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 1mhz_1_D DATA FIRST_RESID 17 DATA SEQUENCE NRAPVGVEPQ EVHKWLQSFN WDFKENRTKY PTKYHMANET KEQFKVIAKE DATA SEQUENCE YARMEAAKDE RQFGTLLDGL TRLGAGNKVH PRWGETMKVI SNFLEVGEYN DATA SEQUENCE AIAASAMLWD SATAAEQKNG YLAQVLDEIR HTHQCAFINH YYSKHYHDPA DATA SEQUENCE GHNDARRTRA IGPLWKGMKR VFADGFISGD AVECSVNLQL VGEACFTNPL DATA SEQUENCE IVAVTEWASA NGDEITPTVF LSVETDELRH MANGYQTVVS IANDPASAKF DATA SEQUENCE LNTDLNNAFW TQQKYFTPVL GYLFEYGSKF KVEPWVKTWN RWVSEDWGGI DATA SEQUENCE WIGRLGKYGV ESPRSLRDAK RDAYWAHHDL ALAAYAMWPL GFARLALPDE DATA SEQUENCE EDQAWFEANY PGWADHYGKI FNEWKKLGYE DPKSGFIPYQ WLLANGHDVY DATA SEQUENCE IDRVSQVPFI PSLAKGTGSL RVHEFNGKKH SLTDDWGERQ WLIEPERYEC DATA SEQUENCE HNVFEQYEGR ELSEVIAEGH GVRSDGKTLI AQPHTRGDNL WTLEDIKRAG DATA SEQUENCE CVFPDPLAKF 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 17 N HA 0.000 nan 4.740 nan 0.000 0.220 17 N C 0.000 175.515 175.510 0.008 0.000 1.280 17 N CA 0.000 53.055 53.050 0.008 0.000 0.885 17 N CB 0.000 38.492 38.487 0.008 0.000 1.341 18 R N 1.462 121.966 120.500 0.007 0.000 2.710 18 R HA -0.072 nan 4.340 nan 0.000 0.301 18 R C -1.062 175.243 176.300 0.008 0.000 1.331 18 R CA 0.447 56.551 56.100 0.008 0.000 0.996 18 R CB -1.360 28.944 30.300 0.006 0.000 1.075 18 R HN -0.079 8.195 8.270 0.007 0.000 0.500 19 A N 5.507 128.333 122.820 0.010 0.000 2.486 19 A HA 0.372 nan 4.320 nan 0.000 0.300 19 A C -2.767 174.824 177.584 0.012 0.000 1.048 19 A CA -2.324 49.719 52.037 0.010 0.000 0.696 19 A CB 1.526 20.532 19.000 0.011 0.000 1.278 19 A HN -0.165 7.991 8.150 0.010 0.000 0.405 20 P HA 0.012 nan 4.420 nan 0.000 0.264 20 P C -1.244 176.065 177.300 0.015 0.000 1.236 20 P CA 0.044 63.152 63.100 0.013 0.000 0.811 20 P CB -0.739 30.968 31.700 0.011 0.000 0.840 21 V N 0.192 120.116 119.914 0.017 0.000 2.925 21 V HA 0.478 nan 4.120 nan 0.000 0.311 21 V C -1.095 175.013 176.094 0.024 0.000 1.104 21 V CA -0.469 61.844 62.300 0.021 0.000 0.954 21 V CB 2.235 34.071 31.823 0.022 0.000 1.022 21 V HN -0.041 8.159 8.190 0.016 0.000 0.427 22 G N 2.298 111.115 108.800 0.028 0.000 3.251 22 G HA2 0.385 nan 3.960 nan 0.000 0.248 22 G HA3 0.385 nan 3.960 nan 0.000 0.248 22 G C -1.743 173.182 174.900 0.041 0.000 1.320 22 G CA -0.320 44.799 45.100 0.032 0.000 0.982 22 G HN 0.019 8.326 8.290 0.029 0.000 0.575 23 V N -0.475 119.468 119.914 0.048 0.000 2.540 23 V HA 0.200 nan 4.120 nan 0.000 0.302 23 V C -1.351 174.781 176.094 0.063 0.000 1.035 23 V CA -0.920 61.418 62.300 0.063 0.000 0.873 23 V CB 2.414 34.281 31.823 0.073 0.000 0.992 23 V HN 0.159 8.376 8.190 0.045 0.000 0.428 24 E N 5.966 126.206 120.200 0.066 0.000 2.283 24 E HA 0.364 nan 4.350 nan 0.000 0.271 24 E C -1.413 175.232 176.600 0.075 0.000 1.031 24 E CA -2.903 53.532 56.400 0.059 0.000 0.868 24 E CB 0.661 30.389 29.700 0.047 0.000 1.094 24 E HN -0.199 8.490 8.360 0.072 -0.286 0.401 25 P HA -0.275 nan 4.420 nan 0.000 0.216 25 P C 0.886 178.246 177.300 0.100 0.000 1.150 25 P CA 2.843 65.995 63.100 0.086 0.000 0.837 25 P CB -0.041 31.699 31.700 0.067 0.000 0.786 26 Q N -3.682 116.156 119.800 0.064 0.000 2.291 26 Q HA -0.224 nan 4.340 nan 0.000 0.205 26 Q C 2.030 178.076 176.000 0.077 0.000 0.970 26 Q CA 3.020 58.854 55.803 0.052 0.000 0.876 26 Q CB -1.701 27.038 28.738 0.002 0.000 0.935 26 Q HN 0.670 8.955 8.270 0.047 0.014 0.455 27 E N 0.187 120.444 120.200 0.095 0.000 2.072 27 E HA -0.226 nan 4.350 nan 0.000 0.191 27 E C 2.381 179.106 176.600 0.208 0.000 0.985 27 E CA 2.273 58.752 56.400 0.131 0.000 0.801 27 E CB -0.133 29.651 29.700 0.140 0.000 0.750 27 E HN -0.460 7.797 8.360 0.090 0.157 0.452 28 V N -0.074 119.961 119.914 0.202 0.000 2.270 28 V HA -0.294 nan 4.120 nan 0.000 0.245 28 V C 1.648 177.833 176.094 0.153 0.000 1.043 28 V CA 4.255 66.699 62.300 0.240 0.000 1.014 28 V CB -0.720 31.217 31.823 0.190 0.000 0.645 28 V HN -0.516 7.693 8.190 0.163 0.079 0.447 29 H N -0.945 118.132 119.070 0.012 0.000 2.518 29 H HA -0.330 nan 4.556 nan 0.000 0.294 29 H C 2.698 177.920 175.328 -0.176 0.000 1.083 29 H CA 3.586 59.589 56.048 -0.075 0.000 1.264 29 H CB -0.141 29.592 29.762 -0.049 0.000 1.370 29 H HN 0.139 8.550 8.280 0.218 0.000 0.560 30 K N -0.674 119.642 120.400 -0.140 0.000 2.283 30 K HA -0.262 nan 4.320 nan 0.000 0.202 30 K C 0.710 176.809 176.600 -0.834 0.000 1.048 30 K CA 2.092 58.100 56.287 -0.466 0.000 0.948 30 K CB -0.174 32.005 32.500 -0.535 0.000 0.742 30 K HN -0.691 7.374 8.250 -0.017 0.175 0.458 31 W N -4.491 116.668 121.300 -0.235 0.000 3.008 31 W HA 0.103 nan 4.660 nan 0.000 0.355 31 W C 0.469 176.510 176.519 -0.797 0.000 1.095 31 W CA -0.551 56.604 57.345 -0.316 0.000 1.738 31 W CB 0.265 29.658 29.460 -0.112 0.000 1.091 31 W HN 0.220 8.152 8.180 -0.157 0.154 0.574 32 L N 1.898 122.627 121.223 -0.824 0.000 2.013 32 L HA -0.467 nan 4.340 nan 0.000 0.212 32 L C 1.904 178.460 176.870 -0.523 0.000 1.073 32 L CA 3.454 57.667 54.840 -1.046 0.000 0.753 32 L CB -0.418 41.190 42.059 -0.751 0.000 0.890 32 L HN -0.764 6.988 8.230 -0.618 0.108 0.432 33 Q N -2.437 117.177 119.800 -0.310 0.000 2.234 33 Q HA -0.286 nan 4.340 nan 0.000 0.206 33 Q C 2.108 178.127 176.000 0.033 0.000 0.980 33 Q CA 2.914 58.651 55.803 -0.110 0.000 0.869 33 Q CB -0.481 28.194 28.738 -0.105 0.000 0.912 33 Q HN 0.542 8.592 8.270 -0.367 0.000 0.436 34 S N -0.348 115.402 115.700 0.083 0.000 2.593 34 S HA -0.090 nan 4.470 nan 0.000 0.217 34 S C 0.598 175.479 174.600 0.469 0.000 0.966 34 S CA 2.169 60.530 58.200 0.268 0.000 0.914 34 S CB -0.343 63.061 63.200 0.339 0.000 0.776 34 S HN -0.363 7.785 8.310 -0.028 0.145 0.523 35 F N 1.298 121.354 119.950 0.176 0.000 2.234 35 F HA -0.086 nan 4.527 nan 0.000 0.299 35 F C 0.585 176.556 175.800 0.286 0.000 1.087 35 F CA 0.863 58.985 58.000 0.203 0.000 1.340 35 F CB -0.497 38.595 39.000 0.153 0.000 1.031 35 F HN -0.240 8.064 8.300 0.327 0.193 0.500 36 N N -1.068 117.880 118.700 0.413 0.000 2.467 36 N HA -0.100 nan 4.740 nan 0.000 0.262 36 N C -1.618 174.127 175.510 0.392 0.000 1.234 36 N CA 0.178 53.405 53.050 0.295 0.000 0.952 36 N CB 0.949 39.514 38.487 0.130 0.000 1.158 36 N HN -0.752 7.810 8.380 0.347 0.026 0.463 37 W N 0.781 122.210 121.300 0.216 0.000 3.107 37 W HA 0.252 nan 4.660 nan 0.000 0.331 37 W C -2.382 174.301 176.519 0.273 0.000 1.204 37 W CA -1.740 55.733 57.345 0.213 0.000 1.184 37 W CB 1.972 31.548 29.460 0.194 0.000 1.421 37 W HN -0.349 7.778 8.180 -0.089 0.000 0.544 38 D N 1.838 122.450 120.400 0.354 0.000 2.341 38 D HA 0.091 nan 4.640 nan 0.000 0.245 38 D C -1.242 175.328 176.300 0.450 0.000 1.106 38 D CA 0.698 54.823 54.000 0.208 0.000 0.905 38 D CB 0.532 41.430 40.800 0.163 0.000 1.202 38 D HN -0.059 8.562 8.370 0.419 0.000 0.426 39 F N -3.727 116.244 119.950 0.036 0.000 2.686 39 F HA 0.115 nan 4.527 nan 0.000 0.315 39 F C -0.312 175.499 175.800 0.019 0.000 1.088 39 F CA -1.398 56.645 58.000 0.072 0.000 1.034 39 F CB 1.296 40.383 39.000 0.145 0.000 1.280 39 F HN -0.776 7.424 8.300 -0.165 0.000 0.463 40 K N 1.893 122.389 120.400 0.160 0.000 2.189 40 K HA -0.295 nan 4.320 nan 0.000 0.207 40 K C -0.608 175.979 176.600 -0.022 0.000 1.046 40 K CA 2.788 59.105 56.287 0.050 0.000 0.928 40 K CB -0.215 32.339 32.500 0.089 0.000 0.720 40 K HN 0.350 8.743 8.250 0.238 0.000 0.458 41 E N -4.382 115.840 120.200 0.036 0.000 2.463 41 E HA 0.067 nan 4.350 nan 0.000 0.193 41 E C -0.769 175.647 176.600 -0.307 0.000 1.041 41 E CA -0.810 55.581 56.400 -0.016 0.000 0.879 41 E CB -0.301 29.514 29.700 0.191 0.000 0.997 41 E HN -0.127 8.363 8.360 0.286 0.042 0.478 42 N N 2.062 120.242 118.700 -0.867 0.000 2.971 42 N HA -0.084 nan 4.740 nan 0.000 0.294 42 N C -1.048 174.204 175.510 -0.430 0.000 1.210 42 N CA -0.122 52.322 53.050 -1.009 0.000 1.157 42 N CB -0.998 36.538 38.487 -1.586 0.000 1.450 42 N HN -0.358 7.325 8.380 -0.880 0.169 0.527 43 R N -1.419 118.930 120.500 -0.252 0.000 2.836 43 R HA 0.351 nan 4.340 nan 0.000 0.269 43 R C -0.640 175.599 176.300 -0.102 0.000 1.010 43 R CA -1.178 54.843 56.100 -0.132 0.000 0.930 43 R CB 1.616 31.868 30.300 -0.079 0.000 1.218 43 R HN -0.449 7.644 8.270 -0.227 0.041 0.473 44 T N 0.232 114.749 114.554 -0.062 0.000 2.903 44 T HA -0.030 nan 4.350 nan 0.000 0.314 44 T C -0.063 174.580 174.700 -0.094 0.000 1.078 44 T CA 0.385 62.455 62.100 -0.051 0.000 1.114 44 T CB 0.361 69.233 68.868 0.007 0.000 0.987 44 T HN 0.260 8.479 8.240 -0.036 0.000 0.548 45 K N 3.947 124.241 120.400 -0.177 0.000 2.352 45 K HA 0.039 nan 4.320 nan 0.000 0.194 45 K C 0.137 176.437 176.600 -0.500 0.000 1.038 45 K CA 0.596 56.672 56.287 -0.351 0.000 1.023 45 K CB 0.901 33.106 32.500 -0.491 0.000 0.840 45 K HN 0.171 8.624 8.250 -0.130 -0.281 0.519 46 Y N 1.168 121.425 120.300 -0.073 0.000 2.307 46 Y HA 0.079 nan 4.550 nan 0.000 0.324 46 Y C -1.682 174.190 175.900 -0.047 0.000 1.238 46 Y CA -2.656 55.406 58.100 -0.064 0.000 1.280 46 Y CB -0.550 37.865 38.460 -0.076 0.000 1.248 46 Y HN -0.683 7.516 8.280 -0.061 0.044 0.508 47 P HA -0.028 nan 4.420 nan 0.000 0.271 47 P C -1.701 175.626 177.300 0.045 0.000 1.220 47 P CA 0.024 63.140 63.100 0.027 0.000 0.768 47 P CB 0.392 32.098 31.700 0.010 0.000 0.848 48 T N 0.479 115.045 114.554 0.019 0.000 3.047 48 T HA 0.109 nan 4.350 nan 0.000 0.340 48 T C -1.016 173.664 174.700 -0.034 0.000 1.421 48 T CA -0.002 62.118 62.100 0.033 0.000 1.090 48 T CB 2.502 71.435 68.868 0.108 0.000 1.292 48 T HN -0.166 8.075 8.240 0.002 0.000 0.480 49 K N 5.826 126.134 120.400 -0.153 0.000 2.504 49 K HA 0.082 nan 4.320 nan 0.000 0.199 49 K C -1.178 175.134 176.600 -0.479 0.000 1.028 49 K CA 0.189 56.219 56.287 -0.428 0.000 1.164 49 K CB 0.411 32.311 32.500 -1.000 0.000 0.877 49 K HN 0.196 8.709 8.250 -0.098 -0.322 0.508 50 Y N -3.587 116.744 120.300 0.052 0.000 2.605 50 Y HA 0.170 nan 4.550 nan 0.000 0.343 50 Y C -1.024 174.949 175.900 0.122 0.000 1.036 50 Y CA -1.238 56.923 58.100 0.101 0.000 1.065 50 Y CB 3.595 42.100 38.460 0.075 0.000 1.288 50 Y HN -0.960 7.332 8.280 0.163 0.085 0.481 51 H N 2.867 122.072 119.070 0.225 0.000 3.172 51 H HA 0.273 nan 4.556 nan 0.000 0.322 51 H C -1.722 173.671 175.328 0.108 0.000 1.003 51 H CA -0.871 55.250 56.048 0.121 0.000 1.466 51 H CB 2.188 31.992 29.762 0.071 0.000 1.673 51 H HN 0.186 8.880 8.280 0.392 -0.178 0.512 52 M N 4.581 123.998 119.600 -0.306 0.000 2.219 52 M HA -0.096 nan 4.480 nan 0.000 0.353 52 M C -0.322 175.815 176.300 -0.273 0.000 1.304 52 M CA -0.132 55.046 55.300 -0.203 0.000 1.115 52 M CB 0.551 33.069 32.600 -0.136 0.000 1.664 52 M HN 0.072 8.155 8.290 -0.344 0.000 0.459 53 A N 1.952 124.736 122.820 -0.060 0.000 2.507 53 A HA -0.198 nan 4.320 nan 0.000 0.235 53 A C -0.846 176.730 177.584 -0.014 0.000 1.070 53 A CA 0.626 52.673 52.037 0.016 0.000 0.768 53 A CB 0.508 19.526 19.000 0.029 0.000 1.011 53 A HN 0.524 8.522 8.150 -0.032 0.133 0.502 54 N N -1.629 117.094 118.700 0.039 0.000 2.424 54 N HA -0.123 nan 4.740 nan 0.000 0.178 54 N C 0.271 175.791 175.510 0.015 0.000 1.060 54 N CA 1.586 54.653 53.050 0.027 0.000 0.901 54 N CB 0.432 38.956 38.487 0.062 0.000 0.979 54 N HN 0.261 8.689 8.380 0.081 0.000 0.451 55 E N -2.766 117.441 120.200 0.013 0.000 2.558 55 E HA 0.177 nan 4.350 nan 0.000 0.205 55 E C -0.549 176.044 176.600 -0.012 0.000 1.006 55 E CA -0.698 55.703 56.400 0.002 0.000 0.961 55 E CB -0.007 29.697 29.700 0.006 0.000 1.044 55 E HN -0.052 8.320 8.360 0.019 0.000 0.465 56 T N 3.450 117.994 114.554 -0.017 0.000 2.946 56 T HA -0.177 nan 4.350 nan 0.000 0.312 56 T C -1.171 173.506 174.700 -0.038 0.000 1.066 56 T CA 2.138 64.219 62.100 -0.033 0.000 1.138 56 T CB 0.437 69.278 68.868 -0.045 0.000 1.014 56 T HN -0.324 7.840 8.240 -0.014 0.067 0.544 57 K N 2.786 123.161 120.400 -0.042 0.000 2.208 57 K HA 0.292 nan 4.320 nan 0.000 0.247 57 K C -1.309 175.265 176.600 -0.043 0.000 0.953 57 K CA -2.091 54.175 56.287 -0.035 0.000 0.837 57 K CB 2.645 35.128 32.500 -0.029 0.000 1.131 57 K HN -0.018 8.205 8.250 -0.044 0.000 0.431 58 E N 2.937 123.128 120.200 -0.015 0.000 2.349 58 E HA 0.029 nan 4.350 nan 0.000 0.262 58 E C -1.026 175.529 176.600 -0.075 0.000 1.088 58 E CA -0.874 55.513 56.400 -0.021 0.000 0.899 58 E CB 1.317 31.064 29.700 0.077 0.000 1.044 58 E HN 0.036 8.728 8.360 0.020 -0.320 0.420 59 Q N 2.245 121.947 119.800 -0.163 0.000 2.391 59 Q HA 0.075 nan 4.340 nan 0.000 0.211 59 Q C 0.054 175.718 176.000 -0.560 0.000 0.908 59 Q CA 1.852 57.418 55.803 -0.394 0.000 0.920 59 Q CB 1.008 29.413 28.738 -0.555 0.000 1.056 59 Q HN 0.466 8.669 8.270 -0.112 0.000 0.523 60 F N -1.495 118.393 119.950 -0.103 0.000 2.427 60 F HA 0.266 nan 4.527 nan 0.000 0.348 60 F C -0.480 175.149 175.800 -0.286 0.000 1.125 60 F CA -1.516 56.401 58.000 -0.139 0.000 0.989 60 F CB 1.748 40.707 39.000 -0.068 0.000 1.165 60 F HN -0.476 7.826 8.300 0.002 0.000 0.442 61 K N 5.930 126.167 120.400 -0.271 0.000 2.989 61 K HA -0.048 nan 4.320 nan 0.000 0.264 61 K C -0.844 175.600 176.600 -0.261 0.000 1.228 61 K CA -0.252 55.591 56.287 -0.739 0.000 1.186 61 K CB -2.247 29.923 32.500 -0.550 0.000 1.409 61 K HN 0.364 8.520 8.250 -0.156 0.000 0.271 62 V N -2.711 117.179 119.914 -0.042 0.000 2.863 62 V HA 0.196 nan 4.120 nan 0.000 0.307 62 V C -1.851 174.346 176.094 0.173 0.000 1.061 62 V CA -1.706 60.645 62.300 0.085 0.000 1.024 62 V CB 2.008 33.895 31.823 0.107 0.000 1.049 62 V HN -0.259 7.866 8.190 -0.011 0.059 0.471 63 I N -6.196 114.467 120.570 0.156 0.000 3.343 63 I HA 0.457 nan 4.170 nan 0.000 0.315 63 I C -0.219 175.986 176.117 0.146 0.000 1.153 63 I CA -2.205 59.184 61.300 0.149 0.000 0.952 63 I CB 3.318 41.409 38.000 0.151 0.000 1.287 63 I HN -0.581 7.712 8.210 0.137 0.000 0.472 64 A N 1.163 124.053 122.820 0.118 0.000 1.842 64 A HA -0.317 nan 4.320 nan 0.000 0.217 64 A C 1.925 179.601 177.584 0.154 0.000 1.206 64 A CA 3.633 55.744 52.037 0.123 0.000 0.630 64 A CB -1.013 18.036 19.000 0.083 0.000 0.839 64 A HN 0.554 8.767 8.150 0.105 0.000 0.447 65 K N -2.474 117.994 120.400 0.114 0.000 2.074 65 K HA -0.260 nan 4.320 nan 0.000 0.209 65 K C 2.419 179.068 176.600 0.082 0.000 1.048 65 K CA 2.527 58.868 56.287 0.091 0.000 0.926 65 K CB -0.945 31.601 32.500 0.075 0.000 0.713 65 K HN 0.209 8.522 8.250 0.105 0.000 0.444 66 E N -1.012 119.242 120.200 0.090 0.000 2.106 66 E HA -0.195 nan 4.350 nan 0.000 0.192 66 E C 2.085 178.712 176.600 0.045 0.000 0.984 66 E CA 2.376 58.813 56.400 0.062 0.000 0.806 66 E CB -0.778 28.963 29.700 0.068 0.000 0.750 66 E HN 0.072 8.485 8.360 0.104 0.009 0.458 67 Y N 0.974 121.280 120.300 0.009 0.000 2.070 67 Y HA -0.500 nan 4.550 nan 0.000 0.280 67 Y C 1.357 177.259 175.900 0.003 0.000 1.148 67 Y CA 3.749 61.847 58.100 -0.004 0.000 1.125 67 Y CB -0.178 38.277 38.460 -0.007 0.000 0.975 67 Y HN 0.144 8.361 8.280 0.225 0.198 0.492 68 A N -1.955 120.866 122.820 0.002 0.000 1.892 68 A HA -0.486 nan 4.320 nan 0.000 0.218 68 A C 1.840 179.369 177.584 -0.092 0.000 1.188 68 A CA 3.318 55.338 52.037 -0.028 0.000 0.631 68 A CB -1.087 17.963 19.000 0.083 0.000 0.822 68 A HN 0.110 8.385 8.150 0.207 0.000 0.447 69 R N -1.282 119.186 120.500 -0.052 0.000 2.083 69 R HA -0.342 nan 4.340 nan 0.000 0.237 69 R C 2.162 178.410 176.300 -0.087 0.000 1.137 69 R CA 3.111 59.183 56.100 -0.047 0.000 0.951 69 R CB -0.109 30.181 30.300 -0.017 0.000 0.851 69 R HN -0.274 7.987 8.270 -0.015 0.000 0.434 70 M N -0.535 118.986 119.600 -0.132 0.000 2.117 70 M HA -0.339 nan 4.480 nan 0.000 0.262 70 M C 2.120 178.305 176.300 -0.193 0.000 1.065 70 M CA 3.501 58.707 55.300 -0.156 0.000 1.114 70 M CB 0.032 32.525 32.600 -0.178 0.000 1.361 70 M HN 0.071 8.282 8.290 -0.131 0.000 0.408 71 E N -1.832 118.192 120.200 -0.293 0.000 2.072 71 E HA -0.261 nan 4.350 nan 0.000 0.190 71 E C 2.269 178.796 176.600 -0.122 0.000 0.982 71 E CA 2.400 58.650 56.400 -0.249 0.000 0.803 71 E CB -0.389 29.075 29.700 -0.393 0.000 0.755 71 E HN -0.165 7.962 8.360 -0.390 0.000 0.453 72 A N -0.548 122.218 122.820 -0.090 0.000 1.892 72 A HA -0.332 nan 4.320 nan 0.000 0.218 72 A C 1.985 179.556 177.584 -0.022 0.000 1.188 72 A CA 3.171 55.194 52.037 -0.023 0.000 0.631 72 A CB -0.957 18.039 19.000 -0.006 0.000 0.822 72 A HN 0.174 8.251 8.150 -0.121 0.000 0.447 73 A N -2.661 120.133 122.820 -0.044 0.000 1.917 73 A HA -0.388 nan 4.320 nan 0.000 0.219 73 A C 2.189 179.742 177.584 -0.052 0.000 1.182 73 A CA 3.217 55.230 52.037 -0.040 0.000 0.633 73 A CB -0.849 18.122 19.000 -0.048 0.000 0.819 73 A HN -0.487 7.627 8.150 -0.059 0.000 0.448 74 K N -1.708 118.647 120.400 -0.075 0.000 1.985 74 K HA -0.405 nan 4.320 nan 0.000 0.210 74 K C 2.308 178.836 176.600 -0.120 0.000 1.047 74 K CA 3.317 59.547 56.287 -0.095 0.000 0.932 74 K CB -0.373 32.065 32.500 -0.103 0.000 0.716 74 K HN -0.805 7.309 8.250 -0.084 0.086 0.439 75 D N -0.379 119.960 120.400 -0.101 0.000 2.133 75 D HA -0.334 nan 4.640 nan 0.000 0.192 75 D C 2.632 178.903 176.300 -0.047 0.000 1.001 75 D CA 3.362 57.293 54.000 -0.114 0.000 0.844 75 D CB -0.572 40.275 40.800 0.077 0.000 0.944 75 D HN 0.047 8.372 8.370 -0.075 0.000 0.447 76 E N -1.684 118.528 120.200 0.020 0.000 2.058 76 E HA -0.342 nan 4.350 nan 0.000 0.194 76 E C 2.723 179.331 176.600 0.012 0.000 0.997 76 E CA 2.828 59.260 56.400 0.053 0.000 0.801 76 E CB -0.655 29.064 29.700 0.032 0.000 0.746 76 E HN 0.236 8.593 8.360 0.005 0.006 0.450 77 R N -1.406 119.068 120.500 -0.043 0.000 2.092 77 R HA -0.220 nan 4.340 nan 0.000 0.231 77 R C 2.161 178.404 176.300 -0.094 0.000 1.119 77 R CA 2.470 58.536 56.100 -0.056 0.000 0.970 77 R CB -0.435 29.828 30.300 -0.062 0.000 0.864 77 R HN -0.544 7.693 8.270 -0.054 0.000 0.440 78 Q N 0.403 120.089 119.800 -0.191 0.000 2.016 78 Q HA -0.249 nan 4.340 nan 0.000 0.200 78 Q C 2.442 178.277 176.000 -0.276 0.000 0.978 78 Q CA 3.370 58.986 55.803 -0.311 0.000 0.833 78 Q CB -0.155 28.249 28.738 -0.557 0.000 0.895 78 Q HN -0.432 7.715 8.270 -0.206 0.000 0.427 79 F N -1.980 117.905 119.950 -0.107 0.000 2.365 79 F HA -0.151 nan 4.527 nan 0.000 0.300 79 F C 2.627 178.403 175.800 -0.040 0.000 1.090 79 