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 3fz7_1_E DATA FIRST_RESID 12 DATA SEQUENCE ELLDSRFGAK SISTIAESKR FPLHEMRDDV AFQIINDELY LDGNARQNLA DATA SEQUENCE TFCQTWDDEN VHKLMDLSIN KNWIDKEEYP QSAAIDLRCV NMVADLWHAP DATA SEQUENCE APKNGQAVGT NTIGSSEACM LGGMAMKWRW RKRMEAAGKP TDKPNLVCGP DATA SEQUENCE VQICWHKFAR YWDVELREIP MRPGQLFMDP KRMIEACDEN TIGVVPTFGV DATA SEQUENCE TYTGNYEFPQ PLHDALDKFQ ADTGIDIDMH IDAASGGFLA PFVAPDIVWD DATA SEQUENCE FRLPRVKSIS ASGHKFGLAP LGCGWVIWRD EEALPQELVF NVDYLGGQIG DATA SEQUENCE TFAINFSRPA GQVIAQYYEF LRLGREGYTK VQNASYQVAA YLADEIAKLG DATA SEQUENCE PYEFICTGRP DEGIPAVCFK LKDGEDPGYT LYDLSERLRL RGWQVPAFTL DATA SEQUENCE GGEATDIVVM RIMCRRGFEM DFAELLLEDY KASLKYLSDH PKLQGIAQQN DATA SEQUENCE SFKHT 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.602 176.600 0.004 0.000 1.382 12 E CA 0.000 56.401 56.400 0.002 0.000 0.976 12 E CB 0.000 29.702 29.700 0.003 0.000 0.812 13 L N 1.182 122.408 121.223 0.006 0.000 2.367 13 L HA 0.357 4.676 4.340 -0.035 0.000 0.275 13 L C 0.146 177.024 176.870 0.013 0.000 1.129 13 L CA 0.117 54.961 54.840 0.007 0.000 0.839 13 L CB -0.025 42.039 42.059 0.007 0.000 1.133 13 L HN 0.264 nan 8.230 nan 0.000 0.453 14 L N 2.036 123.265 121.223 0.010 0.000 2.319 14 L HA 0.540 4.859 4.340 -0.035 0.000 0.267 14 L C -0.373 176.505 176.870 0.014 0.000 1.011 14 L CA -0.712 54.139 54.840 0.018 0.000 0.818 14 L CB 1.847 43.911 42.059 0.009 0.000 1.316 14 L HN 0.540 nan 8.230 nan 0.000 0.432 15 D N -0.284 120.134 120.400 0.030 0.000 2.256 15 D HA 0.139 4.758 4.640 -0.035 0.000 0.240 15 D C 0.682 176.929 176.300 -0.089 0.000 1.062 15 D CA -0.145 53.846 54.000 -0.015 0.000 0.832 15 D CB 2.086 42.936 40.800 0.083 0.000 1.135 15 D HN 0.595 nan 8.370 nan 0.000 0.484 16 S N 3.794 119.410 115.700 -0.141 0.000 2.453 16 S HA -0.086 4.363 4.470 -0.035 0.000 0.231 16 S C 1.590 176.055 174.600 -0.226 0.000 1.005 16 S CA 0.413 58.527 58.200 -0.143 0.000 0.949 16 S CB 0.087 63.214 63.200 -0.123 0.000 0.774 16 S HN 0.486 nan 8.310 nan 0.000 0.510 17 R N -0.014 120.228 120.500 -0.431 0.000 2.075 17 R HA 0.091 4.410 4.340 -0.035 0.000 0.232 17 R C 1.182 177.175 176.300 -0.510 0.000 1.126 17 R CA 1.702 57.410 56.100 -0.654 0.000 0.963 17 R CB -0.352 29.215 30.300 -1.222 0.000 0.858 17 R HN 0.518 nan 8.270 nan 0.000 0.435 18 F N -0.778 119.163 119.950 -0.016 0.000 2.721 18 F HA 0.350 4.854 4.527 -0.039 0.000 0.301 18 F C 1.248 177.042 175.800 -0.009 0.000 1.096 18 F CA -0.101 57.894 58.000 -0.009 0.000 1.308 18 F CB -0.063 38.933 39.000 -0.007 0.000 1.086 18 F HN 0.103 nan 8.300 nan 0.000 0.587 19 G N 1.378 110.230 108.800 0.087 0.000 2.371 19 G HA2 0.058 3.997 3.960 -0.035 0.000 0.299 19 G HA3 0.058 3.997 3.960 -0.035 0.000 0.299 19 G C 0.057 175.006 174.900 0.080 0.000 1.014 19 G CA 0.331 45.465 45.100 0.057 0.000 1.097 19 G HN 0.811 nan 8.290 nan 0.000 0.512 20 A N -0.407 122.476 122.820 0.105 0.000 2.581 20 A HA 0.818 5.117 4.320 -0.035 0.000 0.290 20 A C 0.212 177.842 177.584 0.078 0.000 1.119 20 A CA 0.004 52.093 52.037 0.086 0.000 0.670 20 A CB 0.790 19.847 19.000 0.096 0.000 1.280 20 A HN 0.803 nan 8.150 nan 0.000 0.425 21 K N 0.806 121.234 120.400 0.048 0.000 2.550 21 K HA 0.128 4.427 4.320 -0.035 0.000 0.280 21 K C 0.422 177.059 176.600 0.061 0.000 0.987 21 K CA 0.605 56.914 56.287 0.038 0.000 1.048 21 K CB 0.246 32.755 32.500 0.016 0.000 0.879 21 K HN 0.750 nan 8.250 nan 0.000 0.491 22 S N 4.115 119.848 115.700 0.055 0.000 2.549 22 S HA 0.198 4.647 4.470 -0.035 0.000 0.283 22 S C -0.032 174.602 174.600 0.055 0.000 1.320 22 S CA -0.475 57.766 58.200 0.068 0.000 1.058 22 S CB 0.155 63.379 63.200 0.041 0.000 0.882 22 S HN 0.491 nan 8.310 nan 0.000 0.498 23 I N 4.068 124.683 120.570 0.074 0.000 2.437 23 I HA 0.216 4.365 4.170 -0.035 0.000 0.279 23 I C 0.053 176.198 176.117 0.046 0.000 1.028 23 I CA -0.336 60.991 61.300 0.045 0.000 1.142 23 I CB 1.697 39.711 38.000 0.023 0.000 1.266 23 I HN 0.563 nan 8.210 nan 0.000 0.461 24 S N 3.006 118.722 115.700 0.027 0.000 2.537 24 S HA 0.187 4.636 4.470 -0.035 0.000 0.275 24 S C 1.308 175.911 174.600 0.005 0.000 1.272 24 S CA -0.238 57.972 58.200 0.017 0.000 1.050 24 S CB 0.998 64.204 63.200 0.010 0.000 0.961 24 S HN 0.753 nan 8.310 nan 0.000 0.496 25 T N 2.737 117.291 114.554 0.000 0.000 3.113 25 T HA 0.196 4.525 4.350 -0.035 0.000 0.256 25 T C 1.475 176.164 174.700 -0.018 0.000 1.131 25 T CA 0.385 62.476 62.100 -0.015 0.000 1.074 25 T CB -0.302 68.555 68.868 -0.018 0.000 0.944 25 T HN 0.624 nan 8.240 nan 0.000 0.516 26 I N 0.614 121.177 120.570 -0.012 0.000 2.810 26 I HA 0.259 4.408 4.170 -0.035 0.000 0.262 26 I C 2.801 178.912 176.117 -0.010 0.000 1.131 26 I CA 0.369 61.661 61.300 -0.012 0.000 1.453 26 I CB -0.433 37.560 38.000 -0.011 0.000 1.161 26 I HN 0.294 nan 8.210 nan 0.000 0.444 27 A N 1.445 124.262 122.820 -0.005 0.000 2.934 27 A HA -0.255 4.044 4.320 -0.035 0.000 0.186 27 A C 1.213 178.794 177.584 -0.004 0.000 0.968 27 A CA 1.495 53.531 52.037 -0.002 0.000 1.058 27 A CB -0.999 18.003 19.000 0.004 0.000 0.780 27 A HN 0.439 nan 8.150 nan 0.000 0.567 28 E N 0.831 121.029 120.200 -0.003 0.000 2.975 28 E HA 0.163 4.492 4.350 -0.035 0.000 0.301 28 E C 0.931 177.521 176.600 -0.017 0.000 1.554 28 E CA 0.458 56.854 56.400 -0.006 0.000 1.716 28 E CB -0.378 29.321 29.700 -0.001 0.000 1.365 28 E HN 0.561 nan 8.360 nan 0.000 0.469 29 S N -0.150 115.540 115.700 -0.018 0.000 2.650 29 S HA 0.030 4.480 4.470 -0.035 0.000 0.219 29 S C 1.205 175.793 174.600 -0.019 0.000 0.960 29 S CA 0.031 58.215 58.200 -0.027 0.000 0.925 29 S CB 0.206 63.391 63.200 -0.024 0.000 0.775 29 S HN 0.189 nan 8.310 nan 0.000 0.525 30 K N 0.131 120.527 120.400 -0.008 0.000 2.374 30 K HA 0.297 4.597 4.320 -0.035 0.000 0.202 30 K C -0.150 176.461 176.600 0.020 0.000 1.040 30 K CA -0.096 56.193 56.287 0.004 0.000 1.085 30 K CB 0.645 33.147 32.500 0.004 0.000 0.873 30 K HN 0.246 nan 8.250 nan 0.000 0.539 31 R N 0.124 120.636 120.500 0.020 0.000 2.599 31 R HA 0.257 4.576 4.340 -0.035 0.000 0.295 31 R C -0.968 175.371 176.300 0.066 0.000 0.963 31 R CA -0.822 55.310 56.100 0.053 0.000 0.883 31 R CB 1.208 31.531 30.300 0.037 0.000 1.171 31 R HN -0.111 nan 8.270 nan 0.000 0.450 32 F N 3.884 123.819 119.950 -0.024 0.000 2.612 32 F HA 0.053 4.560 4.527 -0.034 0.000 0.389 32 F C -1.485 174.292 175.800 -0.037 0.000 1.055 32 F CA -0.759 57.225 58.000 -0.027 0.000 1.232 32 F CB 0.370 39.352 39.000 -0.029 0.000 1.044 32 F HN 0.367 nan 8.300 nan 0.000 0.560 33 P HA 0.004 nan 4.420 nan 0.000 0.267 33 P C 0.785 178.075 177.300 -0.018 0.000 1.200 33 P CA -0.057 62.962 63.100 -0.135 0.000 0.772 33 P CB 0.675 32.249 31.700 -0.210 0.000 0.855 34 L N 0.796 121.964 121.223 -0.091 0.000 2.127 34 L HA -0.005 4.315 4.340 -0.035 0.000 0.203 34 L C 0.905 177.592 176.870 -0.305 0.000 1.080 34 L CA 1.198 55.887 54.840 -0.252 0.000 0.768 34 L CB -0.254 41.491 42.059 -0.523 0.000 0.924 34 L HN 0.495 nan 8.230 nan 0.000 0.444 35 H N -0.338 118.747 119.070 0.026 0.000 2.670 35 H HA 0.337 4.872 4.556 -0.035 0.000 0.361 35 H C -0.553 174.777 175.328 0.002 0.000 1.169 35 H CA -0.772 55.285 56.048 0.015 0.000 1.198 35 H CB 1.186 30.949 29.762 0.002 0.000 1.700 35 H HN 0.049 nan 8.280 nan 0.000 0.542 36 E N 1.474 121.763 120.200 0.148 0.000 2.392 36 E HA 0.292 4.621 4.350 -0.035 0.000 0.259 36 E C 0.401 177.024 176.600 0.039 0.000 1.108 36 E CA -0.306 56.134 56.400 0.067 0.000 0.916 36 E CB 1.125 30.853 29.700 0.047 0.000 0.989 36 E HN 0.439 nan 8.360 nan 0.000 0.432 37 M N -0.657 118.944 119.600 0.001 0.000 2.667 37 M HA 0.518 4.977 4.480 -0.035 0.000 0.286 37 M C -1.088 175.183 176.300 -0.048 0.000 1.270 37 M CA -0.964 54.315 55.300 -0.034 0.000 0.826 37 M CB 1.865 34.435 32.600 -0.051 0.000 1.743 37 M HN 0.180 nan 8.290 nan 0.000 0.460 38 R N 1.410 121.863 120.500 -0.079 0.000 2.570 38 R HA 0.066 4.385 4.340 -0.035 0.000 0.277 38 R C 0.108 176.372 176.300 -0.061 0.000 1.039 38 R CA -0.292 55.765 56.100 -0.073 0.000 1.065 38 R CB 0.233 30.476 30.300 -0.096 0.000 0.964 38 R HN 0.645 nan 8.270 nan 0.000 0.428 39 D N 1.915 122.297 120.400 -0.030 0.000 2.106 39 D HA -0.179 4.440 4.640 -0.035 0.000 0.191 39 D C 0.974 177.290 176.300 0.027 0.000 0.997 39 D CA 1.576 55.575 54.000 -0.003 0.000 0.834 39 D CB -0.004 40.792 40.800 -0.006 0.000 0.956 39 D HN 0.516 nan 8.370 nan 0.000 0.448 40 D N -0.286 120.121 120.400 0.011 0.000 2.219 40 D HA -0.079 4.540 4.640 -0.035 0.000 0.205 40 D C 2.211 178.552 176.300 0.068 0.000 0.970 40 D CA 0.244 54.284 54.000 0.066 0.000 0.851 40 D CB -0.051 40.767 40.800 0.030 0.000 0.943 40 D HN 0.096 nan 8.370 nan 0.000 0.488 41 V N 1.110 120.955 119.914 -0.116 0.000 2.379 41 V HA -0.161 3.939 4.120 -0.035 0.000 0.245 41 V C 2.517 178.510 176.094 -0.168 0.000 1.044 41 V CA 1.569 63.649 62.300 -0.367 0.000 1.036 41 V CB -0.748 30.697 31.823 -0.630 0.000 0.664 41 V HN 0.163 nan 8.190 nan 0.000 0.453 42 A N -0.035 122.741 122.820 -0.073 0.000 1.902 42 A HA -0.251 4.049 4.320 -0.035 0.000 0.217 42 A C 2.120 179.731 177.584 0.046 0.000 1.181 42 A CA 2.111 54.140 52.037 -0.013 0.000 0.623 42 A CB -0.734 18.265 19.000 -0.002 0.000 0.818 42 A HN 0.533 nan 8.150 nan 0.000 0.443 43 F N 0.762 120.701 119.950 -0.017 0.000 2.069 43 F HA -0.230 4.284 4.527 -0.023 0.000 0.298 43 F C 2.465 178.298 175.800 0.056 0.000 1.113 43 F CA 2.375 60.383 58.000 0.013 0.000 1.214 43 F CB -0.599 38.407 39.000 0.010 0.000 0.978 43 F HN 0.321 nan 8.300 nan 0.000 0.474 44 Q N 0.285 120.063 119.800 -0.037 0.000 2.124 44 Q HA -0.173 4.146 4.340 -0.035 0.000 0.202 44 Q C 2.418 178.413 176.000 -0.008 0.000 0.977 44 Q CA 2.002 57.779 55.803 -0.043 0.000 0.850 44 Q CB -0.272 28.646 28.738 0.299 0.000 0.901 44 Q HN 0.533 nan 8.270 nan 0.000 0.429 45 I N 0.482 121.106 120.570 0.089 0.000 2.127 45 I HA -0.316 3.833 4.170 -0.035 0.000 0.241 45 I C 2.159 178.255 176.117 -0.035 0.000 1.075 45 I CA 1.304 62.652 61.300 0.081 0.000 1.334 45 I CB -0.188 37.864 38.000 0.087 0.000 1.040 45 I HN 0.224 nan 8.210 nan 0.000 0.405 46 I N 0.465 120.974 120.570 -0.103 0.000 2.252 46 I HA -0.294 3.855 4.170 -0.035 0.000 0.245 46 I C 2.294 178.307 176.117 -0.174 0.000 1.102 46 I CA 1.586 62.813 61.300 -0.122 0.000 1.385 46 I CB -0.569 37.368 38.000 -0.104 0.000 1.064 46 I HN 0.327 nan 8.210 nan 0.000 0.414 47 N N 1.219 119.704 118.700 -0.359 0.000 2.104 47 N HA -0.237 4.482 4.740 -0.035 0.000 0.190 47 N C 1.493 177.000 175.510 -0.005 0.000 1.024 47 N CA 1.796 54.644 53.050 -0.335 0.000 0.853 47 N CB -0.034 37.996 38.487 -0.761 0.000 1.008 47 N HN 0.161 nan 8.380 nan 0.000 0.424 48 D N 0.275 120.670 120.400 -0.008 0.000 2.123 48 D HA -0.144 4.475 4.640 -0.035 0.000 0.196 48 D C 1.666 178.012 176.300 0.077 0.000 0.992 48 D CA 0.983 55.008 54.000 0.040 0.000 0.833 48 D CB -0.279 40.480 40.800 -0.069 0.000 0.954 48 D HN 0.539 nan 8.370 nan 0.000 0.455 49 E N 0.255 120.467 120.200 0.020 0.000 2.077 49 E HA -0.097 4.232 4.350 -0.035 0.000 0.193 49 E C 2.360 178.980 176.600 0.033 0.000 0.989 49 E CA 0.380 56.788 56.400 0.014 0.000 0.800 49 E CB -0.146 29.545 29.700 -0.016 0.000 0.746 49 E HN 0.299 nan 8.360 nan 0.000 0.452 50 L N 0.221 121.451 121.223 0.012 0.000 2.261 50 L HA -0.200 4.119 4.340 -0.035 0.000 0.216 50 L C 2.133 178.980 176.870 -0.039 0.000 1.114 50 L CA 0.905 55.724 54.840 -0.035 0.000 0.777 50 L CB -0.527 41.477 42.059 -0.090 0.000 0.910 50 L HN 0.161 nan 8.230 nan 0.000 0.440 51 Y N 0.125 120.383 120.300 -0.071 0.000 2.315 51 Y HA -0.235 4.293 4.550 -0.037 0.000 0.288 51 Y C 2.299 178.166 175.900 -0.055 0.000 1.154 51 Y CA 1.154 59.218 58.100 -0.060 0.000 1.229 51 Y CB -0.378 38.045 38.460 -0.062 0.000 0.980 51 Y HN 0.142 nan 8.280 nan 0.000 0.540 52 L N -0.718 120.562 121.223 0.095 0.000 2.362 52 L HA -0.117 4.202 4.340 -0.035 0.000 0.219 52 L C 0.386 177.252 176.870 -0.006 0.000 1.134 52 L CA 0.281 55.140 54.840 0.032 0.000 0.807 52 L CB -0.464 41.602 42.059 0.012 0.000 0.927 52 L HN 0.041 nan 8.230 nan 0.000 0.447 53 D N 0.778 121.162 120.400 -0.027 0.000 2.382 53 D HA 0.168 4.787 4.640 -0.035 0.000 0.240 53 D C 0.586 176.857 176.300 -0.050 0.000 1.146 53 D CA 0.377 54.349 54.000 -0.047 0.000 0.897 53 D CB 1.021 41.782 40.800 -0.066 0.000 1.197 53 D HN 0.069 nan 8.370 nan 0.000 0.432 54 G N 0.431 109.201 108.800 -0.049 0.000 2.667 54 G HA2 0.055 3.994 3.960 -0.035 0.000 0.250 54 G HA3 0.055 3.994 3.960 -0.035 0.000 0.250 54 G C 0.861 175.722 174.900 -0.064 0.000 1.212 54 G CA -0.393 44.676 45.100 -0.052 0.000 0.874 54 G HN 0.571 nan 8.290 nan 0.000 0.561 55 N N -1.116 117.544 118.700 -0.067 0.000 2.299 55 N HA 0.270 4.989 4.740 -0.035 0.000 0.187 55 N C 1.412 176.888 175.510 -0.056 0.000 1.099 55 N CA 1.078 54.087 53.050 -0.069 0.000 0.867 55 N CB 0.453 38.895 38.487 -0.074 0.000 0.974 55 N HN 1.246 nan 8.380 nan 0.000 0.477 56 A N -0.252 122.537 122.820 -0.052 0.000 3.721 56 A HA -0.322 3.977 4.320 -0.035 0.000 0.270 56 A C 1.706 179.262 177.584 -0.046 0.000 1.036 56 A CA 1.422 53.434 52.037 -0.041 0.000 1.102 56 A CB -1.889 17.094 19.000 -0.029 0.000 1.100 56 A HN 0.298 nan 8.150 nan 0.000 0.887 57 R N -0.282 120.182 120.500 -0.058 0.000 2.127 57 R HA -0.109 4.210 4.340 -0.035 0.000 0.238 57 R C 1.659 177.918 176.300 -0.068 0.000 1.134 57 R CA 1.792 57.852 56.100 -0.066 0.000 0.975 57 R CB -0.385 29.865 30.300 -0.083 0.000 0.865 57 R HN 0.893 nan 8.270 nan 0.000 0.447 58 Q N 0.291 120.022 119.800 -0.115 0.000 2.247 58 Q HA 0.074 4.393 4.340 -0.035 0.000 0.204 58 Q C -0.065 175.965 176.000 0.050 0.000 0.872 58 Q CA -0.302 55.413 55.803 -0.147 0.000 0.951 58 Q CB 0.310 28.709 28.738 -0.565 0.000 1.099 58 Q HN 0.093 nan 8.270 nan 0.000 0.501 59 N N 1.377 120.076 118.700 -0.001 0.000 2.415 59 N HA 0.077 4.797 4.740 -0.035 0.000 0.246 59 N C -0.120 175.369 175.510 -0.035 0.000 1.078 59 N CA 0.093 53.152 53.050 0.015 0.000 0.942 59 N CB 0.627 39.118 38.487 0.006 0.000 1.140 59 N HN 0.219 nan 8.380 nan 0.000 0.501 60 L N 2.559 123.763 121.223 -0.033 0.000 2.741 60 L HA 0.287 4.606 4.340 -0.035 0.000 0.237 60 L C 1.588 178.389 176.870 -0.116 0.000 1.178 60 L CA -0.151 54.593 54.840 -0.160 0.000 0.973 60 L CB 0.101 42.019 42.059 -0.235 0.000 1.255 60 L HN 0.493 nan 8.230 nan 0.000 0.498 61 A N -0.854 121.942 122.820 -0.040 0.000 2.014 61 A HA 0.062 4.361 4.320 -0.035 0.000 0.210 61 A C 1.308 178.868 177.584 -0.039 0.000 1.188 61 A CA 0.547 52.580 52.037 -0.007 0.000 0.731 61 A CB 0.096 19.153 19.000 0.096 0.000 0.858 61 A HN 0.255 nan 8.150 nan 0.000 0.464 62 T N -1.803 112.753 114.554 0.003 0.000 2.899 62 T HA 0.446 4.775 4.350 -0.035 0.000 0.284 62 T C 0.219 174.919 174.700 0.000 0.000 1.004 62 T CA -0.317 61.844 62.100 0.102 0.000 1.043 62 T CB 0.179 69.123 68.868 0.127 0.000 1.013 62 T HN 0.171 nan 8.240 nan 0.000 0.518 63 F N 0.841 120.780 119.950 -0.019 0.000 2.746 63 F HA 0.308 4.814 4.527 -0.036 0.000 0.297 63 F C 1.529 177.250 175.800 -0.132 0.000 1.113 63 F CA -0.681 57.275 58.000 -0.073 0.000 1.367 63 F CB -0.284 38.724 39.000 0.014 0.000 1.111 63 F HN 0.403 nan 8.300 nan 0.000 0.590 64 C N 1.687 121.065 119.300 0.130 0.000 2.539 64 C HA 0.258 4.698 4.460 -0.035 0.000 0.392 64 C C 0.689 175.676 174.990 -0.004 0.000 1.269 64 C CA -1.253 57.798 59.018 0.056 0.000 2.250 64 C CB 0.131 27.867 27.740 -0.007 0.000 2.584 64 C HN 0.201 nan 8.230 nan 0.000 0.589 65 Q N 1.649 121.453 119.800 0.006 0.000 2.269 65 Q HA 0.065 4.384 4.340 -0.035 0.000 0.300 65 Q C 1.118 177.133 176.000 0.024 0.000 1.070 65 Q CA 0.852 56.666 55.803 0.020 0.000 0.957 65 Q CB 0.411 29.182 28.738 0.055 0.000 1.131 65 Q HN 1.008 nan 8.270 nan 0.000 0.377 66 T N -2.077 112.511 114.554 0.057 0.000 3.058 66 T HA 0.125 4.454 4.350 -0.035 0.000 0.278 66 T C 0.079 174.849 174.700 0.117 0.000 0.974 66 T CA -0.604 61.527 62.100 0.051 0.000 0.893 66 T CB 0.077 68.957 68.868 0.019 0.000 1.138 66 T HN 0.455 nan 8.240 nan 0.000 0.529 67 W N 2.292 123.573 121.300 -0.032 0.000 2.089 67 