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 1yir_1_D DATA FIRST_RESID 3 DATA SEQUENCE LAESAFSERI VQNLLDTDFY KLTMMQAVLH NYPNAEVEWE FRCRNQEDLR DATA SEQUENCE LYLPAIREQL EYLAGLAISD EQLAFLERIP FLAPDFIRFL GLFRFNPRYV DATA SEQUENCE QTGIENDEFF LRLKGPWLHV ILFEVPLLAM ISEVRNRARY PAATVEQARE DATA SEQUENCE RLQEKFDWLR REASAEELAG FKMADFGTRR RFSYRVHEAV VSGLKEDFPG DATA SEQUENCE CFVGTSNVHL ARKLDLKPLG TMAHEWLMAH QQLGPRLIDS QSAALDCWVR DATA SEQUENCE EYRGLLGIAL TDCITTDAFL RDFDLYFAKL FDGLRHDSGD PLLWAEKTIA DATA SEQUENCE HYLKLGIDPL TKTLVFSDGL DLPRALKIYR ALQGRINVSF GIGTHFTCDL DATA SEQUENCE PGVEPMNIVV KMSACNGHPV AKISDTPXXX XXXXPDFIHY LKHVFQV 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.869 176.870 -0.002 0.000 1.165 3 L CA 0.000 54.841 54.840 0.002 0.000 0.813 3 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 4 A N 1.344 124.159 122.820 -0.008 0.000 2.520 4 A HA 0.255 4.595 4.320 0.032 0.000 0.235 4 A C 0.428 178.003 177.584 -0.014 0.000 1.065 4 A CA 0.312 52.338 52.037 -0.018 0.000 0.764 4 A CB -0.121 18.863 19.000 -0.028 0.000 1.002 4 A HN 0.373 nan 8.150 nan 0.000 0.502 5 E N 1.558 121.745 120.200 -0.022 0.000 2.384 5 E HA 0.185 4.555 4.350 0.032 0.000 0.266 5 E C 0.359 176.942 176.600 -0.028 0.000 1.012 5 E CA 0.029 56.419 56.400 -0.017 0.000 0.901 5 E CB 0.466 30.153 29.700 -0.022 0.000 0.967 5 E HN 0.681 nan 8.360 nan 0.000 0.435 6 S N 2.653 118.351 115.700 -0.002 0.000 2.579 6 S HA 0.136 4.625 4.470 0.032 0.000 0.275 6 S C 0.889 175.432 174.600 -0.095 0.000 1.345 6 S CA 0.239 58.436 58.200 -0.006 0.000 1.031 6 S CB 1.094 64.347 63.200 0.088 0.000 0.892 6 S HN 0.613 nan 8.310 nan 0.000 0.529 7 A N 3.867 126.524 122.820 -0.271 0.000 2.206 7 A HA 0.266 4.605 4.320 0.032 0.000 0.211 7 A C 0.191 177.479 177.584 -0.493 0.000 1.158 7 A CA 0.388 52.166 52.037 -0.432 0.000 0.761 7 A CB -0.399 18.262 19.000 -0.565 0.000 0.801 7 A HN 0.697 nan 8.150 nan 0.000 0.473 8 F N 0.328 120.346 119.950 0.114 0.000 2.458 8 F HA 0.456 5.003 4.527 0.033 0.000 0.336 8 F C 0.941 176.780 175.800 0.066 0.000 1.114 8 F CA -0.518 57.531 58.000 0.082 0.000 0.987 8 F CB 1.662 40.690 39.000 0.046 0.000 1.130 8 F HN 0.091 nan 8.300 nan 0.000 0.458 9 S N 1.133 116.984 115.700 0.251 0.000 2.694 9 S HA 0.342 4.831 4.470 0.032 0.000 0.278 9 S C 0.853 175.524 174.600 0.119 0.000 1.152 9 S CA -0.551 57.753 58.200 0.174 0.000 1.010 9 S CB 1.122 64.453 63.200 0.218 0.000 1.104 9 S HN 0.619 nan 8.310 nan 0.000 0.547 10 E N 0.690 120.928 120.200 0.062 0.000 2.028 10 E HA 0.063 4.432 4.350 0.032 0.000 0.190 10 E C 0.496 177.057 176.600 -0.064 0.000 0.984 10 E CA 0.695 57.096 56.400 0.002 0.000 0.800 10 E CB -0.308 29.388 29.700 -0.005 0.000 0.758 10 E HN 0.495 nan 8.360 nan 0.000 0.448 11 R N 0.290 120.738 120.500 -0.087 0.000 2.500 11 R HA 0.398 4.757 4.340 0.032 0.000 0.275 11 R C 0.980 177.186 176.300 -0.156 0.000 1.051 11 R CA -0.200 55.772 56.100 -0.213 0.000 1.088 11 R CB 0.958 31.132 30.300 -0.209 0.000 1.063 11 R HN 0.099 nan 8.270 nan 0.000 0.511 12 I N 0.484 120.914 120.570 -0.234 0.000 2.726 12 I HA 0.014 4.204 4.170 0.032 0.000 0.243 12 I C 0.271 176.346 176.117 -0.070 0.000 1.082 12 I CA 0.432 61.672 61.300 -0.101 0.000 1.447 12 I CB 0.328 38.252 38.000 -0.128 0.000 1.250 12 I HN 0.201 nan 8.210 nan 0.000 0.453 13 V N 3.020 122.887 119.914 -0.079 0.000 2.406 13 V HA 0.062 4.202 4.120 0.032 0.000 0.272 13 V C 0.862 176.944 176.094 -0.021 0.000 1.043 13 V CA -0.311 61.999 62.300 0.017 0.000 0.915 13 V CB 1.284 33.196 31.823 0.149 0.000 0.988 13 V HN 0.317 nan 8.190 nan 0.000 0.466 14 Q N 3.753 123.399 119.800 -0.256 0.000 2.046 14 Q HA -0.047 4.313 4.340 0.032 0.000 0.200 14 Q C 0.581 176.481 176.000 -0.168 0.000 0.975 14 Q CA 1.488 57.059 55.803 -0.386 0.000 0.836 14 Q CB -0.074 28.079 28.738 -0.975 0.000 0.896 14 Q HN 1.040 nan 8.270 nan 0.000 0.428 15 N N -2.930 115.678 118.700 -0.154 0.000 3.387 15 N HA 0.032 4.792 4.740 0.032 0.000 0.294 15 N C -0.159 175.355 175.510 0.007 0.000 1.519 15 N CA -0.553 52.461 53.050 -0.060 0.000 0.875 15 N CB -0.103 38.336 38.487 -0.081 0.000 1.657 15 N HN -0.107 nan 8.380 nan 0.000 0.527 16 L N -0.568 120.680 121.223 0.043 0.000 2.362 16 L HA 0.258 4.617 4.340 0.032 0.000 0.219 16 L C 1.061 177.998 176.870 0.112 0.000 1.134 16 L CA 1.231 56.131 54.840 0.100 0.000 0.807 16 L CB -0.728 41.374 42.059 0.072 0.000 0.927 16 L HN 0.661 nan 8.230 nan 0.000 0.447 17 L N -1.205 120.081 121.223 0.104 0.000 2.509 17 L HA 0.072 4.431 4.340 0.032 0.000 0.222 17 L C 0.628 177.610 176.870 0.187 0.000 1.123 17 L CA 0.558 55.496 54.840 0.163 0.000 0.856 17 L CB -0.687 41.475 42.059 0.173 0.000 0.985 17 L HN 0.137 nan 8.230 nan 0.000 0.456 18 D N 0.313 120.779 120.400 0.109 0.000 2.545 18 D HA 0.181 4.840 4.640 0.032 0.000 0.227 18 D C 0.072 176.479 176.300 0.178 0.000 1.150 18 D CA 0.387 54.455 54.000 0.113 0.000 1.046 18 D CB -0.002 40.764 40.800 -0.057 0.000 1.098 18 D HN 0.089 nan 8.370 nan 0.000 0.502 19 T N 0.982 115.673 114.554 0.228 0.000 2.677 19 T HA 0.157 4.526 4.350 0.032 0.000 0.305 19 T C -1.715 173.155 174.700 0.284 0.000 1.569 19 T CA -0.846 61.401 62.100 0.244 0.000 0.984 19 T CB 0.855 69.856 68.868 0.223 0.000 1.629 19 T HN -0.080 nan 8.240 nan 0.000 0.494 20 D N 1.713 122.293 120.400 0.300 0.000 2.312 20 D HA 0.264 4.923 4.640 0.032 0.000 0.252 20 D C 0.875 177.428 176.300 0.420 0.000 1.150 20 D CA -0.199 53.993 54.000 0.320 0.000 0.870 20 D CB 0.895 41.852 40.800 0.262 0.000 1.153 20 D HN 0.515 nan 8.370 nan 0.000 0.457 21 F N 2.503 122.583 119.950 0.217 0.000 2.115 21 F HA -0.344 4.203 4.527 0.034 0.000 0.300 21 F C 2.051 178.030 175.800 0.298 0.000 1.092 21 F CA 1.381 59.520 58.000 0.231 0.000 1.245 21 F CB -0.066 39.045 39.000 0.185 0.000 0.995 21 F HN 0.596 nan 8.300 nan 0.000 0.481 22 Y N -1.139 119.145 120.300 -0.026 0.000 2.574 22 Y HA -0.039 4.532 4.550 0.034 0.000 0.294 22 Y C 1.843 177.687 175.900 -0.094 0.000 1.142 22 Y CA -0.045 57.964 58.100 -0.152 0.000 1.314 22 Y CB -0.517 37.870 38.460 -0.121 0.000 0.991 22 Y HN -0.108 nan 8.280 nan 0.000 0.555 23 K N 0.752 121.223 120.400 0.119 0.000 2.155 23 K HA -0.049 4.290 4.320 0.032 0.000 0.203 23 K C 1.793 178.368 176.600 -0.042 0.000 1.052 23 K CA 0.568 56.821 56.287 -0.056 0.000 0.948 23 K CB -0.197 32.348 32.500 0.075 0.000 0.728 23 K HN 0.359 nan 8.250 nan 0.000 0.448 24 L N 1.039 122.259 121.223 -0.005 0.000 2.044 24 L HA -0.132 4.228 4.340 0.032 0.000 0.205 24 L C 2.556 179.326 176.870 -0.167 0.000 1.075 24 L CA 2.094 56.954 54.840 0.034 0.000 0.747 24 L CB -1.506 40.625 42.059 0.121 0.000 0.903 24 L HN 0.315 nan 8.230 nan 0.000 0.435 25 T N -3.344 111.022 114.554 -0.314 0.000 2.746 25 T HA -0.303 4.066 4.350 0.032 0.000 0.267 25 T C 1.915 176.515 174.700 -0.167 0.000 1.039 25 T CA 1.678 63.596 62.100 -0.303 0.000 1.142 25 T CB -0.516 68.112 68.868 -0.400 0.000 0.866 25 T HN 0.283 nan 8.240 nan 0.000 0.444 26 M N 0.275 119.821 119.600 -0.089 0.000 2.132 26 M HA 0.077 4.576 4.480 0.032 0.000 0.263 26 M C 2.500 178.657 176.300 -0.238 0.000 1.065 26 M CA 1.723 56.978 55.300 -0.076 0.000 1.122 26 M CB -0.316 32.237 32.600 -0.078 0.000 1.365 26 M HN 0.349 nan 8.290 nan 0.000 0.411 27 M N 0.002 119.445 119.600 -0.261 0.000 2.108 27 M HA -0.306 4.194 4.480 0.032 0.000 0.261 27 M C 2.165 178.171 176.300 -0.490 0.000 1.066 27 M CA 2.218 57.335 55.300 -0.305 0.000 1.107 27 M CB -0.326 32.211 32.600 -0.106 0.000 1.356 27 M HN 0.499 nan 8.290 nan 0.000 0.406 28 Q N -0.105 119.177 119.800 -0.863 0.000 2.119 28 Q HA -0.148 4.211 4.340 0.032 0.000 0.201 28 Q C 1.848 177.340 176.000 -0.846 0.000 0.972 28 Q CA 1.721 56.744 55.803 -1.300 0.000 0.847 28 Q CB -0.224 27.485 28.738 -1.714 0.000 0.903 28 Q HN 0.653 nan 8.270 nan 0.000 0.433 29 A N 0.041 122.520 122.820 -0.569 0.000 1.933 29 A HA -0.110 4.229 4.320 0.032 0.000 0.218 29 A C 2.173 179.701 177.584 -0.093 0.000 1.175 29 A CA 1.461 53.273 52.037 -0.375 0.000 0.628 29 A CB -0.569 18.155 19.000 -0.461 0.000 0.814 29 A HN 0.312 nan 8.150 nan 0.000 0.444 30 V N -0.060 119.754 119.914 -0.167 0.000 2.379 30 V HA -0.180 3.959 4.120 0.032 0.000 0.245 30 V C 2.425 178.427 176.094 -0.153 0.000 1.044 30 V CA 1.565 63.775 62.300 -0.151 0.000 1.036 30 V CB -0.587 30.878 31.823 -0.596 0.000 0.664 30 V HN 0.632 nan 8.190 nan 0.000 0.453 31 L N -0.396 120.647 121.223 -0.300 0.000 2.046 31 L HA -0.225 4.135 4.340 0.032 0.000 0.208 31 L C 2.482 179.295 176.870 -0.095 0.000 1.077 31 L CA 2.183 56.856 54.840 -0.278 0.000 0.747 31 L CB -0.545 41.266 42.059 -0.412 0.000 0.896 31 L HN 0.477 nan 8.230 nan 0.000 0.432 32 H N -0.967 117.984 119.070 -0.198 0.000 2.428 32 H HA -0.040 4.535 4.556 0.032 0.000 0.296 32 H C 1.512 176.728 175.328 -0.187 0.000 1.062 32 H CA 1.145 57.084 56.048 -0.182 0.000 1.350 32 H CB 0.478 30.101 29.762 -0.232 0.000 1.403 32 H HN 0.477 nan 8.280 nan 0.000 0.533 33 N N -0.470 118.167 118.700 -0.106 0.000 2.460 33 N HA -0.016 4.743 4.740 0.032 0.000 0.193 33 N C -0.498 174.621 175.510 -0.651 0.000 1.080 33 N CA 0.500 53.305 53.050 -0.408 0.000 0.869 33 N CB 0.922 39.094 38.487 -0.525 0.000 1.201 33 N HN 0.308 nan 8.380 nan 0.000 0.457 34 Y N 0.790 121.149 120.300 0.099 0.000 2.558 34 Y HA 0.312 4.881 4.550 0.032 0.000 0.316 34 Y C -1.836 174.125 175.900 0.102 0.000 0.967 34 Y CA -1.404 56.765 58.100 0.116 0.000 1.126 34 Y CB 1.145 39.722 38.460 0.195 0.000 1.155 34 Y HN -0.028 nan 8.280 nan 0.000 0.628 35 P HA -0.216 nan 4.420 nan 0.000 0.216 35 P C 0.277 177.678 177.300 0.168 0.000 1.150 35 P CA 1.897 65.056 63.100 0.098 0.000 0.837 35 P CB 0.238 31.973 31.700 0.057 0.000 0.786 36 N N -1.154 117.656 118.700 0.183 0.000 2.270 36 N HA 0.263 5.022 4.740 0.032 0.000 0.198 36 N C 0.517 176.141 175.510 0.189 0.000 1.117 36 N CA -0.441 52.717 53.050 0.179 0.000 0.845 36 N CB 0.047 38.617 38.487 0.139 0.000 0.980 36 N HN -0.024 nan 8.380 nan 0.000 0.486 37 A N 1.029 124.000 122.820 0.251 0.000 2.445 37 A HA 0.085 4.424 4.320 0.032 0.000 0.242 37 A C 0.176 177.881 177.584 0.201 0.000 1.075 37 A CA -0.059 52.112 52.037 0.224 0.000 0.777 37 A CB 0.411 19.615 19.000 0.340 0.000 1.013 37 A HN 0.437 nan 8.150 nan 0.000 0.493 38 E N 0.610 120.853 120.200 0.071 0.000 2.238 38 E HA 0.594 4.963 4.350 0.032 0.000 0.267 38 E C -1.229 175.318 176.600 -0.088 0.000 0.887 38 E CA -0.541 55.878 56.400 0.031 0.000 0.769 38 E CB 1.840 31.535 29.700 -0.008 0.000 1.187 38 E HN 0.801 nan 8.360 nan 0.000 0.416 39 V N -0.025 119.849 119.914 -0.067 0.000 3.159 39 V HA 0.693 4.832 4.120 0.032 0.000 0.308 39 V C -1.014 175.030 176.094 -0.084 0.000 1.190 39 V CA -0.856 61.314 62.300 -0.216 0.000 1.037 39 V CB 1.967 33.558 31.823 -0.387 0.000 1.060 39 V HN 0.740 nan 8.190 nan 0.000 0.437 40 E N 1.050 121.120 120.200 -0.217 0.000 2.272 40 E HA 0.645 5.015 4.350 0.032 0.000 0.269 40 E C -1.991 174.517 176.600 -0.154 0.000 0.877 40 E CA -0.280 56.082 56.400 -0.063 0.000 0.755 40 E CB 2.353 31.994 29.700 -0.097 0.000 1.192 40 E HN 0.723 nan 8.360 nan 0.000 0.422 41 W N 1.223 122.518 121.300 -0.008 0.000 2.975 41 W HA 0.414 5.093 4.660 0.031 0.000 0.342 41 W C -0.613 175.933 176.519 0.045 0.000 1.168 41 W CA -0.648 56.711 57.345 0.023 0.000 1.141 41 W CB 1.273 30.776 29.460 0.071 0.000 1.445 41 W HN 0.363 nan 8.180 nan 0.000 0.560 42 E N 0.934 121.335 120.200 0.334 0.000 2.304 42 E HA 0.404 4.773 4.350 0.032 0.000 0.277 42 E C -1.634 175.132 176.600 0.278 0.000 0.898 42 E CA -0.960 55.594 56.400 0.256 0.000 0.764 42 E CB 1.955 31.746 29.700 0.152 0.000 1.216 42 E HN 0.296 nan 8.360 nan 0.000 0.419 43 F N 3.104 123.156 119.950 0.170 0.000 2.506 43 F HA 0.370 4.916 4.527 0.032 0.000 0.351 43 F C -0.009 175.891 175.800 0.168 0.000 1.136 43 F CA 0.141 58.249 58.000 0.182 0.000 1.298 43 F CB 0.816 39.947 39.000 0.218 0.000 1.145 43 F HN 0.561 nan 8.300 nan 0.000 0.593 44 R N 5.461 125.491 120.500 -0.782 0.000 2.548 44 R HA 0.411 4.770 4.340 0.032 0.000 0.280 44 R C -2.079 173.806 176.300 -0.693 0.000 1.061 44 R CA -0.772 55.037 56.100 -0.486 0.000 0.915 44 R CB 1.305 31.500 30.300 -0.174 0.000 1.210 44 R HN 0.900 nan 8.270 nan 0.000 0.442 45 C N 4.860 123.980 119.300 -0.301 0.000 2.251 45 C HA 0.467 4.946 4.460 0.032 0.000 0.323 45 C C 0.980 175.956 174.990 -0.023 0.000 1.241 45 C CA -0.639 58.316 59.018 -0.104 0.000 1.601 45 C CB 0.212 28.058 27.740 0.178 0.000 2.251 45 C HN 0.968 nan 8.230 nan 0.000 0.488 46 R N 2.827 123.304 120.500 -0.038 0.000 2.323 46 R HA 0.079 4.438 4.340 0.032 0.000 0.198 46 R C 1.796 178.107 176.300 0.018 0.000 0.988 46 R CA 0.577 56.671 56.100 -0.010 0.000 1.041 46 R CB -0.259 30.028 30.300 -0.021 0.000 0.926 46 R HN 0.693 nan 8.270 nan 0.000 0.476 47 N N 0.426 119.147 118.700 0.035 0.000 2.300 47 N HA -0.141 4.618 4.740 0.032 0.000 0.179 47 N C 0.396 175.940 175.510 0.056 0.000 1.016 47 N CA 0.693 53.773 53.050 0.049 0.000 0.876 47 N CB 0.206 38.734 38.487 0.067 0.000 0.979 47 N HN 0.240 nan 8.380 nan 0.000 0.432 48 Q N 0.514 120.356 119.800 0.071 0.000 2.466 48 Q HA -0.200 4.159 4.340 0.032 0.000 0.248 48 Q C -0.595 175.456 176.000 0.086 0.000 0.791 48 Q CA 0.444 56.294 55.803 0.078 0.000 1.225 48 Q CB -1.544 27.228 28.738 0.056 0.000 1.418 48 Q HN 0.492 nan 8.270 nan 0.000 0.662 49 E N 1.106 121.365 120.200 0.098 0.000 2.415 49 E HA -0.014 4.355 4.350 0.032 0.000 0.263 49 E C -0.379 176.283 176.600 0.104 0.000 0.995 49 E CA 0.024 56.482 56.400 0.098 0.000 0.915 49 E CB 0.512 30.281 29.700 0.116 0.000 0.951 49 E HN 0.198 nan 8.360 nan 0.000 0.449 50 D N 4.507 124.942 120.400 0.058 0.000 2.346 50 D HA 0.018 4.678 4.640 0.032 0.000 