F CA 1.932 59.867 58.000 -0.108 0.000 1.408 79 F CB -0.590 38.329 39.000 -0.136 0.000 1.060 79 F HN 0.157 8.273 8.300 -0.307 0.000 0.534 80 G N -0.464 108.404 108.800 0.113 0.000 2.404 80 G HA2 -0.349 nan 3.960 nan 0.000 0.215 80 G HA3 -0.349 nan 3.960 nan 0.000 0.215 80 G C 1.075 176.004 174.900 0.049 0.000 1.174 80 G CA 2.008 47.152 45.100 0.074 0.000 0.780 80 G HN -0.073 8.148 8.290 0.069 0.110 0.537 81 T N 5.878 120.437 114.554 0.008 0.000 2.652 81 T HA -0.342 nan 4.350 nan 0.000 0.267 81 T C 2.134 176.830 174.700 -0.006 0.000 1.039 81 T CA 5.151 67.242 62.100 -0.015 0.000 1.153 81 T CB -0.462 68.373 68.868 -0.055 0.000 0.863 81 T HN -0.495 7.737 8.240 -0.014 0.000 0.428 82 L N -0.451 120.768 121.223 -0.006 0.000 2.005 82 L HA -0.301 nan 4.340 nan 0.000 0.207 82 L C 1.933 178.914 176.870 0.185 0.000 1.072 82 L CA 3.604 58.431 54.840 -0.021 0.000 0.744 82 L CB -0.488 41.527 42.059 -0.073 0.000 0.895 82 L HN -0.354 7.868 8.230 -0.014 0.000 0.433 83 L N -3.030 118.341 121.223 0.247 0.000 2.046 83 L HA -0.395 nan 4.340 nan 0.000 0.208 83 L C 1.560 178.521 176.870 0.151 0.000 1.077 83 L CA 2.750 57.745 54.840 0.259 0.000 0.747 83 L CB -0.471 41.724 42.059 0.228 0.000 0.896 83 L HN -0.595 7.770 8.230 0.226 0.000 0.432 84 D N -2.175 118.287 120.400 0.104 0.000 2.454 84 D HA 0.009 nan 4.640 nan 0.000 0.247 84 D C 2.253 178.576 176.300 0.038 0.000 1.143 84 D CA 2.118 56.154 54.000 0.061 0.000 0.972 84 D CB 0.506 41.335 40.800 0.048 0.000 1.070 84 D HN -0.216 8.217 8.370 0.105 0.000 0.433 85 G N 0.072 108.887 108.800 0.025 0.000 2.459 85 G HA2 -0.269 nan 3.960 nan 0.000 0.217 85 G HA3 -0.269 nan 3.960 nan 0.000 0.217 85 G C 1.863 176.765 174.900 0.004 0.000 1.183 85 G CA 2.075 47.180 45.100 0.008 0.000 0.776 85 G HN -0.673 7.632 8.290 0.026 0.000 0.552 86 L N -0.107 121.121 121.223 0.008 0.000 2.201 86 L HA -0.369 nan 4.340 nan 0.000 0.212 86 L C 1.999 178.879 176.870 0.015 0.000 1.105 86 L CA 2.821 57.666 54.840 0.007 0.000 0.775 86 L CB -0.381 41.666 42.059 -0.020 0.000 0.913 86 L HN 0.355 8.591 8.230 0.010 0.000 0.440 87 T N 0.526 115.090 114.554 0.017 0.000 2.777 87 T HA -0.266 nan 4.350 nan 0.000 0.266 87 T C 2.607 177.257 174.700 -0.083 0.000 1.040 87 T CA 4.198 66.236 62.100 -0.103 0.000 1.141 87 T CB -0.759 68.058 68.868 -0.085 0.000 0.868 87 T HN -0.411 7.842 8.240 0.054 0.020 0.444 88 R N 2.161 122.642 120.500 -0.033 0.000 2.152 88 R HA -0.228 nan 4.340 nan 0.000 0.232 88 R C 1.586 177.871 176.300 -0.024 0.000 1.117 88 R CA 2.656 58.742 56.100 -0.024 0.000 0.981 88 R CB -0.250 30.045 30.300 -0.009 0.000 0.870 88 R HN -0.543 7.719 8.270 -0.013 0.000 0.451 89 L N -3.518 117.691 121.223 -0.022 0.000 2.509 89 L HA 0.107 nan 4.340 nan 0.000 0.222 89 L C 0.226 177.087 176.870 -0.016 0.000 1.123 89 L CA 0.130 54.960 54.840 -0.016 0.000 0.856 89 L CB 0.564 42.616 42.059 -0.011 0.000 0.985 89 L HN -0.571 7.506 8.230 -0.021 0.140 0.456 90 G N -2.529 106.250 108.800 -0.035 0.000 2.179 90 G HA2 -0.417 nan 3.960 nan 0.000 0.257 90 G HA3 -0.417 nan 3.960 nan 0.000 0.257 90 G C 0.345 175.246 174.900 0.001 0.000 1.010 90 G CA 0.417 45.498 45.100 -0.031 0.000 0.736 90 G HN -0.368 7.701 8.290 -0.054 0.188 0.513 91 A N 0.633 123.456 122.820 0.004 0.000 1.948 91 A HA -0.262 nan 4.320 nan 0.000 0.220 91 A C 1.707 179.330 177.584 0.064 0.000 1.177 91 A CA 3.259 55.315 52.037 0.032 0.000 0.636 91 A CB -0.528 18.480 19.000 0.013 0.000 0.815 91 A HN -0.143 7.968 8.150 -0.011 0.032 0.449 92 G N -3.906 104.944 108.800 0.084 0.000 2.501 92 G HA2 -0.301 nan 3.960 nan 0.000 0.220 92 G HA3 -0.301 nan 3.960 nan 0.000 0.220 92 G C 0.072 175.088 174.900 0.194 0.000 1.114 92 G CA 1.221 46.380 45.100 0.097 0.000 0.757 92 G HN 0.508 8.834 8.290 0.059 0.000 0.559 93 N N -2.569 116.241 118.700 0.184 0.000 2.338 93 N HA 0.184 nan 4.740 nan 0.000 0.251 93 N C -0.081 175.549 175.510 0.200 0.000 1.199 93 N CA -0.529 52.663 53.050 0.236 0.000 0.879 93 N CB 0.198 38.780 38.487 0.159 0.000 1.159 93 N HN -0.658 7.745 8.380 0.121 0.050 0.514 94 K N -1.894 118.619 120.400 0.188 0.000 2.374 94 K HA 0.154 nan 4.320 nan 0.000 0.202 94 K C -0.093 176.637 176.600 0.216 0.000 1.040 94 K CA -0.483 55.899 56.287 0.157 0.000 1.085 94 K CB 1.044 33.603 32.500 0.098 0.000 0.873 94 K HN -0.086 8.114 8.250 0.183 0.161 0.539 95 V N -0.097 120.000 119.914 0.305 0.000 3.003 95 V HA -0.019 nan 4.120 nan 0.000 0.305 95 V C -0.161 176.203 176.094 0.450 0.000 1.078 95 V CA -0.921 61.614 62.300 0.392 0.000 1.083 95 V CB 0.231 32.349 31.823 0.493 0.000 1.039 95 V HN -0.570 7.757 8.190 0.329 0.060 0.481 96 H N 4.488 123.784 119.070 0.377 0.000 2.652 96 H HA 0.262 nan 4.556 nan 0.000 0.349 96 H C -0.344 175.223 175.328 0.398 0.000 1.099 96 H CA -0.893 55.356 56.048 0.336 0.000 1.417 96 H CB 2.534 32.457 29.762 0.269 0.000 1.457 96 H HN 0.197 8.810 8.280 0.555 0.000 0.568 97 P HA -0.236 nan 4.420 nan 0.000 0.216 97 P C 1.258 178.789 177.300 0.386 0.000 1.150 97 P CA 2.829 66.184 63.100 0.425 0.000 0.837 97 P CB 0.309 32.175 31.700 0.276 0.000 0.786 98 R N -2.134 118.657 120.500 0.485 0.000 2.088 98 R HA -0.323 nan 4.340 nan 0.000 0.232 98 R C 1.992 178.394 176.300 0.171 0.000 1.136 98 R CA 3.598 59.862 56.100 0.273 0.000 0.926 98 R CB -0.440 29.996 30.300 0.226 0.000 0.837 98 R HN -0.586 8.164 8.270 0.799 0.000 0.429 99 W N -0.152 121.234 121.300 0.142 0.000 2.350 99 W HA -0.287 nan 4.660 nan 0.000 0.289 99 W C 1.566 178.089 176.519 0.008 0.000 1.215 99 W CA 2.350 59.742 57.345 0.078 0.000 1.236 99 W CB -0.025 29.522 29.460 0.144 0.000 1.130 99 W HN -0.102 8.402 8.180 0.541 0.000 0.541 100 G N -2.251 106.584 108.800 0.058 0.000 2.422 100 G HA2 -0.452 nan 3.960 nan 0.000 0.218 100 G HA3 -0.452 nan 3.960 nan 0.000 0.218 100 G C 1.070 175.665 174.900 -0.508 0.000 1.146 100 G CA 2.183 47.102 45.100 -0.301 0.000 0.769 100 G HN 0.241 8.630 8.290 0.322 0.094 0.547 101 E N 0.818 120.866 120.200 -0.254 0.000 2.076 101 E HA -0.115 nan 4.350 nan 0.000 0.190 101 E C 3.124 179.413 176.600 -0.517 0.000 0.979 101 E CA 2.649 58.852 56.400 -0.329 0.000 0.807 101 E CB -0.515 29.082 29.700 -0.172 0.000 0.761 101 E HN -0.324 7.888 8.360 -0.067 0.107 0.454 102 T N 3.910 118.129 114.554 -0.557 0.000 2.759 102 T HA -0.250 nan 4.350 nan 0.000 0.269 102 T C 1.964 176.207 174.700 -0.762 0.000 1.042 102 T CA 4.591 66.275 62.100 -0.694 0.000 1.140 102 T CB -0.522 67.832 68.868 -0.857 0.000 0.864 102 T HN 0.158 8.122 8.240 -0.459 0.000 0.455 103 M N -0.685 118.413 119.600 -0.836 0.000 2.539 103 M HA -0.243 nan 4.480 nan 0.000 0.261 103 M C 1.766 177.820 176.300 -0.411 0.000 1.069 103 M CA 1.009 55.942 55.300 -0.612 0.000 1.081 103 M CB -1.676 30.570 32.600 -0.589 0.000 1.412 103 M HN -0.139 7.590 8.290 -0.916 0.012 0.482 104 K N -0.266 119.773 120.400 -0.602 0.000 2.031 104 K HA -0.247 nan 4.320 nan 0.000 0.205 104 K C 1.915 178.368 176.600 -0.245 0.000 1.049 104 K CA 3.444 59.414 56.287 -0.528 0.000 0.939 104 K CB -0.295 31.803 32.500 -0.670 0.000 0.717 104 K HN -0.329 7.321 8.250 -0.706 0.176 0.438 105 V N 0.672 120.271 119.914 -0.524 0.000 2.346 105 V HA -0.213 nan 4.120 nan 0.000 0.244 105 V C 1.272 177.082 176.094 -0.473 0.000 1.037 105 V CA 3.116 64.981 62.300 -0.724 0.000 1.029 105 V CB -0.547 30.655 31.823 -1.036 0.000 0.663 105 V HN -0.710 7.101 8.190 -0.630 0.000 0.454 106 I N -0.581 119.792 120.570 -0.329 0.000 2.163 106 I HA -0.595 nan 4.170 nan 0.000 0.243 106 I C 1.918 178.120 176.117 0.141 0.000 1.085 106 I CA 4.792 66.043 61.300 -0.081 0.000 1.347 106 I CB -0.399 37.528 38.000 -0.121 0.000 1.044 106 I HN 0.442 8.389 8.210 -0.439 0.000 0.408 107 S N -1.950 113.812 115.700 0.104 0.000 2.368 107 S HA -0.301 nan 4.470 nan 0.000 0.224 107 S C 1.971 176.736 174.600 0.275 0.000 1.029 107 S CA 3.531 61.875 58.200 0.240 0.000 0.988 107 S CB -0.210 63.100 63.200 0.183 0.000 0.838 107 S HN -0.385 7.908 8.310 -0.029 0.000 0.462 108 N N 1.434 120.261 118.700 0.213 0.000 2.216 108 N HA -0.208 nan 4.740 nan 0.000 0.183 108 N C 2.299 178.091 175.510 0.469 0.000 1.017 108 N CA 3.157 56.359 53.050 0.254 0.000 0.861 108 N CB 0.119 38.682 38.487 0.127 0.000 0.986 108 N HN -0.702 7.750 8.380 0.120 0.000 0.428 109 F N -0.250 119.869 119.950 0.281 0.000 2.134 109 F HA -0.213 nan 4.527 nan 0.000 0.299 109 F C 2.365 178.414 175.800 0.414 0.000 1.097 109 F CA 1.943 60.175 58.000 0.388 0.000 1.264 109 F CB -0.671 38.536 39.000 0.345 0.000 1.001 109 F HN 0.102 8.665 8.300 0.438 0.000 0.479 110 L N -1.448 120.126 121.223 0.585 0.000 2.017 110 L HA -0.408 nan 4.340 nan 0.000 0.208 110 L C 1.602 178.747 176.870 0.458 0.000 1.073 110 L CA 3.428 58.584 54.840 0.526 0.000 0.745 110 L CB -0.359 41.963 42.059 0.438 0.000 0.894 110 L HN -0.344 8.208 8.230 0.537 0.000 0.432 111 E N -0.665 119.781 120.200 0.410 0.000 2.147 111 E HA -0.468 nan 4.350 nan 0.000 0.199 111 E C 2.585 179.411 176.600 0.377 0.000 1.005 111 E CA 3.662 60.275 56.400 0.355 0.000 0.810 111 E CB -0.022 29.857 29.700 0.299 0.000 0.736 111 E HN -0.351 8.255 8.360 0.411 0.000 0.460 112 V N -0.657 119.511 119.914 0.424 0.000 2.379 112 V HA -0.188 nan 4.120 nan 0.000 0.245 112 V C 1.380 177.715 176.094 0.403 0.000 1.044 112 V CA 3.699 66.260 62.300 0.435 0.000 1.036 112 V CB -0.750 31.363 31.823 0.483 0.000 0.664 112 V HN -0.715 7.641 8.190 0.461 0.110 0.453 113 G N -1.449 107.618 108.800 0.444 0.000 2.422 113 G HA2 -0.305 nan 3.960 nan 0.000 0.218 113 G HA3 -0.305 nan 3.960 nan 0.000 0.218 113 G C 1.545 176.589 174.900 0.240 0.000 1.146 113 G CA 2.399 47.698 45.100 0.332 0.000 0.769 113 G HN -0.518 8.013 8.290 0.535 0.080 0.547 114 E N 1.539 121.888 120.200 0.249 0.000 2.072 114 E HA -0.273 nan 4.350 nan 0.000 0.191 114 E C 1.963 178.650 176.600 0.145 0.000 0.985 114 E CA 2.272 58.779 56.400 0.178 0.000 0.801 114 E CB -0.571 29.276 29.700 0.245 0.000 0.750 114 E HN 0.017 8.560 8.360 0.321 0.010 0.452 115 Y N 1.410 121.788 120.300 0.130 0.000 2.070 115 Y HA -0.423 nan 4.550 nan 0.000 0.280 115 Y C 2.348 178.300 175.900 0.087 0.000 1.148 115 Y CA 3.193 61.351 58.100 0.097 0.000 1.125 115 Y CB 0.071 38.604 38.460 0.122 0.000 0.975 115 Y HN 0.009 8.331 8.280 0.383 0.187 0.492 116 N N -1.521 117.195 118.700 0.026 0.000 2.348 116 N HA -0.416 nan 4.740 nan 0.000 0.185 116 N C 1.751 177.238 175.510 -0.039 0.000 1.019 116 N CA 3.472 56.517 53.050 -0.007 0.000 0.880 116 N CB -0.119 38.479 38.487 0.186 0.000 0.965 116 N HN 0.412 8.943 8.380 0.253 0.000 0.437 117 A N 0.189 122.971 122.820 -0.062 0.000 1.969 117 A HA -0.192 nan 4.320 nan 0.000 0.218 117 A C 1.780 179.221 177.584 -0.238 0.000 1.169 117 A CA 2.945 54.838 52.037 -0.241 0.000 0.635 117 A CB -0.834 17.983 19.000 -0.304 0.000 0.810 117 A HN -0.491 7.536 8.150 0.012 0.130 0.445 118 I N -1.802 118.623 120.570 -0.242 0.000 2.264 118 I HA -0.544 nan 4.170 nan 0.000 0.248 118 I C 1.632 177.639 176.117 -0.184 0.000 1.111 118 I CA 3.280 64.450 61.300 -0.216 0.000 1.382 118 I CB -0.371 37.477 38.000 -0.252 0.000 1.060 118 I HN -0.312 7.625 8.210 -0.258 0.118 0.418 119 A N -1.071 121.610 122.820 -0.231 0.000 1.874 119 A HA -0.164 nan 4.320 nan 0.000 0.214 119 A C 1.681 179.150 177.584 -0.192 0.000 1.189 119 A CA 2.543 54.467 52.037 -0.188 0.000 0.615 119 A CB -0.749 18.139 19.000 -0.187 0.000 0.830 119 A HN -0.742 7.218 8.150 -0.295 0.013 0.443 120 A N -1.167 121.541 122.820 -0.187 0.000 1.873 120 A HA -0.366 nan 4.320 nan 0.000 0.218 120 A C 2.198 179.624 177.584 -0.262 0.000 1.193 120 A CA 3.169 55.080 52.037 -0.211 0.000 0.629 120 A CB -0.654 18.230 19.000 -0.193 0.000 0.826 120 A HN 0.296 8.346 8.150 -0.167 0.000 0.447 121 S N -1.614 113.944 115.700 -0.237 0.000 2.442 121 S HA -0.305 nan 4.470 nan 0.000 0.236 121 S C 1.731 176.270 174.600 -0.102 0.000 1.007 121 S CA 3.612 61.688 58.200 -0.206 0.000 0.965 121 S CB -0.461 62.650 63.200 -0.147 0.000 0.773 121 S HN 0.124 8.295 8.310 -0.232 0.000 0.504 122 A N 1.623 124.402 122.820 -0.070 0.000 1.930 122 A HA -0.107 nan 4.320 nan 0.000 0.215 122 A C 1.805 179.244 177.584 -0.241 0.000 1.176 122 A CA 2.691 54.733 52.037 0.009 0.000 0.632 122 A CB -0.697 18.277 19.000 -0.042 0.000 0.819 122 A HN -0.776 7.155 8.150 -0.120 0.147 0.445 123 M N -0.609 118.785 119.600 -0.342 0.000 2.229 123 M HA -0.349 nan 4.480 nan 0.000 0.264 123 M C 2.002 178.061 176.300 -0.401 0.000 1.063 123 M CA 3.482 58.473 55.300 -0.515 0.000 1.114 123 M CB 0.163 32.360 32.600 -0.672 0.000 1.387 123 M HN -0.458 7.560 8.290 -0.308 0.088 0.420 124 L N -1.666 119.290 121.223 -0.445 0.000 2.072 124 L HA -0.325 nan 4.340 nan 0.000 0.205 124 L C 1.436 177.991 176.870 -0.526 0.000 1.079 124 L CA 2.742 57.167 54.840 -0.691 0.000 0.752 124 L CB -0.228 41.085 42.059 -1.243 0.000 0.906 124 L HN -0.186 7.692 8.230 -0.417 0.101 0.436 125 W N -0.416 120.654 121.300 -0.382 0.000 2.465 125 W HA -0.328 nan 4.660 nan 0.000 0.268 125 W C 0.413 176.920 176.519 -0.020 0.000 1.242 125 W CA 1.703 59.037 57.345 -0.017 0.000 1.248 125 W CB -0.620 28.863 29.460 0.038 0.000 1.118 125 W HN -0.109 7.940 8.180 -0.073 0.088 0.587 126 D N -1.433 118.840 120.400 -0.210 0.000 2.183 126 D HA -0.243 nan 4.640 nan 0.000 0.205 126 D C 2.230 178.489 176.300 -0.068 0.000 0.962 126 D CA 2.933 56.798 54.000 -0.224 0.000 0.849 126 D CB -0.187 40.516 40.800 -0.162 0.000 0.978 126 D HN -0.549 7.530 8.370 -0.239 0.148 0.488 127 S N 1.486 117.146 115.700 -0.067 0.000 2.345 127 S HA -0.226 nan 4.470 nan 0.000 0.220 127 S C 0.511 175.098 174.600 -0.022 0.000 1.031 127 S CA 2.222 60.398 58.200 -0.041 0.000 0.996 127 S CB 0.277 63.425 63.200 -0.086 0.000 0.882 127 S HN -0.452 7.672 8.310 -0.135 0.106 0.445 128 A N 0.651 123.499 122.820 0.047 0.000 2.586 128 A HA -0.137 nan 4.320 nan 0.000 0.231 128 A C -0.152 177.454 177.584 0.036 0.000 1.055 128 A CA 1.412 53.508 52.037 0.097 0.000 0.756 128 A CB 0.751 19.925 19.000 0.289 0.000 0.988 128 A HN -0.180 8.001 8.150 0.052 0.000 0.509 129 T N -6.653 107.891 114.554 -0.016 0.000 2.969 129 T HA 0.097 nan 4.350 nan 0.000 0.250 129 T C 0.134 174.836 174.700 0.002 0.000 1.021 129 T CA -0.186 61.895 62.100 -0.031 0.000 1.003 129 T CB 0.484 69.310 68.868 -0.070 0.000 1.040 129 T HN 0.483 8.700 8.240 -0.037 0.000 0.492 130 A N 2.361 125.188 122.820 0.012 0.000 2.409 130 A HA 0.232 nan 4.320 nan 0.000 0.262 130 A C 0.317 177.920 177.584 0.032 0.000 1.113 130 A CA -0.667 51.377 52.037 0.013 0.000 0.790 130 A CB 0.944 19.940 19.000 -0.007 0.000 1.046 130 A HN -0.311 7.842 8.150 0.005 0.000 0.496 131 A N 5.813 128.650 122.820 0.029 0.000 1.859 131 A HA -0.377 nan 4.320 nan 0.000 0.217 131 A C 2.273 179.846 177.584 -0.018 0.000 1.198 131 A CA 3.430 55.489 52.037 0.036 0.000 0.629 131 A CB -0.569 18.449 19.000 0.030 0.000 0.830 131 A HN 0.824 8.989 8.150 0.025 0.000 0.446 132 E N -1.599 118.561 120.200 -0.068 0.000 2.114 132 E HA -0.510 nan 4.350 nan 0.000 0.199 132 E C 2.244 178.812 176.600 -0.054 0.000 1.008 132 E CA 3.463 59.817 56.400 -0.078 0.000 0.810 132 E CB -0.489 29.173 29.700 -0.064 0.000 0.739 132 E HN -0.000 8.670 8.360 -0.074 -0.355 0.456 133 Q N -1.109 118.662 119.800 -0.048 0.000 2.119 133 Q HA -0.267 nan 4.340 nan 0.000 0.201 133 Q C 2.445 178.407 176.000 -0.063 0.000 0.972 133 Q CA 3.075 58.818 55.803 -0.100 0.000 0.847 133 Q CB -0.250 28.463 28.738 -0.042 0.000 0.903 133 Q HN 0.222 8.380 8.270 -0.028 0.095 0.433 134 K N -1.383 119.076 120.400 0.099 0.000 2.148 134 K HA -0.384 nan 4.320 nan 0.000 0.204 134 K C 2.374 178.949 176.600 -0.043 0.000 1.050 134 K CA 3.243 59.664 56.287 0.225 0.000 0.942 134 K CB -0.457 32.224 32.500 0.302 0.000 0.724 134 K HN -0.193 8.026 8.250 0.085 0.082 0.446 135 N N 0.024 118.670 118.700 -0.090 0.000 2.058 135 N HA -0.282 nan 4.740 nan 0.000 0.191 135 N C 2.203 177.635 175.510 -0.129 0.000 1.037 135 N CA 3.527 56.498 53.050 -0.131 0.000 0.848 135 N CB -0.343 38.110 38.487 -0.056 0.000 1.021 135 N HN -0.033 8.198 8.380 -0.049 0.120 0.422 136 G N -1.242 107.480 108.800 -0.131 0.000 2.469 136 G HA2 -0.337 nan 3.960 nan 0.000 0.219 136 G HA3 -0.337 nan 3.960 nan 0.000 0.219 136 G C 1.651 176.454 174.900 -0.161 0.000 1.150 136 G CA 2.358 47.370 45.100 -0.148 0.000 0.763 136 G HN -0.239 7.970 8.290 -0.135 0.000 0.561 137 Y N 1.670 121.930 120.300 -0.067 0.000 2.163 137 Y HA -0.204 nan 4.550 nan 0.000 0.288 137 Y C 2.197 177.994 175.900 -0.171 0.000 1.136 137 Y CA 1.925 59.975 58.100 -0.083 0.000 1.147 137 Y CB -0.412 38.066 38.460 0.030 0.000 0.987 137 Y HN -0.741 7.389 8.280 -0.231 0.011 0.509 138 L N -0.540 120.600 121.223 -0.139 0.000 2.043 138 L HA -0.516 nan 4.340 nan 0.000 0.212 138 L C 1.909 178.562 176.870 -0.362 0.000 1.075 138 L CA 3.077 57.650 54.840 -0.445 0.000 0.752 138 L CB -0.834 40.750 42.059 -0.792 0.000 0.891 138 L HN 0.311 8.466 8.230 -0.126 0.000 0.432 139 A N -2.106 120.537 122.820 -0.295 0.000 1.877 139 A HA -0.451 nan 4.320 nan 0.000 0.216 139 A C 1.724 179.162 177.584 -0.243 0.000 1.186 139 A CA 3.202 55.047 52.037 -0.321 0.000 0.620 139 A CB -1.016 17.904 19.000 -0.133 0.000 0.822 139 A HN 0.367 8.297 8.150 -0.230 0.082 0.443 140 Q N -1.108 118.576 119.800 -0.194 0.000 2.124 140 Q HA -0.313 nan 4.340 nan 0.000 0.202 140 Q C 2.274 178.102 176.000 -0.287 0.000 0.977 140 Q CA 3.243 58.843 55.803 -0.340 0.000 0.850 140 Q CB 0.036 28.508 28.738 -0.444 0.000 0.901 140 Q HN -0.399 7.700 8.270 -0.148 0.083 0.429 141 V N 1.473 121.264 119.914 -0.205 0.000 2.343 141 V HA -0.391 nan 4.120 nan 0.000 0.247 141 V C 2.359 178.357 176.094 -0.159 0.000 1.051 141 V CA 4.536 66.745 62.300 -0.151 0.000 1.036 141 V CB -0.866 30.923 31.823 -0.058 0.000 0.654 141 V HN 0.306 8.157 8.190 -0.185 0.228 0.451 142 L N -1.713 119.374 121.223 -0.227 0.000 2.056 142 L HA -0.364 nan 4.340 nan 0.000 0.207 142 L C 2.111 178.962 176.870 -0.031 0.000 1.078 142 L CA 3.058 57.794 54.840 -0.172 0.000 0.749 142 L CB -1.875 39.890 42.059 -0.490 0.000 0.901 142 L HN -0.205 7.837 8.230 -0.314 0.000 0.433 143 D N -0.406 119.971 120.400 -0.038 0.000 