W HA 0.582 5.230 4.660 -0.019 0.000 0.362 67 W C -1.008 175.527 176.519 0.028 0.000 1.362 67 W CA -0.432 56.904 57.345 -0.015 0.000 1.460 67 W CB 0.704 30.154 29.460 -0.017 0.000 1.204 67 W HN -0.021 nan 8.180 nan 0.000 0.657 68 D N 2.175 121.949 120.400 -1.042 0.000 2.757 68 D HA 0.095 4.715 4.640 -0.035 0.000 0.249 68 D C -1.714 173.950 176.300 -1.060 0.000 1.168 68 D CA -0.352 53.244 54.000 -0.674 0.000 0.870 68 D CB 1.915 42.482 40.800 -0.389 0.000 1.411 68 D HN 0.189 nan 8.370 nan 0.000 0.525 69 D N 1.696 121.832 120.400 -0.439 0.000 2.593 69 D HA 0.054 4.673 4.640 -0.035 0.000 0.251 69 D C 0.744 177.013 176.300 -0.052 0.000 1.140 69 D CA -0.410 53.412 54.000 -0.297 0.000 0.855 69 D CB 1.861 42.669 40.800 0.013 0.000 1.267 69 D HN 0.361 nan 8.370 nan 0.000 0.532 70 E N 2.916 123.049 120.200 -0.112 0.000 2.097 70 E HA -0.259 4.070 4.350 -0.035 0.000 0.196 70 E C 0.876 177.449 176.600 -0.045 0.000 1.000 70 E CA 1.156 57.503 56.400 -0.089 0.000 0.804 70 E CB 0.245 29.884 29.700 -0.101 0.000 0.740 70 E HN 0.399 nan 8.360 nan 0.000 0.454 71 N N 0.093 118.746 118.700 -0.079 0.000 2.104 71 N HA -0.155 4.564 4.740 -0.035 0.000 0.190 71 N C 1.863 177.177 175.510 -0.326 0.000 1.024 71 N CA 1.222 54.135 53.050 -0.230 0.000 0.853 71 N CB -0.414 37.885 38.487 -0.315 0.000 1.008 71 N HN 0.069 nan 8.380 nan 0.000 0.424 72 V N 1.358 121.144 119.914 -0.214 0.000 2.295 72 V HA -0.216 3.883 4.120 -0.035 0.000 0.246 72 V C 2.097 178.108 176.094 -0.137 0.000 1.049 72 V CA 1.454 63.655 62.300 -0.164 0.000 1.024 72 V CB -0.664 31.141 31.823 -0.030 0.000 0.648 72 V HN 0.441 nan 8.190 nan 0.000 0.447 73 H N 0.361 119.351 119.070 -0.133 0.000 2.390 73 H HA -0.172 4.364 4.556 -0.033 0.000 0.298 73 H C 2.425 177.691 175.328 -0.104 0.000 1.106 73 H CA 1.816 57.798 56.048 -0.111 0.000 1.297 73 H CB 0.072 29.765 29.762 -0.114 0.000 1.375 73 H HN 0.439 nan 8.280 nan 0.000 0.509 74 K N 0.428 120.825 120.400 -0.005 0.000 2.062 74 K HA -0.053 4.246 4.320 -0.035 0.000 0.205 74 K C 2.457 179.018 176.600 -0.064 0.000 1.051 74 K CA 0.578 56.840 56.287 -0.041 0.000 0.941 74 K CB 0.003 32.465 32.500 -0.063 0.000 0.719 74 K HN 0.174 nan 8.250 nan 0.000 0.440 75 L N 0.531 121.690 121.223 -0.108 0.000 2.056 75 L HA -0.171 4.148 4.340 -0.035 0.000 0.207 75 L C 2.605 179.433 176.870 -0.071 0.000 1.078 75 L CA 0.780 55.564 54.840 -0.093 0.000 0.749 75 L CB -0.360 41.621 42.059 -0.131 0.000 0.901 75 L HN 0.200 nan 8.230 nan 0.000 0.433 76 M N -0.305 119.241 119.600 -0.090 0.000 2.080 76 M HA -0.261 4.198 4.480 -0.035 0.000 0.260 76 M C 1.993 178.254 176.300 -0.066 0.000 1.068 76 M CA 1.911 57.157 55.300 -0.089 0.000 1.109 76 M CB -1.149 31.369 32.600 -0.136 0.000 1.342 76 M HN 0.245 nan 8.290 nan 0.000 0.405 77 D N 0.186 120.555 120.400 -0.052 0.000 2.144 77 D HA -0.120 4.499 4.640 -0.035 0.000 0.199 77 D C 2.083 178.365 176.300 -0.030 0.000 0.984 77 D CA 0.871 54.851 54.000 -0.034 0.000 0.834 77 D CB 0.005 40.795 40.800 -0.017 0.000 0.955 77 D HN 0.292 nan 8.370 nan 0.000 0.465 78 L N -0.252 120.953 121.223 -0.029 0.000 2.265 78 L HA -0.076 4.243 4.340 -0.035 0.000 0.215 78 L C 1.649 178.505 176.870 -0.023 0.000 1.117 78 L CA 0.913 55.742 54.840 -0.019 0.000 0.782 78 L CB -0.019 42.031 42.059 -0.014 0.000 0.914 78 L HN 0.029 nan 8.230 nan 0.000 0.441 79 S N -1.021 114.655 115.700 -0.040 0.000 2.554 79 S HA 0.142 4.591 4.470 -0.035 0.000 0.226 79 S C 1.646 176.196 174.600 -0.084 0.000 0.980 79 S CA -0.314 57.849 58.200 -0.062 0.000 0.939 79 S CB 0.269 63.436 63.200 -0.055 0.000 0.832 79 S HN 0.316 nan 8.310 nan 0.000 0.486 80 I N 1.991 122.524 120.570 -0.063 0.000 2.423 80 I HA -0.202 3.947 4.170 -0.035 0.000 0.254 80 I C 0.546 176.619 176.117 -0.074 0.000 1.151 80 I CA 1.271 62.535 61.300 -0.060 0.000 1.421 80 I CB 0.085 38.061 38.000 -0.039 0.000 1.079 80 I HN 0.197 nan 8.210 nan 0.000 0.431 81 N N 0.936 119.583 118.700 -0.088 0.000 2.187 81 N HA 0.130 4.849 4.740 -0.035 0.000 0.212 81 N C -0.399 174.932 175.510 -0.298 0.000 1.152 81 N CA 0.092 53.079 53.050 -0.105 0.000 0.872 81 N CB 0.401 38.878 38.487 -0.017 0.000 1.025 81 N HN 0.291 nan 8.380 nan 0.000 0.514 82 K N 1.484 121.638 120.400 -0.412 0.000 2.312 82 K HA 0.149 4.448 4.320 -0.035 0.000 0.287 82 K C -0.154 176.012 176.600 -0.723 0.000 1.062 82 K CA -0.399 55.332 56.287 -0.927 0.000 0.934 82 K CB 0.662 32.853 32.500 -0.515 0.000 1.027 82 K HN -0.104 nan 8.250 nan 0.000 0.478 83 N N 2.936 121.050 118.700 -0.978 0.000 2.406 83 N HA -0.023 4.696 4.740 -0.035 0.000 0.251 83 N C 0.324 175.754 175.510 -0.134 0.000 1.069 83 N CA -0.370 52.495 53.050 -0.309 0.000 0.947 83 N CB 0.419 38.854 38.487 -0.086 0.000 1.111 83 N HN 0.669 nan 8.380 nan 0.000 0.497 84 W N 5.116 126.288 121.300 -0.214 0.000 2.350 84 W HA -0.150 4.488 4.660 -0.037 0.000 0.289 84 W C 1.401 177.822 176.519 -0.164 0.000 1.215 84 W CA 0.757 58.006 57.345 -0.161 0.000 1.236 84 W CB -0.036 29.338 29.460 -0.143 0.000 1.130 84 W HN 0.618 nan 8.180 nan 0.000 0.541 85 I N 0.435 120.873 120.570 -0.221 0.000 2.876 85 I HA -0.042 4.108 4.170 -0.035 0.000 0.264 85 I C 0.553 176.395 176.117 -0.458 0.000 1.204 85 I CA 1.040 62.022 61.300 -0.529 0.000 1.485 85 I CB -0.484 37.082 38.000 -0.724 0.000 1.103 85 I HN -0.223 nan 8.210 nan 0.000 0.446 86 D N 0.380 120.630 120.400 -0.250 0.000 2.563 86 D HA 0.051 4.670 4.640 -0.035 0.000 0.222 86 D C 1.242 177.439 176.300 -0.171 0.000 1.145 86 D CA 0.016 53.925 54.000 -0.151 0.000 1.001 86 D CB 0.516 41.353 40.800 0.061 0.000 1.049 86 D HN -0.080 nan 8.370 nan 0.000 0.515 87 K N 0.796 120.968 120.400 -0.380 0.000 2.209 87 K HA -0.115 4.184 4.320 -0.035 0.000 0.204 87 K C 1.649 178.019 176.600 -0.384 0.000 1.048 87 K CA 0.733 56.774 56.287 -0.410 0.000 0.940 87 K CB 0.115 32.267 32.500 -0.581 0.000 0.729 87 K HN 0.434 nan 8.250 nan 0.000 0.451 88 E N -0.014 119.914 120.200 -0.454 0.000 2.046 88 E HA -0.190 4.139 4.350 -0.035 0.000 0.190 88 E C 1.622 178.098 176.600 -0.206 0.000 0.982 88 E CA 1.076 57.313 56.400 -0.272 0.000 0.800 88 E CB 0.146 29.740 29.700 -0.177 0.000 0.756 88 E HN 0.217 nan 8.360 nan 0.000 0.449 89 E N -0.785 119.243 120.200 -0.287 0.000 2.250 89 E HA -0.068 4.261 4.350 -0.035 0.000 0.192 89 E C -0.321 175.842 176.600 -0.729 0.000 0.986 89 E CA 0.623 56.708 56.400 -0.525 0.000 0.849 89 E CB 0.185 29.477 29.700 -0.680 0.000 0.797 89 E HN 0.231 nan 8.360 nan 0.000 0.482 90 Y N 0.187 120.428 120.300 -0.099 0.000 2.638 90 Y HA 0.330 4.859 4.550 -0.035 0.000 0.367 90 Y C -1.874 173.968 175.900 -0.096 0.000 1.001 90 Y CA -2.250 55.801 58.100 -0.081 0.000 1.133 90 Y CB 1.235 39.650 38.460 -0.075 0.000 1.199 90 Y HN 0.102 nan 8.280 nan 0.000 0.642 91 P HA -0.136 nan 4.420 nan 0.000 0.225 91 P C 1.346 178.640 177.300 -0.011 0.000 1.156 91 P CA 0.992 64.072 63.100 -0.034 0.000 0.787 91 P CB 0.689 32.372 31.700 -0.028 0.000 0.802 92 Q N 0.406 120.214 119.800 0.014 0.000 2.096 92 Q HA -0.015 4.304 4.340 -0.035 0.000 0.197 92 Q C 2.354 178.357 176.000 0.006 0.000 0.964 92 Q CA 1.543 57.352 55.803 0.011 0.000 0.838 92 Q CB -0.948 27.806 28.738 0.027 0.000 0.906 92 Q HN 0.030 nan 8.270 nan 0.000 0.444 93 S N 0.478 116.201 115.700 0.039 0.000 2.359 93 S HA -0.239 4.211 4.470 -0.035 0.000 0.223 93 S C 1.943 176.543 174.600 -0.000 0.000 1.039 93 S CA 1.220 59.440 58.200 0.032 0.000 1.042 93 S CB -0.780 62.450 63.200 0.050 0.000 0.915 93 S HN 0.601 nan 8.310 nan 0.000 0.439 94 A N 1.662 124.459 122.820 -0.039 0.000 1.903 94 A HA -0.121 4.178 4.320 -0.035 0.000 0.219 94 A C 2.372 179.931 177.584 -0.042 0.000 1.191 94 A CA 2.158 54.143 52.037 -0.087 0.000 0.638 94 A CB -1.247 17.675 19.000 -0.130 0.000 0.823 94 A HN 0.576 nan 8.150 nan 0.000 0.451 95 A N -0.563 122.235 122.820 -0.038 0.000 1.930 95 A HA -0.024 4.275 4.320 -0.035 0.000 0.217 95 A C 2.136 179.671 177.584 -0.082 0.000 1.175 95 A CA 1.453 53.466 52.037 -0.040 0.000 0.627 95 A CB -0.544 18.435 19.000 -0.034 0.000 0.815 95 A HN 0.520 nan 8.150 nan 0.000 0.443 96 I N -0.406 120.089 120.570 -0.125 0.000 2.252 96 I HA -0.217 3.932 4.170 -0.035 0.000 0.245 96 I C 2.295 178.342 176.117 -0.117 0.000 1.102 96 I CA 1.642 62.770 61.300 -0.288 0.000 1.385 96 I CB -0.346 37.475 38.000 -0.297 0.000 1.064 96 I HN 0.321 nan 8.210 nan 0.000 0.414 97 D N 1.249 121.685 120.400 0.059 0.000 2.116 97 D HA -0.193 4.427 4.640 -0.035 0.000 0.193 97 D C 2.231 178.673 176.300 0.235 0.000 0.998 97 D CA 1.594 55.743 54.000 0.248 0.000 0.836 97 D CB -0.116 40.841 40.800 0.261 0.000 0.951 97 D HN 0.234 nan 8.370 nan 0.000 0.449 98 L N -0.303 120.991 121.223 0.119 0.000 2.093 98 L HA -0.059 4.260 4.340 -0.035 0.000 0.208 98 L C 2.774 179.696 176.870 0.086 0.000 1.085 98 L CA 0.825 55.733 54.840 0.113 0.000 0.755 98 L CB -0.286 41.811 42.059 0.063 0.000 0.904 98 L HN 0.011 nan 8.230 nan 0.000 0.435 99 R N -0.844 119.678 120.500 0.036 0.000 2.091 99 R HA -0.174 4.145 4.340 -0.035 0.000 0.238 99 R C 2.414 178.779 176.300 0.108 0.000 1.136 99 R CA 1.732 57.862 56.100 0.050 0.000 0.959 99 R CB -0.703 29.595 30.300 -0.004 0.000 0.856 99 R HN 0.416 nan 8.270 nan 0.000 0.437 100 C N -0.105 119.279 119.300 0.140 0.000 2.429 100 C HA -0.064 4.375 4.460 -0.035 0.000 0.277 100 C C 2.704 177.591 174.990 -0.170 0.000 1.262 100 C CA 0.379 59.455 59.018 0.098 0.000 1.733 100 C CB -0.678 27.114 27.740 0.087 0.000 2.010 100 C HN 0.301 nan 8.230 nan 0.000 0.483 101 V N 2.122 122.035 119.914 -0.000 0.000 2.282 101 V HA -0.256 3.843 4.120 -0.035 0.000 0.249 101 V C 2.234 178.301 176.094 -0.045 0.000 1.057 101 V CA 2.221 64.553 62.300 0.053 0.000 1.032 101 V CB -0.682 31.287 31.823 0.243 0.000 0.645 101 V HN 0.555 nan 8.190 nan 0.000 0.447 102 N N -0.477 118.212 118.700 -0.019 0.000 2.244 102 N HA -0.080 4.639 4.740 -0.035 0.000 0.183 102 N C 1.793 177.222 175.510 -0.136 0.000 1.016 102 N CA 1.472 54.490 53.050 -0.053 0.000 0.866 102 N CB -0.262 38.215 38.487 -0.017 0.000 0.980 102 N HN 0.460 nan 8.380 nan 0.000 0.430 103 M N -0.081 119.424 119.600 -0.158 0.000 2.156 103 M HA -0.055 4.404 4.480 -0.035 0.000 0.264 103 M C 2.041 178.058 176.300 -0.471 0.000 1.067 103 M CA 0.861 56.004 55.300 -0.261 0.000 1.131 103 M CB -0.014 32.462 32.600 -0.206 0.000 1.368 103 M HN -0.115 nan 8.290 nan 0.000 0.416 104 V N 0.414 119.994 119.914 -0.557 0.000 2.307 104 V HA -0.223 3.876 4.120 -0.035 0.000 0.245 104 V C 2.645 178.257 176.094 -0.804 0.000 1.045 104 V CA 1.946 63.714 62.300 -0.887 0.000 1.024 104 V CB -1.202 30.032 31.823 -0.982 0.000 0.651 104 V HN 0.497 nan 8.190 nan 0.000 0.449 105 A N 0.409 122.984 122.820 -0.409 0.000 1.892 105 A HA -0.359 3.940 4.320 -0.035 0.000 0.218 105 A C 2.043 179.521 177.584 -0.177 0.000 1.188 105 A CA 2.539 54.467 52.037 -0.181 0.000 0.631 105 A CB -0.832 18.107 19.000 -0.102 0.000 0.822 105 A HN 0.649 nan 8.150 nan 0.000 0.447 106 D N -0.806 119.451 120.400 -0.239 0.000 2.084 106 D HA -0.163 4.456 4.640 -0.035 0.000 0.194 106 D C 1.752 177.852 176.300 -0.333 0.000 0.990 106 D CA 1.378 55.233 54.000 -0.242 0.000 0.826 106 D CB -0.277 40.395 40.800 -0.214 0.000 0.971 106 D HN 0.201 nan 8.370 nan 0.000 0.453 107 L N -0.242 120.738 121.223 -0.406 0.000 2.089 107 L HA -0.149 4.170 4.340 -0.035 0.000 0.213 107 L C 1.206 177.949 176.870 -0.210 0.000 1.079 107 L CA 1.432 56.025 54.840 -0.411 0.000 0.758 107 L CB -0.527 41.175 42.059 -0.595 0.000 0.891 107 L HN 0.326 nan 8.230 nan 0.000 0.433 108 W N -0.826 120.311 121.300 -0.272 0.000 3.330 108 W HA 0.230 4.869 4.660 -0.035 0.000 0.348 108 W C 0.696 177.195 176.519 -0.033 0.000 1.205 108 W CA -0.059 57.141 57.345 -0.241 0.000 1.841 108 W CB -1.439 27.881 29.460 -0.234 0.000 1.084 108 W HN 0.434 nan 8.180 nan 0.000 0.665 109 H N -1.354 117.749 119.070 0.054 0.000 2.861 109 H HA -0.127 4.408 4.556 -0.035 0.000 0.289 109 H C 1.061 176.429 175.328 0.066 0.000 1.176 109 H CA 0.491 56.544 56.048 0.009 0.000 1.146 109 H CB -1.593 28.123 29.762 -0.077 0.000 1.330 109 H HN 0.074 nan 8.280 nan 0.000 0.379 110 A N 0.764 123.663 122.820 0.131 0.000 2.565 110 A HA 0.306 4.605 4.320 -0.035 0.000 0.237 110 A C -1.503 175.996 177.584 -0.142 0.000 1.053 110 A CA -0.717 51.181 52.037 -0.231 0.000 0.755 110 A CB 0.141 18.898 19.000 -0.405 0.000 0.980 110 A HN 0.188 nan 8.150 nan 0.000 0.506 111 P HA 0.195 nan 4.420 nan 0.000 0.264 111 P C 0.092 177.341 177.300 -0.086 0.000 1.183 111 P CA 0.636 63.684 63.100 -0.085 0.000 0.763 111 P CB 0.355 32.008 31.700 -0.079 0.000 0.807 112 A N 5.388 128.175 122.820 -0.055 0.000 2.580 112 A HA 0.178 4.477 4.320 -0.035 0.000 0.244 112 A C -1.691 175.867 177.584 -0.043 0.000 1.045 112 A CA -0.609 51.400 52.037 -0.047 0.000 0.761 112 A CB -1.441 17.540 19.000 -0.032 0.000 0.962 112 A HN 0.422 nan 8.150 nan 0.000 0.512 113 P HA 0.083 nan 4.420 nan 0.000 0.267 113 P C 0.727 178.017 177.300 -0.017 0.000 1.205 113 P CA -0.279 62.806 63.100 -0.026 0.000 0.765 113 P CB 0.685 32.376 31.700 -0.017 0.000 0.828 114 K N 3.407 123.798 120.400 -0.014 0.000 2.211 114 K HA -0.184 4.116 4.320 -0.035 0.000 0.204 114 K C 1.063 177.659 176.600 -0.007 0.000 1.047 114 K CA 1.576 57.857 56.287 -0.010 0.000 0.935 114 K CB 0.002 32.496 32.500 -0.009 0.000 0.728 114 K HN 0.495 nan 8.250 nan 0.000 0.452 115 N N -1.333 117.365 118.700 -0.004 0.000 2.254 115 N HA 0.019 4.738 4.740 -0.035 0.000 0.190 115 N C 1.040 176.551 175.510 0.002 0.000 1.107 115 N CA 1.045 54.095 53.050 -0.001 0.000 0.869 115 N CB 0.832 39.320 38.487 0.002 0.000 0.983 115 N HN 0.276 nan 8.380 nan 0.000 0.487 116 G N -0.385 108.415 108.800 -0.000 0.000 2.213 116 G HA2 -0.243 3.696 3.960 -0.035 0.000 0.226 116 G HA3 -0.243 3.696 3.960 -0.035 0.000 0.226 116 G C -0.278 174.626 174.900 0.007 0.000 0.992 116 G CA 0.192 45.293 45.100 0.002 0.000 0.632 116 G HN 0.618 nan 8.290 nan 0.000 0.511 117 Q N 0.875 120.683 119.800 0.013 0.000 2.330 117 Q HA 0.794 5.113 4.340 -0.035 0.000 0.269 117 Q C 0.201 176.219 176.000 0.030 0.000 1.022 117 Q CA 0.364 56.183 55.803 0.026 0.000 0.796 117 Q CB 1.491 30.252 28.738 0.038 0.000 1.271 117 Q HN 1.106 nan 8.270 nan 0.000 0.450 118 A N 2.825 125.665 122.820 0.033 0.000 2.425 118 A HA 0.447 4.746 4.320 -0.035 0.000 0.242 118 A C -0.524 177.124 177.584 0.107 0.000 1.077 118 A CA -0.429 51.633 52.037 0.040 0.000 0.781 118 A CB 0.436 19.447 19.000 0.019 0.000 1.020 118 A HN 0.601 nan 8.150 nan 0.000 0.494 119 V N 1.868 121.865 119.914 0.139 0.000 2.389 119 V HA 0.619 4.718 4.120 -0.035 0.000 0.264 119 V C 0.850 177.220 176.094 0.460 0.000 1.049 119 V CA 0.792 63.243 62.300 0.251 0.000 0.932 119 V CB -0.284 31.677 31.823 0.230 0.000 1.011 119 V HN 1.469 nan 8.190 nan 0.000 0.475 120 G N 2.883 111.991 108.800 0.513 0.000 2.328 120 G HA2 0.550 4.489 3.960 -0.035 0.000 0.295 120 G HA3 0.550 4.489 3.960 -0.035 0.000 0.295 120 G C -1.085 174.151 174.900 0.560 0.000 1.413 120 G CA -0.010 45.462 45.100 0.620 0.000 0.817 120 G HN 0.729 nan 8.290 nan 0.000 0.546 121 T N -0.404 114.492 114.554 0.570 0.000 2.932 121 T HA 0.471 4.800 4.350 -0.035 0.000 0.318 121 T C -0.687 174.243 174.700 0.383 0.000 1.265 121 T CA -0.643 61.764 62.100 0.511 0.000 1.036 121 T CB 1.566 70.731 68.868 0.494 0.000 1.209 121 T HN 0.792 nan 8.240 nan 0.000 0.484 122 N N 1.744 120.579 118.700 0.224 0.000 2.453 122 N HA 0.273 4.992 4.740 -0.035 0.000 0.253 122 N C -0.112 175.107 175.510 -0.485 0.000 1.252 122 N CA 0.533 53.267 53.050 -0.527 0.000 0.917 122 N CB 0.869 39.004 38.487 -0.586 0.000 1.117 122 N HN 0.843 nan 8.380 nan 0.000 0.442 123 T N -0.187 113.990 114.554 -0.629 0.000 2.804 123 T HA 0.365 4.694 4.350 -0.035 0.000 0.290 123 T C 1.463 175.851 174.700 -0.520 0.000 1.099 123 T CA -0.840 60.961 62.100 -0.499 0.000 1.011 123 T CB 0.796 69.492 68.868 -0.288 0.000 1.291 123 T HN 0.285 nan 8.240 nan 0.000 0.523 124 I N 0.834 121.182 120.570 -0.370 0.000 2.676 124 I HA 0.233 4.382 4.170 -0.035 0.000 0.259 124 I C 1.365 177.402 176.117 -0.134 0.000 1.194 124 I CA 1.454 