0.260 50 D C -0.075 176.194 176.300 -0.052 0.000 1.252 50 D CA -0.138 53.872 54.000 0.016 0.000 0.895 50 D CB 0.706 41.489 40.800 -0.027 0.000 1.097 50 D HN 0.362 nan 8.370 nan 0.000 0.489 51 L N 4.218 125.430 121.223 -0.019 0.000 2.728 51 L HA 0.260 4.620 4.340 0.032 0.000 0.238 51 L C 2.174 178.880 176.870 -0.273 0.000 1.143 51 L CA 0.046 54.805 54.840 -0.136 0.000 0.937 51 L CB -0.249 41.780 42.059 -0.050 0.000 1.225 51 L HN 0.324 nan 8.230 nan 0.000 0.507 52 R N -0.224 120.182 120.500 -0.158 0.000 2.091 52 R HA -0.097 4.262 4.340 0.032 0.000 0.238 52 R C 1.708 177.882 176.300 -0.209 0.000 1.136 52 R CA 1.280 57.324 56.100 -0.093 0.000 0.959 52 R CB -0.331 29.944 30.300 -0.043 0.000 0.856 52 R HN 0.298 nan 8.270 nan 0.000 0.437 53 L N -0.085 120.893 121.223 -0.408 0.000 2.551 53 L HA -0.113 4.246 4.340 0.032 0.000 0.228 53 L C 0.998 177.673 176.870 -0.326 0.000 1.153 53 L CA 0.563 55.176 54.840 -0.378 0.000 0.851 53 L CB -0.114 41.697 42.059 -0.414 0.000 0.959 53 L HN 0.214 nan 8.230 nan 0.000 0.451 54 Y N -1.749 118.451 120.300 -0.167 0.000 2.466 54 Y HA 0.015 4.585 4.550 0.033 0.000 0.272 54 Y C 1.796 177.567 175.900 -0.215 0.000 1.169 54 Y CA -0.681 57.286 58.100 -0.223 0.000 1.285 54 Y CB -0.291 37.978 38.460 -0.319 0.000 1.078 54 Y HN 0.031 nan 8.280 nan 0.000 0.523 55 L N 1.814 123.010 121.223 -0.044 0.000 1.990 55 L HA -0.116 4.243 4.340 0.032 0.000 0.213 55 L C -0.735 176.131 176.870 -0.007 0.000 1.072 55 L CA 2.155 57.000 54.840 0.009 0.000 0.755 55 L CB -1.593 40.494 42.059 0.047 0.000 0.889 55 L HN 0.008 nan 8.230 nan 0.000 0.432 56 P HA -0.177 nan 4.420 nan 0.000 0.215 56 P C 1.566 178.849 177.300 -0.029 0.000 1.157 56 P CA 2.212 65.299 63.100 -0.021 0.000 0.874 56 P CB -0.206 31.479 31.700 -0.024 0.000 0.790 57 A N -0.874 121.924 122.820 -0.037 0.000 1.898 57 A HA -0.169 4.170 4.320 0.032 0.000 0.216 57 A C 2.236 179.780 177.584 -0.068 0.000 1.181 57 A CA 1.386 53.386 52.037 -0.062 0.000 0.620 57 A CB -1.617 17.332 19.000 -0.085 0.000 0.819 57 A HN 0.084 nan 8.150 nan 0.000 0.442 58 I N -0.778 119.748 120.570 -0.073 0.000 2.163 58 I HA -0.321 3.869 4.170 0.032 0.000 0.243 58 I C 2.805 178.907 176.117 -0.025 0.000 1.085 58 I CA 1.653 62.909 61.300 -0.074 0.000 1.347 58 I CB -0.381 37.557 38.000 -0.104 0.000 1.044 58 I HN 0.315 nan 8.210 nan 0.000 0.408 59 R N 0.179 120.672 120.500 -0.012 0.000 2.105 59 R HA -0.195 4.164 4.340 0.032 0.000 0.239 59 R C 2.309 178.610 176.300 0.002 0.000 1.135 59 R CA 1.216 57.313 56.100 -0.005 0.000 0.967 59 R CB -0.330 29.964 30.300 -0.010 0.000 0.861 59 R HN 0.363 nan 8.270 nan 0.000 0.442 60 E N 0.644 120.840 120.200 -0.008 0.000 2.106 60 E HA -0.188 4.181 4.350 0.032 0.000 0.192 60 E C 1.802 178.418 176.600 0.026 0.000 0.984 60 E CA 1.195 57.596 56.400 0.001 0.000 0.806 60 E CB 0.233 29.920 29.700 -0.021 0.000 0.750 60 E HN 0.270 nan 8.360 nan 0.000 0.458 61 Q N -0.037 119.767 119.800 0.005 0.000 2.123 61 Q HA -0.062 4.298 4.340 0.032 0.000 0.199 61 Q C 2.234 178.291 176.000 0.096 0.000 0.966 61 Q CA 0.372 56.197 55.803 0.037 0.000 0.845 61 Q CB -0.160 28.561 28.738 -0.027 0.000 0.907 61 Q HN 0.298 nan 8.270 nan 0.000 0.439 62 L N 0.991 122.245 121.223 0.051 0.000 2.083 62 L HA -0.169 4.190 4.340 0.032 0.000 0.209 62 L C 2.074 178.979 176.870 0.059 0.000 1.083 62 L CA 1.652 56.525 54.840 0.054 0.000 0.752 62 L CB -0.914 41.175 42.059 0.049 0.000 0.899 62 L HN 0.321 nan 8.230 nan 0.000 0.433 63 E N -1.217 119.020 120.200 0.062 0.000 2.072 63 E HA -0.274 4.095 4.350 0.032 0.000 0.191 63 E C 2.079 178.717 176.600 0.063 0.000 0.985 63 E CA 1.251 57.683 56.400 0.053 0.000 0.801 63 E CB -0.304 29.423 29.700 0.046 0.000 0.750 63 E HN 0.426 nan 8.360 nan 0.000 0.452 64 Y N 1.752 122.037 120.300 -0.025 0.000 2.114 64 Y HA -0.262 4.307 4.550 0.032 0.000 0.282 64 Y C 1.911 177.797 175.900 -0.023 0.000 1.165 64 Y CA 1.517 59.600 58.100 -0.028 0.000 1.148 64 Y CB -0.303 38.133 38.460 -0.041 0.000 0.972 64 Y HN -0.047 nan 8.280 nan 0.000 0.504 65 L N -0.124 121.041 121.223 -0.096 0.000 2.046 65 L HA -0.228 4.131 4.340 0.032 0.000 0.208 65 L C 2.763 179.588 176.870 -0.075 0.000 1.077 65 L CA 1.261 55.966 54.840 -0.225 0.000 0.747 65 L CB -1.044 40.789 42.059 -0.376 0.000 0.896 65 L HN 0.380 nan 8.230 nan 0.000 0.432 66 A N -0.074 122.735 122.820 -0.019 0.000 2.125 66 A HA -0.083 4.256 4.320 0.032 0.000 0.219 66 A C 2.186 179.747 177.584 -0.037 0.000 1.156 66 A CA 1.513 53.571 52.037 0.036 0.000 0.671 66 A CB -0.806 18.217 19.000 0.039 0.000 0.794 66 A HN 0.482 nan 8.150 nan 0.000 0.459 67 G N -1.363 107.377 108.800 -0.099 0.000 2.838 67 G HA2 0.355 4.335 3.960 0.032 0.000 0.210 67 G HA3 0.355 4.335 3.960 0.032 0.000 0.210 67 G C 0.298 175.100 174.900 -0.163 0.000 1.153 67 G CA -0.238 44.788 45.100 -0.123 0.000 0.778 67 G HN 0.290 nan 8.290 nan 0.000 0.539 68 L N 1.587 122.696 121.223 -0.190 0.000 2.453 68 L HA 0.552 4.912 4.340 0.032 0.000 0.272 68 L C 0.350 177.165 176.870 -0.092 0.000 1.182 68 L CA -0.274 54.469 54.840 -0.161 0.000 0.858 68 L CB 1.156 43.150 42.059 -0.109 0.000 1.120 68 L HN 0.104 nan 8.230 nan 0.000 0.474 69 A N 5.158 127.927 122.820 -0.085 0.000 2.402 69 A HA 0.465 4.804 4.320 0.032 0.000 0.291 69 A C -0.467 177.088 177.584 -0.048 0.000 1.051 69 A CA -0.606 51.385 52.037 -0.076 0.000 0.716 69 A CB 0.648 19.597 19.000 -0.084 0.000 1.223 69 A HN 0.666 nan 8.150 nan 0.000 0.425 70 I N 3.044 123.594 120.570 -0.032 0.000 2.752 70 I HA 0.094 4.284 4.170 0.032 0.000 0.289 70 I C 1.065 177.171 176.117 -0.017 0.000 1.197 70 I CA 0.452 61.742 61.300 -0.015 0.000 1.432 70 I CB 0.825 38.817 38.000 -0.013 0.000 1.359 70 I HN 0.810 nan 8.210 nan 0.000 0.571 71 S N 4.590 120.287 115.700 -0.004 0.000 2.617 71 S HA 0.168 4.658 4.470 0.032 0.000 0.269 71 S C 0.744 175.347 174.600 0.006 0.000 1.292 71 S CA -0.728 57.471 58.200 -0.002 0.000 1.010 71 S CB 1.409 64.612 63.200 0.004 0.000 0.944 71 S HN 0.664 nan 8.310 nan 0.000 0.536 72 D N 1.216 121.618 120.400 0.003 0.000 2.149 72 D HA -0.142 4.517 4.640 0.032 0.000 0.198 72 D C 2.083 178.398 176.300 0.024 0.000 0.990 72 D CA 1.620 55.625 54.000 0.008 0.000 0.839 72 D CB -0.201 40.601 40.800 0.004 0.000 0.948 72 D HN 0.884 nan 8.370 nan 0.000 0.460 73 E N 1.005 121.222 120.200 0.028 0.000 2.208 73 E HA -0.183 4.186 4.350 0.032 0.000 0.193 73 E C 1.710 178.353 176.600 0.072 0.000 0.988 73 E CA 0.764 57.191 56.400 0.044 0.000 0.828 73 E CB -0.445 29.273 29.700 0.031 0.000 0.763 73 E HN 0.360 nan 8.360 nan 0.000 0.478 74 Q N 0.140 119.978 119.800 0.064 0.000 2.123 74 Q HA -0.007 4.352 4.340 0.032 0.000 0.199 74 Q C 2.254 178.336 176.000 0.137 0.000 0.966 74 Q CA 0.946 56.806 55.803 0.095 0.000 0.845 74 Q CB -0.062 28.716 28.738 0.067 0.000 0.907 74 Q HN 0.172 nan 8.270 nan 0.000 0.439 75 L N 0.565 121.833 121.223 0.075 0.000 2.093 75 L HA -0.056 4.303 4.340 0.032 0.000 0.208 75 L C 2.100 179.003 176.870 0.055 0.000 1.085 75 L CA 1.687 56.555 54.840 0.047 0.000 0.755 75 L CB -0.626 41.435 42.059 0.003 0.000 0.904 75 L HN 0.130 nan 8.230 nan 0.000 0.435 76 A N -1.080 121.780 122.820 0.067 0.000 1.972 76 A HA -0.260 4.079 4.320 0.032 0.000 0.219 76 A C 2.220 179.847 177.584 0.072 0.000 1.169 76 A CA 1.740 53.810 52.037 0.054 0.000 0.635 76 A CB -1.054 17.979 19.000 0.055 0.000 0.810 76 A HN 0.536 nan 8.150 nan 0.000 0.446 77 F N 0.115 120.058 119.950 -0.011 0.000 2.113 77 F HA -0.109 4.435 4.527 0.029 0.000 0.297 77 F C 1.761 177.550 175.800 -0.019 0.000 1.103 77 F CA 1.453 59.444 58.000 -0.016 0.000 1.248 77 F CB -0.307 38.687 39.000 -0.009 0.000 0.999 77 F HN 0.141 nan 8.300 nan 0.000 0.475 78 L N 0.939 122.140 121.223 -0.037 0.000 2.083 78 L HA -0.187 4.173 4.340 0.032 0.000 0.209 78 L C 2.443 179.226 176.870 -0.145 0.000 1.083 78 L CA 1.893 56.671 54.840 -0.103 0.000 0.752 78 L CB -1.405 40.696 42.059 0.069 0.000 0.899 78 L HN 0.332 nan 8.230 nan 0.000 0.433 79 E N -0.602 119.544 120.200 -0.089 0.000 2.209 79 E HA -0.220 4.149 4.350 0.032 0.000 0.196 79 E C 2.113 178.641 176.600 -0.119 0.000 0.993 79 E CA 0.812 57.168 56.400 -0.074 0.000 0.819 79 E CB 0.087 29.765 29.700 -0.038 0.000 0.745 79 E HN 0.397 nan 8.360 nan 0.000 0.477 80 R N 0.000 120.390 120.500 -0.184 0.000 2.276 80 R HA 0.086 4.446 4.340 0.032 0.000 0.203 80 R C 0.365 176.512 176.300 -0.256 0.000 1.017 80 R CA 0.163 56.145 56.100 -0.196 0.000 1.010 80 R CB 0.027 30.203 30.300 -0.207 0.000 0.900 80 R HN 0.205 nan 8.270 nan 0.000 0.469 81 I N 2.550 122.917 120.570 -0.339 0.000 2.421 81 I HA 0.047 4.237 4.170 0.032 0.000 0.291 81 I C -1.513 174.348 176.117 -0.427 0.000 1.089 81 I CA -1.901 59.121 61.300 -0.462 0.000 1.354 81 I CB 1.123 38.784 38.000 -0.565 0.000 1.413 81 I HN -0.194 nan 8.210 nan 0.000 0.513 82 P HA -0.255 nan 4.420 nan 0.000 0.217 82 P C 1.202 178.472 177.300 -0.051 0.000 1.162 82 P CA 1.825 64.849 63.100 -0.126 0.000 0.901 82 P CB -0.051 31.649 31.700 -0.001 0.000 0.793 83 F N -2.521 117.465 119.950 0.060 0.000 2.816 83 F HA 0.202 4.746 4.527 0.029 0.000 0.302 83 F C 0.451 176.323 175.800 0.120 0.000 1.178 83 F CA -0.206 57.849 58.000 0.092 0.000 1.421 83 F CB -1.250 37.809 39.000 0.099 0.000 1.114 83 F HN -0.217 nan 8.300 nan 0.000 0.573 84 L N 2.124 123.341 121.223 -0.010 0.000 2.264 84 L HA 0.605 4.965 4.340 0.032 0.000 0.287 84 L C 0.543 177.505 176.870 0.153 0.000 1.039 84 L CA -0.994 53.924 54.840 0.129 0.000 0.829 84 L CB 0.799 42.932 42.059 0.124 0.000 1.211 84 L HN 0.216 nan 8.230 nan 0.000 0.427 85 A N 5.537 128.479 122.820 0.204 0.000 2.406 85 A HA 0.344 4.683 4.320 0.032 0.000 0.243 85 A C -1.591 176.110 177.584 0.195 0.000 1.082 85 A CA -0.957 51.193 52.037 0.189 0.000 0.786 85 A CB 0.103 19.250 19.000 0.245 0.000 1.029 85 A HN 0.563 nan 8.150 nan 0.000 0.495 86 P HA -0.190 nan 4.420 nan 0.000 0.215 86 P C 0.996 178.371 177.300 0.125 0.000 1.153 86 P CA 1.636 64.794 63.100 0.097 0.000 0.853 86 P CB -0.001 31.736 31.700 0.062 0.000 0.788 87 D N -0.984 119.515 120.400 0.167 0.000 2.178 87 D HA -0.209 4.451 4.640 0.032 0.000 0.201 87 D C 1.865 178.315 176.300 0.251 0.000 0.980 87 D CA 1.027 55.141 54.000 0.190 0.000 0.842 87 D CB -1.100 39.816 40.800 0.193 0.000 0.948 87 D HN 0.146 nan 8.370 nan 0.000 0.472 88 F N 1.567 121.574 119.950 0.095 0.000 2.163 88 F HA -0.013 4.533 4.527 0.031 0.000 0.297 88 F C 2.195 178.049 175.800 0.090 0.000 1.094 88 F CA 0.512 58.534 58.000 0.036 0.000 1.290 88 F CB -0.172 38.777 39.000 -0.085 0.000 1.017 88 F HN -0.197 nan 8.300 nan 0.000 0.483 89 I N 0.519 121.066 120.570 -0.038 0.000 2.286 89 I HA -0.240 3.950 4.170 0.032 0.000 0.248 89 I C 2.468 178.524 176.117 -0.103 0.000 1.115 89 I CA 1.236 62.450 61.300 -0.144 0.000 1.392 89 I CB -1.238 36.746 38.000 -0.026 0.000 1.065 89 I HN 0.156 nan 8.210 nan 0.000 0.418 90 R N 0.952 121.449 120.500 -0.006 0.000 2.090 90 R HA -0.171 4.188 4.340 0.032 0.000 0.228 90 R C 2.239 178.542 176.300 0.006 0.000 1.110 90 R CA 1.294 57.399 56.100 0.009 0.000 0.973 90 R CB -1.135 29.196 30.300 0.051 0.000 0.869 90 R HN 0.225 nan 8.270 nan 0.000 0.440 91 F N 0.424 120.323 119.950 -0.084 0.000 2.134 91 F HA -0.111 4.435 4.527 0.032 0.000 0.299 91 F C 1.650 177.383 175.800 -0.111 0.000 1.097 91 F CA 1.584 59.546 58.000 -0.064 0.000 1.264 91 F CB -0.188 38.785 39.000 -0.045 0.000 1.001 91 F HN 0.011 nan 8.300 nan 0.000 0.479 92 L N -0.323 120.802 121.223 -0.162 0.000 2.083 92 L HA -0.151 4.208 4.340 0.032 0.000 0.209 92 L C 2.786 179.560 176.870 -0.160 0.000 1.083 92 L CA 1.276 55.979 54.840 -0.228 0.000 0.752 92 L CB -1.606 40.230 42.059 -0.371 0.000 0.899 92 L HN 0.328 nan 8.230 nan 0.000 0.433 93 G N 0.071 108.787 108.800 -0.141 0.000 2.450 93 G HA2 -0.201 3.779 3.960 0.032 0.000 0.220 93 G HA3 -0.201 3.779 3.960 0.032 0.000 0.220 93 G C 1.539 176.366 174.900 -0.121 0.000 1.130 93 G CA 0.581 45.619 45.100 -0.102 0.000 0.760 93 G HN 0.305 nan 8.290 nan 0.000 0.557 94 L N -0.912 120.204 121.223 -0.178 0.000 2.554 94 L HA 0.363 4.722 4.340 0.032 0.000 0.225 94 L C 0.864 177.568 176.870 -0.278 0.000 1.104 94 L CA -0.739 53.975 54.840 -0.209 0.000 0.866 94 L CB -0.007 41.927 42.059 -0.209 0.000 1.047 94 L HN 0.131 nan 8.230 nan 0.000 0.468 95 F N 2.394 122.062 119.950 -0.470 0.000 2.563 95 F HA 0.208 4.754 4.527 0.033 0.000 0.363 95 F C 0.416 176.024 175.800 -0.320 0.000 1.123 95 F CA 0.110 57.830 58.000 -0.467 0.000 1.307 95 F CB 0.301 39.008 39.000 -0.489 0.000 1.115 95 F HN -0.094 nan 8.300 nan 0.000 0.592 96 R N 5.684 125.321 120.500 -1.437 0.000 2.564 96 R HA 0.242 4.601 4.340 0.032 0.000 0.284 96 R C -1.472 174.019 176.300 -1.348 0.000 1.031 96 R CA -0.964 54.522 56.100 -1.022 0.000 0.904 96 R CB 1.107 31.116 30.300 -0.485 0.000 1.199 96 R HN 0.547 nan 8.270 nan 0.000 0.443 97 F N 1.578 121.069 119.950 -0.765 0.000 2.572 97 F HA 0.071 4.617 4.527 0.031 0.000 0.370 97 F C 1.436 177.142 175.800 -0.158 0.000 1.103 97 F CA 0.392 58.150 58.000 -0.404 0.000 1.286 97 F CB 0.384 39.196 39.000 -0.314 0.000 1.105 97 F HN 0.220 nan 8.300 nan 0.000 0.583 98 N N 5.808 124.660 118.700 0.253 0.000 2.485 98 N HA 0.236 4.995 4.740 0.032 0.000 0.243 98 N C -1.768 173.801 175.510 0.100 0.000 0.987 98 N CA -2.445 50.602 53.050 -0.004 0.000 0.940 98 N CB 1.168 39.391 38.487 -0.440 0.000 1.122 98 N HN 0.141 nan 8.380 nan 0.000 0.509 99 P HA -0.139 nan 4.420 nan 0.000 0.221 99 P C 0.723 178.013 177.300 -0.017 0.000 1.145 99 P CA 0.930 64.071 63.100 0.069 0.000 0.795 99 P CB 0.463 32.184 31.700 0.036 0.000 0.775 100 R N -1.319 119.103 120.500 -0.130 0.000 2.237 100 R HA -0.090 4.269 4.340 0.032 0.000 0.219 100 R C 