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 1jdu_1_C DATA FIRST_RESID 3 DATA SEQUENCE PVHILAKKGE VAERVLVVGD PGRARLLSTL LQNPKLTNEN RGFLVYTGKY DATA SEQUENCE NGETVSIATH GIGGPSIAIV LEELAMLGAN VFIRYGTTGA LVPYINLGEY DATA SEQUENCE IIVTGASYNQ GGLFYQYLRD NACVASTPDF ELTNKLVTSF SKRNLKYYVG DATA SEQUENCE NVFSSDAFYA EDEEFVKKWS SRGNIAVEME CATLFTLSKV KGWKSATVLV DATA SEQUENCE VSDNLAKGGI WITKEELEKS VMDGAKAVLD TLTS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.325 177.300 0.042 0.000 1.155 3 P CA 0.000 63.133 63.100 0.054 0.000 0.800 3 P CB 0.000 31.724 31.700 0.040 0.000 0.726 4 V N -2.006 117.939 119.914 0.051 0.000 3.590 4 V HA 0.104 4.224 4.120 0.000 0.000 0.265 4 V C 1.029 177.016 176.094 -0.178 0.000 1.239 4 V CA 1.087 63.343 62.300 -0.073 0.000 1.117 4 V CB -0.632 31.105 31.823 -0.144 0.000 0.818 4 V HN 0.500 nan 8.190 nan 0.000 0.451 5 H N 0.534 119.619 119.070 0.025 0.000 2.422 5 H HA 0.488 5.044 4.556 0.000 0.000 0.303 5 H C 0.742 176.115 175.328 0.074 0.000 1.033 5 H CA 0.416 56.504 56.048 0.067 0.000 1.335 5 H CB 0.364 30.151 29.762 0.042 0.000 1.458 5 H HN 0.313 nan 8.280 nan 0.000 0.556 6 I N 2.597 123.255 120.570 0.146 0.000 2.304 6 I HA 0.122 4.292 4.170 0.000 0.000 0.291 6 I C -0.594 175.551 176.117 0.048 0.000 1.018 6 I CA -0.143 61.205 61.300 0.080 0.000 1.260 6 I CB 1.288 39.299 38.000 0.018 0.000 1.390 6 I HN 0.093 nan 8.210 nan 0.000 0.475 7 L N 7.417 128.663 121.223 0.037 0.000 2.556 7 L HA 0.551 4.891 4.340 0.000 0.000 0.245 7 L C 0.335 177.208 176.870 0.005 0.000 1.174 7 L CA -0.229 54.621 54.840 0.017 0.000 1.117 7 L CB 0.096 42.161 42.059 0.011 0.000 1.409 7 L HN 0.608 nan 8.230 nan 0.000 0.411 8 A N 1.780 124.602 122.820 0.004 0.000 2.340 8 A HA 0.670 4.991 4.320 0.000 0.000 0.331 8 A C 0.010 177.594 177.584 -0.000 0.000 1.140 8 A CA -0.683 51.353 52.037 -0.003 0.000 0.801 8 A CB 1.350 20.347 19.000 -0.006 0.000 1.234 8 A HN 0.460 nan 8.150 nan 0.000 0.469 9 K N 0.454 120.853 120.400 -0.002 0.000 2.386 9 K HA 0.178 4.498 4.320 0.000 0.000 0.249 9 K C 0.210 176.810 176.600 0.001 0.000 1.055 9 K CA -0.432 55.855 56.287 0.000 0.000 0.930 9 K CB 0.323 32.823 32.500 -0.000 0.000 1.230 9 K HN 0.677 nan 8.250 nan 0.000 0.507 10 K N 0.422 120.824 120.400 0.002 0.000 2.436 10 K HA -0.030 4.290 4.320 0.000 0.000 0.282 10 K C 0.293 176.894 176.600 0.001 0.000 1.044 10 K CA 0.931 57.220 56.287 0.003 0.000 1.028 10 K CB -0.129 32.374 32.500 0.004 0.000 0.919 10 K HN 0.739 nan 8.250 nan 0.000 0.474 11 G N 3.501 112.301 108.800 0.000 0.000 2.176 11 G HA2 -0.261 3.699 3.960 0.000 0.000 0.252 11 G HA3 -0.261 3.699 3.960 0.000 0.000 0.252 11 G C 0.365 175.264 174.900 -0.002 0.000 1.024 11 G CA 0.615 45.714 45.100 -0.002 0.000 0.755 11 G HN 0.848 nan 8.290 nan 0.000 0.507 12 E N -1.220 118.978 120.200 -0.002 0.000 2.276 12 E HA 0.161 4.511 4.350 0.000 0.000 0.193 12 E C 0.972 177.571 176.600 -0.002 0.000 0.983 12 E CA 0.414 56.813 56.400 -0.002 0.000 0.861 12 E CB 0.567 30.264 29.700 -0.004 0.000 0.817 12 E HN 0.390 nan 8.360 nan 0.000 0.485 13 V N 1.918 121.828 119.914 -0.007 0.000 2.509 13 V HA 0.342 4.463 4.120 0.000 0.000 0.284 13 V C 0.207 176.286 176.094 -0.024 0.000 1.047 13 V CA -0.556 61.737 62.300 -0.011 0.000 0.952 13 V CB 1.264 33.080 31.823 -0.013 0.000 0.988 13 V HN 0.132 nan 8.190 nan 0.000 0.469 14 A N 3.271 126.074 122.820 -0.029 0.000 2.286 14 A HA 0.424 4.744 4.320 0.000 0.000 0.286 14 A C 1.043 178.571 177.584 -0.094 0.000 1.097 14 A CA -0.341 51.669 52.037 -0.046 0.000 0.821 14 A CB 0.277 19.258 19.000 -0.032 0.000 1.076 14 A HN 0.936 nan 8.150 nan 0.000 0.490 15 E N 0.145 120.286 120.200 -0.097 0.000 2.085 15 E HA -0.159 4.191 4.350 0.000 0.000 0.194 15 E C 0.028 176.495 176.600 -0.222 0.000 0.994 15 E CA 1.068 57.380 56.400 -0.146 0.000 0.801 15 E CB -0.017 29.623 29.700 -0.099 0.000 0.743 15 E HN 0.520 nan 8.360 nan 0.000 0.453 16 R N 0.154 120.556 120.500 -0.163 0.000 2.349 16 R HA 0.344 4.684 4.340 0.000 0.000 0.299 16 R C -0.952 175.254 176.300 -0.157 0.000 1.027 16 R CA -0.210 55.785 56.100 -0.176 0.000 0.958 16 R CB 1.585 31.821 30.300 -0.107 0.000 1.047 16 R HN -0.166 nan 8.270 nan 0.000 0.468 17 V N 3.902 123.713 119.914 -0.172 0.000 2.733 17 V HA 0.321 4.442 4.120 0.000 0.000 0.306 17 V C -0.909 175.214 176.094 0.048 0.000 1.084 17 V CA -0.871 61.402 62.300 -0.045 0.000 0.905 17 V CB 2.136 33.967 31.823 0.012 0.000 1.010 17 V HN 0.611 nan 8.190 nan 0.000 0.424 18 L N 6.544 127.798 121.223 0.053 0.000 2.255 18 L HA 0.708 5.049 4.340 0.000 0.000 0.289 18 L C -0.311 176.642 176.870 0.139 0.000 1.046 18 L CA -0.488 54.399 54.840 0.078 0.000 0.816 18 L CB 1.187 43.254 42.059 0.014 0.000 1.197 18 L HN 0.680 nan 8.230 nan 0.000 0.427 19 V N 4.592 124.621 119.914 0.191 0.000 2.427 19 V HA 0.756 4.876 4.120 0.000 0.000 0.286 19 V C -0.164 176.075 176.094 0.242 0.000 1.034 19 V CA -0.461 61.971 62.300 0.220 0.000 0.893 19 V CB 1.322 33.290 31.823 0.242 0.000 0.982 19 V HN 0.571 nan 8.190 nan 0.000 0.452 20 V N 1.910 121.881 119.914 0.094 0.000 3.074 20 V HA 0.932 5.052 4.120 0.000 0.000 0.314 20 V C 0.929 176.660 176.094 -0.605 0.000 1.117 20 V CA 0.238 62.495 62.300 -0.071 0.000 1.014 20 V CB 1.542 33.365 31.823 -0.001 0.000 1.057 20 V HN 0.970 nan 8.190 nan 0.000 0.438 21 G N 0.175 108.573 108.800 -0.671 0.000 2.426 21 G HA2 0.003 3.963 3.960 0.000 0.000 0.214 21 G HA3 0.003 3.963 3.960 0.000 0.000 0.214 21 G C 0.388 175.111 174.900 -0.295 0.000 1.156 21 G CA 0.673 45.313 45.100 -0.767 0.000 0.802 21 G HN 0.805 nan 8.290 nan 0.000 0.534 22 D N 0.809 121.103 120.400 -0.178 0.000 2.317 22 D HA 0.188 4.828 4.640 0.000 0.000 0.252 22 D C -1.021 175.249 176.300 -0.050 0.000 1.174 22 D CA -2.265 51.678 54.000 -0.095 0.000 0.866 22 D CB 2.193 42.950 40.800 -0.071 0.000 1.127 22 D HN 0.047 nan 8.370 nan 0.000 0.467 23 P HA -0.065 nan 4.420 nan 0.000 0.220 23 P C 1.263 178.592 177.300 0.048 0.000 1.148 23 P CA 0.681 63.794 63.100 0.022 0.000 0.803 23 P CB 0.295 31.988 31.700 -0.012 0.000 0.782 24 G N 0.592 109.400 108.800 0.013 0.000 2.402 24 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 24 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 24 G C 1.918 176.825 174.900 0.012 0.000 1.162 24 G CA 0.449 45.559 45.100 0.016 0.000 0.777 24 G HN 0.236 nan 8.290 nan 0.000 0.539 25 R N 0.497 121.000 120.500 0.004 0.000 2.092 25 R HA 0.052 4.393 4.340 0.000 0.000 0.231 25 R C 2.832 179.142 176.300 0.017 0.000 1.119 25 R CA 1.330 57.434 56.100 0.007 0.000 0.970 25 R CB -0.327 29.970 30.300 -0.004 0.000 0.864 25 R HN 0.283 nan 8.270 nan 0.000 0.440 26 A N 1.052 123.898 122.820 0.043 0.000 1.902 26 A HA -0.206 4.114 4.320 0.000 0.000 0.217 26 A C 2.188 179.753 177.584 -0.033 0.000 1.181 26 A CA 1.534 53.620 52.037 0.083 0.000 0.623 26 A CB -0.550 18.561 19.000 0.186 0.000 0.818 26 A HN 0.388 nan 8.150 nan 0.000 0.443 27 R N -0.872 119.620 120.500 -0.013 0.000 2.066 27 R HA -0.093 4.247 4.340 0.000 0.000 0.232 27 R C 2.109 178.252 176.300 -0.261 0.000 1.131 27 R CA 1.552 57.499 56.100 -0.254 0.000 0.955 27 R CB -0.430 29.891 30.300 0.034 0.000 0.851 27 R HN 0.435 nan 8.270 nan 0.000 0.432 28 L N 1.231 122.391 121.223 -0.106 0.000 2.042 28 L HA -0.146 4.194 4.340 0.000 0.000 0.210 28 L C 1.850 178.672 176.870 -0.080 0.000 1.076 28 L CA 1.759 56.556 54.840 -0.071 0.000 0.749 28 L CB -0.361 41.686 42.059 -0.021 0.000 0.893 28 L HN 0.251 nan 8.230 nan 0.000 0.432 29 L N -0.533 120.647 121.223 -0.071 0.000 2.376 29 L HA -0.066 4.274 4.340 0.000 0.000 0.219 29 L C 2.461 179.268 176.870 -0.105 0.000 1.133 29 L CA 0.939 55.750 54.840 -0.048 0.000 0.816 29 L CB -0.713 41.352 42.059 0.009 0.000 0.933 29 L HN 0.499 nan 8.230 nan 0.000 0.449 30 S N -1.351 114.206 115.700 -0.238 0.000 2.507 30 S HA -0.133 4.337 4.470 0.000 0.000 0.235 30 S C 1.914 176.410 174.600 -0.172 0.000 0.988 30 S CA 1.084 59.107 58.200 -0.294 0.000 0.944 30 S CB -0.744 61.969 63.200 -0.811 0.000 0.762 30 S HN 0.561 nan 8.310 nan 0.000 0.526 31 T N -0.138 114.336 114.554 -0.133 0.000 3.118 31 T HA 0.245 4.595 4.350 0.000 0.000 0.260 31 T C 1.429 176.119 174.700 -0.016 0.000 1.139 31 T CA 0.238 62.298 62.100 -0.067 0.000 1.085 31 T CB -0.566 68.270 