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 1gp1_1_A DATA FIRST_RESID 10 DATA SEQUENCE RTVYAFSARP LAGGEPFNLS SLRGKVLLIE NVASLXGTTV RDYTQMNDLQ DATA SEQUENCE RRLGPRGLVV LGFPCNQFGH QENAKNEEIL NCLKYVRPGG GFEPNFMLFE DATA SEQUENCE KCEVNGEKAH PLFAFLREVL PTPSDDATAL MTDPKFITWS PVCRNDVSWN DATA SEQUENCE FEKFLVGPDG VPVRRYSRRF LTIDIEPDIE TLLSQ 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.368 176.300 0.113 0.000 0.893 10 R CA 0.000 56.148 56.100 0.079 0.000 0.921 10 R CB 0.000 30.415 30.300 0.191 0.000 0.687 11 T N -2.289 112.180 114.554 -0.141 0.000 2.907 11 T HA 0.330 4.679 4.350 -0.000 0.000 0.290 11 T C 1.248 175.675 174.700 -0.456 0.000 1.066 11 T CA -0.242 61.721 62.100 -0.228 0.000 1.012 11 T CB 1.556 70.191 68.868 -0.388 0.000 1.184 11 T HN 0.313 nan 8.240 nan 0.000 0.522 12 V N -1.209 118.514 119.914 -0.319 0.000 3.241 12 V HA 0.048 4.168 4.120 -0.000 0.000 0.269 12 V C 1.654 177.665 176.094 -0.138 0.000 1.151 12 V CA 0.796 63.032 62.300 -0.106 0.000 1.158 12 V CB -1.968 29.852 31.823 -0.006 0.000 0.764 12 V HN 0.882 nan 8.190 nan 0.000 0.508 13 Y N 0.850 121.048 120.300 -0.168 0.000 2.616 13 Y HA 0.295 4.845 4.550 -0.000 0.000 0.296 13 Y C 2.560 178.260 175.900 -0.334 0.000 1.154 13 Y CA 0.283 58.275 58.100 -0.180 0.000 1.325 13 Y CB -0.206 38.172 38.460 -0.136 0.000 1.007 13 Y HN 0.365 nan 8.280 nan 0.000 0.542 14 A N -0.029 122.478 122.820 -0.523 0.000 2.119 14 A HA 0.054 4.373 4.320 -0.000 0.000 0.216 14 A C 0.275 177.405 177.584 -0.756 0.000 1.152 14 A CA 0.400 51.983 52.037 -0.758 0.000 0.708 14 A CB -0.578 17.721 19.000 -1.167 0.000 0.805 14 A HN 0.279 nan 8.150 nan 0.000 0.460 15 F N -0.137 119.774 119.950 -0.066 0.000 2.440 15 F HA 0.533 5.060 4.527 -0.000 0.000 0.328 15 F C 0.799 176.630 175.800 0.051 0.000 1.070 15 F CA -0.159 57.833 58.000 -0.013 0.000 1.011 15 F CB 1.720 40.707 39.000 -0.023 0.000 1.226 15 F HN 0.058 nan 8.300 nan 0.000 0.491 16 S N 0.544 116.431 115.700 0.311 0.000 2.595 16 S HA 0.958 5.427 4.470 -0.000 0.000 0.281 16 S C -1.129 173.692 174.600 0.368 0.000 1.117 16 S CA -0.850 57.511 58.200 0.269 0.000 0.873 16 S CB 1.900 65.203 63.200 0.172 0.000 1.108 16 S HN 1.004 nan 8.310 nan 0.000 0.477 17 A N 1.119 124.132 122.820 0.323 0.000 2.556 17 A HA 0.811 5.131 4.320 -0.000 0.000 0.294 17 A C -0.818 177.033 177.584 0.446 0.000 1.091 17 A CA -1.056 51.190 52.037 0.348 0.000 0.704 17 A CB 1.305 20.316 19.000 0.019 0.000 1.300 17 A HN 0.792 nan 8.150 nan 0.000 0.406 18 R N 1.104 121.853 120.500 0.416 0.000 2.308 18 R HA 0.415 4.755 4.340 -0.000 0.000 0.305 18 R C -2.573 173.940 176.300 0.355 0.000 1.053 18 R CA -1.589 54.717 56.100 0.343 0.000 0.957 18 R CB 0.708 31.145 30.300 0.227 0.000 1.022 18 R HN 0.429 nan 8.270 nan 0.000 0.461 19 P HA -0.049 nan 4.420 nan 0.000 0.271 19 P C 0.576 177.828 177.300 -0.081 0.000 1.216 19 P CA -0.261 62.770 63.100 -0.115 0.000 0.776 19 P CB 0.591 32.196 31.700 -0.159 0.000 0.881 20 L N 4.375 125.494 121.223 -0.173 0.000 2.013 20 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 20 L C 2.184 179.015 176.870 -0.065 0.000 1.073 20 L CA 2.526 57.311 54.840 -0.092 0.000 0.753 20 L CB -1.656 40.320 42.059 -0.140 0.000 0.890 20 L HN 0.456 nan 8.230 nan 0.000 0.432 21 A N -0.964 121.794 122.820 -0.103 0.000 2.186 21 A HA 0.321 4.640 4.320 -0.000 0.000 0.219 21 A C 1.203 178.766 177.584 -0.035 0.000 1.159 21 A CA 0.988 52.980 52.037 -0.075 0.000 0.680 21 A CB -1.194 17.749 19.000 -0.095 0.000 0.787 21 A HN 0.991 nan 8.150 nan 0.000 0.467 22 G N -2.179 106.611 108.800 -0.016 0.000 2.944 22 G HA2 0.480 4.440 3.960 -0.000 0.000 0.471 22 G HA3 0.480 4.440 3.960 -0.000 0.000 0.471 22 G C 0.114 175.031 174.900 0.029 0.000 1.388 22 G CA -0.373 44.732 45.100 0.009 0.000 1.087 22 G HN 1.248 nan 8.290 nan 0.000 0.596 23 G N 0.314 109.144 108.800 0.049 0.000 2.341 23 G HA2 0.481 4.441 3.960 -0.000 0.000 0.231 23 G HA3 0.481 4.441 3.960 -0.000 0.000 0.231 23 G C 0.426 175.369 174.900 0.072 0.000 1.206 23 G CA 1.350 46.494 45.100 0.073 0.000 0.865 23 G HN 1.787 nan 8.290 nan 0.000 0.515 24 E N 1.817 122.075 120.200 0.097 0.000 2.833 24 E HA -0.045 4.305 4.350 -0.000 0.000 0.214 24 E C -2.881 173.810 176.600 0.152 0.000 1.219 24 E CA -0.918 55.543 56.400 0.101 0.000 0.499 24 E CB 0.024 29.774 29.700 0.084 0.000 0.854 24 E HN 0.399 nan 8.360 nan 0.000 0.482 25 P HA 0.052 nan 4.420 nan 0.000 0.261 25 P C -0.475 176.974 177.300 0.248 0.000 1.203 25 P CA 0.190 63.420 63.100 0.216 0.000 0.767 25 P CB -0.200 31.601 31.700 0.168 0.000 0.785 26 F N 4.521 124.586 119.950 0.191 0.000 2.467 26 F HA 0.194 4.721 4.527 -0.000 0.000 0.362 26 F C 0.139 176.042 175.800 0.172 0.000 1.090 26 F CA -0.391 57.729 58.000 0.201 0.000 1.202 26 F CB 0.271 39.481 39.000 0.349 0.000 1.113 26 F HN 0.221 nan 8.300 nan 0.000 0.541 27 N N 6.434 124.930 118.700 -0.340 0.000 2.426 27 N HA 0.268 5.008 4.740 -0.000 0.000 0.275 27 N C 0.427 175.711 175.510 -0.377 0.000 1.019 27 N CA -0.675 52.243 53.050 -0.219 0.000 0.941 27 N CB 1.415 39.796 38.487 -0.177 0.000 1.123 27 N HN 0.542 nan 8.380 nan 0.000 0.486 28 L N 1.455 122.651 121.223 -0.046 0.000 2.265 28 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 28 L C 2.176 179.123 176.870 0.128 0.000 1.117 28 L CA 1.296 56.214 54.840 0.129 0.000 0.782 28 L CB -0.691 41.522 42.059 0.257 0.000 0.914 28 L HN 0.774 nan 8.230 nan 0.000 0.441 29 S N -2.489 113.210 115.700 -0.002 0.000 2.465 29 S HA -0.175 4.295 4.470 -0.000 0.000 0.241 29 S C 2.077 176.507 174.600 -0.284 0.000 1.000 29 S CA 1.227 59.288 58.200 -0.232 0.000 0.964 29 S CB -0.545 62.529 63.200 -0.210 0.000 0.763 29 S HN 0.408 nan 8.310 nan 0.000 0.512 30 S N 1.814 117.362 115.700 -0.252 0.000 2.399 30 S HA 0.140 4.610 4.470 -0.000 0.000 0.231 30 S C 1.370 175.916 174.600 -0.090 0.000 1.022 30 S CA 1.059 59.131 58.200 -0.213 0.000 0.983 30 S CB -0.412 62.574 63.200 -0.357 0.000 0.803 30 S HN 0.550 nan 8.310 nan 0.000 0.480 31 L N 0.878 122.098 121.223 -0.006 0.000 2.653 31 L HA 0.227 4.566 4.340 -0.000 0.000 0.231 31 L C 0.917 177.861 176.870 0.122 0.000 1.153 31 L CA -0.246 54.674 54.840 0.134 0.000 0.933 31 L CB -0.166 42.063 42.059 0.284 0.000 1.175 31 L HN 0.101 nan 8.230 nan 0.000 0.473 32 R N 1.068 121.525 120.500 -0.071 0.000 2.502 32 R HA 0.138 4.478 4.340 -0.000 0.000 0.292 32 R C 1.121 177.422 176.300 