62.602 61.300 -0.253 0.000 1.473 124 I CB -0.968 36.929 38.000 -0.171 0.000 1.096 124 I HN 1.027 nan 8.210 nan 0.000 0.443 125 G N -1.535 107.165 108.800 -0.167 0.000 2.342 125 G HA2 0.142 4.081 3.960 -0.035 0.000 0.297 125 G HA3 0.142 4.081 3.960 -0.035 0.000 0.297 125 G C 0.199 175.022 174.900 -0.129 0.000 1.313 125 G CA 0.020 45.051 45.100 -0.116 0.000 0.830 125 G HN -0.160 nan 8.290 nan 0.000 0.506 126 S N -0.589 115.057 115.700 -0.089 0.000 2.382 126 S HA -0.094 4.355 4.470 -0.035 0.000 0.228 126 S C 2.589 177.122 174.600 -0.113 0.000 1.027 126 S CA 1.988 60.154 58.200 -0.057 0.000 0.991 126 S CB -0.262 62.928 63.200 -0.017 0.000 0.823 126 S HN 0.683 nan 8.310 nan 0.000 0.469 127 S N 1.138 116.777 115.700 -0.100 0.000 2.365 127 S HA -0.221 4.228 4.470 -0.035 0.000 0.221 127 S C 1.967 176.478 174.600 -0.148 0.000 1.037 127 S CA 1.919 60.039 58.200 -0.134 0.000 1.060 127 S CB -0.499 62.668 63.200 -0.055 0.000 0.974 127 S HN 0.690 nan 8.310 nan 0.000 0.427 128 E N 0.531 120.669 120.200 -0.103 0.000 2.038 128 E HA -0.175 4.154 4.350 -0.035 0.000 0.195 128 E C 2.129 178.630 176.600 -0.165 0.000 1.000 128 E CA 1.251 57.587 56.400 -0.106 0.000 0.803 128 E CB -0.528 29.108 29.700 -0.107 0.000 0.750 128 E HN 0.536 nan 8.360 nan 0.000 0.448 129 A N 0.739 123.468 122.820 -0.151 0.000 1.927 129 A HA -0.273 4.026 4.320 -0.035 0.000 0.220 129 A C 2.547 180.006 177.584 -0.208 0.000 1.185 129 A CA 1.796 53.759 52.037 -0.123 0.000 0.639 129 A CB -1.190 17.789 19.000 -0.035 0.000 0.820 129 A HN 0.598 nan 8.150 nan 0.000 0.451 130 C N -0.698 118.394 119.300 -0.347 0.000 2.429 130 C HA -0.152 4.288 4.460 -0.035 0.000 0.277 130 C C 2.914 177.423 174.990 -0.802 0.000 1.262 130 C CA 1.377 59.948 59.018 -0.746 0.000 1.733 130 C CB -1.124 25.840 27.740 -1.294 0.000 2.010 130 C HN 0.622 nan 8.230 nan 0.000 0.483 131 M N 0.806 120.086 119.600 -0.534 0.000 2.108 131 M HA -0.108 4.352 4.480 -0.035 0.000 0.261 131 M C 2.057 178.077 176.300 -0.466 0.000 1.066 131 M CA 1.666 56.672 55.300 -0.488 0.000 1.107 131 M CB -1.709 30.759 32.600 -0.219 0.000 1.356 131 M HN 0.373 nan 8.290 nan 0.000 0.406 132 L N -0.361 120.655 121.223 -0.344 0.000 2.046 132 L HA -0.117 4.202 4.340 -0.035 0.000 0.208 132 L C 2.751 179.720 176.870 0.165 0.000 1.077 132 L CA 1.438 56.104 54.840 -0.290 0.000 0.747 132 L CB -1.524 40.336 42.059 -0.332 0.000 0.896 132 L HN 0.406 nan 8.230 nan 0.000 0.432 133 G N -0.294 108.508 108.800 0.003 0.000 2.422 133 G HA2 -0.183 3.756 3.960 -0.035 0.000 0.218 133 G HA3 -0.183 3.756 3.960 -0.035 0.000 0.218 133 G C 1.557 176.411 174.900 -0.076 0.000 1.146 133 G CA 0.783 45.893 45.100 0.016 0.000 0.769 133 G HN 0.494 nan 8.290 nan 0.000 0.547 134 G N 0.409 108.952 108.800 -0.428 0.000 2.394 134 G HA2 -0.112 3.827 3.960 -0.035 0.000 0.214 134 G HA3 -0.112 3.827 3.960 -0.035 0.000 0.214 134 G C 1.866 176.677 174.900 -0.148 0.000 1.176 134 G CA 0.790 45.406 45.100 -0.807 0.000 0.786 134 G HN 0.376 nan 8.290 nan 0.000 0.533 135 M N 0.764 120.335 119.600 -0.049 0.000 2.080 135 M HA -0.062 4.398 4.480 -0.035 0.000 0.260 135 M C 3.056 179.576 176.300 0.368 0.000 1.068 135 M CA 1.543 56.953 55.300 0.185 0.000 1.109 135 M CB -0.233 32.399 32.600 0.055 0.000 1.342 135 M HN 0.337 nan 8.290 nan 0.000 0.405 136 A N 0.108 123.152 122.820 0.374 0.000 1.877 136 A HA -0.205 4.094 4.320 -0.035 0.000 0.216 136 A C 2.075 179.907 177.584 0.413 0.000 1.186 136 A CA 1.740 54.013 52.037 0.394 0.000 0.620 136 A CB -0.665 18.673 19.000 0.563 0.000 0.822 136 A HN 0.483 nan 8.150 nan 0.000 0.443 137 M N -0.891 118.925 119.600 0.360 0.000 2.108 137 M HA -0.207 4.252 4.480 -0.035 0.000 0.261 137 M C 2.296 178.835 176.300 0.398 0.000 1.066 137 M CA 2.167 57.659 55.300 0.320 0.000 1.107 137 M CB -0.330 32.388 32.600 0.196 0.000 1.356 137 M HN 0.493 nan 8.290 nan 0.000 0.406 138 K N -0.122 120.556 120.400 0.463 0.000 2.032 138 K HA -0.203 4.096 4.320 -0.035 0.000 0.209 138 K C 1.975 178.927 176.600 0.587 0.000 1.048 138 K CA 1.492 58.099 56.287 0.534 0.000 0.927 138 K CB -0.142 32.726 32.500 0.613 0.000 0.712 138 K HN 0.466 nan 8.250 nan 0.000 0.441 139 W N 1.126 122.595 121.300 0.281 0.000 2.418 139 W HA -0.098 4.541 4.660 -0.034 0.000 0.292 139 W C 2.126 178.756 176.519 0.185 0.000 1.213 139 W CA 0.767 58.237 57.345 0.208 0.000 1.283 139 W CB -0.005 29.531 29.460 0.125 0.000 1.119 139 W HN 0.185 nan 8.180 nan 0.000 0.542 140 R N -0.822 119.924 120.500 0.410 0.000 2.073 140 R HA -0.221 4.098 4.340 -0.035 0.000 0.234 140 R C 1.976 178.427 176.300 0.251 0.000 1.134 140 R CA 2.027 58.296 56.100 0.281 0.000 0.952 140 R CB -1.269 29.189 30.300 0.264 0.000 0.850 140 R HN 0.181 nan 8.270 nan 0.000 0.433 141 W N 2.010 123.389 121.300 0.132 0.000 2.335 141 W HA -0.185 4.454 4.660 -0.035 0.000 0.311 141 W C 2.194 178.742 176.519 0.047 0.000 1.213 141 W CA 1.283 58.684 57.345 0.092 0.000 1.274 141 W CB -0.123 29.401 29.460 0.107 0.000 1.148 141 W HN -0.111 nan 8.180 nan 0.000 0.498 142 R N 0.543 121.046 120.500 0.005 0.000 2.080 142 R HA -0.188 4.131 4.340 -0.035 0.000 0.236 142 R C 2.304 178.412 176.300 -0.320 0.000 1.137 142 R CA 2.090 57.996 56.100 -0.323 0.000 0.943 142 R CB -0.677 29.515 30.300 -0.180 0.000 0.846 142 R HN 0.232 nan 8.270 nan 0.000 0.431 143 K N -0.071 120.239 120.400 -0.151 0.000 2.089 143 K HA -0.195 4.104 4.320 -0.035 0.000 0.210 143 K C 2.218 178.736 176.600 -0.136 0.000 1.048 143 K CA 1.560 57.784 56.287 -0.105 0.000 0.926 143 K CB -0.107 32.387 32.500 -0.010 0.000 0.714 143 K HN 0.184 nan 8.250 nan 0.000 0.448 144 R N -0.311 120.092 120.500 -0.161 0.000 2.093 144 R HA 0.061 4.380 4.340 -0.035 0.000 0.224 144 R C 2.270 178.435 176.300 -0.225 0.000 1.101 144 R CA 0.823 56.833 56.100 -0.151 0.000 0.979 144 R CB -0.053 30.185 30.300 -0.105 0.000 0.877 144 R HN 0.196 nan 8.270 nan 0.000 0.441 145 M N 0.314 119.673 119.600 -0.403 0.000 2.319 145 M HA -0.077 4.382 4.480 -0.035 0.000 0.265 145 M C 1.569 177.701 176.300 -0.280 0.000 1.068 145 M CA 1.428 56.479 55.300 -0.416 0.000 1.118 145 M CB -0.439 31.704 32.600 -0.762 0.000 1.395 145 M HN 0.145 nan 8.290 nan 0.000 0.435 146 E N 0.297 120.341 120.200 -0.259 0.000 2.158 146 E HA -0.019 4.310 4.350 -0.035 0.000 0.191 146 E C 2.099 178.628 176.600 -0.118 0.000 0.982 146 E CA 0.838 57.135 56.400 -0.172 0.000 0.823 146 E CB 0.063 29.668 29.700 -0.159 0.000 0.766 146 E HN 0.455 nan 8.360 nan 0.000 0.468 147 A N 1.174 123.927 122.820 -0.112 0.000 1.908 147 A HA -0.128 4.171 4.320 -0.035 0.000 0.218 147 A C 2.212 179.754 177.584 -0.071 0.000 1.181 147 A CA 1.708 53.698 52.037 -0.078 0.000 0.627 147 A CB -0.465 18.495 19.000 -0.067 0.000 0.818 147 A HN 0.276 nan 8.150 nan 0.000 0.445 148 A N -1.477 121.291 122.820 -0.087 0.000 2.278 148 A HA 0.426 4.725 4.320 -0.035 0.000 0.212 148 A C 1.694 179.239 177.584 -0.065 0.000 1.213 148 A CA 1.043 53.038 52.037 -0.070 0.000 0.840 148 A CB -1.219 17.737 19.000 -0.073 0.000 0.866 148 A HN 1.884 nan 8.150 nan 0.000 0.489 149 G N -0.084 108.673 108.800 -0.072 0.000 2.258 149 G HA2 -0.310 3.629 3.960 -0.035 0.000 0.274 149 G HA3 -0.310 3.629 3.960 -0.035 0.000 0.274 149 G C 0.225 175.089 174.900 -0.059 0.000 1.021 149 G CA 0.999 46.063 45.100 -0.060 0.000 0.798 149 G HN 0.624 nan 8.290 nan 0.000 0.507 150 K N 0.333 120.683 120.400 -0.083 0.000 2.118 150 K HA 0.474 4.773 4.320 -0.035 0.000 0.264 150 K C -2.166 174.389 176.600 -0.074 0.000 1.000 150 K CA -1.882 54.363 56.287 -0.070 0.000 0.929 150 K CB 0.857 33.311 32.500 -0.077 0.000 1.021 150 K HN -0.004 nan 8.250 nan 0.000 0.463 151 P HA 0.014 nan 4.420 nan 0.000 0.271 151 P C -0.195 177.116 177.300 0.017 0.000 1.216 151 P CA -0.080 63.022 63.100 0.004 0.000 0.776 151 P CB 0.642 32.367 31.700 0.041 0.000 0.881 152 T N -3.349 111.225 114.554 0.034 0.000 3.231 152 T HA 0.077 4.406 4.350 -0.035 0.000 0.292 152 T C 0.537 175.410 174.700 0.287 0.000 1.001 152 T CA -0.287 61.874 62.100 0.101 0.000 0.920 152 T CB -0.406 68.394 68.868 -0.113 0.000 1.140 152 T HN 0.369 nan 8.240 nan 0.000 0.525 153 D N 1.274 121.793 120.400 0.198 0.000 2.349 153 D HA 0.034 4.653 4.640 -0.035 0.000 0.214 153 D C 0.579 176.963 176.300 0.141 0.000 1.063 153 D CA -0.153 53.934 54.000 0.146 0.000 0.847 153 D CB 0.141 40.992 40.800 0.085 0.000 0.933 153 D HN 0.354 nan 8.370 nan 0.000 0.513 154 K N 1.682 122.192 120.400 0.184 0.000 3.163 154 K HA 0.268 4.567 4.320 -0.035 0.000 0.186 154 K C -2.632 173.984 176.600 0.026 0.000 1.111 154 K CA -1.394 54.955 56.287 0.104 0.000 0.918 154 K CB 1.751 34.306 32.500 0.093 0.000 1.059 154 K HN 0.134 nan 8.250 nan 0.000 0.558 155 P HA 0.027 nan 4.420 nan 0.000 0.276 155 P C -1.073 176.041 177.300 -0.310 0.000 1.230 155 P CA -0.233 62.517 63.100 -0.583 0.000 0.776 155 P CB 0.716 31.970 31.700 -0.743 0.000 0.888 156 N N 2.497 121.010 118.700 -0.312 0.000 2.457 156 N HA 0.605 5.324 4.740 -0.035 0.000 0.290 156 N C -1.240 174.175 175.510 -0.157 0.000 1.232 156 N CA -0.957 51.997 53.050 -0.160 0.000 0.852 156 N CB 1.011 39.441 38.487 -0.096 0.000 1.313 156 N HN 0.210 nan 8.380 nan 0.000 0.522 157 L N 1.080 122.258 121.223 -0.075 0.000 2.438 157 L HA 0.574 4.893 4.340 -0.035 0.000 0.270 157 L C -1.679 175.136 176.870 -0.092 0.000 0.972 157 L CA -0.810 53.990 54.840 -0.066 0.000 0.831 157 L CB 1.523 43.610 42.059 0.047 0.000 1.273 157 L HN 0.545 nan 8.230 nan 0.000 0.405 158 V N 5.062 124.901 119.914 -0.126 0.000 2.398 158 V HA 0.700 4.799 4.120 -0.035 0.000 0.286 158 V C 0.348 176.349 176.094 -0.155 0.000 1.026 158 V CA -0.280 61.947 62.300 -0.123 0.000 0.868 158 V CB 1.309 33.057 31.823 -0.125 0.000 0.982 158 V HN 1.009 nan 8.190 nan 0.000 0.443 159 C N 2.437 121.659 119.300 -0.130 0.000 3.314 159 C HA 0.982 5.421 4.460 -0.035 0.000 0.344 159 C C 0.545 175.497 174.990 -0.064 0.000 1.461 159 C CA -0.083 58.847 59.018 -0.147 0.000 1.249 159 C CB 1.193 28.791 27.740 -0.237 0.000 1.632 159 C HN 0.965 nan 8.230 nan 0.000 0.452 160 G N -0.497 108.285 108.800 -0.030 0.000 2.849 160 G HA2 0.728 4.667 3.960 -0.035 0.000 0.174 160 G HA3 0.728 4.667 3.960 -0.035 0.000 0.174 160 G C -2.680 172.276 174.900 0.095 0.000 1.370 160 G CA -0.881 44.250 45.100 0.052 0.000 1.040 160 G HN 0.682 nan 8.290 nan 0.000 0.582 161 P HA 0.179 nan 4.420 nan 0.000 0.235 161 P C 0.534 178.052 177.300 0.363 0.000 1.765 161 P CA -0.392 62.875 63.100 0.279 0.000 1.034 161 P CB -0.402 31.493 31.700 0.325 0.000 1.984 162 V N -0.965 119.114 119.914 0.275 0.000 3.237 162 V HA 0.167 4.266 4.120 -0.035 0.000 0.305 162 V C 0.735 177.054 176.094 0.375 0.000 1.096 162 V CA -0.576 61.884 62.300 0.266 0.000 1.130 162 V CB 0.357 32.301 31.823 0.202 0.000 1.048 162 V HN 0.194 nan 8.190 nan 0.000 0.484 163 Q N 0.779 120.768 119.800 0.315 0.000 2.443 163 Q HA 0.221 4.540 4.340 -0.035 0.000 0.232 163 Q C 0.994 177.193 176.000 0.332 0.000 1.026 163 Q CA 0.074 56.004 55.803 0.211 0.000 0.924 163 Q CB 1.146 29.932 28.738 0.080 0.000 1.256 163 Q HN 0.945 nan 8.270 nan 0.000 0.519 164 I N 1.870 122.596 120.570 0.259 0.000 2.423 164 I HA -0.318 3.831 4.170 -0.035 0.000 0.254 164 I C 2.270 178.464 176.117 0.129 0.000 1.151 164 I CA 1.393 62.818 61.300 0.209 0.000 1.421 164 I CB -0.048 37.897 38.000 -0.091 0.000 1.079 164 I HN 0.859 nan 8.210 nan 0.000 0.431 165 C N -0.236 119.056 119.300 -0.013 0.000 2.411 165 C HA -0.198 4.241 4.460 -0.035 0.000 0.279 165 C C 2.327 177.153 174.990 -0.274 0.000 1.288 165 C CA 0.237 59.138 59.018 -0.195 0.000 1.764 165 C CB -2.068 25.449 27.740 -0.372 0.000 1.974 165 C HN 0.701 nan 8.230 nan 0.000 0.498 166 W N 0.452 121.792 121.300 0.067 0.000 2.402 166 W HA 0.065 4.705 4.660 -0.034 0.000 0.286 166 W C 2.669 179.203 176.519 0.025 0.000 1.221 166 W CA 1.427 58.794 57.345 0.037 0.000 1.257 166 W CB -0.709 28.716 29.460 -0.059 0.000 1.120 166 W HN 0.464 nan 8.180 nan 0.000 0.551 167 H N -0.049 119.143 119.070 0.203 0.000 2.357 167 H HA -0.078 4.457 4.556 -0.035 0.000 0.301 167 H C 2.064 177.356 175.328 -0.060 0.000 1.082 167 H CA 1.769 57.868 56.048 0.085 0.000 1.342 167 H CB -0.136 29.656 29.762 0.050 0.000 1.389 167 H HN 0.013 nan 8.280 nan 0.000 0.511 168 K N -0.043 120.340 120.400 -0.029 0.000 2.026 168 K HA -0.157 4.143 4.320 -0.035 0.000 0.208 168 K C 2.006 178.457 176.600 -0.247 0.000 1.048 168 K CA 1.359 57.402 56.287 -0.407 0.000 0.929 168 K CB -0.342 32.009 32.500 -0.248 0.000 0.713 168 K HN 0.179 nan 8.250 nan 0.000 0.439 169 F N 2.101 122.040 119.950 -0.018 0.000 2.065 169 F HA -0.282 4.224 4.527 -0.035 0.000 0.298 169 F C 2.239 178.228 175.800 0.314 0.000 1.112 169 F CA 1.566 59.709 58.000 0.238 0.000 1.212 169 F CB -0.705 38.307 39.000 0.020 0.000 0.975 169 F HN 0.015 nan 8.300 nan 0.000 0.476 170 A N 0.545 123.380 122.820 0.025 0.000 1.869 170 A HA -0.323 3.976 4.320 -0.035 0.000 0.218 170 A C 2.315 179.839 177.584 -0.099 0.000 1.203 170 A CA 2.478 54.467 52.037 -0.080 0.000 0.638 170 A CB -1.133 17.904 19.000 0.061 0.000 0.831 170 A HN 0.488 nan 8.150 nan 0.000 0.450 171 R N -1.812 118.629 120.500 -0.098 0.000 2.083 171 R HA -0.160 4.159 4.340 -0.035 0.000 0.237 171 R C 1.893 178.203 176.300 0.018 0.000 1.137 171 R CA 1.985 58.036 56.100 -0.081 0.000 0.951 171 R CB -0.529 29.671 30.300 -0.167 0.000 0.851 171 R HN 0.613 nan 8.270 nan 0.000 0.434 172 Y N -2.091 118.178 120.300 -0.051 0.000 2.457 172 Y HA -0.053 4.475 4.550 -0.035 0.000 0.292 172 Y C 1.135 176.761 175.900 -0.457 0.000 1.125 172 Y CA -0.039 57.900 58.100 -0.269 0.000 1.254 172 Y CB -0.044 38.189 38.460 -0.378 0.000 1.012 172 Y HN 0.200 nan 8.280 nan 0.000 0.555 173 W N 0.408 121.647 121.300 -0.101 0.000 2.818 173 W HA 0.186 4.825 4.660 -0.036 0.000 0.403 173 W C -0.392 176.041 176.519 -0.144 0.000 0.991 173 W CA -0.182 57.073 57.345 -0.149 0.000 1.925 173 W CB 0.216 29.465 29.460 -0.352 0.000 1.166 173 W HN 0.058 nan 8.180 nan 0.000 0.605 174 D N 0.832 121.248 120.400 0.027 0.000 2.689 174 D HA -0.148 4.471 4.640 -0.035 0.000 0.237 174 D C -0.284 176.018 176.300 0.002 0.000 1.148 174 D CA 0.800 54.812 54.000 0.019 0.000 0.656 174 D CB -1.590 39.235 40.800 0.042 0.000 1.050 174 D HN -0.121 nan 8.370 nan 0.000 0.426 175 V N 0.363 120.246 119.914 -0.050 0.000 2.581 175 V HA 0.242 4.341 4.120 -0.035 0.000 0.303 175 V C 0.664 176.743 176.094 -0.024 0.000 1.041 175 V CA -0.804 61.466 62.300 -0.050 0.000 0.907 175 V CB 2.351 34.136 31.823 -0.064 0.000 0.994 175 V HN 0.118 nan 8.190 nan 0.000 0.442 176 E N 4.135 124.321 120.200 -0.025 0.000 2.289 176 E HA 0.257 4.586 4.350 -0.035 0.000 0.278 176 E C -1.220 175.379 176.600 -0.002 0.000 1.032 176 E CA -0.497 55.898 56.400 -0.008 0.000 0.854 176 E CB 1.161 30.854 29.700 -0.012 0.000 1.046 176 E HN 0.535 nan 8.360 nan 0.000 0.409 177 L N 6.277 127.507 121.223 0.011 0.000 2.255 177 L HA 0.323 4.642 4.340 -0.035 0.000 0.289 177 L C -0.372 176.494 176.870 -0.007 0.000 1.046 177 L CA -0.396 54.447 54.840 0.004 0.000 0.816 177 L CB 0.522 42.579 42.059 -0.003 0.000 1.197 177 L HN 0.629 nan 8.230 nan 0.000 0.427 178 R N 4.207 124.692 120.500 -0.025 0.000 2.565 178 R HA 0.170 4.489 4.340 -0.035 0.000 0.286 178 R C -0.285 175.997 176.300 -0.029 0.000 1.256 178 R CA -0.209 55.877 56.100 -0.024 0.000 1.238 178 R CB 0.639 30.918 30.300 -0.035 0.000 1.153 178 R HN 0.538 nan 8.270 nan 0.000 0.553 179 E N 3.406 123.601 120.200 -0.009 0.000 2.167 179 E HA 0.106 4.435 4.350 -0.035 0.000 0.284 179 E C -0.538 176.068 176.600 0.010 0.000 1.016 179 E CA -0.875 55.525 56.400 -0.000 0.000 0.817 179 E CB 0.715 30.435 29.700 0.034 0.000 1.080 179 E HN 0.270 nan 8.360 nan 0.000 0.397 180 I N 8.180 128.752 120.570 0.004 0.000 2.517 180 I HA 0.070 4.219 4.170 -0.035 0.000 0.285 180 I C -1.836 174.288 176.117 0.012 0.000 1.106 180 I CA -1.814 59.489 61.300 0.007 0.000 1.402 180 I CB 0.460 38.464 38.000 0.008 0.000 1.399 180 I HN 0.475 nan 8.210 nan 0.000 0.535 181 P HA 0.106 nan 4.420 nan 0.000 0.271 181 P C -0.412 176.869 177.300 -0.031 0.000 1.218 181 P