68.868 -0.055 0.000 0.934 31 T HN 0.433 nan 8.240 nan 0.000 0.518 32 L N 0.111 121.337 121.223 0.005 0.000 2.558 32 L HA 0.378 4.718 4.340 0.000 0.000 0.225 32 L C 0.786 177.737 176.870 0.134 0.000 1.128 32 L CA 0.044 54.927 54.840 0.072 0.000 0.868 32 L CB -0.257 41.858 42.059 0.094 0.000 1.006 32 L HN 0.284 nan 8.230 nan 0.000 0.454 33 L N -0.813 120.462 121.223 0.086 0.000 2.416 33 L HA 0.294 4.634 4.340 0.000 0.000 0.263 33 L C 0.023 176.925 176.870 0.053 0.000 1.065 33 L CA -0.610 54.296 54.840 0.110 0.000 0.798 33 L CB 0.643 42.751 42.059 0.081 0.000 1.267 33 L HN -0.002 nan 8.230 nan 0.000 0.467 34 Q N 0.994 120.821 119.800 0.046 0.000 2.290 34 Q HA 0.243 4.583 4.340 0.000 0.000 0.259 34 Q C -0.820 175.197 176.000 0.028 0.000 0.941 34 Q CA -0.572 55.243 55.803 0.020 0.000 0.912 34 Q CB 1.053 29.793 28.738 0.002 0.000 1.244 34 Q HN 0.432 nan 8.270 nan 0.000 0.441 35 N N 1.472 120.186 118.700 0.023 0.000 2.696 35 N HA -0.127 4.613 4.740 0.000 0.000 0.256 35 N C -2.660 172.879 175.510 0.049 0.000 1.031 35 N CA 0.299 53.367 53.050 0.030 0.000 0.730 35 N CB -1.055 37.446 38.487 0.025 0.000 0.894 35 N HN 0.429 nan 8.380 nan 0.000 0.544 36 P HA 0.071 nan 4.420 nan 0.000 0.271 36 P C 0.046 177.434 177.300 0.147 0.000 1.233 36 P CA 0.325 63.485 63.100 0.100 0.000 0.764 36 P CB 0.503 32.234 31.700 0.052 0.000 0.825 37 K N 3.081 123.577 120.400 0.160 0.000 2.345 37 K HA 0.479 4.799 4.320 0.000 0.000 0.255 37 K C -0.900 175.761 176.600 0.102 0.000 0.934 37 K CA -1.192 55.169 56.287 0.123 0.000 0.801 37 K CB 1.227 33.764 32.500 0.062 0.000 1.137 37 K HN 0.117 nan 8.250 nan 0.000 0.424 38 L N 4.212 125.452 121.223 0.028 0.000 2.485 38 L HA 0.071 4.412 4.340 0.000 0.000 0.279 38 L C 0.854 177.636 176.870 -0.147 0.000 1.124 38 L CA 0.742 55.452 54.840 -0.217 0.000 0.888 38 L CB 0.568 42.504 42.059 -0.206 0.000 1.217 38 L HN 0.971 nan 8.230 nan 0.000 0.464 39 T N 0.745 115.207 114.554 -0.155 0.000 3.107 39 T HA 0.264 4.614 4.350 0.000 0.000 0.249 39 T C 0.488 175.141 174.700 -0.078 0.000 1.096 39 T CA 0.120 62.171 62.100 -0.081 0.000 1.012 39 T CB -0.501 68.342 68.868 -0.042 0.000 0.977 39 T HN 0.611 nan 8.240 nan 0.000 0.527 40 N N 0.642 119.271 118.700 -0.119 0.000 3.217 40 N HA 0.142 4.883 4.740 0.000 0.000 0.236 40 N C -0.673 174.785 175.510 -0.086 0.000 1.136 40 N CA -0.458 52.550 53.050 -0.069 0.000 0.997 40 N CB 1.107 39.581 38.487 -0.022 0.000 1.658 40 N HN 0.293 nan 8.380 nan 0.000 0.527 41 E N 0.769 120.944 120.200 -0.043 0.000 2.753 41 E HA 0.154 4.504 4.350 0.000 0.000 0.218 41 E C -0.678 175.917 176.600 -0.010 0.000 0.956 41 E CA -0.517 55.858 56.400 -0.041 0.000 1.244 41 E CB -0.122 29.542 29.700 -0.059 0.000 1.114 41 E HN 0.434 nan 8.360 nan 0.000 0.530 42 N N 2.097 120.812 118.700 0.025 0.000 2.454 42 N HA -0.005 4.735 4.740 0.000 0.000 0.254 42 N C 0.037 175.585 175.510 0.063 0.000 1.228 42 N CA 0.414 53.488 53.050 0.039 0.000 0.900 42 N CB 0.332 38.853 38.487 0.058 0.000 1.089 42 N HN 0.213 nan 8.380 nan 0.000 0.449 43 R N 1.954 122.458 120.500 0.006 0.000 3.847 43 R HA -0.241 4.099 4.340 0.000 0.000 0.304 43 R C 0.921 177.032 176.300 -0.315 0.000 1.203 43 R CA 0.788 56.849 56.100 -0.065 0.000 0.835 43 R CB -2.125 28.241 30.300 0.111 0.000 1.253 43 R HN 1.006 nan 8.270 nan 0.000 0.516 44 G N -0.865 107.800 108.800 -0.225 0.000 2.179 44 G HA2 -0.344 3.616 3.960 0.000 0.000 0.260 44 G HA3 -0.344 3.616 3.960 0.000 0.000 0.260 44 G C 0.147 174.867 174.900 -0.301 0.000 0.977 44 G CA 0.292 45.220 45.100 -0.286 0.000 0.641 44 G HN 0.360 nan 8.290 nan 0.000 0.533 45 F N 2.075 122.018 119.950 -0.012 0.000 2.567 45 F HA 0.456 4.983 4.527 0.000 0.000 0.352 45 F C 1.365 177.140 175.800 -0.041 0.000 1.229 45 F CA -0.750 57.239 58.000 -0.018 0.000 1.228 45 F CB 0.216 39.215 39.000 -0.002 0.000 1.568 45 F HN -0.016 nan 8.300 nan 0.000 0.634 46 L N 3.181 124.456 121.223 0.086 0.000 2.499 46 L HA 0.177 4.517 4.340 0.000 0.000 0.273 46 L C -0.138 176.714 176.870 -0.031 0.000 1.195 46 L CA -0.237 54.585 54.840 -0.030 0.000 0.882 46 L CB 0.127 42.202 42.059 0.026 0.000 1.133 46 L HN 0.145 nan 8.230 nan 0.000 0.483 47 V N 3.927 123.721 119.914 -0.199 0.000 2.577 47 V HA 0.406 4.526 4.120 0.000 0.000 0.303 47 V C -0.850 175.088 176.094 -0.261 0.000 1.042 47 V CA -0.645 61.593 62.300 -0.103 0.000 0.872 47 V CB 1.652 33.453 31.823 -0.037 0.000 0.998 47 V HN 0.401 nan 8.190 nan 0.000 0.423 48 Y N 1.504 121.821 120.300 0.030 0.000 2.429 48 Y HA 0.729 5.279 4.550 0.000 0.000 0.342 48 Y C 0.555 176.466 175.900 0.018 0.000 1.004 48 Y CA -0.712 57.401 58.100 0.023 0.000 1.075 48 Y CB 2.483 40.957 38.460 0.023 0.000 1.214 48 Y HN 0.531 nan 8.280 nan 0.000 0.455 49 T N 1.760 116.413 114.554 0.164 0.000 2.848 49 T HA 0.765 5.115 4.350 0.000 0.000 0.285 49 T C -0.059 174.698 174.700 0.096 0.000 0.995 49 T CA -0.757 61.401 62.100 0.097 0.000 0.970 49 T CB 1.521 70.420 68.868 0.051 0.000 0.976 49 T HN 0.976 nan 8.240 nan 0.000 0.441 50 G N 1.958 110.805 108.800 0.078 0.000 2.731 50 G HA2 0.643 4.603 3.960 0.000 0.000 0.309 50 G HA3 0.643 4.603 3.960 0.000 0.000 0.309 50 G C -1.809 173.130 174.900 0.066 0.000 1.273 50 G CA -0.800 44.342 45.100 0.070 0.000 0.798 50 G HN 0.457 nan 8.290 nan 0.000 0.509 51 K N -0.488 119.953 120.400 0.068 0.000 2.203 51 K HA 0.563 4.883 4.320 0.000 0.000 0.251 51 K C -1.997 174.679 176.600 0.127 0.000 0.944 51 K CA -0.653 55.677 56.287 0.072 0.000 0.829 51 K CB 2.580 35.099 32.500 0.031 0.000 1.125 51 K HN 0.536 nan 8.250 nan 0.000 0.430 52 Y N 1.427 121.714 120.300 -0.022 0.000 2.362 52 Y HA 0.113 4.663 4.550 0.000 0.000 0.326 52 Y C -0.576 175.304 175.900 -0.033 0.000 1.083 52 Y CA -0.587 57.495 58.100 -0.031 0.000 1.073 52 Y CB 1.096 39.533 38.460 -0.037 0.000 1.211 52 Y HN 0.741 nan 8.280 nan 0.000 0.433 53 N N 3.789 122.275 118.700 -0.357 0.000 2.727 53 N HA -0.192 4.548 4.740 0.000 0.000 0.249 53 N C 0.825 176.290 175.510 -0.075 0.000 1.048 53 N CA 1.806 54.731 53.050 -0.209 0.000 0.714 53 N CB -1.137 37.274 38.487 -0.127 0.000 0.959 53 N HN 1.364 nan 8.380 nan 0.000 0.544 54 G N -1.582 107.181 108.800 -0.063 0.000 2.203 54 G HA2 -0.338 3.622 3.960 0.000 0.000 0.263 54 G HA3 -0.338 3.622 3.960 0.000 0.000 0.263 54 G C -0.101 174.799 174.900 -0.001 0.000 1.012 54 G CA 0.930 46.014 45.100 -0.028 0.000 0.749 54 G HN 0.593 nan 8.290 nan 0.000 0.512 55 E N -0.460 119.756 120.200 0.026 0.000 2.256 55 E HA 0.679 5.029 4.350 0.000 0.000 0.267 55 E C -0.011 176.618 176.600 0.047 0.000 0.892 55 E CA -0.384 56.037 56.400 0.035 0.000 0.775 55 E CB 1.176 30.903 29.700 0.045 0.000 1.207 55 E HN 0.049 nan 8.360 nan 0.000 0.420 56 T N 1.990 116.559 114.554 0.026 0.000 2.780 56 T HA 0.526 4.876 4.350 0.000 0.000 0.294 56 T C -0.467 174.240 174.700 0.012 0.000 0.949 56 T CA -0.453 61.661 62.100 0.023 0.000 1.074 56 T CB 0.203 69.077 68.868 0.009 0.000 0.910 56 T HN 0.357 nan 8.240 nan 0.000 0.501 57 V N 0.619 120.545 119.914 0.020 0.000 3.159 57 V HA 0.934 5.054 4.120 0.000 0.000 0.308 57 V C -0.632 175.470 176.094 0.014 0.000 1.190 57 V CA -0.873 61.426 62.300 -0.003 0.000 1.037 57 V CB 2.407 34.217 31.823 -0.022 0.000 1.060 57 V HN 0.720 nan 8.190 nan 0.000 0.437 58 S N 1.726 117.430 115.700 0.007 0.000 2.542 58 S HA 0.813 5.283 4.470 0.000 0.000 0.293 58 S C -0.764 173.871 174.600 0.059 0.000 1.089 58 S CA -0.563 57.662 58.200 0.043 0.000 0.961 58 S CB 1.542 64.761 63.200 0.031 0.000 1.062 58 S HN 0.751 nan 8.310 nan 0.000 0.483 59 I N 2.140 122.777 120.570 0.112 0.000 2.410 59 I HA 0.625 4.795 4.170 0.000 0.000 0.286 59 I C -0.203 176.014 176.117 0.167 0.000 1.009 59 I CA -0.559 60.818 61.300 0.128 0.000 1.111 59 I CB 1.475 39.548 38.000 0.122 0.000 1.262 59 I HN 0.670 nan 8.210 nan 0.000 0.443 60 A N 4.198 127.098 122.820 0.133 0.000 2.374 60 A HA 0.816 5.136 4.320 0.000 0.000 0.317 60 A C -0.290 177.356 177.584 0.104 0.000 1.094 60 A CA -0.521 51.585 52.037 0.116 0.000 0.765 60 A CB 1.418 20.466 19.000 0.080 0.000 1.268 60 A HN 0.573 nan 8.150 nan 0.000 0.438 61 T N 1.330 115.956 114.554 0.119 0.000 2.845 61 T HA 0.431 4.781 4.350 0.000 0.000 0.288 61 T C 0.557 175.357 174.700 0.167 0.000 0.980 61 T CA 0.321 62.484 62.100 0.105 0.000 1.071 