1.684 177.993 176.300 0.014 0.000 1.080 100 R CA 0.978 57.011 56.100 -0.111 0.000 0.995 100 R CB -0.547 29.640 30.300 -0.189 0.000 0.875 100 R HN 0.317 nan 8.270 nan 0.000 0.462 101 Y N -0.204 120.139 120.300 0.072 0.000 2.490 101 Y HA 0.125 4.694 4.550 0.032 0.000 0.281 101 Y C 0.767 176.606 175.900 -0.102 0.000 1.174 101 Y CA -0.603 57.520 58.100 0.038 0.000 1.295 101 Y CB 0.202 38.750 38.460 0.147 0.000 1.062 101 Y HN -0.292 nan 8.280 nan 0.000 0.522 102 V N 1.283 121.187 119.914 -0.017 0.000 2.581 102 V HA 0.409 4.548 4.120 0.032 0.000 0.303 102 V C -0.334 175.743 176.094 -0.028 0.000 1.041 102 V CA -1.107 61.119 62.300 -0.123 0.000 0.907 102 V CB 2.206 33.883 31.823 -0.242 0.000 0.994 102 V HN -0.003 nan 8.190 nan 0.000 0.442 103 Q N 2.132 121.931 119.800 -0.002 0.000 2.290 103 Q HA 0.554 4.913 4.340 0.032 0.000 0.269 103 Q C -0.848 175.129 176.000 -0.039 0.000 1.016 103 Q CA -0.219 55.618 55.803 0.056 0.000 0.754 103 Q CB 2.554 31.394 28.738 0.171 0.000 1.247 103 Q HN 0.810 nan 8.270 nan 0.000 0.451 104 T N 0.490 114.886 114.554 -0.264 0.000 2.896 104 T HA 0.900 5.269 4.350 0.032 0.000 0.297 104 T C -0.474 173.655 174.700 -0.951 0.000 1.108 104 T CA 0.308 61.957 62.100 -0.750 0.000 1.004 104 T CB 1.848 70.469 68.868 -0.412 0.000 1.159 104 T HN 0.843 nan 8.240 nan 0.000 0.499 105 G N 1.535 109.455 108.800 -1.467 0.000 2.398 105 G HA2 0.314 4.293 3.960 0.032 0.000 0.251 105 G HA3 0.314 4.293 3.960 0.032 0.000 0.251 105 G C -1.924 172.564 174.900 -0.686 0.000 1.277 105 G CA -0.636 43.981 45.100 -0.805 0.000 0.927 105 G HN 0.826 nan 8.290 nan 0.000 0.477 106 I N 1.688 122.212 120.570 -0.076 0.000 2.411 106 I HA 0.423 4.612 4.170 0.032 0.000 0.284 106 I C -0.092 176.229 176.117 0.340 0.000 1.012 106 I CA -0.378 61.010 61.300 0.147 0.000 1.119 106 I CB 1.773 39.825 38.000 0.087 0.000 1.261 106 I HN 0.662 nan 8.210 nan 0.000 0.448 107 E N 6.477 126.946 120.200 0.447 0.000 2.232 107 E HA 0.241 4.610 4.350 0.032 0.000 0.264 107 E C -0.169 176.479 176.600 0.079 0.000 0.973 107 E CA -0.878 55.601 56.400 0.131 0.000 0.849 107 E CB 1.043 30.614 29.700 -0.215 0.000 1.198 107 E HN 0.601 nan 8.360 nan 0.000 0.407 108 N N 3.594 122.316 118.700 0.037 0.000 2.309 108 N HA -0.140 4.619 4.740 0.032 0.000 0.293 108 N C -0.877 174.661 175.510 0.048 0.000 1.327 108 N CA 0.680 53.749 53.050 0.030 0.000 1.054 108 N CB -0.209 38.282 38.487 0.007 0.000 1.474 108 N HN 0.581 nan 8.380 nan 0.000 0.486 109 D N -0.686 119.748 120.400 0.057 0.000 3.076 109 D HA -0.164 4.495 4.640 0.032 0.000 0.218 109 D C -0.798 175.551 176.300 0.082 0.000 1.156 109 D CA 1.084 55.118 54.000 0.056 0.000 0.921 109 D CB -1.129 39.694 40.800 0.039 0.000 1.113 109 D HN 0.799 nan 8.370 nan 0.000 0.418 110 E N -0.852 119.420 120.200 0.120 0.000 2.340 110 E HA 0.452 4.822 4.350 0.032 0.000 0.273 110 E C -0.401 176.341 176.600 0.237 0.000 0.891 110 E CA -0.993 55.511 56.400 0.173 0.000 0.757 110 E CB 1.848 31.650 29.700 0.171 0.000 1.231 110 E HN 0.008 nan 8.360 nan 0.000 0.439 111 F N 3.329 123.344 119.950 0.109 0.000 2.450 111 F HA 0.466 5.012 4.527 0.032 0.000 0.339 111 F C -0.804 175.103 175.800 0.179 0.000 1.146 111 F CA -0.239 57.788 58.000 0.045 0.000 1.267 111 F CB 0.373 39.350 39.000 -0.038 0.000 1.178 111 F HN 0.419 nan 8.300 nan 0.000 0.585 112 F N 4.709 124.001 119.950 -1.097 0.000 2.645 112 F HA 0.779 5.325 4.527 0.032 0.000 0.310 112 F C -2.353 172.843 175.800 -1.006 0.000 1.102 112 F CA -1.619 55.963 58.000 -0.698 0.000 0.952 112 F CB 1.400 40.236 39.000 -0.273 0.000 1.326 112 F HN 0.640 nan 8.300 nan 0.000 0.456 113 L N 2.700 123.802 121.223 -0.202 0.000 2.588 113 L HA 0.644 5.003 4.340 0.032 0.000 0.263 113 L C -1.596 175.376 176.870 0.170 0.000 0.935 113 L CA -0.394 54.358 54.840 -0.146 0.000 0.891 113 L CB 1.980 43.937 42.059 -0.170 0.000 1.318 113 L HN 0.923 nan 8.230 nan 0.000 0.409 114 R N 4.822 125.416 120.500 0.157 0.000 2.744 114 R HA 0.768 5.127 4.340 0.032 0.000 0.279 114 R C -1.630 174.726 176.300 0.094 0.000 0.977 114 R CA -0.877 55.320 56.100 0.162 0.000 0.906 114 R CB 2.487 32.879 30.300 0.154 0.000 1.197 114 R HN 0.499 nan 8.270 nan 0.000 0.463 115 L N 1.641 122.947 121.223 0.139 0.000 2.365 115 L HA 0.609 4.968 4.340 0.032 0.000 0.273 115 L C -0.554 176.427 176.870 0.186 0.000 1.000 115 L CA -0.747 54.152 54.840 0.099 0.000 0.819 115 L CB 2.004 44.095 42.059 0.053 0.000 1.284 115 L HN 0.491 nan 8.230 nan 0.000 0.418 116 K N 1.933 122.416 120.400 0.139 0.000 2.565 116 K HA 0.749 5.088 4.320 0.032 0.000 0.251 116 K C -0.889 175.703 176.600 -0.014 0.000 0.956 116 K CA -0.298 56.047 56.287 0.096 0.000 0.809 116 K CB 2.337 34.882 32.500 0.074 0.000 1.267 116 K HN 0.824 nan 8.250 nan 0.000 0.438 117 G N 2.819 111.549 108.800 -0.116 0.000 2.343 117 G HA2 0.141 4.121 3.960 0.032 0.000 0.289 117 G HA3 0.141 4.121 3.960 0.032 0.000 0.289 117 G C -3.242 171.544 174.900 -0.190 0.000 1.295 117 G CA -0.985 43.848 45.100 -0.445 0.000 0.869 117 G HN 0.337 nan 8.290 nan 0.000 0.522 118 P HA 0.066 nan 4.420 nan 0.000 0.264 118 P C 0.287 177.784 177.300 0.328 0.000 1.193 118 P CA -0.120 63.076 63.100 0.160 0.000 0.763 118 P CB 0.520 32.402 31.700 0.305 0.000 0.810 119 W N 5.189 126.578 121.300 0.149 0.000 2.304 119 W HA -0.206 4.473 4.660 0.032 0.000 0.315 119 W C 1.664 178.309 176.519 0.210 0.000 1.233 119 W CA 1.346 58.816 57.345 0.209 0.000 1.261 119 W CB -1.165 28.391 29.460 0.161 0.000 1.150 119 W HN 0.303 nan 8.180 nan 0.000 0.494 120 L N -0.287 121.092 121.223 0.260 0.000 2.043 120 L HA -0.292 4.067 4.340 0.032 0.000 0.212 120 L C 2.495 179.370 176.870 0.009 0.000 1.075 120 L CA 1.992 56.810 54.840 -0.037 0.000 0.752 120 L CB -0.805 41.163 42.059 -0.152 0.000 0.891 120 L HN 0.071 nan 8.230 nan 0.000 0.432 121 H N -2.144 117.141 119.070 0.359 0.000 2.551 121 H HA 0.066 4.641 4.556 0.033 0.000 0.266 121 H C 1.896 177.588 175.328 0.607 0.000 0.964 121 H CA 0.795 57.184 56.048 0.568 0.000 1.180 121 H CB 0.761 30.924 29.762 0.669 0.000 1.408 121 H HN 0.264 nan 8.280 nan 0.000 0.563 122 V N 0.585 120.850 119.914 0.585 0.000 3.621 122 V HA -0.042 4.097 4.120 0.032 0.000 0.263 122 V C 2.282 178.649 176.094 0.455 0.000 1.272 122 V CA 0.227 62.923 62.300 0.661 0.000 1.080 122 V CB 0.264 32.371 31.823 0.473 0.000 0.816 122 V HN 0.211 nan 8.190 nan 0.000 0.451 123 I N -0.029 120.747 120.570 0.344 0.000 2.208 123 I HA -0.263 3.927 4.170 0.032 0.000 0.245 123 I C 2.078 178.253 176.117 0.097 0.000 1.097 123 I CA 1.675 63.097 61.300 0.203 0.000 1.363 123 I CB 0.124 38.214 38.000 0.150 0.000 1.051 123 I HN 0.231 nan 8.210 nan 0.000 0.413 124 L N 0.023 121.296 121.223 0.084 0.000 2.456 124 L HA -0.134 4.225 4.340 0.032 0.000 0.224 124 L C 1.813 178.886 176.870 0.338 0.000 1.148 124 L CA 1.523 56.426 54.840 0.105 0.000 0.825 124 L CB -1.037 40.895 42.059 -0.212 0.000 0.937 124 L HN 0.200 nan 8.230 nan 0.000 0.450 125 F N -0.034 120.118 119.950 0.336 0.000 2.206 125 F HA -0.134 4.412 4.527 0.032 0.000 0.298 125 F C 2.193 177.994 175.800 0.002 0.000 1.090 125 F CA 0.862 58.961 58.000 0.166 0.000 1.323 125 F CB -0.283 38.783 39.000 0.109 0.000 1.028 125 F HN 0.190 nan 8.300 nan 0.000 0.492 126 E N 0.010 120.260 120.200 0.082 0.000 2.063 126 E HA -0.281 4.088 4.350 0.032 0.000 0.221 126 E C 2.260 178.920 176.600 0.100 0.000 1.052 126 E CA 2.236 58.624 56.400 -0.019 0.000 0.891 126 E CB -0.901 28.701 29.700 -0.163 0.000 0.792 126 E HN 0.160 nan 8.360 nan 0.000 0.482 127 V N 1.123 121.116 119.914 0.131 0.000 2.307 127 V HA -0.172 3.967 4.120 0.032 0.000 0.245 127 V C -0.880 175.306 176.094 0.154 0.000 1.045 127 V CA 2.063 64.463 62.300 0.166 0.000 1.024 127 V CB -1.362 30.584 31.823 0.205 0.000 0.651 127 V HN 0.184 nan 8.190 nan 0.000 0.449 128 P HA -0.136 nan 4.420 nan 0.000 0.216 128 P C 1.951 179.303 177.300 0.087 0.000 1.150 128 P CA 1.407 64.569 63.100 0.103 0.000 0.837 128 P CB -0.047 31.684 31.700 0.051 0.000 0.786 129 L N -1.679 119.609 121.223 0.108 0.000 2.046 129 L HA -0.170 4.189 4.340 0.032 0.000 0.208 129 L C 2.416 179.362 176.870 0.126 0.000 1.077 129 L CA 1.368 56.276 54.840 0.114 0.000 0.747 129 L CB -0.861 41.294 42.059 0.159 0.000 0.896 129 L HN 0.001 nan 8.230 nan 0.000 0.432 130 L N -0.583 120.738 121.223 0.163 0.000 2.027 130 L HA -0.149 4.211 4.340 0.032 0.000 0.206 130 L C 2.858 179.799 176.870 0.119 0.000 1.074 130 L CA 1.117 56.064 54.840 0.179 0.000 0.745 130 L CB -0.667 41.499 42.059 0.179 0.000 0.898 130 L HN 0.211 nan 8.230 nan 0.000 0.433 131 A N -0.471 122.416 122.820 0.113 0.000 1.972 131 A HA -0.236 4.104 4.320 0.032 0.000 0.219 131 A C 2.316 179.932 177.584 0.053 0.000 1.169 131 A CA 1.686 53.783 52.037 0.100 0.000 0.635 131 A CB -0.476 18.611 19.000 0.144 0.000 0.810 131 A HN 0.387 nan 8.150 nan 0.000 0.446 132 M N -0.260 119.360 119.600 0.034 0.000 2.156 132 M HA -0.022 4.478 4.480 0.032 0.000 0.264 132 M C 1.950 178.197 176.300 -0.088 0.000 1.067 132 M CA 1.648 56.933 55.300 -0.024 0.000 1.131 132 M CB -0.612 31.977 32.600 -0.019 0.000 1.368 132 M HN 0.423 nan 8.290 nan 0.000 0.416 133 I N -0.251 120.275 120.570 -0.074 0.000 2.226 133 I HA -0.279 3.910 4.170 0.032 0.000 0.245 133 I C 2.670 178.687 176.117 -0.167 0.000 1.100 133 I CA 1.396 62.602 61.300 -0.156 0.000 1.374 133 I CB -0.515 37.414 38.000 -0.118 0.000 1.057 133 I HN 0.383 nan 8.210 nan 0.000 0.413 134 S N 0.515 116.175 115.700 -0.067 0.000 2.353 134 S HA -0.311 4.178 4.470 0.032 0.000 0.222 134 S C 2.046 176.541 174.600 -0.175 0.000 1.035 134 S CA 2.199 60.352 58.200 -0.079 0.000 1.025 134 S CB -0.277 62.920 63.200 -0.005 0.000 0.902 134 S HN 0.492 nan 8.310 nan 0.000 0.440 135 E N 0.032 120.142 120.200 -0.149 0.000 2.106 135 E HA -0.116 4.254 4.350 0.032 0.000 0.192 135 E C 2.085 178.490 176.600 -0.326 0.000 0.984 135 E CA 1.497 57.783 56.400 -0.190 0.000 0.806 135 E CB -0.189 29.472 29.700 -0.064 0.000 0.750 135 E HN 0.584 nan 8.360 nan 0.000 0.458 136 V N -0.380 119.327 119.914 -0.344 0.000 2.343 136 V HA -0.228 3.911 4.120 0.032 0.000 0.247 136 V C 2.497 178.189 176.094 -0.670 0.000 1.051 136 V CA 2.092 64.124 62.300 -0.446 0.000 1.036 136 V CB -0.813 30.775 31.823 -0.392 0.000 0.654 136 V HN 0.206 nan 8.190 nan 0.000 0.451 137 R N 1.092 121.119 120.500 -0.789 0.000 2.073 137 R HA -0.178 4.182 4.340 0.032 0.000 0.234 137 R C 2.215 178.201 176.300 -0.522 0.000 1.134 137 R CA 2.371 57.889 56.100 -0.970 0.000 0.952 137 R CB -0.530 29.399 30.300 -0.618 0.000 0.850 137 R HN 0.738 nan 8.270 nan 0.000 0.433 138 N N -0.238 118.228 118.700 -0.390 0.000 2.244 138 N HA -0.119 4.640 4.740 0.032 0.000 0.183 138 N C 1.835 177.165 175.510 -0.301 0.000 1.016 138 N CA 0.886 53.778 53.050 -0.264 0.000 0.866 138 N CB -0.008 38.115 38.487 -0.607 0.000 0.980 138 N HN 0.218 nan 8.380 nan 0.000 0.430 139 R N 0.580 120.690 120.500 -0.649 0.000 2.092 139 R HA -0.006 4.353 4.340 0.032 0.000 0.231 139 R C 2.201 178.235 176.300 -0.445 0.000 1.119 139 R CA 1.202 56.734 56.100 -0.946 0.000 0.970 139 R CB -0.150 29.586 30.300 -0.939 0.000 0.864 139 R HN 0.214 nan 8.270 nan 0.000 0.440 140 A N 0.886 123.499 122.820 -0.346 0.000 1.874 140 A HA -0.051 4.288 4.320 0.032 0.000 0.214 140 A C 2.004 179.484 177.584 -0.174 0.000 1.189 140 A CA 0.809 52.737 52.037 -0.181 0.000 0.615 140 A CB -0.072 18.910 19.000 -0.031 0.000 0.830 140 A HN 0.053 nan 8.150 nan 0.000 0.443 141 R N -1.613 118.711 120.500 -0.293 0.000 2.119 141 R HA 0.022 4.381 4.340 0.032 0.000 0.222 141 R C -0.302 175.569 176.300 -0.715 0.000 1.088 141 R CA 0.840 56.606 56.100 -0.556 0.000 0.984 141 R CB -0.326 29.469 30.300 -0.840 0.000 0.884 141 R HN 0.621 nan 8.270 nan 0.000 0.447 142 Y N 0.536 120.920 120.300 0.141 0.000 2.470 142 Y HA 0.283 4.852 4.550 0.033 0.000 0.352 142 Y C -1.649 174.467 175.900 0.359 0.000 0.967 142 Y CA -2.683 55.579 58.100 0.269 0.000 1.121 142 Y CB 0.871 39.599 38.460 0.447 0.000 1.149 142 Y HN -0.019 nan 8.280 nan 0.000 0.641 143 P HA -0.178 nan 4.420 nan 0.000 0.221 143 P C 1.081 178.596 177.300 0.359 0.000 1.145 143 P CA 1.639 64.892 63.100 0.255 0.000 0.795 143 P CB 0.477 32.225 31.700 0.080 0.000 0.775 144 A N -0.702 122.294 122.820 0.294 0.000 2.308 144 A HA 0.489 4.828 4.320 0.032 0.000 0.217 144 A C 1.275 178.959 177.584 0.167 0.000 1.216 144 A CA 0.105 52.264 52.037 0.204 0.000 0.864 144 A CB -0.716 18.364 19.000 0.134 0.000 0.902 144 A HN 0.263 nan 8.150 nan 0.000 0.499 145 A N 0.820 123.781 122.820 0.236 0.000 2.561 145 A HA 0.452 4.791 4.320 0.032 0.000 0.234 145 A C 0.815 178.340 177.584 -0.099 0.000 1.055 145 A CA 0.938 52.995 52.037 0.032 0.000 0.756 145 A CB -0.312 18.724 19.000 0.059 0.000 0.986 145 A HN 0.893 nan 8.150 nan 0.000 0.505 146 T N -0.954 113.504 114.554 -0.160 0.000 2.924 146 T HA 0.473 4.842 4.350 0.032 0.000 0.291 146 T C 0.849 175.427 174.700 -0.203 0.000 1.045 146 T CA -0.207 61.803 62.100 -0.150 0.000 1.015 146 T CB 1.227 70.038 68.868 -0.094 0.000 1.103 146 T HN 0.445 nan 8.240 nan 0.000 0.496 147 V N 1.599 121.413 119.914 -0.167 0.000 2.407 147 V HA -0.120 4.019 4.120 0.032 0.000 0.248 147 V C 2.748 178.749 176.094 -0.156 0.000 1.055 147 V CA 1.789 63.990 62.300 -0.165 0.000 1.049 147 V CB -0.806 30.945 31.823 -0.120 0.000 0.662 147 V HN 0.877 nan 8.190 nan 0.000 0.455 148 E N 0.239 120.364 120.200 -0.125 0.000 2.085 148 E HA -0.288 4.082 4.350 0.032 0.000 0.194 148 E C 2.181 178.701 176.600 -0.134 0.000 0.994 148 E CA 1.443 57.776 56.400 -0.111 0.000 0.801 148 E CB -0.424 29.227 29.700 -0.083 0.000 0.743 148 E HN 0.712 nan 8.360 nan 0.000 0.453 149 Q N 0.414 120.120 119.800 -0.157 0.000 