2.133 143 D HA -0.343 nan 4.640 nan 0.000 0.195 143 D C 2.764 178.857 176.300 -0.345 0.000 0.997 143 D CA 3.630 57.579 54.000 -0.085 0.000 0.840 143 D CB -0.664 40.175 40.800 0.065 0.000 0.947 143 D HN 0.008 8.312 8.370 -0.111 0.000 0.452 144 E N -1.021 119.034 120.200 -0.242 0.000 2.150 144 E HA -0.236 nan 4.350 nan 0.000 0.193 144 E C 2.554 179.094 176.600 -0.099 0.000 0.985 144 E CA 2.288 58.572 56.400 -0.193 0.000 0.814 144 E CB -0.527 29.068 29.700 -0.176 0.000 0.752 144 E HN 0.032 8.260 8.360 -0.210 0.006 0.466 145 I N 0.290 120.806 120.570 -0.090 0.000 2.179 145 I HA -0.523 nan 4.170 nan 0.000 0.242 145 I C 1.564 177.626 176.117 -0.091 0.000 1.088 145 I CA 4.046 65.280 61.300 -0.111 0.000 1.357 145 I CB -0.353 37.619 38.000 -0.046 0.000 1.051 145 I HN -0.634 7.436 8.210 -0.093 0.084 0.409 146 R N -0.371 120.164 120.500 0.058 0.000 2.096 146 R HA -0.505 nan 4.340 nan 0.000 0.240 146 R C 2.277 178.774 176.300 0.328 0.000 1.139 146 R CA 3.922 60.152 56.100 0.217 0.000 0.952 146 R CB -0.226 30.217 30.300 0.238 0.000 0.854 146 R HN -0.233 8.057 8.270 0.034 0.000 0.436 147 H N -2.725 116.413 119.070 0.115 0.000 2.462 147 H HA -0.134 nan 4.556 nan 0.000 0.292 147 H C 2.545 177.978 175.328 0.175 0.000 1.049 147 H CA 2.332 58.459 56.048 0.132 0.000 1.334 147 H CB -0.026 29.788 29.762 0.086 0.000 1.404 147 H HN -0.193 8.135 8.280 0.080 0.000 0.544 148 T N 2.985 117.684 114.554 0.241 0.000 2.701 148 T HA -0.293 nan 4.350 nan 0.000 0.263 148 T C 1.835 176.713 174.700 0.297 0.000 1.040 148 T CA 5.658 67.894 62.100 0.228 0.000 1.147 148 T CB -0.562 68.392 68.868 0.143 0.000 0.865 148 T HN -0.080 8.160 8.240 0.151 0.090 0.426 149 H N 1.042 120.288 119.070 0.293 0.000 2.489 149 H HA -0.291 nan 4.556 nan 0.000 0.293 149 H C 2.716 178.282 175.328 0.397 0.000 1.066 149 H CA 2.669 58.903 56.048 0.310 0.000 1.305 149 H CB -0.111 29.823 29.762 0.287 0.000 1.386 149 H HN -0.112 8.205 8.280 0.063 0.000 0.551 150 Q N -0.101 119.983 119.800 0.474 0.000 2.096 150 Q HA -0.211 nan 4.340 nan 0.000 0.197 150 Q C 2.228 178.500 176.000 0.453 0.000 0.964 150 Q CA 3.212 59.273 55.803 0.429 0.000 0.838 150 Q CB 0.144 29.058 28.738 0.293 0.000 0.906 150 Q HN -0.202 8.187 8.270 0.421 0.133 0.444 151 C N -0.392 119.160 119.300 0.420 0.000 2.440 151 C HA -0.255 nan 4.460 nan 0.000 0.278 151 C C 1.825 177.031 174.990 0.360 0.000 1.295 151 C CA 3.981 63.246 59.018 0.412 0.000 1.738 151 C CB -1.609 26.364 27.740 0.388 0.000 1.987 151 C HN 0.091 8.480 8.230 0.392 0.076 0.492 152 A N -0.251 122.779 122.820 0.349 0.000 1.930 152 A HA -0.249 nan 4.320 nan 0.000 0.217 152 A C 1.362 179.122 177.584 0.294 0.000 1.175 152 A CA 3.127 55.328 52.037 0.273 0.000 0.627 152 A CB -0.977 18.166 19.000 0.239 0.000 0.815 152 A HN 0.115 8.489 8.150 0.374 0.000 0.443 153 F N -0.419 119.721 119.950 0.316 0.000 2.161 153 F HA -0.387 nan 4.527 nan 0.000 0.300 153 F C 1.585 177.596 175.800 0.351 0.000 1.089 153 F CA 4.117 62.348 58.000 0.386 0.000 1.282 153 F CB 0.268 39.525 39.000 0.429 0.000 1.010 153 F HN -0.554 8.017 8.300 0.587 0.081 0.485 154 I N -1.161 119.669 120.570 0.433 0.000 2.127 154 I HA -0.726 nan 4.170 nan 0.000 0.241 154 I C 1.757 178.073 176.117 0.332 0.000 1.075 154 I CA 4.489 65.990 61.300 0.336 0.000 1.334 154 I CB -0.639 37.510 38.000 0.249 0.000 1.040 154 I HN -0.385 8.095 8.210 0.451 0.000 0.405 155 N N -0.819 118.045 118.700 0.274 0.000 2.244 155 N HA -0.291 nan 4.740 nan 0.000 0.183 155 N C 2.454 178.077 175.510 0.188 0.000 1.016 155 N CA 3.247 56.436 53.050 0.232 0.000 0.866 155 N CB -0.398 38.238 38.487 0.249 0.000 0.980 155 N HN -0.691 7.854 8.380 0.275 0.000 0.430 156 H N 3.316 122.398 119.070 0.020 0.000 2.293 156 H HA -0.288 nan 4.556 nan 0.000 0.300 156 H C 1.796 177.061 175.328 -0.106 0.000 1.082 156 H CA 3.719 59.698 56.048 -0.115 0.000 1.308 156 H CB 0.061 29.632 29.762 -0.318 0.000 1.375 156 H HN 0.095 8.500 8.280 0.241 0.020 0.495 157 Y N 0.081 120.223 120.300 -0.265 0.000 2.145 157 Y HA -0.539 nan 4.550 nan 0.000 0.286 157 Y C 1.992 177.792 175.900 -0.166 0.000 1.145 157 Y CA 4.066 62.018 58.100 -0.247 0.000 1.148 157 Y CB -0.049 38.406 38.460 -0.009 0.000 0.981 157 Y HN 0.126 8.367 8.280 0.114 0.107 0.507 158 Y N -2.639 117.676 120.300 0.024 0.000 2.333 158 Y HA -0.493 nan 4.550 nan 0.000 0.290 158 Y C 2.351 178.136 175.900 -0.192 0.000 1.144 158 Y CA 4.084 62.068 58.100 -0.193 0.000 1.228 158 Y CB -0.530 37.446 38.460 -0.806 0.000 0.985 158 Y HN 0.185 8.653 8.280 0.314 0.000 0.542 159 S N -0.440 115.258 115.700 -0.004 0.000 2.383 159 S HA -0.232 nan 4.470 nan 0.000 0.227 159 S C 1.115 175.632 174.600 -0.139 0.000 1.026 159 S CA 3.219 61.420 58.200 0.002 0.000 0.981 159 S CB -0.296 62.918 63.200 0.023 0.000 0.818 159 S HN -0.050 8.116 8.310 0.001 0.145 0.472 160 K N -0.978 119.187 120.400 -0.393 0.000 2.103 160 K HA -0.196 nan 4.320 nan 0.000 0.204 160 K C 1.517 177.667 176.600 -0.750 0.000 1.052 160 K CA 2.589 58.448 56.287 -0.714 0.000 0.945 160 K CB 0.561 32.333 32.500 -1.214 0.000 0.722 160 K HN -0.607 7.285 8.250 -0.412 0.110 0.443 161 H N -6.942 112.002 119.070 -0.210 0.000 3.046 161 H HA 0.187 nan 4.556 nan 0.000 0.262 161 H C -0.579 174.773 175.328 0.040 0.000 1.044 161 H CA -0.345 55.622 56.048 -0.135 0.000 1.209 161 H CB 1.554 31.151 29.762 -0.275 0.000 1.507 161 H HN -0.654 7.334 8.280 -0.485 0.000 0.507 162 Y N 1.534 121.864 120.300 0.049 0.000 2.301 162 Y HA -0.091 nan 4.550 nan 0.000 0.328 162 Y C 0.845 176.812 175.900 0.112 0.000 1.242 162 Y CA -0.071 58.103 58.100 0.125 0.000 1.323 162 Y CB 1.544 40.175 38.460 0.285 0.000 1.266 162 Y HN -0.410 8.004 8.280 0.222 0.000 0.527 163 H N 2.544 121.277 119.070 -0.561 0.000 2.456 163 H HA -0.275 nan 4.556 nan 0.000 0.296 163 H C -0.937 174.181 175.328 -0.349 0.000 1.079 163 H CA 1.161 56.960 56.048 -0.415 0.000 1.322 163 H CB 0.349 29.895 29.762 -0.360 0.000 1.388 163 H HN 0.133 8.138 8.280 -0.677 -0.130 0.538 164 D N -1.096 118.885 120.400 -0.699 0.000 2.408 164 D HA 0.325 nan 4.640 nan 0.000 0.261 164 D C -1.247 175.186 176.300 0.221 0.000 1.190 164 D CA -3.664 50.244 54.000 -0.153 0.000 0.910 164 D CB 0.539 41.253 40.800 -0.145 0.000 1.097 164 D HN -0.358 6.987 8.370 -1.656 0.032 0.522 165 P HA 0.007 nan 4.420 nan 0.000 0.231 165 P C -1.108 176.297 177.300 0.175 0.000 1.168 165 P CA 0.184 63.415 63.100 0.218 0.000 0.779 165 P CB 0.806 32.567 31.700 0.102 0.000 0.844 166 A N -2.686 120.201 122.820 0.111 0.000 2.462 166 A HA -0.111 nan 4.320 nan 0.000 0.243 166 A C 0.305 177.926 177.584 0.062 0.000 1.076 166 A CA 1.055 53.132 52.037 0.067 0.000 0.773 166 A CB 0.202 19.232 19.000 0.050 0.000 1.010 166 A HN -0.772 7.526 8.150 0.098 -0.089 0.493 167 G N 3.337 112.162 108.800 0.040 0.000 2.729 167 G HA2 -0.498 nan 3.960 nan 0.000 0.216 167 G HA3 -0.498 nan 3.960 nan 0.000 0.216 167 G C 0.916 175.819 174.900 0.004 0.000 1.252 167 G CA 1.107 46.247 45.100 0.066 0.000 0.751 167 G HN 0.318 8.939 8.290 0.018 -0.320 0.527 168 H N 4.525 123.614 119.070 0.032 0.000 2.428 168 H HA -0.037 nan 4.556 nan 0.000 0.296 168 H C 1.444 176.769 175.328 -0.005 0.000 1.062 168 H CA 3.015 59.061 56.048 -0.003 0.000 1.350 168 H CB 0.071 29.837 29.762 0.007 0.000 1.403 168 H HN -0.296 7.937 8.280 0.062 0.084 0.533 169 N N -1.988 116.778 118.700 0.111 0.000 2.461 169 N HA -0.089 nan 4.740 nan 0.000 0.188 169 N C -0.459 175.029 175.510 -0.037 0.000 1.134 169 N CA 0.896 53.969 53.050 0.039 0.000 0.878 169 N CB -0.177 38.330 38.487 0.033 0.000 0.972 169 N HN 0.010 8.445 8.380 0.120 0.017 0.456 170 D N -5.352 114.993 120.400 -0.090 0.000 2.619 170 D HA 0.048 nan 4.640 nan 0.000 0.300 170 D C 0.403 176.516 176.300 -0.311 0.000 1.502 170 D CA 0.193 54.093 54.000 -0.167 0.000 0.865 170 D CB -0.933 39.781 40.800 -0.144 0.000 1.343 170 D HN -0.736 7.425 8.370 -0.079 0.161 0.447 171 A N 1.075 123.636 122.820 -0.433 0.000 1.997 171 A HA -0.423 nan 4.320 nan 0.000 0.221 171 A C 1.109 178.294 177.584 -0.665 0.000 1.172 171 A CA 3.253 54.769 52.037 -0.869 0.000 0.645 171 A CB -0.537 17.898 19.000 -0.943 0.000 0.813 171 A HN -0.520 7.449 8.150 -0.302 0.000 0.454 172 R N -4.397 115.863 120.500 -0.400 0.000 2.377 172 R HA -0.248 nan 4.340 nan 0.000 0.207 172 R C 1.550 177.660 176.300 -0.316 0.000 1.075 172 R CA 2.124 58.024 56.100 -0.333 0.000 1.035 172 R CB -0.422 29.759 30.300 -0.198 0.000 0.857 172 R HN 0.062 8.116 8.270 -0.310 0.031 0.475 173 R N -1.415 118.883 120.500 -0.336 0.000 2.551 173 R HA 0.083 nan 4.340 nan 0.000 0.202 173 R C 1.528 177.667 176.300 -0.268 0.000 0.861 173 R CA 1.646 57.601 56.100 -0.240 0.000 1.018 173 R CB 1.451 31.649 30.300 -0.170 0.000 1.435 173 R HN 0.105 7.941 8.270 -0.388 0.201 0.659 174 T N -1.093 113.238 114.554 -0.372 0.000 3.118 174 T HA 0.109 nan 4.350 nan 0.000 0.260 174 T C 1.948 176.393 174.700 -0.424 0.000 1.139 174 T CA 2.320 64.218 62.100 -0.337 0.000 1.085 174 T CB -0.747 67.941 68.868 -0.299 0.000 0.934 174 T HN 0.117 8.030 8.240 -0.432 0.067 0.518 175 R N 0.707 120.795 120.500 -0.686 0.000 2.153 175 R HA -0.129 nan 4.340 nan 0.000 0.218 175 R C 1.346 177.418 176.300 -0.380 0.000 1.072 175 R CA 2.363 58.105 56.100 -0.597 0.000 0.990 175 R CB -0.854 28.778 30.300 -1.113 0.000 0.889 175 R HN 0.221 7.987 8.270 -0.751 0.054 0.452 176 A N -1.471 121.157 122.820 -0.319 0.000 2.125 176 A HA -0.176 nan 4.320 nan 0.000 0.219 176 A C 0.601 178.265 177.584 0.133 0.000 1.156 176 A CA 2.059 54.118 52.037 0.037 0.000 0.671 176 A CB -0.849 18.165 19.000 0.024 0.000 0.794 176 A HN -0.575 7.324 8.150 -0.382 0.022 0.459 177 I N -3.528 117.093 120.570 0.085 0.000 2.193 177 I HA -0.241 nan 4.170 nan 0.000 0.240 177 I C 0.881 177.097 176.117 0.165 0.000 1.084 177 I CA 1.165 62.532 61.300 0.111 0.000 1.365 177 I CB 0.313 38.332 38.000 0.031 0.000 1.064 177 I HN -0.826 7.345 8.210 0.020 0.051 0.410 178 G N -3.462 105.441 108.800 0.172 0.000 2.488 178 G HA2 0.364 nan 3.960 nan 0.000 0.318 178 G HA3 0.364 nan 3.960 nan 0.000 0.318 178 G C -1.532 173.451 174.900 0.139 0.000 1.188 178 G CA -2.021 43.162 45.100 0.139 0.000 0.944 178 G HN -0.626 7.787 8.290 0.205 0.000 0.495 179 P HA -0.218 nan 4.420 nan 0.000 0.215 179 P C 1.582 178.925 177.300 0.072 0.000 1.157 179 P CA 2.045 65.143 63.100 -0.003 0.000 0.868 179 P CB 0.258 31.916 31.700 -0.070 0.000 0.788 180 L N -3.417 117.896 121.223 0.151 0.000 2.189 180 L HA -0.280 nan 4.340 nan 0.000 0.214 180 L C 2.264 179.288 176.870 0.256 0.000 1.097 180 L CA 2.178 57.169 54.840 0.253 0.000 0.764 180 L CB -0.822 41.434 42.059 0.328 0.000 0.900 180 L HN -0.113 8.195 8.230 0.129 0.000 0.436 181 W N -0.832 120.515 121.300 0.077 0.000 2.358 181 W HA -0.444 nan 4.660 nan 0.000 0.303 181 W C 0.904 177.250 176.519 -0.289 0.000 1.208 181 W CA 2.410 59.674 57.345 -0.134 0.000 1.274 181 W CB 0.187 29.686 29.460 0.065 0.000 1.138 181 W HN -0.695 7.728 8.180 0.458 0.032 0.515 182 K N -2.709 117.445 120.400 -0.409 0.000 2.057 182 K HA -0.333 nan 4.320 nan 0.000 0.207 182 K C 2.462 178.688 176.600 -0.623 0.000 1.049 182 K CA 3.032 58.980 56.287 -0.565 0.000 0.931 182 K CB -0.724 31.598 32.500 -0.298 0.000 0.714 182 K HN -0.369 7.710 8.250 -0.116 0.101 0.440 183 G N -1.263 107.222 108.800 -0.525 0.000 2.459 183 G HA2 -0.325 nan 3.960 nan 0.000 0.217 183 G HA3 -0.325 nan 3.960 nan 0.000 0.217 183 G C 1.092 175.109 174.900 -1.472 0.000 1.183 183 G CA 1.871 46.508 45.100 -0.770 0.000 0.776 183 G HN -0.692 7.416 8.290 -0.303 0.000 0.552 184 M N 1.607 120.169 119.600 -1.729 0.000 2.144 184 M HA -0.370 nan 4.480 nan 0.000 0.260 184 M C 1.748 177.433 176.300 -1.025 0.000 1.067 184 M CA 2.449 56.860 55.300 -1.482 0.000 1.095 184 M CB -0.275 31.603 32.600 -1.204 0.000 1.365 184 M HN -0.644 6.864 8.290 -1.303 0.000 0.406 185 K N -1.994 117.760 120.400 -1.078 0.000 2.057 185 K HA -0.378 nan 4.320 nan 0.000 0.207 185 K C 1.860 178.122 176.600 -0.563 0.000 1.049 185 K CA 3.704 59.490 56.287 -0.835 0.000 0.931 185 K CB -0.338 31.615 32.500 -0.912 0.000 0.714 185 K HN -0.465 6.940 8.250 -1.227 0.108 0.440 186 R N -0.544 119.615 120.500 -0.568 0.000 2.070 186 R HA -0.226 nan 4.340 nan 0.000 0.232 186 R C 2.220 178.287 176.300 -0.388 0.000 1.138 186 R CA 3.216 59.083 56.100 -0.389 0.000 0.936 186 R CB -0.142 29.963 30.300 -0.324 0.000 0.839 186 R HN -0.423 7.331 8.270 -0.682 0.106 0.429 187 V N -4.102 115.492 119.914 -0.534 0.000 2.270 187 V HA -0.190 nan 4.120 nan 0.000 0.245 187 V C 2.015 177.890 176.094 -0.365 0.000 1.043 187 V CA 3.756 65.795 62.300 -0.435 0.000 1.014 187 V CB -0.599 30.809 31.823 -0.691 0.000 0.645 187 V HN -0.451 7.306 8.190 -0.722 0.000 0.447 188 F N -2.910 116.594 119.950 -0.742 0.000 2.693 188 F HA 0.298 nan 4.527 nan 0.000 0.303 188 F C -0.871 174.548 175.800 -0.635 0.000 1.097 188 F CA -2.180 55.305 58.000 -0.858 0.000 1.330 188 F CB -0.801 38.055 39.000 -0.240 0.000 1.067 188 F HN -0.028 8.014 8.300 -0.430 0.000 0.565 189 A N -0.438 122.168 122.820 -0.357 0.000 1.922 189 A HA 0.147 nan 4.320 nan 0.000 0.192 189 A C 1.750 179.245 177.584 -0.150 0.000 2.007 189 A CA 0.760 52.696 52.037 -0.167 0.000 1.054 189 A CB 0.645 19.556 19.000 -0.149 0.000 1.106 189 A HN -0.533 7.327 8.150 -0.404 0.047 0.639 190 D N 0.777 121.071 120.400 -0.177 0.000 2.117 190 D HA -0.245 nan 4.640 nan 0.000 0.198 190 D C 2.334 178.589 176.300 -0.074 0.000 0.982 190 D CA 3.914 57.848 54.000 -0.110 0.000 0.828 190 D CB 0.185 40.916 40.800 -0.115 0.000 0.967 190 D HN 0.334 8.562 8.370 -0.236 0.000 0.464 191 G N -1.715 107.008 108.800 -0.129 0.000 2.498 191 G HA2 -0.203 nan 3.960 nan 0.000 0.219 191 G HA3 -0.203 nan 3.960 nan 0.000 0.219 191 G C 0.232 175.219 174.900 0.144 0.000 1.119 191 G CA 1.417 46.498 45.100 -0.032 0.000 0.766 191 G HN 0.326 8.482 8.290 -0.223 0.000 0.552 192 F N -2.942 117.001 119.950 -0.012 0.000 2.619 192 F HA 0.033 nan 4.527 nan 0.000 0.293 192 F C 0.230 175.975 175.800 -0.091 0.000 1.119 192 F CA -0.766 57.203 58.000 -0.053 0.000 1.445 192 F CB 1.405 40.352 39.000 -0.089 0.000 1.119 192 F HN -0.791 7.440 8.300 -0.042 0.044 0.573 193 I N -8.460 112.164 120.570 0.090 0.000 4.456 193 I HA 0.157 nan 4.170 nan 0.000 0.329 193 I C -0.068 176.021 176.117 -0.047 0.000 1.313 193 I CA -0.268 61.020 61.300 -0.020 0.000 1.205 193 I CB 2.360 40.337 38.000 -0.038 0.000 1.179 193 I HN -0.800 7.344 8.210 0.074 0.110 0.419 194 S N 3.036 118.723 115.700 -0.022 0.000 2.474 194 S HA 0.162 nan 4.470 nan 0.000 0.320 194 S C -0.746 173.840 174.600 -0.023 0.000 1.067 194 S CA 0.086 58.267 58.200 -0.031 0.000 1.127 194 S CB -0.016 63.156 63.200 -0.046 0.000 0.971 194 S HN -0.051 8.255 8.310 -0.005 0.000 0.472 195 G N 4.053 112.842 108.800 -0.018 0.000 2.325 195 G HA2 -0.228 nan 3.960 nan 0.000 0.285 195 G HA3 -0.228 nan 3.960 nan 0.000 0.285 195 G C -2.012 172.892 174.900 0.006 0.000 1.303 195 G CA -0.384 44.714 45.100 -0.004 0.000 0.970 195 G HN -0.442 7.835 8.290 -0.022 0.000 0.490 196 D N 2.188 122.602 120.400 0.024 0.000 2.531 196 D HA -0.142 nan 4.640 nan 0.000 0.239 196 D C 1.132 177.446 176.300 0.024 0.000 1.144 196 D CA 0.720 54.747 54.000 0.045 0.000 0.869 196 D CB 0.967 41.819 40.800 0.085 0.000 1.160 196 D HN 0.200 8.585 8.370 0.025 0.000 0.484 197 A N 6.780 129.599 122.820 -0.001 0.000 1.927 197 A HA -0.383 nan 4.320 nan 0.000 0.220 197 A C 2.040 179.581 177.584 -0.070 0.000 1.185 197 A CA 3.287 55.275 52.037 -0.080 0.000 0.639 197 A CB -0.219 18.720 19.000 -0.102 0.000 0.820 197 A HN 0.715 8.883 8.150 0.030 0.000 0.451 198 V N -1.542 118.349 119.914 -0.039 0.000 2.343 198 V HA -0.466 nan 4.120 nan 0.000 0.247 198 V C 1.744 177.826 176.094 -0.019 0.000 1.051 198 V CA 4.527 66.763 62.300 -0.107 0.000 1.036 198 V CB -0.863 30.754 31.823 -0.344 0.000 0.654 198 V HN -0.328 8.035 8.190 0.021 -0.161 0.451 199 E N 0.048 120.282 120.200 0.056 0.000 2.077 199 E HA -0.359 nan 4.350 nan 0.000 0.193 199 E C 1.992 178.653 176.600 0.102 0.000 0.989 199 E CA 3.372 59.835 56.400 0.105 0.000 0.800 199 E CB -0.098 29.674 29.700 0.120 0.000 0.746 199 E HN -0.374 7.933 8.360 0.073 0.097 0.452 200 C N -0.515 118.820 119.300 0.058 0.000 2.422 200 C HA -0.237 nan 4.460 nan 0.000 0.279 200 C C 2.495 177.505 174.990 0.032 0.000 1.305 200 C CA 4.019 63.072 59.018 0.059 0.000 1.757 200 C CB -2.113 25.616 27.740 -0.018 0.000 1.962 200 C HN 0.493 8.742 8.230 0.032 0.000 0.499 201 S N 0.136 115.829 115.700 -0.013 0.000 2.345 201 S HA -0.237 nan 4.470 nan 0.000 0.220 201 S C 1.671 176.310 174.600 0.065 0.000 1.031 201 S CA 3.807 61.996 58.200 -0.020 0.000 0.996 201 S CB -0.145 63.029 63.200 -0.042 0.000 0.882 201 S HN 0.113 8.177 8.310 -0.024 0.232 0.445 202 V N 2.361 122.339 119.914 0.106 0.000 2.332 202 V HA -0.496 nan 4.120 nan 0.000 0.248 202 V C 1.979 178.220 176.094 0.246 0.000 1.055 202 V CA 4.484 66.901 62.300 0.194 0.000 1.038 202 V CB -1.035 30.914 31.823 0.209 0.000 0.651 202 V HN 0.539 8.665 8.190 0.073 0.107 0.450 203 N N -0.999 117.846 118.700 0.243 0.000 2.104 203 N HA -0.270 nan 4.740 nan 0.000 0.190 203 N C 2.454 178.213 175.510 0.416 0.000 1.024 203 N CA 3.351 56.604 53.050 0.338 0.000 0.853 203 N CB -0.031 38.662 38.487 0.344 0.000 1.008 203 N HN 0.034 8.416 8.380 0.198 0.117 0.424 204 L N -0.115 121.209 121.223 0.169 0.000 2.062 204 L HA -0.106 nan 4.340 nan 0.000 0.202 204 L C 1.341 178.120 176.870 -0.153 0.000 1.079 204 L CA 3.155 57.800 54.840 -0.325 0.000 0.755 204 L CB 0.030 41.608 42.059 -0.800 0.000 0.913 204 L HN -0.196 8.105 8.230 0.118 0.000 0.445 205 Q N -1.544 118.226 119.800 -0.050 0.000 1.961 205 Q HA -0.263 nan 4.340 nan 0.000 0.197 205 Q C 2.730 178.824 176.000 0.156 0.000 0.977 205 Q CA 3.564 59.396 55.803 0.048 0.000 0.830 205 Q CB 0.020 28.818 28.738 0.100 0.000 0.896 205 Q HN 0.072 8.318 8.270 -0.040 0.000 0.437 206 L N -2.237 119.151 121.223 0.276 0.000 2.191 206 L HA -0.315 nan 4.340 nan 0.000 0.212 206 L C 1.736 178.902 176.870 0.493 0.000 1.103 206 L CA 3.725 58.852 54.840 0.478 0.000 0.769 206 L CB -0.365 