61 T CB 0.445 69.420 68.868 0.178 0.000 0.941 61 T HN 0.852 nan 8.240 nan 0.000 0.487 62 H N 0.098 119.246 119.070 0.130 0.000 3.058 62 H HA 0.551 5.107 4.556 0.000 0.000 0.266 62 H C 0.965 176.397 175.328 0.174 0.000 1.135 62 H CA -0.196 55.860 56.048 0.013 0.000 1.174 62 H CB -0.203 29.495 29.762 -0.107 0.000 1.581 62 H HN 0.959 nan 8.280 nan 0.000 0.553 63 G N 0.797 109.749 108.800 0.252 0.000 2.645 63 G HA2 -0.249 3.711 3.960 0.000 0.000 0.239 63 G HA3 -0.249 3.711 3.960 0.000 0.000 0.239 63 G C -0.552 174.468 174.900 0.201 0.000 1.331 63 G CA -0.174 45.069 45.100 0.239 0.000 0.890 63 G HN 0.403 nan 8.290 nan 0.000 0.572 64 I N 1.691 122.333 120.570 0.119 0.000 2.441 64 I HA 0.618 4.788 4.170 0.000 0.000 0.295 64 I C 0.852 176.999 176.117 0.049 0.000 0.994 64 I CA 0.223 61.564 61.300 0.068 0.000 1.144 64 I CB 1.178 39.168 38.000 -0.016 0.000 1.314 64 I HN 2.155 nan 8.210 nan 0.000 0.445 65 G N 3.515 112.324 108.800 0.015 0.000 2.692 65 G HA2 -0.078 3.882 3.960 0.000 0.000 0.686 65 G HA3 -0.078 3.882 3.960 0.000 0.000 0.686 65 G C 0.539 175.402 174.900 -0.062 0.000 1.243 65 G CA -0.431 44.657 45.100 -0.020 0.000 0.782 65 G HN 0.999 nan 8.290 nan 0.000 0.625 66 G N 0.954 109.702 108.800 -0.087 0.000 2.491 66 G HA2 -0.006 3.954 3.960 0.000 0.000 0.218 66 G HA3 -0.006 3.954 3.960 0.000 0.000 0.218 66 G C 0.182 175.007 174.900 -0.125 0.000 1.180 66 G CA 2.103 47.118 45.100 -0.142 0.000 0.774 66 G HN 0.713 nan 8.290 nan 0.000 0.562 67 P HA -0.131 nan 4.420 nan 0.000 0.216 67 P C 2.314 179.572 177.300 -0.070 0.000 1.153 67 P CA 1.918 64.988 63.100 -0.050 0.000 0.858 67 P CB -0.102 31.591 31.700 -0.012 0.000 0.789 68 S N -1.204 114.469 115.700 -0.045 0.000 2.345 68 S HA -0.129 4.341 4.470 0.000 0.000 0.220 68 S C 1.874 176.390 174.600 -0.139 0.000 1.031 68 S CA 0.885 59.064 58.200 -0.034 0.000 0.996 68 S CB -1.030 62.227 63.200 0.095 0.000 0.882 68 S HN -0.009 nan 8.310 nan 0.000 0.445 69 I N 1.102 121.582 120.570 -0.150 0.000 2.454 69 I HA -0.143 4.027 4.170 0.000 0.000 0.254 69 I C 2.273 178.212 176.117 -0.298 0.000 1.156 69 I CA 1.124 62.261 61.300 -0.272 0.000 1.433 69 I CB -0.408 37.312 38.000 -0.467 0.000 1.082 69 I HN 0.412 nan 8.210 nan 0.000 0.432 70 A N 1.072 123.754 122.820 -0.229 0.000 1.873 70 A HA -0.175 4.145 4.320 0.000 0.000 0.215 70 A C 2.197 179.685 177.584 -0.160 0.000 1.186 70 A CA 1.542 53.476 52.037 -0.172 0.000 0.616 70 A CB -0.762 18.190 19.000 -0.080 0.000 0.823 70 A HN 0.470 nan 8.150 nan 0.000 0.442 71 I N -0.318 120.126 120.570 -0.211 0.000 2.127 71 I HA -0.243 3.927 4.170 0.000 0.000 0.241 71 I C 2.384 178.294 176.117 -0.345 0.000 1.075 71 I CA 1.408 62.532 61.300 -0.293 0.000 1.334 71 I CB -0.430 37.282 38.000 -0.479 0.000 1.040 71 I HN 0.159 nan 8.210 nan 0.000 0.405 72 V N 1.080 120.729 119.914 -0.441 0.000 2.332 72 V HA -0.284 3.836 4.120 0.000 0.000 0.248 72 V C 2.381 178.246 176.094 -0.382 0.000 1.055 72 V CA 1.747 63.772 62.300 -0.459 0.000 1.038 72 V CB -0.539 30.982 31.823 -0.504 0.000 0.651 72 V HN 0.367 nan 8.190 nan 0.000 0.450 73 L N -0.561 120.391 121.223 -0.452 0.000 2.056 73 L HA -0.133 4.207 4.340 0.000 0.000 0.207 73 L C 2.746 179.297 176.870 -0.532 0.000 1.078 73 L CA 1.450 55.860 54.840 -0.717 0.000 0.749 73 L CB -0.640 40.949 42.059 -0.784 0.000 0.901 73 L HN 0.345 nan 8.230 nan 0.000 0.433 74 E N 0.223 120.313 120.200 -0.183 0.000 2.077 74 E HA -0.221 4.129 4.350 0.000 0.000 0.193 74 E C 2.016 178.617 176.600 0.001 0.000 0.989 74 E CA 1.268 57.702 56.400 0.058 0.000 0.800 74 E CB -0.068 29.706 29.700 0.122 0.000 0.746 74 E HN 0.603 nan 8.360 nan 0.000 0.452 75 E N 0.621 120.780 120.200 -0.070 0.000 2.107 75 E HA -0.078 4.272 4.350 0.000 0.000 0.191 75 E C 2.410 178.985 176.600 -0.041 0.000 0.982 75 E CA 0.350 56.730 56.400 -0.034 0.000 0.809 75 E CB -0.069 29.608 29.700 -0.039 0.000 0.756 75 E HN 0.202 nan 8.360 nan 0.000 0.459 76 L N 0.889 122.057 121.223 -0.092 0.000 2.017 76 L HA -0.192 4.148 4.340 0.000 0.000 0.208 76 L C 2.648 179.509 176.870 -0.014 0.000 1.073 76 L CA 1.142 55.960 54.840 -0.036 0.000 0.745 76 L CB -0.484 41.581 42.059 0.011 0.000 0.894 76 L HN 0.136 nan 8.230 nan 0.000 0.432 77 A N -0.456 122.328 122.820 -0.061 0.000 1.933 77 A HA -0.246 4.074 4.320 0.000 0.000 0.218 77 A C 2.283 179.902 177.584 0.059 0.000 1.175 77 A CA 1.745 53.756 52.037 -0.042 0.000 0.628 77 A CB -0.486 18.470 19.000 -0.074 0.000 0.814 77 A HN 0.358 nan 8.150 nan 0.000 0.444 78 M N -0.685 118.956 119.600 0.068 0.000 2.159 78 M HA -0.086 4.394 4.480 0.000 0.000 0.263 78 M C 1.531 177.855 176.300 0.040 0.000 1.063 78 M CA 1.263 56.605 55.300 0.071 0.000 1.110 78 M CB -0.362 32.276 32.600 0.064 0.000 1.374 78 M HN 0.342 nan 8.290 nan 0.000 0.411 79 L N -0.947 120.287 121.223 0.019 0.000 2.599 79 L HA 0.105 4.445 4.340 0.000 0.000 0.230 79 L C 1.340 178.209 176.870 -0.002 0.000 1.141 79 L CA 0.435 55.279 54.840 0.008 0.000 0.877 79 L CB -0.333 41.726 42.059 0.001 0.000 1.009 79 L HN 0.627 nan 8.230 nan 0.000 0.447 80 G N -0.760 108.038 108.800 -0.004 0.000 2.260 80 G HA2 -0.154 3.806 3.960 0.000 0.000 0.179 80 G HA3 -0.154 3.806 3.960 0.000 0.000 0.179 80 G C 0.313 175.169 174.900 -0.073 0.000 1.002 80 G CA -0.211 44.876 45.100 -0.022 0.000 0.677 80 G HN 0.382 nan 8.290 nan 0.000 0.486 81 A N 0.487 123.235 122.820 -0.118 0.000 2.371 81 A HA 0.676 4.996 4.320 0.000 0.000 0.257 81 A C 0.782 178.112 177.584 -0.423 0.000 1.089 81 A CA 0.849 52.706 52.037 -0.300 0.000 0.794 81 A CB 0.303 19.111 19.000 -0.320 0.000 1.029 81 A HN 1.259 nan 8.150 nan 0.000 0.488 82 N N -0.733 117.630 118.700 -0.562 0.000 1.986 82 N HA 0.184 4.924 4.740 0.000 0.000 0.227 82 N C -1.182 174.089 175.510 -0.399 0.000 1.387 82 N CA 0.019 52.853 53.050 -0.360 0.000 0.810 82 N CB 0.638 39.106 38.487 -0.032 0.000 1.140 82 N HN 0.256 nan 8.380 nan 0.000 0.504 83 V N 1.601 121.091 119.914 -0.706 0.000 2.447 83 V HA 0.528 4.648 4.120 0.000 0.000 0.292 83 V C -1.541 174.170 176.094 -0.639 0.000 1.021 83 V CA -0.555 61.480 62.300 -0.441 0.000 0.850 83 V CB 0.877 32.565 31.823 -0.226 0.000 1.005 83 V HN 0.099 nan 8.190 nan 0.000 0.426 84 F N 5.073 125.014 119.950 -0.015 0.000 2.520 84 F HA 0.685 5.212 4.527 0.000 0.000 0.322 84 F C 0.057 175.877 175.800 0.033 0.000 1.103 84 F CA -0.743 57.245 58.000 -0.021 0.000 0.926 84 F CB 1.988 40.953 39.000 -0.057 0.000 1.154 84 F HN 0.209 nan 8.300 nan 0.000 0.453 85 I N 3.316 124.013 120.570 0.212 0.000 2.493 85 I HA 0.306 4.477 4.170 0.000 0.000 0.279 85 I C -0.357 175.871 176.117 0.184 0.000 1.045 85 I CA -0.627 60.770 61.300 0.163 0.000 1.106 85 I CB 1.683 39.729 38.000 0.076 0.000 1.216 85 I HN 0.597 nan 8.210 nan 0.000 0.459 86 R N 5.343 125.957 120.500 0.191 0.000 2.438 86 R HA 0.244 4.584 4.340 0.000 0.000 0.287 86 R C -1.719 174.746 176.300 0.274 0.000 1.077 86 R CA 0.027 56.244 56.100 0.195 0.000 1.034 86 R CB 0.817 31.168 30.300 0.085 0.000 0.993 86 R HN 0.481 nan 8.270 nan 0.000 0.459 87 Y N 3.375 123.743 120.300 0.114 0.000 2.329 87 Y HA 0.576 5.126 4.550 0.000 0.000 0.328 87 Y C -0.566 175.397 175.900 0.105 0.000 0.992 87 Y CA -0.376 57.788 58.100 0.105 0.000 1.151 87 Y CB 1.643 40.158 38.460 0.092 0.000 1.150 87 Y HN 0.836 nan 8.280 nan 0.000 0.450 88 G N 2.113 110.831 108.800 -0.138 0.000 2.782 88 G HA2 0.526 4.487 3.960 0.000 0.000 0.304 88 G HA3 0.526 4.487 3.960 0.000 0.000 0.304 88 G C -1.274 173.527 174.900 -0.164 0.000 1.315 88 G CA -0.715 44.287 45.100 -0.162 0.000 0.791 88 G HN 0.551 nan 8.290 nan 0.000 0.519 89 T N -1.862 112.637 114.554 -0.093 0.000 2.943 89 T HA 0.731 5.081 4.350 0.000 0.000 0.284 89 T C -0.144 174.552 174.700 -0.006 0.000 1.015 89 T CA -0.471 61.598 62.100 -0.051 0.000 1.042 89 T CB 1.924 70.768 68.868 -0.041 0.000 1.055 89 T HN 0.868 nan 8.240 nan 0.000 0.500 90 T N -0.771 113.790 114.554 0.012 0.000 2.792 90 T HA 0.657 5.008 4.350 0.000 0.000 0.303 90 T C -1.055 173.663 174.700 0.031 0.000 1.310 90 T CA -0.498 61.618 62.100 0.027 0.000 1.007 90 T CB 1.418 70.304 68.868 0.031 0.000 1.335 90 T HN 1.095 nan 8.240 nan 0.000 0.504 91 G N 1.108 109.931 108.800 0.037 0.000 2.487 91 G HA2 0.678 4.638 3.960 0.000 0.000 0.314 91 G HA3 0.678 4.638 3.960 0.000 