2.096 149 Q HA -0.101 4.258 4.340 0.032 0.000 0.204 149 Q C 2.207 178.082 176.000 -0.208 0.000 0.982 149 Q CA 1.629 57.326 55.803 -0.177 0.000 0.850 149 Q CB -0.234 28.378 28.738 -0.209 0.000 0.901 149 Q HN 0.303 nan 8.270 nan 0.000 0.422 150 A N 1.093 123.767 122.820 -0.243 0.000 1.897 150 A HA -0.148 4.191 4.320 0.032 0.000 0.215 150 A C 1.993 179.453 177.584 -0.207 0.000 1.181 150 A CA 1.067 52.958 52.037 -0.244 0.000 0.620 150 A CB -0.304 18.540 19.000 -0.261 0.000 0.821 150 A HN 0.179 nan 8.150 nan 0.000 0.443 151 R N -0.623 119.766 120.500 -0.185 0.000 2.096 151 R HA -0.157 4.203 4.340 0.032 0.000 0.235 151 R C 2.232 178.426 176.300 -0.177 0.000 1.127 151 R CA 1.514 57.506 56.100 -0.179 0.000 0.968 151 R CB -0.206 30.012 30.300 -0.136 0.000 0.861 151 R HN 0.653 nan 8.270 nan 0.000 0.440 152 E N 0.890 121.001 120.200 -0.148 0.000 2.051 152 E HA -0.180 4.189 4.350 0.032 0.000 0.192 152 E C 1.883 178.400 176.600 -0.138 0.000 0.991 152 E CA 1.435 57.761 56.400 -0.123 0.000 0.799 152 E CB 0.011 29.650 29.700 -0.103 0.000 0.748 152 E HN 0.022 nan 8.360 nan 0.000 0.449 153 R N 0.277 120.685 120.500 -0.153 0.000 2.073 153 R HA -0.078 4.281 4.340 0.032 0.000 0.234 153 R C 2.496 178.681 176.300 -0.192 0.000 1.134 153 R CA 1.152 57.165 56.100 -0.144 0.000 0.952 153 R CB -1.149 29.068 30.300 -0.138 0.000 0.850 153 R HN 0.358 nan 8.270 nan 0.000 0.433 154 L N 0.921 121.972 121.223 -0.286 0.000 2.012 154 L HA -0.264 4.096 4.340 0.032 0.000 0.210 154 L C 2.384 178.802 176.870 -0.753 0.000 1.073 154 L CA 1.770 56.289 54.840 -0.535 0.000 0.748 154 L CB -0.293 41.404 42.059 -0.605 0.000 0.891 154 L HN 0.168 nan 8.230 nan 0.000 0.431 155 Q N -0.061 119.455 119.800 -0.473 0.000 2.124 155 Q HA -0.248 4.111 4.340 0.032 0.000 0.202 155 Q C 2.021 177.968 176.000 -0.087 0.000 0.977 155 Q CA 1.610 57.256 55.803 -0.262 0.000 0.850 155 Q CB -0.205 28.470 28.738 -0.105 0.000 0.901 155 Q HN 0.352 nan 8.270 nan 0.000 0.429 156 E N 0.427 120.577 120.200 -0.083 0.000 2.110 156 E HA -0.191 4.178 4.350 0.032 0.000 0.193 156 E C 1.465 178.123 176.600 0.096 0.000 0.988 156 E CA 1.235 57.641 56.400 0.009 0.000 0.804 156 E CB 0.089 29.776 29.700 -0.021 0.000 0.745 156 E HN 0.386 nan 8.360 nan 0.000 0.458 157 K N -0.582 119.846 120.400 0.047 0.000 2.103 157 K HA -0.083 4.257 4.320 0.032 0.000 0.204 157 K C 2.164 179.040 176.600 0.460 0.000 1.052 157 K CA 0.976 57.391 56.287 0.214 0.000 0.945 157 K CB -0.195 32.403 32.500 0.163 0.000 0.722 157 K HN 0.085 nan 8.250 nan 0.000 0.443 158 F N 2.311 122.380 119.950 0.198 0.000 2.113 158 F HA -0.160 4.393 4.527 0.042 0.000 0.297 158 F C 1.953 177.812 175.800 0.099 0.000 1.103 158 F CA 0.998 59.086 58.000 0.148 0.000 1.248 158 F CB -0.907 38.136 39.000 0.071 0.000 0.999 158 F HN 0.033 nan 8.300 nan 0.000 0.475 159 D N -1.024 119.549 120.400 0.290 0.000 2.123 159 D HA -0.243 4.416 4.640 0.032 0.000 0.196 159 D C 2.071 178.455 176.300 0.141 0.000 0.992 159 D CA 1.138 55.234 54.000 0.160 0.000 0.833 159 D CB -0.785 40.088 40.800 0.120 0.000 0.954 159 D HN 0.436 nan 8.370 nan 0.000 0.455 160 W N 1.469 122.810 121.300 0.067 0.000 2.355 160 W HA -0.176 4.503 4.660 0.032 0.000 0.309 160 W C 2.104 178.643 176.519 0.033 0.000 1.206 160 W CA 0.949 58.319 57.345 0.042 0.000 1.284 160 W CB -0.560 28.926 29.460 0.044 0.000 1.145 160 W HN -0.021 nan 8.180 nan 0.000 0.502 161 L N 1.656 122.912 121.223 0.055 0.000 2.046 161 L HA -0.113 4.247 4.340 0.032 0.000 0.208 161 L C 2.679 179.351 176.870 -0.330 0.000 1.077 161 L CA 2.384 57.072 54.840 -0.254 0.000 0.747 161 L CB -1.182 40.973 42.059 0.160 0.000 0.896 161 L HN 0.102 nan 8.230 nan 0.000 0.432 162 R N -0.771 119.626 120.500 -0.171 0.000 2.105 162 R HA -0.145 4.214 4.340 0.032 0.000 0.239 162 R C 2.364 178.541 176.300 -0.206 0.000 1.135 162 R CA 1.643 57.641 56.100 -0.170 0.000 0.967 162 R CB -0.091 30.154 30.300 -0.091 0.000 0.861 162 R HN 0.398 nan 8.270 nan 0.000 0.442 163 R N -0.703 119.653 120.500 -0.241 0.000 2.119 163 R HA -0.078 4.282 4.340 0.032 0.000 0.222 163 R C 2.006 178.112 176.300 -0.324 0.000 1.088 163 R CA 1.206 57.165 56.100 -0.235 0.000 0.984 163 R CB -0.027 30.163 30.300 -0.185 0.000 0.884 163 R HN 0.162 nan 8.270 nan 0.000 0.447 164 E N 1.029 120.902 120.200 -0.544 0.000 2.230 164 E HA 0.074 4.443 4.350 0.032 0.000 0.192 164 E C -0.301 176.055 176.600 -0.405 0.000 0.987 164 E CA 0.532 56.587 56.400 -0.574 0.000 0.841 164 E CB 0.341 29.387 29.700 -1.090 0.000 0.783 164 E HN 0.267 nan 8.360 nan 0.000 0.481 165 A N 0.276 122.867 122.820 -0.382 0.000 2.340 165 A HA 0.629 4.969 4.320 0.032 0.000 0.331 165 A C -0.074 177.395 177.584 -0.191 0.000 1.140 165 A CA -0.247 51.626 52.037 -0.273 0.000 0.801 165 A CB 1.074 19.886 19.000 -0.313 0.000 1.234 165 A HN 0.264 nan 8.150 nan 0.000 0.469 166 S N 0.967 116.587 115.700 -0.134 0.000 2.617 166 S HA 0.482 4.971 4.470 0.032 0.000 0.269 166 S C 1.213 175.765 174.600 -0.080 0.000 1.292 166 S CA -0.039 58.104 58.200 -0.094 0.000 1.010 166 S CB 1.308 64.470 63.200 -0.064 0.000 0.944 166 S HN 1.700 nan 8.310 nan 0.000 0.536 167 A N 0.692 123.472 122.820 -0.067 0.000 2.024 167 A HA -0.115 4.224 4.320 0.032 0.000 0.220 167 A C 2.093 179.662 177.584 -0.025 0.000 1.164 167 A CA 1.735 53.739 52.037 -0.055 0.000 0.643 167 A CB -1.020 17.952 19.000 -0.046 0.000 0.806 167 A HN 1.008 nan 8.150 nan 0.000 0.451 168 E N 0.212 120.405 120.200 -0.012 0.000 2.028 168 E HA -0.232 4.137 4.350 0.032 0.000 0.191 168 E C 2.040 178.676 176.600 0.060 0.000 0.988 168 E CA 1.388 57.799 56.400 0.019 0.000 0.799 168 E CB -0.162 29.546 29.700 0.013 0.000 0.755 168 E HN 0.867 nan 8.360 nan 0.000 0.447 169 E N 0.439 120.677 120.200 0.063 0.000 2.152 169 E HA -0.165 4.204 4.350 0.032 0.000 0.192 169 E C 2.302 178.966 176.600 0.107 0.000 0.983 169 E CA 0.609 57.116 56.400 0.178 0.000 0.818 169 E CB -0.317 29.497 29.700 0.190 0.000 0.758 169 E HN 0.312 nan 8.360 nan 0.000 0.467 170 L N 1.086 122.304 121.223 -0.008 0.000 2.131 170 L HA -0.125 4.234 4.340 0.032 0.000 0.210 170 L C 2.720 179.605 176.870 0.024 0.000 1.092 170 L CA 0.966 55.784 54.840 -0.037 0.000 0.759 170 L CB -0.456 41.536 42.059 -0.111 0.000 0.903 170 L HN 0.246 nan 8.230 nan 0.000 0.435 171 A N -0.045 122.798 122.820 0.039 0.000 2.019 171 A HA -0.109 4.230 4.320 0.032 0.000 0.219 171 A C 2.139 179.785 177.584 0.103 0.000 1.164 171 A CA 1.714 53.786 52.037 0.058 0.000 0.644 171 A CB -0.753 18.278 19.000 0.052 0.000 0.805 171 A HN 0.456 nan 8.150 nan 0.000 0.449 172 G N -2.576 106.316 108.800 0.153 0.000 3.126 172 G HA2 0.315 4.294 3.960 0.032 0.000 0.224 172 G HA3 0.315 4.294 3.960 0.032 0.000 0.224 172 G C -0.017 174.957 174.900 0.123 0.000 1.142 172 G CA -0.253 44.977 45.100 0.218 0.000 0.759 172 G HN 0.278 nan 8.290 nan 0.000 0.550 173 F N 2.877 122.666 119.950 -0.268 0.000 2.423 173 F HA 0.461 5.003 4.527 0.025 0.000 0.356 173 F C 0.321 176.146 175.800 0.041 0.000 1.170 173 F CA -1.615 56.132 58.000 -0.421 0.000 1.163 173 F CB 0.145 38.865 39.000 -0.467 0.000 1.318 173 F HN -0.171 nan 8.300 nan 0.000 0.569 174 K N 6.374 126.801 120.400 0.045 0.000 2.248 174 K HA 0.436 4.775 4.320 0.032 0.000 0.281 174 K C -0.576 176.000 176.600 -0.039 0.000 1.054 174 K CA -0.674 55.635 56.287 0.037 0.000 0.903 174 K CB 1.460 34.002 32.500 0.070 0.000 1.077 174 K HN 0.519 nan 8.250 nan 0.000 0.474 175 M N 2.692 122.232 119.600 -0.100 0.000 2.395 175 M HA 0.541 5.040 4.480 0.032 0.000 0.307 175 M C -1.776 174.400 176.300 -0.206 0.000 1.091 175 M CA -0.363 54.817 55.300 -0.200 0.000 0.919 175 M CB 2.144 34.462 32.600 -0.469 0.000 1.662 175 M HN 0.702 nan 8.290 nan 0.000 0.440 176 A N 2.556 125.222 122.820 -0.257 0.000 2.479 176 A HA 0.727 5.066 4.320 0.032 0.000 0.296 176 A C -1.670 175.792 177.584 -0.203 0.000 1.121 176 A CA -0.678 51.153 52.037 -0.343 0.000 0.743 176 A CB 1.226 19.964 19.000 -0.436 0.000 1.323 176 A HN 0.783 nan 8.150 nan 0.000 0.415 177 D N -0.157 120.267 120.400 0.040 0.000 2.280 177 D HA 0.555 5.214 4.640 0.032 0.000 0.236 177 D C -0.890 175.617 176.300 0.345 0.000 1.082 177 D CA -0.069 54.072 54.000 0.234 0.000 0.834 177 D CB 0.315 41.374 40.800 0.433 0.000 1.100 177 D HN 0.163 nan 8.370 nan 0.000 0.486 178 F N 2.010 122.044 119.950 0.140 0.000 2.735 178 F HA 0.367 4.914 4.527 0.033 0.000 0.308 178 F C 1.755 177.593 175.800 0.063 0.000 1.112 178 F CA -0.829 57.212 58.000 0.069 0.000 1.235 178 F CB 0.752 39.756 39.000 0.006 0.000 1.027 178 F HN 0.551 nan 8.300 nan 0.000 0.528 179 G N -0.169 108.767 108.800 0.226 0.000 3.279 179 G HA2 0.030 4.010 3.960 0.032 0.000 0.230 179 G HA3 0.030 4.010 3.960 0.032 0.000 0.230 179 G C 1.257 176.067 174.900 -0.150 0.000 1.230 179 G CA 0.508 45.621 45.100 0.022 0.000 0.891 179 G HN 0.208 nan 8.290 nan 0.000 0.518 180 T N 1.349 115.936 114.554 0.055 0.000 2.643 180 T HA -0.180 4.189 4.350 0.032 0.000 0.264 180 T C 2.610 177.380 174.700 0.117 0.000 1.045 180 T CA 1.454 63.648 62.100 0.157 0.000 1.155 180 T CB -0.149 68.915 68.868 0.327 0.000 0.863 180 T HN 0.635 nan 8.240 nan 0.000 0.420 181 R N 1.601 122.177 120.500 0.126 0.000 2.103 181 R HA -0.100 4.259 4.340 0.032 0.000 0.242 181 R C 1.438 177.793 176.300 0.092 0.000 1.142 181 R CA 1.525 57.698 56.100 0.122 0.000 0.960 181 R CB -0.325 30.054 30.300 0.132 0.000 0.858 181 R HN 0.303 nan 8.270 nan 0.000 0.439 182 R N 1.440 121.976 120.500 0.060 0.000 2.652 182 R HA 0.191 4.550 4.340 0.032 0.000 0.372 182 R C -0.361 175.961 176.300 0.036 0.000 1.104 182 R CA -0.452 55.677 56.100 0.048 0.000 1.072 182 R CB 0.628 30.950 30.300 0.035 0.000 1.367 182 R HN 0.323 nan 8.270 nan 0.000 0.577 183 R N -0.381 120.133 120.500 0.022 0.000 2.784 183 R HA -0.019 4.340 4.340 0.032 0.000 0.266 183 R C 0.395 176.761 176.300 0.110 0.000 1.044 183 R CA -0.142 55.972 56.100 0.022 0.000 1.151 183 R CB 0.292 30.574 30.300 -0.030 0.000 1.037 183 R HN 0.041 nan 8.270 nan 0.000 0.478 184 F N 1.163 121.117 119.950 0.006 0.000 2.146 184 F HA -0.106 4.440 4.527 0.032 0.000 0.298 184 F C 0.448 176.322 175.800 0.124 0.000 1.096 184 F CA 1.682 59.709 58.000 0.046 0.000 1.275 184 F CB 0.240 39.230 39.000 -0.017 0.000 1.008 184 F HN 0.805 nan 8.300 nan 0.000 0.480 185 S N -2.904 112.934 115.700 0.229 0.000 2.615 185 S HA 0.146 4.635 4.470 0.032 0.000 0.268 185 S C 0.035 174.773 174.600 0.230 0.000 1.146 185 S CA -0.311 58.016 58.200 0.211 0.000 0.818 185 S CB 0.209 63.570 63.200 0.269 0.000 1.111 185 S HN 0.269 nan 8.310 nan 0.000 0.465 186 Y N 1.760 122.161 120.300 0.169 0.000 2.145 186 Y HA -0.008 4.561 4.550 0.032 0.000 0.286 186 Y C 2.564 178.560 175.900 0.161 0.000 1.145 186 Y CA 2.258 60.464 58.100 0.177 0.000 1.148 186 Y CB -0.402 38.125 38.460 0.113 0.000 0.981 186 Y HN 0.835 nan 8.280 nan 0.000 0.507 187 R N -0.096 120.335 120.500 -0.115 0.000 2.103 187 R HA -0.153 4.206 4.340 0.032 0.000 0.242 187 R C 2.097 178.276 176.300 -0.203 0.000 1.142 187 R CA 2.045 58.021 56.100 -0.208 0.000 0.960 187 R CB -0.827 29.459 30.300 -0.024 0.000 0.858 187 R HN 0.353 nan 8.270 nan 0.000 0.439 188 V N -0.155 119.712 119.914 -0.079 0.000 2.427 188 V HA -0.232 3.908 4.120 0.032 0.000 0.248 188 V C 2.154 178.231 176.094 -0.027 0.000 1.051 188 V CA 2.150 64.414 62.300 -0.060 0.000 1.048 188 V CB -0.631 31.195 31.823 0.006 0.000 0.666 188 V HN 0.535 nan 8.190 nan 0.000 0.456 189 H N -0.201 118.790 119.070 -0.133 0.000 2.353 189 H HA -0.212 4.362 4.556 0.031 0.000 0.300 189 H C 2.483 177.705 175.328 -0.177 0.000 1.090 189 H CA 1.790 57.778 56.048 -0.099 0.000 1.327 189 H CB 0.300 30.049 29.762 -0.021 0.000 1.383 189 H HN 0.516 nan 8.280 nan 0.000 0.508 190 E N 0.177 120.190 120.200 -0.312 0.000 2.051 190 E HA -0.177 4.193 4.350 0.032 0.000 0.192 190 E C 2.322 178.816 176.600 -0.177 0.000 0.991 190 E CA 0.857 57.053 56.400 -0.340 0.000 0.799 190 E CB -0.134 29.248 29.700 -0.529 0.000 0.748 190 E HN 0.565 nan 8.360 nan 0.000 0.449 191 A N 0.478 123.201 122.820 -0.161 0.000 1.933 191 A HA -0.123 4.217 4.320 0.032 0.000 0.218 191 A C 2.386 179.895 177.584 -0.125 0.000 1.175 191 A CA 1.308 53.270 52.037 -0.126 0.000 0.628 191 A CB -0.573 18.351 19.000 -0.126 0.000 0.814 191 A HN 0.230 nan 8.150 nan 0.000 0.444 192 V N -0.566 119.279 119.914 -0.115 0.000 2.307 192 V HA -0.205 3.934 4.120 0.032 0.000 0.245 192 V C 2.576 178.559 176.094 -0.185 0.000 1.045 192 V CA 1.974 64.180 62.300 -0.157 0.000 1.024 192 V CB -0.566 31.191 31.823 -0.109 0.000 0.651 192 V HN 0.365 nan 8.190 nan 0.000 0.449 193 V N -0.529 119.331 119.914 -0.092 0.000 2.407 193 V HA -0.231 3.909 4.120 0.032 0.000 0.248 193 V C 2.650 178.643 176.094 -0.170 0.000 1.055 193 V CA 2.268 64.501 62.300 -0.112 0.000 1.049 193 V CB -0.465 31.380 31.823 0.037 0.000 0.662 193 V HN 0.614 nan 8.190 nan 0.000 0.455 194 S N 0.343 115.973 115.700 -0.117 0.000 2.383 194 S HA -0.100 4.389 4.470 0.032 0.000 0.227 194 S C 2.059 176.597 174.600 -0.103 0.000 1.026 194 S CA 1.616 59.762 58.200 -0.090 0.000 0.981 194 S CB -0.445 62.711 63.200 -0.073 0.000 0.818 194 S HN 0.629 nan 8.310 nan 0.000 0.472 195 G N 1.200 109.933 108.800 -0.110 0.000 2.408 195 G HA2 -0.043 3.937 3.960 0.032 0.000 0.217 195 G HA3 -0.043 3.937 3.960 0.032 0.000 0.217 195 G C 1.419 176.316 174.900 -0.005 0.000 1.150 195 G CA 0.635 45.718 45.100 -0.030 0.000 0.776 195 G HN 0.504 nan 8.290 nan 0.000 0.542 196 L N 0.039 121.107 121.223 -0.258 0.000 2.056 196 L HA -0.011 4.348 4.340 0.032 0.000 0.207 196 L C 2.806 179.306 176.870 -0.616 0.000 1.078 196 L CA 1.509 55.986 54.840 -0.605 0.000 0.749 196 L CB -0.258 40.936 42.059 -1.442 0.000 0.901 196 