28.699 30.300 -0.052 0.000 0.842 297 R HN 0.214 nan 8.270 nan 0.000 0.430 298 P HA -0.131 nan 4.420 nan 0.000 0.217 298 P C 1.549 178.859 177.300 0.017 0.000 1.150 298 P CA 1.349 64.443 63.100 -0.009 0.000 0.832 298 P CB -0.184 31.498 31.700 -0.031 0.000 0.787 299 L N -1.047 120.191 121.223 0.026 0.000 2.141 299 L HA -0.076 4.264 4.340 -0.001 0.000 0.209 299 L C 2.978 179.915 176.870 0.112 0.000 1.094 299 L CA 1.213 56.097 54.840 0.074 0.000 0.763 299 L CB -0.666 41.461 42.059 0.113 0.000 0.908 299 L HN -0.081 nan 8.230 nan 0.000 0.437 300 R N 0.078 120.643 120.500 0.108 0.000 2.062 300 R HA -0.075 4.265 4.340 -0.001 0.000 0.226 300 R C 2.050 178.405 176.300 0.091 0.000 1.125 300 R CA 1.014 57.189 56.100 0.125 0.000 0.966 300 R CB -0.339 30.037 30.300 0.127 0.000 0.861 300 R HN 0.061 nan 8.270 nan 0.000 0.433 301 L N -0.087 121.175 121.223 0.065 0.000 2.275 301 L HA 0.104 4.444 4.340 -0.001 0.000 0.215 301 L C 1.652 178.551 176.870 0.049 0.000 1.119 301 L CA 1.963 56.833 54.840 0.051 0.000 0.790 301 L CB -0.730 41.350 42.059 0.034 0.000 0.919 301 L HN 0.421 nan 8.230 nan 0.000 0.443 302 G N -3.281 105.551 108.800 0.053 0.000 3.126 302 G HA2 0.142 4.101 3.960 -0.001 0.000 0.224 302 G HA3 0.142 4.101 3.960 -0.001 0.000 0.224 302 G C 0.987 175.925 174.900 0.063 0.000 1.142 302 G CA 0.200 45.329 45.100 0.049 0.000 0.759 302 G HN 0.268 nan 8.290 nan 0.000 0.550 303 M N -1.126 118.523 119.600 0.082 0.000 2.976 303 M HA -0.248 4.232 4.480 -0.001 0.000 0.209 303 M C 1.661 178.033 176.300 0.121 0.000 0.579 303 M CA 0.527 55.886 55.300 0.098 0.000 0.783 303 M CB -1.246 31.400 32.600 0.077 0.000 2.807 303 M HN 0.304 nan 8.290 nan 0.000 0.362 304 A N -0.215 122.683 122.820 0.129 0.000 2.016 304 A HA 0.229 4.548 4.320 -0.001 0.000 0.217 304 A C 0.867 178.584 177.584 0.221 0.000 1.162 304 A CA 0.692 52.821 52.037 0.154 0.000 0.662 304 A CB 0.093 19.173 19.000 0.134 0.000 0.812 304 A HN 0.473 nan 8.150 nan 0.000 0.450 305 L N 0.760 122.126 121.223 0.239 0.000 2.259 305 L HA 0.179 4.519 4.340 -0.001 0.000 0.288 305 L C 0.982 178.011 176.870 0.265 0.000 1.051 305 L CA -0.321 54.701 54.840 0.303 0.000 0.824 305 L CB 1.147 43.411 42.059 0.343 0.000 1.206 305 L HN 0.424 nan 8.230 nan 0.000 0.429 306 Q N 1.388 121.374 119.800 0.310 0.000 2.137 306 Q HA -0.069 4.271 4.340 -0.001 0.000 0.198 306 Q C 0.627 176.772 176.000 0.243 0.000 0.960 306 Q CA 0.909 56.887 55.803 0.292 0.000 0.847 306 Q CB 0.216 29.215 28.738 0.436 0.000 0.915 306 Q HN 0.738 nan 8.270 nan 0.000 0.448 307 N N -0.799 118.095 118.700 0.324 0.000 2.681 307 N HA 0.182 4.922 4.740 -0.001 0.000 0.311 307 N C -0.608 175.019 175.510 0.194 0.000 1.303 307 N CA -0.678 52.523 53.050 0.251 0.000 0.926 307 N CB 0.355 39.093 38.487 0.419 0.000 1.136 307 N HN -0.225 nan 8.380 nan 0.000 0.592 308 V N 1.675 121.690 119.914 0.168 0.000 2.389 308 V HA 0.327 4.447 4.120 -0.001 0.000 0.264 308 V C -2.040 174.171 176.094 0.195 0.000 1.049 308 V CA -1.098 61.289 62.300 0.146 0.000 0.932 308 V CB 0.407 32.263 31.823 0.056 0.000 1.011 308 V HN 0.661 nan 8.190 nan 0.000 0.475 309 P HA 0.345 nan 4.420 nan 0.000 0.284 309 P C -0.363 176.959 177.300 0.037 0.000 1.253 309 P CA -0.124 62.970 63.100 -0.009 0.000 0.800 309 P CB 1.346 33.045 31.700 -0.000 0.000 0.961 310 T N 0.177 114.695 114.554 -0.059 0.000 2.918 310 T HA 0.692 5.042 4.350 -0.001 0.000 0.286 310 T C 0.178 174.999 174.700 0.201 0.000 1.026 310 T CA -0.842 61.299 62.100 0.068 0.000 1.031 310 T CB 0.974 69.798 68.868 -0.072 0.000 1.046 310 T HN 0.235 nan 8.240 nan 0.000 0.479 311 I N 2.129 122.893 120.570 0.324 0.000 2.464 311 I HA 0.345 4.514 4.170 -0.001 0.000 0.277 311 I C 0.274 176.670 176.117 0.464 0.000 1.040 311 I CA -0.800 60.768 61.300 0.446 0.000 1.153 311 I CB 0.872 39.116 38.000 0.407 0.000 1.274 311 I HN 0.429 nan 8.210 nan 0.000 0.469 312 R N 3.383 124.126 120.500 0.404 0.000 2.457 312 R HA 0.375 4.715 4.340 -0.001 0.000 0.284 312 R C 0.044 176.526 176.300 0.302 0.000 1.024 312 R CA -0.792 55.482 56.100 0.291 0.000 1.025 312 R CB 1.309 31.683 30.300 0.122 0.000 1.063 312 R HN 0.487 nan 8.270 nan 0.000 0.493 313 H N 3.242 122.322 119.070 0.017 0.000 2.629 313 H HA 0.024 4.579 4.556 -0.001 0.000 0.357 313 H C 1.198 176.336 175.328 -0.317 0.000 1.121 313 H CA -0.190 55.607 56.048 -0.418 0.000 1.406 313 H CB 1.093 30.614 29.762 -0.403 0.000 1.456 313 H HN 0.497 nan 8.280 nan 0.000 0.579 314 I N 4.384 124.500 120.570 -0.757 0.000 2.185 314 I HA -0.308 3.862 4.170 -0.001 0.000 0.246 314 I C 2.261 178.210 176.117 -0.281 0.000 1.088 314 I CA 1.272 62.305 61.300 -0.446 0.000 1.347 314 I CB -0.487 37.219 38.000 -0.489 0.000 1.041 314 I HN 0.690 nan 8.210 nan 0.000 0.415 315 L N -0.575 120.553 121.223 -0.157 0.000 2.201 315 L HA -0.221 4.119 4.340 -0.001 0.000 0.212 315 L C 2.420 179.048 176.870 -0.404 0.000 1.105 315 L CA 0.396 55.036 54.840 -0.333 0.000 0.775 315 L CB -0.515 41.294 42.059 -0.417 0.000 0.913 315 L HN 0.256 nan 8.230 nan 0.000 0.440 316 L N 0.250 121.285 121.223 -0.313 0.000 1.976 316 L HA -0.248 4.092 4.340 -0.001 0.000 0.209 316 L C 2.083 178.806 176.870 -0.244 0.000 1.071 316 L CA 2.000 56.613 54.840 -0.379 0.000 0.746 316 L CB -0.692 41.145 42.059 -0.369 0.000 0.890 316 L HN 0.193 nan 8.230 nan 0.000 0.432 317 D N -0.265 120.036 120.400 -0.165 0.000 2.123 317 D HA -0.189 4.450 4.640 -0.001 0.000 0.196 317 D C 2.202 178.470 176.300 -0.053 0.000 0.992 317 D CA 1.538 55.485 54.000 -0.088 0.000 0.833 317 D CB -0.372 40.408 40.800 -0.033 0.000 0.954 317 D HN 0.481 nan 8.370 nan 0.000 0.455 318 A N 1.063 123.808 122.820 -0.125 0.000 1.892 318 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 318 A C 2.318 179.977 177.584 0.126 0.000 1.188 318 A CA 2.719 54.680 52.037 -0.127 0.000 0.631 318 A CB -0.874 17.856 19.000 -0.450 0.000 0.822 318 A HN 0.269 nan 8.150 nan 0.000 0.447 319 A N -0.971 121.871 122.820 0.037 0.000 2.014 319 A HA 0.136 4.456 4.320 -0.001 0.000 0.218 319 A C 2.183 179.952 177.584 0.309 0.000 1.163 319 A CA 1.442 53.658 52.037 0.299 0.000 0.652 319 A CB -0.711 18.317 19.000 0.046 0.000 0.808 319 A HN 0.361 nan 8.150 nan 0.000 0.449 320 V N 0.244 120.267 119.914 0.181 0.000 2.261 320 V HA -0.271 3.849 4.120 -0.001 0.000 0.246 320 V C 2.519 178.708 176.094 0.159 0.000 1.047 320 V CA 2.127 64.523 62.300 0.160 0.000 1.015 320 V CB -0.719 31.145 31.823 0.069 0.000 0.642 320 V HN 0.605 nan 8.190 nan 0.000 0.446 321 L N -0.608 120.721 121.223 0.176 0.000 2.217 321 L HA 0.213 4.553 4.340 -0.001 0.000 0.211 321 L C 1.027 178.019 176.870 0.202 0.000 1.107 321 L CA 1.083 56.028 54.840 0.175 0.000 0.783 321 L CB -0.505 41.668 42.059 0.190 0.000 0.919 321 L HN 0.511 nan 8.230 nan 0.000 0.442 322 G N -0.784 108.225 108.800 0.348 0.000 2.667 322 G HA2 0.291 4.251 3.960 -0.001 0.000 0.294 322 G HA3 0.291 4.251 3.960 -0.001 0.000 0.294 322 G C -1.742 173.415 174.900 0.429 0.000 1.467 322 G CA -0.583 44.666 45.100 0.247 0.000 0.852 322 G HN -0.024 nan 8.290 nan 0.000 0.521 323 D N 0.171 120.670 120.400 0.166 0.000 2.369 323 D HA 0.084 4.723 4.640 -0.001 0.000 0.241 323 D C 1.245 177.409 176.300 -0.226 0.000 1.271 323 D CA -0.429 53.599 54.000 0.046 0.000 0.942 323 D CB 1.374 42.135 40.800 -0.065 0.000 1.129 323 D HN 0.456 nan 8.370 nan 0.000 0.476 324 K N -0.040 119.816 120.400 -0.908 0.000 2.057 324 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 324 K C 2.204 178.563 176.600 -0.402 0.000 1.050 324 K CA 0.867 56.448 56.287 -1.177 0.000 0.935 324 K CB 0.083 31.631 32.500 -1.587 0.000 0.715 324 K HN 0.325 nan 8.250 nan 0.000 0.439 325 R N 0.306 120.623 120.500 -0.305 0.000 2.105 325 R HA -0.105 4.234 4.340 -0.001 0.000 0.239 325 R C 2.404 178.620 176.300 -0.140 0.000 1.135 325 R CA 1.605 57.603 56.100 -0.171 0.000 0.967 325 R CB -0.425 29.791 30.300 -0.140 0.000 0.861 325 R HN 0.326 nan 8.270 nan 0.000 0.442 326 S N -0.365 115.225 115.700 -0.183 0.000 2.507 326 S HA -0.120 4.349 4.470 -0.001 0.000 0.235 326 S C 1.126 175.508 174.600 -0.363 0.000 0.988 326 S CA 0.767 58.805 58.200 -0.271 0.000 0.944 326 S CB -0.108 62.884 63.200 -0.346 0.000 0.762 326 S HN 0.411 nan 8.310 nan 0.000 0.526 327 Y N 0.840 121.115 120.300 -0.042 0.000 2.426 327 Y HA 0.512 5.061 4.550 -0.001 0.000 0.249 327 Y C 0.942 176.845 175.900 0.005 0.000 1.103 327 Y CA 0.032 58.141 58.100 0.016 0.000 1.256 327 Y CB 0.790 39.310 38.460 0.100 0.000 1.208 327 Y HN 0.422 nan 8.280 nan 0.000 0.519 328 S N -1.966 113.784 115.700 0.083 0.000 2.633 328 S HA 0.276 4.745 4.470 -0.001 0.000 0.271 328 S C -0.050 174.547 174.600 -0.005 0.000 1.112 328 S CA -0.265 57.965 58.200 0.050 0.000 0.828 328 S CB 0.765 64.015 63.200 0.084 0.000 1.086 328 S HN -0.135 nan 8.310 nan 0.000 0.461 329 S N 0.535 116.236 115.700 0.000 0.000 2.492 329 S HA 0.293 4.762 4.470 -0.001 0.000 0.218 329 S C 0.613 175.208 174.600 -0.008 0.000 1.016 329 S CA -0.195 57.996 58.200 -0.014 0.000 0.916 329 S CB -0.141 63.055 63.200 -0.007 0.000 0.791 329 S HN 0.627 nan 8.310 nan 0.000 0.513 330 R N 0.983 121.489 120.500 0.010 0.000 2.619 330 R HA -0.002 4.338 4.340 -0.001 0.000 0.268 330 R C 0.795 177.102 176.300 0.011 0.000 0.990 330 R CA 0.478 56.590 56.100 0.020 0.000 1.092 330 R CB 0.100 30.426 30.300 0.042 0.000 0.935 330 R HN 