0.000 0.314 91 G C -0.045 174.872 174.900 0.028 0.000 1.267 91 G CA -0.104 45.016 45.100 0.032 0.000 0.937 91 G HN 0.974 nan 8.290 nan 0.000 0.481 92 A N 1.838 124.653 122.820 -0.010 0.000 2.406 92 A HA 0.554 4.875 4.320 0.000 0.000 0.243 92 A C 0.852 178.417 177.584 -0.032 0.000 1.082 92 A CA -0.175 51.828 52.037 -0.057 0.000 0.786 92 A CB 0.412 19.328 19.000 -0.139 0.000 1.029 92 A HN 0.767 nan 8.150 nan 0.000 0.495 93 L N 0.978 122.164 121.223 -0.060 0.000 2.966 93 L HA 0.196 4.536 4.340 0.000 0.000 0.262 93 L C -0.381 176.433 176.870 -0.094 0.000 1.165 93 L CA -0.020 54.809 54.840 -0.019 0.000 0.978 93 L CB 0.343 42.422 42.059 0.034 0.000 1.337 93 L HN 0.593 nan 8.230 nan 0.000 0.563 94 V N -3.492 116.282 119.914 -0.233 0.000 2.604 94 V HA 0.461 4.581 4.120 0.000 0.000 0.305 94 V C -1.959 173.902 176.094 -0.388 0.000 1.043 94 V CA -1.604 60.475 62.300 -0.368 0.000 0.888 94 V CB 1.614 32.983 31.823 -0.757 0.000 0.995 94 V HN -0.122 nan 8.190 nan 0.000 0.429 95 P HA -0.086 nan 4.420 nan 0.000 0.234 95 P C 0.659 177.910 177.300 -0.080 0.000 1.167 95 P CA 1.022 64.058 63.100 -0.106 0.000 0.763 95 P CB -0.168 31.527 31.700 -0.009 0.000 0.835 96 Y N -1.531 118.716 120.300 -0.088 0.000 2.493 96 Y HA 0.499 5.049 4.550 0.000 0.000 0.275 96 Y C 0.502 176.294 175.900 -0.181 0.000 1.183 96 Y CA -1.385 56.659 58.100 -0.093 0.000 1.258 96 Y CB -0.741 37.680 38.460 -0.065 0.000 1.108 96 Y HN -0.234 nan 8.280 nan 0.000 0.521 97 I N 2.403 122.755 120.570 -0.363 0.000 2.389 97 I HA 0.249 4.419 4.170 0.000 0.000 0.288 97 I C -0.721 175.327 176.117 -0.115 0.000 0.999 97 I CA -0.799 60.282 61.300 -0.364 0.000 1.129 97 I CB 1.203 38.819 38.000 -0.641 0.000 1.288 97 I HN 0.162 nan 8.210 nan 0.000 0.444 98 N N 6.345 125.057 118.700 0.020 0.000 2.495 98 N HA 0.475 5.215 4.740 0.000 0.000 0.280 98 N C -0.405 175.104 175.510 -0.002 0.000 1.168 98 N CA -0.629 52.429 53.050 0.012 0.000 0.978 98 N CB 1.713 40.220 38.487 0.034 0.000 1.191 98 N HN 0.387 nan 8.380 nan 0.000 0.497 99 L N 0.355 121.563 121.223 -0.025 0.000 2.485 99 L HA 0.116 4.456 4.340 0.000 0.000 0.275 99 L C 1.655 178.489 176.870 -0.060 0.000 1.207 99 L CA 0.255 55.073 54.840 -0.036 0.000 0.855 99 L CB -0.096 41.946 42.059 -0.029 0.000 1.114 99 L HN 0.889 nan 8.230 nan 0.000 0.485 100 G N 1.183 109.924 108.800 -0.099 0.000 2.217 100 G HA2 -0.209 3.751 3.960 0.000 0.000 0.246 100 G HA3 -0.209 3.751 3.960 0.000 0.000 0.246 100 G C 0.262 174.945 174.900 -0.361 0.000 0.990 100 G CA -0.066 44.931 45.100 -0.171 0.000 0.627 100 G HN 0.658 nan 8.290 nan 0.000 0.522 101 E N -0.677 119.387 120.200 -0.226 0.000 2.351 101 E HA 0.596 4.946 4.350 0.000 0.000 0.255 101 E C -0.538 175.882 176.600 -0.300 0.000 1.188 101 E CA -0.473 55.809 56.400 -0.197 0.000 0.940 101 E CB 0.580 30.378 29.700 0.164 0.000 1.094 101 E HN 0.390 nan 8.360 nan 0.000 0.474 102 Y N -0.484 119.986 120.300 0.284 0.000 2.524 102 Y HA 0.493 5.043 4.550 0.000 0.000 0.344 102 Y C -0.038 176.011 175.900 0.248 0.000 1.012 102 Y CA -0.843 57.402 58.100 0.241 0.000 1.068 102 Y CB 1.256 39.846 38.460 0.218 0.000 1.249 102 Y HN 0.216 nan 8.280 nan 0.000 0.468 103 I N 3.594 124.360 120.570 0.327 0.000 2.418 103 I HA 0.362 4.532 4.170 0.000 0.000 0.287 103 I C -0.900 175.305 176.117 0.147 0.000 1.008 103 I CA -0.559 60.895 61.300 0.257 0.000 1.104 103 I CB 1.459 39.575 38.000 0.194 0.000 1.264 103 I HN 0.480 nan 8.210 nan 0.000 0.438 104 I N 7.167 127.810 120.570 0.122 0.000 2.307 104 I HA 0.182 4.352 4.170 0.000 0.000 0.287 104 I C 0.014 176.188 176.117 0.095 0.000 1.054 104 I CA -0.749 60.560 61.300 0.015 0.000 1.218 104 I CB 1.149 39.087 38.000 -0.104 0.000 1.398 104 I HN 0.221 nan 8.210 nan 0.000 0.475 105 V N 5.424 125.420 119.914 0.136 0.000 2.557 105 V HA -0.049 4.071 4.120 0.000 0.000 0.301 105 V C 1.437 177.612 176.094 0.136 0.000 1.026 105 V CA 0.545 62.968 62.300 0.204 0.000 1.137 105 V CB 0.558 32.602 31.823 0.369 0.000 0.917 105 V HN 0.914 nan 8.190 nan 0.000 0.484 106 T N 0.156 114.783 114.554 0.122 0.000 3.044 106 T HA 0.547 4.897 4.350 0.000 0.000 0.260 106 T C 0.560 175.275 174.700 0.026 0.000 1.019 106 T CA 0.343 62.471 62.100 0.047 0.000 0.921 106 T CB 0.527 69.444 68.868 0.083 0.000 1.053 106 T HN 1.305 nan 8.240 nan 0.000 0.533 107 G N -0.020 108.862 108.800 0.137 0.000 2.355 107 G HA2 0.583 4.543 3.960 0.000 0.000 0.296 107 G HA3 0.583 4.543 3.960 0.000 0.000 0.296 107 G C -2.050 173.072 174.900 0.371 0.000 1.507 107 G CA -0.379 44.840 45.100 0.197 0.000 0.823 107 G HN 0.656 nan 8.290 nan 0.000 0.569 108 A N 0.213 123.278 122.820 0.408 0.000 2.359 108 A HA 0.873 5.193 4.320 0.000 0.000 0.303 108 A C 0.055 177.836 177.584 0.328 0.000 1.066 108 A CA -0.299 51.936 52.037 0.330 0.000 0.730 108 A CB 1.592 20.753 19.000 0.268 0.000 1.211 108 A HN 1.268 nan 8.150 nan 0.000 0.439 109 S N 0.738 116.604 115.700 0.275 0.000 2.646 109 S HA 0.822 5.292 4.470 0.000 0.000 0.276 109 S C -0.794 174.021 174.600 0.357 0.000 1.222 109 S CA -0.122 58.238 58.200 0.266 0.000 1.014 109 S CB 0.693 64.047 63.200 0.257 0.000 0.991 109 S HN 1.117 nan 8.310 nan 0.000 0.533 110 Y N -1.232 119.142 120.300 0.124 0.000 2.662 110 Y HA 0.489 5.039 4.550 0.000 0.000 0.334 110 Y C -1.417 174.546 175.900 0.104 0.000 1.185 110 Y CA -1.316 56.840 58.100 0.094 0.000 1.074 110 Y CB 0.427 38.804 38.460 -0.138 0.000 1.330 110 Y HN 0.395 nan 8.280 nan 0.000 0.458 111 N N 3.427 122.287 118.700 0.265 0.000 2.422 111 N HA 0.142 4.882 4.740 0.000 0.000 0.264 111 N C -0.473 175.144 175.510 0.179 0.000 1.063 111 N CA -0.430 52.723 53.050 0.172 0.000 0.959 111 N CB 1.581 40.229 38.487 0.268 0.000 1.087 111 N HN 0.876 nan 8.380 nan 0.000 0.483 112 Q N 1.276 121.102 119.800 0.043 0.000 2.584 112 Q HA 0.476 4.816 4.340 0.000 0.000 0.218 112 Q C 0.589 176.716 176.000 0.212 0.000 1.079 112 Q CA -0.290 55.601 55.803 0.147 0.000 1.008 112 Q CB 0.515 29.288 28.738 0.058 0.000 1.267 112 Q HN 0.628 nan 8.270 nan 0.000 0.586 113 G N -0.889 108.081 108.800 0.282 0.000 2.358 113 G HA2 0.152 4.112 3.960 0.000 0.000 0.198 113 G HA3 0.152 4.112 3.960 0.000 0.000 0.198 113 G C 0.509 175.615 174.900 0.343 0.000 1.220 113 G CA -0.044 45.196 45.100 0.234 0.000 1.187 113 G HN 1.478 nan 8.290 nan 0.000 0.544 114 G N -0.100 108.849 108.800 0.249 0.000 2.668 114 G HA2 -0.249 3.711 3.960 0.000 0.000 0.429 114 G HA3 -0.249 3.711 3.960 0.000 0.000 0.429 114 G C 1.735 176.776 174.900 0.235 0.000 1.182 114 G CA 2.465 47.701 45.100 0.227 0.000 0.911 114 G HN 1.942 nan 8.290 nan 0.000 0.631 115 L N -0.634 120.681 121.223 0.153 0.000 2.043 115 L HA -0.049 4.291 4.340 0.000 0.000 0.212 115 L C 2.926 179.839 176.870 0.072 0.000 1.075 115 L CA 2.557 57.420 54.840 0.039 0.000 0.752 115 L CB -0.342 41.647 42.059 -0.118 0.000 0.891 115 L HN 0.476 nan 8.230 nan 0.000 0.432 116 F N -1.322 118.736 119.950 0.179 0.000 2.134 116 F HA -0.270 4.257 4.527 0.000 0.000 0.299 116 F C 2.401 178.340 175.800 0.231 0.000 1.097 116 F CA 1.876 59.983 58.000 0.180 0.000 1.264 116 F CB -0.924 38.171 39.000 0.157 0.000 1.001 116 F HN 0.142 nan 8.300 nan 0.000 0.479 117 Y N 1.258 121.732 120.300 0.290 0.000 2.181 117 Y HA -0.263 4.287 4.550 0.000 0.000 0.288 117 Y C 2.358 178.321 175.900 0.104 0.000 1.146 117 Y CA 1.708 59.916 58.100 0.180 0.000 1.164 117 Y CB -0.816 37.729 38.460 0.141 0.000 0.982 117 Y HN 0.125 nan 8.280 nan 0.000 0.515 118 Q N -1.563 118.212 119.800 -0.042 0.000 2.170 118 Q HA -0.223 4.117 4.340 0.000 0.000 0.203 118 Q C 1.858 177.704 176.000 -0.255 0.000 0.976 118 Q CA 1.896 57.552 55.803 -0.245 0.000 0.858 118 Q CB -0.290 28.322 28.738 -0.210 0.000 0.907 118 Q HN 0.571 nan 8.270 nan 0.000 0.433 119 Y N -0.152 120.088 120.300 -0.100 0.000 2.231 119 Y HA -0.027 4.523 4.550 0.000 0.000 0.294 119 Y C 1.828 177.688 175.900 -0.066 0.000 1.120 119 Y CA 0.750 58.794 58.100 -0.094 0.000 1.141 119 Y CB 0.160 38.551 38.460 -0.116 0.000 1.022 119 Y HN -0.002 nan 8.280 nan 0.000 0.523 120 L N -0.740 120.579 121.223 0.160 0.000 2.554 120 L HA 0.033 4.373 4.340 0.000 0.000 0.226 120 L C 0.871 177.763 176.870 0.036 0.000 1.137 120 L CA 0.535 55.445 54.840 0.117 0.000 0.863 120 L CB -0.258 41.916 42.059 0.191 0.000 0.985 120 