L HN 0.214 nan 8.230 nan 0.000 0.433 197 K N -0.169 119.953 120.400 -0.463 0.000 2.026 197 K HA -0.194 4.145 4.320 0.032 0.000 0.208 197 K C 1.980 178.569 176.600 -0.018 0.000 1.048 197 K CA 1.416 57.670 56.287 -0.056 0.000 0.929 197 K CB 0.147 32.683 32.500 0.060 0.000 0.713 197 K HN 0.199 nan 8.250 nan 0.000 0.439 198 E N 0.531 120.702 120.200 -0.048 0.000 2.122 198 E HA -0.094 4.275 4.350 0.032 0.000 0.190 198 E C 1.004 177.579 176.600 -0.041 0.000 0.977 198 E CA 1.024 57.410 56.400 -0.024 0.000 0.820 198 E CB 0.106 29.799 29.700 -0.013 0.000 0.770 198 E HN 0.422 nan 8.360 nan 0.000 0.462 199 D N -0.732 119.626 120.400 -0.070 0.000 2.474 199 D HA 0.022 4.681 4.640 0.032 0.000 0.213 199 D C 0.041 176.041 176.300 -0.500 0.000 1.120 199 D CA -0.381 53.533 54.000 -0.143 0.000 0.836 199 D CB -0.021 40.820 40.800 0.069 0.000 1.019 199 D HN -0.021 nan 8.370 nan 0.000 0.507 200 F N 2.784 122.263 119.950 -0.785 0.000 2.612 200 F HA 0.079 4.619 4.527 0.023 0.000 0.389 200 F C -1.363 174.133 175.800 -0.506 0.000 1.055 200 F CA -1.672 55.739 58.000 -0.982 0.000 1.232 200 F CB 0.938 39.603 39.000 -0.558 0.000 1.044 200 F HN -0.183 nan 8.300 nan 0.000 0.560 201 P HA 0.001 nan 4.420 nan 0.000 0.220 201 P C 0.691 177.599 177.300 -0.654 0.000 1.148 201 P CA 1.317 64.013 63.100 -0.673 0.000 0.803 201 P CB 0.076 31.471 31.700 -0.508 0.000 0.782 202 G N -1.348 106.735 108.800 -1.195 0.000 2.773 202 G HA2 0.246 4.225 3.960 0.032 0.000 0.186 202 G HA3 0.246 4.225 3.960 0.032 0.000 0.186 202 G C -0.871 174.012 174.900 -0.029 0.000 1.411 202 G CA -0.273 44.546 45.100 -0.470 0.000 1.054 202 G HN 0.046 nan 8.290 nan 0.000 0.579 203 C N 0.298 119.741 119.300 0.239 0.000 2.203 203 C HA 0.403 4.883 4.460 0.032 0.000 0.325 203 C C -0.397 174.804 174.990 0.351 0.000 1.156 203 C CA -0.828 58.343 59.018 0.256 0.000 1.597 203 C CB -1.401 26.422 27.740 0.137 0.000 2.148 203 C HN 0.405 nan 8.230 nan 0.000 0.472 204 F N 4.519 124.601 119.950 0.221 0.000 2.466 204 F HA 0.321 4.865 4.527 0.028 0.000 0.363 204 F C 1.186 176.982 175.800 -0.006 0.000 1.109 204 F CA -0.413 57.588 58.000 0.001 0.000 1.161 204 F CB 0.872 39.851 39.000 -0.036 0.000 1.117 204 F HN 0.511 nan 8.300 nan 0.000 0.539 205 V N 3.687 123.339 119.914 -0.436 0.000 3.354 205 V HA 0.625 4.765 4.120 0.032 0.000 0.258 205 V C 0.874 176.668 176.094 -0.501 0.000 1.159 205 V CA 0.926 63.018 62.300 -0.347 0.000 1.125 205 V CB -0.750 30.967 31.823 -0.177 0.000 0.774 205 V HN 1.067 nan 8.190 nan 0.000 0.464 206 G N -0.944 107.269 108.800 -0.978 0.000 2.352 206 G HA2 0.399 4.378 3.960 0.032 0.000 0.283 206 G HA3 0.399 4.378 3.960 0.032 0.000 0.283 206 G C -0.878 173.744 174.900 -0.464 0.000 1.308 206 G CA 0.086 44.794 45.100 -0.653 0.000 0.892 206 G HN 0.594 nan 8.290 nan 0.000 0.504 207 T N -1.601 112.899 114.554 -0.091 0.000 2.909 207 T HA 0.595 4.964 4.350 0.032 0.000 0.299 207 T C 1.465 176.279 174.700 0.190 0.000 1.073 207 T CA 0.905 63.083 62.100 0.129 0.000 0.999 207 T CB 1.457 70.443 68.868 0.198 0.000 1.098 207 T HN 1.733 nan 8.240 nan 0.000 0.477 208 S N 2.959 118.843 115.700 0.307 0.000 2.461 208 S HA 0.058 4.547 4.470 0.032 0.000 0.228 208 S C 0.860 175.609 174.600 0.248 0.000 1.005 208 S CA -0.014 58.330 58.200 0.239 0.000 0.942 208 S CB -0.302 62.960 63.200 0.103 0.000 0.776 208 S HN 0.699 nan 8.310 nan 0.000 0.514 209 N N 2.003 120.857 118.700 0.257 0.000 2.405 209 N HA 0.106 4.865 4.740 0.032 0.000 0.260 209 N C 1.023 176.642 175.510 0.181 0.000 1.152 209 N CA 0.055 53.251 53.050 0.244 0.000 0.948 209 N CB 1.338 39.960 38.487 0.226 0.000 1.111 209 N HN 0.080 nan 8.380 nan 0.000 0.485 210 V N 3.828 123.876 119.914 0.224 0.000 2.343 210 V HA -0.231 3.908 4.120 0.032 0.000 0.247 210 V C 2.310 178.454 176.094 0.085 0.000 1.051 210 V CA 1.611 64.026 62.300 0.193 0.000 1.036 210 V CB -1.022 30.989 31.823 0.314 0.000 0.654 210 V HN 0.797 nan 8.190 nan 0.000 0.451 211 H N 0.125 119.212 119.070 0.028 0.000 2.319 211 H HA -0.155 4.421 4.556 0.034 0.000 0.299 211 H C 2.210 177.496 175.328 -0.071 0.000 1.092 211 H CA 2.095 58.115 56.048 -0.045 0.000 1.302 211 H CB 0.010 29.771 29.762 -0.002 0.000 1.373 211 H HN 0.366 nan 8.280 nan 0.000 0.497 212 L N 0.277 121.423 121.223 -0.128 0.000 2.156 212 L HA -0.075 4.284 4.340 0.032 0.000 0.208 212 L C 3.184 179.962 176.870 -0.153 0.000 1.095 212 L CA 0.713 55.442 54.840 -0.184 0.000 0.770 212 L CB -0.521 41.482 42.059 -0.093 0.000 0.914 212 L HN 0.299 nan 8.230 nan 0.000 0.439 213 A N 0.608 123.372 122.820 -0.093 0.000 1.883 213 A HA -0.272 4.067 4.320 0.032 0.000 0.217 213 A C 2.456 179.943 177.584 -0.161 0.000 1.186 213 A CA 2.098 54.100 52.037 -0.058 0.000 0.624 213 A CB -0.602 18.406 19.000 0.014 0.000 0.822 213 A HN 0.403 nan 8.150 nan 0.000 0.444 214 R N -0.223 120.009 120.500 -0.447 0.000 2.075 214 R HA -0.110 4.249 4.340 0.032 0.000 0.232 214 R C 2.264 178.303 176.300 -0.435 0.000 1.126 214 R CA 1.802 57.419 56.100 -0.805 0.000 0.963 214 R CB -0.318 29.066 30.300 -1.527 0.000 0.858 214 R HN 0.508 nan 8.270 nan 0.000 0.435 215 K N 0.483 120.637 120.400 -0.410 0.000 2.097 215 K HA -0.070 4.269 4.320 0.032 0.000 0.205 215 K C 1.520 178.018 176.600 -0.171 0.000 1.050 215 K CA 1.223 57.329 56.287 -0.303 0.000 0.938 215 K CB 0.092 32.342 32.500 -0.416 0.000 0.718 215 K HN 0.287 nan 8.250 nan 0.000 0.442 216 L N 0.633 121.772 121.223 -0.140 0.000 2.728 216 L HA 0.100 4.459 4.340 0.032 0.000 0.238 216 L C -0.298 176.556 176.870 -0.026 0.000 1.143 216 L CA -0.252 54.551 54.840 -0.061 0.000 0.937 216 L CB 0.096 42.137 42.059 -0.030 0.000 1.225 216 L HN 0.232 nan 8.230 nan 0.000 0.507 217 D N 1.716 122.091 120.400 -0.042 0.000 2.812 217 D HA -0.200 4.459 4.640 0.032 0.000 0.237 217 D C -0.837 175.479 176.300 0.025 0.000 1.162 217 D CA 0.795 54.798 54.000 0.005 0.000 0.740 217 D CB -0.842 39.966 40.800 0.014 0.000 1.000 217 D HN 0.179 nan 8.370 nan 0.000 0.416 218 L N 0.390 121.626 121.223 0.022 0.000 2.333 218 L HA 0.447 4.807 4.340 0.032 0.000 0.263 218 L C 0.735 177.605 176.870 -0.001 0.000 1.014 218 L CA -1.265 53.583 54.840 0.014 0.000 0.820 218 L CB 1.686 43.764 42.059 0.031 0.000 1.352 218 L HN -0.021 nan 8.230 nan 0.000 0.421 219 K N 3.477 123.851 120.400 -0.043 0.000 2.379 219 K HA 0.231 4.570 4.320 0.032 0.000 0.284 219 K C -2.314 174.240 176.600 -0.078 0.000 1.044 219 K CA -1.339 54.917 56.287 -0.052 0.000 0.974 219 K CB 0.814 33.282 32.500 -0.053 0.000 0.962 219 K HN 0.190 nan 8.250 nan 0.000 0.474 220 P HA 0.108 nan 4.420 nan 0.000 0.282 220 P C -0.955 176.241 177.300 -0.173 0.000 1.274 220 P CA -0.020 62.921 63.100 -0.265 0.000 0.770 220 P CB 0.685 31.977 31.700 -0.680 0.000 0.867 221 L N 2.864 124.128 121.223 0.067 0.000 2.334 221 L HA 0.907 5.266 4.340 0.032 0.000 0.273 221 L C 0.719 177.767 176.870 0.296 0.000 1.013 221 L CA -0.585 54.380 54.840 0.208 0.000 0.816 221 L CB 2.190 44.376 42.059 0.212 0.000 1.278 221 L HN 0.532 nan 8.230 nan 0.000 0.431 222 G N -0.061 108.889 108.800 0.250 0.000 2.289 222 G HA2 0.389 4.368 3.960 0.032 0.000 0.315 222 G HA3 0.389 4.368 3.960 0.032 0.000 0.315 222 G C -0.550 174.389 174.900 0.065 0.000 1.587 222 G CA 0.009 45.164 45.100 0.091 0.000 0.949 222 G HN 0.666 nan 8.290 nan 0.000 0.626 223 T N 0.031 114.563 114.554 -0.036 0.000 4.143 223 T HA 0.737 5.106 4.350 0.032 0.000 0.317 223 T C 1.157 175.830 174.700 -0.045 0.000 1.184 223 T CA 0.167 62.254 62.100 -0.020 0.000 0.934 223 T CB 0.281 69.098 68.868 -0.086 0.000 2.144 223 T HN 1.041 nan 8.240 nan 0.000 0.495 224 M N 0.117 119.572 119.600 -0.241 0.000 2.705 224 M HA 0.844 5.344 4.480 0.032 0.000 0.311 224 M C -0.692 175.453 176.300 -0.258 0.000 1.214 224 M CA -1.465 53.516 55.300 -0.532 0.000 0.920 224 M CB 1.874 33.812 32.600 -1.104 0.000 1.687 224 M HN 0.715 nan 8.290 nan 0.000 0.481 225 A N -0.254 122.391 122.820 -0.292 0.000 2.322 225 A HA 0.532 4.871 4.320 0.032 0.000 0.327 225 A C 0.033 177.561 177.584 -0.093 0.000 1.134 225 A CA -0.668 51.267 52.037 -0.169 0.000 0.831 225 A CB 0.320 19.146 19.000 -0.290 0.000 1.288 225 A HN 1.052 nan 8.150 nan 0.000 0.472 226 H N -0.004 119.087 119.070 0.034 0.000 2.387 226 H HA -0.159 4.417 4.556 0.033 0.000 0.299 226 H C 1.967 177.334 175.328 0.064 0.000 1.090 226 H CA 2.264 58.325 56.048 0.022 0.000 1.332 226 H CB 0.181 29.942 29.762 -0.003 0.000 1.386 226 H HN 0.900 nan 8.280 nan 0.000 0.516 227 E N 0.546 120.889 120.200 0.239 0.000 2.160 227 E HA -0.249 4.120 4.350 0.032 0.000 0.195 227 E C 1.967 178.741 176.600 0.289 0.000 0.991 227 E CA 1.061 57.570 56.400 0.182 0.000 0.810 227 E CB -0.594 29.315 29.700 0.347 0.000 0.742 227 E HN 0.687 nan 8.360 nan 0.000 0.466 228 W N 1.810 123.247 121.300 0.229 0.000 2.381 228 W HA -0.107 4.574 4.660 0.035 0.000 0.301 228 W C 1.617 178.317 176.519 0.301 0.000 1.205 228 W CA 0.941 58.505 57.345 0.364 0.000 1.285 228 W CB -0.058 29.505 29.460 0.173 0.000 1.133 228 W HN 0.119 nan 8.180 nan 0.000 0.521 229 L N 0.315 121.656 121.223 0.197 0.000 2.072 229 L HA -0.223 4.136 4.340 0.032 0.000 0.205 229 L C 2.746 179.626 176.870 0.017 0.000 1.079 229 L CA 1.244 56.117 54.840 0.055 0.000 0.752 229 L CB -0.766 41.327 42.059 0.057 0.000 0.906 229 L HN -0.104 nan 8.230 nan 0.000 0.436 230 M N -0.539 119.058 119.600 -0.005 0.000 2.086 230 M HA -0.177 4.322 4.480 0.032 0.000 0.261 230 M C 2.575 178.763 176.300 -0.187 0.000 1.067 230 M CA 1.881 57.133 55.300 -0.081 0.000 1.116 230 M CB -0.571 31.954 32.600 -0.124 0.000 1.348 230 M HN 0.299 nan 8.290 nan 0.000 0.407 231 A N -0.353 122.268 122.820 -0.331 0.000 1.948 231 A HA -0.222 4.118 4.320 0.032 0.000 0.220 231 A C 1.816 179.096 177.584 -0.506 0.000 1.177 231 A CA 1.645 53.320 52.037 -0.603 0.000 0.636 231 A CB -1.368 16.968 19.000 -1.107 0.000 0.815 231 A HN 0.545 nan 8.150 nan 0.000 0.449 232 H N -0.491 118.346 119.070 -0.389 0.000 2.560 232 H HA -0.075 4.501 4.556 0.032 0.000 0.283 232 H C 1.582 176.827 175.328 -0.138 0.000 1.028 232 H CA 1.378 57.250 56.048 -0.292 0.000 1.221 232 H CB 0.028 29.643 29.762 -0.244 0.000 1.363 232 H HN 0.711 nan 8.280 nan 0.000 0.594 233 Q N -0.167 119.618 119.800 -0.025 0.000 2.488 233 Q HA -0.058 4.301 4.340 0.032 0.000 0.211 233 Q C 1.157 177.166 176.000 0.015 0.000 0.967 233 Q CA 0.618 56.467 55.803 0.077 0.000 0.926 233 Q CB 0.479 29.323 28.738 0.176 0.000 0.992 233 Q HN 0.383 nan 8.270 nan 0.000 0.506 234 Q N -1.338 118.391 119.800 -0.117 0.000 2.089 234 Q HA 0.157 4.516 4.340 0.032 0.000 0.227 234 Q C 1.397 177.302 176.000 -0.158 0.000 0.774 234 Q CA 0.068 55.797 55.803 -0.123 0.000 0.960 234 Q CB 0.730 29.380 28.738 -0.147 0.000 1.179 234 Q HN 0.335 nan 8.270 nan 0.000 0.460 235 L N -0.549 120.517 121.223 -0.261 0.000 2.376 235 L HA 0.017 4.376 4.340 0.032 0.000 0.219 235 L C 1.398 178.203 176.870 -0.107 0.000 1.133 235 L CA 1.496 56.158 54.840 -0.296 0.000 0.816 235 L CB 0.098 41.733 42.059 -0.708 0.000 0.933 235 L HN 0.416 nan 8.230 nan 0.000 0.449 236 G N -1.517 107.254 108.800 -0.047 0.000 3.819 236 G HA2 -0.061 3.919 3.960 0.032 0.000 0.210 236 G HA3 -0.061 3.919 3.960 0.032 0.000 0.210 236 G C -1.972 172.956 174.900 0.046 0.000 1.018 236 G CA -0.286 44.826 45.100 0.021 0.000 0.882 236 G HN 0.193 nan 8.290 nan 0.000 0.377 237 P HA 0.496 nan 4.420 nan 0.000 0.276 237 P C -0.249 177.094 177.300 0.071 0.000 1.252 237 P CA -0.502 62.648 63.100 0.082 0.000 0.802 237 P CB 0.871 32.643 31.700 0.120 0.000 1.035 238 R N 0.191 120.728 120.500 0.061 0.000 2.698 238 R HA -0.023 4.336 4.340 0.032 0.000 0.266 238 R C 1.434 177.775 176.300 0.069 0.000 1.026 238 R CA -0.516 55.618 56.100 0.057 0.000 1.102 238 R CB -0.007 30.309 30.300 0.026 0.000 0.978 238 R HN 0.384 nan 8.270 nan 0.000 0.436 239 L N 3.558 124.839 121.223 0.096 0.000 2.043 239 L HA -0.219 4.141 4.340 0.032 0.000 0.212 239 L C 1.981 178.857 176.870 0.010 0.000 1.075 239 L CA 1.657 56.571 54.840 0.122 0.000 0.752 239 L CB -0.485 41.669 42.059 0.158 0.000 0.891 239 L HN 0.704 nan 8.230 nan 0.000 0.432 240 I N -0.700 119.741 120.570 -0.215 0.000 2.756 240 I HA -0.212 3.977 4.170 0.032 0.000 0.262 240 I C 1.396 177.373 176.117 -0.234 0.000 1.225 240 I CA 1.379 62.352 61.300 -0.544 0.000 1.472 240 I CB -0.487 37.230 38.000 -0.472 0.000 1.094 240 I HN 0.315 nan 8.210 nan 0.000 0.454 241 D N -1.043 119.340 120.400 -0.028 0.000 2.369 241 D HA 0.044 4.704 4.640 0.032 0.000 0.211 241 D C 2.302 178.687 176.300 0.143 0.000 1.077 241 D CA 0.914 54.953 54.000 0.064 0.000 0.842 241 D CB 0.180 41.016 40.800 0.060 0.000 0.947 241 D HN 0.431 nan 8.370 nan 0.000 0.509 242 S N 0.674 116.484 115.700 0.183 0.000 2.374 242 S HA -0.274 4.215 4.470 0.032 0.000 0.227 242 S C 1.894 176.583 174.600 0.148 0.000 1.037 242 S CA 1.049 59.364 58.200 0.192 0.000 1.024 242 S CB -0.315 63.013 63.200 0.214 0.000 0.861 242 S HN 0.222 nan 8.310 nan 0.000 0.456 243 Q N 0.802 120.717 119.800 0.191 0.000 2.020 243 Q HA -0.053 4.306 4.340 0.032 0.000 0.202 243 Q C 2.645 178.665 176.000 0.033 0.000 0.982 243 Q CA 1.747 57.608 55.803 0.096 0.000 0.838 243 Q CB -0.358 28.455 28.738 0.125 0.000 0.899 243 Q HN 0.663 nan 8.270 nan 0.000 0.423 244 S N 0.714 116.470 115.700 0.094 0.000 2.370 244 S HA -0.174 4.316 4.470 0.032 0.000 0.226 244 S C 1.996 176.728 174.600 0.221 0.000 1.033 244 S CA 1.076 59.366 58.200 0.150 0.000 1.011 244 S CB -0.250 63.139 63.200 0.316 0.000 0.852 244 S HN 0.489 nan 8.310 nan 0.000 0.457 245 A N 1.417 124.336 122.820 0.165 0.000 1.933 245 A HA 0.144 4.484 4.320 0.032 0.000 0.218 245 A C 2.331 179.911 177.584 -0.007 0.000 1.175 245 A CA 1.618 53.756 52.037 0.168 0.000 