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 2yqz_1_A DATA FIRST_RESID 2 DATA SEQUENCE SSALLRAAYA YDRLRAHPPE VAGQIATAXA SAVHPKGEEP VFLELGVGTG DATA SEQUENCE RIALPLIARG YRYIALDADA AXLEVFRQKI AGVDRKVQVV QADARAIPLP DATA SEQUENCE DESVHGVIVV HLWHLVPDWP KVLAEAIRVL KPGGALLEGW DQAEASPEWT DATA SEQUENCE LQERWRAFAA EEGFPVERGL HAKRLKEVEE ALRRLGLKPR TREVARWREE DATA SEQUENCE RTPREALEAL SERLYSFTQG LPEPVHARVX ERLWAWAEAE LGDLDRPFPV DATA SEQUENCE EKRFLLRVSR L 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.618 174.600 0.029 0.000 1.055 2 S CA 0.000 58.211 58.200 0.019 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 S N 2.337 118.056 115.700 0.031 0.000 2.402 3 S HA 0.218 4.687 4.470 -0.000 0.000 0.229 3 S C 1.901 176.530 174.600 0.049 0.000 1.021 3 S CA 1.319 59.545 58.200 0.043 0.000 0.974 3 S CB -0.614 62.605 63.200 0.033 0.000 0.800 3 S HN 0.867 nan 8.310 nan 0.000 0.484 4 A N 2.127 124.969 122.820 0.037 0.000 1.898 4 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 4 A C 2.294 179.901 177.584 0.040 0.000 1.181 4 A CA 1.314 53.373 52.037 0.037 0.000 0.620 4 A CB -0.820 18.196 19.000 0.027 0.000 0.819 4 A HN 0.533 nan 8.150 nan 0.000 0.442 5 L N -1.206 120.035 121.223 0.030 0.000 2.093 5 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 5 L C 2.505 179.392 176.870 0.027 0.000 1.085 5 L CA 0.873 55.724 54.840 0.019 0.000 0.755 5 L CB -0.438 41.625 42.059 0.006 0.000 0.904 5 L HN 0.419 nan 8.230 nan 0.000 0.435 6 L N -0.189 121.064 121.223 0.050 0.000 2.093 6 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 6 L C 2.714 179.685 176.870 0.168 0.000 1.085 6 L CA 1.578 56.465 54.840 0.078 0.000 0.755 6 L CB -0.485 41.643 42.059 0.114 0.000 0.904 6 L HN 0.078 nan 8.230 nan 0.000 0.435 7 R N -0.647 119.947 120.500 0.158 0.000 2.081 7 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 7 R C 2.208 178.601 176.300 0.154 0.000 1.131 7 R CA 1.249 57.457 56.100 0.181 0.000 0.960 7 R CB -0.661 29.701 30.300 0.103 0.000 0.856 7 R HN 0.488 nan 8.270 nan 0.000 0.436 8 A N 1.351 124.227 122.820 0.094 0.000 1.933 8 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 8 A C 2.376 180.012 177.584 0.086 0.000 1.175 8 A CA 1.673 53.754 52.037 0.073 0.000 0.628 8 A CB -0.528 18.494 19.000 0.037 0.000 0.814 8 A HN 0.399 nan 8.150 nan 0.000 0.444 9 A N -1.399 121.450 122.820 0.049 0.000 1.877 9 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 9 A C 2.087 179.691 177.584 0.034 0.000 1.186 9 A CA 1.582 53.618 52.037 -0.001 0.000 0.620 9 A CB -0.802 18.128 19.000 -0.117 0.000 0.822 9 A HN 0.553 nan 8.150 nan 0.000 0.443 10 Y N -0.064 120.279 120.300 0.072 0.000 2.242 10 Y HA -0.052 4.497 4.550 -0.000 0.000 0.291 10 Y C 2.887 178.814 175.900 0.046 0.000 1.137 10 Y CA 