L HN 0.176 nan 8.230 nan 0.000 0.451 121 R N 0.045 120.491 120.500 -0.090 0.000 4.010 121 R HA -0.211 4.129 4.340 0.000 0.000 0.409 121 R C -0.313 175.943 176.300 -0.074 0.000 1.120 121 R CA 1.404 57.385 56.100 -0.198 0.000 1.244 121 R CB -1.570 28.672 30.300 -0.098 0.000 1.799 121 R HN 0.699 nan 8.270 nan 0.000 0.559 122 D N -2.556 117.913 120.400 0.115 0.000 2.738 122 D HA 0.068 4.708 4.640 0.000 0.000 0.308 122 D C -0.696 175.802 176.300 0.331 0.000 1.311 122 D CA -0.884 53.292 54.000 0.292 0.000 0.799 122 D CB -0.191 40.711 40.800 0.169 0.000 1.332 122 D HN -0.131 nan 8.370 nan 0.000 0.441 123 N N -0.446 118.404 118.700 0.249 0.000 2.322 123 N HA 0.355 5.095 4.740 0.000 0.000 0.216 123 N C 0.015 175.605 175.510 0.132 0.000 1.144 123 N CA -0.001 53.162 53.050 0.189 0.000 0.830 123 N CB 0.389 38.941 38.487 0.108 0.000 1.034 123 N HN 0.552 nan 8.380 nan 0.000 0.484 124 A N 0.151 123.051 122.820 0.134 0.000 2.483 124 A HA 0.091 4.411 4.320 0.000 0.000 0.238 124 A C 0.494 178.146 177.584 0.114 0.000 1.070 124 A CA -0.044 52.053 52.037 0.100 0.000 0.770 124 A CB 0.279 19.335 19.000 0.094 0.000 1.008 124 A HN 0.423 nan 8.150 nan 0.000 0.497 125 C N 3.659 123.001 119.300 0.070 0.000 2.298 125 C HA 0.357 4.817 4.460 0.000 0.000 0.451 125 C C 0.668 175.725 174.990 0.112 0.000 1.028 125 C CA -0.680 58.376 59.018 0.063 0.000 1.324 125 C CB -2.057 25.661 27.740 -0.037 0.000 1.534 125 C HN 0.580 nan 8.230 nan 0.000 0.528 126 V N 3.249 123.267 119.914 0.172 0.000 2.763 126 V HA 0.185 4.305 4.120 0.000 0.000 0.306 126 V C 1.086 177.280 176.094 0.166 0.000 1.059 126 V CA 0.034 62.423 62.300 0.148 0.000 1.138 126 V CB 0.582 32.495 31.823 0.150 0.000 0.940 126 V HN 0.866 nan 8.190 nan 0.000 0.489 127 A N 4.244 127.134 122.820 0.116 0.000 2.545 127 A HA 0.222 4.542 4.320 0.000 0.000 0.253 127 A C 0.785 178.458 177.584 0.147 0.000 1.074 127 A CA 0.441 52.548 52.037 0.116 0.000 0.760 127 A CB 0.027 19.067 19.000 0.067 0.000 1.005 127 A HN 0.864 nan 8.150 nan 0.000 0.506 128 S N 2.806 118.632 115.700 0.210 0.000 3.158 128 S HA 0.467 4.937 4.470 0.000 0.000 0.215 128 S C 0.300 175.045 174.600 0.241 0.000 1.359 128 S CA 0.012 58.374 58.200 0.269 0.000 0.974 128 S CB -0.790 62.615 63.200 0.343 0.000 1.336 128 S HN 1.028 nan 8.310 nan 0.000 0.488 129 T N 1.981 116.562 114.554 0.045 0.000 2.924 129 T HA 0.729 5.079 4.350 0.000 0.000 0.291 129 T C -3.050 171.328 174.700 -0.535 0.000 1.045 129 T CA -2.089 59.869 62.100 -0.237 0.000 1.015 129 T CB 1.861 70.671 68.868 -0.098 0.000 1.103 129 T HN 0.278 nan 8.240 nan 0.000 0.496 130 P HA 0.327 nan 4.420 nan 0.000 0.281 130 P C -0.853 176.324 177.300 -0.204 0.000 1.281 130 P CA -0.393 62.297 63.100 -0.684 0.000 0.811 130 P CB 0.571 31.792 31.700 -0.798 0.000 1.154 131 D N -0.570 119.790 120.400 -0.066 0.000 2.417 131 D HA -0.021 4.619 4.640 0.000 0.000 0.250 131 D C 0.985 177.308 176.300 0.038 0.000 1.166 131 D CA -0.121 53.892 54.000 0.022 0.000 0.881 131 D CB -0.094 40.733 40.800 0.046 0.000 1.164 131 D HN 0.172 nan 8.370 nan 0.000 0.467 132 F N 3.516 123.433 119.950 -0.055 0.000 2.046 132 F HA -0.169 4.359 4.527 0.000 0.000 0.297 132 F C 1.874 177.657 175.800 -0.028 0.000 1.123 132 F CA 1.717 59.691 58.000 -0.044 0.000 1.199 132 F CB -0.112 38.870 39.000 -0.030 0.000 0.972 132 F HN 0.560 nan 8.300 nan 0.000 0.474 133 E N 0.296 120.494 120.200 -0.003 0.000 2.038 133 E HA -0.271 4.080 4.350 0.000 0.000 0.195 133 E C 2.458 178.976 176.600 -0.138 0.000 1.000 133 E CA 1.618 57.959 56.400 -0.100 0.000 0.803 133 E CB -0.589 29.125 29.700 0.024 0.000 0.750 133 E HN 0.462 nan 8.360 nan 0.000 0.448 134 L N 0.804 121.984 121.223 -0.072 0.000 2.042 134 L HA -0.206 4.134 4.340 0.000 0.000 0.210 134 L C 2.403 179.213 176.870 -0.100 0.000 1.076 134 L CA 1.387 56.189 54.840 -0.063 0.000 0.749 134 L CB -0.375 41.673 42.059 -0.018 0.000 0.893 134 L HN 0.245 nan 8.230 nan 0.000 0.432 135 T N -0.538 113.933 114.554 -0.138 0.000 2.788 135 T HA -0.140 4.210 4.350 0.000 0.000 0.268 135 T C 1.634 176.212 174.700 -0.203 0.000 1.044 135 T CA 1.236 63.243 62.100 -0.156 0.000 1.139 135 T CB -0.226 68.546 68.868 -0.159 0.000 0.867 135 T HN 0.347 nan 8.240 nan 0.000 0.454 136 N N 1.127 119.653 118.700 -0.290 0.000 2.188 136 N HA -0.012 4.728 4.740 0.000 0.000 0.184 136 N C 1.870 177.282 175.510 -0.162 0.000 1.018 136 N CA 0.897 53.787 53.050 -0.266 0.000 0.858 136 N CB -0.125 38.144 38.487 -0.363 0.000 0.989 136 N HN 0.435 nan 8.380 nan 0.000 0.426 137 K N 0.835 121.156 120.400 -0.133 0.000 2.063 137 K HA -0.056 4.264 4.320 0.000 0.000 0.208 137 K C 2.133 178.690 176.600 -0.073 0.000 1.048 137 K CA 0.754 56.989 56.287 -0.086 0.000 0.928 137 K CB -0.236 32.225 32.500 -0.066 0.000 0.713 137 K HN 0.144 nan 8.250 nan 0.000 0.442 138 L N 0.654 121.829 121.223 -0.080 0.000 2.042 138 L HA -0.216 4.124 4.340 0.000 0.000 0.210 138 L C 2.374 179.190 176.870 -0.089 0.000 1.076 138 L CA 0.966 55.778 54.840 -0.047 0.000 0.749 138 L CB -0.434 41.561 42.059 -0.106 0.000 0.893 138 L HN 0.020 nan 8.230 nan 0.000 0.432 139 V N -0.659 119.137 119.914 -0.196 0.000 2.295 139 V HA -0.308 3.812 4.120 0.000 0.000 0.246 139 V C 2.538 178.527 176.094 -0.175 0.000 1.049 139 V CA 2.400 64.520 62.300 -0.299 0.000 1.024 139 V CB -0.709 31.012 31.823 -0.170 0.000 0.648 139 V HN 0.479 nan 8.190 nan 0.000 0.447 140 T N -0.735 113.766 114.554 -0.088 0.000 2.684 140 T HA -0.227 4.123 4.350 0.000 0.000 0.267 140 T C 2.159 176.835 174.700 -0.041 0.000 1.036 140 T CA 1.977 64.051 62.100 -0.044 0.000 1.148 140 T CB -0.349 68.495 68.868 -0.041 0.000 0.863 140 T HN 0.511 nan 8.240 nan 0.000 0.436 141 S N 0.202 115.876 115.700 -0.043 0.000 2.359 141 S HA -0.110 4.360 4.470 0.000 0.000 0.224 141 S C 1.762 176.289 174.600 -0.122 0.000 1.035 141 S CA 1.208 59.368 58.200 -0.067 0.000 1.018 141 S CB -0.556 62.612 63.200 -0.053 0.000 0.876 141 S HN 0.410 nan 8.310 nan 0.000 0.448 142 F N 2.132 121.921 119.950 -0.268 0.000 2.186 142 F HA -0.021 4.507 4.527 0.000 0.000 0.299 142 F C 2.953 178.674 175.800 -0.131 0.000 1.090 142 F CA 1.392 59.219 58.000 -0.288 0.000 1.307 142 F CB -0.662 38.027 39.000 -0.519 0.000 1.019 142 F HN 0.393 nan 8.300 nan 0.000 0.489 143 S N -0.547 115.193 115.700 0.066 0.000 2.436 143 S HA -0.171 4.299 4.470 0.000 0.000 0.228 143 S C 1.967 176.607 174.600 0.066 0.000 1.014 143 S CA 0.862 59.163 58.200 0.168 0.000 0.950 143 S CB -0.516 62.814 63.200 0.217 0.000 0.784 143 S HN 0.410 nan 8.310 nan 0.000 0.504 144 K N 1.191 121.594 120.400 0.005 0.000 2.288 144 K HA 0.103 4.423 4.320 0.000 0.000 0.201 144 K C 1.797 178.375 176.600 -0.037 0.000 1.048 144 K CA 0.581 56.857 56.287 -0.017 0.000 0.956 144 K CB 0.020 32.498 32.500 -0.036 0.000 0.746 144 K HN 0.268 nan 8.250 nan 0.000 0.461 145 R N 0.811 121.268 120.500 -0.072 0.000 2.515 145 R HA 0.144 4.484 4.340 0.000 0.000 0.294 145 R C -0.483 175.797 176.300 -0.033 0.000 1.021 145 R CA -0.143 55.903 56.100 -0.090 0.000 1.081 145 R CB 0.160 30.340 30.300 -0.201 0.000 1.263 145 R HN 0.229 nan 8.270 nan 0.000 0.557 146 N N 1.472 120.184 118.700 0.020 0.000 2.699 146 N HA -0.215 4.526 4.740 0.000 0.000 0.256 146 N C -0.932 174.642 175.510 0.106 0.000 0.993 146 N CA 1.050 54.139 53.050 0.066 0.000 0.759 146 N CB -0.738 37.774 38.487 0.043 0.000 0.906 146 N HN 0.330 nan 8.380 nan 0.000 0.541 147 L N 0.020 121.345 121.223 0.169 0.000 2.317 147 L HA 0.338 4.678 4.340 0.000 0.000 0.281 147 L C 0.772 177.894 176.870 0.421 0.000 1.024 147 L CA -0.999 54.017 54.840 0.292 0.000 0.810 147 L CB 1.462 43.668 42.059 0.246 0.000 1.240 147 L HN -0.103 nan 8.230 nan 0.000 0.427 148 K N 3.607 124.217 120.400 0.350 0.000 2.349 148 K HA 0.276 4.596 4.320 0.000 0.000 0.288 148 K C -1.189 175.582 176.600 0.286 0.000 1.058 148 K CA 0.184 56.576 56.287 0.175 0.000 0.953 148 K CB 0.078 32.614 32.500 0.060 0.000 0.997 148 K HN 0.389 nan 8.250 nan 0.000 0.477 149 Y N 1.791 122.065 120.300 -0.044 0.000 2.588 149 Y HA 0.598 5.148 4.550 0.000 0.000 0.343 149 Y C -1.539 174.173 175.900 -0.314 0.000 1.065 149 Y CA -1.381 56.702 58.100 -0.028 0.000 1.038 149 Y CB 0.918 39.418 38.460 0.067 0.000 1.297 149 Y HN 0.408 nan 8.280 nan 0.000 0.467 150 Y N 