0.628 245 A CB -0.968 18.153 19.000 0.202 0.000 0.814 245 A HN 0.510 nan 8.150 nan 0.000 0.444 246 A N -0.132 122.510 122.820 -0.297 0.000 1.902 246 A HA -0.020 4.320 4.320 0.032 0.000 0.217 246 A C 2.148 179.853 177.584 0.201 0.000 1.181 246 A CA 1.457 53.102 52.037 -0.653 0.000 0.623 246 A CB -0.573 18.110 19.000 -0.529 0.000 0.818 246 A HN 0.470 nan 8.150 nan 0.000 0.443 247 L N -0.873 120.459 121.223 0.180 0.000 2.093 247 L HA -0.171 4.188 4.340 0.032 0.000 0.208 247 L C 2.347 179.579 176.870 0.603 0.000 1.085 247 L CA 1.752 56.798 54.840 0.343 0.000 0.755 247 L CB -0.603 41.314 42.059 -0.236 0.000 0.904 247 L HN 0.430 nan 8.230 nan 0.000 0.435 248 D N -0.752 119.994 120.400 0.577 0.000 2.117 248 D HA -0.217 4.442 4.640 0.032 0.000 0.198 248 D C 2.311 178.907 176.300 0.493 0.000 0.982 248 D CA 1.085 55.470 54.000 0.641 0.000 0.828 248 D CB 0.006 41.123 40.800 0.529 0.000 0.967 248 D HN 0.314 nan 8.370 nan 0.000 0.464 249 C N 0.005 119.608 119.300 0.505 0.000 2.446 249 C HA -0.067 4.412 4.460 0.032 0.000 0.277 249 C C 2.418 177.757 174.990 0.581 0.000 1.275 249 C CA 0.412 59.760 59.018 0.550 0.000 1.727 249 C CB -1.765 26.429 27.740 0.758 0.000 2.010 249 C HN 0.589 nan 8.230 nan 0.000 0.486 250 W N 0.735 122.339 121.300 0.506 0.000 2.335 250 W HA -0.117 4.561 4.660 0.029 0.000 0.311 250 W C 2.082 178.693 176.519 0.153 0.000 1.213 250 W CA 1.941 59.438 57.345 0.252 0.000 1.274 250 W CB -0.527 29.093 29.460 0.266 0.000 1.148 250 W HN 0.179 nan 8.180 nan 0.000 0.498 251 V N 1.154 121.257 119.914 0.316 0.000 2.515 251 V HA -0.275 3.864 4.120 0.032 0.000 0.250 251 V C 2.515 178.611 176.094 0.004 0.000 1.058 251 V CA 2.250 64.590 62.300 0.067 0.000 1.064 251 V CB -0.927 30.958 31.823 0.103 0.000 0.675 251 V HN 0.180 nan 8.190 nan 0.000 0.461 252 R N 0.094 120.642 120.500 0.080 0.000 2.148 252 R HA -0.183 4.176 4.340 0.032 0.000 0.223 252 R C 2.201 178.432 176.300 -0.115 0.000 1.088 252 R CA 1.617 57.729 56.100 0.020 0.000 0.985 252 R CB -0.011 30.341 30.300 0.087 0.000 0.880 252 R HN 0.562 nan 8.270 nan 0.000 0.451 253 E N -0.427 119.635 120.200 -0.231 0.000 2.051 253 E HA -0.142 4.227 4.350 0.032 0.000 0.189 253 E C 0.652 176.803 176.600 -0.747 0.000 0.979 253 E CA 1.353 57.441 56.400 -0.520 0.000 0.803 253 E CB -0.097 29.150 29.700 -0.754 0.000 0.761 253 E HN 0.425 nan 8.360 nan 0.000 0.451 254 Y N 0.592 120.626 120.300 -0.443 0.000 2.458 254 Y HA 0.336 4.907 4.550 0.034 0.000 0.256 254 Y C -0.040 175.692 175.900 -0.279 0.000 1.159 254 Y CA -0.048 57.794 58.100 -0.431 0.000 1.261 254 Y CB 0.490 38.530 38.460 -0.699 0.000 1.119 254 Y HN -0.123 nan 8.280 nan 0.000 0.524 255 R N 0.456 120.880 120.500 -0.127 0.000 3.301 255 R HA -0.239 4.120 4.340 0.032 0.000 0.249 255 R C 1.253 177.498 176.300 -0.093 0.000 0.964 255 R CA 0.912 56.958 56.100 -0.090 0.000 0.653 255 R CB -2.362 27.898 30.300 -0.067 0.000 1.043 255 R HN 0.755 nan 8.270 nan 0.000 0.454 256 G N -1.684 107.039 108.800 -0.129 0.000 2.234 256 G HA2 -0.306 3.673 3.960 0.032 0.000 0.235 256 G HA3 -0.306 3.673 3.960 0.032 0.000 0.235 256 G C 0.294 175.121 174.900 -0.123 0.000 0.997 256 G CA 0.143 45.160 45.100 -0.139 0.000 0.623 256 G HN 0.273 nan 8.290 nan 0.000 0.514 257 L N 1.016 122.161 121.223 -0.130 0.000 2.454 257 L HA 0.604 4.964 4.340 0.032 0.000 0.256 257 L C 1.703 178.432 176.870 -0.235 0.000 1.136 257 L CA -0.654 54.073 54.840 -0.188 0.000 0.804 257 L CB 0.675 42.576 42.059 -0.264 0.000 1.181 257 L HN 0.253 nan 8.230 nan 0.000 0.469 258 L N 1.035 122.102 121.223 -0.260 0.000 3.678 258 L HA -0.208 4.151 4.340 0.032 0.000 0.425 258 L C 0.772 177.756 176.870 0.190 0.000 1.240 258 L CA 0.355 55.117 54.840 -0.130 0.000 0.876 258 L CB -1.873 39.955 42.059 -0.386 0.000 1.766 258 L HN 0.947 nan 8.230 nan 0.000 0.917 259 G N 1.050 109.931 108.800 0.135 0.000 3.581 259 G HA2 0.461 4.440 3.960 0.032 0.000 0.255 259 G HA3 0.461 4.440 3.960 0.032 0.000 0.255 259 G C 0.293 175.491 174.900 0.497 0.000 1.121 259 G CA -0.177 45.080 45.100 0.262 0.000 1.739 259 G HN 0.259 nan 8.290 nan 0.000 0.646 260 I N 1.307 122.122 120.570 0.408 0.000 2.410 260 I HA 0.508 4.697 4.170 0.032 0.000 0.286 260 I C 0.226 176.389 176.117 0.077 0.000 1.009 260 I CA -1.228 60.218 61.300 0.244 0.000 1.111 260 I CB 1.200 39.265 38.000 0.108 0.000 1.262 260 I HN 0.185 nan 8.210 nan 0.000 0.443 261 A N 7.200 129.948 122.820 -0.121 0.000 2.311 261 A HA 0.851 5.191 4.320 0.032 0.000 0.334 261 A C -0.490 176.829 177.584 -0.442 0.000 1.139 261 A CA -0.571 51.219 52.037 -0.412 0.000 0.830 261 A CB 1.154 19.669 19.000 -0.808 0.000 1.234 261 A HN 0.672 nan 8.150 nan 0.000 0.483 262 L N 0.476 121.398 121.223 -0.501 0.000 2.379 262 L HA 0.452 4.811 4.340 0.032 0.000 0.269 262 L C 1.476 177.847 176.870 -0.832 0.000 1.084 262 L CA 0.131 54.652 54.840 -0.531 0.000 0.802 262 L CB 1.889 43.633 42.059 -0.524 0.000 1.175 262 L HN 0.993 nan 8.230 nan 0.000 0.448 263 T N -4.438 109.665 114.554 -0.752 0.000 3.040 263 T HA 0.052 4.421 4.350 0.032 0.000 0.266 263 T C 0.432 174.895 174.700 -0.396 0.000 1.005 263 T CA -0.060 61.391 62.100 -1.082 0.000 0.906 263 T CB -0.009 68.403 68.868 -0.760 0.000 1.082 263 T HN 0.640 nan 8.240 nan 0.000 0.531 264 D N 0.203 120.476 120.400 -0.212 0.000 2.643 264 D HA 0.199 4.859 4.640 0.032 0.000 0.244 264 D C 1.367 177.632 176.300 -0.058 0.000 1.257 264 D CA -0.596 53.348 54.000 -0.093 0.000 0.831 264 D CB -0.580 40.172 40.800 -0.080 0.000 1.043 264 D HN 0.306 nan 8.370 nan 0.000 0.488 265 C N -0.032 119.242 119.300 -0.045 0.000 2.440 265 C HA -0.020 4.459 4.460 0.032 0.000 0.278 265 C C 1.750 176.648 174.990 -0.153 0.000 1.295 265 C CA 0.469 59.470 59.018 -0.028 0.000 1.738 265 C CB -0.611 27.119 27.740 -0.016 0.000 1.987 265 C HN 0.425 nan 8.230 nan 0.000 0.492 266 I N 0.009 120.445 120.570 -0.224 0.000 5.146 266 I HA 0.259 4.449 4.170 0.032 0.000 0.233 266 I C 1.050 177.054 176.117 -0.189 0.000 0.965 266 I CA 1.390 62.493 61.300 -0.328 0.000 1.750 266 I CB -1.472 36.123 38.000 -0.674 0.000 1.492 266 I HN 0.333 nan 8.210 nan 0.000 0.465 267 T N -2.847 111.620 114.554 -0.144 0.000 2.883 267 T HA 0.362 4.731 4.350 0.032 0.000 0.301 267 T C 0.454 175.152 174.700 -0.004 0.000 1.158 267 T CA -0.407 61.658 62.100 -0.058 0.000 1.007 267 T CB 2.019 70.865 68.868 -0.038 0.000 1.186 267 T HN 0.144 nan 8.240 nan 0.000 0.499 268 T N 1.059 115.634 114.554 0.034 0.000 2.788 268 T HA -0.092 4.278 4.350 0.032 0.000 0.268 268 T C 1.366 176.095 174.700 0.048 0.000 1.044 268 T CA 1.584 63.721 62.100 0.060 0.000 1.139 268 T CB -0.486 68.463 68.868 0.135 0.000 0.867 268 T HN 0.675 nan 8.240 nan 0.000 0.454 269 D N 1.362 121.779 120.400 0.027 0.000 2.104 269 D HA -0.037 4.622 4.640 0.032 0.000 0.194 269 D C 2.375 178.689 176.300 0.022 0.000 0.994 269 D CA 1.318 55.324 54.000 0.010 0.000 0.830 269 D CB -0.489 40.318 40.800 0.012 0.000 0.959 269 D HN 0.403 nan 8.370 nan 0.000 0.452 270 A N 0.402 123.250 122.820 0.047 0.000 1.877 270 A HA -0.177 4.162 4.320 0.032 0.000 0.216 270 A C 2.166 179.806 177.584 0.094 0.000 1.186 270 A CA 1.167 53.261 52.037 0.096 0.000 0.620 270 A CB -1.079 17.987 19.000 0.110 0.000 0.822 270 A HN 0.262 nan 8.150 nan 0.000 0.443 271 F N 0.202 120.105 119.950 -0.079 0.000 2.069 271 F HA -0.186 4.360 4.527 0.032 0.000 0.298 271 F C 1.829 177.548 175.800 -0.135 0.000 1.113 271 F CA 1.733 59.661 58.000 -0.119 0.000 1.214 271 F CB -0.235 38.642 39.000 -0.206 0.000 0.978 271 F HN 0.146 nan 8.300 nan 0.000 0.474 272 L N 0.767 121.951 121.223 -0.065 0.000 2.131 272 L HA -0.157 4.203 4.340 0.032 0.000 0.210 272 L C 2.512 179.172 176.870 -0.350 0.000 1.092 272 L CA 1.580 56.198 54.840 -0.370 0.000 0.759 272 L CB -1.334 40.484 42.059 -0.402 0.000 0.903 272 L HN 0.190 nan 8.230 nan 0.000 0.435 273 R N -0.507 119.914 120.500 -0.130 0.000 2.152 273 R HA -0.128 4.231 4.340 0.032 0.000 0.232 273 R C 0.785 177.093 176.300 0.014 0.000 1.117 273 R CA 1.405 57.490 56.100 -0.026 0.000 0.981 273 R CB 0.077 30.383 30.300 0.010 0.000 0.870 273 R HN 0.321 nan 8.270 nan 0.000 0.451 274 D N -0.818 119.570 120.400 -0.021 0.000 2.395 274 D HA -0.023 4.636 4.640 0.032 0.000 0.213 274 D C -0.698 175.678 176.300 0.126 0.000 1.110 274 D CA 0.044 54.073 54.000 0.048 0.000 0.835 274 D CB 0.256 41.087 40.800 0.052 0.000 0.965 274 D HN 0.083 nan 8.370 nan 0.000 0.505 275 F N 3.723 123.567 119.950 -0.178 0.000 2.573 275 F HA 0.116 4.662 4.527 0.030 0.000 0.349 275 F C 0.464 176.424 175.800 0.267 0.000 1.213 275 F CA -1.466 56.492 58.000 -0.070 0.000 1.300 275 F CB -0.431 38.350 39.000 -0.365 0.000 1.661 275 F HN -0.187 nan 8.300 nan 0.000 0.616 276 D N 1.526 122.026 120.400 0.167 0.000 2.414 276 D HA -0.046 4.613 4.640 0.032 0.000 0.251 276 D C 1.557 177.824 176.300 -0.055 0.000 1.252 276 D CA -0.478 53.561 54.000 0.064 0.000 0.999 276 D CB 0.426 41.247 40.800 0.035 0.000 1.093 276 D HN 0.339 nan 8.370 nan 0.000 0.515 277 L N -0.014 121.187 121.223 -0.036 0.000 2.089 277 L HA -0.200 4.159 4.340 0.032 0.000 0.213 277 L C 2.195 179.038 176.870 -0.045 0.000 1.079 277 L CA 1.701 56.514 54.840 -0.045 0.000 0.758 277 L CB -1.120 40.927 42.059 -0.020 0.000 0.891 277 L HN 0.610 nan 8.230 nan 0.000 0.433 278 Y N -1.135 119.055 120.300 -0.184 0.000 2.114 278 Y HA -0.305 4.265 4.550 0.034 0.000 0.284 278 Y C 2.139 177.944 175.900 -0.158 0.000 1.143 278 Y CA 2.054 60.017 58.100 -0.228 0.000 1.135 278 Y CB -0.442 37.780 38.460 -0.397 0.000 0.980 278 Y HN 0.173 nan 8.280 nan 0.000 0.499 279 F N -0.009 119.955 119.950 0.023 0.000 2.163 279 F HA -0.018 4.528 4.527 0.031 0.000 0.297 279 F C 2.612 178.282 175.800 -0.216 0.000 1.094 279 F CA 0.999 59.002 58.000 0.005 0.000 1.290 279 F CB -1.395 37.665 39.000 0.101 0.000 1.017 279 F HN 0.157 nan 8.300 nan 0.000 0.483 280 A N -0.287 122.246 122.820 -0.477 0.000 1.972 280 A HA -0.179 4.161 4.320 0.032 0.000 0.219 280 A C 2.240 179.870 177.584 0.077 0.000 1.169 280 A CA 1.507 53.343 52.037 -0.335 0.000 0.635 280 A CB -0.564 18.294 19.000 -0.237 0.000 0.810 280 A HN 0.327 nan 8.150 nan 0.000 0.446 281 K N -0.713 119.680 120.400 -0.012 0.000 2.116 281 K HA 0.148 4.487 4.320 0.032 0.000 0.203 281 K C 1.814 178.402 176.600 -0.019 0.000 1.052 281 K CA 0.786 57.062 56.287 -0.018 0.000 0.952 281 K CB -0.206 32.250 32.500 -0.073 0.000 0.729 281 K HN 0.434 nan 8.250 nan 0.000 0.446 282 L N 0.010 121.197 121.223 -0.061 0.000 2.044 282 L HA -0.052 4.308 4.340 0.032 0.000 0.205 282 L C 0.592 177.418 176.870 -0.075 0.000 1.075 282 L CA 0.639 55.401 54.840 -0.131 0.000 0.747 282 L CB -0.108 41.785 42.059 -0.276 0.000 0.903 282 L HN 0.008 nan 8.230 nan 0.000 0.435 283 F N 0.573 120.639 119.950 0.193 0.000 2.443 283 F HA -0.005 4.540 4.527 0.030 0.000 0.353 283 F C 1.423 177.359 175.800 0.227 0.000 1.101 283 F CA -0.154 58.008 58.000 0.270 0.000 1.226 283 F CB 0.475 39.746 39.000 0.452 0.000 1.140 283 F HN -0.025 nan 8.300 nan 0.000 0.557 284 D N 1.458 122.057 120.400 0.331 0.000 2.277 284 D HA 0.159 4.818 4.640 0.032 0.000 0.208 284 D C 1.085 177.535 176.300 0.251 0.000 0.962 284 D CA 0.905 55.034 54.000 0.215 0.000 0.865 284 D CB 0.299 41.182 40.800 0.138 0.000 0.939 284 D HN 0.678 nan 8.370 nan 0.000 0.510 285 G N -0.845 108.168 108.800 0.354 0.000 2.341 285 G HA2 0.480 4.459 3.960 0.032 0.000 0.299 285 G HA3 0.480 4.459 3.960 0.032 0.000 0.299 285 G C -1.920 173.121 174.900 0.235 0.000 1.274 285 G CA -0.839 44.446 45.100 0.308 0.000 0.853 285 G HN 0.045 nan 8.290 nan 0.000 0.493 286 L N -0.554 120.760 121.223 0.152 0.000 2.350 286 L HA 0.798 5.157 4.340 0.032 0.000 0.260 286 L C -0.104 176.836 176.870 0.117 0.000 1.015 286 L CA -1.023 53.855 54.840 0.063 0.000 0.821 286 L CB 2.625 44.685 42.059 0.002 0.000 1.370 286 L HN 0.679 nan 8.230 nan 0.000 0.416 287 R N 0.602 121.090 120.500 -0.019 0.000 2.494 287 R HA 0.365 4.724 4.340 0.032 0.000 0.305 287 R C -0.979 175.030 176.300 -0.485 0.000 0.959 287 R CA -0.551 55.429 56.100 -0.200 0.000 0.864 287 R CB 1.173 31.356 30.300 -0.196 0.000 1.159 287 R HN 0.692 nan 8.270 nan 0.000 0.446 288 H N 2.868 121.269 119.070 -1.115 0.000 2.527 288 H HA 0.143 4.717 4.556 0.031 0.000 0.321 288 H C -0.953 173.963 175.328 -0.686 0.000 1.087 288 H CA 0.092 55.183 56.048 -1.594 0.000 1.337 288 H CB 1.797 30.318 29.762 -2.068 0.000 1.440 288 H HN 0.817 nan 8.280 nan 0.000 0.490 289 D N 2.567 122.333 120.400 -1.056 0.000 2.516 289 D HA 0.067 4.726 4.640 0.032 0.000 0.241 289 D C -0.849 175.108 176.300 -0.571 0.000 1.246 289 D CA 0.109 53.731 54.000 -0.630 0.000 0.808 289 D CB 0.647 41.317 40.800 -0.217 0.000 1.147 289 D HN 0.569 nan 8.370 nan 0.000 0.527 290 S N -1.580 113.672 115.700 -0.746 0.000 2.567 290 S HA 0.687 5.177 4.470 0.032 0.000 0.270 290 S C 0.299 174.847 174.600 -0.088 0.000 1.152 290 S CA -0.280 57.727 58.200 -0.322 0.000 0.835 290 S CB 1.331 64.420 63.200 -0.185 0.000 1.115 290 S HN 0.596 nan 8.310 nan 0.000 0.459 291 G N 1.140 109.972 108.800 0.053 0.000 2.855 291 G HA2 -0.016 3.964 3.960 0.032 0.000 0.352 291 G HA3 -0.016 3.964 3.960 0.032 0.000 0.352 291 G C -0.642 174.425 174.900 0.277 0.000 1.415 291 G CA 0.058 45.253 45.100 0.157 0.000 0.871 291 G HN 1.365 nan 8.290 nan 0.000 0.543 292 D N 0.996 121.510 120.400 0.191 0.000 2.417 292 D HA 0.388 5.047 4.640 0.032 0.000 0.250 292 D C 0.247 176.610 176.300 0.105 0.000 1.166 292 D CA -0.583 53.503 54.000 0.144 0.000 0.881 292 D CB 1.047 41.909 40.800 0.104 0.000 1.164 292 D HN 0.158 nan 8.370 nan 0.000 0.467 293 P HA -0.169 nan 4.420 nan 0.000 0.216 293 P C 1.499 178.885 177.300 0.143 0.000 1.153 293 P CA 1.078 