0.044 nan 8.270 nan 0.000 0.415 331 T N 1.021 115.586 114.554 0.018 0.000 2.990 331 T HA 0.035 4.384 4.350 -0.001 0.000 0.250 331 T C 0.236 174.962 174.700 0.043 0.000 1.041 331 T CA 0.346 62.456 62.100 0.018 0.000 1.010 331 T CB 0.336 69.211 68.868 0.012 0.000 1.003 331 T HN 0.363 nan 8.240 nan 0.000 0.499 332 E N 2.211 122.440 120.200 0.049 0.000 2.292 332 E HA 0.308 4.657 4.350 -0.001 0.000 0.258 332 E C -2.506 174.149 176.600 0.091 0.000 1.115 332 E CA -2.292 54.147 56.400 0.065 0.000 0.929 332 E CB 0.523 30.254 29.700 0.052 0.000 1.161 332 E HN 0.111 nan 8.360 nan 0.000 0.453 333 P HA 0.046 nan 4.420 nan 0.000 0.267 333 P C 0.024 177.400 177.300 0.126 0.000 1.205 333 P CA 0.247 63.428 63.100 0.135 0.000 0.765 333 P CB 0.310 32.085 31.700 0.125 0.000 0.828 334 L N 1.851 123.169 121.223 0.158 0.000 2.516 334 L HA 0.015 4.355 4.340 -0.001 0.000 0.288 334 L C 1.583 178.521 176.870 0.113 0.000 1.246 334 L CA 0.302 55.226 54.840 0.140 0.000 0.844 334 L CB -0.280 41.885 42.059 0.177 0.000 1.106 334 L HN 0.513 nan 8.230 nan 0.000 0.509 335 S N -0.211 115.543 115.700 0.090 0.000 2.713 335 S HA 0.177 4.646 4.470 -0.001 0.000 0.277 335 S C 0.496 175.139 174.600 0.071 0.000 1.168 335 S CA -0.679 57.566 58.200 0.075 0.000 0.994 335 S CB 1.402 64.638 63.200 0.059 0.000 1.054 335 S HN 0.644 nan 8.310 nan 0.000 0.555 336 D N 0.550 120.987 120.400 0.062 0.000 2.117 336 D HA -0.048 4.591 4.640 -0.001 0.000 0.197 336 D C 1.745 178.071 176.300 0.043 0.000 0.987 336 D CA 1.585 55.619 54.000 0.057 0.000 0.829 336 D CB -0.149 40.684 40.800 0.054 0.000 0.961 336 D HN 0.683 nan 8.370 nan 0.000 0.460 337 E N 0.531 120.757 120.200 0.042 0.000 2.007 337 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 337 E C 2.071 178.693 176.600 0.037 0.000 0.999 337 E CA 1.131 57.552 56.400 0.036 0.000 0.811 337 E CB -0.202 29.519 29.700 0.036 0.000 0.762 337 E HN 0.377 nan 8.360 nan 0.000 0.450 338 E N 0.692 120.921 120.200 0.047 0.000 2.086 338 E HA -0.237 4.113 4.350 -0.001 0.000 0.200 338 E C 2.216 178.840 176.600 0.040 0.000 1.012 338 E CA 1.172 57.605 56.400 0.055 0.000 0.812 338 E CB -0.347 29.398 29.700 0.075 0.000 0.743 338 E HN 0.191 nan 8.360 nan 0.000 0.453 339 L N 1.384 122.624 121.223 0.029 0.000 1.990 339 L HA -0.269 4.071 4.340 -0.001 0.000 0.213 339 L C 2.233 179.079 176.870 -0.040 0.000 1.072 339 L CA 1.355 56.185 54.840 -0.016 0.000 0.755 339 L CB -0.685 41.364 42.059 -0.016 0.000 0.889 339 L HN 0.136 nan 8.230 nan 0.000 0.432 340 D N 0.527 120.915 120.400 -0.020 0.000 2.133 340 D HA -0.238 4.402 4.640 -0.001 0.000 0.192 340 D C 2.072 178.369 176.300 -0.005 0.000 1.001 340 D CA 2.007 55.997 54.000 -0.018 0.000 0.844 340 D CB -0.265 40.536 40.800 0.002 0.000 0.944 340 D HN 0.519 nan 8.370 nan 0.000 0.447 341 K N 0.835 121.244 120.400 0.015 0.000 2.152 341 K HA -0.117 4.202 4.320 -0.001 0.000 0.206 341 K C 2.295 178.918 176.600 0.038 0.000 1.048 341 K CA 1.070 57.375 56.287 0.031 0.000 0.933 341 K CB -0.392 32.135 32.500 0.046 0.000 0.721 341 K HN 0.181 nan 8.250 nan 0.000 0.447 342 I N 1.744 122.329 120.570 0.024 0.000 2.315 342 I HA -0.204 3.965 4.170 -0.001 0.000 0.248 342 I C 2.772 178.882 176.117 -0.011 0.000 1.117 342 I CA 0.944 62.255 61.300 0.019 0.000 1.404 342 I CB -0.434 37.520 38.000 -0.076 0.000 1.071 342 I HN 0.330 nan 8.210 nan 0.000 0.419 343 A N 1.040 123.832 122.820 -0.047 0.000 1.883 343 A HA -0.297 4.023 4.320 -0.001 0.000 0.217 343 A C 2.402 179.974 177.584 -0.020 0.000 1.186 343 A CA 2.194 54.196 52.037 -0.057 0.000 0.624 343 A CB -0.598 18.358 19.000 -0.074 0.000 0.822 343 A HN 0.365 nan 8.150 nan 0.000 0.444 344 K N -0.575 119.825 120.400 -0.000 0.000 2.026 344 K HA -0.248 4.072 4.320 -0.001 0.000 0.208 344 K C 2.347 178.962 176.600 0.025 0.000 1.048 344 K CA 1.740 58.036 56.287 0.014 0.000 0.929 344 K CB -0.270 32.241 32.500 0.020 0.000 0.713 344 K HN 0.618 nan 8.250 nan 0.000 0.439 345 Q N 0.478 120.303 119.800 0.041 0.000 2.112 345 Q HA -0.178 4.162 4.340 -0.001 0.000 0.206 345 Q C 1.743 177.777 176.000 0.056 0.000 0.987 345 Q CA 1.815 57.655 55.803 0.062 0.000 0.858 345 Q CB -0.035 28.769 28.738 0.109 0.000 0.905 345 Q HN 0.434 nan 8.270 nan 0.000 0.420 346 L N -0.383 120.867 121.223 0.045 0.000 2.567 346 L HA 0.122 4.462 4.340 -0.001 0.000 0.225 346 L C 0.384 177.240 176.870 -0.024 0.000 1.119 346 L CA -0.100 54.754 54.840 0.023 0.000 0.871 346 L CB 0.096 42.171 42.059 0.027 0.000 1.036 346 L HN 0.281 nan 8.230 nan 0.000 0.459 347 N N -0.020 118.668 118.700 -0.020 0.000 2.901 347 N HA -0.139 4.600 4.740 -0.001 0.000 0.248 347 N C -0.121 175.337 175.510 -0.086 0.000 1.044 347 N CA 0.701 53.730 53.050 -0.035 0.000 0.847 347 N CB -1.111 37.344 38.487 -0.054 0.000 1.127 347 N HN 0.245 nan 8.380 nan 0.000 0.562 348 L N -0.255 120.922 121.223 -0.076 0.000 2.416 348 L HA 0.673 5.013 4.340 -0.001 0.000 0.263 348 L C 1.663 178.504 176.870 -0.050 0.000 1.065 348 L CA -0.383 54.405 54.840 -0.087 0.000 0.798 348 L CB 0.899 42.907 42.059 -0.084 0.000 1.267 348 L HN 0.049 nan 8.230 nan 0.000 0.467 349 G N -0.625 108.148 108.800 -0.044 0.000 2.531 349 G HA2 0.258 4.218 3.960 -0.001 0.000 0.281 349 G HA3 0.258 4.218 3.960 -0.001 0.000 0.281 349 G C 0.353 175.193 174.900 -0.101 0.000 1.382 349 G CA -0.295 44.786 45.100 -0.033 0.000 1.045 349 G HN 0.481 nan 8.290 nan 0.000 0.533 350 R N -1.535 118.898 120.500 -0.111 0.000 2.093 350 R HA 0.133 4.473 4.340 -0.001 0.000 0.224 350 R C -0.210 175.755 176.300 -0.558 0.000 1.101 350 R CA 0.329 56.250 56.100 -0.299 0.000 0.979 350 R CB -0.170 30.029 30.300 -0.169 0.000 0.877 350 R HN 0.535 nan 8.270 nan 0.000 0.441 351 W N -0.682 120.562 121.300 -0.093 0.000 2.799 351 W HA 0.471 5.130 4.660 -0.001 0.000 0.349 351 W C -0.849 175.671 176.519 0.002 0.000 1.100 351 W CA -0.835 56.486 57.345 -0.040 0.000 1.174 351 W CB 1.371 30.823 29.460 -0.014 0.000 1.427 351 W HN -0.142 nan 8.180 nan 0.000 0.547 352 N N 1.485 120.381 118.700 0.327 0.000 2.454 352 N HA 0.307 5.047 4.740 -0.001 0.000 0.291 352 N C -1.923 173.741 175.510 0.258 0.000 1.079 352 N CA -0.683 52.480 53.050 0.189 0.000 0.893 352 N CB 1.726 40.279 38.487 0.110 0.000 1.512 352 N HN 0.215 nan 8.380 nan 0.000 0.497 353 F N 3.446 123.367 119.950 -0.049 0.000 2.391 353 F HA 0.451 4.978 4.527 -0.001 0.000 0.359 353 F C -1.155 174.540 175.800 -0.176 0.000 1.122 353 F CA -0.495 57.492 58.000 -0.022 0.000 1.120 353 F CB 0.199 39.157 39.000 -0.070 0.000 1.142 353 F HN 0.394 nan 8.300 nan 0.000 0.483 354 Y N 3.946 123.974 120.300 -0.454 0.000 2.377 354 Y HA 0.713 5.263 4.550 -0.001 0.000 0.339 354 Y C 0.586 175.986 175.900 -0.834 0.000 1.011 354 Y CA -0.509 57.273 58.100 -0.530 0.000 1.093 354 Y CB 1.786 40.039 38.460 -0.345 0.000 1.201 354 Y HN 0.744 nan 8.280 nan 0.000 0.455 355 G N 0.228 108.464 108.800 -0.940 0.000 2.731 355 G HA2 0.823 4.783 3.960 -0.001 0.000 0.309 355 G HA3 0.823 4.783 3.960 -0.001 0.000 0.309 355 G C -1.918 172.472 174.900 -0.849 0.000 1.273 355 G CA -0.427 44.163 45.100 -0.849 0.000 0.798 355 G HN 0.889 nan 8.290 nan 0.000 0.509 356 A N -1.064 121.551 122.820 -0.341 0.000 2.594 356 A HA 0.658 4.978 4.320 -0.001 0.000 0.296 356 A C -1.625 175.889 177.584 -0.116 0.000 1.056 356 A CA -0.543 51.335 52.037 -0.265 0.000 0.693 356 A CB 0.785 19.610 19.000 -0.291 0.000 1.278 356 A HN 0.909 nan 8.150 nan 0.000 0.408 357 L N 1.503 122.549 121.223 -0.295 0.000 2.295 357 L HA 0.627 4.967 4.340 -0.001 0.000 0.285 357 L C -1.272 175.381 176.870 -0.362 0.000 1.035 357 L CA -0.535 54.206 54.840 -0.166 0.000 0.806 357 L CB 1.182 43.151 42.059 -0.151 0.000 1.214 357 L HN 0.737 nan 8.230 nan 0.000 0.426 358 Y N 1.200 121.584 120.300 0.140 0.000 2.409 358 Y HA 0.778 5.328 4.550 -0.001 0.000 0.343 358 Y C 0.683 176.618 175.900 0.059 0.000 0.973 358 Y CA -0.499 57.683 58.100 0.136 0.000 1.064 358 Y CB 2.305 40.844 38.460 0.131 0.000 1.207 358 Y HN 0.758 nan 8.280 nan 0.000 0.452 359 G N 2.577 111.468 108.800 0.152 0.000 2.408 359 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.682 359 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.682 359 G C -3.359 171.567 174.900 0.044 0.000 1.303 359 G CA -1.574 43.571 45.100 0.075 0.000 0.966 359 G HN 0.357 nan 8.290 nan 0.000 0.560 360 P HA 0.146 nan 4.420 nan 0.000 0.267 360 P C 0.966 178.278 177.300 0.022 0.000 1.200 360 P CA 0.040 63.151 63.100 0.019 0.000 0.772 360 P CB 0.766 32.474 31.700 0.014 0.000 0.855 361 E N 4.601 124.809 120.200 0.014 0.000 2.065 361 E HA -0.209 4.141 4.350 -0.001 0.000 0.201 361 E C -0.840 175.773 176.600 0.022 0.000 1.016 361 E CA 2.426 58.833 56.400 0.011 0.000 0.818 361 E CB -1.838 27.867 29.700 0.009 0.000 0.749 361 E HN 0.344 nan 8.360 nan 0.000 0.453 362 P HA -0.165 nan 4.420 nan 0.000 0.216 362 P C 1.852 179.173 177.300 0.035 0.000 1.154 362 P CA 1.376 64.492 63.100 0.026 0.000 0.865 362 P CB -0.230 31.483 31.700 0.020 0.000 0.789 363 I N -1.066 119.527 120.570 0.038 0.000 2.233 363 I HA -0.162 4.007 4.170 -0.001 0.000 0.243 363 I C 2.839 178.997 176.117 0.067 0.000 1.093 363 I CA 1.038 62.368 61.300 0.051 0.000 1.380 363 I CB -0.392 37.639 38.000 0.053 0.000 1.067 363 I HN -0.162 nan 8.210 nan 0.000 0.413 364 R N 0.437 120.974 120.500 0.061 0.000 2.136 364 R HA -0.285 4.054 4.340 -0.001 