0.788 121.192 120.300 0.173 0.000 2.562 150 Y HA 0.740 5.290 4.550 0.000 0.000 0.343 150 Y C -0.848 175.178 175.900 0.209 0.000 1.025 150 Y CA -1.502 56.661 58.100 0.104 0.000 1.082 150 Y CB 2.311 40.856 38.460 0.141 0.000 1.264 150 Y HN 0.563 nan 8.280 nan 0.000 0.478 151 V N 1.442 121.546 119.914 0.317 0.000 2.483 151 V HA 0.921 5.041 4.120 0.000 0.000 0.297 151 V C -0.038 176.178 176.094 0.203 0.000 1.027 151 V CA -0.174 62.273 62.300 0.246 0.000 0.855 151 V CB 1.106 33.059 31.823 0.218 0.000 0.995 151 V HN 0.998 nan 8.190 nan 0.000 0.424 152 G N 3.993 112.898 108.800 0.176 0.000 2.340 152 G HA2 0.292 4.252 3.960 0.000 0.000 0.299 152 G HA3 0.292 4.252 3.960 0.000 0.000 0.299 152 G C -1.664 173.326 174.900 0.149 0.000 1.291 152 G CA -0.806 44.387 45.100 0.154 0.000 0.841 152 G HN 0.453 nan 8.290 nan 0.000 0.500 153 N N -0.521 118.265 118.700 0.143 0.000 2.493 153 N HA 0.629 5.370 4.740 0.000 0.000 0.275 153 N C 0.036 175.638 175.510 0.153 0.000 1.186 153 N CA -0.073 53.073 53.050 0.160 0.000 0.978 153 N CB 1.882 40.462 38.487 0.154 0.000 1.184 153 N HN 1.060 nan 8.380 nan 0.000 0.487 154 V N -1.654 118.359 119.914 0.164 0.000 2.962 154 V HA 0.634 4.754 4.120 0.000 0.000 0.313 154 V C -0.923 175.243 176.094 0.120 0.000 1.099 154 V CA -1.087 61.286 62.300 0.121 0.000 0.971 154 V CB 1.780 33.651 31.823 0.080 0.000 1.028 154 V HN 0.455 nan 8.190 nan 0.000 0.430 155 F N 2.822 122.696 119.950 -0.127 0.000 2.410 155 F HA 0.752 5.279 4.527 0.000 0.000 0.349 155 F C 0.345 175.996 175.800 -0.248 0.000 1.117 155 F CA -0.594 57.212 58.000 -0.323 0.000 1.104 155 F CB 1.452 39.971 39.000 -0.801 0.000 1.122 155 F HN 0.599 nan 8.300 nan 0.000 0.483 156 S N 4.823 120.097 115.700 -0.710 0.000 2.415 156 S HA 0.234 4.704 4.470 0.000 0.000 0.313 156 S C -0.053 173.927 174.600 -1.032 0.000 1.067 156 S CA -0.472 57.328 58.200 -0.667 0.000 1.099 156 S CB 0.382 63.431 63.200 -0.252 0.000 0.991 156 S HN 0.735 nan 8.310 nan 0.000 0.491 157 S N 1.707 116.716 115.700 -1.151 0.000 2.584 157 S HA 0.224 4.694 4.470 0.000 0.000 0.273 157 S C 0.327 174.798 174.600 -0.216 0.000 1.311 157 S CA -0.546 57.210 58.200 -0.739 0.000 1.034 157 S CB 0.539 63.486 63.200 -0.422 0.000 0.939 157 S HN 0.602 nan 8.310 nan 0.000 0.513 158 D N 1.891 122.276 120.400 -0.025 0.000 2.417 158 D HA 0.264 4.904 4.640 0.000 0.000 0.207 158 D C -0.074 176.278 176.300 0.087 0.000 1.075 158 D CA 0.271 54.299 54.000 0.047 0.000 0.851 158 D CB 0.660 41.520 40.800 0.102 0.000 0.976 158 D HN 0.495 nan 8.370 nan 0.000 0.505 159 A N 0.524 123.409 122.820 0.108 0.000 2.709 159 A HA 0.276 4.596 4.320 0.000 0.000 0.332 159 A C 0.310 177.950 177.584 0.093 0.000 1.241 159 A CA -0.639 51.477 52.037 0.131 0.000 0.782 159 A CB -0.127 18.962 19.000 0.148 0.000 1.109 159 A HN -0.026 nan 8.150 nan 0.000 0.472 160 F N 1.593 121.483 119.950 -0.099 0.000 2.091 160 F HA -0.223 4.304 4.527 0.000 0.000 0.299 160 F C 1.196 176.750 175.800 -0.410 0.000 1.103 160 F CA 2.407 60.229 58.000 -0.296 0.000 1.228 160 F CB -0.037 38.720 39.000 -0.406 0.000 0.984 160 F HN 0.673 nan 8.300 nan 0.000 0.477 161 Y N -0.058 120.320 120.300 0.130 0.000 2.493 161 Y HA 0.448 4.999 4.550 0.000 0.000 0.275 161 Y C 1.016 176.910 175.900 -0.010 0.000 1.183 161 Y CA -0.311 57.804 58.100 0.025 0.000 1.258 161 Y CB -0.757 37.769 38.460 0.110 0.000 1.108 161 Y HN 0.044 nan 8.280 nan 0.000 0.521 162 A N 0.962 123.835 122.820 0.088 0.000 2.462 162 A HA 0.106 4.426 4.320 0.000 0.000 0.243 162 A C 0.108 177.714 177.584 0.036 0.000 1.076 162 A CA -0.319 51.772 52.037 0.090 0.000 0.773 162 A CB 0.138 19.210 19.000 0.121 0.000 1.010 162 A HN 0.436 nan 8.150 nan 0.000 0.493 163 E N 0.589 120.823 120.200 0.057 0.000 2.283 163 E HA 0.339 4.689 4.350 0.000 0.000 0.278 163 E C -1.330 175.314 176.600 0.073 0.000 1.027 163 E CA -0.296 56.127 56.400 0.038 0.000 0.843 163 E CB 0.729 30.453 29.700 0.041 0.000 1.062 163 E HN 0.584 nan 8.360 nan 0.000 0.401 164 D N 3.166 123.614 120.400 0.081 0.000 2.613 164 D HA -0.003 4.637 4.640 0.000 0.000 0.230 164 D C 0.225 176.600 176.300 0.125 0.000 1.365 164 D CA -0.207 53.880 54.000 0.145 0.000 0.976 164 D CB 1.027 42.017 40.800 0.317 0.000 1.415 164 D HN 0.662 nan 8.370 nan 0.000 0.589 165 E N 1.704 121.948 120.200 0.073 0.000 2.338 165 E HA -0.107 4.243 4.350 0.000 0.000 0.197 165 E C 0.290 176.922 176.600 0.052 0.000 1.007 165 E CA 0.945 57.376 56.400 0.051 0.000 0.849 165 E CB 0.246 29.961 29.700 0.026 0.000 0.774 165 E HN 0.430 nan 8.360 nan 0.000 0.506 166 E N -0.423 119.808 120.200 0.053 0.000 2.693 166 E HA 0.103 4.453 4.350 0.000 0.000 0.214 166 E C 0.331 176.937 176.600 0.011 0.000 0.990 166 E CA -0.472 55.930 56.400 0.003 0.000 1.047 166 E CB 0.030 29.687 29.700 -0.071 0.000 1.039 166 E HN 0.122 nan 8.360 nan 0.000 0.475 167 F N 1.471 121.411 119.950 -0.017 0.000 2.032 167 F HA -0.383 4.144 4.527 0.000 0.000 0.297 167 F C 1.946 177.805 175.800 0.098 0.000 1.125 167 F CA 1.900 59.944 58.000 0.074 0.000 1.202 167 F CB -0.285 38.793 39.000 0.130 0.000 0.958 167 F HN -0.103 nan 8.300 nan 0.000 0.491 168 V N 0.787 120.822 119.914 0.202 0.000 2.295 168 V HA -0.331 3.789 4.120 0.000 0.000 0.246 168 V C 2.277 178.352 176.094 -0.031 0.000 1.049 168 V CA 2.443 64.801 62.300 0.096 0.000 1.024 168 V CB -0.956 30.948 31.823 0.135 0.000 0.648 168 V HN 0.457 nan 8.190 nan 0.000 0.447 169 K N 1.446 121.814 120.400 -0.053 0.000 2.148 169 K HA -0.169 4.152 4.320 0.000 0.000 0.204 169 K C 2.008 178.497 176.600 -0.186 0.000 1.050 169 K CA 1.755 57.988 56.287 -0.090 0.000 0.942 169 K CB -0.438 32.019 32.500 -0.071 0.000 0.724 169 K HN 0.365 nan 8.250 nan 0.000 0.446 170 K N 0.330 120.541 120.400 -0.315 0.000 1.985 170 K HA -0.134 4.186 4.320 0.000 0.000 0.210 170 K C 1.798 178.022 176.600 -0.626 0.000 1.047 170 K CA 1.820 57.776 56.287 -0.552 0.000 0.932 170 K CB -0.395 31.605 32.500 -0.833 0.000 0.716 170 K HN 0.382 nan 8.250 nan 0.000 0.439 171 W N 1.189 122.253 121.300 -0.394 0.000 2.388 171 W HA -0.137 4.523 4.660 0.000 0.000 0.294 171 W C 2.598 178.993 176.519 -0.208 0.000 1.212 171 W CA 1.037 58.150 57.345 -0.388 0.000 1.271 171 W CB -0.239 28.872 29.460 -0.582 0.000 1.126 171 W HN 0.270 nan 8.180 nan 0.000 0.535 172 S N -0.440 115.269 115.700 0.014 0.000 2.461 172 S HA -0.143 4.327 4.470 0.000 0.000 0.228 172 S C 1.774 176.370 174.600 -0.007 0.000 1.005 172 S CA 1.099 59.310 58.200 0.018 0.000 0.942 172 S CB -0.853 62.347 63.200 0.000 0.000 0.776 172 S HN 0.195 nan 8.310 nan 0.000 0.514 173 S N 1.134 116.797 115.700 -0.061 0.000 2.527 173 S HA 0.188 4.658 4.470 0.000 0.000 0.222 173 S C 1.432 175.995 174.600 -0.061 0.000 0.985 173 S CA -0.335 57.826 58.200 -0.065 0.000 0.921 173 S CB -0.358 62.780 63.200 -0.103 0.000 0.772 173 S HN 0.535 nan 8.310 nan 0.000 0.529 174 R N 0.706 121.171 120.500 -0.058 0.000 2.480 174 R HA 0.335 4.675 4.340 0.000 0.000 0.277 174 R C 1.160 177.488 176.300 0.046 0.000 1.008 174 R CA 0.327 56.411 56.100 -0.028 0.000 1.090 174 R CB -0.044 30.221 30.300 -0.058 0.000 1.234 174 R HN 0.539 nan 8.270 nan 0.000 0.549 175 G N 0.932 109.762 108.800 0.049 0.000 2.148 175 G HA2 -0.255 3.705 3.960 0.000 0.000 0.254 175 G HA3 -0.255 3.705 3.960 0.000 0.000 0.254 175 G C -0.379 174.583 174.900 0.103 0.000 0.981 175 G CA -0.282 44.862 45.100 0.074 0.000 0.670 175 G HN 0.355 nan 8.290 nan 0.000 0.528 176 N N 0.225 118.995 118.700 0.117 0.000 2.421 176 N HA 0.526 5.266 4.740 0.000 0.000 0.285 176 N C 1.431 176.995 175.510 0.090 0.000 1.027 176 N CA -0.028 53.102 53.050 0.132 0.000 0.918 176 N CB 1.315 39.915 38.487 0.189 0.000 1.152 176 N HN 0.469 nan 8.380 nan 0.000 0.485 177 I N -1.834 118.780 120.570 0.072 0.000 3.956 177 I HA 0.513 4.683 4.170 0.000 0.000 0.333 177 I C 0.311 176.422 176.117 -0.009 0.000 1.302 177 I CA -0.158 61.146 61.300 0.007 0.000 1.122 177 I CB 0.304 38.304 38.000 0.001 0.000 1.013 177 I HN 0.279 nan 8.210 nan 0.000 0.405 178 A N 0.462 123.309 122.820 0.045 0.000 2.564 178 A HA 0.742 5.063 4.320 0.000 0.000 0.291 178 A C -1.584 176.044 177.584 0.073 0.000 1.102 178 A CA -0.439 51.626 52.037 0.048 0.000 0.660 178 A CB 1.878 20.902 19.000 0.039 0.000 1.283 178 A HN 0.070 nan 8.150 nan 