CA -0.468 62.628 63.100 -0.007 0.000 0.780 181 P CB 0.568 32.263 31.700 -0.009 0.000 0.901 182 M N 2.693 122.257 119.600 -0.060 0.000 2.249 182 M HA 0.080 4.539 4.480 -0.035 0.000 0.340 182 M C 0.809 177.055 176.300 -0.090 0.000 1.166 182 M CA 0.970 56.200 55.300 -0.117 0.000 1.115 182 M CB -0.063 32.447 32.600 -0.149 0.000 1.606 182 M HN 0.403 nan 8.290 nan 0.000 0.448 183 R N 2.335 122.776 120.500 -0.098 0.000 2.707 183 R HA 0.644 4.963 4.340 -0.035 0.000 0.272 183 R C -3.155 173.105 176.300 -0.067 0.000 1.011 183 R CA -1.963 54.098 56.100 -0.065 0.000 0.893 183 R CB -0.398 29.880 30.300 -0.037 0.000 1.233 183 R HN 0.207 nan 8.270 nan 0.000 0.464 184 P HA 0.018 nan 4.420 nan 0.000 0.260 184 P C 0.658 177.946 177.300 -0.021 0.000 1.172 184 P CA 1.972 65.051 63.100 -0.035 0.000 0.760 184 P CB 0.493 32.181 31.700 -0.020 0.000 0.773 185 G N 2.384 111.176 108.800 -0.013 0.000 2.245 185 G HA2 -0.284 3.655 3.960 -0.035 0.000 0.264 185 G HA3 -0.284 3.655 3.960 -0.035 0.000 0.264 185 G C 0.161 175.077 174.900 0.027 0.000 0.985 185 G CA -0.084 45.027 45.100 0.018 0.000 0.625 185 G HN 0.604 nan 8.290 nan 0.000 0.536 186 Q N -0.443 119.347 119.800 -0.016 0.000 3.021 186 Q HA 0.464 4.784 4.340 -0.035 0.000 0.234 186 Q C 0.686 176.600 176.000 -0.143 0.000 0.930 186 Q CA -0.392 55.408 55.803 -0.006 0.000 0.714 186 Q CB 0.827 29.581 28.738 0.026 0.000 1.325 186 Q HN 0.402 nan 8.270 nan 0.000 0.473 187 L N 1.428 122.399 121.223 -0.420 0.000 2.629 187 L HA 0.295 4.615 4.340 -0.035 0.000 0.230 187 L C -0.423 175.867 176.870 -0.966 0.000 1.151 187 L CA 0.566 54.904 54.840 -0.837 0.000 0.924 187 L CB 0.091 41.427 42.059 -1.205 0.000 1.137 187 L HN 0.290 nan 8.230 nan 0.000 0.457 188 F N -1.736 118.249 119.950 0.058 0.000 2.692 188 F HA 0.364 4.870 4.527 -0.035 0.000 0.320 188 F C 0.110 175.936 175.800 0.043 0.000 1.123 188 F CA -1.182 56.853 58.000 0.058 0.000 0.961 188 F CB 1.255 40.295 39.000 0.067 0.000 1.383 188 F HN -0.318 nan 8.300 nan 0.000 0.483 189 M N 3.596 123.340 119.600 0.241 0.000 2.251 189 M HA 0.184 4.644 4.480 -0.035 0.000 0.346 189 M C -0.817 175.560 176.300 0.129 0.000 1.499 189 M CA -0.117 55.258 55.300 0.126 0.000 1.128 189 M CB -0.123 32.517 32.600 0.066 0.000 1.809 189 M HN 0.654 nan 8.290 nan 0.000 0.464 190 D N 5.576 126.037 120.400 0.101 0.000 2.332 190 D HA 0.352 4.971 4.640 -0.035 0.000 0.252 190 D C -2.518 173.810 176.300 0.047 0.000 1.050 190 D CA -1.737 52.318 54.000 0.090 0.000 0.970 190 D CB 0.671 41.524 40.800 0.089 0.000 1.141 190 D HN 0.280 nan 8.370 nan 0.000 0.485 191 P HA -0.187 nan 4.420 nan 0.000 0.216 191 P C 1.468 178.768 177.300 -0.000 0.000 1.153 191 P CA 1.789 64.898 63.100 0.015 0.000 0.858 191 P CB 0.173 31.890 31.700 0.028 0.000 0.789 192 K N -0.105 120.304 120.400 0.015 0.000 2.002 192 K HA -0.129 4.170 4.320 -0.035 0.000 0.209 192 K C 2.151 178.750 176.600 -0.002 0.000 1.048 192 K CA 1.467 57.761 56.287 0.012 0.000 0.930 192 K CB -0.152 32.362 32.500 0.023 0.000 0.714 192 K HN -0.099 nan 8.250 nan 0.000 0.438 193 R N 0.129 120.630 120.500 0.002 0.000 2.115 193 R HA 0.019 4.338 4.340 -0.035 0.000 0.226 193 R C 2.383 178.664 176.300 -0.032 0.000 1.100 193 R CA 1.241 57.337 56.100 -0.007 0.000 0.980 193 R CB -0.218 30.086 30.300 0.006 0.000 0.875 193 R HN 0.337 nan 8.270 nan 0.000 0.445 194 M N 0.633 120.208 119.600 -0.041 0.000 2.073 194 M HA -0.232 4.227 4.480 -0.035 0.000 0.258 194 M C 1.679 177.890 176.300 -0.147 0.000 1.070 194 M CA 1.839 57.089 55.300 -0.083 0.000 1.103 194 M CB -0.023 32.529 32.600 -0.081 0.000 1.321 194 M HN 0.102 nan 8.290 nan 0.000 0.405 195 I N 0.459 120.933 120.570 -0.160 0.000 2.226 195 I HA -0.276 3.873 4.170 -0.035 0.000 0.245 195 I C 2.095 178.107 176.117 -0.176 0.000 1.100 195 I CA 1.625 62.766 61.300 -0.265 0.000 1.374 195 I CB -1.537 36.373 38.000 -0.149 0.000 1.057 195 I HN 0.412 nan 8.210 nan 0.000 0.413 196 E N 0.698 120.857 120.200 -0.068 0.000 2.187 196 E HA -0.223 4.106 4.350 -0.035 0.000 0.199 196 E C 2.045 178.625 176.600 -0.034 0.000 1.004 196 E CA 1.774 58.162 56.400 -0.021 0.000 0.813 196 E CB -0.084 29.612 29.700 -0.007 0.000 0.736 196 E HN 0.525 nan 8.360 nan 0.000 0.468 197 A N -0.613 122.162 122.820 -0.074 0.000 2.238 197 A HA 0.090 4.389 4.320 -0.035 0.000 0.210 197 A C 0.657 178.190 177.584 -0.085 0.000 1.179 197 A CA -0.190 51.809 52.037 -0.062 0.000 0.827 197 A CB 0.173 19.137 19.000 -0.060 0.000 0.856 197 A HN 0.217 nan 8.150 nan 0.000 0.488 198 C N 1.540 120.740 119.300 -0.167 0.000 2.463 198 C HA 0.600 5.040 4.460 -0.035 0.000 0.380 198 C C 0.183 175.182 174.990 0.016 0.000 1.264 198 C CA -0.175 58.721 59.018 -0.202 0.000 2.161 198 C CB 0.216 27.580 27.740 -0.628 0.000 2.515 198 C HN 0.784 nan 8.230 nan 0.000 0.565 199 D N -0.203 120.269 120.400 0.120 0.000 2.921 199 D HA 0.173 4.792 4.640 -0.035 0.000 0.329 199 D C 0.466 176.916 176.300 0.251 0.000 1.293 199 D CA -0.644 53.501 54.000 0.242 0.000 0.964 199 D CB 0.096 40.992 40.800 0.161 0.000 1.435 199 D HN 0.579 nan 8.370 nan 0.000 0.548 200 E N -0.646 119.695 120.200 0.236 0.000 2.409 200 E HA -0.144 4.185 4.350 -0.035 0.000 0.198 200 E C 0.412 177.271 176.600 0.432 0.000 1.024 200 E CA 0.726 57.290 56.400 0.273 0.000 0.861 200 E CB -0.408 29.406 29.700 0.189 0.000 0.788 200 E HN 0.250 nan 8.360 nan 0.000 0.521 201 N N 0.672 119.562 118.700 0.317 0.000 2.412 201 N HA -0.001 4.719 4.740 -0.035 0.000 0.184 201 N C -0.302 175.103 175.510 -0.177 0.000 1.101 201 N CA 0.438 53.653 53.050 0.276 0.000 0.881 201 N CB 0.500 39.083 38.487 0.160 0.000 0.969 201 N HN 0.062 nan 8.380 nan 0.000 0.459 202 T N 2.168 116.690 114.554 -0.055 0.000 2.751 202 T HA 0.113 4.442 4.350 -0.035 0.000 0.290 202 T C 1.903 176.452 174.700 -0.252 0.000 0.919 202 T CA -0.229 61.773 62.100 -0.163 0.000 1.136 202 T CB 0.355 69.191 68.868 -0.053 0.000 0.875 202 T HN 0.235 nan 8.240 nan 0.000 0.532 203 I N 1.045 121.348 120.570 -0.446 0.000 2.761 203 I HA 0.392 4.541 4.170 -0.035 0.000 0.261 203 I C 0.975 177.086 176.117 -0.010 0.000 1.198 203 I CA 0.165 61.286 61.300 -0.298 0.000 1.482 203 I CB -0.046 37.784 38.000 -0.284 0.000 1.100 203 I HN 0.645 nan 8.210 nan 0.000 0.445 204 G N -0.064 108.704 108.800 -0.053 0.000 2.325 204 G HA2 0.435 4.374 3.960 -0.035 0.000 0.297 204 G HA3 0.435 4.374 3.960 -0.035 0.000 0.297 204 G C -1.799 173.042 174.900 -0.099 0.000 1.448 204 G CA -0.473 44.607 45.100 -0.032 0.000 0.838 204 G HN -0.076 nan 8.290 nan 0.000 0.579 205 V N -0.105 119.745 119.914 -0.106 0.000 2.555 205 V HA 0.646 4.746 4.120 -0.035 0.000 0.302 205 V C -0.217 175.759 176.094 -0.197 0.000 1.038 205 V CA -0.665 61.545 62.300 -0.151 0.000 0.887 205 V CB 1.815 33.564 31.823 -0.123 0.000 0.991 205 V HN 0.753 nan 8.190 nan 0.000 0.434 206 V N 6.930 126.666 119.914 -0.297 0.000 2.284 206 V HA 0.337 4.436 4.120 -0.035 0.000 0.274 206 V C -2.460 173.468 176.094 -0.277 0.000 1.023 206 V CA -1.826 60.239 62.300 -0.392 0.000 0.808 206 V CB 1.320 32.613 31.823 -0.884 0.000 1.035 206 V HN 0.734 nan 8.190 nan 0.000 0.445 207 P HA 0.220 nan 4.420 nan 0.000 0.271 207 P C -0.098 177.153 177.300 -0.081 0.000 1.216 207 P CA 0.122 63.164 63.100 -0.096 0.000 0.776 207 P CB 0.484 32.142 31.700 -0.069 0.000 0.881 208 T N 3.547 118.080 114.554 -0.034 0.000 2.781 208 T HA 0.247 4.576 4.350 -0.035 0.000 0.305 208 T C -0.295 174.409 174.700 0.007 0.000 1.001 208 T CA -0.034 62.067 62.100 0.001 0.000 0.950 208 T CB -0.546 68.339 68.868 0.030 0.000 0.955 208 T HN 0.164 nan 8.240 nan 0.000 0.471 209 F N 3.701 123.531 119.950 -0.201 0.000 2.640 209 F HA 0.500 5.006 4.527 -0.035 0.000 0.354 209 F C 1.008 176.746 175.800 -0.103 0.000 1.213 209 F CA -0.647 57.155 58.000 -0.329 0.000 1.314 209 F CB -0.526 38.094 39.000 -0.634 0.000 1.679 209 F HN 0.779 nan 8.300 nan 0.000 0.622 210 G N 2.717 111.431 108.800 -0.144 0.000 2.314 210 G HA2 0.011 3.950 3.960 -0.035 0.000 0.286 210 G HA3 0.011 3.950 3.960 -0.035 0.000 0.286 210 G C -1.214 173.655 174.900 -0.052 0.000 1.270 210 G CA -0.810 44.211 45.100 -0.132 0.000 1.277 210 G HN 0.318 nan 8.290 nan 0.000 0.635 211 V N 2.110 122.001 119.914 -0.038 0.000 2.585 211 V HA 0.212 4.311 4.120 -0.035 0.000 0.296 211 V C 2.055 178.172 176.094 0.038 0.000 1.035 211 V CA 1.024 63.355 62.300 0.052 0.000 1.084 211 V CB 0.987 32.950 31.823 0.234 0.000 0.953 211 V HN 0.763 nan 8.190 nan 0.000 0.483 212 T N 3.850 118.313 114.554 -0.151 0.000 2.684 212 T HA -0.199 4.130 4.350 -0.035 0.000 0.267 212 T C 1.445 176.084 174.700 -0.101 0.000 1.036 212 T CA 2.203 64.161 62.100 -0.236 0.000 1.148 212 T CB -0.355 68.079 68.868 -0.724 0.000 0.863 212 T HN 0.725 nan 8.240 nan 0.000 0.436 213 Y N 1.620 122.024 120.300 0.173 0.000 2.439 213 Y HA 0.006 4.535 4.550 -0.034 0.000 0.292 213 Y C 2.767 178.846 175.900 0.299 0.000 1.130 213 Y CA 1.003 59.232 58.100 0.215 0.000 1.254 213 Y CB -0.751 37.809 38.460 0.165 0.000 1.000 213 Y HN 0.443 nan 8.280 nan 0.000 0.554 214 T N -6.937 107.822 114.554 0.341 0.000 3.048 214 T HA 0.476 4.805 4.350 -0.035 0.000 0.254 214 T C 1.754 176.559 174.700 0.175 0.000 0.942 214 T CA 0.525 62.795 62.100 0.283 0.000 0.931 214 T CB 0.334 69.435 68.868 0.387 0.000 1.220 214 T HN 0.300 nan 8.240 nan 0.000 0.503 215 G N 1.844 110.721 108.800 0.128 0.000 2.213 215 G HA2 -0.206 3.733 3.960 -0.035 0.000 0.236 215 G HA3 -0.206 3.733 3.960 -0.035 0.000 0.236 215 G C -0.078 174.717 174.900 -0.174 0.000 0.991 215 G CA -0.133 44.968 45.100 0.001 0.000 0.629 215 G HN 0.635 nan 8.290 nan 0.000 0.517 216 N N 0.462 119.073 118.700 -0.149 0.000 2.530 216 N HA 0.423 5.142 4.740 -0.035 0.000 0.273 216 N C -0.189 175.010 175.510 -0.520 0.000 1.173 216 N CA -0.052 52.757 53.050 -0.402 0.000 0.967 216 N CB 0.257 38.427 38.487 -0.528 0.000 1.109 216 N HN 0.145 nan 8.380 nan 0.000 0.453 217 Y N 0.699 120.597 120.300 -0.669 0.000 2.346 217 Y HA 0.080 4.609 4.550 -0.035 0.000 0.330 217 Y C 1.049 176.418 175.900 -0.886 0.000 1.178 217 Y CA -0.098 57.467 58.100 -0.892 0.000 1.331 217 Y CB 0.348 38.026 38.460 -1.303 0.000 1.253 217 Y HN 0.318 nan 8.280 nan 0.000 0.529 218 E N 3.221 123.190 120.200 -0.385 0.000 2.115 218 E HA 0.222 4.551 4.350 -0.035 0.000 0.282 218 E C -1.319 175.174 176.600 -0.178 0.000 0.987 218 E CA -0.471 55.791 56.400 -0.230 0.000 0.797 218 E CB 0.513 30.178 29.700 -0.059 0.000 1.086 218 E HN 0.341 nan 8.360 nan 0.000 0.397 219 F N 4.729 124.711 119.950 0.053 0.000 2.438 219 F HA 0.179 4.685 4.527 -0.034 0.000 0.360 219 F C -1.409 174.402 175.800 0.017 0.000 1.118 219 F CA -2.127 55.907 58.000 0.058 0.000 1.164 219 F CB 0.733 39.760 39.000 0.045 0.000 1.131 219 F HN 0.428 nan 8.300 nan 0.000 0.527 220 P HA -0.182 nan 4.420 nan 0.000 0.223 220 P C 1.565 178.910 177.300 0.075 0.000 1.151 220 P CA 0.924 64.052 63.100 0.046 0.000 0.787 220 P CB 0.170 31.837 31.700 -0.055 0.000 0.788 221 Q N 0.302 120.148 119.800 0.077 0.000 2.020 221 Q HA -0.119 4.200 4.340 -0.035 0.000 0.202 221 Q C -0.670 175.378 176.000 0.080 0.000 0.982 221 Q CA 2.602 58.430 55.803 0.042 0.000 0.838 221 Q CB -1.591 27.139 28.738 -0.014 0.000 0.899 221 Q HN 0.188 nan 8.270 nan 0.000 0.423 222 P HA -0.142 nan 4.420 nan 0.000 0.217 222 P C 0.930 178.272 177.300 0.071 0.000 1.150 222 P CA 1.168 64.306 63.100 0.063 0.000 0.832 222 P CB -0.109 31.622 31.700 0.052 0.000 0.787 223 L N -1.425 119.844 121.223 0.078 0.000 2.079 223 L HA -0.217 4.102 4.340 -0.035 0.000 0.210 223 L C 2.805 179.702 176.870 0.046 0.000 1.081 223 L CA 1.484 56.352 54.840 0.046 0.000 0.752 223 L CB -1.272 40.805 42.059 0.031 0.000 0.896 223 L HN 0.157 nan 8.230 nan 0.000 0.433 224 H N 0.590 119.653 119.070 -0.012 0.000 2.357 224 H HA -0.160 4.375 4.556 -0.035 0.000 0.301 224 H C 1.660 176.990 175.328 0.002 0.000 1.082 224 H CA 1.799 57.838 56.048 -0.016 0.000 1.342 224 H CB 0.179 29.921 29.762 -0.033 0.000 1.389 224 H HN 0.326 nan 8.280 nan 0.000 0.511 225 D N 0.680 121.173 120.400 0.156 0.000 2.104 225 D HA -0.131 4.488 4.640 -0.035 0.000 0.194 225 D C 2.249 178.577 176.300 0.047 0.000 0.994 225 D CA 1.359 55.421 54.000 0.104 0.000 0.830 225 D CB -0.533 40.313 40.800 0.077 0.000 0.959 225 D HN 0.466 nan 8.370 nan 0.000 0.452 226 A N 0.713 123.554 122.820 0.034 0.000 1.933 226 A HA -0.126 4.173 4.320 -0.035 0.000 0.218 226 A C 2.420 180.029 177.584 0.043 0.000 1.175 226 A CA 0.927 52.984 52.037 0.033 0.000 0.628 226 A CB -0.746 18.260 19.000 0.010 0.000 0.814 226 A HN 0.218 nan 8.150 nan 0.000 0.444 227 L N -0.700 120.510 121.223 -0.022 0.000 2.141 227 L HA -0.157 4.162 4.340 -0.035 0.000 0.209 227 L C 1.976 178.862 176.870 0.027 0.000 1.094 227 L CA 1.197 56.029 54.840 -0.014 0.000 0.763 227 L CB -0.632 41.348 42.059 -0.132 0.000 0.908 227 L HN 0.299 nan 8.230 nan 0.000 0.437 228 D N 0.274 120.651 120.400 -0.038 0.000 2.117 228 D HA -0.203 4.416 4.640 -0.035 0.000 0.197 228 D C 2.109 178.437 176.300 0.046 0.000 0.987 228 D CA 1.208 55.206 54.000 -0.003 0.000 0.829 228 D CB 0.051 40.858 40.800 0.011 0.000 0.961 228 D HN 0.215 nan 8.370 nan 0.000 0.460 229 K N -0.372 120.069 120.400 0.068 0.000 2.057 229 K HA -0.140 4.159 4.320 -0.035 0.000 0.206 229 K C 2.089 178.752 176.600 0.104 0.000 1.050 229 K CA 0.641 56.973 56.287 0.075 0.000 0.935 229 K CB -0.299 32.248 32.500 0.078 0.000 0.715 229 K HN -0.023 nan 8.250 nan 0.000 0.439 230 F N 2.173 122.115 119.950 -0.013 0.000 2.126 230 F HA -0.205 4.301 4.527 -0.035 0.000 0.299 230 F C 2.501 178.299 175.800 -0.003 0.000 1.096 230 F CA 2.020 60.016 58.000 -0.007 0.000 1.255 230 F CB -0.284 38.709 39.000 -0.011 0.000 0.997 230 F HN 0.218 nan 8.300 nan 0.000 0.479 231 Q N -0.073 119.756 119.800 0.050 0.000 2.083 231 Q HA -0.117 4.203 4.340 -0.035 0.000 0.198 231 Q C 2.343 178.304 176.000 -0.064 0.000 0.969 231 Q CA 1.298 57.084 55.803 -0.028 0.000 0.838 231 Q CB -0.350 28.405 28.738 0.029 0.000 0.900 231 Q HN 0.413 nan 8.270 nan 0.000 0.436 232 A N 1.425 124.228 122.820 -0.029 0.000 1.884 232 A HA -0.262 4.037 4.320 -0.035 0.000 0.219 232 A C 1.676 179.221 177.584 -0.065 0.000 1.197 232 A CA 2.140 54.159 52.037 -0.031 0.000 0.637 232 A CB -0.853 18.144 19.000 -0.006 0.000 0.827 232 A HN 0.524 nan 8.150 nan 0.000 0.450 233 D N -1.754 118.589 120.400 -0.094 0.000 2.277 233 D HA -0.028 4.591 4.640 -0.035 0.000 0.208 233 D C 1.826 178.014 176.300 -0.186 0.000 0.962 233 D CA 1.871 55.800 54.000 -0.119 0.000 0.865 233 D CB -0.017 40.721 40.800 -0.103 0.000 0.939 233 D HN 0.673 nan 8.370 nan 0.000 0.510 234 T N -5.427 108.954 114.554 -0.288 0.000 3.046 234 T HA 0.354 4.683 4.350 -0.035 0.000 0.270 234 T C 1.600 176.165 174.700 -0.225 0.000 0.920 234 T CA 0.664 62.568 62.100 -0.328 0.000 0.874 234 T CB 0.801 69.277 68.868 -0.653 0.000 1.214 234 T HN 0.105 nan 8.240 nan 0.000 0.536 235 G N 1.942 110.638 108.800 -0.173 0.000 2.184 235 G HA2 -0.214 3.725 3.960 -0.035 0.000 0.264 235 G HA3 -0.214 3.725 3.960 -0.035 0.000 0.264 235 G C -0.017 174.845 174.900 -0.063 0.000 0.975 235 G CA 0.276 45.322 45.100 -0.091 0.000 0.642 235 G HN 0.714 nan 8.290 nan 0.000 0.536 236 I N 1.422 121.927 120.570 -0.108 0.000 2.312 236 I HA 0.310 4.459 4.170 -0.035 0.000 0.291 236 I C -0.265 175.929 176.117 0.129 0.000 1.031 236 I CA -0.542 60.776 61.300 0.029 0.000 1.293 236 I CB 1.275 39.335 38.000 0.099 0.000 1.403 236 I HN -0.013 nan 8.210 nan 0.000 0.484 237 D N 8.586 129.062 120.400 0.126 0.000 2.467 237 D HA 0.389 5.008 4.640 -0.035 0.000 0.220 237 D C -0.505 175.879 176.300 0.139 0.000 1.103 237 D CA -0.243 53.825 54.000 0.115 0.000 0.886 237 D CB 0.547 41.395 40.800 0.079 0.000 1.025 237 D HN 0.311 nan 8.370 nan 0.000 0.514 238 I N 3.068 123.718 120.570 0.134 0.000 2.359 238 I HA 0.233 4.382 4.170 -0.035 0.000 0.294 238 I C 0.486 176.632 176.117 0.048 0.000 0.987 238 I CA -0.825 60.537 61.300 0.104 0.000 1.225 238 I CB 1.490 39.532 38.000 0.069 0.000 1.366 238 I HN 0.153 nan 8.210 nan 0.000 0.466 239 D N 6.073 126.516 120.400 0.070 0.000 2.437 239 D