0.000 0.242 364 R C 2.426 178.791 176.300 0.109 0.000 1.131 364 R CA 2.022 58.160 56.100 0.064 0.000 0.937 364 R CB -0.621 29.680 30.300 0.001 0.000 0.863 364 R HN 0.298 nan 8.270 nan 0.000 0.435 365 R N 0.415 120.971 120.500 0.093 0.000 2.133 365 R HA -0.207 4.133 4.340 -0.001 0.000 0.245 365 R C 2.224 178.595 176.300 0.118 0.000 1.137 365 R CA 2.250 58.424 56.100 0.123 0.000 0.947 365 R CB -0.368 29.978 30.300 0.076 0.000 0.865 365 R HN 0.119 nan 8.270 nan 0.000 0.437 366 V N 1.161 121.122 119.914 0.079 0.000 2.358 366 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 366 V C 2.379 178.510 176.094 0.061 0.000 1.047 366 V CA 1.717 64.049 62.300 0.053 0.000 1.035 366 V CB -0.441 31.407 31.823 0.042 0.000 0.658 366 V HN 0.329 nan 8.190 nan 0.000 0.452 367 L N -0.990 120.294 121.223 0.102 0.000 1.994 367 L HA -0.236 4.104 4.340 -0.001 0.000 0.208 367 L C 2.470 179.421 176.870 0.134 0.000 1.071 367 L CA 2.311 57.226 54.840 0.126 0.000 0.745 367 L CB -0.688 41.471 42.059 0.166 0.000 0.892 367 L HN 0.527 nan 8.230 nan 0.000 0.431 368 W N 1.647 122.920 121.300 -0.045 0.000 2.350 368 W HA -0.205 4.455 4.660 -0.001 0.000 0.289 368 W C 2.051 178.498 176.519 -0.119 0.000 1.215 368 W CA 1.619 58.896 57.345 -0.112 0.000 1.236 368 W CB 0.075 29.467 29.460 -0.113 0.000 1.130 368 W HN 0.288 nan 8.180 nan 0.000 0.541 369 E N -0.578 119.534 120.200 -0.147 0.000 2.152 369 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 369 E C 2.090 178.534 176.600 -0.260 0.000 0.983 369 E CA 1.909 58.147 56.400 -0.270 0.000 0.818 369 E CB -0.277 29.351 29.700 -0.120 0.000 0.758 369 E HN 0.086 nan 8.360 nan 0.000 0.467 370 T N 1.149 115.613 114.554 -0.150 0.000 2.777 370 T HA -0.095 4.255 4.350 -0.001 0.000 0.266 370 T C 1.922 176.548 174.700 -0.123 0.000 1.040 370 T CA 0.758 62.796 62.100 -0.103 0.000 1.141 370 T CB -0.117 68.735 68.868 -0.027 0.000 0.868 370 T HN 0.096 nan 8.240 nan 0.000 0.444 371 I N 0.829 121.306 120.570 -0.154 0.000 2.058 371 I HA -0.221 3.948 4.170 -0.001 0.000 0.235 371 I C 2.661 178.669 176.117 -0.182 0.000 1.053 371 I CA 1.489 62.735 61.300 -0.090 0.000 1.313 371 I CB -0.421 37.536 38.000 -0.072 0.000 1.039 371 I HN 0.152 nan 8.210 nan 0.000 0.396 372 K N 0.650 120.615 120.400 -0.726 0.000 2.077 372 K HA -0.320 4.000 4.320 -0.001 0.000 0.213 372 K C 1.810 178.236 176.600 -0.289 0.000 1.051 372 K CA 2.492 58.253 56.287 -0.877 0.000 0.929 372 K CB -0.248 31.364 32.500 -1.479 0.000 0.715 372 K HN 0.223 nan 8.250 nan 0.000 0.451 373 D N -0.722 119.510 120.400 -0.281 0.000 2.133 373 D HA -0.173 4.467 4.640 -0.001 0.000 0.195 373 D C 1.595 177.858 176.300 -0.061 0.000 0.997 373 D CA 1.598 55.513 54.000 -0.143 0.000 0.840 373 D CB -0.050 40.666 40.800 -0.139 0.000 0.947 373 D HN 0.364 nan 8.370 nan 0.000 0.452 374 A N -0.951 121.839 122.820 -0.050 0.000 1.897 374 A HA -0.033 4.287 4.320 -0.001 0.000 0.215 374 A C 1.854 179.368 177.584 -0.118 0.000 1.181 374 A CA 0.666 52.643 52.037 -0.100 0.000 0.620 374 A CB -0.773 18.145 19.000 -0.138 0.000 0.821 374 A HN 0.278 nan 8.150 nan 0.000 0.443 375 F N 0.094 120.035 119.950 -0.015 0.000 2.811 375 F HA 0.075 4.602 4.527 -0.001 0.000 0.301 375 F C 2.332 178.158 175.800 0.044 0.000 1.151 375 F CA 0.686 58.691 58.000 0.007 0.000 1.412 375 F CB 0.111 39.145 39.000 0.058 0.000 1.113 375 F HN 0.104 nan 8.300 nan 0.000 0.579 376 S N -0.222 115.616 115.700 0.230 0.000 2.481 376 S HA -0.037 4.433 4.470 -0.001 0.000 0.231 376 S C 2.222 176.851 174.600 0.049 0.000 0.996 376 S CA 0.786 59.082 58.200 0.159 0.000 0.942 376 S CB -0.203 63.061 63.200 0.106 0.000 0.768 376 S HN 0.347 nan 8.310 nan 0.000 0.520 377 A N 0.611 123.432 122.820 0.001 0.000 2.235 377 A HA 0.261 4.581 4.320 -0.001 0.000 0.208 377 A C 0.659 178.223 177.584 -0.034 0.000 1.172 377 A CA 0.228 52.246 52.037 -0.032 0.000 0.786 377 A CB -0.314 18.647 19.000 -0.066 0.000 0.804 377 A HN 0.458 nan 8.150 nan 0.000 0.479 378 I N 2.156 122.714 120.570 -0.019 0.000 2.297 378 I HA 0.224 4.394 4.170 -0.001 0.000 0.291 378 I C -2.248 173.860 176.117 -0.016 0.000 1.033 378 I CA -2.351 58.937 61.300 -0.020 0.000 1.253 378 I CB 1.251 39.251 38.000 -0.001 0.000 1.396 378 I HN 0.013 nan 8.210 nan 0.000 0.476 379 P HA -0.036 nan 4.420 nan 0.000 0.266 379 P C 0.887 178.174 177.300 -0.022 0.000 1.186 379 P CA 0.476 63.567 63.100 -0.015 0.000 0.767 379 P CB 0.493 32.187 31.700 -0.010 0.000 0.820 380 G N 0.909 109.692 108.800 -0.028 0.000 2.233 380 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.270 380 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.270 380 G C 0.246 175.103 174.900 -0.072 0.000 1.011 380 G CA 0.151 45.230 45.100 -0.036 0.000 0.762 380 G HN 0.664 nan 8.290 nan 0.000 0.511 381 V N -0.224 119.620 119.914 -0.117 0.000 2.963 381 V HA 0.566 4.686 4.120 -0.001 0.000 0.306 381 V C 0.488 176.357 176.094 -0.375 0.000 1.077 381 V CA 0.233 62.389 62.300 -0.240 0.000 1.124 381 V CB 1.119 32.774 31.823 -0.280 0.000 0.987 381 V HN 0.334 nan 8.190 nan 0.000 0.487 382 K N 5.283 125.411 120.400 -0.454 0.000 2.513 382 K HA 0.429 4.748 4.320 -0.001 0.000 0.251 382 K C -1.795 174.510 176.600 -0.492 0.000 0.939 382 K CA -0.341 55.686 56.287 -0.433 0.000 0.793 382 K CB 2.074 34.454 32.500 -0.201 0.000 1.241 382 K HN 0.474 nan 8.250 nan 0.000 0.431 383 F N 2.316 122.116 119.950 -0.250 0.000 2.420 383 F HA 0.433 4.960 4.527 -0.000 0.000 0.342 383 F C -0.376 175.255 175.800 -0.282 0.000 1.113 383 F CA -0.477 57.471 58.000 -0.087 0.000 1.059 383 F CB 0.763 39.773 39.000 0.016 0.000 1.128 383 F HN 0.333 nan 8.300 nan 0.000 0.475 384 Y N 2.510 122.939 120.300 0.215 0.000 2.492 384 Y HA 0.564 5.114 4.550 -0.001 0.000 0.346 384 Y C -0.767 175.245 175.900 0.187 0.000 0.997 384 Y CA -1.449 56.698 58.100 0.079 0.000 1.025 384 Y CB 1.345 39.838 38.460 0.055 0.000 1.263 384 Y HN 0.290 nan 8.280 nan 0.000 0.454 385 F N 2.435 122.473 119.950 0.146 0.000 2.411 385 F HA 0.461 4.988 4.527 -0.001 0.000 0.324 385 F C -1.350 174.479 175.800 0.049 0.000 1.086 385 F CA -3.050 54.965 58.000 0.024 0.000 1.028 385 F CB 0.372 39.328 39.000 -0.072 0.000 1.284 385 F HN 0.248 nan 8.300 nan 0.000 0.501 386 P HA -0.228 nan 4.420 nan 0.000 0.214 386 P C 1.146 178.515 177.300 0.114 0.000 1.172 386 P CA 2.250 65.419 63.100 0.114 0.000 0.925 386 P CB 0.086 31.821 31.700 0.057 0.000 0.793 387 E N -0.453 119.819 120.200 0.119 0.000 2.169 387 E HA -0.217 4.132 4.350 -0.001 0.000 0.202 387 E C 1.271 177.929 176.600 0.097 0.000 1.016 387 E CA 1.633 58.092 56.400 0.098 0.000 0.817 387 E CB -0.964 28.800 29.700 0.106 0.000 0.736 387 E HN 0.387 nan 8.360 nan 0.000 0.462 388 D N 0.142 120.619 120.400 0.130 0.000 2.352 388 D HA -0.015 4.624 4.640 -0.001 0.000 0.232 388 D C 0.316 176.713 176.300 0.161 0.000 1.055 388 D CA 0.845 54.933 54.000 0.145 0.000 0.891 388 D CB -0.208 40.706 40.800 0.190 0.000 0.897 388 D HN 0.281 nan 8.370 nan 0.000 0.529 389 T N -3.215 111.395 114.554 0.094 0.000 2.901 389 T HA 0.575 4.925 4.350 -0.001 0.000 0.293 389 T C -2.937 171.775 174.700 0.018 0.000 1.084 389 T CA -2.237 59.878 62.100 0.025 0.000 1.008 389 T CB 2.283 71.135 68.868 -0.028 0.000 1.170 389 T HN -0.368 nan 8.240 nan 0.000 0.509 390 P HA 0.129 nan 4.420 nan 0.000 0.267 390 P C 0.948 178.253 177.300 0.008 0.000 1.201 390 P CA -0.139 62.965 63.100 0.006 0.000 0.775 390 P CB 0.448 32.147 31.700 -0.001 0.000 0.854 391 E N 1.925 122.131 120.200 0.010 0.000 2.085 391 E HA -0.271 4.079 4.350 -0.001 0.000 0.194 391 E C 1.198 177.799 176.600 0.001 0.000 0.994 391 E CA 1.583 57.988 56.400 0.008 0.000 0.801 391 E CB -0.144 29.561 29.700 0.009 0.000 0.743 391 E HN 0.478 nan 8.360 nan 0.000 0.453 392 N N 0.642 119.343 118.700 0.002 0.000 2.467 392 N HA -0.094 4.646 4.740 -0.001 0.000 0.184 392 N C 0.393 175.901 175.510 -0.003 0.000 1.106 392 N CA 0.542 53.592 53.050 -0.001 0.000 0.892 392 N CB -0.396 38.096 38.487 0.008 0.000 0.969 392 N HN -0.043 nan 8.380 nan 0.000 0.454 393 S N -0.595 115.104 115.700 -0.002 0.000 2.566 393 S HA 0.054 4.524 4.470 -0.001 0.000 0.280 393 S C 1.478 176.077 174.600 -0.002 0.000 1.343 393 S CA -0.504 57.696 58.200 -0.000 0.000 1.036 393 S CB 0.934 64.130 63.200 -0.008 0.000 0.866 393 S HN -0.045 nan 8.310 nan 0.000 0.526 394 V N 2.695 122.614 119.914 0.008 0.000 2.343 394 V HA -0.140 3.980 4.120 -0.001 0.000 0.247 394 V C 2.391 178.485 176.094 0.001 0.000 1.051 394 V CA 1.933 64.214 62.300 -0.032 0.000 1.036 394 V CB -1.067 30.725 31.823 -0.051 0.000 0.654 394 V HN 0.869 nan 8.190 nan 0.000 0.451 395 L N 0.252 121.573 121.223 0.164 0.000 2.043 395 L HA -0.203 4.137 4.340 -0.001 0.000 0.212 395 L C 2.534 179.441 176.870 0.061 0.000 1.075 395 L CA 1.990 56.947 54.840 0.196 0.000 0.752 395 L CB -0.751 41.408 42.059 0.167 0.000 0.891 395 L HN 0.195 nan 8.230 nan 0.000 0.432 396 R N -1.331 119.187 120.500 0.029 0.000 2.083 396 R HA -0.158 4.182 4.340 -0.001 0.000 0.237 396 R C 2.118 178.405 176.300 -0.023 0.000 1.137 396 R CA 1.844 57.948 56.100 0.006 0.000 0.951 396 R CB -0.587 29.713 30.300 0.001 0.000 0.851 396 R HN 0.340 nan 8.270 nan 0.000 0.434 397 V N 0.853 120.737 119.914 -0.051 0.000 2.261 397 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 397 V C 2.189 178.224 176.094 -0.099 0.000 1.047 397 V CA 1.826 