0.000 0.430 179 V N 0.634 120.590 119.914 0.070 0.000 2.709 179 V HA 0.836 4.956 4.120 0.000 0.000 0.308 179 V C -0.876 175.210 176.094 -0.015 0.000 1.062 179 V CA 0.179 62.504 62.300 0.042 0.000 0.901 179 V CB 1.737 33.677 31.823 0.196 0.000 1.003 179 V HN 1.512 nan 8.190 nan 0.000 0.425 180 E N 5.327 125.461 120.200 -0.111 0.000 2.391 180 E HA 0.548 4.898 4.350 0.000 0.000 0.256 180 E C -0.481 176.013 176.600 -0.177 0.000 0.975 180 E CA -0.664 55.682 56.400 -0.089 0.000 0.881 180 E CB 1.494 31.157 29.700 -0.063 0.000 1.728 180 E HN 0.419 nan 8.360 nan 0.000 0.446 181 M N -0.647 118.875 119.600 -0.129 0.000 2.300 181 M HA 0.313 4.793 4.480 0.000 0.000 0.313 181 M C 0.108 176.311 176.300 -0.162 0.000 0.988 181 M CA 0.243 55.452 55.300 -0.151 0.000 1.012 181 M CB 0.660 33.218 32.600 -0.069 0.000 1.586 181 M HN 0.487 nan 8.290 nan 0.000 0.562 182 E N -0.625 119.461 120.200 -0.190 0.000 2.453 182 E HA 0.112 4.462 4.350 0.000 0.000 0.211 182 E C 1.603 177.988 176.600 -0.359 0.000 0.897 182 E CA 0.249 56.490 56.400 -0.265 0.000 1.063 182 E CB 0.048 29.549 29.700 -0.332 0.000 1.080 182 E HN 0.312 nan 8.360 nan 0.000 0.512 183 C N 1.256 120.312 119.300 -0.407 0.000 2.398 183 C HA -0.191 4.269 4.460 0.000 0.000 0.276 183 C C 2.785 177.339 174.990 -0.726 0.000 1.222 183 C CA 1.388 59.958 59.018 -0.747 0.000 1.746 183 C CB -0.972 26.356 27.740 -0.686 0.000 2.039 183 C HN 0.575 nan 8.230 nan 0.000 0.470 184 A N 0.136 122.778 122.820 -0.297 0.000 1.892 184 A HA -0.229 4.091 4.320 0.000 0.000 0.218 184 A C 2.181 179.740 177.584 -0.041 0.000 1.188 184 A CA 2.748 54.750 52.037 -0.058 0.000 0.631 184 A CB -1.177 17.849 19.000 0.044 0.000 0.822 184 A HN 0.610 nan 8.150 nan 0.000 0.447 185 T N 0.058 114.511 114.554 -0.169 0.000 2.708 185 T HA -0.133 4.217 4.350 0.000 0.000 0.266 185 T C 1.869 176.405 174.700 -0.273 0.000 1.037 185 T CA 1.490 63.385 62.100 -0.341 0.000 1.146 185 T CB -0.453 68.195 68.868 -0.368 0.000 0.865 185 T HN 0.385 nan 8.240 nan 0.000 0.435 186 L N 0.680 121.729 121.223 -0.289 0.000 1.989 186 L HA 0.011 4.351 4.340 0.000 0.000 0.211 186 L C 2.086 178.992 176.870 0.059 0.000 1.071 186 L CA 1.734 56.456 54.840 -0.195 0.000 0.749 186 L CB -0.979 40.893 42.059 -0.311 0.000 0.890 186 L HN 0.318 nan 8.230 nan 0.000 0.431 187 F N -0.633 119.307 119.950 -0.016 0.000 2.075 187 F HA -0.236 4.292 4.527 0.000 0.000 0.297 187 F C 2.367 178.166 175.800 -0.001 0.000 1.113 187 F CA 1.254 59.268 58.000 0.023 0.000 1.218 187 F CB -0.872 38.155 39.000 0.045 0.000 0.984 187 F HN 0.076 nan 8.300 nan 0.000 0.472 188 T N 0.741 115.403 114.554 0.180 0.000 2.746 188 T HA -0.190 4.160 4.350 0.000 0.000 0.267 188 T C 1.808 176.454 174.700 -0.090 0.000 1.039 188 T CA 1.000 63.143 62.100 0.071 0.000 1.142 188 T CB -0.474 68.477 68.868 0.139 0.000 0.866 188 T HN 0.028 nan 8.240 nan 0.000 0.444 189 L N 1.112 122.217 121.223 -0.197 0.000 2.083 189 L HA -0.006 4.334 4.340 0.000 0.000 0.209 189 L C 2.532 179.210 176.870 -0.321 0.000 1.083 189 L CA 1.533 56.155 54.840 -0.364 0.000 0.752 189 L CB -0.867 40.975 42.059 -0.362 0.000 0.899 189 L HN 0.115 nan 8.230 nan 0.000 0.433 190 S N -0.626 115.052 115.700 -0.037 0.000 2.356 190 S HA -0.159 4.311 4.470 0.000 0.000 0.223 190 S C 1.907 176.442 174.600 -0.108 0.000 1.032 190 S CA 1.062 59.303 58.200 0.069 0.000 1.005 190 S CB -0.227 63.173 63.200 0.334 0.000 0.867 190 S HN 0.367 nan 8.310 nan 0.000 0.449 191 K N 1.015 121.383 120.400 -0.053 0.000 2.103 191 K HA -0.008 4.313 4.320 0.000 0.000 0.207 191 K C 2.090 178.608 176.600 -0.137 0.000 1.048 191 K CA 0.801 57.052 56.287 -0.061 0.000 0.930 191 K CB -0.811 31.682 32.500 -0.011 0.000 0.716 191 K HN 0.294 nan 8.250 nan 0.000 0.444 192 V N 1.729 121.518 119.914 -0.210 0.000 2.283 192 V HA -0.161 3.959 4.120 0.000 0.000 0.243 192 V C 2.165 178.060 176.094 -0.333 0.000 1.039 192 V CA 1.489 63.650 62.300 -0.232 0.000 1.016 192 V CB -0.253 31.423 31.823 -0.245 0.000 0.650 192 V HN 0.186 nan 8.190 nan 0.000 0.449 193 K N -0.003 120.032 120.400 -0.608 0.000 2.296 193 K HA 0.120 4.440 4.320 0.000 0.000 0.200 193 K C 1.536 177.757 176.600 -0.633 0.000 1.048 193 K CA 0.981 56.782 56.287 -0.810 0.000 0.966 193 K CB -0.151 31.277 32.500 -1.787 0.000 0.754 193 K HN 0.636 nan 8.250 nan 0.000 0.466 194 G N 0.904 109.426 108.800 -0.464 0.000 2.131 194 G HA2 -0.137 3.823 3.960 0.000 0.000 0.201 194 G HA3 -0.137 3.823 3.960 0.000 0.000 0.201 194 G C -0.401 174.500 174.900 0.002 0.000 1.000 194 G CA -0.373 44.619 45.100 -0.180 0.000 0.680 194 G HN 0.032 nan 8.290 nan 0.000 0.514 195 W N 0.515 121.861 121.300 0.076 0.000 2.283 195 W HA 0.634 5.294 4.660 0.000 0.000 0.341 195 W C 0.628 177.206 176.519 0.098 0.000 1.206 195 W CA -1.150 56.264 57.345 0.114 0.000 1.294 195 W CB 0.571 30.198 29.460 0.279 0.000 1.154 195 W HN -0.031 nan 8.180 nan 0.000 0.613 196 K N 1.839 122.420 120.400 0.301 0.000 2.264 196 K HA 0.427 4.747 4.320 0.000 0.000 0.277 196 K C -0.293 176.436 176.600 0.214 0.000 1.067 196 K CA -0.082 56.314 56.287 0.181 0.000 0.900 196 K CB 1.111 33.661 32.500 0.084 0.000 1.124 196 K HN 0.215 nan 8.250 nan 0.000 0.469 197 S N 1.012 116.856 115.700 0.240 0.000 2.671 197 S HA 0.890 5.360 4.470 0.000 0.000 0.299 197 S C -1.122 173.605 174.600 0.212 0.000 1.116 197 S CA -0.842 57.531 58.200 0.289 0.000 0.912 197 S CB 2.019 65.471 63.200 0.419 0.000 1.130 197 S HN 0.707 nan 8.310 nan 0.000 0.501 198 A N 0.627 123.614 122.820 0.278 0.000 2.566 198 A HA 0.837 5.157 4.320 0.000 0.000 0.290 198 A C -1.277 176.502 177.584 0.325 0.000 1.071 198 A CA -0.709 51.471 52.037 0.238 0.000 0.658 198 A CB 1.271 20.323 19.000 0.086 0.000 1.285 198 A HN 0.616 nan 8.150 nan 0.000 0.427 199 T N 0.025 114.758 114.554 0.299 0.000 2.956 199 T HA 0.618 4.968 4.350 0.000 0.000 0.312 199 T C -1.469 173.326 174.700 0.158 0.000 1.151 199 T CA -0.383 61.863 62.100 0.243 0.000 1.024 199 T CB 1.688 70.707 68.868 0.250 0.000 1.140 199 T HN 1.112 nan 8.240 nan 0.000 0.473 200 V N 3.524 123.542 119.914 0.174 0.000 2.638 200 V HA 0.613 4.733 4.120 0.000 0.000 0.306 200 V C -0.847 175.414 176.094 0.277 0.000 1.052 200 V CA -0.775 61.606 62.300 0.134 0.000 0.885 200 V CB 1.745 33.586 31.823 0.030 0.000 0.999 200 V HN 0.696 nan 8.190 nan 0.000 0.424 201 L N 4.214 125.564 121.223 0.212 0.000 2.354 201 L HA 0.704 5.044 4.340 0.000 0.000 0.269 201 L C -0.696 176.308 176.870 0.224 0.000 1.005 201 L CA -1.022 53.916 54.840 0.162 0.000 0.819 201 L CB 2.390 44.509 42.059 0.100 0.000 1.311 201 L HN 0.334 nan 8.230 nan 0.000 0.423 202 V N 2.751 122.734 119.914 0.115 0.000 2.394 202 V HA 0.220 4.340 4.120 0.000 0.000 0.282 202 V C 0.148 176.244 176.094 0.003 0.000 1.031 202 V CA -0.709 61.637 62.300 0.076 0.000 0.881 202 V CB 1.853 33.693 31.823 0.028 0.000 0.982 202 V HN 0.404 nan 8.190 nan 0.000 0.451 203 V N 5.404 125.306 119.914 -0.020 0.000 2.421 203 V HA 0.076 4.196 4.120 0.000 0.000 0.271 203 V C 1.291 177.374 176.094 -0.020 0.000 1.031 203 V CA 0.827 63.120 62.300 -0.012 0.000 1.032 203 V CB 0.782 32.597 31.823 -0.014 0.000 1.009 203 V HN 1.115 nan 8.190 nan 0.000 0.477 204 S N 1.774 117.474 115.700 0.000 0.000 2.524 204 S HA 0.226 4.696 4.470 0.000 0.000 0.215 204 S C 0.153 174.774 174.600 0.035 0.000 0.986 204 S CA -0.092 58.117 58.200 0.014 0.000 0.911 204 S CB 0.251 63.461 63.200 0.017 0.000 0.805 204 S HN 0.756 nan 8.310 nan 0.000 0.501 205 D N 0.130 120.546 120.400 0.027 0.000 2.653 205 D HA 0.365 5.005 4.640 0.000 0.000 0.258 205 D C -2.035 174.274 176.300 0.014 0.000 1.252 205 D CA -0.465 53.556 54.000 0.035 0.000 0.777 205 D CB 1.378 42.204 40.800 0.044 0.000 1.339 205 D HN 0.157 nan 8.370 nan 0.000 0.422 206 N N 2.234 120.942 118.700 0.013 0.000 2.549 206 N HA 0.270 5.010 4.740 0.000 0.000 0.281 206 N C 0.430 175.945 175.510 0.007 0.000 1.084 206 N CA -0.413 52.633 53.050 -0.007 0.000 0.862 206 N CB 1.006 39.475 38.487 -0.031 0.000 1.333 206 N HN 0.291 nan 8.380 nan 0.000 0.523 207 L N 2.110 123.344 121.223 0.020 0.000 2.551 207 L HA 0.072 4.412 4.340 0.000 0.000 0.228 207 L C 1.869 178.761 176.870 0.036 0.000 1.153 207 L CA 0.613 55.476 54.840 0.039 0.000 0.851 207 L CB -0.217 41.897 42.059 0.090 0.000 0.959 207 