0.003 0.000 0.998 32 R CA 1.171 57.165 56.100 -0.177 0.000 1.056 32 R CB 0.207 30.175 30.300 -0.552 0.000 0.939 32 R HN 0.357 nan 8.270 nan 0.000 0.411 33 G N 2.862 111.734 108.800 0.120 0.000 2.175 33 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.244 33 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.244 33 G C -0.223 174.739 174.900 0.105 0.000 0.982 33 G CA 0.316 45.472 45.100 0.094 0.000 0.641 33 G HN 0.510 nan 8.290 nan 0.000 0.527 34 K N -0.074 120.408 120.400 0.137 0.000 2.095 34 K HA 0.704 5.024 4.320 -0.000 0.000 0.252 34 K C 0.351 177.029 176.600 0.131 0.000 0.977 34 K CA -0.584 55.779 56.287 0.127 0.000 0.900 34 K CB 1.793 34.379 32.500 0.144 0.000 1.060 34 K HN 0.102 nan 8.250 nan 0.000 0.449 35 V N 4.262 124.239 119.914 0.105 0.000 2.432 35 V HA 0.264 4.384 4.120 -0.000 0.000 0.271 35 V C -0.253 175.903 176.094 0.103 0.000 1.046 35 V CA -0.550 61.807 62.300 0.094 0.000 0.945 35 V CB 0.185 32.052 31.823 0.073 0.000 0.992 35 V HN 0.464 nan 8.190 nan 0.000 0.471 36 L N 5.874 127.163 121.223 0.109 0.000 2.309 36 L HA 0.550 4.890 4.340 -0.000 0.000 0.282 36 L C -0.539 176.395 176.870 0.108 0.000 1.036 36 L CA -0.736 54.177 54.840 0.122 0.000 0.806 36 L CB 1.648 43.789 42.059 0.138 0.000 1.220 36 L HN 0.435 nan 8.230 nan 0.000 0.429 37 L N 5.173 126.454 121.223 0.097 0.000 2.313 37 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 37 L C -0.442 176.504 176.870 0.126 0.000 1.028 37 L CA -0.006 54.888 54.840 0.091 0.000 0.871 37 L CB 0.672 42.744 42.059 0.021 0.000 1.242 37 L HN 0.365 nan 8.230 nan 0.000 0.434 38 I N 4.111 124.798 120.570 0.195 0.000 2.365 38 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 38 I C 0.098 176.426 176.117 0.351 0.000 1.004 38 I CA -0.207 61.260 61.300 0.278 0.000 1.311 38 I CB 0.908 39.008 38.000 0.167 0.000 1.401 38 I HN 0.547 nan 8.210 nan 0.000 0.491 39 E N 5.427 125.842 120.200 0.359 0.000 2.256 39 E HA 0.279 4.629 4.350 -0.000 0.000 0.267 39 E C -1.100 175.706 176.600 0.343 0.000 0.892 39 E CA -1.010 55.584 56.400 0.323 0.000 0.775 39 E CB 1.853 31.669 29.700 0.193 0.000 1.207 39 E HN 0.561 nan 8.360 nan 0.000 0.420 40 N N 1.373 120.184 118.700 0.186 0.000 2.434 40 N HA 0.246 4.986 4.740 -0.000 0.000 0.272 40 N C -0.339 174.931 175.510 -0.401 0.000 1.040 40 N CA -0.380 52.625 53.050 -0.076 0.000 0.956 40 N CB 1.609 39.933 38.487 -0.273 0.000 1.108 40 N HN 0.257 nan 8.380 nan 0.000 0.481 41 V N -1.370 118.308 119.914 -0.394 0.000 3.019 41 V HA 1.026 5.146 4.120 -0.000 0.000 0.317 41 V C -0.311 175.525 176.094 -0.430 0.000 1.094 41 V CA -1.051 60.801 62.300 -0.746 0.000 1.000 41 V CB 1.151 32.842 31.823 -0.219 0.000 1.060 41 V HN 1.029 nan 8.190 nan 0.000 0.443 42 A N 1.551 124.163 122.820 -0.347 0.000 2.572 42 A HA 0.751 5.071 4.320 -0.000 0.000 0.295 42 A C 0.319 178.047 177.584 0.239 0.000 1.072 42 A CA 0.043 52.075 52.037 -0.008 0.000 0.691 42 A CB 1.655 20.619 19.000 -0.060 0.000 1.291 42 A HN 1.054 nan 8.150 nan 0.000 0.404 43 S N 0.078 115.884 115.700 0.176 0.000 2.501 43 S HA 0.265 4.734 4.470 -0.000 0.000 0.220 43 S C 0.610 175.295 174.600 0.141 0.000 0.997 43 S CA 0.542 58.837 58.200 0.159 0.000 0.919 43 S CB -0.316 62.925 63.200 0.068 0.000 0.778 43 S HN 0.510 nan 8.310 nan 0.000 0.523 47 T N -1.024 113.553 114.554 0.038 0.000 3.145 47 T HA 0.220 4.570 4.350 -0.000 0.000 0.255 47 T C 1.966 176.469 174.700 -0.328 0.000 1.039 47 T CA 1.345 63.363 62.100 -0.137 0.000 0.928 47 T CB 0.172 68.933 68.868 -0.179 0.000 1.029 47 T HN -0.028 nan 8.240 nan 0.000 0.554 48 T N 2.339 116.835 114.554 -0.097 0.000 2.620 48 T HA -0.164 4.185 4.350 -0.000 0.000 0.267 48 T C 1.928 176.584 174.700 -0.074 0.000 1.044 48 T CA 1.937 64.043 62.100 0.011 0.000 1.161 48 T CB -0.605 68.379 68.868 0.193 0.000 0.862 48 T HN 0.326 nan 8.240 nan 0.000 0.438 49 V N 1.072 120.923 119.914 -0.105 0.000 2.379 49 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 49 V C 2.577 178.587 176.094 -0.139 0.000 1.044 49 V CA 1.750 63.965 62.300 -0.141 0.000 1.036 49 V CB -0.614 31.141 31.823 -0.114 0.000 0.664 49 V HN 0.367 nan 8.190 nan 0.000 0.453 50 R N 0.211 120.615 120.500 -0.159 0.000 2.070 50 R HA -0.186 4.153 4.340 -0.000 0.000 0.233 50 R C 2.037 178.221 176.300 -0.193 0.000 1.137 50 R CA 2.188 58.194 56.100 -0.156 0.000 0.945 50 R CB -0.358 29.842 30.300 -0.167 0.000 0.845 50 R HN 0.516 nan 8.270 nan 0.000 0.430 51 D N -0.746 119.440 120.400 -0.357 0.000 2.149 51 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 51 D C 1.767 177.937 176.300 -0.216 0.000 0.972 51 D CA 1.137 54.899 54.000 -0.398 0.000 0.835 51 D CB -0.188 40.088 40.800 -0.872 0.000 0.966 51 D HN 0.328 nan 8.370 nan 0.000 0.476 52 Y N 1.294 121.512 120.300 -0.138 0.000 2.242 52 Y HA -0.156 4.394 4.550 -0.000 0.000 0.291 52 Y C 2.753 178.758 175.900 0.175 0.000 1.137 52 Y CA 1.175 59.328 58.100 0.088 0.000 1.181 52 Y CB -0.172 38.199 38.460 -0.148 0.000 0.989 52 Y HN -0.098 nan 8.280 nan 0.000 0.527 53 T N -0.238 114.418 114.554 0.170 0.000 2.708 53 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 53 T C 1.722 176.511 174.700 0.147 0.000 1.037 53 T CA 1.720 63.938 62.100 0.197 0.000 1.146 53 T CB -0.240 68.662 68.868 0.056 0.000 0.865 53 T HN 0.405 nan 8.240 nan 0.000 0.435 54 Q N 0.065 119.893 119.800 0.046 0.000 2.119 54 Q HA 0.050 4.389 4.340 -0.000 0.000 0.201 54 Q C 2.361 178.359 176.000 -0.003 0.000 0.972 54 Q CA 1.141 56.946 55.803 0.002 0.000 0.847 54 Q CB -0.207 28.498 28.738 -0.055 0.000 0.903 54 Q HN 0.501 nan 8.270 nan 0.000 0.433 55 M N 0.149 119.738 119.600 -0.018 0.000 2.175 55 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 55 M C 1.467 177.756 176.300 -0.019 0.000 1.063 55 M CA 1.020 56.226 55.300 -0.156 0.000 1.119 55 M CB -0.100 32.227 32.600 -0.454 0.000 1.377 55 M HN 0.164 nan 8.290 nan 0.000 0.415 56 N N 0.689 119.543 118.700 0.257 0.000 2.120 56 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 56 N C 1.252 176.852 175.510 0.149 0.000 1.024 56 N CA 1.456 54.687 53.050 0.301 0.000 0.852 56 N CB -0.338 38.353 38.487 0.339 0.000 1.003 56 N HN 0.302 nan 8.380 nan 0.000 0.424 57 D N 0.246 120.711 120.400 0.110 0.000 2.084 57 D HA -0.088 4.552 4.640 -0.000 0.000 0.194 57 D C 1.952 178.274 176.300 0.036 0.000 0.990 57 D CA 0.952 54.989 54.000 0.062 0.000 0.826 57 D CB -0.233 40.593 40.800 0.043 