64.073 62.300 -0.090 0.000 1.015 397 V CB -0.505 31.245 31.823 -0.120 0.000 0.642 397 V HN 0.330 nan 8.190 nan 0.000 0.446 398 R N 0.089 120.517 120.500 -0.120 0.000 2.237 398 R HA -0.170 4.170 4.340 -0.001 0.000 0.219 398 R C 1.987 178.261 176.300 -0.043 0.000 1.080 398 R CA 1.451 57.463 56.100 -0.145 0.000 0.995 398 R CB -0.467 29.659 30.300 -0.291 0.000 0.875 398 R HN 0.652 nan 8.270 nan 0.000 0.462 399 D N 1.178 121.578 120.400 -0.001 0.000 2.178 399 D HA -0.151 4.489 4.640 -0.001 0.000 0.201 399 D C 1.404 177.751 176.300 0.077 0.000 0.980 399 D CA 1.335 55.373 54.000 0.064 0.000 0.842 399 D CB 0.254 41.082 40.800 0.046 0.000 0.948 399 D HN 0.134 nan 8.370 nan 0.000 0.472 400 K N -0.869 119.517 120.400 -0.024 0.000 2.137 400 K HA 0.010 4.330 4.320 -0.001 0.000 0.202 400 K C 2.147 178.672 176.600 -0.125 0.000 1.052 400 K CA 1.184 57.411 56.287 -0.100 0.000 0.961 400 K CB -0.044 32.392 32.500 -0.108 0.000 0.741 400 K HN 0.057 nan 8.250 nan 0.000 0.452 401 T N 1.885 116.390 114.554 -0.080 0.000 2.746 401 T HA -0.086 4.264 4.350 -0.001 0.000 0.267 401 T C 1.618 176.326 174.700 0.015 0.000 1.039 401 T CA 1.237 63.305 62.100 -0.053 0.000 1.142 401 T CB -0.070 68.759 68.868 -0.066 0.000 0.866 401 T HN 0.186 nan 8.240 nan 0.000 0.444 402 M N 1.508 121.149 119.600 0.068 0.000 2.628 402 M HA 0.081 4.560 4.480 -0.001 0.000 0.232 402 M C 1.552 177.940 176.300 0.145 0.000 1.128 402 M CA 0.640 56.063 55.300 0.205 0.000 1.040 402 M CB -0.146 32.629 32.600 0.292 0.000 1.608 402 M HN 0.398 nan 8.290 nan 0.000 0.507 403 Q N -0.704 118.960 119.800 -0.227 0.000 2.135 403 Q HA 0.363 4.703 4.340 -0.001 0.000 0.231 403 Q C 0.703 176.297 176.000 -0.676 0.000 0.817 403 Q CA 0.354 55.713 55.803 -0.741 0.000 1.073 403 Q CB 0.694 28.507 28.738 -1.542 0.000 1.176 403 Q HN 0.404 nan 8.270 nan 0.000 0.478 404 G N 1.412 110.051 108.800 -0.268 0.000 2.179 404 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 404 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 404 G C 0.075 174.859 174.900 -0.194 0.000 0.977 404 G CA 0.252 45.249 45.100 -0.171 0.000 0.641 404 G HN 0.455 nan 8.290 nan 0.000 0.533 405 I N 3.158 123.557 120.570 -0.284 0.000 2.371 405 I HA 0.310 4.480 4.170 -0.001 0.000 0.290 405 I C -1.633 174.323 176.117 -0.268 0.000 1.028 405 I CA -2.178 58.919 61.300 -0.339 0.000 1.345 405 I CB 1.273 39.084 38.000 -0.315 0.000 1.407 405 I HN -0.067 nan 8.210 nan 0.000 0.501 406 P HA 0.284 nan 4.420 nan 0.000 0.282 406 P C -0.685 176.602 177.300 -0.022 0.000 1.249 406 P CA -0.220 62.789 63.100 -0.151 0.000 0.806 406 P CB 1.400 33.019 31.700 -0.136 0.000 0.984 407 T N -1.118 113.456 114.554 0.032 0.000 2.804 407 T HA 0.507 4.856 4.350 -0.001 0.000 0.290 407 T C 0.021 174.853 174.700 0.220 0.000 1.099 407 T CA -0.408 61.755 62.100 0.105 0.000 1.011 407 T CB 1.199 70.027 68.868 -0.067 0.000 1.291 407 T HN 0.513 nan 8.240 nan 0.000 0.523 408 Y N -1.688 118.676 120.300 0.108 0.000 2.471 408 Y HA 0.401 4.950 4.550 -0.001 0.000 0.249 408 Y C 0.971 176.900 175.900 0.047 0.000 1.116 408 Y CA -0.406 57.753 58.100 0.097 0.000 1.240 408 Y CB -0.654 37.865 38.460 0.099 0.000 1.251 408 Y HN 0.478 nan 8.280 nan 0.000 0.527 409 D N 2.100 122.210 120.400 -0.483 0.000 2.137 409 D HA -0.235 4.405 4.640 -0.001 0.000 0.189 409 D C 1.446 177.675 176.300 -0.118 0.000 0.998 409 D CA 2.418 56.183 54.000 -0.391 0.000 0.839 409 D CB -0.242 40.364 40.800 -0.323 0.000 0.962 409 D HN 0.551 nan 8.370 nan 0.000 0.446 410 E N 0.256 120.426 120.200 -0.051 0.000 2.501 410 E HA -0.113 4.237 4.350 -0.001 0.000 0.203 410 E C 1.704 178.379 176.600 0.125 0.000 1.072 410 E CA -0.059 56.375 56.400 0.056 0.000 0.885 410 E CB -0.082 29.647 29.700 0.048 0.000 0.813 410 E HN 0.329 nan 8.360 nan 0.000 0.556 411 L N 1.061 122.299 121.223 0.025 0.000 2.465 411 L HA -0.099 4.240 4.340 -0.001 0.000 0.224 411 L C 2.057 178.829 176.870 -0.163 0.000 1.145 411 L CA 1.060 55.842 54.840 -0.097 0.000 0.834 411 L CB -0.160 41.899 42.059 -0.000 0.000 0.944 411 L HN -0.016 nan 8.230 nan 0.000 0.451 412 K N 0.729 121.114 120.400 -0.024 0.000 2.152 412 K HA -0.218 4.102 4.320 -0.001 0.000 0.206 412 K C 2.133 178.768 176.600 0.058 0.000 1.048 412 K CA 1.837 58.138 56.287 0.024 0.000 0.933 412 K CB -0.509 32.038 32.500 0.079 0.000 0.721 412 K HN 0.592 nan 8.250 nan 0.000 0.447 413 W N 1.899 123.205 121.300 0.011 0.000 2.392 413 W HA -0.159 4.501 4.660 -0.001 0.000 0.279 413 W C 1.391 177.907 176.519 -0.004 0.000 1.225 413 W CA 0.978 58.330 57.345 0.011 0.000 1.233 413 W CB -0.728 28.680 29.460 -0.087 0.000 1.122 413 W HN 0.156 nan 8.180 nan 0.000 0.561 414 I N 0.345 120.341 120.570 -0.956 0.000 2.248 414 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 414 I C 1.068 177.017 176.117 -0.280 0.000 1.107 414 I CA 1.980 62.700 61.300 -0.968 0.000 1.373 414 I CB -1.011 36.486 38.000 -0.838 0.000 1.055 414 I HN -0.252 nan 8.210 nan 0.000 0.418 415 D N 0.674 121.010 120.400 -0.107 0.000 2.395 415 D HA -0.077 4.563 4.640 -0.001 0.000 0.250 415 D C 1.320 177.712 176.300 0.153 0.000 1.203 415 D CA 0.083 54.089 54.000 0.009 0.000 0.872 415 D CB -0.448 40.350 40.800 -0.002 0.000 0.941 415 D HN 0.632 nan 8.370 nan 0.000 0.504 416 W N 0.741 122.060 121.300 0.031 0.000 2.292 416 W HA -0.199 4.461 4.660 -0.001 0.000 0.330 416 W C 0.170 176.721 176.519 0.053 0.000 1.264 416 W CA 0.773 58.172 57.345 0.090 0.000 1.235 416 W CB 0.004 29.544 29.460 0.134 0.000 1.164 416 W HN -0.039 nan 8.180 nan 0.000 0.461 417 L N 0.257 121.532 121.223 0.086 0.000 2.416 417 L HA 0.126 4.466 4.340 -0.001 0.000 0.262 417 L C -1.015 175.830 176.870 -0.042 0.000 1.093 417 L CA -1.956 52.854 54.840 -0.049 0.000 0.801 417 L CB -0.308 41.763 42.059 0.021 0.000 1.191 417 L HN -0.212 nan 8.230 nan 0.000 0.459 418 P HA -0.187 nan 4.420 nan 0.000 0.209 418 P C 0.003 177.276 177.300 -0.046 0.000 1.167 418 P CA 1.530 64.602 63.100 -0.047 0.000 0.941 418 P CB 0.094 31.773 31.700 -0.036 0.000 0.787 419 N N -0.253 118.420 118.700 -0.045 0.000 2.839 419 N HA 0.185 4.924 4.740 -0.001 0.000 0.314 419 N C 0.485 175.927 175.510 -0.114 0.000 1.449 419 N CA -0.085 52.928 53.050 -0.063 0.000 1.050 419 N CB 0.383 38.845 38.487 -0.041 0.000 1.364 419 N HN 0.098 nan 8.380 nan 0.000 0.512 420 G N 0.318 109.044 108.800 -0.123 0.000 2.491 420 G HA2 0.444 4.403 3.960 -0.001 0.000 0.238 420 G HA3 0.444 4.403 3.960 -0.001 0.000 0.238 420 G C -0.333 174.380 174.900 -0.311 0.000 1.277 420 G CA -0.178 44.800 45.100 -0.204 0.000 0.851 420 G HN 0.360 nan 8.290 nan 0.000 0.573 421 A N 2.180 124.645 122.820 -0.592 0.000 2.515 421 A HA 0.880 5.200 4.320 -0.001 0.000 0.296 421 A C -0.483 176.659 177.584 -0.736 0.000 1.094 421 A CA -0.810 50.845 52.037 -0.636 0.000 0.718 421 A CB 1.630 20.250 19.000 -0.634 0.000 1.307 421 A HN 1.194 nan 8.150 nan 0.000 0.408 422 H N -0.461 118.321 119.070 -0.480 0.000 2.949 422 H HA 0.870 5.425 4.556 -0.001 0.000 0.356 422 H C -1.981 173.232 175.328 -0.191 0.000 1.212 422 H CA -1.217 54.663 56.048 -0.279 0.000 1.136 422 H CB 1.224 30.871 29.762 -0.193 0.000 1.869 422 H HN 0.556 nan 8.280 nan 0.000 0.556 423 L N 0.777 121.919 121.223 -0.135 0.000 2.434 423 L HA 0.370 4.710 4.340 -0.001 0.000 0.260 423 L C -1.354 175.347 176.870 -0.282 0.000 0.983 423 L CA -0.838 53.854 54.840 -0.248 0.000 0.820 423 L CB 2.356 44.416 42.059 0.001 0.000 1.361 423 L HN 0.354 nan 8.230 nan 0.000 0.410 424 F N 1.960 121.927 119.950 0.029 0.000 2.404 424 F HA 0.360 4.887 4.527 -0.000 0.000 0.354 424 F C -0.169 175.721 175.800 0.149 0.000 1.122 424 F CA -0.584 57.444 58.000 0.046 0.000 1.080 424 F CB 1.114 40.046 39.000 -0.114 0.000 1.131 424 F HN 0.112 nan 8.300 nan 0.000 0.471 425 F N 3.007 123.054 119.950 0.161 0.000 2.391 425 F HA 0.514 5.040 4.527 -0.000 0.000 0.359 425 F C -0.139 175.702 175.800 0.068 0.000 1.122 425 F CA -0.626 57.405 58.000 0.051 0.000 1.120 425 F CB 0.808 39.772 39.000 -0.060 0.000 1.142 425 F HN 0.290 nan 8.300 nan 0.000 0.483 426 S N 8.454 123.890 115.700 -0.441 0.000 2.130 426 S HA 0.334 4.804 4.470 -0.001 0.000 0.165 426 S C -2.691 171.688 174.600 -0.369 0.000 1.677 426 S CA -1.050 56.978 58.200 -0.286 0.000 1.227 426 S CB 0.467 63.771 63.200 0.173 0.000 1.115 426 S HN 0.461 nan 8.310 nan 0.000 0.452 427 P HA 0.460 nan 4.420 nan 0.000 0.279 427 P C -0.775 176.439 177.300 -0.143 0.000 1.276 427 P CA -0.653 62.263 63.100 -0.308 0.000 0.801 427 P CB 0.824 32.358 31.700 -0.276 0.000 1.127 428 I N -0.314 120.217 120.570 -0.065 0.000 2.509 428 I HA 0.580 4.750 4.170 -0.001 0.000 0.293 428 I C 0.265 176.352 176.117 -0.051 0.000 1.020 428 I CA -0.988 60.278 61.300 -0.057 0.000 1.088 428 I CB 1.141 39.120 38.000 -0.036 0.000 1.267 428 I HN 0.438 nan 8.210 nan 0.000 0.430 429 A N 6.049 128.845 122.820 -0.040 0.000 2.430 429 A HA 0.691 5.010 4.320 -0.001 0.000 0.300 429 A C -0.213 177.394 177.584 0.038 0.000 1.124 429 A CA -0.750 51.230 52.037 -0.094 0.000 0.766 429 A CB 1.455 20.314 19.000 -0.235 0.000 1.328 429 A HN 0.666 nan 8.150 nan 0.000 0.424 430 K N -0.384 120.070 120.400 0.091 0.000 2.180 430 K HA 0.362 4.682 4.320 -0.001 0.000 0.251 430 K C -0.478 176.124 176.600 0.003 0.000 1.014 430 K CA -0.182 56.147 56.287 0.070 0.000 0.913 430 K CB 0.690 33.247 32.500 0.094 0.000 1.008 430 K HN 