64.009 63.100 -0.281 0.000 0.848 293 P CB 0.213 31.799 31.700 -0.191 0.000 0.787 294 L N -1.393 119.889 121.223 0.097 0.000 2.109 294 L HA -0.100 4.259 4.340 0.032 0.000 0.207 294 L C 2.727 179.685 176.870 0.146 0.000 1.086 294 L CA 0.629 55.545 54.840 0.125 0.000 0.760 294 L CB -0.974 41.120 42.059 0.058 0.000 0.910 294 L HN -0.033 nan 8.230 nan 0.000 0.437 295 L N -0.531 120.775 121.223 0.139 0.000 2.017 295 L HA -0.202 4.157 4.340 0.032 0.000 0.208 295 L C 2.280 179.249 176.870 0.165 0.000 1.073 295 L CA 1.745 56.661 54.840 0.126 0.000 0.745 295 L CB -0.748 41.382 42.059 0.118 0.000 0.894 295 L HN 0.307 nan 8.230 nan 0.000 0.432 296 W N 0.650 121.966 121.300 0.027 0.000 2.333 296 W HA -0.258 4.419 4.660 0.029 0.000 0.316 296 W C 2.417 178.956 176.519 0.033 0.000 1.215 296 W CA 2.870 60.232 57.345 0.028 0.000 1.278 296 W CB -0.692 28.793 29.460 0.042 0.000 1.154 296 W HN 0.270 nan 8.180 nan 0.000 0.486 297 A N 0.104 123.067 122.820 0.238 0.000 1.917 297 A HA -0.307 4.032 4.320 0.032 0.000 0.219 297 A C 1.834 179.371 177.584 -0.079 0.000 1.182 297 A CA 2.361 54.419 52.037 0.035 0.000 0.633 297 A CB -1.135 18.093 19.000 0.381 0.000 0.819 297 A HN 0.427 nan 8.150 nan 0.000 0.448 298 E N 0.068 120.269 120.200 0.002 0.000 2.077 298 E HA -0.149 4.220 4.350 0.032 0.000 0.193 298 E C 1.968 178.534 176.600 -0.055 0.000 0.989 298 E CA 1.700 58.098 56.400 -0.003 0.000 0.800 298 E CB -0.189 29.527 29.700 0.027 0.000 0.746 298 E HN 0.649 nan 8.360 nan 0.000 0.452 299 K N -0.635 119.698 120.400 -0.111 0.000 2.057 299 K HA -0.128 4.211 4.320 0.032 0.000 0.207 299 K C 2.310 178.789 176.600 -0.201 0.000 1.049 299 K CA 1.805 58.011 56.287 -0.135 0.000 0.931 299 K CB -0.376 32.031 32.500 -0.155 0.000 0.714 299 K HN 0.361 nan 8.250 nan 0.000 0.440 300 T N -0.312 114.005 114.554 -0.396 0.000 2.821 300 T HA -0.064 4.305 4.350 0.032 0.000 0.267 300 T C 1.986 176.574 174.700 -0.187 0.000 1.046 300 T CA 0.839 62.674 62.100 -0.442 0.000 1.139 300 T CB -0.331 68.102 68.868 -0.725 0.000 0.871 300 T HN 0.076 nan 8.240 nan 0.000 0.454 301 I N 1.844 122.388 120.570 -0.044 0.000 2.202 301 I HA -0.050 4.139 4.170 0.032 0.000 0.242 301 I C 3.242 179.425 176.117 0.110 0.000 1.091 301 I CA 1.150 62.522 61.300 0.121 0.000 1.368 301 I CB -0.608 37.445 38.000 0.089 0.000 1.058 301 I HN 0.353 nan 8.210 nan 0.000 0.410 302 A N -0.005 122.847 122.820 0.052 0.000 1.933 302 A HA -0.312 4.027 4.320 0.032 0.000 0.218 302 A C 2.167 179.796 177.584 0.076 0.000 1.175 302 A CA 2.137 54.208 52.037 0.058 0.000 0.628 302 A CB -0.963 18.061 19.000 0.040 0.000 0.814 302 A HN 0.526 nan 8.150 nan 0.000 0.444 303 H N -2.197 116.852 119.070 -0.033 0.000 2.389 303 H HA -0.106 4.469 4.556 0.031 0.000 0.299 303 H C 1.707 177.057 175.328 0.036 0.000 1.081 303 H CA 1.863 57.892 56.048 -0.032 0.000 1.345 303 H CB -0.246 29.457 29.762 -0.098 0.000 1.393 303 H HN 0.498 nan 8.280 nan 0.000 0.520 304 Y N 0.242 120.574 120.300 0.053 0.000 2.181 304 Y HA -0.150 4.420 4.550 0.034 0.000 0.288 304 Y C 2.508 178.381 175.900 -0.046 0.000 1.146 304 Y CA 1.269 59.374 58.100 0.008 0.000 1.164 304 Y CB -0.613 37.888 38.460 0.069 0.000 0.982 304 Y HN 0.198 nan 8.280 nan 0.000 0.515 305 L N -0.191 121.118 121.223 0.144 0.000 2.083 305 L HA -0.231 4.128 4.340 0.032 0.000 0.209 305 L C 2.496 179.373 176.870 0.012 0.000 1.083 305 L CA 1.504 56.384 54.840 0.066 0.000 0.752 305 L CB -0.491 41.603 42.059 0.059 0.000 0.899 305 L HN 0.120 nan 8.230 nan 0.000 0.433 306 K N 0.696 121.079 120.400 -0.027 0.000 2.147 306 K HA -0.155 4.184 4.320 0.032 0.000 0.205 306 K C 1.914 178.458 176.600 -0.095 0.000 1.049 306 K CA 1.208 57.457 56.287 -0.063 0.000 0.936 306 K CB 0.003 32.453 32.500 -0.084 0.000 0.722 306 K HN 0.306 nan 8.250 nan 0.000 0.446 307 L N -0.517 120.623 121.223 -0.138 0.000 2.554 307 L HA 0.113 4.472 4.340 0.032 0.000 0.226 307 L C 1.067 177.918 176.870 -0.032 0.000 1.137 307 L CA 0.519 55.296 54.840 -0.104 0.000 0.863 307 L CB 0.151 42.130 42.059 -0.133 0.000 0.985 307 L HN 0.549 nan 8.230 nan 0.000 0.451 308 G N 0.968 109.761 108.800 -0.010 0.000 2.136 308 G HA2 -0.264 3.715 3.960 0.032 0.000 0.242 308 G HA3 -0.264 3.715 3.960 0.032 0.000 0.242 308 G C 0.104 175.008 174.900 0.007 0.000 0.989 308 G CA -0.268 44.831 45.100 -0.000 0.000 0.682 308 G HN 0.273 nan 8.290 nan 0.000 0.522 309 I N 1.006 121.594 120.570 0.030 0.000 2.353 309 I HA 0.238 4.427 4.170 0.032 0.000 0.293 309 I C 0.002 176.108 176.117 -0.019 0.000 0.992 309 I CA -0.792 60.514 61.300 0.010 0.000 1.268 309 I CB 1.321 39.352 38.000 0.053 0.000 1.387 309 I HN 0.027 nan 8.210 nan 0.000 0.478 310 D N 9.132 129.500 120.400 -0.054 0.000 2.346 310 D HA 0.091 4.750 4.640 0.032 0.000 0.260 310 D C -1.681 174.548 176.300 -0.118 0.000 1.252 310 D CA -1.940 52.027 54.000 -0.054 0.000 0.895 310 D CB 1.399 42.174 40.800 -0.041 0.000 1.097 310 D HN 0.200 nan 8.370 nan 0.000 0.489 311 P HA -0.106 nan 4.420 nan 0.000 0.217 311 P C 1.425 178.675 177.300 -0.084 0.000 1.148 311 P CA 0.782 63.816 63.100 -0.109 0.000 0.828 311 P CB 0.191 31.915 31.700 0.040 0.000 0.783 312 L N -1.174 120.025 121.223 -0.040 0.000 2.622 312 L HA -0.038 4.322 4.340 0.032 0.000 0.233 312 L C 1.620 178.474 176.870 -0.027 0.000 1.156 312 L CA 1.354 56.185 54.840 -0.014 0.000 0.866 312 L CB -0.952 41.109 42.059 0.003 0.000 0.980 312 L HN 0.164 nan 8.230 nan 0.000 0.448 313 T N -5.032 109.479 114.554 -0.072 0.000 3.069 313 T HA 0.170 4.539 4.350 0.032 0.000 0.252 313 T C 0.698 175.349 174.700 -0.081 0.000 1.053 313 T CA -0.365 61.696 62.100 -0.064 0.000 0.964 313 T CB 0.365 69.190 68.868 -0.072 0.000 1.005 313 T HN -0.117 nan 8.240 nan 0.000 0.532 314 K N 1.181 121.508 120.400 -0.121 0.000 2.350 314 K HA 0.690 5.029 4.320 0.032 0.000 0.241 314 K C -0.778 175.832 176.600 0.015 0.000 0.994 314 K CA -0.564 55.664 56.287 -0.098 0.000 0.839 314 K CB 1.890 34.177 32.500 -0.356 0.000 1.244 314 K HN 0.020 nan 8.250 nan 0.000 0.443 315 T N 1.194 115.796 114.554 0.081 0.000 2.876 315 T HA 0.544 4.913 4.350 0.032 0.000 0.289 315 T C -0.437 174.334 174.700 0.118 0.000 1.014 315 T CA -0.680 61.480 62.100 0.099 0.000 0.986 315 T CB 1.060 69.978 68.868 0.084 0.000 1.021 315 T HN 0.213 nan 8.240 nan 0.000 0.458 316 L N 2.884 124.167 121.223 0.100 0.000 2.305 316 L HA 0.628 4.987 4.340 0.032 0.000 0.284 316 L C -0.651 176.138 176.870 -0.134 0.000 1.013 316 L CA -1.108 53.757 54.840 0.042 0.000 0.819 316 L CB 1.712 43.827 42.059 0.093 0.000 1.227 316 L HN 0.331 nan 8.230 nan 0.000 0.417 317 V N 3.577 123.373 119.914 -0.197 0.000 2.394 317 V HA 0.387 4.526 4.120 0.032 0.000 0.282 317 V C -0.436 175.423 176.094 -0.393 0.000 1.031 317 V CA -0.327 61.852 62.300 -0.202 0.000 0.881 317 V CB 1.331 33.132 31.823 -0.036 0.000 0.982 317 V HN 0.368 nan 8.190 nan 0.000 0.451 318 F N 3.157 123.062 119.950 -0.075 0.000 2.411 318 F HA 0.501 5.045 4.527 0.028 0.000 0.352 318 F C 0.835 176.708 175.800 0.121 0.000 1.123 318 F CA -0.314 57.718 58.000 0.053 0.000 1.044 318 F CB 2.007 41.114 39.000 0.178 0.000 1.135 318 F HN 0.519 nan 8.300 nan 0.000 0.461 319 S N -0.306 115.525 115.700 0.219 0.000 3.041 319 S HA 0.103 4.593 4.470 0.032 0.000 0.250 319 S C -0.802 173.873 174.600 0.124 0.000 0.898 319 S CA -0.703 57.623 58.200 0.211 0.000 1.100 319 S CB -0.284 63.125 63.200 0.347 0.000 1.149 319 S HN 0.488 nan 8.310 nan 0.000 0.540 320 D N 2.505 122.963 120.400 0.098 0.000 2.494 320 D HA 0.457 5.117 4.640 0.032 0.000 0.217 320 D C 1.197 177.547 176.300 0.084 0.000 1.153 320 D CA 0.690 54.696 54.000 0.010 0.000 0.954 320 D CB 0.043 40.752 40.800 -0.150 0.000 1.034 320 D HN 0.588 nan 8.370 nan 0.000 0.518 321 G N 3.610 112.466 108.800 0.093 0.000 2.395 321 G HA2 -0.272 3.707 3.960 0.032 0.000 0.300 321 G HA3 -0.272 3.707 3.960 0.032 0.000 0.300 321 G C 0.282 175.282 174.900 0.168 0.000 0.998 321 G CA 0.334 45.516 45.100 0.137 0.000 1.046 321 G HN 0.514 nan 8.290 nan 0.000 0.513 322 L N 0.162 121.454 121.223 0.115 0.000 2.439 322 L HA 0.576 4.936 4.340 0.032 0.000 0.261 322 L C 0.592 177.358 176.870 -0.173 0.000 1.153 322 L CA -0.723 54.115 54.840 -0.004 0.000 0.808 322 L CB 0.789 42.870 42.059 0.037 0.000 1.126 322 L HN 0.496 nan 8.230 nan 0.000 0.460 323 D N 0.554 120.737 120.400 -0.361 0.000 2.497 323 D HA 0.185 4.844 4.640 0.032 0.000 0.243 323 D C 0.468 176.590 176.300 -0.296 0.000 1.039 323 D CA -0.766 52.933 54.000 -0.501 0.000 1.052 323 D CB 1.280 41.643 40.800 -0.729 0.000 1.344 323 D HN 0.175 nan 8.370 nan 0.000 0.553 324 L N 0.318 121.403 121.223 -0.230 0.000 2.012 324 L HA 0.016 4.376 4.340 0.032 0.000 0.210 324 L C -1.008 175.905 176.870 0.071 0.000 1.073 324 L CA 1.971 56.830 54.840 0.030 0.000 0.748 324 L CB -1.686 40.527 42.059 0.257 0.000 0.891 324 L HN 0.410 nan 8.230 nan 0.000 0.431 325 P HA -0.151 nan 4.420 nan 0.000 0.215 325 P C 1.628 178.914 177.300 -0.024 0.000 1.153 325 P CA 1.508 64.544 63.100 -0.107 0.000 0.853 325 P CB -0.028 31.430 31.700 -0.403 0.000 0.788 326 R N -0.667 119.775 120.500 -0.097 0.000 2.075 326 R HA -0.035 4.324 4.340 0.032 0.000 0.232 326 R C 2.264 178.521 176.300 -0.072 0.000 1.126 326 R CA 1.429 57.484 56.100 -0.074 0.000 0.963 326 R CB -0.908 29.339 30.300 -0.087 0.000 0.858 326 R HN 0.117 nan 8.270 nan 0.000 0.435 327 A N 0.991 123.755 122.820 -0.093 0.000 1.902 327 A HA -0.180 4.159 4.320 0.032 0.000 0.217 327 A C 2.024 179.422 177.584 -0.309 0.000 1.181 327 A CA 1.161 53.038 52.037 -0.266 0.000 0.623 327 A CB -0.502 18.343 19.000 -0.257 0.000 0.818 327 A HN 0.258 nan 8.150 nan 0.000 0.443 328 L N 0.014 121.168 121.223 -0.115 0.000 2.083 328 L HA -0.128 4.231 4.340 0.032 0.000 0.209 328 L C 2.309 179.124 176.870 -0.093 0.000 1.083 328 L CA 2.524 57.197 54.840 -0.280 0.000 0.752 328 L CB -0.509 41.416 42.059 -0.223 0.000 0.899 328 L HN 0.487 nan 8.230 nan 0.000 0.433 329 K N -0.376 119.998 120.400 -0.043 0.000 2.009 329 K HA -0.250 4.089 4.320 0.032 0.000 0.210 329 K C 2.215 178.800 176.600 -0.024 0.000 1.049 329 K CA 2.208 58.480 56.287 -0.024 0.000 0.929 329 K CB -0.455 32.034 32.500 -0.019 0.000 0.714 329 K HN 0.370 nan 8.250 nan 0.000 0.440 330 I N 0.692 121.241 120.570 -0.035 0.000 2.226 330 I HA -0.271 3.918 4.170 0.032 0.000 0.245 330 I C 2.166 178.355 176.117 0.119 0.000 1.100 330 I CA 1.444 62.717 61.300 -0.044 0.000 1.374 330 I CB -0.528 37.352 38.000 -0.199 0.000 1.057 330 I HN 0.321 nan 8.210 nan 0.000 0.413 331 Y N 1.438 121.822 120.300 0.141 0.000 2.145 331 Y HA -0.256 4.312 4.550 0.030 0.000 0.286 331 Y C 2.686 178.655 175.900 0.115 0.000 1.145 331 Y CA 2.184 60.478 58.100 0.324 0.000 1.148 331 Y CB -0.545 38.068 38.460 0.255 0.000 0.981 331 Y HN 0.104 nan 8.280 nan 0.000 0.507 332 R N 0.135 120.573 120.500 -0.103 0.000 2.120 332 R HA -0.089 4.270 4.340 0.032 0.000 0.234 332 R C 2.398 178.607 176.300 -0.153 0.000 1.123 332 R CA 1.295 57.270 56.100 -0.208 0.000 0.975 332 R CB -0.602 29.642 30.300 -0.094 0.000 0.866 332 R HN 0.489 nan 8.270 nan 0.000 0.446 333 A N -0.522 122.251 122.820 -0.077 0.000 1.970 333 A HA 0.013 4.352 4.320 0.032 0.000 0.216 333 A C 1.838 179.403 177.584 -0.032 0.000 1.170 333 A CA 0.882 52.892 52.037 -0.046 0.000 0.645 333 A CB -0.048 18.939 19.000 -0.022 0.000 0.816 333 A HN 0.277 nan 8.150 nan 0.000 0.447 334 L N -0.502 120.708 121.223 -0.022 0.000 2.515 334 L HA 0.068 4.428 4.340 0.032 0.000 0.223 334 L C 0.636 177.502 176.870 -0.007 0.000 1.079 334 L CA -0.203 54.654 54.840 0.029 0.000 0.857 334 L CB -0.167 41.970 42.059 0.130 0.000 1.050 334 L HN 0.522 nan 8.230 nan 0.000 0.476 335 Q N 0.916 120.634 119.800 -0.136 0.000 2.283 335 Q HA 0.294 4.653 4.340 0.032 0.000 0.301 335 Q C 0.902 176.855 176.000 -0.078 0.000 1.063 335 Q CA 1.037 56.743 55.803 -0.162 0.000 0.952 335 Q CB 0.302 28.732 28.738 -0.513 0.000 1.166 335 Q HN 0.301 nan 8.270 nan 0.000 0.381 336 G N 2.726 111.519 108.800 -0.013 0.000 2.232 336 G HA2 -0.291 3.689 3.960 0.032 0.000 0.226 336 G HA3 -0.291 3.689 3.960 0.032 0.000 0.226 336 G C 0.982 175.891 174.900 0.016 0.000 0.996 336 G CA 0.203 45.303 45.100 -0.001 0.000 0.626 336 G HN 0.572 nan 8.290 nan 0.000 0.509 337 R N -0.599 119.919 120.500 0.029 0.000 2.221 337 R HA 0.663 5.022 4.340 0.032 0.000 0.195 337 R C 0.813 177.149 176.300 0.060 0.000 0.956 337 R CA 0.960 57.086 56.100 0.043 0.000 1.064 337 R CB 1.043 31.373 30.300 0.050 0.000 1.049 337 R HN 0.517 nan 8.270 nan 0.000 0.534 338 I N 0.424 121.042 120.570 0.080 0.000 2.842 338 I HA 0.147 4.337 4.170 0.032 0.000 0.296 338 I C -1.792 174.397 176.117 0.119 0.000 1.538 338 I CA -0.872 60.483 61.300 0.091 0.000 0.994 338 I CB 2.450 40.523 38.000 0.121 0.000 1.372 338 I HN 0.016 nan 8.210 nan 0.000 0.478 339 N N 4.555 123.319 118.700 0.107 0.000 2.513 339 N HA 0.498 5.258 4.740 0.032 0.000 0.268 339 N C -1.008 174.599 175.510 0.161 0.000 1.180 339 N CA -0.237 52.892 53.050 0.132 0.000 0.948 339 N CB 1.419 39.965 38.487 0.098 0.000 1.083 339 N HN 0.399 nan 8.380 nan 0.000 0.455 340 V N -1.167 118.865 119.914 0.197 0.000 2.925 340 V HA 0.900 5.039 4.120 0.032 0.000 0.311 340 V C -0.388 175.707 176.094 0.002 0.000 1.104 340 V CA -0.835 61.549 62.300 0.141 0.000 0.954 340 V CB 1.687 33.666 31.823 0.260 0.000 1.022 340 V HN 0.778 nan 8.190 nan 0.000 0.427 341 S N 2.492 118.041 115.700 -0.252 0.000 2.661 341 S HA 0.942 5.431 4.470 0.032 0.000 0.285 341 S C -1.284 172.948 174.600 -0.612 0.000 1.138 341 S CA -0.687 57.360 58.200 -0.257 0.000 0.855 341 S CB 1.992 65.156 63.200 -0.059 0.000 1.136 341 S HN 0.925 nan 8.310 nan 0.000 0.484 342 F N -0.545 119.417 119.950 0.020 0.000 