0.000 0.971 57 D HN 0.171 nan 8.370 nan 0.000 0.453 58 L N -0.327 120.905 121.223 0.014 0.000 2.012 58 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 58 L C 2.661 179.538 176.870 0.011 0.000 1.073 58 L CA 1.398 56.236 54.840 -0.004 0.000 0.748 58 L CB -0.598 41.439 42.059 -0.037 0.000 0.891 58 L HN 0.197 nan 8.230 nan 0.000 0.431 59 Q N 0.342 120.155 119.800 0.022 0.000 2.084 59 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 59 Q C 2.233 178.266 176.000 0.056 0.000 0.978 59 Q CA 1.679 57.512 55.803 0.050 0.000 0.844 59 Q CB -0.158 28.648 28.738 0.114 0.000 0.898 59 Q HN 0.266 nan 8.270 nan 0.000 0.426 60 R N -0.551 119.983 120.500 0.057 0.000 2.066 60 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 60 R C 2.207 178.526 176.300 0.032 0.000 1.131 60 R CA 1.360 57.486 56.100 0.043 0.000 0.955 60 R CB -0.049 30.276 30.300 0.042 0.000 0.851 60 R HN 0.200 nan 8.270 nan 0.000 0.432 61 R N -0.032 120.485 120.500 0.028 0.000 2.073 61 R HA -0.015 4.325 4.340 -0.000 0.000 0.229 61 R C 2.176 178.489 176.300 0.022 0.000 1.120 61 R CA 1.207 57.319 56.100 0.021 0.000 0.967 61 R CB -0.085 30.226 30.300 0.017 0.000 0.862 61 R HN 0.289 nan 8.270 nan 0.000 0.436 62 L N -0.707 120.530 121.223 0.023 0.000 2.590 62 L HA 0.193 4.533 4.340 -0.000 0.000 0.227 62 L C 2.283 179.172 176.870 0.032 0.000 1.099 62 L CA 0.094 54.948 54.840 0.024 0.000 0.872 62 L CB -0.146 41.925 42.059 0.020 0.000 1.088 62 L HN 0.295 nan 8.230 nan 0.000 0.479 63 G N 2.265 111.087 108.800 0.037 0.000 2.599 63 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.219 63 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.219 63 G C -0.652 174.273 174.900 0.042 0.000 1.193 63 G CA 0.915 46.042 45.100 0.045 0.000 0.778 63 G HN 0.294 nan 8.290 nan 0.000 0.589 64 P HA -0.002 nan 4.420 nan 0.000 0.228 64 P C 1.468 178.786 177.300 0.031 0.000 1.151 64 P CA 0.745 63.864 63.100 0.031 0.000 0.770 64 P CB 0.072 31.787 31.700 0.025 0.000 0.786 65 R N -1.628 118.891 120.500 0.032 0.000 2.334 65 R HA 0.316 4.656 4.340 -0.000 0.000 0.216 65 R C 1.164 177.487 176.300 0.038 0.000 0.905 65 R CA 0.781 56.900 56.100 0.032 0.000 1.064 65 R CB 0.086 30.403 30.300 0.028 0.000 1.046 65 R HN 0.215 nan 8.270 nan 0.000 0.508 66 G N 0.897 109.724 108.800 0.045 0.000 2.273 66 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.162 66 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.162 66 G C -0.395 174.544 174.900 0.065 0.000 1.006 66 G CA -0.659 44.474 45.100 0.055 0.000 0.704 66 G HN 0.148 nan 8.290 nan 0.000 0.487 67 L N 2.148 123.405 121.223 0.058 0.000 2.331 67 L HA 0.740 5.079 4.340 -0.000 0.000 0.278 67 L C -0.051 176.863 176.870 0.073 0.000 1.106 67 L CA -0.601 54.275 54.840 0.061 0.000 0.824 67 L CB 1.625 43.709 42.059 0.041 0.000 1.142 67 L HN 0.076 nan 8.230 nan 0.000 0.443 68 V N 6.029 125.998 119.914 0.091 0.000 2.407 68 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 68 V C -0.346 175.804 176.094 0.092 0.000 1.018 68 V CA -0.799 61.566 62.300 0.107 0.000 0.842 68 V CB 1.709 33.623 31.823 0.153 0.000 0.996 68 V HN 0.531 nan 8.190 nan 0.000 0.426 69 V N 6.602 126.546 119.914 0.049 0.000 2.461 69 V HA 0.407 4.527 4.120 -0.000 0.000 0.275 69 V C -0.017 176.125 176.094 0.081 0.000 1.047 69 V CA -0.287 61.988 62.300 -0.042 0.000 0.955 69 V CB 1.216 32.844 31.823 -0.324 0.000 0.988 69 V HN 0.606 nan 8.190 nan 0.000 0.471 70 L N 4.826 126.135 121.223 0.143 0.000 2.325 70 L HA 0.737 5.077 4.340 -0.000 0.000 0.281 70 L C 0.521 177.568 176.870 0.294 0.000 1.004 70 L CA -0.306 54.705 54.840 0.285 0.000 0.823 70 L CB 1.798 44.080 42.059 0.372 0.000 1.236 70 L HN 0.760 nan 8.230 nan 0.000 0.415 71 G N 2.457 111.428 108.800 0.286 0.000 2.470 71 G HA2 0.675 4.635 3.960 -0.000 0.000 0.320 71 G HA3 0.675 4.635 3.960 -0.000 0.000 0.320 71 G C -1.299 173.684 174.900 0.139 0.000 1.245 71 G CA -0.221 45.066 45.100 0.312 0.000 0.935 71 G HN 0.330 nan 8.290 nan 0.000 0.476 72 F N 3.087 123.185 119.950 0.246 0.000 2.434 72 F HA 0.351 4.878 4.527 -0.000 0.000 0.367 72 F C -2.080 173.726 175.800 0.009 0.000 1.093 72 F CA -2.349 55.752 58.000 0.168 0.000 1.085 72 F CB 2.518 41.624 39.000 0.177 0.000 1.322 72 F HN 0.193 nan 8.300 nan 0.000 0.452 73 P HA 0.064 nan 4.420 nan 0.000 0.268 73 P C -0.600 176.706 177.300 0.010 0.000 1.204 73 P CA -0.048 63.090 63.100 0.062 0.000 0.768 73 P CB 0.990 32.736 31.700 0.078 0.000 0.842 74 C N 3.820 123.090 119.300 -0.050 0.000 2.701 74 C HA 0.369 4.829 4.460 -0.000 0.000 0.336 74 C C 0.903 175.833 174.990 -0.099 0.000 1.123 74 C CA -0.416 58.547 59.018 -0.092 0.000 1.326 74 C CB 0.523 28.184 27.740 -0.132 0.000 1.833 74 C HN 0.568 nan 8.230 nan 0.000 0.473 75 N N 1.859 120.485 118.700 -0.122 0.000 2.268 75 N HA 0.135 4.875 4.740 -0.000 0.000 0.204 75 N C 1.300 176.646 175.510 -0.273 0.000 1.124 75 N CA 0.334 53.316 53.050 -0.114 0.000 0.838 75 N CB 0.185 38.662 38.487 -0.017 0.000 0.994 75 N HN 0.826 nan 8.380 nan 0.000 0.489 76 Q N -0.992 118.502 119.800 -0.511 0.000 2.435 76 Q HA 0.072 4.412 4.340 -0.000 0.000 0.207 76 Q C -0.554 174.867 176.000 -0.966 0.000 0.956 76 Q CA 0.660 55.960 55.803 -0.838 0.000 0.917 76 Q CB 0.236 28.262 28.738 -1.187 0.000 0.997 76 Q HN 0.319 nan 8.270 nan 0.000 0.497 77 F N 0.052 119.758 119.950 -0.408 0.000 2.363 77 F HA 0.394 4.921 4.527 -0.000 0.000 0.366 77 F C 0.854 176.146 175.800 -0.846 0.000 1.083 77 F CA -0.579 56.970 58.000 -0.751 0.000 1.176 77 F CB 1.139 39.420 39.000 -1.198 0.000 1.432 77 F HN 0.013 nan 8.300 nan 0.000 0.482 78 G N 1.465 110.169 108.800 -0.160 0.000 2.160 78 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.251 78 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.251 78 G C 0.165 175.187 174.900 0.204 0.000 1.008 78 G CA 0.019 45.282 45.100 0.271 0.000 0.724 78 G HN 0.889 nan 8.290 nan 0.000 0.514 79 H N -1.294 117.803 119.070 0.045 0.000 2.626 79 H HA -0.182 4.374 4.556 -0.000 0.000 0.317 79 H C 1.330 176.669 175.328 0.018 0.000 1.140 79 H CA 1.495 57.552 56.048 0.015 0.000 1.134 79 H CB -1.394 28.398 29.762 0.051 0.000 1.486 79 H HN 0.783 nan 8.280 nan 0.000 0.417 80 Q N 0.318 120.146 119.800 0.048 0.000 2.282 80 Q HA 0.055 4.395 4.340 -0.000 0.000 0.205 80 Q C 0.667 176.698 176.000 0.052 0.000 0.915 80 Q CA 0.390 56.230 55.803 0.062 0.000 0.949 80 Q CB 0.480 29.240 28.738 0.037 