0.722 58.856 58.100 0.056 0.000 1.181 10 Y CB -0.518 37.961 38.460 0.031 0.000 0.989 10 Y HN 0.338 nan 8.280 nan 0.000 0.527 11 A N -0.672 122.267 122.820 0.198 0.000 1.877 11 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 11 A C 2.080 179.697 177.584 0.055 0.000 1.186 11 A CA 1.744 53.845 52.037 0.106 0.000 0.620 11 A CB -1.429 17.622 19.000 0.085 0.000 0.822 11 A HN 0.590 nan 8.150 nan 0.000 0.443 12 Y N 0.891 121.182 120.300 -0.016 0.000 2.128 12 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 12 Y C 2.026 177.910 175.900 -0.028 0.000 1.154 12 Y CA 2.295 60.365 58.100 -0.051 0.000 1.149 12 Y CB -0.538 37.889 38.460 -0.055 0.000 0.976 12 Y HN 0.454 nan 8.280 nan 0.000 0.505 13 D N -0.658 119.753 120.400 0.019 0.000 2.123 13 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 13 D C 2.175 178.416 176.300 -0.099 0.000 0.992 13 D CA 1.690 55.665 54.000 -0.042 0.000 0.833 13 D CB -0.059 40.792 40.800 0.086 0.000 0.954 13 D HN 0.351 nan 8.370 nan 0.000 0.455 14 R N -0.281 120.199 120.500 -0.033 0.000 2.075 14 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 14 R C 2.289 178.542 176.300 -0.079 0.000 1.126 14 R CA 0.540 56.621 56.100 -0.032 0.000 0.963 14 R CB -0.232 30.073 30.300 0.010 0.000 0.858 14 R HN 0.279 nan 8.270 nan 0.000 0.435 15 L N 0.549 121.694 121.223 -0.131 0.000 2.046 15 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 15 L C 2.088 178.863 176.870 -0.158 0.000 1.077 15 L CA 1.597 56.352 54.840 -0.141 0.000 0.747 15 L CB -0.625 41.306 42.059 -0.213 0.000 0.896 15 L HN 0.191 nan 8.230 nan 0.000 0.432 16 R N -0.082 120.229 120.500 -0.315 0.000 2.310 16 R HA 0.222 4.562 4.340 -0.000 0.000 0.202 16 R C 0.674 176.826 176.300 -0.247 0.000 0.933 16 R CA 0.087 56.019 56.100 -0.281 0.000 1.054 16 R CB -0.360 29.629 30.300 -0.518 0.000 0.985 16 R HN 0.175 nan 8.270 nan 0.000 0.489 17 A N 1.324 124.034 122.820 -0.183 0.000 2.561 17 A HA -0.027 4.293 4.320 -0.000 0.000 0.234 17 A C -0.450 177.082 177.584 -0.085 0.000 1.055 17 A CA 0.384 52.333 52.037 -0.146 0.000 0.756 17 A CB -0.175 18.781 19.000 -0.073 0.000 0.986 17 A HN 0.368 nan 8.150 nan 0.000 0.505 18 H N 1.716 120.717 119.070 -0.114 0.000 2.472 18 H HA 0.367 4.922 4.556 -0.000 0.000 0.335 18 H C -2.131 173.036 175.328 -0.270 0.000 1.136 18 H CA -1.852 54.056 56.048 -0.234 0.000 1.264 18 H CB 0.889 30.434 29.762 -0.361 0.000 1.486 18 H HN 0.481 nan 8.280 nan 0.000 0.517 19 P HA -0.053 nan 4.420 nan 0.000 0.267 19 P C -2.006 175.156 177.300 -0.230 0.000 1.200 19 P CA -0.966 61.998 63.100 -0.226 0.000 0.772 19 P CB 0.521 32.021 31.700 -0.333 0.000 0.855 20 P HA -0.238 nan 4.420 nan 0.000 0.216 20 P C 1.387 178.588 177.300 -0.166 0.000 1.157 20 P CA 1.468 64.487 63.100 -0.135 0.000 0.880 