0.317 nan 8.250 nan 0.000 0.490 431 V N 2.643 122.556 119.914 -0.001 0.000 2.071 431 V HA 0.051 4.171 4.120 -0.001 0.000 0.254 431 V C -0.291 175.764 176.094 -0.065 0.000 1.456 431 V CA -0.024 62.251 62.300 -0.041 0.000 1.383 431 V CB -0.658 31.159 31.823 -0.011 0.000 1.433 431 V HN 0.705 nan 8.190 nan 0.000 0.499 432 S N 1.478 117.124 115.700 -0.090 0.000 2.619 432 S HA 0.580 5.049 4.470 -0.001 0.000 0.280 432 S C 1.119 175.636 174.600 -0.139 0.000 1.150 432 S CA 0.042 58.189 58.200 -0.088 0.000 0.978 432 S CB 1.914 65.094 63.200 -0.034 0.000 1.041 432 S HN 0.535 nan 8.310 nan 0.000 0.485 433 G N 2.500 111.205 108.800 -0.158 0.000 2.529 433 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 433 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 433 G C 1.041 175.860 174.900 -0.135 0.000 1.177 433 G CA 1.311 46.297 45.100 -0.190 0.000 0.773 433 G HN 0.910 nan 8.290 nan 0.000 0.573 434 E N 0.219 120.376 120.200 -0.071 0.000 2.049 434 E HA -0.228 4.122 4.350 -0.001 0.000 0.198 434 E C 2.075 178.689 176.600 0.024 0.000 1.007 434 E CA 1.631 58.021 56.400 -0.017 0.000 0.809 434 E CB -0.266 29.434 29.700 0.000 0.000 0.749 434 E HN 0.424 nan 8.360 nan 0.000 0.450 435 D N -0.577 119.844 120.400 0.034 0.000 2.117 435 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 435 D C 1.840 178.152 176.300 0.020 0.000 0.982 435 D CA 1.661 55.739 54.000 0.129 0.000 0.828 435 D CB -0.146 40.755 40.800 0.168 0.000 0.967 435 D HN 0.305 nan 8.370 nan 0.000 0.464 436 A N 0.035 122.762 122.820 -0.154 0.000 1.933 436 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 436 A C 2.119 179.597 177.584 -0.177 0.000 1.175 436 A CA 1.194 53.032 52.037 -0.332 0.000 0.628 436 A CB -0.446 18.121 19.000 -0.722 0.000 0.814 436 A HN 0.221 nan 8.150 nan 0.000 0.444 437 M N -1.467 118.075 119.600 -0.097 0.000 2.229 437 M HA -0.015 4.465 4.480 -0.001 0.000 0.264 437 M C 2.263 178.650 176.300 0.145 0.000 1.063 437 M CA 1.398 56.728 55.300 0.049 0.000 1.114 437 M CB -1.002 31.613 32.600 0.025 0.000 1.387 437 M HN 0.608 nan 8.290 nan 0.000 0.420 438 M N -0.314 119.376 119.600 0.149 0.000 2.175 438 M HA -0.243 4.237 4.480 -0.001 0.000 0.264 438 M C 2.197 178.681 176.300 0.307 0.000 1.063 438 M CA 1.666 57.118 55.300 0.254 0.000 1.119 438 M CB -0.107 32.708 32.600 0.358 0.000 1.377 438 M HN 0.266 nan 8.290 nan 0.000 0.415 439 Q N -1.129 118.735 119.800 0.106 0.000 2.187 439 Q HA -0.203 4.136 4.340 -0.001 0.000 0.199 439 Q C 1.845 177.969 176.000 0.206 0.000 0.957 439 Q CA 1.204 56.914 55.803 -0.154 0.000 0.857 439 Q CB -0.149 28.165 28.738 -0.707 0.000 0.929 439 Q HN 0.650 nan 8.270 nan 0.000 0.453 440 Y N 0.364 120.739 120.300 0.126 0.000 2.242 440 Y HA -0.099 4.451 4.550 -0.000 0.000 0.291 440 Y C 1.883 177.795 175.900 0.020 0.000 1.137 440 Y CA 1.249 59.432 58.100 0.139 0.000 1.181 440 Y CB -0.571 37.964 38.460 0.124 0.000 0.989 440 Y HN 0.180 nan 8.280 nan 0.000 0.527 441 A N -0.500 122.260 122.820 -0.100 0.000 1.873 441 A HA -0.122 4.198 4.320 -0.001 0.000 0.215 441 A C 2.390 179.930 177.584 -0.073 0.000 1.186 441 A CA 2.068 54.003 52.037 -0.170 0.000 0.616 441 A CB -1.313 17.679 19.000 -0.014 0.000 0.823 441 A HN 0.285 nan 8.150 nan 0.000 0.442 442 V N 0.002 119.958 119.914 0.071 0.000 2.287 442 V HA -0.243 3.876 4.120 -0.001 0.000 0.248 442 V C 2.752 178.887 176.094 0.068 0.000 1.053 442 V CA 2.538 64.904 62.300 0.110 0.000 1.027 442 V CB -1.322 30.651 31.823 0.250 0.000 0.646 442 V HN 0.626 nan 8.190 nan 0.000 0.447 443 T N -0.686 113.931 114.554 0.106 0.000 2.777 443 T HA -0.209 4.141 4.350 -0.001 0.000 0.266 443 T C 1.944 176.688 174.700 0.073 0.000 1.040 443 T CA 1.670 63.850 62.100 0.134 0.000 1.141 443 T CB -0.156 68.925 68.868 0.356 0.000 0.868 443 T HN 0.431 nan 8.240 nan 0.000 0.444 444 K N 1.239 121.550 120.400 -0.147 0.000 2.057 444 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 444 K C 2.141 178.697 176.600 -0.073 0.000 1.049 444 K CA 1.191 57.337 56.287 -0.236 0.000 0.931 444 K CB 0.034 32.138 32.500 -0.660 0.000 0.714 444 K HN 0.251 nan 8.250 nan 0.000 0.440 445 K N 0.243 120.607 120.400 -0.060 0.000 1.969 445 K HA -0.138 4.182 4.320 -0.001 0.000 0.216 445 K C 2.098 178.733 176.600 0.058 0.000 1.048 445 K CA 1.498 57.787 56.287 0.004 0.000 0.948 445 K CB -0.256 32.253 32.500 0.016 0.000 0.726 445 K HN 0.018 nan 8.250 nan 0.000 0.442 446 R N 0.981 121.517 120.500 0.060 0.000 2.134 446 R HA -0.195 4.144 4.340 -0.001 0.000 0.248 446 R C 2.473 178.855 176.300 0.137 0.000 1.143 446 R CA 1.629 57.785 56.100 0.094 0.000 0.957 446 R CB -1.709 28.559 30.300 -0.053 0.000 0.867 446 R HN 0.381 nan 8.270 nan 0.000 0.441 447 C N 0.978 120.345 119.300 0.112 0.000 2.413 447 C HA -0.125 4.334 4.460 -0.001 0.000 0.276 447 C C 2.794 177.868 174.990 0.139 0.000 1.248 447 C CA 0.800 59.901 59.018 0.140 0.000 1.742 447 C CB -0.879 26.976 27.740 0.191 0.000 2.017 447 C HN 0.541 nan 8.230 nan 0.000 0.481 448 Q N 0.631 120.499 119.800 0.115 0.000 2.030 448 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 448 Q C 2.055 178.113 176.000 0.097 0.000 0.986 448 Q CA 1.664 57.524 55.803 0.095 0.000 0.843 448 Q CB -0.347 28.430 28.738 0.065 0.000 0.904 448 Q HN 0.701 nan 8.270 nan 0.000 0.420 449 E N 0.577 120.849 120.200 0.119 0.000 2.187 449 E HA -0.209 4.141 4.350 -0.001 0.000 0.199 449 E C 1.591 178.233 176.600 0.070 0.000 1.004 449 E CA 1.064 57.527 56.400 0.106 0.000 0.813 449 E CB -0.146 29.673 29.700 0.198 0.000 0.736 449 E HN 0.363 nan 8.360 nan 0.000 0.468 450 A N 0.074 122.987 122.820 0.156 0.000 2.251 450 A HA 0.308 4.628 4.320 -0.001 0.000 0.209 450 A C 1.650 179.285 177.584 0.085 0.000 1.187 450 A CA 0.647 52.759 52.037 0.125 0.000 0.823 450 A CB -0.117 19.024 19.000 0.234 0.000 0.846 450 A HN 0.308 nan 8.150 nan 0.000 0.486 451 G N -1.058 107.792 108.800 0.083 0.000 2.147 451 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.244 451 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.244 451 G C -0.095 174.875 174.900 0.117 0.000 1.005 451 G CA 0.460 45.610 45.100 0.084 0.000 0.713 451 G HN 0.469 nan 8.290 nan 0.000 0.515 452 L N 0.243 121.547 121.223 0.135 0.000 2.342 452 L HA 0.484 4.823 4.340 -0.001 0.000 0.271 452 L C 0.002 176.970 176.870 0.162 0.000 1.008 452 L CA -1.257 53.680 54.840 0.162 0.000 0.818 452 L CB 1.288 43.442 42.059 0.158 0.000 1.296 452 L HN -0.013 nan 8.230 nan 0.000 0.427 453 D N 1.447 121.961 120.400 0.190 0.000 2.414 453 D HA 0.051 4.691 4.640 -0.001 0.000 0.242 453 D C -0.504 175.840 176.300 0.074 0.000 1.129 453 D CA 0.206 54.299 54.000 0.155 0.000 0.885 453 D CB 1.332 42.248 40.800 0.192 0.000 1.198 453 D HN 0.190 nan 8.370 nan 0.000 0.437 454 F N 2.954 122.863 119.950 -0.068 0.000 2.467 454 F HA 0.318 4.844 4.527 -0.001 0.000 0.362 454 F C -0.409 175.192 175.800 -0.331 0.000 1.090 454 F CA -0.191 57.724 58.000 -0.141 0.000 1.202 454 F CB 0.190 39.122 39.000 -0.114 0.000 1.113 454 F HN 0.156 nan 8.300 nan 0.000 0.541 455 I N 6.007 125.902 120.570 -1.126 0.000 2.499 455 I HA 0.716 4.886 4.170 -0.001 0.000 0.288 455 I C -0.009 175.431 176.117 -1.128 0.000 1.048 455 I CA -0.630 60.057 61.300 -1.021 0.000 1.062 455 I CB 1.736 39.301 38.000 -0.725 0.000 1.238 455 I HN 0.818 nan 8.210 nan 0.000 0.426 456 G N 3.196 111.500 108.800 -0.827 0.000 2.495 456 G HA2 0.733 4.693 3.960 -0.001 0.000 0.294 456 G HA3 0.733 4.693 3.960 -0.001 0.000 0.294 456 G C -1.460 173.378 174.900 -0.103 0.000 1.397 456 G CA -0.433 44.395 45.100 -0.454 0.000 0.790 456 G HN 0.452 nan 8.290 nan 0.000 0.486 457 T N -0.636 113.874 114.554 -0.074 0.000 2.883 457 T HA 0.702 5.051 4.350 -0.001 0.000 0.296 457 T C -1.545 173.087 174.700 -0.112 0.000 1.117 457 T CA -0.494 61.621 62.100 0.024 0.000 1.006 457 T CB 1.844 70.695 68.868 -0.029 0.000 1.191 457 T HN 0.371 nan 8.240 nan 0.000 0.508 458 F N 1.632 121.666 119.950 0.139 0.000 2.493 458 F HA 0.548 5.075 4.527 -0.001 0.000 0.329 458 F C 0.754 176.608 175.800 0.089 0.000 1.126 458 F CA -0.784 57.256 58.000 0.066 0.000 0.937 458 F CB 2.034 40.993 39.000 -0.068 0.000 1.146 458 F HN 0.621 nan 8.300 nan 0.000 0.442 459 T N 0.641 115.342 114.554 0.244 0.000 2.770 459 T HA 0.595 4.944 4.350 -0.001 0.000 0.283 459 T C -0.668 174.123 174.700 0.152 0.000 0.988 459 T CA -0.770 61.439 62.100 0.182 0.000 0.957 459 T CB 0.856 69.814 68.868 0.150 0.000 0.930 459 T HN 0.295 nan 8.240 nan 0.000 0.443 460 V N 4.753 124.768 119.914 0.168 0.000 2.387 460 V HA 0.507 4.627 4.120 -0.001 0.000 0.260 460 V C 1.451 177.602 176.094 0.095 0.000 1.054 460 V CA -0.352 62.038 62.300 0.149 0.000 0.967 460 V CB -0.184 31.765 31.823 0.210 0.000 1.036 460 V HN 1.131 nan 8.190 nan 0.000 0.481 461 G N 2.980 111.819 108.800 0.065 0.000 2.553 461 G HA2 0.318 4.278 3.960 -0.001 0.000 0.278 461 G HA3 0.318 4.278 3.960 -0.001 0.000 0.278 461 G C 0.642 175.583 174.900 0.069 0.000 1.349 461 G CA -0.444 44.680 45.100 0.039 0.000 1.037 461 G HN 0.640 nan 8.290 nan 0.000 0.508 462 M N -1.453 118.186 119.600 0.064 0.000 2.236 462 M HA 0.197 4.676 4.480 -0.001 0.000 0.266 462 M C 1.926 178.264 176.300 0.063 0.000 1.070 462 M CA 1.405 56.746 55.300 0.068 0.000 1.137 462 M CB 0.236 32.873 32.600 0.062 0.000 1.378 462 M HN 0.415 nan 8.290 nan 0.000 0.426 463 R N 0.018 120.556 120.500 