0.000 1.035 80 Q HN 0.364 nan 8.270 nan 0.000 0.484 81 E N -0.081 120.146 120.200 0.046 0.000 4.230 81 E HA 0.121 4.471 4.350 -0.000 0.000 0.216 81 E C 0.104 176.735 176.600 0.051 0.000 1.132 81 E CA -0.026 56.400 56.400 0.043 0.000 1.404 81 E CB -0.166 29.544 29.700 0.017 0.000 1.183 81 E HN 0.018 nan 8.360 nan 0.000 0.431 82 N N 0.458 119.198 118.700 0.066 0.000 2.309 82 N HA -0.015 4.725 4.740 -0.000 0.000 0.182 82 N C 0.616 176.152 175.510 0.045 0.000 1.018 82 N CA 0.912 53.999 53.050 0.063 0.000 0.876 82 N CB -0.016 38.506 38.487 0.057 0.000 0.972 82 N HN 0.448 nan 8.380 nan 0.000 0.434 83 A N 1.222 124.067 122.820 0.042 0.000 2.455 83 A HA 0.086 4.405 4.320 -0.000 0.000 0.244 83 A C 0.577 178.181 177.584 0.032 0.000 1.099 83 A CA 0.062 52.120 52.037 0.035 0.000 0.786 83 A CB 0.315 19.337 19.000 0.036 0.000 1.051 83 A HN 0.184 nan 8.150 nan 0.000 0.508 84 K N 0.240 120.657 120.400 0.028 0.000 2.138 84 K HA 0.087 4.406 4.320 -0.000 0.000 0.251 84 K C 0.799 177.415 176.600 0.027 0.000 1.015 84 K CA -0.503 55.800 56.287 0.027 0.000 0.917 84 K CB 0.268 32.782 32.500 0.023 0.000 1.021 84 K HN 0.646 nan 8.250 nan 0.000 0.485 85 N N 1.878 120.595 118.700 0.028 0.000 2.132 85 N HA -0.199 4.540 4.740 -0.000 0.000 0.191 85 N C 1.046 176.564 175.510 0.013 0.000 1.015 85 N CA 1.623 54.688 53.050 0.024 0.000 0.864 85 N CB -0.061 38.444 38.487 0.030 0.000 1.006 85 N HN 0.481 nan 8.380 nan 0.000 0.430 86 E N 0.578 120.786 120.200 0.014 0.000 2.347 86 E HA -0.050 4.300 4.350 -0.000 0.000 0.196 86 E C 1.257 177.865 176.600 0.014 0.000 1.008 86 E CA 0.645 57.051 56.400 0.010 0.000 0.852 86 E CB 0.016 29.723 29.700 0.011 0.000 0.783 86 E HN 0.525 nan 8.360 nan 0.000 0.505 87 E N -0.365 119.847 120.200 0.019 0.000 2.431 87 E HA 0.135 4.485 4.350 -0.000 0.000 0.200 87 E C 1.630 178.248 176.600 0.030 0.000 0.995 87 E CA -0.122 56.295 56.400 0.028 0.000 0.915 87 E CB 0.201 29.918 29.700 0.028 0.000 0.930 87 E HN 0.208 nan 8.360 nan 0.000 0.496 88 I N 1.284 121.866 120.570 0.020 0.000 2.194 88 I HA -0.324 3.846 4.170 -0.000 0.000 0.246 88 I C 2.204 178.319 176.117 -0.004 0.000 1.093 88 I CA 1.315 62.624 61.300 0.015 0.000 1.355 88 I CB -0.226 37.787 38.000 0.021 0.000 1.046 88 I HN 0.145 nan 8.210 nan 0.000 0.413 89 L N 0.356 121.569 121.223 -0.017 0.000 2.131 89 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 89 L C 2.175 179.034 176.870 -0.019 0.000 1.092 89 L CA 1.057 55.870 54.840 -0.044 0.000 0.759 89 L CB -0.699 41.321 42.059 -0.064 0.000 0.903 89 L HN 0.337 nan 8.230 nan 0.000 0.435 90 N N -0.643 118.088 118.700 0.051 0.000 2.270 90 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 90 N C 1.882 177.488 175.510 0.160 0.000 1.016 90 N CA 1.168 54.322 53.050 0.174 0.000 0.870 90 N CB -0.507 38.111 38.487 0.219 0.000 0.979 90 N HN 0.324 nan 8.380 nan 0.000 0.431 91 C N 0.708 120.053 119.300 0.075 0.000 2.432 91 C HA 0.007 4.467 4.460 -0.000 0.000 0.277 91 C C 2.764 177.757 174.990 0.006 0.000 1.249 91 C CA 0.260 59.311 59.018 0.054 0.000 1.725 91 C CB -1.160 26.596 27.740 0.028 0.000 2.028 91 C HN 0.415 nan 8.230 nan 0.000 0.477 92 L N 0.539 121.735 121.223 -0.045 0.000 2.017 92 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 92 L C 2.628 179.479 176.870 -0.032 0.000 1.073 92 L CA 1.712 56.498 54.840 -0.090 0.000 0.745 92 L CB -0.643 41.351 42.059 -0.107 0.000 0.894 92 L HN 0.374 nan 8.230 nan 0.000 0.432 93 K N -0.606 119.726 120.400 -0.113 0.000 2.025 93 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 93 K C 1.898 178.254 176.600 -0.406 0.000 1.049 93 K CA 1.695 57.782 56.287 -0.333 0.000 0.933 93 K CB -0.070 32.045 32.500 -0.640 0.000 0.714 93 K HN 0.207 nan 8.250 nan 0.000 0.438 94 Y N -1.314 118.993 120.300 0.011 0.000 2.507 94 Y HA 0.056 4.606 4.550 -0.000 0.000 0.263 94 Y C 1.670 177.573 175.900 0.005 0.000 1.093 94 Y CA -0.185 57.920 58.100 0.007 0.000 1.285 94 Y CB 0.768 39.229 38.460 0.002 0.000 1.115 94 Y HN -0.144 nan 8.280 nan 0.000 0.533 95 V N -0.767 119.216 119.914 0.114 0.000 2.735 95 V HA 0.209 4.329 4.120 -0.000 0.000 0.234 95 V C 0.159 176.267 176.094 0.024 0.000 1.121 95 V CA 0.262 62.604 62.300 0.071 0.000 1.160 95 V CB 0.331 32.193 31.823 0.066 0.000 0.908 95 V HN 0.034 nan 8.190 nan 0.000 0.495 96 R N 0.427 120.921 120.500 -0.010 0.000 2.508 96 R HA 0.333 4.672 4.340 -0.000 0.000 0.283 96 R C -2.651 173.558 176.300 -0.152 0.000 1.120 96 R CA -1.179 54.887 56.100 -0.056 0.000 0.958 96 R CB 2.406 32.696 30.300 -0.017 0.000 1.215 96 R HN 0.046 nan 8.270 nan 0.000 0.427 97 P HA 0.038 nan 4.420 nan 0.000 0.226 97 P C 0.499 177.743 177.300 -0.093 0.000 1.153 97 P CA 1.409 64.366 63.100 -0.239 0.000 0.777 97 P CB 0.216 31.635 31.700 -0.469 0.000 0.794 98 G N -0.751 108.020 108.800 -0.048 0.000 2.645 98 G HA2 0.025 3.985 3.960 -0.000 0.000 0.239 98 G HA3 0.025 3.985 3.960 -0.000 0.000 0.239 98 G C 0.706 175.615 174.900 0.015 0.000 1.331 98 G CA 0.150 45.249 45.100 -0.003 0.000 0.890 98 G HN 0.657 nan 8.290 nan 0.000 0.572 99 G N -1.411 107.399 108.800 0.017 0.000 2.203 99 G HA2 0.339 4.299 3.960 -0.000 0.000 0.263 99 G HA3 0.339 4.299 3.960 -0.000 0.000 0.263 99 G C 1.935 176.830 174.900 -0.007 0.000 1.012 99 G CA 1.071 46.184 45.100 0.021 0.000 0.749 99 G HN 3.120 nan 8.290 nan 0.000 0.512 100 G N -1.787 106.963 108.800 -0.083 0.000 2.157 100 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.239 100 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.239 100 G C 0.433 175.261 174.900 -0.119 0.000 0.982 100 G CA 0.262 45.276 45.100 -0.143 0.000 0.650 100 G HN 1.834 nan 8.290 nan 0.000 0.527 101 F N 2.190 122.033 119.950 -0.178 0.000 2.623 101 F HA 0.421 4.948 4.527 -0.000 0.000 0.383 101 F C 0.619 176.308 175.800 -0.185 0.000 1.077 101 F CA 0.710 58.619 58.000 -0.153 0.000 1.268 101 F CB 0.472 39.385 39.000 -0.145 0.000 1.053 101 F HN 0.299 nan 8.300 nan 0.000 0.571 102 E N 7.333 126.941 120.200 -0.986 0.000 2.246 102 E HA 0.280 4.630 4.350 -0.000 0.000 0.266 102 E C -2.562 173.429 176.600 -1.014 0.000 0.880 102 E CA -2.354 53.583 56.400 -0.772 0.000 0.762 102 E CB 1.422 30.860 29.700 -0.436 0.000 1.180 102 E HN 0.301 nan 8.360 nan 0.000 0.416 103 P HA -0.042 nan 4.420 nan 0.000 0.264 103 P C -0.028 176.982 177.300 -0.482 0.000 1.193 103 P CA -0.058 62.710 63.100 -0.554 0.000 0.763 103 P CB 0.445 31.685 31.700 -0.767 0.000 0.810 104 N N 2.396 120.971 118.700 -0.207 0.000 2.383 104 N HA -0.008 4.732 4.740 -0.000 0.000 0.192 104 N C -0.093 175.415 175.510 -0.003 0.000 1.141 104 N CA 0.008 53.009 53.050 -0.082 0.000 0.851 104 N CB -0.707 37.788 38.487 0.013 0.000 0.976 104 N HN 0.391 nan 8.380 nan 0.000 0.465 105 F N -2.634 117.295 119.950 -0.036 0.000 2.654 105 F HA 0.602 5.129 4.527 -0.000 0.000 0.334 105 F C 0.265 175.992 175.800 -0.121 0.000 1.078 105 F CA -1.782 56.189 58.000 -0.049 0.000 0.986 105 F CB 0.847 39.851 39.000 0.006 0.000 1.362 105 F HN -0.317 nan 8.300 nan 0.000 0.498 106 M N 2.465 122.071 119.600 0.011 0.000 2.246 106 M HA 0.289 4.769 4.480 -0.000 0.000 0.350 106 M C -1.082 175.013 176.300 -0.341 0.000 1.406 106 M CA 0.189 55.292 55.300 -0.327 0.000 1.089 106 M CB 0.452 32.754 32.600 -0.496 0.000 1.782 106 M HN 0.492 nan 8.290 nan 0.000 0.457 107 L N 4.114 125.010 121.223 -0.545 0.000 2.334 107 L HA 0.609 4.949 4.340 -0.000 0.000 0.273 107 L C -0.833 175.566 176.870 -0.785 0.000 1.013 107 L CA -0.654 53.920 54.840 -0.442 0.000 0.816 107 L CB 1.402 43.324 42.059 -0.229 0.000 1.278 107 L HN 0.531 nan 8.230 nan 0.000 0.431 108 F N -0.416 119.359 119.950 -0.292 0.000 2.585 108 F HA 0.392 4.918 4.527 -0.000 0.000 0.350 108 F C 0.752 176.514 175.800 -0.063 0.000 1.074 108 F CA -0.819 57.049 58.000 -0.219 0.000 1.032 108 F CB 0.768 39.538 39.000 -0.383 0.000 1.330 108 F HN 0.383 nan 8.300 nan 0.000 0.495 109 E N 0.423 120.743 120.200 0.200 0.000 2.418 109 E HA 0.008 4.358 4.350 -0.000 0.000 0.261 109 E C -0.500 176.199 176.600 0.165 0.000 1.070 109 E CA -0.238 56.251 56.400 0.148 0.000 0.931 109 E CB 0.549 30.347 29.700 0.163 0.000 0.954 109 E HN 0.303 nan 8.360 nan 0.000 0.439 110 K N 1.522 121.989 120.400 0.112 0.000 2.436 110 K HA 0.031 4.351 4.320 -0.000 0.000 0.282 110 K C -1.084 175.575 176.600 0.098 0.000 1.044 110 K CA 0.045 56.387 56.287 0.092 0.000 1.028 110 K CB 0.160 32.695 32.500 0.058 0.000 0.919 110 K HN 0.374 nan 8.250 nan 0.000 0.474 111 C N 2.902 122.255 119.300 0.088 0.000 3.213 111 C HA 0.368 4.828 4.460 -0.000 0.000 0.319 111 C C -0.880 174.089 174.990 -0.034 0.000 1.386 111 C CA -0.878 58.186 59.018 0.077 0.000 1.494 111 C CB 1.904 29.768 27.740 0.208 0.000 1.905 111 C HN 0.800 nan 8.230 nan 0.000 0.456 112 E N 0.414 120.581 120.200 -0.054 0.000 2.277 112 E HA 0.341 4.691 4.350 -0.000 0.000 0.274 112 E C 0.278 176.749 176.600 -0.214 0.000 1.022 112 E CA -0.159 56.148 56.400 -0.155 0.000 0.853 112 E CB 1.484 31.110 29.700 -0.123 0.000 1.086 112 E HN 0.566 nan 8.360 nan 0.000 0.397 113 V N -0.670 119.042 119.914 -0.336 0.000 3.621 113 V HA 0.253 4.372 4.120 -0.000 0.000 0.263 113 V C 0.116 176.058 176.094 -0.253 0.000 1.272 113 V CA 0.160 62.230 62.300 -0.383 0.000 1.080 113 V CB 0.201 31.611 31.823 -0.689 0.000 0.816 113 V HN 0.367 nan 8.190 nan 0.000 0.451 114 N N 0.618 119.092 118.700 -0.376 0.000 2.292 114 N HA 0.749 5.489 4.740 -0.000 0.000 0.303 114 N C 0.123 175.458 175.510 -0.291 0.000 1.140 114 N CA 0.793 53.554 53.050 -0.482 0.000 0.788 114 N CB 1.800 39.483 38.487 -1.340 0.000 1.361 114 N HN 0.734 nan 8.380 nan 0.000 0.489 115 G N 0.496 109.259 108.800 -0.062 0.000 2.710 115 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.668 115 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.668 115 G C 0.663 175.596 174.900 0.054 0.000 1.320 115 G CA 0.204 45.374 45.100 0.117 0.000 0.860 115 G HN 0.700 nan 8.290 nan 0.000 0.538 116 E N -0.485 119.757 120.200 0.069 0.000 2.265 116 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 116 E C 1.490 178.100 176.600 0.018 0.000 0.996 116 E CA 1.299 57.723 56.400 0.040 0.000 0.832 116 E CB -0.032 29.693 29.700 0.042 0.000 0.756 116 E HN 0.309 nan 8.360 nan 0.000 0.491 117 K N 0.712 121.119 120.400 0.011 0.000 2.387 117 K HA 0.289 4.609 4.320 -0.000 0.000 0.198 117 K C 0.318 176.908 176.600 -0.016 0.000 1.022 117 K CA 0.319 56.604 56.287 -0.002 0.000 1.128 117 K CB 0.659 33.161 32.500 0.003 0.000 0.853 117 K HN 0.184 nan 8.250 nan 0.000 0.523 118 A N 1.272 124.076 122.820 -0.026 0.000 2.561 118 A HA -0.065 4.255 4.320 -0.000 0.000 0.234 118 A C -0.202 177.384 177.584 0.005 0.000 1.055 118 A CA 0.102 52.120 52.037 -0.031 0.000 0.756 118 A CB -0.402 18.572 19.000 -0.044 0.000 0.986 118 A HN 0.446 nan 8.150 nan 0.000 0.505 119 H N 3.227 122.268 119.070 -0.048 0.000 2.964 119 H HA 0.175 4.731 4.556 -0.000 0.000 0.328 119 H C -1.490 173.767 175.328 -0.117 0.000 1.030 119 H CA -0.645 55.378 56.048 -0.042 0.000 1.445 119 H CB 0.852 30.611 29.762 -0.005 0.000 1.449 119 H HN 0.363 nan 8.280 nan 0.000 0.581 120 P HA -0.191 nan 4.420 nan 0.000 0.221 120 P C 1.505 178.449 177.300 -0.593 0.000 1.145 120 P CA 0.584 63.543 63.100 -0.234 0.000 0.795 120 P CB 0.183 31.819 31.700 -0.107 0.000 0.775 121 L N -1.503 119.421 121.223 -0.498 0.000 2.046 121 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 121 L C 2.166 178.570 176.870 -0.777 0.000 1.077 121 L CA 1.879 56.134 54.840 -0.975 0.000 0.747 121 L CB -1.315 40.299 42.059 -0.741 0.000 0.896 121 L HN -0.199 nan 8.230 nan 0.000 0.432 122 F N -0.413 119.261 119.950 -0.460 0.000 2.293 122 F HA 0.033 4.560 4.527 -0.000 0.000 0.297 122 F C 2.450 178.060 175.800 -0.317 0.000 1.089 122 F CA 0.992 58.721 58.000 -0.452 0.000 1.377 122 F CB -0.816 37.949 39.000 -0.392 0.000 1.051 122 F HN 0.173 nan 8.300 nan 0.000 0.511 123 A N -0.357 122.405 122.820 -0.098 0.000 1.933 123 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 123 A C 2.048 179.578 177.584 -0.089 0.000 1.175 123 A CA 1.400 53.394 52.037 -0.072 0.000 0.628 123 A CB -1.245 17.730 19.000 -0.040 0.000 0.814 123 A HN 0.404 nan 8.150 nan 0.000 0.444 124 F N 0.466 120.225 119.950 -0.319 0.000 2.113 124 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 124 F C 1.866 177.516 175.800 -0.250 0.000 1.103 124 F CA 1.540 59.384 58.000 -0.261 0.000 1.248 124 F CB -0.371 38.407 39.000 -0.370 0.000 0.999 124 F HN 0.127 nan 8.300 nan 0.000 0.475 125 L N 0.017 120.922 121.223 -0.531 0.000 2.083 125 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 125 L C 2.657 179.326 176.870 -0.335 0.000 1.083 125 L CA 1.406 55.874 54.840 -0.619 0.000 0.752 125 L CB -0.544 40.883 42.059 -1.053 0.000 0.899 125 L HN 0.082 nan 8.230 nan 0.000 0.433 126 R N -0.508 119.856 120.500 -0.226 0.000 