42.002 42.059 0.514 0.000 0.908 206 L HN -0.516 7.856 8.230 0.237 0.000 0.438 207 V N -4.203 115.899 119.914 0.314 0.000 2.948 207 V HA 0.104 nan 4.120 nan 0.000 0.234 207 V C 2.485 178.666 176.094 0.145 0.000 1.205 207 V CA 2.887 65.273 62.300 0.145 0.000 1.234 207 V CB -0.212 31.774 31.823 0.272 0.000 1.020 207 V HN -0.045 8.298 8.190 0.290 0.021 0.491 208 G N 0.905 109.894 108.800 0.314 0.000 2.587 208 G HA2 -0.370 nan 3.960 nan 0.000 0.217 208 G HA3 -0.370 nan 3.960 nan 0.000 0.217 208 G C 1.063 176.082 174.900 0.198 0.000 1.240 208 G CA 2.681 48.038 45.100 0.428 0.000 0.794 208 G HN -0.263 8.223 8.290 0.325 0.000 0.580 209 E N 2.269 122.486 120.200 0.027 0.000 2.046 209 E HA -0.264 nan 4.350 nan 0.000 0.190 209 E C 2.717 179.202 176.600 -0.191 0.000 0.982 209 E CA 2.746 59.106 56.400 -0.066 0.000 0.800 209 E CB 0.044 29.712 29.700 -0.053 0.000 0.756 209 E HN 0.167 8.533 8.360 0.012 0.000 0.449 210 A N -1.136 121.532 122.820 -0.253 0.000 1.930 210 A HA -0.173 nan 4.320 nan 0.000 0.217 210 A C 1.323 178.613 177.584 -0.491 0.000 1.175 210 A CA 2.816 54.531 52.037 -0.537 0.000 0.627 210 A CB -0.331 18.178 19.000 -0.820 0.000 0.815 210 A HN 0.151 8.217 8.150 -0.139 0.000 0.443 211 C N -4.568 114.387 119.300 -0.574 0.000 2.558 211 C HA 0.106 nan 4.460 nan 0.000 0.288 211 C C 0.635 175.022 174.990 -1.005 0.000 1.338 211 C CA 1.168 59.577 59.018 -1.016 0.000 1.760 211 C CB 0.495 27.124 27.740 -1.853 0.000 2.159 211 C HN -0.093 7.769 8.230 -0.411 0.121 0.518 212 F N -2.351 117.408 119.950 -0.317 0.000 2.539 212 F HA 0.174 nan 4.527 nan 0.000 0.277 212 F C 1.624 177.232 175.800 -0.320 0.000 0.925 212 F CA 2.589 60.414 58.000 -0.292 0.000 1.193 212 F CB 0.246 39.075 39.000 -0.284 0.000 1.128 212 F HN -0.259 7.812 8.300 -0.210 0.104 0.740 213 T N 2.723 117.290 114.554 0.022 0.000 2.570 213 T HA -0.531 nan 4.350 nan 0.000 0.266 213 T C 1.749 176.355 174.700 -0.156 0.000 1.071 213 T CA 5.132 67.223 62.100 -0.015 0.000 1.172 213 T CB -0.783 68.096 68.868 0.018 0.000 0.864 213 T HN 0.381 8.592 8.240 0.131 0.108 0.421 214 N N 0.539 119.110 118.700 -0.214 0.000 2.027 214 N HA -0.237 nan 4.740 nan 0.000 0.200 214 N C 0.037 175.355 175.510 -0.320 0.000 1.042 214 N CA 4.724 57.620 53.050 -0.256 0.000 0.871 214 N CB -1.189 37.129 38.487 -0.281 0.000 1.063 214 N HN -0.443 7.821 8.380 -0.194 0.000 0.438 215 P HA -0.135 nan 4.420 nan 0.000 0.221 215 P C 1.106 178.091 177.300 -0.525 0.000 1.150 215 P CA 2.015 64.680 63.100 -0.725 0.000 0.800 215 P CB -0.190 30.576 31.700 -1.557 0.000 0.787 216 L N 0.124 121.075 121.223 -0.455 0.000 2.017 216 L HA -0.299 nan 4.340 nan 0.000 0.208 216 L C 1.987 179.016 176.870 0.264 0.000 1.073 216 L CA 3.347 58.273 54.840 0.143 0.000 0.745 216 L CB -0.295 41.885 42.059 0.201 0.000 0.894 216 L HN -0.001 7.801 8.230 -0.546 0.101 0.432 217 I N -2.081 118.531 120.570 0.070 0.000 2.454 217 I HA -0.471 nan 4.170 nan 0.000 0.254 217 I C 1.876 178.129 176.117 0.226 0.000 1.156 217 I CA 4.143 65.481 61.300 0.064 0.000 1.433 217 I CB -0.254 37.586 38.000 -0.267 0.000 1.082 217 I HN 0.336 8.411 8.210 -0.055 0.102 0.432 218 V N -0.584 119.416 119.914 0.143 0.000 2.446 218 V HA -0.327 nan 4.120 nan 0.000 0.244 218 V C 1.465 177.705 176.094 0.243 0.000 1.039 218 V CA 3.826 66.217 62.300 0.152 0.000 1.045 218 V CB -0.802 31.057 31.823 0.061 0.000 0.681 218 V HN -0.724 7.377 8.190 0.056 0.122 0.459 219 A N -0.661 122.365 122.820 0.344 0.000 2.019 219 A HA -0.257 nan 4.320 nan 0.000 0.219 219 A C 1.982 179.850 177.584 0.474 0.000 1.164 219 A CA 3.287 55.583 52.037 0.431 0.000 0.644 219 A CB -0.778 18.607 19.000 0.643 0.000 0.805 219 A HN -0.051 8.227 8.150 0.327 0.068 0.449 220 V N -2.447 117.800 119.914 0.556 0.000 2.379 220 V HA -0.427 nan 4.120 nan 0.000 0.245 220 V C 1.684 178.035 176.094 0.429 0.000 1.044 220 V CA 4.848 67.545 62.300 0.661 0.000 1.036 220 V CB -1.063 31.234 31.823 0.789 0.000 0.664 220 V HN 0.347 8.830 8.190 0.538 0.030 0.453 221 T N -2.867 111.878 114.554 0.320 0.000 2.881 221 T HA -0.334 nan 4.350 nan 0.000 0.270 221 T C 2.133 176.859 174.700 0.044 0.000 1.068 221 T CA 3.890 66.083 62.100 0.156 0.000 1.131 221 T CB -0.979 67.970 68.868 0.135 0.000 0.871 221 T HN -0.446 8.015 8.240 0.368 0.000 0.479 222 E N 2.249 122.479 120.200 0.049 0.000 2.028 222 E HA -0.198 nan 4.350 nan 0.000 0.190 222 E C 2.009 178.453 176.600 -0.261 0.000 0.984 222 E CA 3.280 59.614 56.400 -0.111 0.000 0.800 222 E CB -0.411 29.213 29.700 -0.127 0.000 0.758 222 E HN -0.699 7.634 8.360 0.146 0.115 0.448 223 W N -0.828 120.295 121.300 -0.294 0.000 2.392 223 W HA -0.270 nan 4.660 nan 0.000 0.279 223 W C 1.972 177.884 176.519 -1.011 0.000 1.225 223 W CA 3.233 60.238 57.345 -0.566 0.000 1.233 223 W CB -0.362 28.810 29.460 -0.480 0.000 1.122 223 W HN -0.175 8.124 8.180 0.198 0.000 0.561 224 A N -1.755 120.727 122.820 -0.563 0.000 1.831 224 A HA -0.234 nan 4.320 nan 0.000 0.213 224 A C 2.061 179.450 177.584 -0.325 0.000 1.223 224 A CA 2.678 54.377 52.037 -0.563 0.000 0.604 224 A CB -0.718 18.279 19.000 -0.004 0.000 0.878 224 A HN 0.215 8.132 8.150 -0.193 0.117 0.450 225 S N 0.308 115.901 115.700 -0.180 0.000 2.407 225 S HA -0.352 nan 4.470 nan 0.000 0.235 225 S C 2.330 176.821 174.600 -0.181 0.000 1.036 225 S CA 3.279 61.396 58.200 -0.138 0.000 1.013 225 S CB -0.442 62.689 63.200 -0.114 0.000 0.820 225 S HN -0.101 8.129 8.310 -0.134 0.000 0.476 226 A N 1.458 124.126 122.820 -0.254 0.000 2.015 226 A HA -0.100 nan 4.320 nan 0.000 0.219 226 A C 1.153 178.645 177.584 -0.153 0.000 1.163 226 A CA 2.200 54.079 52.037 -0.263 0.000 0.646 226 A CB -0.278 18.521 19.000 -0.335 0.000 0.806 226 A HN -0.318 7.649 8.150 -0.298 0.004 0.448 227 N N -2.725 115.900 118.700 -0.125 0.000 2.321 227 N HA 0.156 nan 4.740 nan 0.000 0.242 227 N C -0.713 174.904 175.510 0.179 0.000 1.141 227 N CA -0.323 52.802 53.050 0.124 0.000 0.864 227 N CB 0.628 39.120 38.487 0.008 0.000 1.100 227 N HN -0.114 7.931 8.380 -0.303 0.153 0.510 228 G N -1.094 107.749 108.800 0.071 0.000 2.159 228 G HA2 -0.472 nan 3.960 nan 0.000 0.256 228 G HA3 -0.472 nan 3.960 nan 0.000 0.256 228 G C -1.274 173.695 174.900 0.114 0.000 0.977 228 G CA 0.428 45.589 45.100 0.101 0.000 0.652 228 G HN -0.439 7.748 8.290 -0.022 0.090 0.531 229 D N 1.704 122.160 120.400 0.094 0.000 2.347 229 D HA 0.118 nan 4.640 nan 0.000 0.235 229 D C -0.445 175.882 176.300 0.046 0.000 1.149 229 D CA -0.189 53.901 54.000 0.151 0.000 0.850 229 D CB 0.384 41.376 40.800 0.321 0.000 1.061 229 D HN -0.190 8.052 8.370 0.003 0.130 0.487 230 E N 3.694 123.900 120.200 0.010 0.000 2.562 230 E HA 0.226 nan 4.350 nan 0.000 0.214 230 E C 0.609 177.160 176.600 -0.082 0.000 0.979 230 E CA -0.564 55.814 56.400 -0.037 0.000 1.002 230 E CB 0.868 30.541 29.700 -0.044 0.000 1.048 230 E HN 0.228 8.596 8.360 0.014 0.000 0.488 231 I N 0.919 121.429 120.570 -0.100 0.000 2.162 231 I HA -0.326 nan 4.170 nan 0.000 0.238 231 I C 1.867 177.905 176.117 -0.132 0.000 1.076 231 I CA 2.910 64.093 61.300 -0.195 0.000 1.353 231 I CB -1.689 36.168 38.000 -0.240 0.000 1.063 231 I HN 0.043 8.352 8.210 -0.049 -0.128 0.408 232 T N 1.809 116.318 114.554 -0.075 0.000 2.652 232 T HA -0.094 nan 4.350 nan 0.000 0.267 232 T C -0.668 173.915 174.700 -0.195 0.000 1.039 232 T CA 6.315 68.285 62.100 -0.217 0.000 1.153 232 T CB -2.512 66.280 68.868 -0.126 0.000 0.863 232 T HN -0.268 8.296 8.240 0.023 -0.310 0.428 233 P HA -0.134 nan 4.420 nan 0.000 0.216 233 P C 1.745 179.031 177.300 -0.024 0.000 1.150 233 P CA 3.457 66.548 63.100 -0.015 0.000 0.837 233 P CB -0.404 31.285 31.700 -0.018 0.000 0.786 234 T N 0.649 115.162 114.554 -0.068 0.000 2.652 234 T HA -0.258 nan 4.350 nan 0.000 0.267 234 T C 2.420 177.070 174.700 -0.084 0.000 1.039 234 T CA 4.547 66.594 62.100 -0.089 0.000 1.153 234 T CB -0.409 68.381 68.868 -0.129 0.000 0.863 234 T HN -0.620 7.557 8.240 -0.084 0.012 0.428 235 V N 1.949 121.822 119.914 -0.069 0.000 2.255 235 V HA -0.280 nan 4.120 nan 0.000 0.243 235 V C 1.836 178.038 176.094 0.180 0.000 1.038 235 V CA 4.310 66.611 62.300 0.002 0.000 1.008 235 V CB -0.613 31.232 31.823 0.038 0.000 0.645 235 V HN -0.535 7.598 8.190 -0.096 0.000 0.449 236 F N -1.395 118.536 119.950 -0.032 0.000 2.216 236 F HA -0.255 nan 4.527 nan 0.000 0.300 236 F C 2.043 177.800 175.800 -0.071 0.000 1.085 236 F CA 0.960 58.936 58.000 -0.040 0.000 1.326 236 F CB -1.261 37.761 39.000 0.036 0.000 1.027 236 F HN -0.040 8.357 8.300 0.162 0.000 0.497 237 L N -3.128 118.176 121.223 0.135 0.000 2.191 237 L HA -0.408 nan 4.340 nan 0.000 0.212 237 L C 2.080 178.935 176.870 -0.024 0.000 1.103 237 L CA 2.914 57.775 54.840 0.035 0.000 0.769 237 L CB -0.790 41.274 42.059 0.009 0.000 0.908 237 L HN -0.144 8.166 8.230 0.132 0.000 0.438 238 S N -0.811 114.866 115.700 -0.038 0.000 2.345 238 S HA -0.180 nan 4.470 nan 0.000 0.219 238 S C 2.548 177.078 174.600 -0.117 0.000 1.031 238 S CA 3.331 61.480 58.200 -0.085 0.000 0.984 238 S CB 0.050 63.181 63.200 -0.115 0.000 0.874 238 S HN -0.635 7.551 8.310 -0.008 0.120 0.451 239 V N 3.563 123.366 119.914 -0.184 0.000 2.252 239 V HA -0.412 nan 4.120 nan 0.000 0.249 239 V C 1.909 177.819 176.094 -0.306 0.000 1.056 239 V CA 4.331 66.355 62.300 -0.460 0.000 1.022 239 V CB -0.695 30.748 31.823 -0.633 0.000 0.641 239 V HN -0.294 7.770 8.190 -0.103 0.064 0.445 240 E N -2.402 117.672 120.200 -0.210 0.000 2.273 240 E HA -0.411 nan 4.350 nan 0.000 0.198 240 E C 1.828 178.342 176.600 -0.143 0.000 1.002 240 E CA 3.182 59.483 56.400 -0.164 0.000 0.828 240 E CB -0.139 29.493 29.700 -0.114 0.000 0.747 240 E HN 0.144 8.402 8.360 -0.169 0.000 0.491 241 T N -5.102 109.380 114.554 -0.121 0.000 2.833 241 T HA -0.190 nan 4.350 nan 0.000 0.269 241 T C 1.867 176.480 174.700 -0.144 0.000 1.054 241 T CA 3.071 65.103 62.100 -0.114 0.000 1.135 241 T CB -0.553 68.257 68.868 -0.096 0.000 0.869 241 T HN -0.476 7.544 8.240 -0.117 0.150 0.466 242 D N 0.529 120.853 120.400 -0.127 0.000 2.327 242 D HA 0.044 nan 4.640 nan 0.000 0.205 242 D C 2.120 178.134 176.300 -0.477 0.000 0.989 242 D CA 2.347 56.242 54.000 -0.176 0.000 0.873 242 D CB -0.109 40.707 40.800 0.028 0.000 0.955 242 D HN 0.001 8.180 8.370 -0.088 0.138 0.515 243 E N 1.061 120.996 120.200 -0.441 0.000 2.204 243 E HA -0.245 nan 4.350 nan 0.000 0.195 243 E C 1.772 178.166 176.600 -0.343 0.000 0.990 243 E CA 2.768 58.828 56.400 -0.567 0.000 0.821 243 E CB -0.481 29.052 29.700 -0.278 0.000 0.750 243 E HN -0.688 7.409 8.360 -0.256 0.110 0.477 244 L N -3.853 117.244 121.223 -0.211 0.000 2.079 244 L HA -0.207 nan 4.340 nan 0.000 0.210 244 L C 1.872 178.800 176.870 0.098 0.000 1.081 244 L CA 3.056 57.870 54.840 -0.044 0.000 0.752 244 L CB -1.845 40.208 42.059 -0.009 0.000 0.896 244 L HN -0.644 7.415 8.230 -0.229 0.033 0.433 245 R N -2.455 118.018 120.500 -0.044 0.000 2.148 245 R HA -0.294 nan 4.340 nan 0.000 0.227 245 R C 2.430 178.950 176.300 0.367 0.000 1.103 245 R CA 3.042 59.231 56.100 0.148 0.000 0.983 245 R CB -0.430 29.765 30.300 -0.174 0.000 0.874 245 R HN -0.536 7.575 8.270 -0.230 0.021 0.451 246 H N 0.227 119.328 119.070 0.052 0.000 2.403 246 H HA -0.168 nan 4.556 nan 0.000 0.298 246 H C 2.389 177.770 175.328 0.088 0.000 1.059 246 H CA 2.013 58.086 56.048 0.041 0.000 1.363 246 H CB 0.203 29.949 29.762 -0.028 0.000 1.410 246 H HN -0.405 7.773 8.280 0.115 0.170 0.528 247 M N -1.778 117.944 119.600 0.205 0.000 2.159 247 M HA -0.370 nan 4.480 nan 0.000 0.263 247 M C 2.014 178.577 176.300 0.438 0.000 1.063 247 M CA 3.063 58.468 55.300 0.176 0.000 1.110 247 M CB -0.760 31.843 32.600 0.005 0.000 1.374 247 M HN -0.302 7.996 8.290 0.153 0.084 0.411 248 A N -1.064 121.976 122.820 0.366 0.000 1.972 248 A HA -0.332 nan 4.320 nan 0.000 0.219 248 A C 1.942 179.678 177.584 0.254 0.000 1.169 248 A CA 3.228 55.460 52.037 0.324 0.000 0.635 248 A CB -0.968 18.220 19.000 0.312 0.000 0.810 248 A HN -0.022 8.332 8.150 0.338 -0.000 0.446 249 N N -1.317 117.506 118.700 0.206 0.000 2.188 249 N HA -0.207 nan 4.740 nan 0.000 0.184 249 N C 2.530 178.139 175.510 0.164 0.000 1.018 249 N CA 2.624 55.722 53.050 0.079 0.000 0.858 249 N CB -0.239 38.297 38.487 0.081 0.000 0.989 249 N HN -0.431 7.947 8.380 0.248 0.151 0.426 250 G N 0.205 109.158 108.800 0.255 0.000 2.404 250 G HA2 -0.291 nan 3.960 nan 0.000 0.215 250 G HA3 -0.291 nan 3.960 nan 0.000 0.215 250 G C 0.715 175.730 174.900 0.192 0.000 1.174 250 G CA 1.931 47.188 45.100 0.261 0.000 0.780 250 G HN -0.312 8.064 8.290 0.289 0.087 0.537 251 Y N 3.018 123.391 120.300 0.123 0.000 2.081 251 Y HA -0.461 nan 4.550 nan 0.000 0.280 251 Y C 1.927 177.730 175.900 -0.162 0.000 1.163 251 Y CA 3.525 61.574 58.100 -0.085 0.000 1.135 251 Y CB 0.060 38.462 38.460 -0.098 0.000 0.970 251 Y HN -0.442 8.130 8.280 0.487 0.000 0.498 252 Q N -3.968 115.750 119.800 -0.138 0.000 2.226 252 Q HA -0.265 nan 4.340 nan 0.000 0.204 252 Q C 2.840 178.714 176.000 -0.210 0.000 0.975 252 Q CA 2.617 58.282 55.803 -0.230 0.000 0.866 252 Q CB -0.846 27.806 28.738 -0.144 0.000 0.915 252 Q HN 0.146 8.463 8.270 0.077 0.000 0.440 253 T N 3.919 118.411 114.554 -0.104 0.000 2.674 253 T HA -0.296 nan 4.350 nan 0.000 0.265 253 T C 1.981 176.569 174.700 -0.187 0.000 1.039 253 T CA 4.560 66.627 62.100 -0.055 0.000 1.150 253 T CB -0.498 68.384 68.868 0.024 0.000 0.864 253 T HN -0.350 7.731 8.240 -0.037 0.136 0.427 254 V N 1.525 121.266 119.914 -0.289 0.000 2.287 254 V HA -0.369 nan 4.120 nan 0.000 0.248 254 V C 1.713 177.539 176.094 -0.446 0.000 1.053 254 V CA 4.276 66.355 62.300 -0.368 0.000 1.027 254 V CB -1.001 30.534 31.823 -0.481 0.000 0.646 254 V HN -0.409 7.620 8.190 -0.268 0.000 0.447 255 V N -1.421 118.089 119.914 -0.673 0.000 2.282 255 V HA -0.478 nan 4.120 nan 0.000 0.249 255 V C 2.552 178.529 176.094 -0.195 0.000 1.057 255 V CA 4.173 66.148 62.300 -0.542 0.000 1.032 255 V CB -0.941 30.521 31.823 -0.601 0.000 0.645 255 V HN -0.313 7.407 8.190 -0.783 0.000 0.447 256 S N -0.296 115.303 115.700 -0.168 0.000 2.447 256 S HA -0.230 nan 4.470 nan 0.000 0.233 256 S C 1.600 176.183 174.600 -0.027 0.000 1.006 256 S CA 3.304 61.458 58.200 -0.076 0.000 0.957 256 S CB 0.105 63.266 63.200 -0.066 0.000 0.773 256 S HN 0.146 8.328 8.310 -0.214 0.000 0.507 257 I N -5.176 115.374 120.570 -0.034 0.000 4.018 257 I HA 0.371 nan 4.170 nan 0.000 0.337 257 I C 0.841 177.017 176.117 0.098 0.000 1.327 257 I CA -0.316 61.017 61.300 0.054 0.000 1.100 257 I CB -0.328 37.691 38.000 0.031 0.000 1.025 257 I HN -0.354 7.655 8.210 -0.100 0.141 0.396 258 A N 2.934 125.801 122.820 0.078 0.000 2.024 258 A HA -0.315 nan 4.320 nan 0.000 0.220 258 A C 0.880 178.542 177.584 0.130 0.000 1.164 258 A CA 2.748 54.887 52.037 0.169 0.000 0.643 258 A CB -1.230 17.990 19.000 0.367 0.000 0.806 258 A HN 0.097 8.078 8.150 0.017 0.180 0.451 259 N N -4.296 114.467 118.700 0.105 0.000 2.235 259 N HA 0.068 nan 4.740 nan 0.000 0.209 259 N C -1.367 174.199 175.510 0.092 0.000 1.122 259 N CA -0.302 52.797 53.050 0.081 0.000 0.845 259 N CB 0.975 39.499 38.487 0.061 0.000 1.004 259 N HN -0.150 8.260 8.380 0.102 0.031 0.499 260 D N 2.202 122.679 120.400 0.128 0.000 2.295 260 D HA 0.343 nan 4.640 nan 0.000 0.248 260 D C -0.800 175.569 176.300 0.116 0.000 1.154 260 D CA -2.470 51.618 54.000 0.147 0.000 0.857 260 D CB 1.737 42.678 40.800 0.234 0.000 1.117 260 D HN -0.236 8.029 8.370 0.142 0.191 0.468 261 P HA -0.222 nan 4.420 nan 0.000 0.216 261 P C 0.087 177.384 177.300 -0.005 0.000 1.150 261 P CA 1.861 64.974 63.100 0.020 0.000 0.843 261 P CB 0.325 32.025 31.700 0.001 0.000 0.787 262 A N -3.183 119.654 122.820 0.030 0.000 1.892 262 A HA -0.334 nan 4.320 nan 0.000 0.218 262 A C 1.986 179.597 177.584 0.044 0.000 1.188 262 A CA 3.113 55.151 52.037 0.003 0.000 0.631 262 A CB -1.047 18.001 19.000 0.080 0.000 0.822 262 A HN 0.176 8.664 8.150 0.066 -0.299 0.447 263 S N -0.292 115.562 115.700 0.257 0.000 2.381 263 S HA -0.463 nan 4.470 nan 0.000 0.230 263 S C 2.311 177.017 174.600 0.177 0.000 1.052 263 S CA 3.058 61.483 58.200 0.376 0.000 1.068 263 S CB -0.373 63.008 63.200 0.301 0.000 0.918 263 S HN -0.304 8.172 8.310 0.276 0.000 0.448 264 A N 0.108 122.965 122.820 0.063 0.000 1.986 264 A HA -0.189 nan 4.320 nan 0.000 0.220 264 A C 1.177 178.725 177.584 -0.059 0.000 1.171 264 A CA 2.552 54.591 52.037 0.003 0.000 0.640 264 A CB -0.335 18.650 19.000 -0.025 0.000 0.811 264 A HN -0.360 7.817 8.150 0.060 0.009 0.451 265 K N -3.033 117.247 120.400 -0.200 0.000 2.121 265 K HA -0.040 nan 4.320 nan 0.000 0.203 265 K C 1.851 178.301 176.600 -0.249 0.000 1.041 265 K CA 2.286 58.341 56.287 -0.386 0.000 0.969 265 K CB 0.789 32.757 32.500 -0.887 0.000 0.799 265 K HN -0.346 7.632 8.250 -0.224 0.138 0.456 266 F N -3.268 116.725 119.950 0.073 0.000 2.220 266 F HA 0.035 nan 4.527 nan 0.000 0.290 266 F C 1.361 177.322 175.800 0.267 0.000 1.080 266 F CA 1.554 59.632 58.000 0.129 0.000 1.318 266 F CB -0.184 38.806 39.000 -0.017 0.000 1.063 266 F HN 0.216 8.272 8.300 -0.220 0.112 0.498 267 L N 0.600 122.147 121.223 0.538 0.000 1.997 267 L HA -0.552 nan 4.340 nan 0.000 0.227 267 L C 1.383 178.408 176.870 0.258 0.000 1.087 267 L CA 3.778 58.841 54.840 0.372 0.000 0.797 267 L CB -0.623 41.589 42.059 0.254 0.000 0.902 267 L HN -0.324 8.123 8.230 0.532 0.103 0.441 268 N N -3.725 115.098 118.700 0.205 0.000 2.272 268 N HA -0.357 nan 4.740 nan 0.000 0.185 268 N C 2.439 178.070 175.510 0.202 0.000 1.014 268 N CA 3.123 56.277 53.050 0.174 0.000 0.870 268 N CB -0.384 38.179 38.487 0.128 0.000 0.975 268 N HN 0.194 8.688 8.380 0.190 0.000 0.433 269 T N 3.148 117.842 114.554 0.232 0.000 2.737 269 T HA -0.192 nan 4.350 nan 0.000 0.265 269 T C 1.639 176.490 174.700 0.251 0.000 1.038 269 T CA 4.248 66.492 62.100 0.240 0.000 1.144 269 T CB -0.327 68.696 68.868 0.258 0.000 0.866 269 T HN -0.107 8.156 8.240 0.254 0.130 0.434 270 D N 1.959 122.521 120.400 0.270 0.000 2.117 270 D HA -0.199 nan 4.640 nan 0.000 0.198 270 D C 2.043 178.497 176.300 0.256 0.000 0.982 270 D CA 3.686 57.838 54.000 0.253 