20 P CB 0.049 31.694 31.700 -0.092 0.000 0.791 21 E N -0.584 119.512 120.200 -0.173 0.000 2.077 21 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 21 E C 1.790 178.244 176.600 -0.244 0.000 0.989 21 E CA 1.092 57.391 56.400 -0.168 0.000 0.800 21 E CB -0.301 29.319 29.700 -0.133 0.000 0.746 21 E HN -0.039 nan 8.360 nan 0.000 0.452 22 V N 1.043 120.722 119.914 -0.392 0.000 2.358 22 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 22 V C 2.420 178.209 176.094 -0.508 0.000 1.047 22 V CA 1.690 63.641 62.300 -0.582 0.000 1.035 22 V CB -0.734 30.406 31.823 -1.138 0.000 0.658 22 V HN 0.424 nan 8.190 nan 0.000 0.452 23 A N 0.649 123.234 122.820 -0.392 0.000 1.908 23 A HA -0.146 4.173 4.320 -0.000 0.000 0.218 23 A C 2.425 179.872 177.584 -0.230 0.000 1.181 23 A CA 2.140 54.010 52.037 -0.279 0.000 0.627 23 A CB -1.296 17.603 19.000 -0.169 0.000 0.818 23 A HN 0.530 nan 8.150 nan 0.000 0.445 24 G N -1.089 107.599 108.800 -0.187 0.000 2.421 24 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 24 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 24 G C 1.613 176.436 174.900 -0.128 0.000 1.171 24 G CA 1.019 46.041 45.100 -0.130 0.000 0.775 24 G HN 0.631 nan 8.290 nan 0.000 0.543 25 Q N -0.286 119.419 119.800 -0.157 0.000 2.096 25 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 25 Q C 2.624 178.544 176.000 -0.134 0.000 0.982 25 Q CA 1.174 56.901 55.803 -0.127 0.000 0.850 25 Q CB -0.206 28.450 28.738 -0.135 0.000 0.901 25 Q HN 0.555 nan 8.270 nan 0.000 0.422 26 I N 0.249 120.683 120.570 -0.225 0.000 2.202 26 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 26 I C 2.409 178.431 176.117 -0.158 0.000 1.091 26 I CA 0.895 62.051 61.300 -0.240 0.000 1.368 26 I CB -0.390 37.299 38.000 -0.518 0.000 1.058 26 I HN 0.152 nan 8.210 nan 0.000 0.410 27 A N 0.253 122.976 122.820 -0.162 0.000 1.940 27 A HA -0.212 4.107 4.320 -0.000 0.000 0.219 27 A C 2.380 179.918 177.584 -0.077 0.000 1.176 27 A CA 2.475 54.433 52.037 -0.131 0.000 0.631 27 A CB -1.097 17.841 19.000 -0.103 0.000 0.814 27 A HN 0.385 nan 8.150 nan 0.000 0.446 28 T N 0.346 114.873 114.554 -0.045 0.000 2.746 28 T HA 0.190 4.539 4.350 -0.000 0.000 0.267 28 T C 1.335 176.040 174.700 0.008 0.000 1.039 28 T CA 0.891 62.991 62.100 -0.000 0.000 1.142 28 T CB -0.514 68.354 68.868 0.001 0.000 0.866 28 T HN 0.666 nan 8.240 nan 0.000 0.444 32 S N 0.684 116.440 115.700 0.094 0.000 2.447 32 S HA 0.129 4.599 4.470 -0.000 0.000 0.233 32 S C 1.926 176.607 174.600 0.135 0.000 1.006 32 S CA 1.306 59.577 58.200 0.119 0.000 0.957 32 S CB -0.093 63.164 63.200 0.094 0.000 0.773 32 S HN 1.062 nan 8.310 nan 0.000 0.507 33 A N 0.802 123.655 122.820 0.055 0.000 2.123 33 A HA 0.242 4.562 4.320 -0.000 0.000 0.214 33 A C 0.817 178.239 