L HN 0.557 nan 8.230 nan 0.000 0.451 208 A N -0.099 122.726 122.820 0.009 0.000 2.275 208 A HA 0.120 4.440 4.320 0.000 0.000 0.212 208 A C 0.758 178.343 177.584 0.001 0.000 1.201 208 A CA 0.239 52.276 52.037 -0.001 0.000 0.843 208 A CB 0.117 19.094 19.000 -0.038 0.000 0.873 208 A HN 0.292 nan 8.150 nan 0.000 0.492 209 K N -0.621 119.783 120.400 0.007 0.000 2.956 209 K HA 0.147 4.467 4.320 0.000 0.000 0.239 209 K C 0.217 176.836 176.600 0.032 0.000 1.253 209 K CA 0.027 56.325 56.287 0.017 0.000 0.963 209 K CB 0.662 33.167 32.500 0.009 0.000 1.297 209 K HN 0.139 nan 8.250 nan 0.000 0.566 210 G N 0.495 109.317 108.800 0.037 0.000 3.340 210 G HA2 0.058 4.018 3.960 0.000 0.000 0.240 210 G HA3 0.058 4.018 3.960 0.000 0.000 0.240 210 G C 0.751 175.695 174.900 0.073 0.000 1.327 210 G CA 0.462 45.591 45.100 0.048 0.000 1.170 210 G HN 0.567 nan 8.290 nan 0.000 0.520 211 G N 0.701 109.554 108.800 0.089 0.000 2.763 211 G HA2 0.210 4.171 3.960 0.000 0.000 0.205 211 G HA3 0.210 4.171 3.960 0.000 0.000 0.205 211 G C 1.013 176.053 174.900 0.233 0.000 1.137 211 G CA 0.137 45.316 45.100 0.132 0.000 0.839 211 G HN 0.570 nan 8.290 nan 0.000 0.596 212 I N -1.036 119.624 120.570 0.150 0.000 3.161 212 I HA 0.357 4.528 4.170 0.000 0.000 0.284 212 I C 0.154 176.402 176.117 0.219 0.000 1.252 212 I CA -0.599 60.755 61.300 0.091 0.000 1.374 212 I CB 0.344 38.331 38.000 -0.022 0.000 1.359 212 I HN 0.411 nan 8.210 nan 0.000 0.606 213 W N 3.269 124.573 121.300 0.006 0.000 3.153 213 W HA 0.650 5.310 4.660 0.000 0.000 0.316 213 W C -2.180 174.343 176.519 0.006 0.000 1.255 213 W CA -1.194 56.154 57.345 0.006 0.000 1.192 213 W CB 0.500 29.965 29.460 0.008 0.000 1.400 213 W HN 0.644 nan 8.180 nan 0.000 0.568 214 I N 2.582 123.265 120.570 0.188 0.000 2.603 214 I HA 0.506 4.676 4.170 0.000 0.000 0.300 214 I C 0.559 176.811 176.117 0.226 0.000 1.017 214 I CA -0.356 60.979 61.300 0.058 0.000 1.098 214 I CB 2.362 40.380 38.000 0.029 0.000 1.279 214 I HN 0.517 nan 8.210 nan 0.000 0.437 215 T N 2.405 117.040 114.554 0.134 0.000 2.882 215 T HA 0.259 4.609 4.350 0.000 0.000 0.287 215 T C 1.084 175.857 174.700 0.120 0.000 1.014 215 T CA -0.221 61.995 62.100 0.193 0.000 1.049 215 T CB 1.323 70.275 68.868 0.139 0.000 1.001 215 T HN 0.815 nan 8.240 nan 0.000 0.525 216 K N 1.408 121.874 120.400 0.111 0.000 2.015 216 K HA -0.305 4.015 4.320 0.000 0.000 0.216 216 K C 2.009 178.644 176.600 0.057 0.000 1.052 216 K CA 2.181 58.511 56.287 0.073 0.000 0.937 216 K CB -0.644 31.892 32.500 0.059 0.000 0.719 216 K HN 0.878 nan 8.250 nan 0.000 0.446 217 E N 1.126 121.358 120.200 0.054 0.000 2.110 217 E HA -0.213 4.137 4.350 0.000 0.000 0.193 217 E C 2.058 178.683 176.600 0.042 0.000 0.988 217 E CA 1.231 57.657 56.400 0.044 0.000 0.804 217 E CB -0.215 29.509 29.700 0.040 0.000 0.745 217 E HN 0.525 nan 8.360 nan 0.000 0.458 218 E N 0.182 120.405 120.200 0.038 0.000 2.118 218 E HA -0.189 4.161 4.350 0.000 0.000 0.195 218 E C 1.982 178.599 176.600 0.029 0.000 0.992 218 E CA 1.091 57.505 56.400 0.024 0.000 0.804 218 E CB -0.033 29.668 29.700 0.001 0.000 0.741 218 E HN 0.246 nan 8.360 nan 0.000 0.458 219 L N 1.193 122.438 121.223 0.036 0.000 2.023 219 L HA -0.122 4.218 4.340 0.000 0.000 0.205 219 L C 2.153 179.052 176.870 0.050 0.000 1.073 219 L CA 1.877 56.737 54.840 0.034 0.000 0.745 219 L CB -0.435 41.646 42.059 0.037 0.000 0.900 219 L HN 0.037 nan 8.230 nan 0.000 0.435 220 E N -0.655 119.575 120.200 0.050 0.000 2.160 220 E HA -0.275 4.075 4.350 0.000 0.000 0.195 220 E C 2.065 178.710 176.600 0.075 0.000 0.991 220 E CA 0.991 57.425 56.400 0.057 0.000 0.810 220 E CB -0.033 29.693 29.700 0.045 0.000 0.742 220 E HN 0.289 nan 8.360 nan 0.000 0.466 221 K N 0.408 120.849 120.400 0.069 0.000 2.062 221 K HA -0.081 4.239 4.320 0.000 0.000 0.205 221 K C 2.139 178.810 176.600 0.119 0.000 1.051 221 K CA 1.285 57.619 56.287 0.077 0.000 0.941 221 K CB -0.295 32.240 32.500 0.058 0.000 0.719 221 K HN 0.018 nan 8.250 nan 0.000 0.440 222 S N 0.220 115.992 115.700 0.120 0.000 2.423 222 S HA -0.045 4.425 4.470 0.000 0.000 0.231 222 S C 1.902 176.695 174.600 0.322 0.000 1.014 222 S CA 0.920 59.227 58.200 0.180 0.000 0.965 222 S CB 0.029 63.252 63.200 0.040 0.000 0.785 222 S HN 0.143 nan 8.310 nan 0.000 0.495 223 V N 2.057 122.112 119.914 0.234 0.000 2.346 223 V HA -0.074 4.046 4.120 0.000 0.000 0.244 223 V C 2.581 178.879 176.094 0.339 0.000 1.037 223 V CA 1.475 63.952 62.300 0.294 0.000 1.029 223 V CB -0.467 31.444 31.823 0.146 0.000 0.663 223 V HN 0.483 nan 8.190 nan 0.000 0.454 224 M N -0.197 119.522 119.600 0.200 0.000 2.108 224 M HA -0.196 4.284 4.480 0.000 0.000 0.261 224 M C 1.925 178.280 176.300 0.092 0.000 1.066 224 M CA 1.858 57.236 55.300 0.130 0.000 1.107 224 M CB -1.263 31.387 32.600 0.083 0.000 1.356 224 M HN 0.374 nan 8.290 nan 0.000 0.406 225 D N 0.083 120.557 120.400 0.122 0.000 2.092 225 D HA -0.113 4.527 4.640 0.000 0.000 0.193 225 D C 2.008 178.241 176.300 -0.111 0.000 0.994 225 D CA 1.813 55.841 54.000 0.046 0.000 0.828 225 D CB -0.573 40.316 40.800 0.149 0.000 0.963 225 D HN 0.449 nan 8.370 nan 0.000 0.450 226 G N 0.311 109.108 108.800 -0.006 0.000 2.422 226 G HA2 -0.200 3.760 3.960 0.000 0.000 0.218 226 G HA3 -0.200 3.760 3.960 0.000 0.000 0.218 226 G C 1.668 176.296 174.900 -0.453 0.000 1.146 226 G CA 1.108 46.025 45.100 -0.306 0.000 0.769 226 G HN 0.382 nan 8.290 nan 0.000 0.547 227 A N 0.951 123.597 122.820 -0.291 0.000 1.908 227 A HA -0.074 4.246 4.320 0.000 0.000 0.218 227 A C 2.313 179.679 177.584 -0.363 0.000 1.181 227 A CA 2.055 53.845 52.037 -0.411 0.000 0.627 227 A CB -0.381 18.572 19.000 -0.078 0.000 0.818 227 A HN 0.399 nan 8.150 nan 0.000 0.445 228 K N -0.430 119.820 120.400 -0.250 0.000 2.057 228 K HA -0.073 4.247 4.320 0.000 0.000 0.207 228 K C 2.361 178.797 176.600 -0.273 0.000 1.049 228 K CA 1.137 57.317 56.287 -0.179 0.000 0.931 228 K CB -0.363 32.094 32.500 -0.072 0.000 0.714 228 K HN 0.448 nan 8.250 nan 0.000 0.440 229 A N 1.181 123.729 122.820 -0.453 0.000 1.883 229 A HA -0.140 4.181 4.320 0.000 0.000 0.217 229 A C 2.414 179.781 177.584 -0.362 0.000 1.186 229 A CA 1.586 53.281 52.037 -0.569 0.000 0.624 229 A CB -0.741 17.433 19.000 -1.377 0.000 0.822 229 A HN 0.076 nan 8.150 nan 0.000 0.444 230 V N 0.096 119.798 119.914 -0.353 0.000 2.295 230 V HA -0.253 3.867 4.120 0.000 0.000 0.246 230 V C 2.528 178.459 176.094 -0.272 0.000 1.049 230 V CA 1.915 64.073 62.300 -0.237 0.000 1.024 230 V CB -0.813 30.794 31.823 -0.361 0.000 0.648 230 V HN 0.564 nan 8.190 nan 0.000 0.447 231 L N -0.140 120.830 121.223 -0.420 0.000 2.191 231 L HA -0.173 4.167 4.340 0.000 0.000 0.212 231 L C 2.330 178.965 176.870 -0.391 0.000 1.103 231 L CA 1.268 55.733 54.840 -0.624 0.000 0.769 231 L CB -0.683 40.556 42.059 -1.367 0.000 0.908 231 L HN 0.374 nan 8.230 nan 0.000 0.438 232 D N -0.613 119.686 120.400 -0.169 0.000 2.117 232 D HA -0.138 4.502 4.640 0.000 0.000 0.198 232 D C 2.166 178.451 176.300 -0.025 0.000 0.982 232 D CA 1.626 55.642 54.000 0.028 0.000 0.828 232 D CB -0.196 40.600 40.800 -0.006 0.000 0.967 232 D HN 0.241 nan 8.370 nan 0.000 0.464 233 T N 1.302 115.812 114.554 -0.073 0.000 2.708 233 T HA -0.071 4.279 4.350 0.000 0.000 0.266 233 T C 2.222 176.890 174.700 -0.053 0.000 1.037 233 T CA 0.527 62.594 62.100 -0.056 0.000 1.146 233 T CB -0.343 68.494 68.868 -0.051 0.000 0.865 233 T HN 0.113 nan 8.240 nan 0.000 0.435 234 L N 1.269 122.444 121.223 -0.080 0.000 2.191 234 L HA -0.052 4.288 4.340 0.000 0.000 0.212 234 L C 2.195 179.039 176.870 -0.043 0.000 1.103 234 L CA 1.268 56.064 54.840 -0.073 0.000 0.769 234 L CB -0.580 41.416 42.059 -0.105 0.000 0.908 234 L HN 0.429 nan 8.230 nan 0.000 0.438 235 T N -4.133 110.413 114.554 -0.014 0.000 3.269 235 T HA 0.226 4.576 4.350 0.000 0.000 0.269 235 T C 0.411 175.131 174.700 0.034 0.000 0.993 235 T CA -0.226 61.896 62.100 0.038 0.000 0.909 235 T CB 0.008 68.963 68.868 0.144 0.000 1.115 235 T HN 0.204 nan 8.240 nan 0.000 0.543 236 S N 0.000 115.704 115.700 0.006 0.000 2.498 236 S HA 0.000 4.470 4.470 0.000 0.000 0.327 236 S CA 0.000 58.200 58.200 0.001 0.000 1.107 236 S CB 0.000 63.194 63.200 -0.009 0.000 0.593 236 S HN 0.000 nan 8.310 nan 0.000 0.517