2.603 342 F HA 0.820 5.362 4.527 0.025 0.000 0.317 342 F C 0.612 176.264 175.800 -0.246 0.000 1.066 342 F CA -0.554 57.438 58.000 -0.014 0.000 0.941 342 F CB 2.464 41.447 39.000 -0.029 0.000 1.291 342 F HN 1.009 nan 8.300 nan 0.000 0.472 343 G N 1.843 110.571 108.800 -0.119 0.000 2.723 343 G HA2 0.694 4.673 3.960 0.032 0.000 0.295 343 G HA3 0.694 4.673 3.960 0.032 0.000 0.295 343 G C -1.556 173.170 174.900 -0.290 0.000 1.464 343 G CA -0.454 44.236 45.100 -0.684 0.000 1.012 343 G HN 0.540 nan 8.290 nan 0.000 0.522 344 I N 2.230 122.648 120.570 -0.254 0.000 2.441 344 I HA 0.550 4.739 4.170 0.032 0.000 0.295 344 I C 1.038 177.152 176.117 -0.006 0.000 0.994 344 I CA -0.578 60.621 61.300 -0.167 0.000 1.144 344 I CB 2.384 40.056 38.000 -0.546 0.000 1.314 344 I HN 0.598 nan 8.210 nan 0.000 0.445 345 G N 2.249 111.077 108.800 0.047 0.000 2.727 345 G HA2 0.036 4.015 3.960 0.032 0.000 0.212 345 G HA3 0.036 4.015 3.960 0.032 0.000 0.212 345 G C 0.961 175.890 174.900 0.048 0.000 2.076 345 G CA 0.364 45.524 45.100 0.099 0.000 0.744 345 G HN 0.468 nan 8.290 nan 0.000 0.775 346 T N 0.936 115.484 114.554 -0.011 0.000 2.778 346 T HA -0.139 4.231 4.350 0.032 0.000 0.269 346 T C 1.954 176.575 174.700 -0.133 0.000 1.050 346 T CA 1.471 63.520 62.100 -0.085 0.000 1.137 346 T CB -0.392 68.386 68.868 -0.152 0.000 0.860 346 T HN 0.308 nan 8.240 nan 0.000 0.468 347 H N -0.886 118.159 119.070 -0.041 0.000 2.545 347 H HA 0.145 4.720 4.556 0.032 0.000 0.282 347 H C 1.597 176.931 175.328 0.011 0.000 1.020 347 H CA 0.652 56.653 56.048 -0.078 0.000 1.243 347 H CB -0.097 29.553 29.762 -0.185 0.000 1.377 347 H HN 0.483 nan 8.280 nan 0.000 0.581 348 F N -0.154 119.817 119.950 0.036 0.000 2.514 348 F HA -0.063 4.481 4.527 0.029 0.000 0.281 348 F C 2.404 178.171 175.800 -0.054 0.000 1.060 348 F CA 0.695 58.686 58.000 -0.015 0.000 1.397 348 F CB 0.559 39.555 39.000 -0.007 0.000 1.129 348 F HN 0.069 nan 8.300 nan 0.000 0.620 349 T N -3.708 110.926 114.554 0.133 0.000 3.107 349 T HA 0.005 4.375 4.350 0.032 0.000 0.249 349 T C 0.439 175.153 174.700 0.024 0.000 1.096 349 T CA 0.096 62.201 62.100 0.009 0.000 1.012 349 T CB -0.367 68.402 68.868 -0.166 0.000 0.977 349 T HN 0.209 nan 8.240 nan 0.000 0.527 350 C N 2.473 121.788 119.300 0.024 0.000 3.421 350 C HA 0.482 4.962 4.460 0.032 0.000 0.194 350 C C -1.129 173.843 174.990 -0.030 0.000 1.418 350 C CA -0.785 58.258 59.018 0.043 0.000 1.226 350 C CB -1.028 26.755 27.740 0.071 0.000 1.875 350 C HN 0.473 nan 8.230 nan 0.000 0.561 351 D N 2.847 123.202 120.400 -0.075 0.000 2.412 351 D HA 0.431 5.090 4.640 0.032 0.000 0.276 351 D C -0.617 175.568 176.300 -0.193 0.000 1.196 351 D CA -0.028 53.914 54.000 -0.096 0.000 0.905 351 D CB 0.379 41.164 40.800 -0.025 0.000 1.081 351 D HN 0.308 nan 8.370 nan 0.000 0.502 352 L N 2.806 123.865 121.223 -0.274 0.000 2.342 352 L HA 0.556 4.916 4.340 0.032 0.000 0.271 352 L C -2.139 174.562 176.870 -0.282 0.000 1.008 352 L CA -2.068 52.545 54.840 -0.378 0.000 0.818 352 L CB 1.687 43.328 42.059 -0.697 0.000 1.296 352 L HN 0.139 nan 8.230 nan 0.000 0.427 353 P HA 0.150 nan 4.420 nan 0.000 0.263 353 P C 0.736 177.931 177.300 -0.174 0.000 1.195 353 P CA 0.653 63.654 63.100 -0.164 0.000 0.762 353 P CB 0.574 32.196 31.700 -0.130 0.000 0.799 354 G N 1.587 110.312 108.800 -0.124 0.000 2.168 354 G HA2 -0.217 3.763 3.960 0.032 0.000 0.263 354 G HA3 -0.217 3.763 3.960 0.032 0.000 0.263 354 G C 0.074 174.871 174.900 -0.171 0.000 0.977 354 G CA -0.055 44.990 45.100 -0.093 0.000 0.659 354 G HN 0.524 nan 8.290 nan 0.000 0.533 355 V N 0.449 120.195 119.914 -0.280 0.000 2.435 355 V HA 0.613 4.752 4.120 0.032 0.000 0.290 355 V C 0.221 176.252 176.094 -0.104 0.000 1.030 355 V CA -0.575 61.499 62.300 -0.377 0.000 0.881 355 V CB 1.881 33.391 31.823 -0.522 0.000 0.983 355 V HN 0.397 nan 8.190 nan 0.000 0.445 356 E N 5.912 126.128 120.200 0.027 0.000 2.145 356 E HA 0.483 4.853 4.350 0.032 0.000 0.270 356 E C -2.591 174.063 176.600 0.089 0.000 0.906 356 E CA -1.979 54.453 56.400 0.054 0.000 0.761 356 E CB 1.891 31.637 29.700 0.077 0.000 1.116 356 E HN 0.470 nan 8.360 nan 0.000 0.408 357 P HA -0.041 nan 4.420 nan 0.000 0.267 357 P C -0.384 176.953 177.300 0.062 0.000 1.200 357 P CA 0.435 63.566 63.100 0.052 0.000 0.772 357 P CB 0.462 32.152 31.700 -0.017 0.000 0.855 358 M N 1.930 121.571 119.600 0.070 0.000 2.243 358 M HA 0.041 4.540 4.480 0.032 0.000 0.341 358 M C 0.757 177.087 176.300 0.050 0.000 1.130 358 M CA 0.572 55.915 55.300 0.072 0.000 1.162 358 M CB 0.102 32.749 32.600 0.078 0.000 1.497 358 M HN 0.341 nan 8.290 nan 0.000 0.456 359 N N 4.421 123.150 118.700 0.047 0.000 2.955 359 N HA 0.452 5.212 4.740 0.032 0.000 0.242 359 N C -1.433 174.074 175.510 -0.006 0.000 1.123 359 N CA -0.337 52.724 53.050 0.018 0.000 0.949 359 N CB 0.387 38.884 38.487 0.016 0.000 1.214 359 N HN 0.532 nan 8.380 nan 0.000 0.504 360 I N -0.434 120.128 120.570 -0.013 0.000 2.828 360 I HA 0.754 4.943 4.170 0.032 0.000 0.302 360 I C -1.059 174.999 176.117 -0.100 0.000 1.101 360 I CA -0.972 60.265 61.300 -0.105 0.000 1.031 360 I CB 2.059 40.074 38.000 0.026 0.000 1.231 360 I HN -0.085 nan 8.210 nan 0.000 0.427 361 V N 3.509 123.285 119.914 -0.230 0.000 3.178 361 V HA 0.437 4.576 4.120 0.032 0.000 0.302 361 V C -0.908 175.136 176.094 -0.083 0.000 1.262 361 V CA -0.649 61.600 62.300 -0.084 0.000 1.030 361 V CB 2.698 34.493 31.823 -0.046 0.000 1.074 361 V HN 0.587 nan 8.190 nan 0.000 0.438 362 V N 3.112 123.095 119.914 0.114 0.000 2.380 362 V HA 0.364 4.503 4.120 0.032 0.000 0.272 362 V C -0.154 176.176 176.094 0.392 0.000 1.011 362 V CA -0.778 61.667 62.300 0.243 0.000 0.826 362 V CB 1.301 33.275 31.823 0.251 0.000 1.040 362 V HN 0.928 nan 8.190 nan 0.000 0.441 363 K N 4.065 124.646 120.400 0.302 0.000 2.130 363 K HA 0.710 5.049 4.320 0.032 0.000 0.268 363 K C -0.134 176.555 176.600 0.148 0.000 0.983 363 K CA -0.725 55.709 56.287 0.246 0.000 0.893 363 K CB 2.102 34.641 32.500 0.064 0.000 1.066 363 K HN 0.549 nan 8.250 nan 0.000 0.450 364 M N 3.458 122.904 119.600 -0.257 0.000 2.217 364 M HA -0.019 4.480 4.480 0.032 0.000 0.352 364 M C 0.090 176.126 176.300 -0.441 0.000 1.376 364 M CA 0.358 55.144 55.300 -0.858 0.000 1.107 364 M CB 0.817 32.657 32.600 -1.267 0.000 1.723 364 M HN 1.007 nan 8.290 nan 0.000 0.461 365 S N 3.122 118.591 115.700 -0.386 0.000 2.524 365 S HA 0.592 5.081 4.470 0.032 0.000 0.222 365 S C 0.260 174.681 174.600 -0.298 0.000 1.040 365 S CA 0.035 58.083 58.200 -0.252 0.000 0.915 365 S CB 0.433 63.546 63.200 -0.145 0.000 0.831 365 S HN 0.852 nan 8.310 nan 0.000 0.492 366 A N -0.111 122.485 122.820 -0.373 0.000 2.610 366 A HA 0.723 5.062 4.320 0.032 0.000 0.291 366 A C -1.448 175.889 177.584 -0.413 0.000 1.086 366 A CA -0.577 51.245 52.037 -0.359 0.000 0.677 366 A CB 1.272 20.104 19.000 -0.280 0.000 1.278 366 A HN 0.722 nan 8.150 nan 0.000 0.414 367 C N 1.345 120.424 119.300 -0.370 0.000 2.551 367 C HA 0.677 5.157 4.460 0.032 0.000 0.332 367 C C -0.188 174.655 174.990 -0.245 0.000 1.139 367 C CA -0.242 58.549 59.018 -0.378 0.000 1.328 367 C CB 0.154 27.604 27.740 -0.484 0.000 1.903 367 C HN 1.118 nan 8.230 nan 0.000 0.459 368 N N 3.398 121.981 118.700 -0.194 0.000 2.727 368 N HA -0.180 4.579 4.740 0.032 0.000 0.249 368 N C 0.912 176.311 175.510 -0.184 0.000 1.048 368 N CA 2.290 55.270 53.050 -0.117 0.000 0.714 368 N CB -1.341 37.117 38.487 -0.048 0.000 0.959 368 N HN 2.030 nan 8.380 nan 0.000 0.544 369 G N -1.706 106.920 108.800 -0.290 0.000 2.162 369 G HA2 -0.315 3.664 3.960 0.032 0.000 0.260 369 G HA3 -0.315 3.664 3.960 0.032 0.000 0.260 369 G C -0.243 174.179 174.900 -0.796 0.000 0.976 369 G CA 0.739 45.545 45.100 -0.490 0.000 0.655 369 G HN 0.738 nan 8.290 nan 0.000 0.533 370 H N 0.042 118.987 119.070 -0.208 0.000 2.821 370 H HA 0.426 5.001 4.556 0.032 0.000 0.373 370 H C -2.469 172.625 175.328 -0.389 0.000 1.165 370 H CA -1.391 54.500 56.048 -0.262 0.000 1.154 370 H CB 2.276 31.901 29.762 -0.228 0.000 1.765 370 H HN 0.135 nan 8.280 nan 0.000 0.549 371 P HA 0.032 nan 4.420 nan 0.000 0.267 371 P C -0.287 176.462 177.300 -0.919 0.000 1.200 371 P CA -0.024 62.692 63.100 -0.639 0.000 0.772 371 P CB 1.114 32.413 31.700 -0.668 0.000 0.855 372 V N -1.582 118.005 119.914 -0.545 0.000 3.078 372 V HA 0.991 5.131 4.120 0.032 0.000 0.311 372 V C -0.860 175.214 176.094 -0.033 0.000 1.138 372 V CA -1.235 60.903 62.300 -0.270 0.000 1.007 372 V CB 1.539 33.195 31.823 -0.278 0.000 1.045 372 V HN 0.873 nan 8.190 nan 0.000 0.432 373 A N 1.965 124.872 122.820 0.145 0.000 2.612 373 A HA 0.864 5.203 4.320 0.032 0.000 0.293 373 A C -1.153 176.435 177.584 0.006 0.000 1.075 373 A CA -0.767 51.327 52.037 0.094 0.000 0.680 373 A CB 2.110 21.244 19.000 0.224 0.000 1.279 373 A HN 1.140 nan 8.150 nan 0.000 0.411 374 K N 1.403 121.771 120.400 -0.054 0.000 2.345 374 K HA 0.703 5.042 4.320 0.032 0.000 0.255 374 K C -0.452 176.081 176.600 -0.112 0.000 0.934 374 K CA -0.694 55.526 56.287 -0.112 0.000 0.801 374 K CB 1.136 33.523 32.500 -0.188 0.000 1.137 374 K HN 0.626 nan 8.250 nan 0.000 0.424 375 I N 1.476 121.969 120.570 -0.128 0.000 2.681 375 I HA -0.037 4.153 4.170 0.032 0.000 0.247 375 I C 0.283 176.330 176.117 -0.117 0.000 1.091 375 I CA 0.428 61.660 61.300 -0.113 0.000 1.442 375 I CB -0.036 37.890 38.000 -0.123 0.000 1.219 375 I HN 0.971 nan 8.210 nan 0.000 0.451 376 S N 1.309 116.931 115.700 -0.129 0.000 3.914 376 S HA -0.201 4.289 4.470 0.032 0.000 0.674 376 S C -0.147 174.408 174.600 -0.076 0.000 1.528 376 S CA 0.296 58.424 58.200 -0.119 0.000 1.636 376 S CB -0.997 62.112 63.200 -0.153 0.000 0.356 376 S HN 0.433 nan 8.310 nan 0.000 1.280 377 D N 1.207 121.575 120.400 -0.054 0.000 2.325 377 D HA 0.237 4.896 4.640 0.032 0.000 0.234 377 D C 0.236 176.531 176.300 -0.009 0.000 1.122 377 D CA 0.647 54.640 54.000 -0.011 0.000 0.850 377 D CB 0.016 40.840 40.800 0.040 0.000 0.921 377 D HN 0.580 nan 8.370 nan 0.000 0.513 378 T N 1.088 115.623 114.554 -0.033 0.000 2.823 378 T HA 0.561 4.930 4.350 0.032 0.000 0.279 378 T C -1.222 173.462 174.700 -0.027 0.000 0.998 378 T CA -0.919 61.167 62.100 -0.024 0.000 0.994 378 T CB 2.277 71.124 68.868 -0.035 0.000 0.960 378 T HN 0.019 nan 8.240 nan 0.000 0.448 388 D N -0.292 120.179 120.400 0.117 0.000 2.182 388 D HA -0.097 4.562 4.640 0.032 0.000 0.201 388 D C 1.594 178.011 176.300 0.195 0.000 0.986 388 D CA 0.999 55.060 54.000 0.102 0.000 0.847 388 D CB -0.237 40.588 40.800 0.042 0.000 0.942 388 D HN 0.131 nan 8.370 nan 0.000 0.467 389 F N 1.492 121.496 119.950 0.090 0.000 2.060 389 F HA -0.062 4.484 4.527 0.032 0.000 0.295 389 F C 2.240 178.136 175.800 0.160 0.000 1.120 389 F CA 0.962 59.033 58.000 0.120 0.000 1.205 389 F CB -0.387 38.653 39.000 0.067 0.000 0.986 389 F HN -0.193 nan 8.300 nan 0.000 0.470 390 I N -0.291 120.306 120.570 0.045 0.000 2.361 390 I HA -0.327 3.862 4.170 0.032 0.000 0.251 390 I C 2.607 178.698 176.117 -0.043 0.000 1.133 390 I CA 1.402 62.660 61.300 -0.069 0.000 1.413 390 I CB -0.703 37.335 38.000 0.063 0.000 1.073 390 I HN 0.319 nan 8.210 nan 0.000 0.424 391 H N 0.159 119.221 119.070 -0.014 0.000 2.299 391 H HA -0.258 4.318 4.556 0.032 0.000 0.302 391 H C 2.146 177.503 175.328 0.049 0.000 1.078 391 H CA 2.102 58.163 56.048 0.022 0.000 1.323 391 H CB -0.270 29.518 29.762 0.043 0.000 1.381 391 H HN 0.338 nan 8.280 nan 0.000 0.498 392 Y N 0.806 121.167 120.300 0.101 0.000 2.200 392 Y HA -0.164 4.405 4.550 0.032 0.000 0.290 392 Y C 2.606 178.483 175.900 -0.038 0.000 1.137 392 Y CA 1.276 59.406 58.100 0.050 0.000 1.163 392 Y CB -0.610 37.845 38.460 -0.009 0.000 0.988 392 Y HN 0.200 nan 8.280 nan 0.000 0.518 393 L N 1.063 122.152 121.223 -0.223 0.000 1.990 393 L HA -0.260 4.099 4.340 0.032 0.000 0.213 393 L C 2.172 179.002 176.870 -0.067 0.000 1.072 393 L CA 2.123 56.809 54.840 -0.258 0.000 0.755 393 L CB -0.838 40.935 42.059 -0.476 0.000 0.889 393 L HN 0.143 nan 8.230 nan 0.000 0.432 394 K N -1.667 118.675 120.400 -0.097 0.000 2.097 394 K HA -0.215 4.124 4.320 0.032 0.000 0.206 394 K C 2.240 178.800 176.600 -0.067 0.000 1.049 394 K CA 1.296 57.542 56.287 -0.068 0.000 0.933 394 K CB -0.408 32.019 32.500 -0.121 0.000 0.717 394 K HN 0.550 nan 8.250 nan 0.000 0.442 395 H N 0.802 119.760 119.070 -0.185 0.000 2.293 395 H HA -0.108 4.467 4.556 0.032 0.000 0.300 395 H C 1.992 177.183 175.328 -0.228 0.000 1.082 395 H CA 2.103 58.043 56.048 -0.180 0.000 1.308 395 H CB 0.034 29.722 29.762 -0.123 0.000 1.375 395 H HN 0.082 nan 8.280 nan 0.000 0.495 396 V N -1.426 118.276 119.914 -0.352 0.000 2.490 396 V HA -0.167 3.972 4.120 0.032 0.000 0.250 396 V C 1.994 177.814 176.094 -0.457 0.000 1.061 396 V CA 1.652 63.670 62.300 -0.470 0.000 1.064 396 V CB -1.331 30.114 31.823 -0.630 0.000 0.670 396 V HN 0.168 nan 8.190 nan 0.000 0.461 397 F N 1.045 120.852 119.950 -0.239 0.000 2.765 397 F HA 0.366 4.912 4.527 0.032 0.000 0.302 397 F C 1.136 176.837 175.800 -0.165 0.000 1.111 397 F CA 0.078 57.977 58.000 -0.168 0.000 1.359 397 F CB -0.280 38.641 39.000 -0.132 0.000 1.097 397 F HN 0.260 nan 8.300 nan 0.000 0.577 398 Q N 0.395 120.136 119.800 -0.099 0.000 2.456 398 Q HA -0.137 4.222 4.340 0.032 0.000 0.325 398 Q C -0.261 175.704 176.000 -0.059 0.000 1.453 398 Q CA 0.177 55.905 55.803 -0.125 0.000 0.848 398 Q CB -1.829 26.848 28.738 -0.102 0.000 1.123 398 Q HN 0.194 nan 8.270 nan 0.000 0.374 399 V N 0.000 119.874 119.914 -0.067 0.000 2.409 399 V HA 0.000 4.139 4.120 0.032 0.000 0.244 399 V CA 0.000 62.266 62.300 -0.057 0.000 1.235 399 V CB 0.000 31.792 31.823 -0.051 0.000 1.184 399 V HN 0.000 nan 8.190 nan 0.000 0.556