0.062 0.000 2.592 463 R HA 0.204 4.544 4.340 -0.001 0.000 0.439 463 R C -1.077 175.259 176.300 0.061 0.000 0.995 463 R CA -0.052 56.080 56.100 0.054 0.000 1.141 463 R CB 0.606 30.936 30.300 0.050 0.000 1.495 463 R HN 0.338 nan 8.270 nan 0.000 0.579 464 E N -0.175 120.069 120.200 0.074 0.000 2.423 464 E HA 0.394 4.744 4.350 -0.001 0.000 0.280 464 E C -1.116 175.554 176.600 0.116 0.000 1.030 464 E CA -0.794 55.661 56.400 0.090 0.000 0.812 464 E CB 1.192 30.957 29.700 0.108 0.000 1.313 464 E HN -0.126 nan 8.360 nan 0.000 0.456 465 M N 1.488 121.164 119.600 0.127 0.000 2.326 465 M HA 0.371 4.851 4.480 -0.001 0.000 0.306 465 M C -1.394 175.040 176.300 0.223 0.000 1.054 465 M CA -0.850 54.558 55.300 0.180 0.000 0.922 465 M CB 1.954 34.638 32.600 0.139 0.000 1.632 465 M HN 0.622 nan 8.290 nan 0.000 0.436 466 H N 1.632 120.717 119.070 0.026 0.000 2.705 466 H HA 0.213 4.769 4.556 -0.001 0.000 0.291 466 H C -0.562 174.784 175.328 0.031 0.000 1.085 466 H CA 0.024 56.035 56.048 -0.062 0.000 1.357 466 H CB 0.046 29.674 29.762 -0.225 0.000 1.419 466 H HN 0.336 nan 8.280 nan 0.000 0.462 467 H N 5.277 124.310 119.070 -0.061 0.000 2.818 467 H HA 0.144 4.699 4.556 -0.001 0.000 0.269 467 H C -0.450 174.742 175.328 -0.226 0.000 1.277 467 H CA -1.128 54.769 56.048 -0.251 0.000 1.290 467 H CB -0.383 29.209 29.762 -0.285 0.000 1.479 467 H HN 0.469 nan 8.280 nan 0.000 0.507 468 I N 6.881 127.406 120.570 -0.074 0.000 2.372 468 I HA -0.004 4.166 4.170 -0.001 0.000 0.298 468 I C 0.175 176.169 176.117 -0.205 0.000 1.137 468 I CA -0.291 60.924 61.300 -0.142 0.000 1.314 468 I CB -0.328 37.570 38.000 -0.169 0.000 1.444 468 I HN 0.235 nan 8.210 nan 0.000 0.541 469 V N 6.402 126.170 119.914 -0.244 0.000 2.427 469 V HA 0.038 4.157 4.120 -0.001 0.000 0.268 469 V C 0.392 176.458 176.094 -0.046 0.000 1.046 469 V CA -0.289 61.867 62.300 -0.240 0.000 0.970 469 V CB 0.745 32.514 31.823 -0.091 0.000 1.001 469 V HN 0.758 nan 8.190 nan 0.000 0.476 470 C N 7.091 126.278 119.300 -0.188 0.000 2.168 470 C HA 0.461 4.921 4.460 -0.001 0.000 0.333 470 C C 0.606 175.566 174.990 -0.050 0.000 1.106 470 C CA -1.062 57.927 59.018 -0.048 0.000 1.574 470 C CB -1.537 25.977 27.740 -0.377 0.000 2.055 470 C HN 0.675 nan 8.230 nan 0.000 0.473 471 I N 3.839 124.447 120.570 0.065 0.000 2.421 471 I HA 0.197 4.366 4.170 -0.001 0.000 0.291 471 I C 0.474 176.752 176.117 0.267 0.000 1.089 471 I CA 0.554 61.933 61.300 0.132 0.000 1.354 471 I CB 0.211 38.289 38.000 0.130 0.000 1.413 471 I HN 0.544 nan 8.210 nan 0.000 0.513 472 V N 7.828 127.894 119.914 0.253 0.000 2.581 472 V HA 0.799 4.918 4.120 -0.001 0.000 0.303 472 V C -0.749 175.511 176.094 0.277 0.000 1.041 472 V CA -0.328 62.105 62.300 0.222 0.000 0.907 472 V CB 1.529 33.507 31.823 0.259 0.000 0.994 472 V HN 0.623 nan 8.190 nan 0.000 0.442 473 F N 2.357 122.382 119.950 0.125 0.000 2.745 473 F HA 0.593 5.120 4.527 -0.001 0.000 0.316 473 F C -0.771 175.068 175.800 0.064 0.000 1.155 473 F CA -1.238 56.819 58.000 0.095 0.000 0.937 473 F CB 1.362 40.405 39.000 0.072 0.000 1.361 473 F HN 0.502 nan 8.300 nan 0.000 0.472 474 N N 1.778 120.642 118.700 0.274 0.000 2.415 474 N HA 0.086 4.825 4.740 -0.001 0.000 0.250 474 N C 0.622 176.273 175.510 0.235 0.000 1.127 474 N CA -0.099 53.039 53.050 0.148 0.000 0.945 474 N CB 1.120 39.687 38.487 0.133 0.000 1.196 474 N HN 0.871 nan 8.380 nan 0.000 0.499 475 K N 2.357 122.808 120.400 0.086 0.000 2.442 475 K HA -0.125 4.195 4.320 -0.001 0.000 0.200 475 K C 0.577 177.263 176.600 0.144 0.000 1.045 475 K CA 1.362 57.721 56.287 0.120 0.000 0.937 475 K CB 0.199 32.602 32.500 -0.162 0.000 0.757 475 K HN 0.333 nan 8.250 nan 0.000 0.474 476 K N 0.329 120.801 120.400 0.119 0.000 2.374 476 K HA 0.045 4.365 4.320 -0.001 0.000 0.202 476 K C -0.389 176.275 176.600 0.108 0.000 1.040 476 K CA -0.118 56.238 56.287 0.114 0.000 1.085 476 K CB 0.548 33.094 32.500 0.076 0.000 0.873 476 K HN 0.118 nan 8.250 nan 0.000 0.539 477 D N 1.538 122.011 120.400 0.122 0.000 2.411 477 D HA 0.078 4.718 4.640 -0.001 0.000 0.225 477 D C 1.064 177.418 176.300 0.090 0.000 1.156 477 D CA -0.090 53.969 54.000 0.098 0.000 0.874 477 D CB 0.730 41.592 40.800 0.103 0.000 1.034 477 D HN -0.010 nan 8.370 nan 0.000 0.502 478 L N 3.694 124.959 121.223 0.069 0.000 2.013 478 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 478 L C 2.351 179.245 176.870 0.039 0.000 1.073 478 L CA 1.056 55.929 54.840 0.056 0.000 0.753 478 L CB -0.331 41.754 42.059 0.044 0.000 0.890 478 L HN 0.524 nan 8.230 nan 0.000 0.432 479 I N -0.693 119.897 120.570 0.032 0.000 2.226 479 I HA -0.316 3.853 4.170 -0.001 0.000 0.245 479 I C 2.734 178.861 176.117 0.017 0.000 1.100 479 I CA 1.410 62.720 61.300 0.018 0.000 1.374 479 I CB -0.238 37.769 38.000 0.012 0.000 1.057 479 I HN 0.391 nan 8.210 nan 0.000 0.413 480 Q N 1.144 120.966 119.800 0.037 0.000 2.137 480 Q HA -0.163 4.177 4.340 -0.001 0.000 0.198 480 Q C 2.133 178.116 176.000 -0.028 0.000 0.960 480 Q CA 1.080 56.907 55.803 0.041 0.000 0.847 480 Q CB 0.188 28.988 28.738 0.103 0.000 0.915 480 Q HN 0.388 nan 8.270 nan 0.000 0.448 481 K N 0.056 120.432 120.400 -0.039 0.000 2.063 481 K HA -0.142 4.177 4.320 -0.001 0.000 0.208 481 K C 2.167 178.701 176.600 -0.110 0.000 1.048 481 K CA 1.280 57.464 56.287 -0.172 0.000 0.928 481 K CB -0.061 32.405 32.500 -0.057 0.000 0.713 481 K HN 0.164 nan 8.250 nan 0.000 0.442 482 R N 1.034 121.521 120.500 -0.021 0.000 2.115 482 R HA -0.082 4.258 4.340 -0.001 0.000 0.230 482 R C 2.135 178.471 176.300 0.060 0.000 1.111 482 R CA 1.215 57.329 56.100 0.024 0.000 0.976 482 R CB -0.046 30.270 30.300 0.027 0.000 0.870 482 R HN 0.169 nan 8.270 nan 0.000 0.445 483 K N 0.117 120.537 120.400 0.032 0.000 2.057 483 K HA -0.085 4.235 4.320 -0.001 0.000 0.207 483 K C 2.042 178.718 176.600 0.126 0.000 1.049 483 K CA 1.206 57.546 56.287 0.089 0.000 0.931 483 K CB -0.078 32.447 32.500 0.041 0.000 0.714 483 K HN -0.004 nan 8.250 nan 0.000 0.440 484 V N 1.921 121.814 119.914 -0.036 0.000 2.358 484 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 484 V C 2.229 178.269 176.094 -0.090 0.000 1.047 484 V CA 1.676 63.893 62.300 -0.138 0.000 1.035 484 V CB -0.441 31.090 31.823 -0.486 0.000 0.658 484 V HN 0.351 nan 8.190 nan 0.000 0.452 485 Q N -1.606 118.182 119.800 -0.020 0.000 2.084 485 Q HA -0.274 4.066 4.340 -0.001 0.000 0.202 485 Q C 2.070 178.128 176.000 0.097 0.000 0.978 485 Q CA 2.231 58.084 55.803 0.082 0.000 0.844 485 Q CB -0.275 28.540 28.738 0.128 0.000 0.898 485 Q HN 0.827 nan 8.270 nan 0.000 0.426 486 W N 1.301 122.576 121.300 -0.042 0.000 2.381 486 W HA -0.198 4.462 4.660 -0.000 0.000 0.301 486 W C 1.802 178.272 176.519 -0.081 0.000 1.205 486 W CA 0.997 58.318 57.345 -0.040 0.000 1.285 486 W CB -0.228 29.214 29.460 -0.030 0.000 1.133 486 W HN 0.153 nan 8.180 nan 0.000 0.521 487 L N 1.098 122.319 121.223 -0.003 0.000 1.970 487 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 487 L C 2.476 179.051 176.870 -0.491 0.000 1.071 487 L CA 2.838 57.507 54.840 -0.286 0.000 0.751 487 L CB -1.456 40.579 42.059 -0.040 0.000 0.889 487 L HN 0.151 nan 8.230 nan 0.000 0.432 488 M N -0.116 119.238 119.600 -0.409 0.000 2.088 488 M HA -0.247 4.233 4.480 -0.001 0.000 0.256 488 M C 2.384 178.374 176.300 -0.515 0.000 1.071 488 M CA 1.985 56.947 55.300 -0.564 0.000 1.097 488 M CB -0.447 31.689 32.600 -0.775 0.000 1.315 488 M HN 0.236 nan 8.290 nan 0.000 0.406 489 R N -1.692 118.596 120.500 -0.354 0.000 2.189 489 R HA -0.059 4.281 4.340 -0.001 0.000 0.223 489 R C 1.902 178.013 176.300 -0.314 0.000 1.092 489 R CA 1.664 57.635 56.100 -0.215 0.000 0.989 489 R CB -0.737 29.527 30.300 -0.060 0.000 0.876 489 R HN 0.454 nan 8.270 nan 0.000 0.457 490 T N 1.444 115.673 114.554 -0.542 0.000 2.851 490 T HA 0.029 4.379 4.350 -0.001 0.000 0.262 490 T C 1.952 176.394 174.700 -0.430 0.000 1.043 490 T CA 0.601 62.358 62.100 -0.572 0.000 1.140 490 T CB -0.022 68.211 68.868 -1.059 0.000 0.872 490 T HN 0.090 nan 8.240 nan 0.000 0.446 491 L N 0.422 121.314 121.223 -0.552 0.000 2.017 491 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 491 L C 2.416 179.068 176.870 -0.363 0.000 1.073 491 L CA 1.258 55.734 54.840 -0.606 0.000 0.745 491 L CB -0.594 40.730 42.059 -1.224 0.000 0.894 491 L HN 0.238 nan 8.230 nan 0.000 0.432 492 I N -0.064 120.348 120.570 -0.263 0.000 2.118 492 I HA -0.367 3.803 4.170 -0.001 0.000 0.241 492 I C 2.179 178.326 176.117 0.050 0.000 1.070 492 I CA 1.552 62.899 61.300 0.078 0.000 1.327 492 I CB -0.449 37.614 38.000 0.105 0.000 1.034 492 I HN 0.312 nan 8.210 nan 0.000 0.405 493 D N 0.655 121.035 120.400 -0.034 0.000 2.077 493 D HA -0.175 4.465 4.640 -0.001 0.000 0.196 493 D C 1.827 178.119 176.300 -0.012 0.000 0.986 493 D CA 1.321 55.307 54.000 -0.023 0.000 0.829 493 D CB -0.655 40.117 40.800 -0.048 0.000 0.983 493 D HN 0.273 nan 8.370 nan 0.000 0.453 494 D N 0.427 120.805 120.400 -0.037 0.000 2.154 494 D HA -0.162 4.478 4.640 -0.001 0.000 0.190 494 D C 2.309 178.661 176.300 0.087 0.000 1.003 494 D CA 0.891 54.896 54.000 0.007 0.000 0.849 494 D CB -0.697 40.102 40.800 -0.000 0.000 0.942 494 D HN 0.214 nan 8.370 nan 0.000 0.446 495 C N 0.974 120.396 119.300 0.203 0.000 2.413 495 C HA -0.076 4.384 4.460 -0.001 0.000 0.276 495 C C 2.909 178.001 174.990 0.170 