0.000 0.828 270 D CB -0.375 40.578 40.800 0.254 0.000 0.967 270 D HN -0.281 8.272 8.370 0.305 0.000 0.464 271 L N -0.138 121.237 121.223 0.254 0.000 2.042 271 L HA -0.364 nan 4.340 nan 0.000 0.210 271 L C 1.456 178.531 176.870 0.342 0.000 1.076 271 L CA 3.360 58.374 54.840 0.289 0.000 0.749 271 L CB -0.202 42.007 42.059 0.250 0.000 0.893 271 L HN 0.172 8.547 8.230 0.241 0.000 0.432 272 N N -1.560 117.313 118.700 0.288 0.000 2.216 272 N HA -0.323 nan 4.740 nan 0.000 0.183 272 N C 2.126 177.827 175.510 0.319 0.000 1.017 272 N CA 3.280 56.501 53.050 0.286 0.000 0.861 272 N CB -0.067 38.527 38.487 0.179 0.000 0.986 272 N HN -0.312 8.218 8.380 0.250 0.000 0.428 273 N N 0.966 119.841 118.700 0.291 0.000 2.120 273 N HA -0.334 nan 4.740 nan 0.000 0.188 273 N C 1.861 177.555 175.510 0.308 0.000 1.024 273 N CA 3.205 56.432 53.050 0.293 0.000 0.852 273 N CB 0.215 38.859 38.487 0.262 0.000 1.003 273 N HN -0.328 8.216 8.380 0.273 0.000 0.424 274 A N 0.622 123.626 122.820 0.307 0.000 1.858 274 A HA -0.276 nan 4.320 nan 0.000 0.216 274 A C 1.492 179.271 177.584 0.325 0.000 1.190 274 A CA 3.171 55.388 52.037 0.300 0.000 0.617 274 A CB -0.760 18.425 19.000 0.310 0.000 0.827 274 A HN 0.416 8.748 8.150 0.304 0.000 0.443 275 F N -0.551 119.557 119.950 0.264 0.000 2.126 275 F HA -0.380 nan 4.527 nan 0.000 0.299 275 F C 0.876 176.827 175.800 0.251 0.000 1.096 275 F CA 3.410 61.560 58.000 0.249 0.000 1.255 275 F CB 0.315 39.489 39.000 0.291 0.000 0.997 275 F HN -0.166 8.456 8.300 0.537 0.000 0.479 276 W N -1.203 120.041 121.300 -0.093 0.000 2.388 276 W HA -0.416 nan 4.660 nan 0.000 0.294 276 W C 1.574 177.990 176.519 -0.172 0.000 1.212 276 W CA 3.554 60.758 57.345 -0.234 0.000 1.271 276 W CB 0.460 29.839 29.460 -0.135 0.000 1.126 276 W HN -0.030 8.428 8.180 0.464 0.000 0.535 277 T N 2.211 116.791 114.554 0.044 0.000 2.684 277 T HA -0.510 nan 4.350 nan 0.000 0.267 277 T C 2.389 176.976 174.700 -0.189 0.000 1.036 277 T CA 5.402 67.479 62.100 -0.039 0.000 1.148 277 T CB -0.678 68.228 68.868 0.064 0.000 0.863 277 T HN -0.449 7.893 8.240 0.187 0.010 0.436 278 Q N 0.096 119.820 119.800 -0.126 0.000 2.046 278 Q HA -0.279 nan 4.340 nan 0.000 0.200 278 Q C 2.249 178.046 176.000 -0.339 0.000 0.975 278 Q CA 2.744 58.472 55.803 -0.125 0.000 0.836 278 Q CB -0.645 28.202 28.738 0.182 0.000 0.896 278 Q HN -0.316 7.935 8.270 -0.032 0.000 0.428 279 Q N -0.295 119.249 119.800 -0.427 0.000 2.135 279 Q HA -0.314 nan 4.340 nan 0.000 0.204 279 Q C 2.435 178.194 176.000 -0.400 0.000 0.981 279 Q CA 2.913 58.504 55.803 -0.353 0.000 0.856 279 Q CB -0.951 27.468 28.738 -0.533 0.000 0.902 279 Q HN 0.002 7.946 8.270 -0.545 0.000 0.425 280 K N -1.434 118.607 120.400 -0.599 0.000 2.059 280 K HA -0.357 nan 4.320 nan 0.000 0.212 280 K C 1.714 178.135 176.600 -0.298 0.000 1.050 280 K CA 2.825 58.805 56.287 -0.512 0.000 0.927 280 K CB -0.587 31.629 32.500 -0.474 0.000 0.714 280 K HN 0.051 7.877 8.250 -0.682 0.014 0.447 281 Y N -2.180 117.812 120.300 -0.513 0.000 2.230 281 Y HA -0.109 nan 4.550 nan 0.000 0.294 281 Y C 1.407 177.023 175.900 -0.475 0.000 1.120 281 Y CA 2.837 60.607 58.100 -0.550 0.000 1.129 281 Y CB 1.328 39.296 38.460 -0.819 0.000 1.040 281 Y HN -0.878 7.181 8.280 -0.369 0.000 0.519 282 F N -1.990 117.805 119.950 -0.258 0.000 2.126 282 F HA -0.421 nan 4.527 nan 0.000 0.299 282 F C 2.553 178.338 175.800 -0.025 0.000 1.096 282 F CA 3.451 61.270 58.000 -0.301 0.000 1.255 282 F CB -1.147 37.438 39.000 -0.693 0.000 0.997 282 F HN -0.234 7.661 8.300 -0.676 0.000 0.479 283 T N 0.443 115.154 114.554 0.262 0.000 2.622 283 T HA -0.137 nan 4.350 nan 0.000 0.266 283 T C -0.394 174.473 174.700 0.279 0.000 1.047 283 T CA 6.406 68.775 62.100 0.449 0.000 1.159 283 T CB -2.238 66.739 68.868 0.181 0.000 0.863 283 T HN 0.270 8.449 8.240 0.082 0.110 0.422 284 P HA 0.031 nan 4.420 nan 0.000 0.219 284 P C 1.353 178.585 177.300 -0.114 0.000 1.154 284 P CA 2.553 65.655 63.100 0.004 0.000 0.826 284 P CB -0.261 31.415 31.700 -0.040 0.000 0.795 285 V N -0.468 119.261 119.914 -0.309 0.000 2.307 285 V HA -0.336 nan 4.120 nan 0.000 0.245 285 V C 2.286 178.186 176.094 -0.324 0.000 1.045 285 V CA 4.796 66.889 62.300 -0.345 0.000 1.024 285 V CB -0.811 30.563 31.823 -0.749 0.000 0.651 285 V HN 0.131 8.085 8.190 -0.395 0.000 0.449 286 L N -1.740 119.204 121.223 -0.466 0.000 2.046 286 L HA -0.375 nan 4.340 nan 0.000 0.208 286 L C 2.145 178.264 176.870 -1.253 0.000 1.077 286 L CA 3.414 57.733 54.840 -0.868 0.000 0.747 286 L CB -0.781 40.850 42.059 -0.713 0.000 0.896 286 L HN -0.371 7.672 8.230 -0.312 0.000 0.432 287 G N -1.849 106.039 108.800 -1.520 0.000 2.440 287 G HA2 -0.433 nan 3.960 nan 0.000 0.218 287 G HA3 -0.433 nan 3.960 nan 0.000 0.218 287 G C 0.760 175.509 174.900 -0.252 0.000 1.154 287 G CA 2.200 46.483 45.100 -1.362 0.000 0.767 287 G HN -0.423 7.011 8.290 -1.427 0.000 0.552 288 Y N 3.305 123.498 120.300 -0.178 0.000 2.114 288 Y HA -0.370 nan 4.550 nan 0.000 0.284 288 Y C 1.677 177.579 175.900 0.003 0.000 1.143 288 Y CA 2.850 60.996 58.100 0.078 0.000 1.135 288 Y CB 0.039 38.459 38.460 -0.068 0.000 0.980 288 Y HN -0.581 7.647 8.280 -0.087 -0.000 0.499 289 L N -2.203 118.622 121.223 -0.664 0.000 2.131 289 L HA -0.479 nan 4.340 nan 0.000 0.210 289 L C 2.605 179.131 176.870 -0.574 0.000 1.092 289 L CA 3.142 57.527 54.840 -0.759 0.000 0.759 289 L CB -0.403 41.270 42.059 -0.643 0.000 0.903 289 L HN 0.217 8.188 8.230 -0.431 0.000 0.435 290 F N -0.317 119.313 119.950 -0.533 0.000 2.037 290 F HA -0.398 nan 4.527 nan 0.000 0.291 290 F C 2.142 177.578 175.800 -0.606 0.000 1.137 290 F CA 2.419 59.911 58.000 -0.846 0.000 1.178 290 F CB -0.954 37.179 39.000 -1.444 0.000 0.995 290 F HN 0.288 8.070 8.300 -0.843 0.013 0.472 291 E N -2.545 117.569 120.200 -0.143 0.000 2.160 291 E HA -0.355 nan 4.350 nan 0.000 0.195 291 E C 2.676 179.168 176.600 -0.180 0.000 0.991 291 E CA 2.948 59.319 56.400 -0.047 0.000 0.810 291 E CB 0.019 29.918 29.700 0.332 0.000 0.742 291 E HN -0.085 8.232 8.360 -0.073 0.000 0.466 292 Y N -4.243 116.057 120.300 -0.001 0.000 2.535 292 Y HA 0.067 nan 4.550 nan 0.000 0.266 292 Y C 0.664 176.486 175.900 -0.130 0.000 1.088 292 Y CA 0.707 58.809 58.100 0.004 0.000 1.285 292 Y CB 1.096 39.566 38.460 0.016 0.000 1.166 292 Y HN -0.125 8.145 8.280 0.021 0.023 0.525 293 G N -3.369 105.358 108.800 -0.123 0.000 3.262 293 G HA2 -0.016 nan 3.960 nan 0.000 0.228 293 G HA3 -0.016 nan 3.960 nan 0.000 0.228 293 G C -1.749 173.231 174.900 0.134 0.000 1.197 293 G CA 0.055 45.087 45.100 -0.114 0.000 0.819 293 G HN -0.364 7.690 8.290 -0.204 0.114 0.531 294 S N -2.966 112.816 115.700 0.136 0.000 2.599 294 S HA 0.288 nan 4.470 nan 0.000 0.294 294 S C -0.616 173.898 174.600 -0.144 0.000 1.094 294 S CA -1.573 56.735 58.200 0.180 0.000 0.931 294 S CB 3.088 66.489 63.200 0.335 0.000 1.093 294 S HN -0.996 7.234 8.310 0.032 0.099 0.488 295 K N 2.406 122.573 120.400 -0.389 0.000 2.286 295 K HA 0.192 nan 4.320 nan 0.000 0.203 295 K C 0.047 176.159 176.600 -0.814 0.000 1.078 295 K CA -0.192 55.639 56.287 -0.760 0.000 0.957 295 K CB 1.524 33.166 32.500 -1.429 0.000 1.018 295 K HN 0.137 8.487 8.250 -0.309 -0.286 0.484 296 F N 0.984 120.755 119.950 -0.298 0.000 2.371 296 F HA 0.093 nan 4.527 nan 0.000 0.363 296 F C -0.498 175.055 175.800 -0.410 0.000 1.122 296 F CA -0.873 56.928 58.000 -0.332 0.000 1.129 296 F CB 0.147 38.977 39.000 -0.283 0.000 1.173 296 F HN -0.325 8.026 8.300 -0.538 -0.375 0.489 297 K N 3.526 123.665 120.400 -0.435 0.000 2.218 297 K HA 0.025 nan 4.320 nan 0.000 0.276 297 K C -0.917 175.213 176.600 -0.784 0.000 1.022 297 K CA -0.404 55.478 56.287 -0.675 0.000 0.946 297 K CB 0.458 32.298 32.500 -1.100 0.000 1.000 297 K HN 0.162 8.141 8.250 -0.451 0.000 0.468 298 V N 2.133 121.170 119.914 -1.462 0.000 3.085 298 V HA 0.096 nan 4.120 nan 0.000 0.245 298 V C -0.206 175.571 176.094 -0.529 0.000 1.114 298 V CA 1.022 62.650 62.300 -1.120 0.000 1.108 298 V CB 0.814 31.554 31.823 -1.806 0.000 0.798 298 V HN 0.224 6.765 8.190 -2.748 0.000 0.471 299 E N -2.040 118.021 120.200 -0.232 0.000 2.500 299 E HA 0.143 nan 4.350 nan 0.000 0.288 299 E C -2.884 174.010 176.600 0.490 0.000 1.147 299 E CA -1.957 54.521 56.400 0.131 0.000 0.916 299 E CB 1.955 31.685 29.700 0.051 0.000 1.181 299 E HN -0.420 7.743 8.360 -0.329 0.000 0.433 300 P HA 0.148 nan 4.420 nan 0.000 0.281 300 P C -0.043 177.483 177.300 0.377 0.000 1.252 300 P CA -0.778 62.603 63.100 0.469 0.000 0.778 300 P CB 0.507 32.168 31.700 -0.065 0.000 0.895 301 W N 6.506 127.976 121.300 0.284 0.000 2.305 301 W HA -0.508 nan 4.660 nan 0.000 0.308 301 W C 0.666 177.183 176.519 -0.004 0.000 1.226 301 W CA 3.243 60.627 57.345 0.066 0.000 1.253 301 W CB 0.195 29.615 29.460 -0.066 0.000 1.146 301 W HN 0.237 9.127 8.180 0.821 -0.217 0.507 302 V N -0.641 119.282 119.914 0.015 0.000 2.380 302 V HA -0.570 nan 4.120 nan 0.000 0.251 302 V C 1.868 177.846 176.094 -0.192 0.000 1.063 302 V CA 4.339 66.519 62.300 -0.200 0.000 1.055 302 V CB -0.678 30.979 31.823 -0.276 0.000 0.657 302 V HN -0.267 8.101 8.190 0.329 0.020 0.455 303 K N -2.392 117.910 120.400 -0.162 0.000 2.062 303 K HA -0.240 nan 4.320 nan 0.000 0.205 303 K C 2.243 178.742 176.600 -0.169 0.000 1.051 303 K CA 3.334 59.546 56.287 -0.125 0.000 0.941 303 K CB -0.170 32.270 32.500 -0.099 0.000 0.719 303 K HN -0.225 7.839 8.250 -0.127 0.109 0.440 304 T N 2.410 116.806 114.554 -0.263 0.000 2.652 304 T HA -0.245 nan 4.350 nan 0.000 0.267 304 T C 1.314 175.525 174.700 -0.814 0.000 1.039 304 T CA 4.704 66.492 62.100 -0.520 0.000 1.153 304 T CB -0.604 67.921 68.868 -0.572 0.000 0.863 304 T HN -0.585 7.459 8.240 -0.182 0.087 0.428 305 W N 1.840 122.455 121.300 -1.141 0.000 2.321 305 W HA -0.519 nan 4.660 nan 0.000 0.306 305 W C 1.412 177.725 176.519 -0.344 0.000 1.217 305 W CA 4.153 60.930 57.345 -0.947 0.000 1.257 305 W CB 0.088 28.872 29.460 -1.126 0.000 1.145 305 W HN 0.596 8.102 8.180 -0.942 0.108 0.509 306 N N -2.813 115.922 118.700 0.060 0.000 2.309 306 N HA -0.375 nan 4.740 nan 0.000 0.182 306 N C 1.689 177.185 175.510 -0.023 0.000 1.018 306 N CA 3.475 56.588 53.050 0.105 0.000 0.876 306 N CB 0.004 38.594 38.487 0.172 0.000 0.972 306 N HN -0.485 7.914 8.380 0.031 0.000 0.434 307 R N 0.090 120.563 120.500 -0.045 0.000 2.100 307 R HA -0.194 nan 4.340 nan 0.000 0.220 307 R C 1.864 178.250 176.300 0.142 0.000 1.091 307 R CA 3.412 59.543 56.100 0.052 0.000 0.986 307 R CB -0.059 30.290 30.300 0.081 0.000 0.888 307 R HN -0.537 7.536 8.270 -0.117 0.127 0.444 308 W N -1.815 119.349 121.300 -0.227 0.000 2.381 308 W HA -0.180 nan 4.660 nan 0.000 0.323 308 W C 2.452 178.770 176.519 -0.335 0.000 1.194 308 W CA 2.993 60.168 57.345 -0.282 0.000 1.296 308 W CB -0.604 28.628 29.460 -0.380 0.000 1.175 308 W HN -0.014 8.180 8.180 0.022 0.000 0.465 309 V N -1.817 117.882 119.914 -0.358 0.000 2.231 309 V HA -0.465 nan 4.120 nan 0.000 0.240 309 V C 1.944 177.953 176.094 -0.141 0.000 1.039 309 V CA 4.729 66.763 62.300 -0.444 0.000 0.998 309 V CB -0.846 30.262 31.823 -1.191 0.000 0.639 309 V HN 0.010 7.859 8.190 -0.569 0.000 0.451 310 S N -1.571 113.983 115.700 -0.243 0.000 2.365 310 S HA -0.375 nan 4.470 nan 0.000 0.225 310 S C 2.080 176.711 174.600 0.052 0.000 1.039 310 S CA 3.735 61.948 58.200 0.021 0.000 1.033 310 S CB -0.086 63.194 63.200 0.134 0.000 0.887 310 S HN -0.407 7.584 8.310 -0.533 0.000 0.447 311 E N 0.051 120.275 120.200 0.040 0.000 2.045 311 E HA -0.130 nan 4.350 nan 0.000 0.195 311 E C 2.264 178.899 176.600 0.060 0.000 0.953 311 E CA 2.384 58.814 56.400 0.050 0.000 0.859 311 E CB 0.213 29.942 29.700 0.049 0.000 0.854 311 E HN -0.260 8.107 8.360 0.012 0.000 0.471 312 D N 0.379 120.824 120.400 0.076 0.000 2.149 312 D HA -0.310 nan 4.640 nan 0.000 0.194 312 D C 2.160 178.536 176.300 0.126 0.000 1.001 312 D CA 3.267 57.317 54.000 0.083 0.000 0.849 312 D CB -0.317 40.521 40.800 0.063 0.000 0.939 312 D HN 0.103 8.422 8.370 0.079 0.099 0.449 313 W N -0.091 121.186 121.300 -0.038 0.000 2.619 313 W HA -0.075 nan 4.660 nan 0.000 0.309 313 W C 1.595 178.157 176.519 0.071 0.000 1.126 313 W CA 3.947 61.292 57.345 0.001 0.000 1.472 313 W CB 0.529 29.906 29.460 -0.137 0.000 1.164 313 W HN -0.057 8.240 8.180 0.222 0.016 0.503 314 G N -2.486 106.305 108.800 -0.016 0.000 2.446 314 G HA2 -0.455 nan 3.960 nan 0.000 0.217 314 G HA3 -0.455 nan 3.960 nan 0.000 0.217 314 G C 1.203 175.994 174.900 -0.181 0.000 1.168 314 G CA 2.230 47.192 45.100 -0.230 0.000 0.771 314 G HN 0.052 8.528 8.290 0.309 0.000 0.551 315 G N 1.163 109.926 108.800 -0.061 0.000 2.666 315 G HA2 -0.202 nan 3.960 nan 0.000 0.215 315 G HA3 -0.202 nan 3.960 nan 0.000 0.215 315 G C 1.666 176.528 174.900 -0.063 0.000 1.294 315 G CA 1.666 46.740 45.100 -0.043 0.000 0.811 315 G HN -0.596 7.692 8.290 -0.003 0.000 0.594 316 I N 0.434 120.989 120.570 -0.025 0.000 2.235 316 I HA -0.123 nan 4.170 nan 0.000 0.241 316 I C 1.704 177.807 176.117 -0.022 0.000 1.085 316 I CA 0.764 62.055 61.300 -0.014 0.000 1.378 316 I CB -0.863 37.153 38.000 0.027 0.000 1.076 316 I HN -0.528 7.684 8.210 0.003 0.000 0.415 317 W N 1.111 122.290 121.300 -0.202 0.000 2.355 317 W HA -0.404 nan 4.660 nan 0.000 0.309 317 W C 1.954 178.303 176.519 -0.284 0.000 1.206 317 W CA 3.271 60.480 57.345 -0.227 0.000 1.284 317 W CB 0.424 29.743 29.460 -0.236 0.000 1.145 317 W HN -0.493 7.762 8.180 0.125 0.000 0.502 318 I N -3.832 116.492 120.570 -0.409 0.000 2.179 318 I HA -0.382 nan 4.170 nan 0.000 0.242 318 I C 3.001 178.934 176.117 -0.305 0.000 1.088 318 I CA 2.115 63.132 61.300 -0.472 0.000 1.357 318 I CB -1.121 36.522 38.000 -0.595 0.000 1.051 318 I HN 0.177 8.162 8.210 -0.374 0.000 0.409 319 G N -0.888 107.777 108.800 -0.226 0.000 2.469 319 G HA2 -0.368 nan 3.960 nan 0.000 0.219 319 G HA3 -0.368 nan 3.960 nan 0.000 0.219 319 G C 1.752 176.568 174.900 -0.140 0.000 1.150 319 G CA 1.898 46.908 45.100 -0.149 0.000 0.763 319 G HN -0.432 7.726 8.290 -0.221 0.000 0.561 320 R N 0.849 121.236 120.500 -0.188 0.000 2.241 320 R HA -0.302 nan 4.340 nan 0.000 0.224 320 R C 1.343 177.606 176.300 -0.063 0.000 1.101 320 R CA 2.295 58.301 56.100 -0.158 0.000 0.995 320 R CB -0.166 29.977 30.300 -0.261 0.000 0.870 320 R HN -0.617 7.508 8.270 -0.232 0.007 0.463 321 L N -3.567 117.587 121.223 -0.115 0.000 2.616 321 L HA 0.147 nan 4.340 nan 0.000 0.229 321 L C 1.661 178.582 176.870 0.086 0.000 1.110 321 L CA -0.032 54.823 54.840 0.024 0.000 0.884 321 L CB -0.237 41.729 42.059 -0.155 0.000 1.115 321 L HN 0.114 8.025 8.230 -0.221 0.186 0.481 322 G N 0.214 109.005 108.800 -0.015 0.000 2.475 322 G HA2 -0.343 nan 3.960 nan 0.000 0.220 322 G HA3 -0.343 nan 3.960 nan 0.000 0.220 322 G C 0.448 175.328 174.900 -0.033 0.000 1.125 322 G CA 2.585 47.669 45.100 -0.026 0.000 0.755 322 G HN 0.153 8.219 8.290 -0.062 0.187 0.565 323 K N -0.530 119.831 120.400 -0.066 0.000 2.555 323 K HA -0.152 nan 4.320 nan 0.000 0.193 323 K C -0.245 176.099 176.600 -0.427 0.000 1.032 323 K CA 1.333 57.484 56.287 -0.226 0.000 1.004 323 K CB -1.383 30.943 32.500 -0.290 0.000 0.804 323 K HN -0.059 8.152 8.250 -0.021 0.026 0.496 324 Y N -1.549 118.712 120.300 -0.066 0.000 2.660 324 Y HA 0.028 nan 4.550 nan 0.000 0.254 324 Y C -0.343 175.533 175.900 -0.040 0.000 1.176 324 Y CA -0.830 57.233 58.100 -0.063 0.000 1.195 324 Y CB -0.155 38.247 38.460 -0.096 0.000 1.190 324 Y HN -0.345 7.780 8.280 0.088 0.208 0.535 325 G N 0.251 109.072 108.800 0.035 0.000 2.249 325 G HA2 -0.330 nan 3.960 nan 0.000 0.273 325 G HA3 -0.330 nan 3.960 nan 0.000 0.273 325 G C -0.946 173.987 174.900 0.055 0.000 1.036 325 G CA 0.489 45.608 45.100 0.032 0.000 0.824 325 G HN -0.466 7.740 8.290 -0.019 0.072 0.504 326 V N 0.497 120.444 119.914 0.054 0.000 2.398 326 V HA 0.198 nan 4.120 nan 0.000 0.286 326 V C -1.017 175.076 176.094 -0.000 0.000 1.026 326 V CA -0.775 61.548 62.300 0.039 0.000 0.868 326 V CB 0.876 32.716 31.823 0.028 0.000 0.982 326 V HN -0.861 7.347 8.190 0.054 0.014 0.443 327 E N 6.918 127.120 120.200 0.003 0.000 2.339 327 E HA 0.354 nan 4.350 nan 0.000 0.262 327 E C -1.685 174.888 176.600 -0.046 0.000 0.934 327 E CA -2.218 54.170 56.400 -0.021 0.000 0.802 327 E CB 2.760 32.464 29.700 0.006 0.000 1.275 327 E HN 0.119 8.784 8.360 0.030 -0.286 0.427 328 S N 1.444 117.103 115.700 -0.069 0.000 2.537 328 S HA 0.093 nan 4.470 nan 0.000 0.286 328 S C -1.236 173.336 174.600 -0.047 0.000 1.299 328 S CA -1.220 56.920 58.200 -0.100 0.000 1.067 328 S CB 0.586 63.741 63.200 -0.076 0.000 0.864 328 S HN -0.094 8.183 8.310 -0.054 0.000 0.494 329 P HA -0.003 nan 4.420 nan 0.000 0.266 329 P C -0.022 177.272 177.300 -0.010 0.000 1.195 329 P CA -0.091 62.992 63.100 -0.029 0.000 0.768 329 P CB 0.477 32.096 31.700 -0.136 0.000 0.838 330 R N 2.259 122.782 120.500 0.037 0.000 2.237 330 R HA -0.230 nan 4.340 nan 0.000 0.219 330 R C 0.575 176.895 176.300 0.034 0.000 1.080 330 R CA 2.630 58.784 56.100 0.090 0.000 0.995 330 R CB -0.691 29.727 30.300 0.195 0.000 0.875 330 R HN 0.595 8.942 8.270 0.057 -0.042 0.462 331 S N -1.063 114.525 115.700 -0.186 0.000 2.593 331 S HA 0.052 nan 4.470 nan 0.000 0.217 331 S C 0.878 175.679 174.600 0.337 0.000 0.966 331 S CA 1.063 59.085 58.200 -0.297 0.000 0.914 331 S CB 0.539 63.177 63.200 -0.936 0.000 0.776 331 S HN 0.060 8.580 8.310 -0.159 -0.306 0.523 332 L N 2.744 124.122 121.223 0.257 0.000 2.043 332 L HA -0.340 nan 4.340 nan 0.000 0.212 332 L C 1.058 178.181 176.870 0.422 0.000 1.075 332 L CA 2.799 57.835 54.840 0.326 0.000 0.752 332 L CB -0.611 41.496 42.059 0.080 0.000 0.891 332 L HN -0.548 7.561 8.230 0.089 0.173 0.432 333 R N -1.998 118.695 120.500 0.323 0.000 2.075 333 R HA -0.375 nan 4.340 nan 0.000 0.232 333 R C 1.703 178.220 176.300 0.362 0.000 1.126 333 R CA 3.704 59.988 56.100 0.306 0.000 0.963 333 R CB -0.547 29.898 30.300 0.242 0.000 0.858 333 R HN 0.053 8.468 8.270 0.263 0.013 0.435 334 D N -1.677 118.983 120.400 0.433 0.000 2.144 334 D HA -0.228 nan 4.640 nan 0.000 0.199 334 D C 1.834 178.491 176.300 0.596 0.000 