177.584 -0.270 0.000 1.152 33 A CA 0.185 52.171 52.037 -0.085 0.000 0.728 33 A CB -0.003 18.979 19.000 -0.030 0.000 0.814 33 A HN 0.263 nan 8.150 nan 0.000 0.464 34 V N 1.597 121.465 119.914 -0.076 0.000 2.408 34 V HA 0.138 4.258 4.120 -0.000 0.000 0.267 34 V C -0.405 175.724 176.094 0.057 0.000 1.047 34 V CA -0.180 62.044 62.300 -0.126 0.000 0.937 34 V CB -0.031 31.642 31.823 -0.250 0.000 0.999 34 V HN 0.535 nan 8.190 nan 0.000 0.472 35 H N 6.065 125.107 119.070 -0.046 0.000 2.572 35 H HA 0.307 4.863 4.556 -0.000 0.000 0.248 35 H C -2.326 172.967 175.328 -0.058 0.000 1.397 35 H CA -1.824 54.201 56.048 -0.038 0.000 1.319 35 H CB 1.024 30.784 29.762 -0.003 0.000 1.452 35 H HN 0.521 nan 8.280 nan 0.000 0.535 36 P HA 0.129 nan 4.420 nan 0.000 0.297 36 P C -0.688 176.576 177.300 -0.060 0.000 1.342 36 P CA -0.980 62.011 63.100 -0.181 0.000 0.801 36 P CB 1.324 32.704 31.700 -0.534 0.000 0.920 37 K N 2.677 123.082 120.400 0.009 0.000 2.034 37 K HA 0.357 4.677 4.320 -0.000 0.000 0.225 37 K C 1.519 178.119 176.600 -0.001 0.000 1.190 37 K CA 0.633 56.925 56.287 0.009 0.000 1.152 37 K CB -1.166 31.351 32.500 0.028 0.000 1.300 37 K HN 0.753 nan 8.250 nan 0.000 0.268 38 G N 0.943 109.731 108.800 -0.020 0.000 2.253 38 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.251 38 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.251 38 G C -0.013 174.876 174.900 -0.019 0.000 0.998 38 G CA -0.172 44.920 45.100 -0.014 0.000 0.621 38 G HN 0.526 nan 8.290 nan 0.000 0.524 39 E N 0.698 120.877 120.200 -0.036 0.000 2.345 39 E HA 0.473 4.823 4.350 -0.000 0.000 0.259 39 E C 0.117 176.660 176.600 -0.096 0.000 1.117 39 E CA -0.549 55.835 56.400 -0.028 0.000 0.913 39 E CB 1.001 30.737 29.700 0.061 0.000 1.057 39 E HN 0.373 nan 8.360 nan 0.000 0.432 40 E N 2.810 122.991 120.200 -0.030 0.000 2.324 40 E HA 0.075 4.425 4.350 -0.000 0.000 0.271 40 E C -2.076 174.472 176.600 -0.087 0.000 1.028 40 E CA -1.981 54.408 56.400 -0.019 0.000 0.890 40 E CB 0.540 30.262 29.700 0.037 0.000 1.004 40 E HN 0.158 nan 8.360 nan 0.000 0.431 41 P HA -0.019 nan 4.420 nan 0.000 0.271 41 P C -0.881 176.417 177.300 -0.003 0.000 1.216 41 P CA -0.120 62.800 63.100 -0.299 0.000 0.771 41 P CB 1.213 32.732 31.700 -0.302 0.000 0.864 42 V N 5.099 125.106 119.914 0.156 0.000 2.487 42 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 42 V C -1.166 174.866 176.094 -0.104 0.000 1.028 42 V CA -0.818 61.541 62.300 0.098 0.000 0.860 42 V CB 0.610 32.508 31.823 0.126 0.000 0.991 42 V HN 0.257 nan 8.190 nan 0.000 0.427 43 F N 6.430 126.355 119.950 -0.041 0.000 2.422 43 F HA 0.698 5.225 4.527 -0.000 0.000 0.333 43 F C -0.130 175.407 175.800 -0.439 0.000 1.095 43 F CA -0.601 57.251 58.000 -0.247 0.000 1.038 43 F CB 1.912 40.684 