0.000 1.248 495 C CA 0.810 60.071 59.018 0.406 0.000 1.742 495 C CB -1.119 27.011 27.740 0.651 0.000 2.017 495 C HN 0.398 nan 8.230 nan 0.000 0.481 496 A N 0.280 123.149 122.820 0.081 0.000 1.972 496 A HA 0.104 4.424 4.320 -0.001 0.000 0.219 496 A C 2.278 179.810 177.584 -0.087 0.000 1.169 496 A CA 1.852 53.874 52.037 -0.024 0.000 0.635 496 A CB -0.682 18.307 19.000 -0.018 0.000 0.810 496 A HN 0.599 nan 8.150 nan 0.000 0.446 497 A N -0.587 122.187 122.820 -0.077 0.000 2.168 497 A HA -0.034 4.286 4.320 -0.001 0.000 0.215 497 A C 1.507 178.976 177.584 -0.193 0.000 1.152 497 A CA 1.025 52.999 52.037 -0.103 0.000 0.716 497 A CB -0.320 18.642 19.000 -0.063 0.000 0.794 497 A HN 0.526 nan 8.150 nan 0.000 0.465 498 N N -0.569 117.935 118.700 -0.328 0.000 2.214 498 N HA 0.164 4.904 4.740 -0.001 0.000 0.214 498 N C 0.822 175.792 175.510 -0.901 0.000 1.132 498 N CA 0.748 53.401 53.050 -0.661 0.000 0.856 498 N CB 0.600 38.463 38.487 -1.040 0.000 1.020 498 N HN 0.523 nan 8.380 nan 0.000 0.509 499 G N 0.822 109.314 108.800 -0.512 0.000 2.198 499 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.257 499 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.257 499 G C -0.592 174.097 174.900 -0.351 0.000 1.042 499 G CA -0.160 44.703 45.100 -0.395 0.000 0.791 499 G HN 0.242 nan 8.290 nan 0.000 0.502 500 W N -0.570 120.724 121.300 -0.011 0.000 2.736 500 W HA 0.722 5.382 4.660 -0.001 0.000 0.335 500 W C 0.444 176.934 176.519 -0.050 0.000 1.059 500 W CA -0.917 56.426 57.345 -0.004 0.000 1.226 500 W CB 1.984 31.476 29.460 0.054 0.000 1.416 500 W HN 0.539 nan 8.180 nan 0.000 0.505 501 G N 1.233 110.132 108.800 0.165 0.000 2.533 501 G HA2 0.567 4.527 3.960 -0.001 0.000 0.304 501 G HA3 0.567 4.527 3.960 -0.001 0.000 0.304 501 G C -1.364 173.604 174.900 0.113 0.000 1.263 501 G CA -0.590 44.522 45.100 0.020 0.000 0.964 501 G HN 0.194 nan 8.290 nan 0.000 0.479 502 E N -0.674 119.601 120.200 0.126 0.000 2.313 502 E HA 0.304 4.654 4.350 -0.001 0.000 0.272 502 E C 0.058 176.739 176.600 0.135 0.000 1.038 502 E CA -0.573 55.859 56.400 0.054 0.000 0.863 502 E CB 1.307 30.999 29.700 -0.014 0.000 1.060 502 E HN 0.568 nan 8.360 nan 0.000 0.402 503 Y N 1.800 122.044 120.300 -0.093 0.000 2.478 503 Y HA 0.354 4.904 4.550 -0.001 0.000 0.261 503 Y C 0.166 175.987 175.900 -0.132 0.000 1.127 503 Y CA -0.122 57.899 58.100 -0.131 0.000 1.288 503 Y CB 0.656 38.960 38.460 -0.260 0.000 1.084 503 Y HN 0.359 nan 8.280 nan 0.000 0.530 504 R N 0.377 120.490 120.500 -0.645 0.000 2.858 504 R HA 0.420 4.759 4.340 -0.001 0.000 0.252 504 R C -1.849 174.243 176.300 -0.347 0.000 1.063 504 R CA 0.221 55.877 56.100 -0.740 0.000 0.955 504 R CB 0.816 30.236 30.300 -1.467 0.000 1.259 504 R HN 0.243 nan 8.270 nan 0.000 0.477 505 T N 0.030 114.477 114.554 -0.179 0.000 2.754 505 T HA 0.332 4.682 4.350 -0.001 0.000 0.296 505 T C -1.001 173.890 174.700 0.318 0.000 1.205 505 T CA -0.919 61.314 62.100 0.221 0.000 1.009 505 T CB 0.858 69.919 68.868 0.322 0.000 1.368 505 T HN 0.619 nan 8.240 nan 0.000 0.509 506 H N 0.340 119.664 119.070 0.424 0.000 2.607 506 H HA 0.318 4.874 4.556 -0.001 0.000 0.367 506 H C 1.191 176.538 175.328 0.033 0.000 1.181 506 H CA -0.481 55.733 56.048 0.277 0.000 1.402 506 H CB 0.687 30.657 29.762 0.347 0.000 1.474 506 H HN 0.604 nan 8.280 nan 0.000 0.596 507 L N 2.872 123.745 121.223 -0.584 0.000 2.103 507 L HA -0.285 4.055 4.340 -0.001 0.000 0.215 507 L C 2.470 179.100 176.870 -0.401 0.000 1.080 507 L CA 1.784 56.253 54.840 -0.618 0.000 0.764 507 L CB -0.660 40.628 42.059 -1.285 0.000 0.890 507 L HN 0.655 nan 8.230 nan 0.000 0.435 508 A N -1.467 121.169 122.820 -0.307 0.000 2.208 508 A HA 0.033 4.353 4.320 -0.001 0.000 0.209 508 A C 1.439 178.528 177.584 -0.826 0.000 1.161 508 A CA 0.601 52.314 52.037 -0.539 0.000 0.782 508 A CB -0.336 18.235 19.000 -0.716 0.000 0.816 508 A HN 0.398 nan 8.150 nan 0.000 0.477 509 F N -1.789 118.258 119.950 0.161 0.000 2.682 509 F HA 0.315 4.842 4.527 -0.001 0.000 0.308 509 F C 1.846 177.720 175.800 0.124 0.000 1.093 509 F CA -0.288 57.794 58.000 0.136 0.000 1.244 509 F CB -0.447 38.642 39.000 0.148 0.000 1.052 509 F HN 0.043 nan 8.300 nan 0.000 0.573 510 M N 0.280 119.975 119.600 0.158 0.000 2.082 510 M HA -0.246 4.234 4.480 -0.001 0.000 0.258 510 M C 1.719 178.106 176.300 0.145 0.000 1.069 510 M CA 1.912 57.280 55.300 0.114 0.000 1.102 510 M CB -0.439 32.175 32.600 0.023 0.000 1.336 510 M HN 0.088 nan 8.290 nan 0.000 0.404 511 D N -0.169 120.332 120.400 0.169 0.000 2.078 511 D HA -0.208 4.432 4.640 -0.001 0.000 0.193 511 D C 1.924 178.336 176.300 0.186 0.000 0.990 511 D CA 1.340 55.460 54.000 0.199 0.000 0.827 511 D CB -0.576 40.363 40.800 0.232 0.000 0.975 511 D HN 0.493 nan 8.370 nan 0.000 0.451 512 Q N 0.301 120.217 119.800 0.194 0.000 2.077 512 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 512 Q C 2.510 178.629 176.000 0.198 0.000 0.989 512 Q CA 1.135 57.053 55.803 0.191 0.000 0.853 512 Q CB -0.141 28.728 28.738 0.219 0.000 0.907 512 Q HN 0.261 nan 8.270 nan 0.000 0.418 513 I N 0.077 120.785 120.570 0.231 0.000 2.226 513 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 513 I C 2.486 178.774 176.117 0.286 0.000 1.100 513 I CA 1.049 62.496 61.300 0.245 0.000 1.374 513 I CB -0.156 37.993 38.000 0.249 0.000 1.057 513 I HN 0.347 nan 8.210 nan 0.000 0.413 514 M N 0.757 120.499 119.600 0.237 0.000 2.159 514 M HA -0.219 4.261 4.480 -0.001 0.000 0.263 514 M C 2.048 178.511 176.300 0.272 0.000 1.063 514 M CA 1.760 57.215 55.300 0.259 0.000 1.110 514 M CB -0.365 32.345 32.600 0.184 0.000 1.374 514 M HN 0.053 nan 8.290 nan 0.000 0.411 515 E N -0.666 119.660 120.200 0.209 0.000 2.267 515 E HA -0.158 4.192 4.350 -0.001 0.000 0.197 515 E C 1.701 178.390 176.600 0.148 0.000 0.998 515 E CA 1.748 58.252 56.400 0.173 0.000 0.830 515 E CB -0.660 29.125 29.700 0.141 0.000 0.751 515 E HN 0.561 nan 8.360 nan 0.000 0.491 516 T N -0.611 114.023 114.554 0.134 0.000 2.821 516 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 516 T C 0.031 174.693 174.700 -0.063 0.000 1.046 516 T CA 0.865 62.967 62.100 0.003 0.000 1.139 516 T CB -0.281 68.556 68.868 -0.052 0.000 0.871 516 T HN 0.209 nan 8.240 nan 0.000 0.454 517 Y N 2.896 123.236 120.300 0.066 0.000 2.930 517 Y HA 0.221 4.771 4.550 -0.001 0.000 0.386 517 Y C 1.050 177.031 175.900 0.134 0.000 1.185 517 Y CA -0.955 57.172 58.100 0.044 0.000 1.922 517 Y CB -0.690 37.716 38.460 -0.089 0.000 2.006 517 Y HN 0.255 nan 8.280 nan 0.000 0.431 518 N N -1.554 117.278 118.700 0.221 0.000 2.251 518 N HA -0.067 4.673 4.740 -0.001 0.000 0.217 518 N C -0.057 175.578 175.510 0.209 0.000 1.124 518 N CA -0.537 52.638 53.050 0.208 0.000 0.843 518 N CB -0.305 38.265 38.487 0.138 0.000 1.024 518 N HN 0.400 nan 8.380 nan 0.000 0.501 519 W N 2.775 124.123 121.300 0.078 0.000 2.470 519 W HA -0.061 4.599 4.660 -0.001 0.000 0.341 519 W C 0.942 177.503 176.519 0.070 0.000 1.199 519 W CA 1.121 58.501 57.345 0.059 0.000 1.339 519 W CB -0.131 29.363 29.460 0.056 0.000 1.178 519 W HN 0.500 nan 8.180 nan 0.000 0.578 520 N N 4.665 122.753 118.700 -1.020 0.000 2.699 520 N HA -0.356 4.384 4.740 -0.001 0.000 0.256 520 N C -0.255 175.062 175.510 -0.322 0.000 0.993 520 N CA 0.814 53.331 53.050 -0.888 0.000 0.759 520 N CB -1.225 36.491 38.487 -1.285 0.000 0.906 520 N HN 0.761 nan 8.380 nan 0.000 0.541 521 N N -0.444 118.149 118.700 -0.178 0.000 2.725 521 N HA -0.187 4.553 4.740 -0.001 0.000 0.251 521 N C -0.234 175.291 175.510 0.025 0.000 1.031 521 N CA 1.355 54.372 53.050 -0.056 0.000 0.720 521 N CB -1.504 36.945 38.487 -0.064 0.000 0.930 521 N HN 0.582 nan 8.380 nan 0.000 0.543 522 S N -2.388 113.364 115.700 0.087 0.000 3.586 522 S HA -0.239 4.231 4.470 -0.001 0.000 0.309 522 S C 1.379 176.092 174.600 0.189 0.000 1.195 522 S CA 0.991 59.291 58.200 0.167 0.000 0.895 522 S CB -1.212 62.078 63.200 0.150 0.000 0.983 522 S HN 0.727 nan 8.310 nan 0.000 0.563 523 S N -0.143 115.663 115.700 0.177 0.000 2.368 523 S HA -0.180 4.290 4.470 -0.001 0.000 0.226 523 S C 1.322 176.075 174.600 0.255 0.000 1.044 523 S CA 2.082 60.395 58.200 0.188 0.000 1.062 523 S CB -0.335 62.981 63.200 0.195 0.000 0.931 523 S HN 0.664 nan 8.310 nan 0.000 0.440 524 F N 1.530 121.601 119.950 0.201 0.000 2.091 524 F HA -0.149 4.378 4.527 -0.001 0.000 0.299 524 F C 1.930 177.843 175.800 0.189 0.000 1.103 524 F CA 1.876 59.992 58.000 0.193 0.000 1.228 524 F CB -0.500 38.604 39.000 0.174 0.000 0.984 524 F HN 0.310 nan 8.300 nan 0.000 0.477 525 L N 0.494 121.876 121.223 0.265 0.000 2.156 525 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 525 L C 2.376 179.296 176.870 0.084 0.000 1.095 525 L CA 1.367 56.295 54.840 0.147 0.000 0.770 525 L CB -0.778 41.415 42.059 0.224 0.000 0.914 525 L HN -0.062 nan 8.230 nan 0.000 0.439 526 R N -0.674 119.902 120.500 0.126 0.000 2.080 526 R HA -0.211 4.129 4.340 -0.001 0.000 0.236 526 R C 2.248 178.592 176.300 0.073 0.000 1.137 526 R CA 2.024 58.189 56.100 0.109 0.000 0.943 526 R CB -1.510 28.862 30.300 0.120 0.000 0.846 526 R HN 0.468 nan 8.270 nan 0.000 0.431 527 F N 2.450 122.358 119.950 -0.071 0.000 2.134 527 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 527 F C 1.943 177.637 175.800 -0.177 0.000 1.097 527 F CA 1.354 59.282 58.000 -0.118 0.000 1.264 