HA 0.573 5.192 4.640 -0.035 0.000 0.259 239 D C -0.355 175.962 176.300 0.028 0.000 1.118 239 D CA -0.315 53.721 54.000 0.060 0.000 1.017 239 D CB 1.545 42.413 40.800 0.114 0.000 1.120 239 D HN 0.298 nan 8.370 nan 0.000 0.541 240 M N -0.061 119.556 119.600 0.028 0.000 2.535 240 M HA 0.254 4.714 4.480 -0.035 0.000 0.314 240 M C -0.966 175.337 176.300 0.006 0.000 1.153 240 M CA -0.641 54.651 55.300 -0.013 0.000 0.924 240 M CB 2.471 35.048 32.600 -0.038 0.000 1.710 240 M HN 0.332 nan 8.290 nan 0.000 0.451 241 H N 2.689 121.682 119.070 -0.129 0.000 2.589 241 H HA 0.476 5.011 4.556 -0.035 0.000 0.335 241 H C -1.376 173.835 175.328 -0.195 0.000 1.019 241 H CA -0.698 55.265 56.048 -0.143 0.000 1.213 241 H CB 1.012 30.708 29.762 -0.109 0.000 1.472 241 H HN 0.483 nan 8.280 nan 0.000 0.508 242 I N 4.419 124.650 120.570 -0.566 0.000 2.337 242 I HA 0.050 4.199 4.170 -0.035 0.000 0.291 242 I C 0.287 176.269 176.117 -0.225 0.000 1.046 242 I CA -0.336 60.752 61.300 -0.353 0.000 1.324 242 I CB 0.525 38.303 38.000 -0.370 0.000 1.409 242 I HN 0.736 nan 8.210 nan 0.000 0.494 243 D N 6.671 127.093 120.400 0.036 0.000 2.402 243 D HA 0.297 4.916 4.640 -0.035 0.000 0.235 243 D C 0.488 176.821 176.300 0.055 0.000 1.226 243 D CA -0.078 54.032 54.000 0.183 0.000 0.918 243 D CB 0.853 41.850 40.800 0.328 0.000 1.043 243 D HN 0.624 nan 8.370 nan 0.000 0.506 244 A N 3.461 126.268 122.820 -0.020 0.000 2.630 244 A HA 0.511 4.810 4.320 -0.035 0.000 0.290 244 A C 1.879 179.492 177.584 0.049 0.000 1.267 244 A CA 0.404 52.400 52.037 -0.068 0.000 0.950 244 A CB -0.072 18.728 19.000 -0.333 0.000 1.144 244 A HN 0.565 nan 8.150 nan 0.000 0.527 245 A N 0.883 123.767 122.820 0.107 0.000 1.942 245 A HA -0.341 3.958 4.320 -0.035 0.000 0.227 245 A C 2.485 180.212 177.584 0.238 0.000 1.445 245 A CA 3.186 55.312 52.037 0.148 0.000 0.704 245 A CB -0.918 18.110 19.000 0.046 0.000 0.841 245 A HN 1.327 nan 8.150 nan 0.000 0.495 246 S N -2.431 113.388 115.700 0.198 0.000 2.510 246 S HA 0.294 4.743 4.470 -0.035 0.000 0.230 246 S C 2.126 176.847 174.600 0.201 0.000 1.066 246 S CA 1.047 59.452 58.200 0.342 0.000 0.941 246 S CB -1.043 62.381 63.200 0.373 0.000 0.829 246 S HN 0.967 nan 8.310 nan 0.000 0.530 247 G N 1.595 110.389 108.800 -0.009 0.000 2.485 247 G HA2 0.014 3.953 3.960 -0.035 0.000 0.221 247 G HA3 0.014 3.953 3.960 -0.035 0.000 0.221 247 G C 1.402 176.229 174.900 -0.121 0.000 1.115 247 G CA 0.767 45.743 45.100 -0.206 0.000 0.751 247 G HN 0.691 nan 8.290 nan 0.000 0.567 248 G N -0.038 108.721 108.800 -0.069 0.000 2.462 248 G HA2 -0.088 3.851 3.960 -0.035 0.000 0.220 248 G HA3 -0.088 3.851 3.960 -0.035 0.000 0.220 248 G C 1.013 175.926 174.900 0.022 0.000 1.121 248 G CA 0.418 45.456 45.100 -0.103 0.000 0.758 248 G HN 0.397 nan 8.290 nan 0.000 0.559 249 F N -0.491 119.721 119.950 0.437 0.000 2.668 249 F HA 0.499 5.007 4.527 -0.032 0.000 0.301 249 F C 1.462 177.606 175.800 0.573 0.000 1.106 249 F CA -0.353 57.973 58.000 0.543 0.000 1.289 249 F CB 0.469 39.844 39.000 0.625 0.000 1.006 249 F HN -0.013 nan 8.300 nan 0.000 0.535 250 L N -1.198 120.280 121.223 0.426 0.000 2.919 250 L HA 0.303 4.622 4.340 -0.035 0.000 0.169 250 L C 2.521 179.583 176.870 0.319 0.000 1.228 250 L CA 0.791 55.859 54.840 0.380 0.000 0.862 250 L CB -1.025 41.118 42.059 0.140 0.000 1.313 250 L HN -0.015 nan 8.230 nan 0.000 0.526 251 A N 1.091 124.019 122.820 0.181 0.000 1.915 251 A HA -0.188 4.111 4.320 -0.035 0.000 0.220 251 A C -0.455 177.218 177.584 0.148 0.000 1.198 251 A CA 2.418 54.546 52.037 0.152 0.000 0.647 251 A CB -2.127 16.895 19.000 0.037 0.000 0.825 251 A HN 0.305 nan 8.150 nan 0.000 0.456 252 P HA -0.074 nan 4.420 nan 0.000 0.222 252 P C 0.695 177.856 177.300 -0.232 0.000 1.147 252 P CA 0.945 63.976 63.100 -0.116 0.000 0.790 252 P CB -0.111 31.362 31.700 -0.377 0.000 0.780 253 F N -1.325 118.744 119.950 0.198 0.000 2.383 253 F HA 0.033 4.540 4.527 -0.034 0.000 0.287 253 F C 2.042 177.928 175.800 0.143 0.000 1.069 253 F CA 0.623 58.726 58.000 0.172 0.000 1.402 253 F CB -1.155 37.982 39.000 0.229 0.000 1.116 253 F HN -0.250 nan 8.300 nan 0.000 0.549 254 V N -3.032 117.063 119.914 0.301 0.000 3.578 254 V HA 0.675 4.774 4.120 -0.035 0.000 0.290 254 V C 0.562 176.700 176.094 0.072 0.000 1.376 254 V CA 0.474 62.868 62.300 0.158 0.000 1.083 254 V CB -0.148 31.729 31.823 0.090 0.000 0.911 254 V HN 0.130 nan 8.190 nan 0.000 0.433 255 A N 1.035 123.921 122.820 0.109 0.000 3.448 255 A HA 0.631 4.931 4.320 -0.035 0.000 0.232 255 A C -1.559 176.101 177.584 0.126 0.000 1.018 255 A CA -0.363 51.733 52.037 0.098 0.000 0.996 255 A CB 0.209 19.280 19.000 0.119 0.000 1.283 255 A HN 0.310 nan 8.150 nan 0.000 0.586 256 P HA -0.114 nan 4.420 nan 0.000 0.226 256 P C 0.265 177.611 177.300 0.077 0.000 1.146 256 P CA 1.204 64.368 63.100 0.106 0.000 0.773 256 P CB 0.325 32.078 31.700 0.088 0.000 0.772 257 D N -0.485 119.954 120.400 0.066 0.000 2.333 257 D HA 0.078 4.697 4.640 -0.035 0.000 0.208 257 D C 0.988 177.313 176.300 0.042 0.000 0.984 257 D CA 0.143 54.160 54.000 0.028 0.000 0.873 257 D CB -0.185 40.626 40.800 0.019 0.000 0.935 257 D HN 0.251 nan 8.370 nan 0.000 0.521 258 I N 1.812 122.455 120.570 0.120 0.000 2.581 258 I HA -0.051 4.098 4.170 -0.035 0.000 0.285 258 I C 0.107 176.315 176.117 0.152 0.000 1.129 258 I CA -0.133 61.276 61.300 0.182 0.000 1.397 258 I CB 0.732 38.913 38.000 0.301 0.000 1.399 258 I HN -0.339 nan 8.210 nan 0.000 0.537 259 V N 8.185 128.112 119.914 0.022 0.000 2.356 259 V HA 0.075 4.174 4.120 -0.035 0.000 0.258 259 V C 0.533 176.539 176.094 -0.147 0.000 1.065 259 V CA -0.082 62.130 62.300 -0.147 0.000 0.935 259 V CB -0.089 31.621 31.823 -0.188 0.000 1.061 259 V HN 0.954 nan 8.190 nan 0.000 0.484 260 W N 3.544 124.571 121.300 -0.454 0.000 2.121 260 W HA 0.293 4.932 4.660 -0.035 0.000 0.275 260 W C -0.155 175.950 176.519 -0.690 0.000 0.903 260 W CA 0.089 57.047 57.345 -0.645 0.000 1.253 260 W CB -0.133 28.604 29.460 -1.206 0.000 1.016 260 W HN 0.634 nan 8.180 nan 0.000 0.537 261 D N 0.529 120.072 120.400 -1.428 0.000 2.489 261 D HA 0.237 4.856 4.640 -0.035 0.000 0.232 261 D C 0.729 176.493 176.300 -0.893 0.000 1.230 261 D CA -0.572 52.462 54.000 -1.611 0.000 1.101 261 D CB -0.484 39.097 40.800 -2.032 0.000 1.198 261 D HN -0.249 nan 8.370 nan 0.000 0.611 262 F N -0.229 119.427 119.950 -0.491 0.000 2.641 262 F HA 0.187 4.693 4.527 -0.035 0.000 0.298 262 F C 2.249 177.902 175.800 -0.245 0.000 1.146 262 F CA 0.270 58.112 58.000 -0.263 0.000 1.464 262 F CB -0.397 38.523 39.000 -0.132 0.000 1.101 262 F HN 0.012 nan 8.300 nan 0.000 0.585 263 R N -0.004 120.359 120.500 -0.228 0.000 2.193 263 R HA -0.031 4.288 4.340 -0.035 0.000 0.229 263 R C 0.296 176.442 176.300 -0.256 0.000 1.110 263 R CA 0.537 56.485 56.100 -0.254 0.000 0.988 263 R CB -0.280 29.780 30.300 -0.400 0.000 0.871 263 R HN 0.230 nan 8.270 nan 0.000 0.458 264 L N 1.447 122.483 121.223 -0.312 0.000 2.265 264 L HA 0.201 4.520 4.340 -0.035 0.000 0.288 264 L C -1.668 175.131 176.870 -0.119 0.000 1.058 264 L CA -2.026 52.576 54.840 -0.397 0.000 0.809 264 L CB 1.235 42.988 42.059 -0.511 0.000 1.179 264 L HN -0.220 nan 8.230 nan 0.000 0.429 265 P HA -0.149 nan 4.420 nan 0.000 0.216 265 P C 1.242 178.672 177.300 0.216 0.000 1.150 265 P CA 1.382 64.569 63.100 0.144 0.000 0.843 265 P CB 0.155 31.955 31.700 0.166 0.000 0.787 266 R N -1.131 119.597 120.500 0.381 0.000 2.276 266 R HA 0.061 4.380 4.340 -0.035 0.000 0.203 266 R C 0.157 176.535 176.300 0.130 0.000 1.017 266 R CA 0.113 56.322 56.100 0.182 0.000 1.010 266 R CB -0.300 29.995 30.300 -0.008 0.000 0.900 266 R HN 0.057 nan 8.270 nan 0.000 0.469 267 V N 2.006 121.981 119.914 0.101 0.000 2.415 267 V HA -0.001 4.099 4.120 -0.035 0.000 0.267 267 V C 0.660 176.838 176.094 0.140 0.000 1.042 267 V CA 0.593 62.881 62.300 -0.020 0.000 1.000 267 V CB 1.203 32.871 31.823 -0.259 0.000 1.015 267 V HN 0.062 nan 8.190 nan 0.000 0.478 268 K N 2.556 123.055 120.400 0.166 0.000 2.354 268 K HA 0.215 4.514 4.320 -0.035 0.000 0.194 268 K C 0.457 177.297 176.600 0.400 0.000 1.045 268 K CA 0.307 56.783 56.287 0.314 0.000 1.026 268 K CB 0.583 33.251 32.500 0.280 0.000 0.866 268 K HN 0.841 nan 8.250 nan 0.000 0.530 269 S N -1.159 114.636 115.700 0.158 0.000 2.587 269 S HA 0.632 5.082 4.470 -0.035 0.000 0.269 269 S C -0.958 173.292 174.600 -0.583 0.000 1.154 269 S CA -1.080 57.080 58.200 -0.068 0.000 0.824 269 S CB 1.403 64.417 63.200 -0.311 0.000 1.118 269 S HN -0.047 nan 8.310 nan 0.000 0.462 270 I N 1.491 121.728 120.570 -0.555 0.000 2.722 270 I HA 0.617 4.766 4.170 -0.035 0.000 0.295 270 I C -0.689 175.259 176.117 -0.282 0.000 1.161 270 I CA -0.568 60.292 61.300 -0.732 0.000 1.032 270 I CB 2.682 40.124 38.000 -0.929 0.000 1.244 270 I HN 0.950 nan 8.210 nan 0.000 0.421 271 S N 3.547 119.141 115.700 -0.177 0.000 2.568 271 S HA 0.997 5.446 4.470 -0.035 0.000 0.293 271 S C -0.804 173.909 174.600 0.187 0.000 1.089 271 S CA -0.737 57.573 58.200 0.183 0.000 0.945 271 S CB 2.640 66.004 63.200 0.272 0.000 1.077 271 S HN 0.962 nan 8.310 nan 0.000 0.485 272 A N 0.974 124.031 122.820 0.395 0.000 2.608 272 A HA 0.782 5.081 4.320 -0.035 0.000 0.292 272 A C -0.813 177.057 177.584 0.476 0.000 1.066 272 A CA -0.868 51.441 52.037 0.453 0.000 0.676 272 A CB 1.166 20.563 19.000 0.662 0.000 1.277 272 A HN 0.887 nan 8.150 nan 0.000 0.413 273 S N 0.399 116.336 115.700 0.395 0.000 2.457 273 S HA 0.468 4.918 4.470 -0.035 0.000 0.289 273 S C 1.352 176.126 174.600 0.291 0.000 1.163 273 S CA 0.039 58.322 58.200 0.138 0.000 1.078 273 S CB 1.511 64.676 63.200 -0.059 0.000 0.987 273 S HN 1.341 nan 8.310 nan 0.000 0.482 274 G N 1.765 110.663 108.800 0.162 0.000 2.422 274 G HA2 -0.182 3.757 3.960 -0.035 0.000 0.218 274 G HA3 -0.182 3.757 3.960 -0.035 0.000 0.218 274 G C 1.004 175.925 174.900 0.035 0.000 1.140 274 G CA 0.376 45.554 45.100 0.130 0.000 0.775 274 G HN 0.946 nan 8.290 nan 0.000 0.545 275 H N -0.533 118.585 119.070 0.080 0.000 2.533 275 H HA 0.372 4.907 4.556 -0.035 0.000 0.271 275 H C 1.298 176.650 175.328 0.039 0.000 1.000 275 H CA 0.072 56.141 56.048 0.034 0.000 1.149 275 H CB 0.294 30.057 29.762 0.001 0.000 1.375 275 H HN 0.248 nan 8.280 nan 0.000 0.582 276 K N 0.539 121.085 120.400 0.244 0.000 4.047 276 K HA 0.173 4.472 4.320 -0.035 0.000 0.172 276 K C 0.704 177.340 176.600 0.060 0.000 1.146 276 K CA -0.398 55.985 56.287 0.160 0.000 1.760 276 K CB 0.067 32.734 32.500 0.279 0.000 2.442 276 K HN -0.003 nan 8.250 nan 0.000 0.539 277 F N 1.416 121.542 119.950 0.294 0.000 2.802 277 F HA 0.042 4.550 4.527 -0.033 0.000 0.300 277 F C 1.896 177.869 175.800 0.289 0.000 1.168 277 F CA 0.508 58.689 58.000 0.302 0.000 1.433 277 F CB -0.314 38.900 39.000 0.356 0.000 1.115 277 F HN 0.483 nan 8.300 nan 0.000 0.582 278 G N -0.400 108.482 108.800 0.137 0.000 2.509 278 G HA2 -0.062 3.877 3.960 -0.035 0.000 0.218 278 G HA3 -0.062 3.877 3.960 -0.035 0.000 0.218 278 G C 1.202 176.116 174.900 0.023 0.000 1.124 278 G CA 0.720 45.520 45.100 -0.502 0.000 0.776 278 G HN 0.479 nan 8.290 nan 0.000 0.547 279 L N -2.585 118.688 121.223 0.083 0.000 4.892 279 L HA -0.169 4.150 4.340 -0.035 0.000 0.403 279 L C 1.353 178.267 176.870 0.073 0.000 0.913 279 L CA -0.091 54.795 54.840 0.076 0.000 1.653 279 L CB -2.169 39.910 42.059 0.033 0.000 1.780 279 L HN 0.385 nan 8.230 nan 0.000 0.597 280 A N 0.784 123.639 122.820 0.058 0.000 2.425 280 A HA 0.604 4.904 4.320 -0.035 0.000 0.242 280 A C -1.772 175.863 177.584 0.085 0.000 1.077 280 A CA -0.612 51.464 52.037 0.065 0.000 0.781 280 A CB -0.079 18.956 19.000 0.060 0.000 1.020 280 A HN 0.085 nan 8.150 nan 0.000 0.494 281 P HA 0.169 nan 4.420 nan 0.000 0.272 281 P C -0.203 177.121 177.300 0.040 0.000 1.240 281 P CA -0.271 62.838 63.100 0.015 0.000 0.791 281 P CB 0.260 31.928 31.700 -0.052 0.000 0.978 282 L N 0.626 121.828 121.223 -0.036 0.000 2.628 282 L HA 0.047 4.366 4.340 -0.035 0.000 0.292 282 L C 1.596 178.455 176.870 -0.018 0.000 1.250 282 L CA 1.620 56.377 54.840 -0.138 0.000 0.892 282 L CB -1.132 40.800 42.059 -0.211 0.000 1.138 282 L HN 0.915 nan 8.230 nan 0.000 0.502 283 G N 2.027 110.916 108.800 0.147 0.000 2.173 283 G HA2 -0.196 3.743 3.960 -0.035 0.000 0.174 283 G HA3 -0.196 3.743 3.960 -0.035 0.000 0.174 283 G C -0.434 174.471 174.900 0.008 0.000 1.025 283 G CA -0.305 44.832 45.100 0.061 0.000 0.706 283 G HN 0.742 nan 8.290 nan 0.000 0.499 284 C N 0.640 120.004 119.300 0.107 0.000 2.516 284 C HA 0.885 5.324 4.460 -0.035 0.000 0.338 284 C C 0.686 175.397 174.990 -0.466 0.000 1.132 284 C CA 0.635 59.501 59.018 -0.253 0.000 1.310 284 C CB 0.543 28.197 27.740 -0.143 0.000 1.898 284 C HN 1.353 nan 8.230 nan 0.000 0.452 285 G N 3.257 111.705 108.800 -0.586 0.000 2.730 285 G HA2 0.827 4.766 3.960 -0.035 0.000 0.289 285 G HA3 0.827 4.766 3.960 -0.035 0.000 0.289 285 G C -2.098 172.346 174.900 -0.760 0.000 1.341 285 G CA -0.571 44.254 45.100 -0.458 0.000 0.932 285 G HN 0.715 nan 8.290 nan 0.000 0.481 286 W N -0.896 120.498 121.300 0.156 0.000 3.138 286 W HA 0.577 5.215 4.660 -0.037 0.000 0.331 286 W C -0.883 175.758 176.519 0.203 0.000 1.166 286 W CA -0.862 56.600 57.345 0.196 0.000 1.212 286 W CB 2.479 32.096 29.460 0.261 0.000 1.399 286 W HN 0.405 nan 8.180 nan 0.000 0.514 287 V N 5.585 125.716 119.914 0.362 0.000 2.638 287 V HA 0.642 4.742 4.120 -0.035 0.000 0.306 287 V C -1.231 174.942 176.094 0.131 0.000 1.052 287 V CA -0.862 61.533 62.300 0.159 0.000 0.885 287 V CB 1.225 32.974 31.823 -0.123 0.000 0.999 287 V HN 0.428 nan 8.190 nan 0.000 0.424 288 I N 6.221 126.894 120.570 0.172 0.000 2.474 288 I HA 0.483 4.632 4.170 -0.035 0.000 0.294 288 I C -0.351 175.855 176.117 0.148 0.000 1.005 288 I CA -0.525 60.934 61.300 0.266 0.000 1.113 288 I CB 1.869 40.151 38.000 0.471 0.000 1.289 288 I HN 0.603 nan 8.210 nan 0.000 0.436 289 W N 4.579 126.048 121.300 0.283 0.000 2.509 289 W HA 0.366 5.005 4.660 -0.035 0.000 0.351 289 W C 1.478 177.907 176.519 -0.149 0.000 1.107 289 W CA -0.591 56.873 57.345 0.199 0.000 1.264 289 W CB 1.701 31.264 29.460 0.171 0.000 1.312 289 W HN 0.658 nan 8.180 nan 0.000 0.608 290 R N 0.622 121.127 120.500 0.008 0.000 2.081 290 R HA -0.158 4.162 4.340 -0.035 0.000 0.235 290 R C -0.354 175.829 176.300 -0.194 0.000 1.131 290 R CA 2.196 58.052 56.100 -0.406 0.000 0.960 290 R CB 0.005 30.272 30.300 -0.054 0.000 0.856 290 R HN 0.628 nan 8.270 nan 0.000 0.436 291 D N -3.123 117.281 120.400 0.007 0.000 2.764 291 D HA 0.009 4.628 4.640 -0.035 0.000 0.293 291 D C -0.052 176.275 176.300 0.047 0.000 1.287 291 D CA -0.682 53.324 54.000 0.009 0.000 0.768 291 D CB 0.121 40.914 40.800 -0.011 0.000 1.288 291 D HN -0.211 nan 8.370 nan 0.000 0.426 292 E N 0.267 120.476 120.200 0.015 0.000 2.130 292 E HA -0.220 4.109 4.350 -0.035 0.000 0.196 292 E C 1.310 177.902 176.600 -0.013 0.000 0.998 292 E CA 1.414 57.808 56.400 -0.010 0.000 0.806 292 E CB -0.051 29.638 29.700 -0.018 0.000 0.738 292 E HN 0.644 nan 8.360 nan 0.000 0.459 293 E N 0.039 120.249 120.200 0.016 0.000 2.204 293 E HA -0.095 4.234 4.350 -0.035 0.000 0.195 293 E C 1.721 178.360 176.600 0.064 0.000 0.990 293 E CA 0.747 57.166 56.400 0.031 0.000 0.821 293 E CB 0.005 29.730 29.700 0.041 0.000 0.750 293 E HN 0.195 nan 8.360 nan 0.000 0.477 294 A N 0.434 123.319 122.820 0.108 0.000 2.206 294 A HA 0.015 4.315 4.320 -0.035 0.000 0.211 294 A C 0.755 178.409 177.584 0.117 0.000 1.158 294 A CA 0.198 52.361 52.037 0.211 0.000 0.761 294 A CB 0.162 19.378 19.000 0.360 0.000 0.801 294 A HN 0.145 nan 8.150 nan 0.000 0.473 295 L N 0.529 121.687 121.223 -0.108 0.000 2.388 295 L HA 0.528 4.847 4.340 -0.035 0.000 0.267 295 L C -2.973 173.729 176.870 -0.281 0.000 0.995 295 L CA -2.489 52.101 54.840 -0.416 0.000 0.864 295 L CB 1.463 43.059 42.059 -0.773 0.000 1.216 295 L HN -0.181 nan 8.230 nan 0.000 0.430 296 P HA 0.071 nan 4.420 nan 0.000 0.261 296 P C 0.106 177.239 177.300 -0.278 0.000 1.183 296 P CA 0.033 63.042 63.100 -0.151 0.000 0.761 296 P CB 