2.115 126 R HA -0.151 4.188 4.340 -0.000 0.000 0.226 126 R C 2.164 178.410 176.300 -0.090 0.000 1.100 126 R CA 1.077 57.149 56.100 -0.047 0.000 0.980 126 R CB -0.112 30.188 30.300 0.001 0.000 0.875 126 R HN 0.431 nan 8.270 nan 0.000 0.445 127 E N 0.996 121.101 120.200 -0.157 0.000 2.047 127 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 127 E C 1.918 178.401 176.600 -0.194 0.000 0.987 127 E CA 1.615 57.930 56.400 -0.141 0.000 0.799 127 E CB 0.154 29.785 29.700 -0.114 0.000 0.752 127 E HN 0.222 nan 8.360 nan 0.000 0.449 128 V N -0.649 119.047 119.914 -0.362 0.000 2.719 128 V HA 0.058 4.177 4.120 -0.000 0.000 0.252 128 V C 1.196 177.167 176.094 -0.205 0.000 1.065 128 V CA 0.827 62.929 62.300 -0.330 0.000 1.086 128 V CB -0.307 31.181 31.823 -0.558 0.000 0.700 128 V HN 0.115 nan 8.190 nan 0.000 0.467 129 L N 1.412 122.539 121.223 -0.162 0.000 2.495 129 L HA 0.446 4.785 4.340 -0.000 0.000 0.248 129 L C -1.943 174.898 176.870 -0.049 0.000 1.229 129 L CA -1.255 53.531 54.840 -0.090 0.000 0.942 129 L CB 1.735 43.767 42.059 -0.044 0.000 1.242 129 L HN 0.062 nan 8.230 nan 0.000 0.484 130 P HA -0.012 nan 4.420 nan 0.000 0.233 130 P C 0.363 177.648 177.300 -0.027 0.000 1.167 130 P CA 0.805 63.888 63.100 -0.029 0.000 0.770 130 P CB 0.147 31.829 31.700 -0.030 0.000 0.837 131 T N -4.773 109.745 114.554 -0.059 0.000 2.900 131 T HA 0.555 4.905 4.350 -0.000 0.000 0.303 131 T C -3.322 171.296 174.700 -0.136 0.000 1.142 131 T CA -2.680 59.378 62.100 -0.070 0.000 1.007 131 T CB 1.831 70.664 68.868 -0.059 0.000 1.156 131 T HN -0.312 nan 8.240 nan 0.000 0.490 132 P HA 0.161 nan 4.420 nan 0.000 0.271 132 P C 1.298 178.466 177.300 -0.220 0.000 1.220 132 P CA -0.211 62.747 63.100 -0.236 0.000 0.768 132 P CB 0.880 32.465 31.700 -0.192 0.000 0.848 133 S N 2.078 117.581 115.700 -0.329 0.000 2.407 133 S HA -0.234 4.236 4.470 -0.000 0.000 0.235 133 S C 1.124 175.620 174.600 -0.174 0.000 1.036 133 S CA 1.792 59.816 58.200 -0.293 0.000 1.013 133 S CB -0.849 62.069 63.200 -0.470 0.000 0.820 133 S HN 0.611 nan 8.310 nan 0.000 0.476 134 D N -0.541 119.774 120.400 -0.141 0.000 2.369 134 D HA 0.143 4.783 4.640 -0.000 0.000 0.211 134 D C -0.173 176.136 176.300 0.015 0.000 1.077 134 D CA 0.006 54.006 54.000 0.000 0.000 0.842 134 D CB 0.026 40.921 40.800 0.160 0.000 0.947 134 D HN 0.396 nan 8.370 nan 0.000 0.509 135 D N 0.232 120.617 120.400 -0.024 0.000 2.584 135 D HA 0.272 4.912 4.640 -0.000 0.000 0.238 135 D C 0.615 176.898 176.300 -0.029 0.000 1.302 135 D CA -0.397 53.596 54.000 -0.012 0.000 0.884 135 D CB 0.971 41.774 40.800 0.004 0.000 1.456 135 D HN -0.044 nan 8.370 nan 0.000 0.528 136 A N 1.486 124.288 122.820 -0.030 0.000 2.070 136 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 136 A C 1.729 179.304 177.584 -0.015 0.000 1.159 136 A CA 2.299 54.317 52.037 -0.033 0.000 0.656 136 A CB -0.105 18.878 19.000 -0.029 0.000 0.800 136 A HN 0.532 nan 8.150 nan 0.000 0.453 137 T N -4.507 110.044 114.554 -0.005 0.000 2.964 137 T HA 0.550 4.900 4.350 -0.000 0.000 0.250 137 T C 0.844 175.553 174.700 0.016 0.000 0.982 137 T CA 0.488 62.591 62.100 0.006 0.000 0.959 137 T CB -0.454 68.416 68.868 0.004 0.000 1.141 137 T HN 0.645 nan 8.240 nan 0.000 0.494 138 A N 1.770 124.598 122.820 0.013 0.000 2.488 138 A HA 0.642 4.962 4.320 -0.000 0.000 0.249 138 A C 0.909 178.518 177.584 0.041 0.000 1.083 138 A CA -0.397 51.653 52.037 0.021 0.000 0.768 138 A CB 0.152 19.157 19.000 0.008 0.000 1.017 138 A HN 0.392 nan 8.150 nan 0.000 0.496 139 L N 2.138 123.399 121.223 0.063 0.000 2.488 139 L HA 0.634 4.974 4.340 -0.000 0.000 0.186 139 L C 0.302 177.254 176.870 0.136 0.000 1.124 139 L CA 1.184 56.090 54.840 0.111 0.000 0.838 139 L CB -0.031 42.104 42.059 0.126 0.000 1.107 139 L HN 0.733 nan 8.230 nan 0.000 0.494 140 M N -2.375 117.291 119.600 0.110 0.000 2.414 140 M HA 0.285 4.764 4.480 -0.000 0.000 0.287 140 M C 0.421 176.759 176.300 0.064 0.000 1.181 140 M CA 0.085 55.451 55.300 0.109 0.000 0.933 140 M CB 1.871 34.588 32.600 0.195 0.000 1.732 140 M HN -0.014 nan 8.290 nan 0.000 0.486 141 T N 0.001 114.573 114.554 0.029 0.000 2.894 141 T HA 0.073 4.423 4.350 -0.000 0.000 0.258 141 T C -0.247 174.493 174.700 0.068 0.000 1.043 141 T CA 0.995 63.111 62.100 0.026 0.000 1.141 141 T CB -0.048 68.810 68.868 -0.016 0.000 0.873 141 T HN 0.652 nan 8.240 nan 0.000 0.449 142 D N 1.388 121.871 120.400 0.139 0.000 2.392 142 D HA 0.253 4.893 4.640 -0.000 0.000 0.228 142 D C -1.824 174.586 176.300 0.182 0.000 1.074 142 D CA -2.711 51.388 54.000 0.165 0.000 0.838 142 D CB 1.834 42.785 40.800 0.252 0.000 1.067 142 D HN -0.043 nan 8.370 nan 0.000 0.511 143 P HA -0.147 nan 4.420 nan 0.000 0.219 143 P C 0.847 178.146 177.300 -0.002 0.000 1.146 143 P CA 0.977 64.096 63.100 0.032 0.000 0.808 143 P CB 0.312 32.006 31.700 -0.009 0.000 0.779 144 K N -1.167 119.201 120.400 -0.053 0.000 2.280 144 K HA -0.078 4.241 4.320 -0.000 0.000 0.202 144 K C 1.721 178.217 176.600 -0.174 0.000 1.047 144 K CA 1.050 57.236 56.287 -0.168 0.000 0.942 144 K CB -0.526 31.795 32.500 -0.298 0.000 0.739 144 K HN 0.231 nan 8.250 nan 0.000 0.457 145 F N 0.867 120.850 119.950 0.054 0.000 2.780 145 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 145 F C 0.869 176.658 175.800 -0.018 0.000 1.146 145 F CA 0.034 58.109 58.000 0.125 0.000 1.428 145 F CB 0.150 39.341 39.000 0.320 0.000 1.115 145 F HN -0.140 nan 8.300 nan 0.000 0.583 146 I N 1.636 122.177 120.570 -0.048 0.000 2.260 146 I HA 0.025 4.195 4.170 -0.000 0.000 0.297 146 I C 0.890 176.639 176.117 -0.612 0.000 1.143 146 I CA 0.091 61.041 61.300 -0.584 0.000 1.271 146 I CB 0.131 37.809 38.000 -0.535 0.000 1.461 146 I HN 0.082 nan 8.210 nan 0.000 0.530 147 T N 0.141 114.383 114.554 -0.520 0.000 3.054 147 T HA 0.100 4.450 4.350 -0.000 0.000 0.255 147 T C -0.083 174.564 174.700 -0.089 0.000 1.035 147 T CA -0.559 61.426 62.100 -0.191 0.000 0.941 147 T CB -0.194 68.661 68.868 -0.021 0.000 1.026 147 T HN 0.582 nan 8.240 nan 0.000 0.533 148 W N 1.083 122.357 121.300 -0.044 0.000 2.485 148 W HA 0.830 5.489 4.660 -0.000 0.000 0.364 148 W C -0.423 176.087 176.519 -0.014 0.000 1.171 148 W CA -1.258 56.059 57.345 -0.047 0.000 1.304 148 W CB 0.871 30.283 29.460 -0.080 0.000 1.335 148 W HN 0.007 nan 8.180 nan 0.000 0.643 149 S N 1.626 117.443 115.700 0.195 0.000 2.536 149 S HA 0.642 5.112 