527 F CB -0.308 38.613 39.000 -0.131 0.000 1.001 527 F HN 0.005 nan 8.300 nan 0.000 0.479 528 N N 0.674 119.199 118.700 -0.292 0.000 2.166 528 N HA -0.185 4.555 4.740 -0.001 0.000 0.186 528 N C 1.731 177.082 175.510 -0.264 0.000 1.019 528 N CA 1.675 54.501 53.050 -0.374 0.000 0.856 528 N CB -0.327 37.954 38.487 -0.343 0.000 0.993 528 N HN 0.525 nan 8.380 nan 0.000 0.426 529 E N 0.441 120.562 120.200 -0.131 0.000 2.085 529 E HA -0.119 4.231 4.350 -0.001 0.000 0.194 529 E C 2.091 178.629 176.600 -0.103 0.000 0.994 529 E CA 0.870 57.236 56.400 -0.056 0.000 0.801 529 E CB 0.044 29.774 29.700 0.050 0.000 0.743 529 E HN 0.078 nan 8.360 nan 0.000 0.453 530 V N 1.524 121.345 119.914 -0.156 0.000 2.255 530 V HA -0.297 3.823 4.120 -0.001 0.000 0.247 530 V C 2.326 178.284 176.094 -0.226 0.000 1.051 530 V CA 1.741 63.939 62.300 -0.171 0.000 1.018 530 V CB -0.595 31.123 31.823 -0.176 0.000 0.641 530 V HN 0.272 nan 8.190 nan 0.000 0.445 531 L N -0.096 120.904 121.223 -0.370 0.000 2.046 531 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 531 L C 2.578 179.318 176.870 -0.216 0.000 1.077 531 L CA 1.950 56.589 54.840 -0.334 0.000 0.747 531 L CB -0.708 41.080 42.059 -0.452 0.000 0.896 531 L HN 0.313 nan 8.230 nan 0.000 0.432 532 K N 0.574 120.857 120.400 -0.195 0.000 2.062 532 K HA -0.103 4.217 4.320 -0.001 0.000 0.205 532 K C 1.828 178.383 176.600 -0.074 0.000 1.051 532 K CA 1.330 57.540 56.287 -0.128 0.000 0.941 532 K CB -0.168 32.261 32.500 -0.118 0.000 0.719 532 K HN 0.181 nan 8.250 nan 0.000 0.440 533 N N 0.575 119.243 118.700 -0.053 0.000 2.309 533 N HA -0.080 4.659 4.740 -0.001 0.000 0.182 533 N C 1.504 176.998 175.510 -0.026 0.000 1.018 533 N CA 1.124 54.163 53.050 -0.018 0.000 0.876 533 N CB -0.172 38.316 38.487 0.000 0.000 0.972 533 N HN 0.351 nan 8.380 nan 0.000 0.434 534 A N 0.849 123.638 122.820 -0.052 0.000 1.855 534 A HA -0.090 4.230 4.320 -0.001 0.000 0.215 534 A C 2.308 179.872 177.584 -0.033 0.000 1.191 534 A CA 1.899 53.909 52.037 -0.046 0.000 0.613 534 A CB -0.682 18.276 19.000 -0.070 0.000 0.829 534 A HN 0.198 nan 8.150 nan 0.000 0.442 535 V N -3.242 116.645 119.914 -0.044 0.000 3.406 535 V HA 0.176 4.296 4.120 -0.001 0.000 0.263 535 V C 0.447 176.536 176.094 -0.009 0.000 1.172 535 V CA 1.491 63.777 62.300 -0.024 0.000 1.140 535 V CB -0.050 31.753 31.823 -0.033 0.000 0.784 535 V HN 0.379 nan 8.190 nan 0.000 0.467 536 D N 0.857 121.251 120.400 -0.009 0.000 2.613 536 D HA 0.354 4.994 4.640 -0.001 0.000 0.312 536 D C -1.669 174.646 176.300 0.024 0.000 1.202 536 D CA -1.962 52.044 54.000 0.010 0.000 0.825 536 D CB 1.354 42.157 40.800 0.004 0.000 1.113 536 D HN 0.207 nan 8.370 nan 0.000 0.502 537 P HA -0.087 nan 4.420 nan 0.000 0.221 537 P C 0.649 177.975 177.300 0.043 0.000 1.145 537 P CA 0.809 63.925 63.100 0.028 0.000 0.795 537 P CB 0.420 32.132 31.700 0.019 0.000 0.775 538 N N -0.952 117.781 118.700 0.054 0.000 2.353 538 N HA 0.074 4.814 4.740 -0.001 0.000 0.185 538 N C 1.186 176.759 175.510 0.105 0.000 1.098 538 N CA 0.899 53.990 53.050 0.069 0.000 0.872 538 N CB -0.349 38.181 38.487 0.072 0.000 0.970 538 N HN 0.133 nan 8.380 nan 0.000 0.467 539 G N 2.152 111.013 108.800 0.102 0.000 2.338 539 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.296 539 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.296 539 G C 0.730 175.719 174.900 0.149 0.000 1.040 539 G CA 0.724 45.904 45.100 0.133 0.000 1.004 539 G HN 0.472 nan 8.290 nan 0.000 0.509 540 I N -2.763 117.875 120.570 0.113 0.000 3.860 540 I HA 0.411 4.580 4.170 -0.001 0.000 0.319 540 I C 0.627 176.802 176.117 0.096 0.000 1.279 540 I CA -0.371 61.010 61.300 0.134 0.000 1.220 540 I CB 0.227 38.322 38.000 0.158 0.000 1.027 540 I HN 0.064 nan 8.210 nan 0.000 0.428 541 I N 3.418 124.010 120.570 0.036 0.000 2.269 541 I HA 0.407 4.576 4.170 -0.001 0.000 0.293 541 I C 1.018 177.094 176.117 -0.068 0.000 1.106 541 I CA -0.898 60.396 61.300 -0.011 0.000 1.248 541 I CB -0.488 37.490 38.000 -0.036 0.000 1.444 541 I HN 0.360 nan 8.210 nan 0.000 0.497 542 A N 8.135 130.938 122.820 -0.028 0.000 2.203 542 A HA -0.131 4.189 4.320 -0.001 0.000 0.279 542 A C -2.099 175.395 177.584 -0.150 0.000 1.396 542 A CA -0.407 51.622 52.037 -0.015 0.000 0.747 542 A CB -1.706 17.111 19.000 -0.306 0.000 1.151 542 A HN 0.529 nan 8.150 nan 0.000 0.345 543 P HA 0.329 nan 4.420 nan 0.000 0.264 543 P C 1.257 177.983 177.300 -0.956 0.000 1.193 543 P CA 1.608 64.335 63.100 -0.621 0.000 0.763 543 P CB 0.781 31.858 31.700 -1.038 0.000 0.810 544 G N 1.896 109.862 108.800 -1.389 0.000 2.234 544 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.235 544 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.235 544 G C 0.321 174.744 174.900 -0.795 0.000 0.997 544 G CA 0.203 44.155 45.100 -1.914 0.000 0.623 544 G HN 0.745 nan 8.290 nan 0.000 0.514 545 K N 1.710 121.865 120.400 -0.408 0.000 2.504 545 K HA 0.358 4.678 4.320 -0.001 0.000 0.278 545 K C 1.251 177.699 176.600 -0.253 0.000 1.025 545 K CA 1.312 57.472 56.287 -0.211 0.000 1.093 545 K CB -0.196 32.147 32.500 -0.262 0.000 0.873 545 K HN 1.018 nan 8.250 nan 0.000 0.483 546 S N 2.607 118.204 115.700 -0.170 0.000 3.445 546 S HA -0.190 4.280 4.470 -0.001 0.000 0.319 546 S C 0.883 175.420 174.600 -0.104 0.000 1.209 546 S CA 1.200 59.322 58.200 -0.129 0.000 0.934 546 S CB -2.183 60.935 63.200 -0.136 0.000 0.999 546 S HN 1.497 nan 8.310 nan 0.000 0.582 547 G N -1.331 107.368 108.800 -0.169 0.000 2.143 547 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.248 547 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.248 547 G C -0.031 174.780 174.900 -0.150 0.000 0.991 547 G CA 0.030 45.079 45.100 -0.084 0.000 0.689 547 G HN 1.303 nan 8.290 nan 0.000 0.522 548 V N -0.022 119.697 119.914 -0.325 0.000 2.350 548 V HA 0.667 4.787 4.120 -0.001 0.000 0.276 548 V C -0.126 175.770 176.094 -0.329 0.000 1.028 548 V CA -0.599 61.580 62.300 -0.202 0.000 0.860 548 V CB 0.751 32.471 31.823 -0.172 0.000 0.990 548 V HN 0.302 nan 8.190 nan 0.000 0.453 549 W N 6.260 127.539 121.300 -0.035 0.000 2.600 549 W HA 0.568 5.228 4.660 -0.000 0.000 0.325 549 W C -2.172 174.386 176.519 0.065 0.000 1.034 549 W CA -2.154 55.179 57.345 -0.020 0.000 1.226 549 W CB 1.563 31.034 29.460 0.019 0.000 1.379 549 W HN 0.344 nan 8.180 nan 0.000 0.466 550 P HA -0.003 nan 4.420 nan 0.000 0.270 550 P C 0.868 178.349 177.300 0.302 0.000 1.223 550 P CA 0.135 63.376 63.100 0.234 0.000 0.785 550 P CB 0.852 32.678 31.700 0.211 0.000 0.923 551 S N 0.425 116.240 115.700 0.191 0.000 2.419 551 S HA -0.220 4.250 4.470 -0.001 0.000 0.235 551 S C 1.374 176.052 174.600 0.130 0.000 1.019 551 S CA 0.853 59.138 58.200 0.141 0.000 0.982 551 S CB -0.929 62.316 63.200 0.074 0.000 0.789 551 S HN 0.619 nan 8.310 nan 0.000 0.490 552 Q N 0.046 119.925 119.800 0.131 0.000 2.373 552 Q HA 0.116 4.456 4.340 -0.001 0.000 0.206 552 Q C -0.825 175.129 176.000 -0.077 0.000 0.942 552 Q CA 0.245 56.062 55.803 0.024 0.000 0.953 552 Q CB -0.808 27.914 28.738 -0.026 0.000 1.022 552 Q HN 0.715 nan 8.270 nan 0.000 0.502 553 Y N 1.241 121.610 120.300 0.115 0.000 2.646 553 Y HA 0.251 4.801 4.550 -0.001 0.000 0.334 553 Y C -0.010 175.995 175.900 0.176 0.000 1.004 553 Y CA -0.941 57.220 58.100 0.102 0.000 1.301 553 Y CB 1.508 39.952 38.460 -0.028 0.000 1.093 553 Y HN 0.009 nan 8.280 nan 0.000 0.530 554 S N 2.156 118.038 115.700 0.303 0.000 2.546 554 S HA -0.061 4.409 4.470 -0.001 0.000 0.290 554 S C 1.114 175.826 174.600 0.186 0.000 1.262 554 S CA -0.170 58.139 58.200 0.182 0.000 1.083 554 S CB 0.337 63.590 63.200 0.088 0.000 0.859 554 S HN 0.683 nan 8.310 nan 0.000 0.495 555 H N 3.970 123.000 119.070 -0.066 0.000 2.387 555 H HA -0.060 4.496 4.556 -0.001 0.000 0.299 555 H C 2.011 177.268 175.328 -0.119 0.000 1.099 555 H CA 1.670 57.627 56.048 -0.153 0.000 1.315 555 H CB -0.650 29.078 29.762 -0.057 0.000 1.380 555 H HN 0.477 nan 8.280 nan 0.000 0.513 556 V N 0.014 119.961 119.914 0.056 0.000 2.407 556 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 556 V C 2.207 178.245 176.094 -0.093 0.000 1.055 556 V CA 2.304 64.597 62.300 -0.012 0.000 1.049 556 V CB -0.546 31.265 31.823 -0.019 0.000 0.662 556 V HN 0.504 nan 8.190 nan 0.000 0.455 557 T N -2.034 112.432 114.554 -0.147 0.000 2.894 557 T HA -0.113 4.236 4.350 -0.001 0.000 0.258 557 T C 1.404 175.774 174.700 -0.551 0.000 1.043 557 T CA 1.244 63.124 62.100 -0.368 0.000 1.141 557 T CB -0.204 68.379 68.868 -0.476 0.000 0.873 557 T HN 0.613 nan 8.240 nan 0.000 0.449 558 W N 1.356 122.498 121.300 -0.263 0.000 2.762 558 W HA 0.356 5.016 4.660 -0.000 0.000 0.265 558 W C 0.844 177.195 176.519 -0.280 0.000 1.263 558 W CA -0.631 56.489 57.345 -0.375 0.000 1.411 558 W CB 0.234 29.071 29.460 -1.038 0.000 1.065 558 W HN -0.087 nan 8.180 nan 0.000 0.609 559 K N 1.167 121.512 120.400 -0.092 0.000 2.258 559 K HA 0.352 4.672 4.320 -0.001 0.000 0.264 559 K C -0.238 176.427 176.600 0.109 0.000 1.007 559 K CA 0.186 56.510 56.287 0.063 0.000 0.941 559 K CB 0.556 33.065 32.500 0.015 0.000 0.966 559 K HN -0.157 nan 8.250 nan 0.000 0.480 560 L N 0.000 121.313 121.223 0.150 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.892 54.840 0.086 0.000 0.813 560 L CB 0.000 42.079 42.059 0.033 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502