0.591 32.271 31.700 -0.033 0.000 0.785 297 Q N 2.328 122.015 119.800 -0.189 0.000 2.226 297 Q HA -0.170 4.149 4.340 -0.035 0.000 0.204 297 Q C 1.246 177.086 176.000 -0.267 0.000 0.975 297 Q CA 1.629 57.303 55.803 -0.215 0.000 0.866 297 Q CB -0.166 28.490 28.738 -0.136 0.000 0.915 297 Q HN 0.537 nan 8.270 nan 0.000 0.440 298 E N -0.055 120.012 120.200 -0.221 0.000 2.268 298 E HA -0.090 4.239 4.350 -0.035 0.000 0.195 298 E C 1.687 178.039 176.600 -0.413 0.000 0.995 298 E CA 0.525 56.792 56.400 -0.221 0.000 0.836 298 E CB -0.106 29.605 29.700 0.018 0.000 0.763 298 E HN 0.295 nan 8.360 nan 0.000 0.491 299 L N 0.075 120.943 121.223 -0.591 0.000 2.492 299 L HA 0.070 4.389 4.340 -0.035 0.000 0.223 299 L C 0.162 176.657 176.870 -0.626 0.000 1.132 299 L CA -0.085 54.279 54.840 -0.794 0.000 0.850 299 L CB 0.212 41.435 42.059 -1.394 0.000 0.966 299 L HN -0.059 nan 8.230 nan 0.000 0.454 300 V N 0.055 119.677 119.914 -0.488 0.000 2.439 300 V HA 0.223 4.322 4.120 -0.035 0.000 0.282 300 V C -0.338 175.657 176.094 -0.166 0.000 1.039 300 V CA -0.386 61.786 62.300 -0.214 0.000 0.913 300 V CB 1.217 32.918 31.823 -0.203 0.000 0.983 300 V HN -0.096 nan 8.190 nan 0.000 0.460 301 F N 3.127 123.084 119.950 0.012 0.000 2.436 301 F HA 0.474 4.980 4.527 -0.034 0.000 0.340 301 F C 0.650 176.490 175.800 0.066 0.000 1.113 301 F CA -0.613 57.415 58.000 0.046 0.000 1.022 301 F CB 1.297 40.349 39.000 0.086 0.000 1.128 301 F HN 0.402 nan 8.300 nan 0.000 0.466 302 N N 2.862 121.658 118.700 0.160 0.000 2.425 302 N HA 0.427 5.147 4.740 -0.035 0.000 0.268 302 N C -1.228 174.384 175.510 0.169 0.000 0.991 302 N CA -0.241 52.886 53.050 0.128 0.000 0.931 302 N CB 2.025 40.540 38.487 0.047 0.000 1.130 302 N HN 0.345 nan 8.380 nan 0.000 0.493 303 V N -0.357 119.670 119.914 0.187 0.000 2.409 303 V HA 0.395 4.494 4.120 -0.035 0.000 0.291 303 V C 0.024 176.246 176.094 0.213 0.000 1.020 303 V CA -1.183 61.240 62.300 0.205 0.000 0.848 303 V CB 1.439 33.410 31.823 0.247 0.000 0.990 303 V HN 0.322 nan 8.190 nan 0.000 0.430 304 D N 4.009 124.505 120.400 0.160 0.000 2.478 304 D HA 0.362 4.982 4.640 -0.035 0.000 0.234 304 D C -0.280 176.173 176.300 0.254 0.000 1.154 304 D CA 1.176 55.251 54.000 0.125 0.000 0.874 304 D CB 0.479 41.323 40.800 0.073 0.000 1.198 304 D HN 0.900 nan 8.370 nan 0.000 0.455 305 Y N -2.115 118.194 120.300 0.015 0.000 2.871 305 Y HA 0.271 4.801 4.550 -0.034 0.000 0.331 305 Y C 0.365 176.263 175.900 -0.003 0.000 1.378 305 Y CA -0.987 57.116 58.100 0.005 0.000 1.079 305 Y CB 0.014 38.472 38.460 -0.003 0.000 1.441 305 Y HN 0.142 nan 8.280 nan 0.000 0.446 306 L N 0.959 122.222 121.223 0.067 0.000 1.990 306 L HA -0.101 4.218 4.340 -0.035 0.000 0.213 306 L C 2.110 178.858 176.870 -0.203 0.000 1.072 306 L CA 2.175 56.997 54.840 -0.030 0.000 0.755 306 L CB -0.700 41.406 42.059 0.079 0.000 0.889 306 L HN 1.054 nan 8.230 nan 0.000 0.432 307 G N -1.747 106.844 108.800 -0.349 0.000 3.124 307 G HA2 0.389 4.328 3.960 -0.035 0.000 0.212 307 G HA3 0.389 4.328 3.960 -0.035 0.000 0.212 307 G C 0.707 175.317 174.900 -0.482 0.000 1.181 307 G CA 0.555 45.471 45.100 -0.307 0.000 0.803 307 G HN 0.624 nan 8.290 nan 0.000 0.529 308 G N -0.442 107.959 108.800 -0.666 0.000 2.055 308 G HA2 0.169 4.108 3.960 -0.035 0.000 0.160 308 G HA3 0.169 4.108 3.960 -0.035 0.000 0.160 308 G C -0.657 173.938 174.900 -0.507 0.000 1.087 308 G CA 0.030 44.855 45.100 -0.458 0.000 1.269 308 G HN 1.210 nan 8.290 nan 0.000 0.461 309 Q N -0.326 119.286 119.800 -0.315 0.000 2.503 309 Q HA 0.662 4.981 4.340 -0.035 0.000 0.268 309 Q C -1.565 174.520 176.000 0.141 0.000 0.982 309 Q CA -1.008 54.775 55.803 -0.033 0.000 0.907 309 Q CB 1.648 30.389 28.738 0.006 0.000 1.467 309 Q HN 0.869 nan 8.270 nan 0.000 0.394 310 I N 0.820 121.559 120.570 0.282 0.000 2.693 310 I HA 0.684 4.833 4.170 -0.035 0.000 0.303 310 I C 0.337 176.528 176.117 0.124 0.000 1.025 310 I CA -1.297 60.104 61.300 0.169 0.000 1.086 310 I CB 2.120 40.200 38.000 0.132 0.000 1.268 310 I HN 0.815 nan 8.210 nan 0.000 0.440 311 G N 2.000 110.856 108.800 0.093 0.000 2.338 311 G HA2 0.564 4.503 3.960 -0.035 0.000 0.298 311 G HA3 0.564 4.503 3.960 -0.035 0.000 0.298 311 G C -0.345 174.633 174.900 0.130 0.000 1.140 311 G CA -0.215 44.947 45.100 0.104 0.000 0.860 311 G HN 0.690 nan 8.290 nan 0.000 0.470 312 T N -0.663 114.011 114.554 0.201 0.000 2.841 312 T HA 0.579 4.908 4.350 -0.035 0.000 0.283 312 T C -1.147 173.788 174.700 0.392 0.000 1.000 312 T CA -0.844 61.414 62.100 0.264 0.000 0.977 312 T CB 1.814 70.827 68.868 0.241 0.000 0.979 312 T HN 0.245 nan 8.240 nan 0.000 0.446 313 F N 3.077 123.141 119.950 0.190 0.000 2.308 313 F HA 0.749 5.255 4.527 -0.034 0.000 0.370 313 F C -0.296 175.653 175.800 0.249 0.000 1.100 313 F CA -1.858 56.248 58.000 0.177 0.000 1.108 313 F CB -0.049 38.982 39.000 0.053 0.000 1.293 313 F HN 1.052 nan 8.300 nan 0.000 0.478 314 A N 6.053 129.095 122.820 0.370 0.000 2.515 314 A HA 0.610 4.909 4.320 -0.035 0.000 0.298 314 A C 0.046 177.717 177.584 0.145 0.000 1.059 314 A CA -0.538 51.616 52.037 0.196 0.000 0.698 314 A CB 1.018 20.221 19.000 0.338 0.000 1.289 314 A HN 0.651 nan 8.150 nan 0.000 0.404 315 I N 0.684 121.288 120.570 0.058 0.000 2.400 315 I HA -0.045 4.104 4.170 -0.035 0.000 0.248 315 I C 1.005 177.181 176.117 0.099 0.000 1.109 315 I CA 0.446 61.799 61.300 0.089 0.000 1.425 315 I CB 0.004 38.056 38.000 0.087 0.000 1.094 315 I HN 0.617 nan 8.210 nan 0.000 0.425 316 N N -0.337 118.414 118.700 0.084 0.000 2.364 316 N HA 0.138 4.857 4.740 -0.035 0.000 0.264 316 N C 0.046 175.728 175.510 0.286 0.000 1.263 316 N CA 0.048 53.166 53.050 0.114 0.000 0.959 316 N CB 1.294 39.787 38.487 0.010 0.000 1.204 316 N HN -0.020 nan 8.380 nan 0.000 0.550 317 F N -0.226 119.775 119.950 0.086 0.000 1.981 317 F HA 0.283 4.789 4.527 -0.034 0.000 0.215 317 F C 0.486 176.393 175.800 0.178 0.000 1.260 317 F CA -0.155 57.929 58.000 0.140 0.000 1.284 317 F CB -0.238 38.805 39.000 0.071 0.000 1.898 317 F HN 0.182 nan 8.300 nan 0.000 0.175 318 S N 2.253 118.073 115.700 0.200 0.000 2.549 318 S HA 0.584 5.033 4.470 -0.035 0.000 0.279 318 S C -0.765 173.880 174.600 0.076 0.000 1.321 318 S CA -0.308 57.931 58.200 0.065 0.000 1.054 318 S CB 0.123 63.389 63.200 0.109 0.000 0.899 318 S HN 0.487 nan 8.310 nan 0.000 0.497 319 R N 1.657 122.188 120.500 0.052 0.000 2.828 319 R HA 0.383 4.702 4.340 -0.035 0.000 0.280 319 R C -3.612 172.685 176.300 -0.004 0.000 1.020 319 R CA -1.655 54.447 56.100 0.004 0.000 0.855 319 R CB 0.243 30.515 30.300 -0.046 0.000 1.278 319 R HN 0.280 nan 8.270 nan 0.000 0.495 320 P HA 0.136 nan 4.420 nan 0.000 0.278 320 P C -0.150 177.125 177.300 -0.042 0.000 1.238 320 P CA -0.274 62.785 63.100 -0.068 0.000 0.794 320 P CB 1.552 33.204 31.700 -0.080 0.000 0.955 321 A N 2.743 125.547 122.820 -0.027 0.000 2.251 321 A HA 0.160 4.459 4.320 -0.035 0.000 0.209 321 A C 2.158 179.748 177.584 0.010 0.000 1.187 321 A CA 1.091 53.159 52.037 0.052 0.000 0.823 321 A CB -1.269 17.764 19.000 0.055 0.000 0.846 321 A HN 0.611 nan 8.150 nan 0.000 0.486 322 G N -0.045 108.734 108.800 -0.035 0.000 2.440 322 G HA2 -0.259 3.681 3.960 -0.035 0.000 0.218 322 G HA3 -0.259 3.681 3.960 -0.035 0.000 0.218 322 G C 1.466 176.356 174.900 -0.018 0.000 1.154 322 G CA 1.194 46.275 45.100 -0.031 0.000 0.767 322 G HN 0.559 nan 8.290 nan 0.000 0.552 323 Q N -0.202 119.574 119.800 -0.039 0.000 2.119 323 Q HA 0.025 4.344 4.340 -0.035 0.000 0.201 323 Q C 2.783 178.791 176.000 0.013 0.000 0.972 323 Q CA 1.017 56.802 55.803 -0.031 0.000 0.847 323 Q CB -0.372 28.325 28.738 -0.068 0.000 0.903 323 Q HN 0.351 nan 8.270 nan 0.000 0.433 324 V N 0.440 120.367 119.914 0.023 0.000 2.295 324 V HA -0.254 3.845 4.120 -0.035 0.000 0.246 324 V C 2.007 178.205 176.094 0.175 0.000 1.049 324 V CA 1.593 63.975 62.300 0.136 0.000 1.024 324 V CB -0.433 31.502 31.823 0.186 0.000 0.648 324 V HN 0.362 nan 8.190 nan 0.000 0.447 325 I N 0.419 121.068 120.570 0.133 0.000 2.151 325 I HA -0.305 3.845 4.170 -0.035 0.000 0.243 325 I C 2.645 178.869 176.117 0.178 0.000 1.080 325 I CA 1.753 63.146 61.300 0.155 0.000 1.339 325 I CB -0.599 37.456 38.000 0.091 0.000 1.039 325 I HN 0.304 nan 8.210 nan 0.000 0.409 326 A N -0.049 122.835 122.820 0.106 0.000 1.902 326 A HA -0.298 4.001 4.320 -0.035 0.000 0.217 326 A C 2.228 179.894 177.584 0.136 0.000 1.181 326 A CA 1.988 54.098 52.037 0.122 0.000 0.623 326 A CB -0.669 18.361 19.000 0.050 0.000 0.818 326 A HN 0.454 nan 8.150 nan 0.000 0.443 327 Q N -1.348 118.481 119.800 0.050 0.000 2.096 327 Q HA -0.239 4.080 4.340 -0.035 0.000 0.204 327 Q C 1.840 177.630 176.000 -0.351 0.000 0.982 327 Q CA 2.408 58.118 55.803 -0.155 0.000 0.850 327 Q CB -0.627 28.082 28.738 -0.048 0.000 0.901 327 Q HN 0.718 nan 8.270 nan 0.000 0.422 328 Y N -0.350 119.838 120.300 -0.188 0.000 2.200 328 Y HA -0.242 4.286 4.550 -0.037 0.000 0.290 328 Y C 2.005 177.937 175.900 0.054 0.000 1.137 328 Y CA 1.713 59.758 58.100 -0.093 0.000 1.163 328 Y CB -0.803 37.694 38.460 0.061 0.000 0.988 328 Y HN 0.364 nan 8.280 nan 0.000 0.518 329 Y N 1.427 121.683 120.300 -0.072 0.000 2.114 329 Y HA -0.268 4.266 4.550 -0.026 0.000 0.282 329 Y C 2.132 177.985 175.900 -0.079 0.000 1.165 329 Y CA 2.381 60.427 58.100 -0.090 0.000 1.148 329 Y CB -0.437 38.022 38.460 -0.002 0.000 0.972 329 Y HN 0.180 nan 8.280 nan 0.000 0.504 330 E N -0.405 119.683 120.200 -0.187 0.000 2.072 330 E HA -0.154 4.175 4.350 -0.035 0.000 0.191 330 E C 2.150 178.797 176.600 0.078 0.000 0.985 330 E CA 1.053 57.333 56.400 -0.200 0.000 0.801 330 E CB -0.661 29.028 29.700 -0.019 0.000 0.750 330 E HN 0.453 nan 8.360 nan 0.000 0.452 331 F N 1.212 121.170 119.950 0.014 0.000 2.095 331 F HA -0.122 4.386 4.527 -0.032 0.000 0.298 331 F C 2.460 178.196 175.800 -0.106 0.000 1.104 331 F CA 0.546 58.568 58.000 0.036 0.000 1.232 331 F CB -1.151 37.837 39.000 -0.020 0.000 0.987 331 F HN -0.012 nan 8.300 nan 0.000 0.475 332 L N 0.145 121.299 121.223 -0.115 0.000 2.017 332 L HA -0.206 4.113 4.340 -0.035 0.000 0.208 332 L C 2.741 179.531 176.870 -0.133 0.000 1.073 332 L CA 1.715 56.437 54.840 -0.197 0.000 0.745 332 L CB -0.452 41.393 42.059 -0.357 0.000 0.894 332 L HN 0.169 nan 8.230 nan 0.000 0.432 333 R N -0.211 120.153 120.500 -0.227 0.000 2.153 333 R HA -0.071 4.248 4.340 -0.035 0.000 0.218 333 R C 1.907 178.118 176.300 -0.148 0.000 1.072 333 R CA 0.886 56.853 56.100 -0.221 0.000 0.990 333 R CB -0.208 29.843 30.300 -0.414 0.000 0.889 333 R HN 0.324 nan 8.270 nan 0.000 0.452 334 L N 0.519 121.671 121.223 -0.118 0.000 2.189 334 L HA 0.253 4.572 4.340 -0.035 0.000 0.199 334 L C 1.237 178.128 176.870 0.035 0.000 1.074 334 L CA 0.669 55.461 54.840 -0.081 0.000 0.783 334 L CB -0.726 41.198 42.059 -0.224 0.000 0.955 334 L HN 0.534 nan 8.230 nan 0.000 0.460 335 G N 0.301 109.177 108.800 0.126 0.000 2.806 335 G HA2 -0.323 3.616 3.960 -0.035 0.000 0.236 335 G HA3 -0.323 3.616 3.960 -0.035 0.000 0.236 335 G C 0.413 175.396 174.900 0.138 0.000 1.387 335 G CA 0.338 45.501 45.100 0.106 0.000 0.884 335 G HN 0.269 nan 8.290 nan 0.000 0.560 336 R N 0.322 120.904 120.500 0.136 0.000 2.073 336 R HA -0.029 4.290 4.340 -0.035 0.000 0.234 336 R C 2.619 179.002 176.300 0.138 0.000 1.134 336 R CA 1.762 57.999 56.100 0.228 0.000 0.952 336 R CB -0.383 30.079 30.300 0.271 0.000 0.850 336 R HN 0.799 nan 8.270 nan 0.000 0.433 337 E N 0.750 121.005 120.200 0.092 0.000 2.065 337 E HA -0.219 4.110 4.350 -0.035 0.000 0.201 337 E C 2.018 178.628 176.600 0.015 0.000 1.016 337 E CA 1.826 58.259 56.400 0.055 0.000 0.818 337 E CB -0.339 29.383 29.700 0.037 0.000 0.749 337 E HN 0.408 nan 8.360 nan 0.000 0.453 338 G N -0.661 108.130 108.800 -0.014 0.000 2.404 338 G HA2 -0.248 3.691 3.960 -0.035 0.000 0.215 338 G HA3 -0.248 3.691 3.960 -0.035 0.000 0.215 338 G C 1.218 176.014 174.900 -0.174 0.000 1.174 338 G CA 0.856 45.902 45.100 -0.090 0.000 0.780 338 G HN 0.322 nan 8.290 nan 0.000 0.537 339 Y N 1.453 121.569 120.300 -0.307 0.000 2.151 339 Y HA -0.165 4.364 4.550 -0.034 0.000 0.284 339 Y C 3.380 179.079 175.900 -0.334 0.000 1.166 339 Y CA 1.924 59.700 58.100 -0.541 0.000 1.163 339 Y CB -0.604 36.948 38.460 -1.514 0.000 0.974 339 Y HN 0.145 nan 8.280 nan 0.000 0.511 340 T N -0.310 114.226 114.554 -0.030 0.000 2.720 340 T HA -0.205 4.124 4.350 -0.035 0.000 0.268 340 T C 1.803 176.554 174.700 0.085 0.000 1.037 340 T CA 1.784 63.962 62.100 0.131 0.000 1.144 340 T CB -0.193 68.774 68.868 0.165 0.000 0.864 340 T HN 0.242 nan 8.240 nan 0.000 0.444 341 K N 0.477 120.888 120.400 0.018 0.000 2.001 341 K HA -0.017 4.282 4.320 -0.035 0.000 0.208 341 K C 2.318 178.910 176.600 -0.013 0.000 1.048 341 K CA 0.822 57.109 56.287 0.000 0.000 0.932 341 K CB -0.582 31.901 32.500 -0.028 0.000 0.715 341 K HN 0.081 nan 8.250 nan 0.000 0.437 342 V N 1.792 121.664 119.914 -0.070 0.000 2.282 342 V HA -0.305 3.794 4.120 -0.035 0.000 0.249 342 V C 2.342 178.449 176.094 0.021 0.000 1.057 342 V CA 1.771 64.021 62.300 -0.084 0.000 1.032 342 V CB -0.477 31.227 31.823 -0.198 0.000 0.645 342 V HN 0.376 nan 8.190 nan 0.000 0.447 343 Q N -0.379 119.484 119.800 0.105 0.000 2.123 343 Q HA -0.113 4.206 4.340 -0.035 0.000 0.199 343 Q C 2.047 178.210 176.000 0.272 0.000 0.966 343 Q CA 1.339 57.268 55.803 0.209 0.000 0.845 343 Q CB -0.750 28.193 28.738 0.342 0.000 0.907 343 Q HN 0.741 nan 8.270 nan 0.000 0.439 344 N N 0.875 119.718 118.700 0.239 0.000 2.149 344 N HA -0.167 4.552 4.740 -0.035 0.000 0.188 344 N C 1.767 177.376 175.510 0.164 0.000 1.019 344 N CA 1.027 54.211 53.050 0.224 0.000 0.857 344 N CB -0.042 38.518 38.487 0.121 0.000 0.997 344 N HN 0.253 nan 8.380 nan 0.000 0.426 345 A N 0.408 123.279 122.820 0.086 0.000 1.902 345 A HA -0.117 4.182 4.320 -0.035 0.000 0.217 345 A C 2.350 179.959 177.584 0.042 0.000 1.181 345 A CA 1.518 53.574 52.037 0.033 0.000 0.623 345 A CB -0.561 18.428 19.000 -0.019 0.000 0.818 345 A HN 0.189 nan 8.150 nan 0.000 0.443 346 S N -1.434 114.295 115.700 0.048 0.000 2.368 346 S HA -0.115 4.334 4.470 -0.035 0.000 0.224 346 S C 1.812 176.406 174.600 -0.011 0.000 1.029 346 S CA 1.357 59.571 58.200 0.024 0.000 0.988 346 S CB -0.553 62.675 63.200 0.046 0.000 0.838 346 S HN 0.635 nan 8.310 nan 0.000 0.462 347 Y N 2.507 122.836 120.300 0.049 0.000 2.165 347 Y HA -0.197 4.333 4.550 -0.034 0.000 0.286 347 Y C 2.660 178.572 175.900 0.021 0.000 1.155 347 Y CA 1.280 59.391 58.100 0.019 0.000 1.164 347 Y CB -0.616 37.845 38.460 0.001 0.000 0.978 347 Y HN 0.363 nan 8.280 nan 0.000 0.513 348 Q N -0.844 119.053 119.800 0.162 0.000 2.084 348 Q HA -0.157 4.162 4.340 -0.035 0.000 0.202 348 Q C 2.375 178.423 176.000 0.080 0.000 0.978 348 Q CA 1.861 57.717 55.803 0.088 0.000 0.844 348 Q CB -0.581 28.176 28.738 0.031 0.000 0.898 348 Q HN 0.338 nan 8.270 nan 0.000 0.426 349 V N 1.301 121.250 119.914 0.059 0.000 2.343 349 V HA -0.283 3.816 4.120 -0.035 0.000 0.247 349 V C 2.340 178.513 176.094 0.132 0.000 1.051 349 V CA 1.863 64.204 62.300 0.069 0.000 1.036 349 V CB -1.000 30.832 31.823 0.014 0.000 0.654 349 V HN 0.407 nan 8.190 nan 0.000 0.451 350 A N 0.014 122.901 122.820 0.112 0.000 1.877 350 A HA -0.117 4.182 4.320 -0.035 0.000 0.216 350 A C 2.439 180.062 177.584 0.065 0.000 1.186 350 A CA 2.127 54.220 52.037 0.093 0.000 0.620 350 A CB -0.871 18.162 19.000 0.056 0.000 0.822 350 A HN 0.568 nan 8.150 nan 0.000 0.443 351 A N -1.522 121.348 122.820 0.082 0.000 1.902 351 A HA -0.140 4.159 4.320 -0.035 0.000 0.217 351 A C 2.158 179.754 177.584 0.021 0.000 1.181 351 A CA 1.765 53.823 52.037 0.034 0.000 0.623 351 A CB -0.846 18.186 19.000 0.053 0.000 0.818 351 A HN 0.772 nan 8.150 nan 0.000 0.443 352 Y N 0.303 120.568 120.300 -0.059 0.000 2.224 352 Y HA -0.126 4.403 4.550 -0.035 0.000 0.289 352 Y C 1.886 177.722 175.900 -0.107 0.000 1.146 352 Y CA 1.717 59.769 58.100 -0.081 0.000 1.182 352 Y CB -0.281 38.137 38.460 -0.071 0.000 0.983 352 Y HN 0.218 nan 8.280 nan 0.000 0.524 353 L N -0.593 120.548 121.223 -0.136 