4.470 -0.000 0.000 0.271 149 S C -2.722 171.976 174.600 0.164 0.000 1.134 149 S CA -1.354 56.913 58.200 0.111 0.000 0.897 149 S CB 1.244 64.465 63.200 0.036 0.000 1.094 149 S HN 0.380 nan 8.310 nan 0.000 0.473 150 P HA 0.342 nan 4.420 nan 0.000 0.276 150 P C -0.950 176.474 177.300 0.207 0.000 1.261 150 P CA -0.553 62.617 63.100 0.116 0.000 0.800 150 P CB 0.383 32.136 31.700 0.089 0.000 1.066 151 V N 0.928 120.917 119.914 0.126 0.000 2.407 151 V HA 0.258 4.378 4.120 -0.000 0.000 0.278 151 V C 0.327 176.527 176.094 0.178 0.000 1.037 151 V CA -0.097 62.317 62.300 0.189 0.000 0.900 151 V CB 0.599 32.435 31.823 0.021 0.000 0.983 151 V HN 0.651 nan 8.190 nan 0.000 0.459 152 C N 4.358 123.798 119.300 0.234 0.000 2.614 152 C HA 0.445 4.905 4.460 -0.000 0.000 0.320 152 C C 1.805 176.879 174.990 0.139 0.000 1.200 152 C CA -0.815 58.293 59.018 0.150 0.000 1.700 152 C CB 1.991 29.805 27.740 0.123 0.000 2.275 152 C HN 0.925 nan 8.230 nan 0.000 0.492 153 R N 1.368 121.924 120.500 0.093 0.000 2.193 153 R HA -0.111 4.228 4.340 -0.000 0.000 0.229 153 R C 0.927 177.272 176.300 0.076 0.000 1.110 153 R CA 1.531 57.678 56.100 0.078 0.000 0.988 153 R CB -0.175 30.154 30.300 0.049 0.000 0.871 153 R HN 0.821 nan 8.270 nan 0.000 0.458 154 N N -0.000 118.744 118.700 0.073 0.000 2.270 154 N HA -0.016 4.724 4.740 -0.000 0.000 0.198 154 N C -0.503 175.059 175.510 0.086 0.000 1.117 154 N CA -0.054 53.033 53.050 0.060 0.000 0.845 154 N CB 0.068 38.576 38.487 0.034 0.000 0.980 154 N HN -0.115 nan 8.380 nan 0.000 0.486 155 D N 0.615 121.089 120.400 0.123 0.000 2.419 155 D HA -0.004 4.636 4.640 -0.000 0.000 0.236 155 D C 0.098 176.465 176.300 0.111 0.000 1.165 155 D CA -0.036 54.040 54.000 0.127 0.000 0.882 155 D CB 1.268 42.228 40.800 0.267 0.000 1.201 155 D HN -0.137 nan 8.370 nan 0.000 0.443 156 V N 2.166 122.116 119.914 0.060 0.000 2.655 156 V HA -0.032 4.088 4.120 -0.000 0.000 0.300 156 V C 1.484 177.582 176.094 0.007 0.000 1.044 156 V CA 0.378 62.688 62.300 0.017 0.000 1.095 156 V CB 1.387 33.198 31.823 -0.020 0.000 0.952 156 V HN 0.546 nan 8.190 nan 0.000 0.485 157 S N 3.425 119.104 115.700 -0.035 0.000 2.421 157 S HA 0.103 4.573 4.470 -0.000 0.000 0.224 157 S C 0.213 174.869 174.600 0.093 0.000 1.035 157 S CA 0.491 58.765 58.200 0.123 0.000 0.953 157 S CB 0.241 63.503 63.200 0.103 0.000 0.810 157 S HN 0.823 nan 8.310 nan 0.000 0.497 158 W N 0.650 121.494 121.300 -0.760 0.000 2.874 158 W HA 0.276 4.936 4.660 -0.000 0.000 0.403 158 W C -1.769 174.107 176.519 -1.071 0.000 1.144 158 W CA -0.961 55.862 57.345 -0.869 0.000 1.175 158 W CB 0.656 29.942 29.460 -0.290 0.000 1.483 158 W HN -0.051 nan 8.180 nan 0.000 0.591 159 N N 0.916 119.049 118.700 -0.946 0.000 2.441 159 N HA 0.188 4.928 4.740 -0.000 0.000 0.251 159 N C -0.771 174.649 175.510 -0.149 0.000 1.242 159 N CA 0.850 53.560 53.050 -0.566 0.000 0.898 159 N CB -0.081 38.162 38.487 -0.408 0.000 1.100 159 N HN 0.322 nan 8.380 nan 0.000 0.443 160 F N -1.814 118.065 119.950 -0.119 0.000 2.985 160 F HA -0.234 4.293 4.527 -0.000 0.000 0.303 160 F C 0.187 175.962 175.800 -0.041 0.000 0.976 160 F CA 0.264 58.236 58.000 -0.047 0.000 1.013 160 F CB -1.805 37.182 39.000 -0.022 0.000 1.060 160 F HN 0.508 nan 8.300 nan 0.000 0.780 161 E N 0.417 120.628 120.200 0.019 0.000 2.349 161 E HA 0.523 4.873 4.350 -0.000 0.000 0.265 161 E C -0.089 176.531 176.600 0.034 0.000 1.064 161 E CA -0.708 55.680 56.400 -0.020 0.000 0.886 161 E CB 0.921 30.544 29.700 -0.129 0.000 1.036 161 E HN 0.103 nan 8.360 nan 0.000 0.413 162 K N 1.636 121.958 120.400 -0.130 0.000 2.397 162 K HA 0.440 4.760 4.320 -0.000 0.000 0.253 162 K C -1.373 175.153 176.600 -0.124 0.000 0.932 162 K CA -0.306 55.996 56.287 0.026 0.000 0.795 162 K CB 1.115 33.665 32.500 0.083 0.000 1.159 162 K HN 0.284 nan 8.250 nan 0.000 0.424 163 F N 2.539 122.564 119.950 0.123 0.000 2.507 163 F HA 0.436 4.963 4.527 -0.000 0.000 0.328 163 F C -0.815 175.024 175.800 0.064 0.000 1.136 163 F CA -1.042 56.986 58.000 0.047 0.000 0.930 163 F CB 1.405 40.372 39.000 -0.054 0.000 1.166 163 F HN 0.189 nan 8.300 nan 0.000 0.436 164 L N 5.080 126.441 121.223 0.230 0.000 2.280 164 L HA 0.734 5.074 4.340 -0.000 0.000 0.287 164 L C -1.075 175.860 176.870 0.107 0.000 1.023 164 L CA -0.581 54.362 54.840 0.172 0.000 0.819 164 L CB 1.275 43.466 42.059 0.220 0.000 1.212 164 L HN 0.374 nan 8.230 nan 0.000 0.420 165 V N 4.839 124.807 119.914 0.091 0.000 2.459 165 V HA 0.716 4.836 4.120 -0.000 0.000 0.295 165 V C 0.821 176.949 176.094 0.056 0.000 1.029 165 V CA -0.478 61.856 62.300 0.056 0.000 0.874 165 V CB 1.274 33.123 31.823 0.044 0.000 0.985 165 V HN 0.868 nan 8.190 nan 0.000 0.438 166 G N 4.145 112.969 108.800 0.039 0.000 2.599 166 G HA2 0.411 4.371 3.960 -0.000 0.000 0.264 166 G HA3 0.411 4.371 3.960 -0.000 0.000 0.264 166 G C -1.546 173.393 174.900 0.066 0.000 1.200 166 G CA -1.132 43.998 45.100 0.049 0.000 0.896 166 G HN 0.591 nan 8.290 nan 0.000 0.536 167 P HA -0.030 nan 4.420 nan 0.000 0.231 167 P C 0.517 177.909 177.300 0.152 0.000 1.158 167 P CA 1.105 64.272 63.100 0.113 0.000 0.763 167 P CB 0.194 31.945 31.700 0.086 0.000 0.805 168 D N -2.640 117.831 120.400 0.119 0.000 2.395 168 D HA 0.205 4.845 4.640 -0.000 0.000 0.213 168 D C 1.396 177.726 176.300 0.050 0.000 1.110 168 D CA 0.067 54.154 54.000 0.145 0.000 0.835 168 D CB -0.459 40.392 40.800 0.085 0.000 0.965 168 D HN 0.176 nan 8.370 nan 0.000 0.505 169 G N -0.497 108.230 108.800 -0.122 0.000 2.213 169 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.236 169 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.236 169 G C 0.064 174.812 174.900 -0.253 0.000 0.991 169 G CA 0.069 44.794 45.100 -0.625 0.000 0.629 169 G HN 0.358 nan 8.290 nan 0.000 0.517 170 V N 3.277 123.141 119.914 -0.083 0.000 2.406 170 V HA 0.448 4.568 4.120 -0.000 0.000 0.272 170 V C -1.684 174.413 176.094 0.005 0.000 1.043 170 V CA -1.524 60.774 62.300 -0.003 0.000 0.915 170 V CB 1.327 33.155 31.823 0.009 0.000 0.988 170 V HN 0.157 nan 8.190 nan 0.000 0.466 171 P HA 0.110 nan 4.420 nan 0.000 0.267 171 P C 0.515 177.797 177.300 -0.029 0.000 1.209 171 P CA 0.309 63.400 63.100 -0.015 0.000 0.763 171 P CB 1.104 32.755 31.700 -0.083 0.000 0.816 172 V N 3.782 123.687 119.914 -0.014 0.000 2.690 172 V HA 0.177 4.297 4.120 -0.000 0.000 0.240 172 V C 1.164 177.204 176.094 -0.090 