0.984 334 D CA 3.132 57.447 54.000 0.526 0.000 0.834 334 D CB -0.591 40.568 40.800 0.598 0.000 0.955 334 D HN -0.086 8.453 8.370 0.410 0.077 0.465 335 A N 0.081 123.302 122.820 0.668 0.000 1.845 335 A HA -0.285 nan 4.320 nan 0.000 0.215 335 A C 1.981 179.674 177.584 0.182 0.000 1.195 335 A CA 3.138 55.458 52.037 0.470 0.000 0.616 335 A CB -0.639 18.847 19.000 0.811 0.000 0.832 335 A HN 0.104 8.618 8.150 0.740 0.080 0.443 336 K N -2.093 118.502 120.400 0.324 0.000 2.089 336 K HA -0.370 nan 4.320 nan 0.000 0.210 336 K C 2.690 179.298 176.600 0.012 0.000 1.048 336 K CA 2.606 58.966 56.287 0.122 0.000 0.926 336 K CB -0.387 32.313 32.500 0.334 0.000 0.714 336 K HN -0.309 8.262 8.250 0.535 0.000 0.448 337 R N -2.828 117.758 120.500 0.143 0.000 2.083 337 R HA -0.261 nan 4.340 nan 0.000 0.237 337 R C 2.699 179.084 176.300 0.141 0.000 1.137 337 R CA 2.942 59.142 56.100 0.166 0.000 0.951 337 R CB -0.284 30.149 30.300 0.222 0.000 0.851 337 R HN -0.660 7.727 8.270 0.223 0.017 0.434 338 D N -0.488 119.969 120.400 0.096 0.000 2.117 338 D HA -0.160 nan 4.640 nan 0.000 0.197 338 D C 1.550 177.833 176.300 -0.029 0.000 0.987 338 D CA 2.667 56.715 54.000 0.080 0.000 0.829 338 D CB -0.112 40.715 40.800 0.045 0.000 0.961 338 D HN -0.566 7.791 8.370 0.112 0.081 0.460 339 A N -1.253 121.336 122.820 -0.384 0.000 2.054 339 A HA -0.304 nan 4.320 nan 0.000 0.223 339 A C 1.118 178.586 177.584 -0.193 0.000 1.169 339 A CA 2.784 54.434 52.037 -0.645 0.000 0.655 339 A CB -0.663 17.385 19.000 -1.586 0.000 0.812 339 A HN -0.498 7.349 8.150 -0.504 0.000 0.462 340 Y N -3.328 116.894 120.300 -0.130 0.000 2.133 340 Y HA -0.313 nan 4.550 nan 0.000 0.287 340 Y C 0.920 176.719 175.900 -0.168 0.000 1.134 340 Y CA 3.830 61.850 58.100 -0.133 0.000 1.133 340 Y CB 0.877 39.153 38.460 -0.307 0.000 0.987 340 Y HN -0.830 7.469 8.280 0.104 0.043 0.502 341 W N -5.395 116.250 121.300 0.574 0.000 2.975 341 W HA 0.063 nan 4.660 nan 0.000 0.316 341 W C 1.251 177.931 176.519 0.269 0.000 1.131 341 W CA -0.322 57.292 57.345 0.448 0.000 1.624 341 W CB 0.643 30.396 29.460 0.488 0.000 1.038 341 W HN -0.658 7.804 8.180 0.471 0.000 0.571 342 A N 0.645 123.732 122.820 0.445 0.000 1.917 342 A HA -0.488 nan 4.320 nan 0.000 0.219 342 A C 0.848 178.574 177.584 0.236 0.000 1.182 342 A CA 3.979 56.201 52.037 0.308 0.000 0.633 342 A CB -1.068 18.052 19.000 0.199 0.000 0.819 342 A HN -0.089 8.304 8.150 0.406 0.000 0.448 343 H N -4.685 114.399 119.070 0.022 0.000 2.423 343 H HA -0.296 nan 4.556 nan 0.000 0.297 343 H C 2.258 177.562 175.328 -0.040 0.000 1.075 343 H CA 2.629 58.653 56.048 -0.040 0.000 1.342 343 H CB -0.471 29.248 29.762 -0.070 0.000 1.395 343 H HN 0.251 8.873 8.280 0.569 0.000 0.530 344 H N 0.549 119.457 119.070 -0.269 0.000 2.428 344 H HA -0.221 nan 4.556 nan 0.000 0.296 344 H C 2.111 177.255 175.328 -0.306 0.000 1.062 344 H CA 2.910 58.681 56.048 -0.462 0.000 1.350 344 H CB -0.002 29.183 29.762 -0.962 0.000 1.403 344 H HN -0.608 7.251 8.280 -0.482 0.132 0.533 345 D N 0.651 121.119 120.400 0.113 0.000 2.117 345 D HA -0.267 nan 4.640 nan 0.000 0.197 345 D C 2.242 178.597 176.300 0.091 0.000 0.987 345 D CA 3.181 57.312 54.000 0.218 0.000 0.829 345 D CB -0.286 40.681 40.800 0.278 0.000 0.961 345 D HN -0.223 8.170 8.370 0.180 0.086 0.460 346 L N -0.392 120.847 121.223 0.027 0.000 2.046 346 L HA -0.271 nan 4.340 nan 0.000 0.208 346 L C 1.552 178.295 176.870 -0.212 0.000 1.077 346 L CA 2.750 57.534 54.840 -0.094 0.000 0.747 346 L CB -0.867 41.098 42.059 -0.156 0.000 0.896 346 L HN -0.272 7.908 8.230 0.054 0.083 0.432 347 A N -0.384 122.323 122.820 -0.189 0.000 1.884 347 A HA -0.456 nan 4.320 nan 0.000 0.219 347 A C 2.002 179.709 177.584 0.206 0.000 1.197 347 A CA 3.306 55.280 52.037 -0.106 0.000 0.637 347 A CB -1.072 17.744 19.000 -0.307 0.000 0.827 347 A HN -0.188 7.895 8.150 -0.112 0.000 0.450 348 L N -2.443 118.856 121.223 0.127 0.000 1.990 348 L HA -0.503 nan 4.340 nan 0.000 0.213 348 L C 2.386 179.444 176.870 0.313 0.000 1.072 348 L CA 2.960 57.908 54.840 0.182 0.000 0.755 348 L CB -0.676 41.372 42.059 -0.018 0.000 0.889 348 L HN -0.585 7.656 8.230 0.019 0.000 0.432 349 A N -2.114 120.802 122.820 0.160 0.000 1.933 349 A HA -0.374 nan 4.320 nan 0.000 0.218 349 A C 1.887 179.527 177.584 0.092 0.000 1.175 349 A CA 2.939 55.058 52.037 0.137 0.000 0.628 349 A CB -1.023 18.026 19.000 0.081 0.000 0.814 349 A HN -0.604 7.601 8.150 0.093 0.000 0.444 350 A N -0.716 122.093 122.820 -0.019 0.000 1.855 350 A HA -0.177 nan 4.320 nan 0.000 0.215 350 A C 1.969 179.607 177.584 0.090 0.000 1.191 350 A CA 2.421 54.390 52.037 -0.113 0.000 0.613 350 A CB -0.555 18.100 19.000 -0.575 0.000 0.829 350 A HN 0.058 8.077 8.150 -0.076 0.086 0.442 351 Y N -2.342 118.089 120.300 0.217 0.000 2.145 351 Y HA -0.344 nan 4.550 nan 0.000 0.286 351 Y C 2.593 178.754 175.900 0.434 0.000 1.145 351 Y CA 3.567 61.912 58.100 0.408 0.000 1.148 351 Y CB 0.060 38.842 38.460 0.535 0.000 0.981 351 Y HN 0.006 8.578 8.280 0.487 0.000 0.507 352 A N -0.595 122.482 122.820 0.429 0.000 1.892 352 A HA -0.346 nan 4.320 nan 0.000 0.218 352 A C 1.409 179.025 177.584 0.054 0.000 1.188 352 A CA 2.969 55.064 52.037 0.098 0.000 0.631 352 A CB -0.522 18.540 19.000 0.105 0.000 0.822 352 A HN -0.020 8.432 8.150 0.503 0.000 0.447 353 M N -3.571 116.054 119.600 0.042 0.000 2.551 353 M HA 0.130 nan 4.480 nan 0.000 0.252 353 M C 0.535 176.724 176.300 -0.185 0.000 1.219 353 M CA -0.876 54.346 55.300 -0.131 0.000 0.978 353 M CB -0.966 31.571 32.600 -0.106 0.000 1.533 353 M HN -0.494 7.860 8.290 0.106 0.000 0.474 354 W N 0.161 121.394 121.300 -0.112 0.000 2.313 354 W HA -0.238 nan 4.660 nan 0.000 0.293 354 W C -1.934 174.473 176.519 -0.188 0.000 1.216 354 W CA 3.892 61.141 57.345 -0.160 0.000 1.223 354 W CB -3.377 25.976 29.460 -0.178 0.000 1.138 354 W HN -0.133 7.983 8.180 0.196 0.181 0.535 355 P HA -0.138 nan 4.420 nan 0.000 0.242 355 P C -0.362 176.693 177.300 -0.408 0.000 1.197 355 P CA 1.330 63.809 63.100 -1.034 0.000 0.765 355 P CB -0.729 30.222 31.700 -1.249 0.000 0.936 356 L N -3.670 117.399 121.223 -0.256 0.000 2.607 356 L HA 0.068 nan 4.340 nan 0.000 0.228 356 L C -0.251 176.614 176.870 -0.009 0.000 1.123 356 L CA -0.236 54.539 54.840 -0.108 0.000 0.890 356 L CB -0.112 41.911 42.059 -0.061 0.000 1.103 356 L HN -0.282 7.721 8.230 -0.273 0.063 0.468 357 G N -2.500 106.290 108.800 -0.016 0.000 2.532 357 G HA2 -0.021 nan 3.960 nan 0.000 0.291 357 G HA3 -0.021 nan 3.960 nan 0.000 0.291 357 G C -1.466 173.490 174.900 0.093 0.000 1.349 357 G CA -0.763 44.342 45.100 0.008 0.000 1.038 357 G HN -0.594 7.595 8.290 -0.059 0.065 0.518 358 F N -7.070 112.829 119.950 -0.085 0.000 2.733 358 F HA 0.381 nan 4.527 nan 0.000 0.380 358 F C -2.577 173.131 175.800 -0.154 0.000 1.324 358 F CA -2.300 55.633 58.000 -0.111 0.000 1.178 358 F CB -0.027 38.891 39.000 -0.138 0.000 1.093 358 F HN -0.029 7.954 8.300 -0.529 0.000 0.512 359 A N -0.792 121.859 122.820 -0.282 0.000 2.594 359 A HA 0.304 nan 4.320 nan 0.000 0.295 359 A C -1.633 175.836 177.584 -0.192 0.000 1.071 359 A CA -0.468 51.380 52.037 -0.315 0.000 0.685 359 A CB 3.039 21.719 19.000 -0.533 0.000 1.285 359 A HN -0.496 7.535 8.150 -0.199 0.000 0.405 360 R N 1.882 122.281 120.500 -0.169 0.000 2.202 360 R HA 0.486 nan 4.340 nan 0.000 0.334 360 R C -0.139 176.066 176.300 -0.158 0.000 1.036 360 R CA -0.196 55.807 56.100 -0.162 0.000 0.878 360 R CB 0.418 30.643 30.300 -0.125 0.000 1.067 360 R HN 0.145 8.630 8.270 -0.168 -0.316 0.457 361 L N 3.155 124.267 121.223 -0.185 0.000 2.431 361 L HA 0.100 nan 4.340 nan 0.000 0.260 361 L C -1.388 175.478 176.870 -0.006 0.000 1.098 361 L CA -1.263 53.490 54.840 -0.146 0.000 0.800 361 L CB 1.284 43.192 42.059 -0.251 0.000 1.210 361 L HN 0.246 8.330 8.230 -0.244 0.000 0.465 362 A N -1.884 121.012 122.820 0.126 0.000 2.408 362 A HA 0.287 nan 4.320 nan 0.000 0.295 362 A C -1.001 176.806 177.584 0.372 0.000 1.040 362 A CA -1.456 50.718 52.037 0.228 0.000 0.707 362 A CB 2.151 21.250 19.000 0.165 0.000 1.235 362 A HN -0.092 8.119 8.150 0.101 0.000 0.418 363 L N 2.276 123.664 121.223 0.275 0.000 2.467 363 L HA 0.086 nan 4.340 nan 0.000 0.270 363 L C -1.591 175.279 176.870 -0.001 0.000 1.205 363 L CA -1.961 52.882 54.840 0.005 0.000 0.828 363 L CB 0.099 42.095 42.059 -0.104 0.000 1.101 363 L HN 0.474 8.860 8.230 0.259 0.000 0.479 364 P HA -0.066 nan 4.420 nan 0.000 0.266 364 P C -1.753 175.574 177.300 0.045 0.000 1.215 364 P CA -0.171 62.953 63.100 0.040 0.000 0.763 364 P CB 0.261 32.027 31.700 0.110 0.000 0.806 365 D N 6.605 127.027 120.400 0.036 0.000 2.393 365 D HA -0.121 nan 4.640 nan 0.000 0.246 365 D C 1.152 177.484 176.300 0.054 0.000 1.275 365 D CA -0.452 53.571 54.000 0.038 0.000 0.979 365 D CB 0.617 41.430 40.800 0.020 0.000 1.101 365 D HN -0.020 8.687 8.370 0.017 -0.327 0.505 366 E N -1.937 118.294 120.200 0.052 0.000 2.209 366 E HA -0.333 nan 4.350 nan 0.000 0.196 366 E C 1.930 178.563 176.600 0.056 0.000 0.993 366 E CA 3.766 60.203 56.400 0.062 0.000 0.819 366 E CB -0.141 29.591 29.700 0.052 0.000 0.745 366 E HN 0.459 8.846 8.360 0.045 0.000 0.477 367 E N -2.361 117.855 120.200 0.027 0.000 2.216 367 E HA -0.122 nan 4.350 nan 0.000 0.192 367 E C 1.888 178.486 176.600 -0.003 0.000 0.973 367 E CA 2.200 58.609 56.400 0.016 0.000 0.851 367 E CB 0.072 29.769 29.700 -0.005 0.000 0.804 367 E HN -0.122 8.478 8.360 0.015 -0.230 0.477 368 D N 1.387 121.758 120.400 -0.047 0.000 2.123 368 D HA -0.315 nan 4.640 nan 0.000 0.196 368 D C 2.439 178.733 176.300 -0.011 0.000 0.992 368 D CA 3.235 57.156 54.000 -0.131 0.000 0.833 368 D CB -0.507 40.233 40.800 -0.099 0.000 0.954 368 D HN -0.223 8.413 8.370 -0.036 -0.288 0.455 369 Q N -0.752 119.106 119.800 0.097 0.000 2.030 369 Q HA -0.372 nan 4.340 nan 0.000 0.204 369 Q C 2.162 178.214 176.000 0.087 0.000 0.986 369 Q CA 3.204 59.078 55.803 0.118 0.000 0.843 369 Q CB -0.212 28.648 28.738 0.202 0.000 0.904 369 Q HN 0.068 8.391 8.270 0.090 0.001 0.420 370 A N -0.950 121.927 122.820 0.094 0.000 1.948 370 A HA -0.289 nan 4.320 nan 0.000 0.220 370 A C 1.943 179.572 177.584 0.075 0.000 1.177 370 A CA 2.806 54.895 52.037 0.088 0.000 0.636 370 A CB -0.885 18.161 19.000 0.078 0.000 0.815 370 A HN -0.611 7.518 8.150 0.088 0.073 0.449 371 W N -0.820 120.382 121.300 -0.163 0.000 2.381 371 W HA -0.387 nan 4.660 nan 0.000 0.301 371 W C 1.622 177.996 176.519 -0.242 0.000 1.205 371 W CA 3.998 61.205 57.345 -0.230 0.000 1.285 371 W CB 0.154 29.400 29.460 -0.356 0.000 1.133 371 W HN -0.376 7.895 8.180 0.167 0.010 0.521 372 F N -1.528 118.384 119.950 -0.063 0.000 2.069 372 F HA -0.545 nan 4.527 nan 0.000 0.298 372 F C 2.096 177.735 175.800 -0.267 0.000 1.113 372 F CA 3.658 61.397 58.000 -0.434 0.000 1.214 372 F CB -0.432 37.754 39.000 -1.358 0.000 0.978 372 F HN 0.043 8.258 8.300 -0.004 0.083 0.474 373 E N -0.977 119.275 120.200 0.086 0.000 2.153 373 E HA -0.310 nan 4.350 nan 0.000 0.194 373 E C 1.639 178.305 176.600 0.110 0.000 0.988 373 E CA 2.275 58.808 56.400 0.222 0.000 0.811 373 E CB -0.415 29.428 29.700 0.239 0.000 0.746 373 E HN -0.001 8.390 8.360 0.053 0.000 0.466 374 A N -1.501 121.296 122.820 -0.038 0.000 1.929 374 A HA -0.062 nan 4.320 nan 0.000 0.216 374 A C 1.495 178.941 177.584 -0.230 0.000 1.176 374 A CA 2.238 54.204 52.037 -0.118 0.000 0.628 374 A CB 0.105 19.005 19.000 -0.167 0.000 0.816 374 A HN -0.370 7.630 8.150 -0.064 0.112 0.444 375 N N -3.822 114.627 118.700 -0.417 0.000 2.392 375 N HA -0.020 nan 4.740 nan 0.000 0.177 375 N C -0.375 174.722 175.510 -0.688 0.000 1.066 375 N CA 1.301 53.956 53.050 -0.660 0.000 0.895 375 N CB 1.808 39.620 38.487 -1.124 0.000 0.988 375 N HN -0.360 7.670 8.380 -0.430 0.092 0.457 376 Y N -1.469 118.816 120.300 -0.026 0.000 2.544 376 Y HA 0.346 nan 4.550 nan 0.000 0.347 376 Y C -2.586 173.604 175.900 0.483 0.000 1.089 376 Y CA -2.999 55.228 58.100 0.211 0.000 1.230 376 Y CB 0.644 39.200 38.460 0.160 0.000 1.101 376 Y HN 0.006 8.355 8.280 0.116 0.000 0.641 377 P HA -0.207 nan 4.420 nan 0.000 0.263 377 P C -0.387 177.260 177.300 0.578 0.000 1.195 377 P CA 0.557 63.914 63.100 0.429 0.000 0.762 377 P CB -0.521 31.349 31.700 0.283 0.000 0.799 378 G N 2.341 111.429 108.800 0.480 0.000 2.278 378 G HA2 -0.241 nan 3.960 nan 0.000 0.210 378 G HA3 -0.241 nan 3.960 nan 0.000 0.210 378 G C 0.435 175.561 174.900 0.378 0.000 1.000 378 G CA -0.299 45.013 45.100 0.353 0.000 0.635 378 G HN -0.267 8.707 8.290 0.415 -0.435 0.495 379 W N 3.221 124.813 121.300 0.486 0.000 2.335 379 W HA -0.516 nan 4.660 nan 0.000 0.311 379 W C 0.705 177.374 176.519 0.250 0.000 1.213 379 W CA 4.426 62.065 57.345 0.491 0.000 1.274 379 W CB 0.238 29.951 29.460 0.423 0.000 1.148 379 W HN -0.014 8.677 8.180 0.974 0.073 0.498 380 A N -2.045 121.177 122.820 0.669 0.000 1.865 380 A HA -0.536 nan 4.320 nan 0.000 0.217 380 A C 1.336 178.957 177.584 0.062 0.000 1.191 380 A CA 3.709 56.014 52.037 0.447 0.000 0.623 380 A CB -1.329 17.919 19.000 0.413 0.000 0.826 380 A HN 0.263 9.214 8.150 0.742 -0.356 0.444 381 D N -4.603 115.827 120.400 0.050 0.000 2.221 381 D HA -0.284 nan 4.640 nan 0.000 0.204 381 D C 0.819 177.032 176.300 -0.146 0.000 0.982 381 D CA 2.876 56.852 54.000 -0.041 0.000 0.857 381 D CB 0.185 40.974 40.800 -0.018 0.000 0.934 381 D HN 0.402 8.849 8.370 0.128 0.000 0.475 382 H N -2.479 116.344 119.070 -0.411 0.000 2.332 382 H HA -0.014 nan 4.556 nan 0.000 0.316 382 H C 1.803 176.602 175.328 -0.882 0.000 1.069 382 H CA 2.312 57.959 56.048 -0.669 0.000 1.484 382 H CB 1.104 30.337 29.762 -0.882 0.000 1.496 382 H HN -0.865 7.270 8.280 -0.187 0.033 0.623 383 Y N -1.674 117.921 120.300 -1.174 0.000 2.220 383 Y HA -0.229 nan 4.550 nan 0.000 0.291 383 Y C 2.398 177.457 175.900 -1.402 0.000 1.129 383 Y CA 3.225 60.369 58.100 -1.593 0.000 1.161 383 Y CB -0.189 37.120 38.460 -1.917 0.000 0.997 383 Y HN 0.087 7.660 8.280 -1.178 0.000 0.522 384 G N -0.957 107.198 108.800 -1.074 0.000 2.514 384 G HA2 -0.476 nan 3.960 nan 0.000 0.217 384 G HA3 -0.476 nan 3.960 nan 0.000 0.217 384 G C 1.153 175.882 174.900 -0.284 0.000 1.198 384 G CA 2.034 46.914 45.100 -0.367 0.000 0.780 384 G HN 0.016 7.606 8.290 -1.166 0.000 0.565 385 K N 2.061 122.267 120.400 -0.323 0.000 2.059 385 K HA -0.415 nan 4.320 nan 0.000 0.212 385 K C 2.642 178.978 176.600 -0.440 0.000 1.050 385 K CA 3.353 59.469 56.287 -0.286 0.000 0.927 385 K CB -0.132 32.230 32.500 -0.229 0.000 0.714 385 K HN -0.431 7.626 8.250 -0.321 0.000 0.447 386 I N -0.862 119.274 120.570 -0.722 0.000 2.202 386 I HA -0.488 nan 4.170 nan 0.000 0.242 386 I C 2.055 177.332 176.117 -1.401 0.000 1.091 386 I CA 3.619 64.246 61.300 -1.121 0.000 1.368 386 I CB -0.119 37.068 38.000 -1.354 0.000 1.058 386 I HN -0.849 6.899 8.210 -0.769 0.000 0.410 387 F N -0.821 118.508 119.950 -1.035 0.000 2.134 387 F HA -0.469 nan 4.527 nan 0.000 0.299 387 F C 2.268 177.795 175.800 -0.455 0.000 1.097 387 F CA 3.408 60.929 58.000 -0.798 0.000 1.264 387 F CB -1.092 37.589 39.000 -0.532 0.000 1.001 387 F HN -0.101 7.560 8.300 -1.064 0.000 0.479 388 N N -1.020 117.591 118.700 -0.149 0.000 2.142 388 N HA -0.361 nan 4.740 nan 0.000 0.186 388 N C 1.897 177.352 175.510 -0.091 0.000 1.023 388 N CA 2.964 55.972 53.050 -0.071 0.000 0.852 388 N CB -0.177 38.288 38.487 -0.037 0.000 0.998 388 N HN -0.024 8.241 8.380 -0.192 0.000 0.424 389 E N 1.384 121.464 120.200 -0.200 0.000 2.097 389 E HA -0.301 nan 4.350 nan 0.000 0.196 389 E C 2.220 178.787 176.600 -0.056 0.000 1.000 389 E CA 2.990 59.294 56.400 -0.159 0.000 0.804 389 E CB -0.407 29.128 29.700 -0.275 0.000 0.740 389 E HN -0.117 8.060 8.360 -0.306 0.000 0.454 390 W N -1.961 119.194 121.300 -0.243 0.000 2.388 390 W HA -0.165 nan 4.660 nan 0.000 0.294 390 W C 2.198 178.736 176.519 0.032 0.000 1.212 390 W CA 1.124 58.418 57.345 -0.085 0.000 1.271 390 W CB -0.549 28.900 29.460 -0.018 0.000 1.126 390 W HN -0.223 7.792 8.180 -0.263 0.008 0.535 391 K N -0.540 119.989 120.400 0.215 0.000 2.057 391 K HA -0.369 nan 4.320 nan 0.000 0.207 391 K C 2.891 179.562 176.600 0.118 0.000 1.049 391 K CA 3.316 59.714 56.287 0.186 0.000 0.931 391 K CB -0.242 32.319 32.500 0.101 0.000 0.714 391 K HN -0.386 7.851 8.250 0.124 0.088 0.440 392 K N -1.106 119.318 120.400 0.040 0.000 2.155 392 K HA -0.209 nan 4.320 nan 0.000 0.203 392 K C 1.689 178.249 176.600 -0.067 0.000 1.052 392 K CA 2.552 58.837 56.287 -0.002 0.000 0.948 392 K CB -0.114 32.377 32.500 -0.016 0.000 0.728 392 K HN -0.354 7.906 8.250 0.029 0.006 0.448 393 L N -3.469 117.637 121.223 -0.195 0.000 2.551 393 L HA -0.125 nan 4.340 nan 0.000 0.228 393 L C 0.509 177.131 176.870 -0.413 0.000 1.153 393 L CA 0.710 55.244 54.840 -0.510 0.000 0.851 393 L CB 0.102 41.438 42.059 -1.204 0.000 0.959 393 L HN -0.464 7.567 8.230 -0.147 0.112 0.451 394 G N -3.623 105.153 108.800 -0.040 0.000 2.143 394 G HA2 -0.338 nan 3.960 nan 0.000 0.175 394 G HA3 -0.338 nan 3.960 nan 0.000 0.175 394 G C 0.799 176.025 174.900 0.543 0.000 1.004 394 G CA -0.492 44.733 45.100 0.209 0.000 0.671 394 G HN -0.759 7.371 8.290 0.026 0.176 0.512 395 Y N 1.559 122.167 120.300 0.513 0.000 2.133 395 Y HA -0.531 nan 4.550 nan 0.000 0.279 395 Y C -1.009 175.113 175.900 0.370 0.000 1.209 395 Y CA 4.486 62.919 58.100 0.556 0.000 1.152 395 Y CB 0.125 38.848 38.460 0.438 0.000 0.961 395 Y HN -0.215 8.402 8.280 0.563 0.000 0.512 396 E N -6.376 114.057 120.200 0.389 0.000 2.460 396 E HA -0.026 nan 4.350 nan 0.000 0.200 396 E C -0.700 176.223 176.600 0.538 0.000 1.011 396 E CA -0.522 56.072 56.400 0.323 0.000 0.912 396 E CB 0.564 30.421 29.700 0.263 0.000 0.953 396 E HN -0.047 8.566 8.360 0.456 0.020 0.494 397 D N 1.997 122.654 120.400 0.429 0.000 2.316 397 D HA 0.278 nan 4.640 nan 0.000 0.245 397 D C -1.219 175.034 176.300 -0.079 0.000 1.171 397 D CA -3.106 51.002 54.000 0.179 0.000 0.856 397 D CB 0.846 41.703 40.800 0.095 0.000 1.090 397 D HN -0.579 7.935 8.370 0.428 0.113 0.476 398 P HA -0.086 nan 4.420 nan 0.000 0.230 398 P C 0.281 177.138 177.300 -0.739 0.000 