0.000 2.072 353 L HA -0.134 4.185 4.340 -0.035 0.000 0.205 353 L C 2.803 179.496 176.870 -0.294 0.000 1.079 353 L CA 1.004 55.695 54.840 -0.249 0.000 0.752 353 L CB -0.964 41.062 42.059 -0.055 0.000 0.906 353 L HN 0.295 nan 8.230 nan 0.000 0.436 354 A N 0.162 122.843 122.820 -0.231 0.000 1.892 354 A HA -0.293 4.006 4.320 -0.035 0.000 0.218 354 A C 1.897 179.168 177.584 -0.522 0.000 1.188 354 A CA 2.378 54.179 52.037 -0.393 0.000 0.631 354 A CB -0.663 18.102 19.000 -0.391 0.000 0.822 354 A HN 0.374 nan 8.150 nan 0.000 0.447 355 D N -0.581 119.586 120.400 -0.389 0.000 2.117 355 D HA -0.093 4.526 4.640 -0.035 0.000 0.198 355 D C 2.042 178.147 176.300 -0.325 0.000 0.982 355 D CA 1.242 55.041 54.000 -0.335 0.000 0.828 355 D CB -0.208 40.456 40.800 -0.227 0.000 0.967 355 D HN 0.440 nan 8.370 nan 0.000 0.464 356 E N 0.279 120.221 120.200 -0.431 0.000 2.076 356 E HA -0.018 4.311 4.350 -0.035 0.000 0.190 356 E C 2.502 178.916 176.600 -0.311 0.000 0.979 356 E CA 0.146 56.306 56.400 -0.401 0.000 0.807 356 E CB -0.176 29.170 29.700 -0.590 0.000 0.761 356 E HN 0.365 nan 8.360 nan 0.000 0.454 357 I N 1.373 121.718 120.570 -0.374 0.000 2.264 357 I HA -0.266 3.883 4.170 -0.035 0.000 0.248 357 I C 2.375 178.482 176.117 -0.015 0.000 1.111 357 I CA 1.075 62.139 61.300 -0.392 0.000 1.382 357 I CB -0.334 37.282 38.000 -0.640 0.000 1.060 357 I HN -0.009 nan 8.210 nan 0.000 0.418 358 A N 0.612 123.493 122.820 0.102 0.000 2.076 358 A HA -0.220 4.079 4.320 -0.035 0.000 0.220 358 A C 2.200 179.857 177.584 0.122 0.000 1.160 358 A CA 1.519 53.732 52.037 0.293 0.000 0.653 358 A CB -0.432 18.612 19.000 0.074 0.000 0.801 358 A HN 0.387 nan 8.150 nan 0.000 0.455 359 K N -0.563 119.846 120.400 0.014 0.000 2.366 359 K HA 0.155 4.454 4.320 -0.035 0.000 0.198 359 K C 1.204 177.815 176.600 0.018 0.000 1.044 359 K CA 0.631 56.913 56.287 -0.007 0.000 0.973 359 K CB -0.105 32.367 32.500 -0.046 0.000 0.767 359 K HN 0.500 nan 8.250 nan 0.000 0.475 360 L N -0.537 120.734 121.223 0.081 0.000 2.529 360 L HA 0.178 4.497 4.340 -0.035 0.000 0.223 360 L C 1.019 177.946 176.870 0.095 0.000 1.113 360 L CA -0.193 54.730 54.840 0.138 0.000 0.861 360 L CB 0.350 42.542 42.059 0.221 0.000 1.012 360 L HN 0.121 nan 8.230 nan 0.000 0.461 361 G N -0.402 108.283 108.800 -0.192 0.000 2.550 361 G HA2 0.351 4.290 3.960 -0.035 0.000 0.293 361 G HA3 0.351 4.290 3.960 -0.035 0.000 0.293 361 G C -2.972 171.373 174.900 -0.926 0.000 1.402 361 G CA -0.465 44.266 45.100 -0.615 0.000 0.784 361 G HN -0.327 nan 8.290 nan 0.000 0.482 362 P HA 0.345 nan 4.420 nan 0.000 0.247 362 P C -1.409 175.679 177.300 -0.354 0.000 1.756 362 P CA -0.078 62.783 63.100 -0.399 0.000 1.117 362 P CB -0.291 31.273 31.700 -0.227 0.000 1.869 363 Y N -0.098 120.201 120.300 -0.002 0.000 2.487 363 Y HA 0.522 5.052 4.550 -0.034 0.000 0.337 363 Y C 0.892 176.728 175.900 -0.106 0.000 1.076 363 Y CA -1.449 56.591 58.100 -0.101 0.000 1.115 363 Y CB 1.763 40.002 38.460 -0.368 0.000 1.235 363 Y HN 0.241 nan 8.280 nan 0.000 0.468 364 E N 1.990 122.208 120.200 0.030 0.000 2.216 364 E HA 0.389 4.718 4.350 -0.035 0.000 0.260 364 E C -1.857 174.721 176.600 -0.037 0.000 0.880 364 E CA -0.583 55.849 56.400 0.054 0.000 0.765 364 E CB 0.808 30.547 29.700 0.063 0.000 1.174 364 E HN 0.459 nan 8.360 nan 0.000 0.417 365 F N 4.341 124.375 119.950 0.140 0.000 2.410 365 F HA 0.283 4.789 4.527 -0.035 0.000 0.348 365 F C 1.232 177.101 175.800 0.116 0.000 1.106 365 F CA -0.325 57.757 58.000 0.136 0.000 1.163 365 F CB 0.767 39.810 39.000 0.072 0.000 1.129 365 F HN 0.547 nan 8.300 nan 0.000 0.516 366 I N 1.037 121.764 120.570 0.261 0.000 2.585 366 I HA -0.028 4.121 4.170 -0.035 0.000 0.254 366 I C 0.544 176.802 176.117 0.235 0.000 1.129 366 I CA 0.855 62.292 61.300 0.229 0.000 1.455 366 I CB 0.278 38.389 38.000 0.184 0.000 1.111 366 I HN 0.506 nan 8.210 nan 0.000 0.433 367 C N 0.207 119.654 119.300 0.244 0.000 2.783 367 C HA 0.535 4.974 4.460 -0.035 0.000 0.312 367 C C 0.669 175.760 174.990 0.167 0.000 1.182 367 C CA -0.147 58.967 59.018 0.161 0.000 1.432 367 C CB 1.071 28.877 27.740 0.110 0.000 1.933 367 C HN 0.483 nan 8.230 nan 0.000 0.473 368 T N -0.059 114.534 114.554 0.065 0.000 3.460 368 T HA 0.407 4.736 4.350 -0.035 0.000 0.304 368 T C 0.950 175.646 174.700 -0.005 0.000 0.991 368 T CA 0.713 62.804 62.100 -0.016 0.000 0.975 368 T CB -0.142 68.648 68.868 -0.130 0.000 1.196 368 T HN 2.338 nan 8.240 nan 0.000 0.490 369 G N 2.283 111.107 108.800 0.039 0.000 2.221 369 G HA2 -0.281 3.658 3.960 -0.035 0.000 0.265 369 G HA3 -0.281 3.658 3.960 -0.035 0.000 0.265 369 G C -0.046 174.960 174.900 0.176 0.000 1.041 369 G CA -0.276 44.896 45.100 0.119 0.000 0.807 369 G HN 0.737 nan 8.290 nan 0.000 0.502 370 R N 0.189 120.715 120.500 0.043 0.000 2.265 370 R HA 0.309 4.628 4.340 -0.035 0.000 0.314 370 R C -1.068 175.125 176.300 -0.178 0.000 1.053 370 R CA -1.456 54.613 56.100 -0.052 0.000 0.931 370 R CB 1.229 31.500 30.300 -0.048 0.000 1.024 370 R HN 0.097 nan 8.270 nan 0.000 0.457 371 P HA -0.166 nan 4.420 nan 0.000 0.223 371 P C 0.257 177.412 177.300 -0.241 0.000 1.151 371 P CA 1.159 63.779 63.100 -0.799 0.000 0.787 371 P CB 0.228 31.316 31.700 -1.020 0.000 0.788 372 D N -0.407 119.935 120.400 -0.097 0.000 2.355 372 D HA -0.091 4.528 4.640 -0.035 0.000 0.218 372 D C 1.413 177.849 176.300 0.227 0.000 1.004 372 D CA 0.654 54.704 54.000 0.083 0.000 0.880 372 D CB -0.376 40.448 40.800 0.039 0.000 0.911 372 D HN 0.238 nan 8.370 nan 0.000 0.528 373 E N -0.409 119.825 120.200 0.056 0.000 2.330 373 E HA 0.357 4.686 4.350 -0.035 0.000 0.200 373 E C 0.978 177.313 176.600 -0.441 0.000 0.922 373 E CA 0.384 56.815 56.400 0.053 0.000 0.935 373 E CB 1.098 30.801 29.700 0.006 0.000 0.917 373 E HN 0.330 nan 8.360 nan 0.000 0.491 374 G N 0.905 109.177 108.800 -0.879 0.000 2.474 374 G HA2 0.287 4.226 3.960 -0.035 0.000 0.234 374 G HA3 0.287 4.226 3.960 -0.035 0.000 0.234 374 G C -1.226 173.115 174.900 -0.931 0.000 1.204 374 G CA -0.497 43.690 45.100 -1.522 0.000 0.939 374 G HN 0.101 nan 8.290 nan 0.000 0.491 375 I N -1.588 118.647 120.570 -0.559 0.000 3.205 375 I HA 0.740 4.889 4.170 -0.035 0.000 0.310 375 I C -2.522 173.393 176.117 -0.337 0.000 1.089 375 I CA -2.840 58.219 61.300 -0.402 0.000 1.023 375 I CB 2.206 39.984 38.000 -0.371 0.000 1.269 375 I HN 0.110 nan 8.210 nan 0.000 0.512 376 P HA 0.301 nan 4.420 nan 0.000 0.249 376 P C -1.111 176.104 177.300 -0.141 0.000 1.737 376 P CA 0.147 62.944 63.100 -0.504 0.000 1.128 376 P CB 0.043 31.370 31.700 -0.622 0.000 1.942 377 A N 1.952 124.725 122.820 -0.078 0.000 2.539 377 A HA 0.698 4.997 4.320 -0.035 0.000 0.296 377 A C -1.106 176.499 177.584 0.034 0.000 1.073 377 A CA -0.638 51.383 52.037 -0.027 0.000 0.700 377 A CB 1.593 20.568 19.000 -0.042 0.000 1.296 377 A HN 0.104 nan 8.150 nan 0.000 0.405 378 V N 0.317 120.277 119.914 0.077 0.000 2.487 378 V HA 0.578 4.677 4.120 -0.035 0.000 0.298 378 V C -0.579 175.650 176.094 0.225 0.000 1.028 378 V CA -0.567 61.837 62.300 0.173 0.000 0.860 378 V CB 1.170 33.109 31.823 0.193 0.000 0.991 378 V HN 1.089 nan 8.190 nan 0.000 0.427 379 C N 7.791 127.260 119.300 0.282 0.000 2.397 379 C HA 0.922 5.361 4.460 -0.035 0.000 0.325 379 C C -0.846 174.277 174.990 0.223 0.000 1.201 379 C CA -0.687 58.434 59.018 0.172 0.000 1.377 379 C CB -0.073 27.734 27.740 0.112 0.000 2.038 379 C HN 0.866 nan 8.230 nan 0.000 0.457 380 F N 4.076 123.897 119.950 -0.215 0.000 2.662 380 F HA 0.834 5.340 4.527 -0.035 0.000 0.312 380 F C -1.022 174.579 175.800 -0.332 0.000 1.113 380 F CA -1.007 56.752 58.000 -0.401 0.000 0.951 380 F CB 1.128 39.562 39.000 -0.943 0.000 1.344 380 F HN 0.652 nan 8.300 nan 0.000 0.462 381 K N 1.597 121.900 120.400 -0.163 0.000 2.444 381 K HA 0.686 4.985 4.320 -0.035 0.000 0.252 381 K C -1.543 175.094 176.600 0.062 0.000 0.993 381 K CA -0.975 55.220 56.287 -0.153 0.000 0.847 381 K CB 2.386 34.816 32.500 -0.117 0.000 1.340 381 K HN 0.868 nan 8.250 nan 0.000 0.446 382 L N 2.617 123.884 121.223 0.074 0.000 2.462 382 L HA 0.110 4.429 4.340 -0.035 0.000 0.272 382 L C 0.278 177.177 176.870 0.048 0.000 1.166 382 L CA -0.225 54.692 54.840 0.128 0.000 0.880 382 L CB 0.186 42.283 42.059 0.063 0.000 1.142 382 L HN 0.604 nan 8.230 nan 0.000 0.473 383 K N 2.972 123.397 120.400 0.042 0.000 2.511 383 K HA -0.084 4.215 4.320 -0.035 0.000 0.277 383 K C -0.355 176.241 176.600 -0.006 0.000 1.025 383 K CA -0.118 56.176 56.287 0.010 0.000 1.112 383 K CB -0.007 32.488 32.500 -0.008 0.000 0.859 383 K HN 0.441 nan 8.250 nan 0.000 0.485 384 D N 1.885 122.283 120.400 -0.005 0.000 2.752 384 D HA -0.081 4.538 4.640 -0.035 0.000 0.225 384 D C 1.233 177.524 176.300 -0.016 0.000 1.104 384 D CA 1.595 55.589 54.000 -0.010 0.000 0.832 384 D CB 0.267 41.064 40.800 -0.006 0.000 1.161 384 D HN 0.799 nan 8.370 nan 0.000 0.505 385 G N 2.139 110.927 108.800 -0.019 0.000 2.249 385 G HA2 -0.321 3.618 3.960 -0.035 0.000 0.273 385 G HA3 -0.321 3.618 3.960 -0.035 0.000 0.273 385 G C 0.206 175.086 174.900 -0.033 0.000 1.036 385 G CA 0.650 45.736 45.100 -0.023 0.000 0.824 385 G HN 0.563 nan 8.290 nan 0.000 0.504 386 E N -0.150 120.023 120.200 -0.043 0.000 2.222 386 E HA 0.558 4.887 4.350 -0.035 0.000 0.267 386 E C -1.252 175.295 176.600 -0.090 0.000 0.884 386 E CA -0.896 55.465 56.400 -0.064 0.000 0.764 386 E CB 1.322 30.981 29.700 -0.069 0.000 1.169 386 E HN 0.063 nan 8.360 nan 0.000 0.413 387 D N 4.904 125.242 120.400 -0.104 0.000 2.375 387 D HA 0.270 4.889 4.640 -0.035 0.000 0.259 387 D C -1.900 174.294 176.300 -0.177 0.000 1.235 387 D CA -1.764 52.155 54.000 -0.135 0.000 0.924 387 D CB 1.313 42.060 40.800 -0.089 0.000 1.143 387 D HN 0.306 nan 8.370 nan 0.000 0.529 388 P HA 0.274 nan 4.420 nan 0.000 0.249 388 P C 0.753 177.860 177.300 -0.323 0.000 1.229 388 P CA 0.271 63.179 63.100 -0.319 0.000 0.788 388 P CB 0.558 31.993 31.700 -0.443 0.000 1.072 389 G N -0.341 108.269 108.800 -0.316 0.000 2.138 389 G HA2 -0.152 3.787 3.960 -0.035 0.000 0.193 389 G HA3 -0.152 3.787 3.960 -0.035 0.000 0.193 389 G C -0.277 174.627 174.900 0.006 0.000 0.998 389 G CA -0.077 44.956 45.100 -0.111 0.000 0.668 389 G HN 0.532 nan 8.290 nan 0.000 0.516 390 Y N -1.963 118.369 120.300 0.053 0.000 2.713 390 Y HA 0.779 5.309 4.550 -0.034 0.000 0.335 390 Y C -0.098 175.843 175.900 0.069 0.000 1.222 390 Y CA -1.056 57.082 58.100 0.064 0.000 1.061 390 Y CB 0.347 38.848 38.460 0.068 0.000 1.314 390 Y HN 0.708 nan 8.280 nan 0.000 0.453 391 T N -1.042 113.704 114.554 0.320 0.000 2.945 391 T HA 0.454 4.783 4.350 -0.035 0.000 0.286 391 T C 0.685 175.564 174.700 0.298 0.000 1.025 391 T CA -0.972 61.285 62.100 0.262 0.000 1.039 391 T CB 1.211 70.235 68.868 0.260 0.000 1.068 391 T HN 0.848 nan 8.240 nan 0.000 0.497 392 L N 0.040 121.333 121.223 0.117 0.000 2.261 392 L HA -0.105 4.214 4.340 -0.035 0.000 0.216 392 L C 2.175 178.975 176.870 -0.118 0.000 1.114 392 L CA 1.408 56.210 54.840 -0.064 0.000 0.777 392 L CB -0.840 41.040 42.059 -0.298 0.000 0.910 392 L HN 0.711 nan 8.230 nan 0.000 0.440 393 Y N 0.242 120.541 120.300 -0.000 0.000 2.200 393 Y HA -0.238 4.291 4.550 -0.035 0.000 0.290 393 Y C 2.533 178.440 175.900 0.013 0.000 1.137 393 Y CA 1.258 59.359 58.100 0.002 0.000 1.163 393 Y CB -0.448 38.020 38.460 0.014 0.000 0.988 393 Y HN 0.225 nan 8.280 nan 0.000 0.518 394 D N -0.175 120.353 120.400 0.214 0.000 2.097 394 D HA -0.163 4.456 4.640 -0.035 0.000 0.195 394 D C 2.202 178.521 176.300 0.031 0.000 0.989 394 D CA 1.076 55.158 54.000 0.137 0.000 0.827 394 D CB -0.554 40.358 40.800 0.188 0.000 0.966 394 D HN 0.219 nan 8.370 nan 0.000 0.456 395 L N 0.920 122.114 121.223 -0.049 0.000 2.046 395 L HA -0.131 4.188 4.340 -0.035 0.000 0.208 395 L C 2.327 179.111 176.870 -0.144 0.000 1.077 395 L CA 1.557 56.264 54.840 -0.221 0.000 0.747 395 L CB -0.944 40.896 42.059 -0.364 0.000 0.896 395 L HN -0.099 nan 8.230 nan 0.000 0.432 396 S N -1.122 114.534 115.700 -0.073 0.000 2.382 396 S HA -0.242 4.207 4.470 -0.035 0.000 0.228 396 S C 2.051 176.660 174.600 0.014 0.000 1.027 396 S CA 1.452 59.634 58.200 -0.029 0.000 0.991 396 S CB -0.329 62.865 63.200 -0.010 0.000 0.823 396 S HN 0.641 nan 8.310 nan 0.000 0.469 397 E N -0.089 120.129 120.200 0.029 0.000 2.072 397 E HA -0.158 4.172 4.350 -0.035 0.000 0.191 397 E C 2.180 178.778 176.600 -0.003 0.000 0.985 397 E CA 0.807 57.224 56.400 0.029 0.000 0.801 397 E CB -0.020 29.705 29.700 0.042 0.000 0.750 397 E HN 0.225 nan 8.360 nan 0.000 0.452 398 R N 0.381 120.862 120.500 -0.032 0.000 2.096 398 R HA -0.062 4.257 4.340 -0.035 0.000 0.235 398 R C 2.406 178.688 176.300 -0.030 0.000 1.127 398 R CA 0.775 56.837 56.100 -0.062 0.000 0.968 398 R CB -0.962 29.286 30.300 -0.086 0.000 0.861 398 R HN 0.309 nan 8.270 nan 0.000 0.440 399 L N 0.032 121.252 121.223 -0.005 0.000 2.201 399 L HA -0.063 4.256 4.340 -0.035 0.000 0.212 399 L C 2.516 179.489 176.870 0.171 0.000 1.105 399 L CA 1.041 55.946 54.840 0.107 0.000 0.775 399 L CB -0.258 41.841 42.059 0.068 0.000 0.913 399 L HN 0.115 nan 8.230 nan 0.000 0.440 400 R N -0.057 120.497 120.500 0.090 0.000 2.120 400 R HA -0.116 4.203 4.340 -0.035 0.000 0.234 400 R C 2.167 178.484 176.300 0.028 0.000 1.123 400 R CA 1.105 57.247 56.100 0.069 0.000 0.975 400 R CB -0.237 30.091 30.300 0.046 0.000 0.866 400 R HN 0.340 nan 8.270 nan 0.000 0.446 401 L N 0.038 121.264 121.223 0.005 0.000 2.376 401 L HA -0.091 4.228 4.340 -0.035 0.000 0.219 401 L C 1.767 178.625 176.870 -0.020 0.000 1.133 401 L CA 1.017 55.839 54.840 -0.031 0.000 0.816 401 L CB -0.051 41.961 42.059 -0.079 0.000 0.933 401 L HN 0.068 nan 8.230 nan 0.000 0.449 402 R N -0.360 120.161 120.500 0.036 0.000 2.359 402 R HA 0.208 4.527 4.340 -0.035 0.000 0.231 402 R C 1.145 177.376 176.300 -0.114 0.000 0.913 402 R CA 0.609 56.739 56.100 0.050 0.000 1.075 402 R CB 0.552 30.976 30.300 0.206 0.000 1.087 402 R HN 0.354 nan 8.270 nan 0.000 0.515 403 G N 0.468 109.192 108.800 -0.128 0.000 2.176 403 G HA2 -0.224 3.716 3.960 -0.035 0.000 0.232 403 G HA3 -0.224 3.716 3.960 -0.035 0.000 0.232 403 G C -0.454 174.263 174.900 -0.305 0.000 0.986 403 G CA -0.433 44.512 45.100 -0.259 0.000 0.643 403 G HN 0.274 nan 8.290 nan 0.000 0.522 404 W N 0.403 121.716 121.300 0.023 0.000 2.417 404 W HA 0.680 5.320 4.660 -0.033 0.000 0.317 404 W C 0.419 176.940 176.519 0.003 0.000 1.121 404 W CA -0.944 56.413 57.345 0.019 0.000 1.208 404 W CB 1.298 30.782 29.460 0.040 0.000 1.253 404 W HN 0.135 nan 8.180 nan 0.000 0.533 405 Q N 2.651 122.594 119.800 0.239 0.000 2.400 405 Q HA 0.459 4.778 4.340 -0.035 0.000 0.255 405 Q C -1.532 174.549 176.000 0.134 0.000 1.008 405 Q CA -0.269 55.623 55.803 0.149 0.000 0.841 405 Q CB 0.960 29.757 28.738 0.098 0.000 1.220 405 Q HN 0.382 nan 8.270 nan 0.000 0.474 406 V N 8.011 127.991 119.914 0.109 0.000 2.305 406 V HA 0.424 4.523 4.120 -0.035 0.000 0.275 406 V C -2.191 173.919 176.094 0.026 0.000 1.020 406 V CA -1.610 60.721 62.300 0.052 0.000 0.811 406 V CB 1.208 33.053 31.823 0.037 0.000 1.031 406 V HN 0.783 nan 8.190 nan 0.000 0.439 407 P HA 0.292 nan 4.420 nan 0.000 0.271 407 P C -0.514 176.766 177.300 -0.032 0.000 1.220 407 P CA 0.202 63.375 63.100 0.122 0.000 0.768 407 P CB 1.526 33.394 31.700 0.279 0.000 0.848 408 A N 4.366 127.131 122.820 -0.091 0.000 2.330 408 A HA 0.847 5.146 4.320 -0.035 0.000 0.327 408 A C -0.621 176.824 177.584 -0.232 0.000 1.155 408 A CA -0.503 51.279 52.037 -0.425 0.000 0.803 408 A CB 0.436 19.063 19.000 -0.622 0.000 1.208 408 A HN 0.559 nan 8.150 nan 0.000 0.477 409 F N -0.889 118.892 119.950 -0.282 0.000 2.713 409 F HA 0.723 5.229 4.527 -0.035 0.000 0.311 409 F C -0.021 175.708 175.800 -0.117 0.000 1.141 409 F CA -0.686 57.250 58.000 -0.107 0.000 0.939 409 F CB 0.906 39.878 39.000 -0.046 0.000 1.325 409 F HN 0.518 nan 8.300 nan 0.000 0.453 410 T N 0.542 115.224 114.554 0.214 0.000 2.909 410 T HA 0.644 4.974 4.350 -0.035 0.000 0.289 410 T C 0.006 174.768 174.700 0.104 0.000 1.005 410 T CA -0.773 61.381 62.100 0.090 