0.000 1.078 172 V CA 1.168 63.448 62.300 -0.033 0.000 1.102 172 V CB -0.231 31.592 31.823 -0.000 0.000 0.800 172 V HN 0.512 nan 8.190 nan 0.000 0.479 173 R N -0.409 120.017 120.500 -0.123 0.000 2.710 173 R HA 0.553 4.893 4.340 -0.000 0.000 0.270 173 R C -1.139 174.891 176.300 -0.450 0.000 1.021 173 R CA -0.693 55.204 56.100 -0.338 0.000 0.889 173 R CB 2.054 32.073 30.300 -0.468 0.000 1.243 173 R HN 0.180 nan 8.270 nan 0.000 0.464 174 R N 2.471 122.565 120.500 -0.678 0.000 2.561 174 R HA 0.388 4.728 4.340 -0.000 0.000 0.297 174 R C -1.726 174.051 176.300 -0.871 0.000 0.969 174 R CA -0.461 55.215 56.100 -0.707 0.000 0.879 174 R CB 1.066 31.042 30.300 -0.540 0.000 1.178 174 R HN 0.523 nan 8.270 nan 0.000 0.445 175 Y N 1.234 121.238 120.300 -0.492 0.000 2.429 175 Y HA 0.293 4.842 4.550 -0.000 0.000 0.342 175 Y C 0.707 176.429 175.900 -0.296 0.000 1.004 175 Y CA -0.678 57.146 58.100 -0.461 0.000 1.075 175 Y CB 2.103 40.213 38.460 -0.583 0.000 1.214 175 Y HN 0.686 nan 8.280 nan 0.000 0.455 176 S N 2.321 118.009 115.700 -0.020 0.000 2.617 176 S HA 0.126 4.596 4.470 -0.000 0.000 0.259 176 S C 1.359 176.005 174.600 0.077 0.000 1.301 176 S CA -0.381 57.824 58.200 0.007 0.000 0.984 176 S CB 0.649 63.868 63.200 0.033 0.000 0.954 176 S HN 0.891 nan 8.310 nan 0.000 0.572 177 R N 0.609 121.147 120.500 0.063 0.000 2.200 177 R HA -0.074 4.265 4.340 -0.000 0.000 0.234 177 R C 1.823 178.187 176.300 0.107 0.000 1.127 177 R CA 1.408 57.575 56.100 0.113 0.000 0.989 177 R CB -0.415 29.964 30.300 0.132 0.000 0.869 177 R HN 0.639 nan 8.270 nan 0.000 0.459 178 R N -0.446 120.111 120.500 0.096 0.000 2.254 178 R HA 0.118 4.458 4.340 -0.000 0.000 0.195 178 R C -0.067 176.287 176.300 0.090 0.000 0.957 178 R CA -0.118 56.024 56.100 0.070 0.000 1.024 178 R CB 0.087 30.413 30.300 0.044 0.000 0.952 178 R HN 0.082 nan 8.270 nan 0.000 0.484 179 F N 1.667 121.614 119.950 -0.004 0.000 2.467 179 F HA 0.108 4.634 4.527 -0.000 0.000 0.362 179 F C 0.036 175.796 175.800 -0.066 0.000 1.090 179 F CA -0.696 57.294 58.000 -0.015 0.000 1.202 179 F CB 0.521 39.549 39.000 0.046 0.000 1.113 179 F HN -0.221 nan 8.300 nan 0.000 0.541 180 L N 5.656 126.700 121.223 -0.298 0.000 2.416 180 L HA 0.105 4.445 4.340 -0.000 0.000 0.272 180 L C 1.511 178.320 176.870 -0.102 0.000 1.161 180 L CA 0.551 55.275 54.840 -0.192 0.000 0.845 180 L CB 0.774 42.675 42.059 -0.263 0.000 1.119 180 L HN 0.729 nan 8.230 nan 0.000 0.464 181 T N 2.700 117.208 114.554 -0.078 0.000 2.699 181 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 181 T C 1.736 176.382 174.700 -0.090 0.000 1.036 181 T CA 1.559 63.613 62.100 -0.078 0.000 1.147 181 T CB -0.235 68.576 68.868 -0.096 0.000 0.862 181 T HN 0.480 nan 8.240 nan 0.000 0.446 182 I N 1.510 122.020 120.570 -0.100 0.000 2.614 182 I HA -0.072 4.098 4.170 -0.000 0.000 0.258 182 I C 1.034 177.096 176.117 -0.093 0.000 1.189 182 I CA 1.060 62.308 61.300 -0.087 0.000 1.462 182 I CB -0.307 37.644 38.000 -0.080 0.000 1.092 182 I HN 0.043 nan 8.210 nan 0.000 0.442 183 D N -0.326 119.990 120.400 -0.140 0.000 2.340 183 D HA 0.114 4.754 4.640 -0.000 0.000 0.220 183 D C 2.031 178.368 176.300 0.062 0.000 1.039 183 D CA 0.564 54.481 54.000 -0.139 0.000 0.866 183 D CB 0.072 40.582 40.800 -0.484 0.000 0.913 183 D HN 0.372 nan 8.370 nan 0.000 0.523 184 I N 0.131 120.707 120.570 0.009 0.000 3.419 184 I HA -0.058 4.112 4.170 -0.000 0.000 0.286 184 I C 2.190 178.279 176.117 -0.046 0.000 1.268 184 I CA 0.230 61.461 61.300 -0.115 0.000 1.414 184 I CB 0.069 37.856 38.000 -0.356 0.000 1.074 184 I HN -0.045 nan 8.210 nan 0.000 0.457 185 E N 2.086 122.270 120.200 -0.026 0.000 2.065 185 E HA -0.240 4.109 4.350 -0.000 0.000 0.201 185 E C -0.578 176.029 176.600 0.012 0.000 1.016 185 E CA 1.981 58.376 56.400 -0.010 0.000 0.818 185 E CB -0.667 29.025 29.700 -0.014 0.000 0.749 185 E HN 0.290 nan 8.360 nan 0.000 0.453 186 P HA -0.168 nan 4.420 nan 0.000 0.216 186 P C 0.643 177.972 177.300 0.048 0.000 1.153 186 P CA 1.547 64.668 63.100 0.036 0.000 0.858 186 P CB -0.116 31.611 31.700 0.045 0.000 0.789 187 D N -0.946 119.494 120.400 0.066 0.000 2.219 187 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 187 D C 2.061 178.398 176.300 0.062 0.000 0.970 187 D CA 0.777 54.825 54.000 0.080 0.000 0.851 187 D CB -0.394 40.491 40.800 0.142 0.000 0.943 187 D HN 0.237 nan 8.370 nan 0.000 0.488 188 I N 1.162 121.758 120.570 0.044 0.000 2.233 188 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 188 I C 2.281 178.419 176.117 0.035 0.000 1.093 188 I CA 0.777 62.100 61.300 0.038 0.000 1.380 188 I CB -0.120 37.892 38.000 0.021 0.000 1.067 188 I HN -0.141 nan 8.210 nan 0.000 0.413 189 E N 0.721 120.939 120.200 0.029 0.000 2.097 189 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 189 E C 2.190 178.808 176.600 0.030 0.000 1.000 189 E CA 1.863 58.279 56.400 0.027 0.000 0.804 189 E CB -0.749 28.965 29.700 0.023 0.000 0.740 189 E HN 0.455 nan 8.360 nan 0.000 0.454 190 T N 1.867 116.441 114.554 0.033 0.000 2.720 190 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 190 T C 2.056 176.776 174.700 0.033 0.000 1.037 190 T CA 0.986 63.106 62.100 0.032 0.000 1.144 190 T CB -0.179 68.710 68.868 0.035 0.000 0.864 190 T HN 0.120 nan 8.240 nan 0.000 0.444 191 L N -0.113 121.133 121.223 0.039 0.000 2.240 191 L HA 0.067 4.407 4.340 -0.000 0.000 0.211 191 L C 2.213 179.107 176.870 0.040 0.000 1.106 191 L CA 0.274 55.138 54.840 0.040 0.000 0.793 191 L CB -0.350 41.737 42.059 0.048 0.000 0.927 191 L HN 0.204 nan 8.230 nan 0.000 0.446 192 L N -0.681 120.564 121.223 0.038 0.000 2.156 192 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 192 L C 2.489 179.378 176.870 0.031 0.000 1.095 192 L CA 1.464 56.326 54.840 0.036 0.000 0.770 192 L CB -0.602 41.477 42.059 0.033 0.000 0.914 192 L HN 0.045 nan 8.230 nan 0.000 0.439 193 S N -1.036 114.681 115.700 0.028 0.000 2.561 193 S HA 0.183 4.652 4.470 -0.000 0.000 0.225 193 S C 0.754 175.369 174.600 0.024 0.000 0.977 193 S CA 0.827 59.041 58.200 0.024 0.000 0.926 193 S CB -0.118 63.095 63.200 0.022 0.000 0.769 193 S HN 0.641 nan 8.310 nan 0.000 0.533 194 Q N 0.000 119.816 119.800 0.027 0.000 2.315 194 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 194 Q CA 0.000 nan 55.803 nan 0.000 1.022 194 Q CB 0.000 nan 28.738 nan 0.000 1.108 194 Q HN 0.000 nan 8.270 nan 0.000 0.481