1.158 398 P CA 1.362 63.554 63.100 -1.514 0.000 0.769 398 P CB 0.125 31.155 31.700 -1.116 0.000 0.807 399 K N -2.541 117.642 120.400 -0.362 0.000 2.400 399 K HA 0.046 nan 4.320 nan 0.000 0.194 399 K C 1.212 177.750 176.600 -0.103 0.000 1.033 399 K CA 0.120 56.289 56.287 -0.196 0.000 1.021 399 K CB -0.976 31.454 32.500 -0.117 0.000 0.808 399 K HN -0.558 7.708 8.250 -0.288 -0.188 0.505 400 S N -0.917 114.751 115.700 -0.054 0.000 2.428 400 S HA -0.085 nan 4.470 nan 0.000 0.230 400 S C 0.905 175.598 174.600 0.154 0.000 1.014 400 S CA 0.877 59.132 58.200 0.093 0.000 0.957 400 S CB 0.180 63.513 63.200 0.222 0.000 0.784 400 S HN -0.463 7.635 8.310 -0.098 0.153 0.499 401 G N 1.736 110.604 108.800 0.113 0.000 2.225 401 G HA2 -0.277 nan 3.960 nan 0.000 0.267 401 G HA3 -0.277 nan 3.960 nan 0.000 0.267 401 G C -0.930 174.167 174.900 0.328 0.000 1.024 401 G CA 0.557 45.762 45.100 0.176 0.000 0.784 401 G HN -0.255 7.979 8.290 -0.055 0.023 0.507 402 F N 0.540 120.663 119.950 0.289 0.000 2.436 402 F HA 0.266 nan 4.527 nan 0.000 0.340 402 F C -1.947 174.008 175.800 0.259 0.000 1.113 402 F CA -1.029 57.118 58.000 0.245 0.000 1.022 402 F CB 2.208 41.340 39.000 0.221 0.000 1.128 402 F HN -0.909 7.760 8.300 0.646 0.019 0.466 403 I N 6.142 126.351 120.570 -0.600 0.000 2.466 403 I HA 0.374 nan 4.170 nan 0.000 0.289 403 I C -1.700 173.857 176.117 -0.932 0.000 1.026 403 I CA -3.956 56.970 61.300 -0.623 0.000 1.078 403 I CB 1.735 39.553 38.000 -0.303 0.000 1.249 403 I HN 0.158 8.125 8.210 -0.404 0.000 0.429 404 P HA -0.217 nan 4.420 nan 0.000 0.217 404 P C 0.650 177.712 177.300 -0.396 0.000 1.148 404 P CA 2.381 64.873 63.100 -1.013 0.000 0.828 404 P CB 0.108 30.991 31.700 -1.362 0.000 0.783 405 Y N -1.797 118.295 120.300 -0.347 0.000 2.181 405 Y HA -0.445 nan 4.550 nan 0.000 0.288 405 Y C 1.355 177.186 175.900 -0.115 0.000 1.146 405 Y CA 3.591 61.586 58.100 -0.176 0.000 1.164 405 Y CB -0.354 37.980 38.460 -0.209 0.000 0.982 405 Y HN -0.641 7.516 8.280 -0.174 0.019 0.515 406 Q N -1.898 117.762 119.800 -0.234 0.000 2.119 406 Q HA -0.429 nan 4.340 nan 0.000 0.201 406 Q C 2.029 177.972 176.000 -0.095 0.000 0.972 406 Q CA 3.163 58.828 55.803 -0.231 0.000 0.847 406 Q CB -0.326 28.345 28.738 -0.112 0.000 0.903 406 Q HN -0.440 7.729 8.270 -0.169 0.000 0.433 407 W N 1.127 122.333 121.300 -0.156 0.000 2.388 407 W HA -0.343 nan 4.660 nan 0.000 0.294 407 W C 1.635 178.175 176.519 0.035 0.000 1.212 407 W CA 3.765 61.132 57.345 0.037 0.000 1.271 407 W CB 0.059 29.648 29.460 0.213 0.000 1.126 407 W HN -0.655 7.481 8.180 0.066 0.083 0.535 408 L N -1.172 120.216 121.223 0.274 0.000 1.970 408 L HA -0.598 nan 4.340 nan 0.000 0.212 408 L C 2.067 178.843 176.870 -0.157 0.000 1.071 408 L CA 3.545 58.488 54.840 0.172 0.000 0.751 408 L CB -0.327 41.814 42.059 0.137 0.000 0.889 408 L HN 0.025 8.297 8.230 0.232 0.097 0.432 409 L N -2.124 118.899 121.223 -0.334 0.000 1.989 409 L HA -0.476 nan 4.340 nan 0.000 0.211 409 L C 2.510 179.191 176.870 -0.315 0.000 1.071 409 L CA 3.056 57.675 54.840 -0.368 0.000 0.749 409 L CB -0.699 41.086 42.059 -0.456 0.000 0.890 409 L HN -0.235 7.732 8.230 -0.439 0.000 0.431 410 A N -1.739 120.906 122.820 -0.291 0.000 2.024 410 A HA -0.267 nan 4.320 nan 0.000 0.220 410 A C 0.997 178.369 177.584 -0.353 0.000 1.164 410 A CA 2.697 54.572 52.037 -0.270 0.000 0.643 410 A CB -0.561 18.316 19.000 -0.206 0.000 0.806 410 A HN 0.316 8.307 8.150 -0.265 0.000 0.451 411 N N -3.068 115.334 118.700 -0.496 0.000 2.321 411 N HA 0.053 nan 4.740 nan 0.000 0.242 411 N C -0.173 174.885 175.510 -0.753 0.000 1.141 411 N CA -0.405 52.294 53.050 -0.584 0.000 0.864 411 N CB 0.207 38.222 38.487 -0.786 0.000 1.100 411 N HN -0.546 7.402 8.380 -0.501 0.132 0.510 412 G N -0.553 107.912 108.800 -0.559 0.000 2.162 412 G HA2 -0.452 nan 3.960 nan 0.000 0.260 412 G HA3 -0.452 nan 3.960 nan 0.000 0.260 412 G C -0.619 173.950 174.900 -0.553 0.000 0.976 412 G CA 0.868 45.654 45.100 -0.524 0.000 0.655 412 G HN -0.006 7.858 8.290 -0.427 0.170 0.533 413 H N 1.502 120.460 119.070 -0.186 0.000 2.787 413 H HA 0.085 nan 4.556 nan 0.000 0.275 413 H C -1.287 173.953 175.328 -0.147 0.000 1.183 413 H CA -1.364 54.612 56.048 -0.119 0.000 1.290 413 H CB -0.154 29.572 29.762 -0.060 0.000 1.438 413 H HN 0.085 7.950 8.280 -0.482 0.127 0.487 414 D N 4.312 124.663 120.400 -0.081 0.000 2.225 414 D HA 0.019 nan 4.640 nan 0.000 0.249 414 D C -0.879 175.183 176.300 -0.396 0.000 1.052 414 D CA -0.043 53.779 54.000 -0.297 0.000 0.909 414 D CB 1.864 42.431 40.800 -0.387 0.000 1.186 414 D HN -0.239 8.123 8.370 -0.013 0.000 0.431 415 V N 1.264 120.933 119.914 -0.408 0.000 2.398 415 V HA 0.168 nan 4.120 nan 0.000 0.286 415 V C -0.871 175.037 176.094 -0.310 0.000 1.026 415 V CA -0.926 61.284 62.300 -0.151 0.000 0.868 415 V CB 0.580 32.559 31.823 0.260 0.000 0.982 415 V HN 0.037 8.003 8.190 -0.373 0.000 0.443 416 Y N 5.321 125.785 120.300 0.274 0.000 2.509 416 Y HA 0.307 nan 4.550 nan 0.000 0.341 416 Y C -1.032 175.045 175.900 0.294 0.000 1.038 416 Y CA -2.121 56.144 58.100 0.276 0.000 1.089 416 Y CB 3.574 42.168 38.460 0.223 0.000 1.241 416 Y HN 0.679 9.028 8.280 0.303 0.113 0.468 417 I N 0.234 121.036 120.570 0.388 0.000 2.404 417 I HA 0.180 nan 4.170 nan 0.000 0.293 417 I C -1.280 174.915 176.117 0.131 0.000 0.992 417 I CA -3.150 58.284 61.300 0.222 0.000 1.149 417 I CB 0.945 39.031 38.000 0.143 0.000 1.315 417 I HN 0.381 8.835 8.210 0.407 0.000 0.446 418 D N 5.758 126.197 120.400 0.064 0.000 2.338 418 D HA -0.052 nan 4.640 nan 0.000 0.255 418 D C 0.874 177.133 176.300 -0.069 0.000 1.237 418 D CA -0.225 53.759 54.000 -0.026 0.000 0.883 418 D CB 1.139 41.913 40.800 -0.044 0.000 1.087 418 D HN -0.313 8.104 8.370 0.078 0.000 0.485 419 R N 7.719 128.145 120.500 -0.123 0.000 2.276 419 R HA -0.355 nan 4.340 nan 0.000 0.243 419 R C 0.074 176.306 176.300 -0.112 0.000 1.161 419 R CA 2.413 58.432 56.100 -0.136 0.000 1.007 419 R CB -0.151 29.982 30.300 -0.278 0.000 0.867 419 R HN 0.068 8.249 8.270 -0.149 0.000 0.472 420 V N -3.715 116.099 119.914 -0.166 0.000 2.627 420 V HA -0.020 nan 4.120 nan 0.000 0.239 420 V C 1.321 177.337 176.094 -0.131 0.000 1.077 420 V CA 2.326 64.484 62.300 -0.236 0.000 1.103 420 V CB 0.275 31.838 31.823 -0.433 0.000 0.802 420 V HN -0.446 7.878 8.190 -0.169 -0.235 0.482 421 S N -1.402 114.234 115.700 -0.108 0.000 2.458 421 S HA -0.074 nan 4.470 nan 0.000 0.223 421 S C 0.826 175.356 174.600 -0.117 0.000 1.019 421 S CA 1.700 59.836 58.200 -0.107 0.000 0.937 421 S CB 1.771 64.918 63.200 -0.087 0.000 0.788 421 S HN -0.511 8.015 8.310 -0.099 -0.276 0.511 422 Q N -4.752 115.001 119.800 -0.079 0.000 2.402 422 Q HA -0.246 nan 4.340 nan 0.000 0.156 422 Q C -0.113 175.878 176.000 -0.014 0.000 0.563 422 Q CA 1.268 57.030 55.803 -0.069 0.000 1.312 422 Q CB -1.048 27.604 28.738 -0.143 0.000 1.149 422 Q HN 0.032 8.164 8.270 -0.068 0.098 1.029 423 V N 2.915 122.834 119.914 0.008 0.000 2.540 423 V HA -0.056 nan 4.120 nan 0.000 0.297 423 V C -1.352 174.799 176.094 0.096 0.000 1.024 423 V CA -0.528 61.801 62.300 0.049 0.000 1.105 423 V CB -0.710 31.125 31.823 0.021 0.000 0.938 423 V HN -0.662 7.403 8.190 -0.021 0.112 0.482 424 P HA 0.223 nan 4.420 nan 0.000 0.269 424 P C -1.897 175.603 177.300 0.333 0.000 1.215 424 P CA 0.143 63.364 63.100 0.201 0.000 0.780 424 P CB 0.471 32.254 31.700 0.138 0.000 0.898 425 F N 2.677 122.738 119.950 0.186 0.000 2.607 425 F HA 0.295 nan 4.527 nan 0.000 0.322 425 F C -2.215 173.753 175.800 0.279 0.000 1.176 425 F CA -0.526 57.601 58.000 0.212 0.000 0.977 425 F CB 4.076 43.200 39.000 0.207 0.000 1.242 425 F HN 0.559 9.110 8.300 0.419 0.000 0.465 426 I N 7.423 127.812 120.570 -0.301 0.000 2.620 426 I HA 0.368 nan 4.170 nan 0.000 0.280 426 I C -0.904 174.858 176.117 -0.592 0.000 1.143 426 I CA -3.871 57.273 61.300 -0.260 0.000 1.163 426 I CB 0.294 38.259 38.000 -0.058 0.000 1.461 426 I HN 0.423 8.472 8.210 -0.268 0.000 0.530 427 P HA -0.200 nan 4.420 nan 0.000 0.217 427 P C -0.061 177.121 177.300 -0.197 0.000 1.148 427 P CA 2.381 65.088 63.100 -0.655 0.000 0.828 427 P CB -0.297 31.270 31.700 -0.222 0.000 0.783 428 S N -3.418 112.248 115.700 -0.057 0.000 2.453 428 S HA -0.117 nan 4.470 nan 0.000 0.231 428 S C 1.143 175.744 174.600 0.003 0.000 1.005 428 S CA 2.125 60.358 58.200 0.055 0.000 0.949 428 S CB 0.112 63.467 63.200 0.258 0.000 0.774 428 S HN 0.174 8.451 8.310 -0.023 0.020 0.510 429 L N -1.235 119.950 121.223 -0.065 0.000 2.920 429 L HA 0.253 nan 4.340 nan 0.000 0.257 429 L C -1.093 175.778 176.870 0.001 0.000 1.150 429 L CA -0.963 53.843 54.840 -0.056 0.000 0.959 429 L CB 1.260 43.239 42.059 -0.133 0.000 1.321 429 L HN -0.407 7.623 8.230 -0.096 0.143 0.555 430 A N -0.136 122.646 122.820 -0.064 0.000 2.477 430 A HA -0.104 nan 4.320 nan 0.000 0.246 430 A C -0.932 176.683 177.584 0.053 0.000 1.078 430 A CA 1.243 53.302 52.037 0.037 0.000 0.770 430 A CB -0.165 18.829 19.000 -0.010 0.000 1.011 430 A HN -0.061 7.884 8.150 -0.150 0.116 0.494 431 K N 3.252 123.739 120.400 0.145 0.000 2.412 431 K HA 0.109 nan 4.320 nan 0.000 0.202 431 K C 0.638 177.371 176.600 0.222 0.000 1.102 431 K CA -0.710 55.598 56.287 0.035 0.000 1.027 431 K CB 1.116 33.503 32.500 -0.187 0.000 0.931 431 K HN 0.080 8.970 8.250 0.269 -0.478 0.557 432 G N -0.260 108.748 108.800 0.347 0.000 2.647 432 G HA2 -0.060 nan 3.960 nan 0.000 0.271 432 G HA3 -0.060 nan 3.960 nan 0.000 0.271 432 G C 0.434 175.518 174.900 0.308 0.000 1.300 432 G CA -0.146 45.177 45.100 0.371 0.000 0.997 432 G HN -0.447 8.248 8.290 0.349 -0.195 0.533 433 T N -4.052 110.668 114.554 0.278 0.000 3.129 433 T HA 0.089 nan 4.350 nan 0.000 0.251 433 T C 1.531 176.352 174.700 0.202 0.000 1.117 433 T CA 0.129 62.373 62.100 0.239 0.000 1.034 433 T CB 0.124 69.142 68.868 0.249 0.000 0.968 433 T HN -0.178 8.507 8.240 0.274 -0.281 0.526 434 G N 1.362 110.262 108.800 0.167 0.000 2.621 434 G HA2 0.114 nan 3.960 nan 0.000 0.271 434 G HA3 0.114 nan 3.960 nan 0.000 0.271 434 G C -1.599 173.291 174.900 -0.018 0.000 1.236 434 G CA -0.755 44.319 45.100 -0.042 0.000 0.958 434 G HN -0.185 8.193 8.290 0.217 0.043 0.512 435 S N -2.688 112.883 115.700 -0.214 0.000 2.567 435 S HA 0.025 nan 4.470 nan 0.000 0.270 435 S C -1.751 172.786 174.600 -0.106 0.000 1.152 435 S CA -0.470 57.740 58.200 0.017 0.000 0.835 435 S CB 2.209 65.450 63.200 0.068 0.000 1.115 435 S HN 0.088 8.103 8.310 -0.306 0.111 0.459 436 L N 0.747 121.995 121.223 0.042 0.000 2.371 436 L HA 0.472 nan 4.340 nan 0.000 0.272 436 L C -1.025 175.712 176.870 -0.221 0.000 1.124 436 L CA 0.052 54.808 54.840 -0.141 0.000 0.816 436 L CB 0.954 42.883 42.059 -0.217 0.000 1.129 436 L HN 0.215 8.557 8.230 0.187 0.000 0.448 437 R N 4.123 124.420 120.500 -0.339 0.000 2.515 437 R HA 0.287 nan 4.340 nan 0.000 0.291 437 R C -2.088 173.848 176.300 -0.606 0.000 1.046 437 R CA -0.821 55.039 56.100 -0.401 0.000 0.914 437 R CB 2.923 32.982 30.300 -0.401 0.000 1.191 437 R HN 0.041 8.088 8.270 -0.372 0.000 0.435 438 V N 4.876 124.462 119.914 -0.547 0.000 2.409 438 V HA 0.526 nan 4.120 nan 0.000 0.291 438 V C -0.866 175.111 176.094 -0.195 0.000 1.020 438 V CA -1.189 60.809 62.300 -0.503 0.000 0.848 438 V CB 1.516 32.904 31.823 -0.725 0.000 0.990 438 V HN 0.358 8.312 8.190 -0.394 0.000 0.430 439 H N 7.307 126.344 119.070 -0.055 0.000 2.731 439 H HA 0.449 nan 4.556 nan 0.000 0.368 439 H C -1.854 173.581 175.328 0.178 0.000 1.168 439 H CA -2.458 53.639 56.048 0.082 0.000 1.181 439 H CB 3.659 33.521 29.762 0.166 0.000 1.743 439 H HN 0.342 8.500 8.280 -0.204 0.000 0.547 440 E N 0.159 120.579 120.200 0.366 0.000 2.199 440 E HA 0.528 nan 4.350 nan 0.000 0.269 440 E C -1.519 175.360 176.600 0.466 0.000 0.899 440 E CA -1.660 54.940 56.400 0.332 0.000 0.772 440 E CB 2.451 32.270 29.700 0.198 0.000 1.155 440 E HN 0.148 8.705 8.360 0.329 0.000 0.408 441 F N 6.745 126.889 119.950 0.324 0.000 2.630 441 F HA 0.273 nan 4.527 nan 0.000 0.325 441 F C -1.125 174.815 175.800 0.233 0.000 1.184 441 F CA 0.287 58.458 58.000 0.284 0.000 1.011 441 F CB 2.785 42.009 39.000 0.374 0.000 1.268 441 F HN 1.006 9.506 8.300 0.518 0.110 0.480 442 N N 8.328 126.710 118.700 -0.530 0.000 2.721 442 N HA -0.332 nan 4.740 nan 0.000 0.249 442 N C 0.056 175.515 175.510 -0.086 0.000 1.072 442 N CA 0.442 53.252 53.050 -0.401 0.000 0.710 442 N CB -0.607 37.554 38.487 -0.543 0.000 0.993 442 N HN 0.739 8.773 8.380 -0.577 0.000 0.547 443 G N -6.917 101.876 108.800 -0.012 0.000 2.157 443 G HA2 -0.444 nan 3.960 nan 0.000 0.248 443 G HA3 -0.444 nan 3.960 nan 0.000 0.248 443 G C -1.430 173.510 174.900 0.066 0.000 0.979 443 G CA -0.182 44.936 45.100 0.030 0.000 0.650 443 G HN 0.054 8.320 8.290 -0.015 0.015 0.529 444 K N 1.180 121.657 120.400 0.128 0.000 2.324 444 K HA 0.332 nan 4.320 nan 0.000 0.253 444 K C -1.509 175.074 176.600 -0.028 0.000 0.932 444 K CA -1.951 54.370 56.287 0.056 0.000 0.799 444 K CB 2.612 35.188 32.500 0.126 0.000 1.154 444 K HN -0.333 7.855 8.250 0.195 0.179 0.425 445 K N 4.044 124.326 120.400 -0.197 0.000 2.098 445 K HA 0.605 nan 4.320 nan 0.000 0.261 445 K C -1.016 175.239 176.600 -0.574 0.000 0.987 445 K CA -0.414 55.765 56.287 -0.181 0.000 0.916 445 K CB 1.714 34.194 32.500 -0.032 0.000 1.039 445 K HN 0.496 8.648 8.250 -0.164 0.000 0.455 446 H N 0.815 119.804 119.070 -0.136 0.000 2.856 446 H HA 0.398 nan 4.556 nan 0.000 0.355 446 H C -1.302 173.791 175.328 -0.391 0.000 1.079 446 H CA -1.035 54.814 56.048 -0.331 0.000 1.240 446 H CB 3.748 33.085 29.762 -0.708 0.000 1.701 446 H HN 0.276 8.518 8.280 -0.062 0.000 0.527 447 S N 3.256 118.826 115.700 -0.217 0.000 2.433 447 S HA 0.580 nan 4.470 nan 0.000 0.310 447 S C -1.637 172.805 174.600 -0.264 0.000 1.097 447 S CA -0.925 57.120 58.200 -0.257 0.000 1.103 447 S CB 0.569 63.701 63.200 -0.115 0.000 0.992 447 S HN 0.621 8.842 8.310 -0.148 0.000 0.469 448 L N 4.469 125.490 121.223 -0.337 0.000 2.333 448 L HA 0.401 nan 4.340 nan 0.000 0.269 448 L C -0.031 176.686 176.870 -0.256 0.000 1.010 448 L CA -1.432 53.238 54.840 -0.282 0.000 0.818 448 L CB 2.808 44.687 42.059 -0.300 0.000 1.306 448 L HN 0.508 8.494 8.230 -0.407 0.000 0.430 449 T N -4.976 109.441 114.554 -0.229 0.000 3.058 449 T HA 0.259 nan 4.350 nan 0.000 0.278 449 T C -1.434 173.117 174.700 -0.248 0.000 0.974 449 T CA -0.484 61.401 62.100 -0.360 0.000 0.893 449 T CB 0.906 69.446 68.868 -0.547 0.000 1.138 449 T HN 0.404 8.543 8.240 -0.169 0.000 0.529 450 D N -1.716 118.635 120.400 -0.083 0.000 2.622 450 D HA 0.052 nan 4.640 nan 0.000 0.255 450 D C -0.344 175.926 176.300 -0.050 0.000 1.246 450 D CA -0.322 53.695 54.000 0.029 0.000 0.795 450 D CB 3.041 44.032 40.800 0.319 0.000 1.369 450 D HN -0.929 7.392 8.370 -0.082 0.000 0.425 451 D N 1.255 121.543 120.400 -0.187 0.000 2.144 451 D HA -0.229 nan 4.640 nan 0.000 0.199 451 D C 1.927 177.948 176.300 -0.465 0.000 0.984 451 D CA 3.803 57.562 54.000 -0.402 0.000 0.834 451 D CB -0.272 40.143 40.800 -0.643 0.000 0.955 451 D HN 0.532 8.813 8.370 -0.150 0.000 0.465 452 W N -1.456 119.639 121.300 -0.342 0.000 2.381 452 W HA -0.164 nan 4.660 nan 0.000 0.301 452 W C 2.234 178.661 176.519 -0.153 0.000 1.205 452 W CA 2.737 59.843 57.345 -0.397 0.000 1.285 452 W CB -0.435 28.391 29.460 -1.056 0.000 1.133 452 W HN -0.489 7.507 8.180 -0.465 -0.095 0.521 453 G N -2.576 106.312 108.800 0.147 0.000 2.464 453 G HA2 -0.313 nan 3.960 nan 0.000 0.217 453 G HA3 -0.313 nan 3.960 nan 0.000 0.217 453 G C 0.401 175.319 174.900 0.029 0.000 1.138 453 G CA 1.289 46.437 45.100 0.080 0.000 0.793 453 G HN -0.153 8.541 8.290 0.191 -0.289 0.539 454 E N 2.630 122.840 120.200 0.017 0.000 2.051 454 E HA -0.368 nan 4.350 nan 0.000 0.192 454 E C 1.555 178.211 176.600 0.093 0.000 0.991 454 E CA 3.209 59.644 56.400 0.060 0.000 0.799 454 E CB -0.300 29.401 29.700 0.002 0.000 0.748 454 E HN -0.502 7.853 8.360 -0.008 0.000 0.449 455 R N -0.834 119.672 120.500 0.010 0.000 2.073 455 R HA -0.411 nan 4.340 nan 0.000 0.234 455 R C 2.229 178.556 176.300 0.046 0.000 1.134 455 R CA 3.444 59.547 56.100 0.004 0.000 0.952 455 R CB -0.250 30.028 30.300 -0.037 0.000 0.850 455 R HN -0.360 7.884 8.270 -0.044 0.000 0.433 456 Q N -0.785 119.060 119.800 0.075 0.000 2.112 456 Q HA -0.379 nan 4.340 nan 0.000 0.206 456 Q C 2.550 178.632 176.000 0.138 0.000 0.987 456 Q CA 3.250 59.117 55.803 0.106 0.000 0.858 456 Q CB -0.258 28.497 28.738 0.028 0.000 0.905 456 Q HN -0.301 7.953 8.270 0.070 0.058 0.420 457 W N -0.400 120.845 121.300 -0.091 0.000 2.409 457 W HA -0.237 nan 4.660 nan 0.000 0.299 457 W C 0.996 177.472 176.519 -0.072 0.000 1.203 457 W CA 3.385 60.698 57.345 -0.054 0.000 1.298 457 W CB -0.014 29.357 29.460 -0.147 0.000 1.127 457 W HN -0.194 8.085 8.180 0.175 0.006 0.528 458 L N -2.507 118.629 121.223 -0.146 0.000 2.042 458 L HA -0.415 nan 4.340 nan 0.000 0.210 458 L C 1.815 178.475 176.870 -0.350 0.000 1.076 458 L CA 2.658 57.296 54.840 -0.336 0.000 0.749 458 L CB 0.076 42.075 42.059 -0.100 0.000 0.893 458 L HN -0.147 8.149 8.230 0.110 0.000 0.432 459 I N -3.838 116.623 120.570 -0.183 0.000 2.480 459 I HA -0.213 nan 4.170 nan 0.000 0.251 459 I C 0.881 176.911 176.117 -0.145 0.000 1.124 459 I CA 2.346 63.567 61.300 -0.131 0.000 1.444 459 I CB 0.952 38.932 38.000 -0.033 0.000 1.098 459 I HN -0.158 7.992 8.210 -0.099 0.000 0.428 460 E N -2.191 117.948 120.200 -0.103 0.000 3.659 460 E HA 0.463 nan 4.350 nan 0.000 0.217 460 E C -1.600 174.911 176.600 -0.147 0.000 1.141 460 E CA -2.729 53.624 56.400 -0.079 0.000 1.340 460 E CB -0.177 29.549 29.700 0.043 0.000 1.295 460 E HN -0.238 7.981 8.360 -0.055 0.107 0.434 461 P HA -0.255 nan 4.420 nan 0.000 0.217 461 P C 0.348 177.537 177.300 -0.185 0.000 1.151 461 P CA 2.843 65.574 63.100 -0.615 0.000 0.849 461 P CB -0.254 30.987 31.700 -0.765 0.000 0.787 462 E N -2.460 117.654 120.200 -0.142 0.000 2.502 462 E HA -0.114 nan 4.350 nan 0.000 0.194 462 E C 0.675 177.200 176.600 -0.125 0.000 1.062 462 E CA 0.706 57.060 56.400 -0.078 0.000 0.867 462 E CB -1.537 28.124 29.700 -0.065 0.000 0.888 462 E HN 0.487 8.703 8.360 -0.183 0.034 0.510 463 R N -1.501 118.855 120.500 -0.240 0.000 2.290 463 R HA 0.027 nan 4.340 nan 0.000 0.197 463 R C 0.292 176.190 176.300 -0.670 0.000 0.913 463 R CA 0.544 56.353 56.100 -0.485 0.000 1.040 463 R CB 1.141 31.021 30.300 -0.700 0.000 0.992 463 R HN -0.138 7.842 8.270 -0.206 0.166 0.500 464 Y N -0.886 119.460 120.300 0.077 0.000 2.747 464 Y HA 0.172 nan 4.550 nan 0.000 0.362 464 Y C -1.424 174.576 175.900 0.167 0.000 1.026 464 Y CA -1.480 56.704 58.100 0.141 0.000 1.135 464 Y CB -0.368 38.255 38.460 0.272 0.000 1.175 464 Y HN -0.779 7.450 8.280 -0.015 0.043 0.643 465 E N -0.399 119.895 120.200 0.155 0.000 2.558 465 E HA 0.067 nan 4.350 nan 0.000 0.205 465 E C -0.648 175.909 176.600 -0.071 0.000 1.006 465 E CA -0.832 55.619 56.400 0.084 0.000 0.961 465 E CB 0.137 29.857 29.700 0.033 0.000 1.044 465 E HN 0.024 8.428 8.360 0.074 0.000 0.465 466 C N 2.344 121.635 119.300 -0.015 0.000 2.648 466 C HA -0.047 nan 4.460 nan 0.000 0.406 466 C C 0.630 175.568 174.990 -0.087 0.000 1.406 466 C CA -0.031 58.959 59.018 -0.046 0.000 1.610 466 C CB -0.717 27.023 27.740 -0.000 0.000 2.451 466 C HN 0.097 8.369 8.230 0.071 0.000 0.608 467 H N 7.528 126.590 119.070 -0.013 0.000 2.852 467 H HA -0.142 nan 4.556 nan 0.000 0.362 467 H C -1.007 174.267 175.328 -0.090 0.000 1.122 467 H CA 0.895 56.919 56.048 -0.041 0.000 1.419 467 H CB 0.561 30.283 29.762 -0.066 0.000 1.401 467 H HN 0.319 8.553 8.280 -0.076 0.000 0.609 468 N N -0.402 118.307 118.700 0.015 0.000 2.518 468 N HA 0.102 nan 4.740 nan 0.000 0.284 468 N C 1.069 176.419 175.510 -0.267 0.000 1.230 468 N CA -1.314 51.677 53.050 -0.098 0.000 0.941 468 N CB 1.983 40.448 38.487 -0.036 0.000 1.219 468 N HN -0.342 8.317 8.380 0.045 -0.252 0.560 469 V N -5.750 113.888 119.914 -0.459 0.000 2.490 469 V HA -0.184 nan 4.120 nan 0.000 0.250 469 V C 1.521 177.159 176.094 -0.760 0.000 1.061 469 V CA 2.403 64.222 62.300 -0.802 0.000 1.064 469 V CB -0.563 30.828 31.823 -0.720 0.000 0.670 469 V HN 0.180 8.131 8.190 -0.398 0.000 0.461 470 F N 0.236 120.079 119.950 -0.179 0.000 2.234 470 F HA -0.227 nan 4.527 nan 0.000 0.296 470 F C 2.091 177.857 175.800 -0.056 0.000 1.089 470 F CA 2.522 60.505 58.000 -0.029 0.000 1.343 470 F CB -0.775 38.279 39.000 0.091 0.000 1.040 470 F HN 0.102 8.344 8.300 -0.473 -0.226 0.498 471 E N -1.349 118.899 120.200 0.080 0.000 2.077 471 E HA -0.351 nan 4.350 nan 0.000 0.193 471 E C 2.276 178.858 176.600 -0.030 0.000 0.989 471 E CA 2.595 59.027 56.400 0.053 0.000 0.800 471 E CB -0.527 29.213 29.700 0.067 0.000 0.746 471 E HN -0.302 8.314 8.360 0.051 -0.225 0.452 472 Q N -1.293 118.389 119.800 -0.197 0.000 2.083 472 Q HA -0.130 nan 4.340 nan 0.000 0.198 472 Q C 1.996 177.899 176.000 -0.162 0.000 0.969 472 Q CA 2.157 57.791 55.803 -0.282 0.000 0.838 472 Q CB 0.534 28.933 28.738 -0.565 0.000 0.900 472 Q HN -0.299 7.798 8.270 -0.276 0.008 0.436 473 Y N -3.993 116.184 120.300 -0.204 0.000 2.466 473 Y HA 0.130 nan 4.550 nan 0.000 0.272 473 Y C -0.227 175.646 175.900 -0.045 0.000 1.169 473 Y CA -2.796 55.136 58.100 -0.279 0.000 1.285 473 Y CB -0.530 37.418 38.460 -0.854 0.000 1.078 473 Y HN -0.341 7.556 8.280 -0.461 0.106 0.523 474 E N 0.779 121.088 120.200 0.182 0.000 2.652 474 E HA -0.509 nan 4.350 nan 0.000 0.255 474 E C 0.960 177.672 176.600 0.186 0.000 0.952 474 E CA 1.903 58.436 56.400 0.222 0.000 0.947 474 E CB -0.083 29.710 29.700 0.156 0.000 0.912 474 E HN -0.526 7.843 8.360 0.110 0.057 0.489 475 G N 7.244 116.169 108.800 0.209 0.000 2.184 475 G HA2 -0.528 nan 3.960 nan 0.000 0.264 475 G HA3 -0.528 nan 3.960 nan 0.000 0.264 475 G C -0.920 174.064 174.900 0.140 0.000 0.975 475 G CA 0.258 45.444 45.100 0.144 0.000 0.642 475 G HN 0.889 9.227 8.290 0.265 0.111 0.536 476 R N -0.312 120.307 120.500 0.198 0.000 2.486 476 R HA 0.203 nan 4.340 nan 0.000 0.286 476 R C -1.407 175.012 176.300 0.198 0.000 0.999 476 R CA -1.154 55.038 56.100 0.152 0.000 0.993 476 R CB 1.231 31.589 30.300 0.096 0.000 1.084 476 R HN -0.374 7.990 8.270 0.270 0.068 0.487 477 E N 2.228 122.487 120.200 0.098 0.000 2.259 477 E HA 0.120 nan 4.350 nan 0.000 0.281 477 E C 0.788 177.426 176.600 0.064 0.000 1.037 477 E CA -0.892 55.548 56.400 0.067 0.000 0.854 477 E CB 1.334 31.049 29.700 0.025 0.000 1.051 477 E HN -0.431 8.159 8.360 0.061 -0.193 0.409 478 L N 8.620 129.889 121.223 0.077 0.000 2.064 478 L HA -0.446 nan 4.340 nan 0.000 0.216 478 L C 1.174 178.017 176.870 -0.047 0.000 1.077 478 L CA 3.718 58.598 54.840 0.067 0.000 0.766 478 L CB -0.139 41.893 42.059 -0.044 0.000 0.890 478 L HN 0.726 8.975 8.230 0.033 0.000 0.435 479 S N -2.162 113.510 115.700 -0.045 0.000 2.368 479 S HA -0.394 nan 4.470 nan 0.000 0.225 479 S C 1.981 176.538 174.600 -0.072 0.000 1.030 479 S CA 3.494 61.663 58.200 -0.053 0.000 0.999 479 S CB -0.472 62.716 63.200 -0.021 0.000 0.844 479 S HN -0.297 8.449 8.310 -0.028 -0.453 0.459 480 E N 2.091 122.252 120.200 -0.064 0.000 2.058 480 E HA -0.373 nan 4.350 nan 0.000 0.194 480 E C 2.399 178.915 176.600 -0.139 0.000 0.997 480 E CA 3.178 59.530 56.400 -0.079 0.000 0.801 480 E CB -0.116 29.552 29.700 -0.054 0.000 0.746 480 E HN -0.735 7.789 8.360 -0.042 -0.189 0.450 481 V N 0.337 120.132 119.914 -0.198 0.000 2.295 481 V HA -0.374 nan 4.120 nan 0.000 0.246 481 V C 1.975 177.886 176.094 -0.304 0.000 1.049 481 V CA 4.435 66.516 62.300 -0.365 0.000 1.024 481 V CB -0.698 30.703 31.823 -0.703 0.000 0.648 481 V HN -0.626 7.471 8.190 -0.155 0.000 0.447 482 I N -1.250 119.184 120.570 -0.226 0.000 2.179 482 I HA -0.586 nan 4.170 nan 0.000 0.242 482 I C 1.794 177.830 176.117 -0.136 0.000 1.088 482 I CA 4.409 65.610 61.300 -0.165 0.000 1.357 482 I CB -0.581 37.342 38.000 -0.127 0.000 1.051 482 I HN -0.140 7.950 8.210 -0.201 0.000 0.409 483 A N -1.634 121.112 122.820 -0.123 0.000 1.933 483 A HA -0.297 nan 4.320 nan 0.000 0.218 483 A C 2.141 179.598 177.584 -0.211 0.000 1.175 483 A CA 3.084 55.050 52.037 -0.118 0.000 0.628 483 A CB -1.093 17.857 19.000 -0.084 0.000 0.814 483 A HN 0.324 8.404 8.150 -0.116 0.000 0.444 484 E N 0.157 120.226 120.200 -0.219 0.000 2.106 484 E HA -0.182 nan 4.350 nan 0.000 0.192 484 E C 1.860 178.238 176.600 -0.370 0.000 0.984 484 E CA 1.794 58.033 56.400 -0.269 0.000 0.806 484 E CB 0.203 29.793 29.700 -0.182 0.000 0.750 484 E HN -0.220 8.030 8.360 -0.185 0.000 0.458 485 G N -3.514 105.127 108.800 -0.264 0.000 2.985 485 G HA2 -0.042 nan 3.960 nan 0.000 0.209 485 G HA3 -0.042 nan 3.960 nan 0.000 0.209 485 G C -1.199 173.644 174.900 -0.095 0.000 1.165 485 G CA -0.367 44.629 45.100 -0.174 0.000 0.776 485 G HN -0.484 7.583 8.290 -0.225 0.089 0.541 486 H N -4.145 114.890 119.070 -0.058 0.000 2.941 486 H HA -0.331 nan 4.556 nan 0.000 0.279 486 H C 0.667 175.967 175.328 -0.046 0.000 1.247 486 H CA 0.200 56.217 56.048 -0.051 0.000 1.129 486 H CB -2.099 27.629 29.762 -0.057 0.000 1.313 486 H HN -0.853 7.042 8.280 -0.321 0.192 0.384 487 G N -2.692 106.126 108.800 0.030 0.000 3.094 487 G HA2 -0.116 nan 3.960 nan 0.000 0.208 487 G HA3 -0.116 nan 3.960 nan 0.000 0.208 487 G C -1.809 173.116 174.900 0.041 0.000 1.189 487 G CA 0.364 45.480 45.100 0.027 0.000 0.856 487 G HN 0.146 8.316 8.290 -0.024 0.106 0.510 488 V N -6.379 113.567 119.914 0.054 0.000 2.834 488 V HA 0.740 nan 4.120 nan 0.000 0.313 488 V C -0.694 175.430 176.094 0.051 0.000 1.060 488 V CA -3.456 58.876 62.300 0.054 0.000 0.989 488 V CB 1.456 33.310 31.823 0.052 0.000 1.041 488 V HN -0.866 7.251 8.190 0.076 0.120 0.459 489 R N 0.290 120.818 120.500 0.047 0.000 2.519 489 R HA 0.302 nan 4.340 nan 0.000 0.244 489 R C 2.094 178.411 176.300 0.029 0.000 1.241 489 R CA -1.008 55.114 56.100 0.037 0.000 1.120 489 R CB 0.880 31.206 30.300 0.042 0.000 1.333 489 R HN 0.630 8.831 8.270 0.053 0.101 0.587 490 S N 0.955 116.667 115.700 0.021 0.000 2.392 490 S HA -0.330 nan 4.470 nan 0.000 0.232 490 S C 0.301 174.911 174.600 0.017 0.000 1.041 490 S CA 3.181 61.389 58.200 0.013 0.000 1.026 490 S CB -0.471 62.735 63.200 0.010 0.000 0.845 490 S HN 0.466 8.789 8.310 0.022 0.000 0.465 491 D N -1.714 118.700 120.400 0.023 0.000 2.363 491 D HA -0.055 nan 4.640 nan 0.000 0.226 491 D C 1.474 177.789 176.300 0.026 0.000 1.020 491 D CA -0.456 53.558 54.000 0.023 0.000 0.892 491 D CB -1.065 39.750 40.800 0.025 0.000 0.900 491 D HN -0.452 7.915 8.370 0.027 0.019 0.531 492 G N -0.203 108.616 108.800 0.031 0.000 2.186 492 G HA2 -0.394 nan 3.960 nan 0.000 0.266 492 G HA3 -0.394 nan 3.960 nan 0.000 0.266 492 G C -0.093 174.827 174.900 0.034 0.000 0.982 492 G CA 1.605 46.726 45.100 0.036 0.000 0.670 492 G HN 0.489 8.595 8.290 0.031 0.203 0.533 493 K N -3.520 116.902 120.400 0.037 0.000 2.380 493 K HA 0.166 nan 4.320 nan 0.000 0.200 493 K C -0.441 176.194 176.600 0.058 0.000 1.201 493 K CA 0.835 57.146 56.287 0.039 0.000 0.916 493 K CB 1.691 34.211 32.500 0.033 0.000 1.187 493 K HN -0.037 8.468 8.250 0.037 -0.233 0.498 494 T N 4.264 118.856 114.554 0.064 0.000 2.832 494 T HA 0.275 nan 4.350 nan 0.000 0.296 494 T C -0.921 173.835 174.700 0.093 0.000 0.968 494 T CA 0.987 63.140 62.100 0.089 0.000 1.107 494 T CB 0.185 69.103 68.868 0.083 0.000 0.916 494 T HN -0.189 8.606 8.240 0.054 -0.523 0.517 495 L N 5.624 126.924 121.223 0.127 0.000 2.453 495 L HA -0.008 nan 4.340 nan 0.000 0.272 495 L C 0.908 177.841 176.870 0.105 0.000 1.182 495 L CA 0.505 55.416 54.840 0.119 0.000 0.858 495 L CB -0.105 42.057 42.059 0.171 0.000 1.120 495 L HN -0.085 8.246 8.230 0.169 0.000 0.474 496 I N 4.554 125.173 120.570 0.081 0.000 2.099 496 I HA -0.531 nan 4.170 nan 0.000 0.239 496 I C -0.057 176.096 176.117 0.061 0.000 1.066 496 I CA 4.070 65.411 61.300 0.067 0.000 1.324 496 I CB 0.020 38.065 38.000 0.075 0.000 1.037 496 I HN 0.184 8.438 8.210 0.073 0.000 0.401 497 A N -4.237 118.636 122.820 0.088 0.000 2.406 497 A HA -0.182 nan 4.320 nan 0.000 0.243 497 A C -0.936 176.740 177.584 0.154 0.000 1.082 497 A CA 0.306 52.408 52.037 0.108 0.000 0.786 497 A CB 0.375 19.474 19.000 0.164 0.000 1.029 497 A HN -0.084 8.123 8.150 0.095 0.000 0.495 498 Q N -2.156 117.612 119.800 -0.053 0.000 2.482 498 Q HA 0.424 nan 4.340 nan 0.000 0.286 498 Q C -2.218 173.181 176.000 -1.003 0.000 1.007 498 Q CA -2.529 52.964 55.803 -0.517 0.000 0.801 498 Q CB 2.280 30.730 28.738 -0.479 0.000 1.455 498 Q HN -0.506 7.722 8.270 -0.070 0.000 0.398 499 P HA 0.099 nan 4.420 nan 0.000 0.251 499 P C -2.132 174.953 177.300 -0.359 0.000 1.223 499 P CA 0.882 63.165 63.100 -1.362 0.000 0.796 499 P CB 0.703 31.120 31.700 -2.139 0.000 1.068 500 H N -6.536 112.362 119.070 -0.286 0.000 2.907 500 H HA 0.303 nan 4.556 nan 0.000 0.361 500 H C -0.593 174.719 175.328 -0.026 0.000 1.194 500 H CA -1.740 54.277 56.048 -0.051 0.000 1.152 500 H CB 2.637 32.410 29.762 0.017 0.000 1.867 500 H HN -0.814 6.930 8.280 -0.800 0.056 0.561 501 T N -5.978 108.623 114.554 0.079 0.000 3.174 501 T HA 0.123 nan 4.350 nan 0.000 0.269 501 T C 0.757 175.537 174.700 0.133 0.000 1.017 501 T CA -0.852 61.284 62.100 0.060 0.000 0.899 501 T CB -0.760 68.173 68.868 0.110 0.000 1.077 501 T HN 0.341 8.685 8.240 0.174 0.000 0.552 502 R N 2.073 122.747 120.500 0.290 0.000 2.738 502 R HA -0.024 nan 4.340 nan 0.000 0.275 502 R C 0.802 177.209 176.300 0.179 0.000 1.121 502 R CA -0.323 55.913 56.100 0.227 0.000 1.207 502 R CB 0.982 31.420 30.300 0.230 0.000 1.141 502 R HN -0.687 7.807 8.270 0.503 0.078 0.571 503 G N -3.033 105.822 108.800 0.092 0.000 3.189 503 G HA2 0.001 nan 3.960 nan 0.000 0.225 503 G HA3 0.001 nan 3.960 nan 0.000 0.225 503 G C -1.166 173.787 174.900 0.088 0.000 1.159 503 G CA -0.460 44.677 45.100 0.062 0.000 0.763 503 G HN 0.285 8.609 8.290 0.056 0.000 0.549 504 D N -2.352 118.124 120.400 0.126 0.000 2.547 504 D HA 0.007 nan 4.640 nan 0.000 0.231 504 D C -1.626 174.764 176.300 0.149 0.000 1.099 504 D CA -1.234 52.825 54.000 0.098 0.000 0.901 504 D CB 1.608 42.430 40.800 0.037 0.000 1.478 504 D HN -0.726 7.679 8.370 0.158 0.060 0.471 505 N N -4.653 114.111 118.700 0.106 0.000 2.816 505 N HA -0.377 nan 4.740 nan 0.000 0.247 505 N C -1.645 174.058 175.510 0.322 0.000 1.100 505 N CA 0.231 53.342 53.050 0.101 0.000 0.687 505 N CB -0.660 37.800 38.487 -0.045 0.000 1.003 505 N HN 0.190 8.615 8.380 0.074 0.000 0.554 506 L N -1.480 119.906 121.223 0.271 0.000 2.380 506 L HA -0.025 nan 4.340 nan 0.000 0.273 506 L C 0.239 177.302 176.870 0.321 0.000 1.138 506 L CA 0.027 55.052 54.840 0.309 0.000 0.832 506 L CB 0.320 42.484 42.059 0.174 0.000 1.124 506 L HN -0.434 7.903 8.230 0.179 0.000 0.454 507 W N 4.794 126.173 121.300 0.133 0.000 2.170 507 W HA -0.015 nan 4.660 nan 0.000 0.336 507 W C -0.347 176.240 176.519 0.115 0.000 1.283 507 W CA 0.151 57.587 57.345 0.152 0.000 1.224 507 W CB 0.568 30.189 29.460 0.267 0.000 1.132 507 W HN 0.463 9.447 8.180 0.674 -0.399 0.571 508 T N -2.879 111.834 114.554 0.266 0.000 2.910 508 T HA 0.635 nan 4.350 nan 0.000 0.287 508 T C 1.059 175.851 174.700 0.154 0.000 1.050 508 T CA -2.328 59.870 62.100 0.163 0.000 1.011 508 T CB 3.112 72.028 68.868 0.080 0.000 1.195 508 T HN 0.266 8.919 8.240 0.195 -0.296 0.540 509 L N 0.727 122.005 121.223 0.093 0.000 2.042 509 L HA -0.424 nan 4.340 nan 0.000 0.210 509 L C 1.858 178.759 176.870 0.053 0.000 1.076 509 L CA 4.617 59.493 54.840 0.060 0.000 0.749 509 L CB -0.488 41.588 42.059 0.030 0.000 0.893 509 L HN 0.216 8.493 8.230 0.078 0.000 0.432 510 E N -1.880 118.343 120.200 0.039 0.000 2.085 510 E HA -0.438 nan 4.350 nan 0.000 0.194 510 E C 2.133 178.745 176.600 0.020 0.000 0.994 510 E CA 3.477 59.888 56.400 0.019 0.000 0.801 510 E CB -0.593 29.109 29.700 0.003 0.000 0.743 510 E HN 0.173 8.555 8.360 0.038 0.000 0.453 511 D N -0.490 119.924 120.400 0.023 0.000 2.092 511 D HA -0.270 nan 4.640 nan 0.000 0.193 511 D C 2.575 178.952 176.300 0.129 0.000 0.994 511 D CA 3.006 56.994 54.000 -0.021 0.000 0.828 511 D CB -0.459 40.272 40.800 -0.114 0.000 0.963 511 D HN -0.787 7.524 8.370 0.036 0.080 0.450 512 I N -0.894 119.823 120.570 0.244 0.000 2.127 512 I HA -0.469 nan 4.170 nan 0.000 0.241 512 I C 2.279 178.456 176.117 0.100 0.000 1.075 512 I CA 2.240 63.667 61.300 0.213 0.000 1.334 512 I CB -0.813 37.239 38.000 0.087 0.000 1.040 512 I HN -0.170 8.183 8.210 0.239 0.000 0.405 513 K N 0.385 120.820 120.400 0.058 0.000 2.089 513 K HA -0.364 nan 4.320 nan 0.000 0.210 513 K C 2.575 179.193 176.600 0.030 0.000 1.048 513 K CA 2.704 59.009 56.287 0.029 0.000 0.926 513 K CB -0.384 32.127 32.500 0.018 0.000 0.714 513 K HN 0.454 8.627 8.250 0.062 0.114 0.448 514 R N -1.173 119.348 120.500 0.035 0.000 2.285 514 R HA -0.151 nan 4.340 nan 0.000 0.213 514 R C 1.180 177.510 176.300 0.050 0.000 1.068 514 R CA 2.155 58.273 56.100 0.030 0.000 1.004 514 R CB -0.309 29.997 30.300 0.010 0.000 0.873 514 R HN -0.212 7.976 8.270 0.038 0.105 0.467 515 A N -3.430 119.433 122.820 0.072 0.000 2.132 515 A HA 0.077 nan 4.320 nan 0.000 0.213 515 A C 0.336 177.940 177.584 0.034 0.000 1.154 515 A CA -0.158 51.925 52.037 0.078 0.000 0.753 515 A CB 0.152 19.213 19.000 0.102 0.000 0.826 515 A HN -0.158 7.873 8.150 0.081 0.167 0.469 516 G N -1.543 107.268 108.800 0.019 0.000 2.249 516 G HA2 -0.320 nan 3.960 nan 0.000 0.273 516 G HA3 -0.320 nan 3.960 nan 0.000 0.273 516 G C -0.396 174.492 174.900 -0.018 0.000 1.036 516 G CA 0.391 45.492 45.100 0.003 0.000 0.824 516 G HN -0.541 7.599 8.290 0.026 0.166 0.504 517 C N 1.536 120.811 119.300 -0.042 0.000 2.663 517 C HA 0.011 nan 4.460 nan 0.000 0.398 517 C C -0.976 173.950 174.990 -0.108 0.000 1.356 517 C CA 1.224 60.185 59.018 -0.095 0.000 1.629 517 C CB -1.126 26.526 27.740 -0.147 0.000 2.402 517 C HN 0.100 8.291 8.230 -0.034 0.018 0.598 518 V N 8.639 128.501 119.914 -0.086 0.000 2.448 518 V HA 0.531 nan 4.120 nan 0.000 0.295 518 V C -0.196 175.897 176.094 -0.003 0.000 1.025 518 V CA -1.615 60.682 62.300 -0.005 0.000 0.859 518 V CB 2.315 34.162 31.823 0.040 0.000 0.988 518 V HN 0.308 8.452 8.190 -0.076 0.000 0.431 519 F N 7.858 127.889 119.950 0.135 0.000 2.541 519 F HA 0.222 nan 4.527 nan 0.000 0.378 519 F C -1.090 174.808 175.800 0.164 0.000 1.068 519 F CA -1.146 56.986 58.000 0.220 0.000 1.199 519 F CB 0.171 39.339 39.000 0.281 0.000 1.091 519 F HN 0.411 8.998 8.300 0.479 0.000 0.555 520 P HA 0.109 nan 4.420 nan 0.000 0.285 520 P C -2.069 175.259 177.300 0.046 0.000 1.280 520 P CA -1.033 62.117 63.100 0.082 0.000 0.862 520 P CB 1.367 33.046 31.700 -0.035 0.000 1.153 521 D N -0.309 120.103 120.400 0.019 0.000 2.393 521 D HA 0.205 nan 4.640 nan 0.000 0.232 521 D C 0.377 176.636 176.300 -0.068 0.000 1.192 521 D CA -3.747 50.261 54.000 0.014 0.000 0.882 521 D CB 0.078 40.907 40.800 0.049 0.000 1.038 521 D HN 0.073 8.456 8.370 0.021 0.000 0.499 522 P HA -0.123 nan 4.420 nan 0.000 0.225 522 P C 0.125 177.516 177.300 0.152 0.000 1.148 522 P CA 1.402 64.408 63.100 -0.158 0.000 0.779 522 P CB 0.373 31.819 31.700 -0.423 0.000 0.780 523 L N -3.793 117.555 121.223 0.208 0.000 2.611 523 L HA 0.157 nan 4.340 nan 0.000 0.229 523 L C 1.578 178.586 176.870 0.229 0.000 1.137 523 L CA -0.179 54.898 54.840 0.395 0.000 0.901 523 L CB -1.142 41.083 42.059 0.278 0.000 1.098 523 L HN -0.354 8.137 8.230 0.119 -0.190 0.456 524 A N -0.274 122.578 122.820 0.052 0.000 2.119 524 A HA -0.126 nan 4.320 nan 0.000 0.216 524 A C 0.407 177.938 177.584 -0.088 0.000 1.152 524 A CA 2.361 54.395 52.037 -0.005 0.000 0.708 524 A CB -0.378 18.610 19.000 -0.021 0.000 0.805 524 A HN -0.421 7.673 8.150 0.022 0.069 0.460 525 K N -2.845 117.400 120.400 -0.259 0.000 2.400 525 K HA -0.117 nan 4.320 nan 0.000 0.194 525 K C 0.312 176.666 176.600 -0.409 0.000 1.033 525 K CA 0.757 56.816 56.287 -0.381 0.000 1.021 525 K CB -0.255 31.918 32.500 -0.545 0.000 0.808 525 K HN -0.137 7.885 8.250 -0.306 0.044 0.505 526 F N 0.000 119.960 119.950 0.016 0.000 2.286 526 F HA 0.000 nan 4.527 nan 0.000 0.279 526 F CA 0.000 58.009 58.000 0.015 0.000 1.383 526 F CB 0.000 39.006 39.000 0.011 0.000 1.145 526 F HN 0.000 8.180 8.300 -0.132 0.041 0.574