0.000 1.084 410 T CB 1.139 70.067 68.868 0.099 0.000 0.975 410 T HN 0.737 nan 8.240 nan 0.000 0.509 411 L N 1.488 122.715 121.223 0.007 0.000 2.476 411 L HA 0.509 4.828 4.340 -0.035 0.000 0.255 411 L C 1.462 178.283 176.870 -0.082 0.000 1.218 411 L CA -0.556 54.261 54.840 -0.038 0.000 0.819 411 L CB 0.034 42.054 42.059 -0.066 0.000 1.119 411 L HN 0.969 nan 8.230 nan 0.000 0.485 412 G N -1.137 107.577 108.800 -0.143 0.000 2.531 412 G HA2 0.496 4.435 3.960 -0.035 0.000 0.281 412 G HA3 0.496 4.435 3.960 -0.035 0.000 0.281 412 G C 0.464 175.316 174.900 -0.080 0.000 1.382 412 G CA -0.010 45.016 45.100 -0.124 0.000 1.045 412 G HN 0.960 nan 8.290 nan 0.000 0.533 413 G N -0.085 108.681 108.800 -0.055 0.000 2.690 413 G HA2 -0.366 3.573 3.960 -0.035 0.000 0.334 413 G HA3 -0.366 3.573 3.960 -0.035 0.000 0.334 413 G C 1.055 175.936 174.900 -0.031 0.000 1.250 413 G CA 1.103 46.183 45.100 -0.035 0.000 0.994 413 G HN 0.701 nan 8.290 nan 0.000 0.549 414 E N 1.212 121.392 120.200 -0.033 0.000 2.481 414 E HA 0.396 4.725 4.350 -0.035 0.000 0.195 414 E C 1.837 178.416 176.600 -0.034 0.000 1.047 414 E CA 0.481 56.864 56.400 -0.028 0.000 0.867 414 E CB 0.137 29.823 29.700 -0.024 0.000 0.858 414 E HN 0.668 nan 8.360 nan 0.000 0.513 415 A N 0.786 123.577 122.820 -0.048 0.000 3.003 415 A HA 0.122 4.421 4.320 -0.035 0.000 0.301 415 A C 1.300 178.858 177.584 -0.043 0.000 1.280 415 A CA -0.225 51.782 52.037 -0.050 0.000 0.973 415 A CB -0.135 18.822 19.000 -0.071 0.000 1.110 415 A HN -0.004 nan 8.150 nan 0.000 0.590 416 T N -0.528 114.007 114.554 -0.031 0.000 3.051 416 T HA -0.084 4.246 4.350 -0.035 0.000 0.269 416 T C 1.306 176.003 174.700 -0.005 0.000 1.127 416 T CA 1.754 63.843 62.100 -0.018 0.000 1.107 416 T CB -0.300 68.560 68.868 -0.013 0.000 0.898 416 T HN 0.498 nan 8.240 nan 0.000 0.517 417 D N 0.343 120.736 120.400 -0.012 0.000 2.213 417 D HA 0.157 4.776 4.640 -0.035 0.000 0.205 417 D C 0.582 176.876 176.300 -0.011 0.000 0.961 417 D CA 0.287 54.284 54.000 -0.006 0.000 0.853 417 D CB 0.095 40.888 40.800 -0.011 0.000 0.967 417 D HN 0.406 nan 8.370 nan 0.000 0.496 418 I N 1.510 122.060 120.570 -0.032 0.000 2.396 418 I HA 0.053 4.202 4.170 -0.035 0.000 0.289 418 I C -0.114 175.951 176.117 -0.087 0.000 1.056 418 I CA -0.386 60.878 61.300 -0.059 0.000 1.365 418 I CB 1.480 39.437 38.000 -0.072 0.000 1.407 418 I HN -0.346 nan 8.210 nan 0.000 0.509 419 V N 7.592 127.434 119.914 -0.120 0.000 2.407 419 V HA 0.312 4.411 4.120 -0.035 0.000 0.278 419 V C 0.204 176.074 176.094 -0.375 0.000 1.037 419 V CA -0.553 61.602 62.300 -0.242 0.000 0.900 419 V CB 1.633 33.298 31.823 -0.264 0.000 0.983 419 V HN 0.566 nan 8.190 nan 0.000 0.459 420 V N 3.219 122.803 119.914 -0.550 0.000 2.769 420 V HA 0.731 4.830 4.120 -0.035 0.000 0.312 420 V C -0.407 175.142 176.094 -0.908 0.000 1.058 420 V CA -0.972 60.924 62.300 -0.674 0.000 0.952 420 V CB 1.927 33.423 31.823 -0.546 0.000 1.019 420 V HN 0.862 nan 8.190 nan 0.000 0.445 421 M N 3.943 122.956 119.600 -0.978 0.000 2.205 421 M HA 0.588 5.047 4.480 -0.035 0.000 0.344 421 M C -0.498 175.402 176.300 -0.667 0.000 1.085 421 M CA -0.519 54.233 55.300 -0.914 0.000 1.001 421 M CB 1.014 32.923 32.600 -1.151 0.000 1.626 421 M HN 0.940 nan 8.290 nan 0.000 0.442 422 R N 5.741 126.026 120.500 -0.357 0.000 2.513 422 R HA 0.623 4.942 4.340 -0.035 0.000 0.301 422 R C -2.006 174.273 176.300 -0.035 0.000 0.968 422 R CA -0.471 55.564 56.100 -0.108 0.000 0.872 422 R CB 1.238 31.564 30.300 0.043 0.000 1.177 422 R HN 0.830 nan 8.270 nan 0.000 0.444 423 I N 4.897 125.468 120.570 0.002 0.000 2.406 423 I HA 0.321 4.470 4.170 -0.035 0.000 0.290 423 I C -0.122 175.952 176.117 -0.071 0.000 0.999 423 I CA -0.760 60.524 61.300 -0.027 0.000 1.124 423 I CB 1.942 39.963 38.000 0.036 0.000 1.289 423 I HN 0.422 nan 8.210 nan 0.000 0.441 424 M N 5.303 124.804 119.600 -0.164 0.000 2.238 424 M HA 0.321 4.781 4.480 -0.035 0.000 0.350 424 M C -1.099 175.119 176.300 -0.137 0.000 1.138 424 M CA -0.349 54.827 55.300 -0.206 0.000 1.040 424 M CB 1.287 33.641 32.600 -0.410 0.000 1.639 424 M HN 0.554 nan 8.290 nan 0.000 0.451 425 C N 5.500 124.804 119.300 0.006 0.000 2.258 425 C HA 0.569 5.008 4.460 -0.035 0.000 0.321 425 C C 0.496 175.573 174.990 0.146 0.000 1.168 425 C CA -0.887 58.221 59.018 0.150 0.000 1.531 425 C CB -0.256 27.612 27.740 0.214 0.000 2.095 425 C HN 0.852 nan 8.230 nan 0.000 0.449 426 R N 1.728 122.264 120.500 0.061 0.000 2.893 426 R HA 0.671 4.990 4.340 -0.035 0.000 0.245 426 R C -0.074 176.234 176.300 0.014 0.000 1.192 426 R CA -0.934 55.145 56.100 -0.034 0.000 1.077 426 R CB 0.975 31.131 30.300 -0.241 0.000 1.253 426 R HN 0.609 nan 8.270 nan 0.000 0.505 427 R N -0.250 120.219 120.500 -0.052 0.000 2.537 427 R HA 0.079 4.398 4.340 -0.035 0.000 0.281 427 R C 0.428 176.633 176.300 -0.158 0.000 0.988 427 R CA 1.925 57.952 56.100 -0.122 0.000 1.077 427 R CB -0.148 30.059 30.300 -0.156 0.000 0.932 427 R HN 0.952 nan 8.270 nan 0.000 0.409 428 G N 3.688 112.309 108.800 -0.299 0.000 2.308 428 G HA2 -0.291 3.648 3.960 -0.035 0.000 0.221 428 G HA3 -0.291 3.648 3.960 -0.035 0.000 0.221 428 G C -0.141 174.691 174.900 -0.114 0.000 1.032 428 G CA 0.041 44.977 45.100 -0.272 0.000 0.623 428 G HN 0.589 nan 8.290 nan 0.000 0.506 429 F N 4.350 124.203 119.950 -0.160 0.000 2.567 429 F HA 0.591 5.096 4.527 -0.036 0.000 0.352 429 F C 0.478 176.320 175.800 0.070 0.000 1.229 429 F CA -1.238 56.721 58.000 -0.068 0.000 1.228 429 F CB 0.065 39.063 39.000 -0.003 0.000 1.568 429 F HN 0.069 nan 8.300 nan 0.000 0.634 430 E N 3.193 123.397 120.200 0.007 0.000 2.322 430 E HA 0.075 4.404 4.350 -0.035 0.000 0.257 430 E C 1.190 177.719 176.600 -0.119 0.000 1.155 430 E CA -0.484 55.919 56.400 0.005 0.000 0.936 430 E CB 0.721 30.503 29.700 0.137 0.000 1.130 430 E HN 0.554 nan 8.360 nan 0.000 0.465 431 M N 1.216 120.732 119.600 -0.140 0.000 2.106 431 M HA -0.182 4.277 4.480 -0.035 0.000 0.259 431 M C 0.988 177.167 176.300 -0.202 0.000 1.068 431 M CA 1.708 56.882 55.300 -0.210 0.000 1.100 431 M CB -0.386 32.077 32.600 -0.228 0.000 1.351 431 M HN 0.358 nan 8.290 nan 0.000 0.404 432 D N -0.793 119.491 120.400 -0.194 0.000 2.149 432 D HA -0.166 4.453 4.640 -0.035 0.000 0.198 432 D C 1.872 177.995 176.300 -0.295 0.000 0.990 432 D CA 1.527 55.364 54.000 -0.273 0.000 0.839 432 D CB -0.418 40.158 40.800 -0.373 0.000 0.948 432 D HN 0.422 nan 8.370 nan 0.000 0.460 433 F N 1.254 121.137 119.950 -0.113 0.000 2.259 433 F HA 0.018 4.524 4.527 -0.035 0.000 0.298 433 F C 2.512 178.248 175.800 -0.106 0.000 1.088 433 F CA 0.628 58.641 58.000 0.022 0.000 1.358 433 F CB -0.529 38.558 39.000 0.144 0.000 1.040 433 F HN -0.094 nan 8.300 nan 0.000 0.505 434 A N -0.061 122.572 122.820 -0.310 0.000 1.902 434 A HA -0.161 4.138 4.320 -0.035 0.000 0.217 434 A C 2.245 179.837 177.584 0.014 0.000 1.181 434 A CA 1.532 53.446 52.037 -0.205 0.000 0.623 434 A CB -0.509 18.386 19.000 -0.175 0.000 0.818 434 A HN 0.209 nan 8.150 nan 0.000 0.443 435 E N -0.456 119.761 120.200 0.027 0.000 2.051 435 E HA -0.182 4.147 4.350 -0.035 0.000 0.192 435 E C 1.995 178.637 176.600 0.068 0.000 0.991 435 E CA 1.276 57.717 56.400 0.068 0.000 0.799 435 E CB -0.524 29.185 29.700 0.015 0.000 0.748 435 E HN 0.513 nan 8.360 nan 0.000 0.449 436 L N 1.129 122.413 121.223 0.102 0.000 2.046 436 L HA -0.130 4.189 4.340 -0.035 0.000 0.208 436 L C 2.299 179.305 176.870 0.226 0.000 1.077 436 L CA 1.336 56.305 54.840 0.215 0.000 0.747 436 L CB -0.574 41.680 42.059 0.324 0.000 0.896 436 L HN 0.149 nan 8.230 nan 0.000 0.432 437 L N -1.055 120.185 121.223 0.028 0.000 2.012 437 L HA -0.251 4.068 4.340 -0.035 0.000 0.210 437 L C 2.505 179.297 176.870 -0.131 0.000 1.073 437 L CA 1.958 56.536 54.840 -0.436 0.000 0.748 437 L CB -0.380 41.277 42.059 -0.671 0.000 0.891 437 L HN 0.373 nan 8.230 nan 0.000 0.431 438 L N -0.203 120.990 121.223 -0.049 0.000 2.012 438 L HA -0.276 4.044 4.340 -0.035 0.000 0.210 438 L C 2.521 179.432 176.870 0.068 0.000 1.073 438 L CA 1.528 56.357 54.840 -0.018 0.000 0.748 438 L CB -0.536 41.485 42.059 -0.062 0.000 0.891 438 L HN 0.314 nan 8.230 nan 0.000 0.431 439 E N 0.026 120.273 120.200 0.077 0.000 2.049 439 E HA -0.265 4.064 4.350 -0.035 0.000 0.198 439 E C 1.805 178.480 176.600 0.126 0.000 1.007 439 E CA 1.704 58.163 56.400 0.099 0.000 0.809 439 E CB -0.058 29.704 29.700 0.102 0.000 0.749 439 E HN 0.461 nan 8.360 nan 0.000 0.450 440 D N -0.595 119.896 120.400 0.151 0.000 2.178 440 D HA -0.142 4.477 4.640 -0.035 0.000 0.202 440 D C 1.617 177.986 176.300 0.116 0.000 0.974 440 D CA 0.722 54.821 54.000 0.166 0.000 0.841 440 D CB -0.253 40.723 40.800 0.293 0.000 0.953 440 D HN 0.196 nan 8.370 nan 0.000 0.478 441 Y N 1.873 122.153 120.300 -0.033 0.000 2.089 441 Y HA -0.214 4.315 4.550 -0.035 0.000 0.282 441 Y C 2.160 178.055 175.900 -0.007 0.000 1.139 441 Y CA 1.736 59.810 58.100 -0.044 0.000 1.123 441 Y CB 0.030 38.446 38.460 -0.073 0.000 0.980 441 Y HN -0.163 nan 8.280 nan 0.000 0.493 442 K N -0.307 120.251 120.400 0.264 0.000 2.103 442 K HA -0.193 4.106 4.320 -0.035 0.000 0.207 442 K C 2.251 178.918 176.600 0.113 0.000 1.048 442 K CA 1.213 57.603 56.287 0.172 0.000 0.930 442 K CB -0.396 32.181 32.500 0.127 0.000 0.716 442 K HN 0.392 nan 8.250 nan 0.000 0.444 443 A N 0.824 123.705 122.820 0.102 0.000 1.969 443 A HA -0.124 4.176 4.320 -0.035 0.000 0.218 443 A C 2.156 179.793 177.584 0.089 0.000 1.169 443 A CA 1.656 53.751 52.037 0.096 0.000 0.635 443 A CB -0.388 18.666 19.000 0.091 0.000 0.810 443 A HN 0.167 nan 8.150 nan 0.000 0.445 444 S N -0.087 115.626 115.700 0.022 0.000 2.368 444 S HA -0.048 4.401 4.470 -0.035 0.000 0.224 444 S C 1.796 176.372 174.600 -0.040 0.000 1.029 444 S CA 1.318 59.493 58.200 -0.041 0.000 0.988 444 S CB -0.399 62.688 63.200 -0.189 0.000 0.838 444 S HN 0.528 nan 8.310 nan 0.000 0.462 445 L N 1.276 122.464 121.223 -0.059 0.000 2.093 445 L HA -0.084 4.235 4.340 -0.035 0.000 0.208 445 L C 2.554 179.472 176.870 0.080 0.000 1.085 445 L CA 1.162 55.984 54.840 -0.030 0.000 0.755 445 L CB -0.441 41.651 42.059 0.054 0.000 0.904 445 L HN 0.267 nan 8.230 nan 0.000 0.435 446 K N -0.297 120.167 120.400 0.107 0.000 2.026 446 K HA -0.256 4.043 4.320 -0.035 0.000 0.208 446 K C 2.304 178.993 176.600 0.148 0.000 1.048 446 K CA 1.694 58.051 56.287 0.117 0.000 0.929 446 K CB -0.249 32.322 32.500 0.117 0.000 0.713 446 K HN 0.118 nan 8.250 nan 0.000 0.439 447 Y N 1.294 121.647 120.300 0.088 0.000 2.200 447 Y HA -0.169 4.361 4.550 -0.034 0.000 0.290 447 Y C 1.894 177.927 175.900 0.222 0.000 1.137 447 Y CA 1.469 59.676 58.100 0.180 0.000 1.163 447 Y CB -0.069 38.462 38.460 0.120 0.000 0.988 447 Y HN 0.014 nan 8.280 nan 0.000 0.518 448 L N -1.253 120.129 121.223 0.264 0.000 2.083 448 L HA -0.264 4.055 4.340 -0.035 0.000 0.209 448 L C 2.795 179.751 176.870 0.143 0.000 1.083 448 L CA 1.618 56.581 54.840 0.204 0.000 0.752 448 L CB -0.796 41.356 42.059 0.156 0.000 0.899 448 L HN 0.182 nan 8.230 nan 0.000 0.433 449 S N -0.173 115.594 115.700 0.111 0.000 2.353 449 S HA -0.219 4.230 4.470 -0.035 0.000 0.222 449 S C 1.595 176.158 174.600 -0.061 0.000 1.035 449 S CA 1.842 60.073 58.200 0.051 0.000 1.025 449 S CB -0.221 63.011 63.200 0.053 0.000 0.902 449 S HN 0.432 nan 8.310 nan 0.000 0.440 450 D N 0.157 120.457 120.400 -0.167 0.000 2.310 450 D HA 0.002 4.621 4.640 -0.035 0.000 0.212 450 D C -0.052 175.777 176.300 -0.786 0.000 0.965 450 D CA 0.919 54.642 54.000 -0.462 0.000 0.879 450 D CB -0.209 40.245 40.800 -0.578 0.000 0.921 450 D HN 0.605 nan 8.370 nan 0.000 0.510 451 H N -1.477 117.465 119.070 -0.213 0.000 2.448 451 H HA 0.254 4.789 4.556 -0.035 0.000 0.237 451 H C -1.887 173.411 175.328 -0.050 0.000 1.391 451 H CA -1.496 54.453 56.048 -0.164 0.000 1.477 451 H CB 1.340 30.940 29.762 -0.270 0.000 1.520 451 H HN -0.124 nan 8.280 nan 0.000 0.502 452 P HA -0.153 nan 4.420 nan 0.000 0.219 452 P C 0.974 178.313 177.300 0.065 0.000 1.146 452 P CA 1.183 64.314 63.100 0.051 0.000 0.808 452 P CB 0.363 32.073 31.700 0.016 0.000 0.779 453 K N -0.720 119.719 120.400 0.065 0.000 2.362 453 K HA -0.032 4.267 4.320 -0.035 0.000 0.200 453 K C 1.848 178.491 176.600 0.071 0.000 1.046 453 K CA 0.682 57.004 56.287 0.058 0.000 0.952 453 K CB -0.536 31.994 32.500 0.052 0.000 0.753 453 K HN 0.212 nan 8.250 nan 0.000 0.466 454 L N 1.190 122.472 121.223 0.099 0.000 2.131 454 L HA -0.165 4.154 4.340 -0.035 0.000 0.210 454 L C 1.413 178.345 176.870 0.104 0.000 1.092 454 L CA 0.586 55.490 54.840 0.107 0.000 0.759 454 L CB -0.351 41.796 42.059 0.146 0.000 0.903 454 L HN 0.319 nan 8.230 nan 0.000 0.435 455 Q N 0.505 120.369 119.800 0.107 0.000 2.262 455 Q HA 0.060 4.379 4.340 -0.035 0.000 0.298 455 Q C 0.956 177.001 176.000 0.074 0.000 1.083 455 Q CA 0.925 56.791 55.803 0.105 0.000 0.962 455 Q CB 0.204 28.991 28.738 0.082 0.000 1.104 455 Q HN 0.389 nan 8.270 nan 0.000 0.376 456 G N 3.750 112.599 108.800 0.082 0.000 2.157 456 G HA2 -0.250 3.689 3.960 -0.035 0.000 0.239 456 G HA3 -0.250 3.689 3.960 -0.035 0.000 0.239 456 G C 0.473 175.389 174.900 0.026 0.000 0.982 456 G CA 0.254 45.386 45.100 0.052 0.000 0.650 456 G HN 0.697 nan 8.290 nan 0.000 0.527 457 I N 0.882 121.475 120.570 0.038 0.000 2.333 457 I HA 0.229 4.378 4.170 -0.035 0.000 0.246 457 I C 1.967 178.078 176.117 -0.010 0.000 1.106 457 I CA 1.118 62.428 61.300 0.017 0.000 1.411 457 I CB -0.237 37.782 38.000 0.031 0.000 1.082 457 I HN 0.400 nan 8.210 nan 0.000 0.420 458 A N 1.761 124.585 122.820 0.006 0.000 2.331 458 A HA 0.395 4.695 4.320 -0.035 0.000 0.283 458 A C 0.341 177.811 177.584 -0.190 0.000 1.142 458 A CA -0.238 51.786 52.037 -0.023 0.000 0.812 458 A CB 0.242 19.283 19.000 0.068 0.000 1.074 458 A HN 0.487 nan 8.150 nan 0.000 0.497 459 Q N 1.248 120.873 119.800 -0.292 0.000 2.052 459 Q HA 0.217 4.536 4.340 -0.035 0.000 0.250 459 Q C -0.740 175.023 176.000 -0.396 0.000 0.851 459 Q CA -0.382 55.059 55.803 -0.603 0.000 1.029 459 Q CB -0.042 28.459 28.738 -0.395 0.000 1.274 459 Q HN 0.597 nan 8.270 nan 0.000 0.411 460 Q N 1.823 121.517 119.800 -0.178 0.000 2.348 460 Q HA 0.326 4.646 4.340 -0.035 0.000 0.265 460 Q C -0.917 175.201 176.000 0.196 0.000 0.998 460 Q CA -0.195 55.610 55.803 0.003 0.000 0.831 460 Q CB 1.033 29.791 28.738 0.032 0.000 1.251 460 Q HN 0.142 nan 8.270 nan 0.000 0.456 461 N N 1.855 120.709 118.700 0.257 0.000 2.356 461 N HA 0.019 4.739 4.740 -0.035 0.000 0.252 461 N C -0.645 175.023 175.510 0.263 0.000 1.241 461 N CA 0.393 53.654 53.050 0.352 0.000 0.861 461 N CB 0.606 39.259 38.487 0.277 0.000 1.075 461 N HN 0.521 nan 8.380 nan 0.000 0.461 462 S N 1.321 117.193 115.700 0.287 0.000 2.592 462 S HA 0.167 4.616 4.470 -0.035 0.000 0.271 462 S C 0.215 174.942 174.600 0.212 0.000 1.326 462 S CA -0.627 57.720 58.200 0.246 0.000 1.024 462 S CB 0.340 63.683 63.200 0.239 0.000 0.921 462 S HN 0.430 nan 8.310 nan 0.000 0.527 463 F N 3.480 123.467 119.950 0.062 0.000 2.590 463 F HA 0.060 4.566 4.527 -0.035 0.000 0.389 463 F C 1.446 177.216 175.800 -0.050 0.000 1.049 463 F CA 0.169 58.187 58.000 0.030 0.000 1.199 463 F CB 0.333 39.372 39.000 0.065 0.000 1.058 463 F HN 0.633 nan 8.300 nan 0.000 0.556 464 K N 4.302 124.269 120.400 -0.722 0.000 2.355 464 K HA 0.063 4.362 4.320 -0.035 0.000 0.198 464 K C 0.845 176.992 176.600 -0.755 0.000 1.039 464 K CA 0.201 55.991 56.287 -0.829 0.000 1.075 464 K CB -0.059 31.676 32.500 -1.275 0.000 0.870 464 K HN 0.644 nan 8.250 nan 0.000 0.540 465 H N 0.440 118.924 119.070 -0.976 0.000 2.525 465 H HA 0.148 4.682 4.556 -0.035 0.000 0.275 465 H C 0.260 175.339 175.328 -0.414 0.000 0.984 465 H CA 0.923 56.575 56.048 -0.659 0.000 1.264 465 H CB 1.008 30.405 29.762 -0.608 0.000 1.432 465 H HN 0.190 nan 8.280 nan 0.000 0.549 466 T N 0.000 114.451 114.554 -0.172 0.000 3.816 466 T HA 0.000 4.329 4.350 -0.035 0.000 0.228 466 T CA 0.000 62.154 62.100 0.090 0.000 1.349 466 T CB 0.000 68.939 68.868 0.118 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658