39.000 -0.380 0.000 1.156 43 F HN 0.464 nan 8.300 nan 0.000 0.483 44 L N 3.003 124.129 121.223 -0.162 0.000 2.356 44 L HA 0.507 4.847 4.340 -0.000 0.000 0.277 44 L C -0.867 175.867 176.870 -0.228 0.000 0.996 44 L CA -0.391 54.319 54.840 -0.217 0.000 0.822 44 L CB 1.677 43.676 42.059 -0.099 0.000 1.256 44 L HN 0.679 nan 8.230 nan 0.000 0.413 45 E N 4.828 124.873 120.200 -0.257 0.000 2.158 45 E HA 0.458 4.808 4.350 -0.000 0.000 0.271 45 E C -1.560 174.982 176.600 -0.096 0.000 0.911 45 E CA -0.662 55.663 56.400 -0.125 0.000 0.767 45 E CB 1.238 30.942 29.700 0.005 0.000 1.120 45 E HN 0.744 nan 8.360 nan 0.000 0.405 46 L N 4.285 125.450 121.223 -0.096 0.000 2.257 46 L HA 0.452 4.792 4.340 -0.000 0.000 0.290 46 L C 0.731 177.528 176.870 -0.122 0.000 1.044 46 L CA -0.128 54.652 54.840 -0.100 0.000 0.810 46 L CB 1.238 43.238 42.059 -0.099 0.000 1.193 46 L HN 0.988 nan 8.230 nan 0.000 0.425 47 G N 2.453 111.184 108.800 -0.115 0.000 2.303 47 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 47 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 47 G C 0.538 175.362 174.900 -0.127 0.000 1.106 47 G CA 0.197 45.222 45.100 -0.125 0.000 0.900 47 G HN 0.555 nan 8.290 nan 0.000 0.495 48 V N 0.074 119.895 119.914 -0.156 0.000 2.568 48 V HA 0.270 4.390 4.120 -0.000 0.000 0.253 48 V C 2.490 178.470 176.094 -0.190 0.000 1.072 48 V CA 3.263 65.446 62.300 -0.195 0.000 1.084 48 V CB -0.682 30.915 31.823 -0.377 0.000 0.676 48 V HN 2.521 nan 8.190 nan 0.000 0.469 49 G N 0.262 108.952 108.800 -0.184 0.000 2.611 49 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.301 49 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.301 49 G C 0.927 175.776 174.900 -0.086 0.000 1.233 49 G CA 1.352 46.359 45.100 -0.155 0.000 0.993 49 G HN 1.281 nan 8.290 nan 0.000 0.553 50 T N -1.165 113.408 114.554 0.031 0.000 3.148 50 T HA 0.434 4.784 4.350 -0.000 0.000 0.253 50 T C 2.227 177.066 174.700 0.231 0.000 1.134 50 T CA 1.491 63.659 62.100 0.114 0.000 1.051 50 T CB 0.030 68.970 68.868 0.120 0.000 0.959 50 T HN 2.762 nan 8.240 nan 0.000 0.525 51 G N 1.867 110.750 108.800 0.138 0.000 2.132 51 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.228 51 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.228 51 G C 0.691 175.645 174.900 0.091 0.000 1.000 51 G CA 0.361 45.580 45.100 0.199 0.000 0.693 51 G HN 0.613 nan 8.290 nan 0.000 0.515 52 R N -0.265 120.264 120.500 0.048 0.000 2.091 52 R HA -0.052 4.288 4.340 -0.000 0.000 0.238 52 R C 2.283 178.548 176.300 -0.057 0.000 1.136 52 R CA 2.017 58.102 56.100 -0.024 0.000 0.959 52 R CB -0.205 30.056 30.300 -0.065 0.000 0.856 52 R HN 0.468 nan 8.270 nan 0.000 0.437 53 I N 0.068 120.613 120.570 -0.043 0.000 2.703 53 I HA 0.016 4.186 4.170 -0.000 0.000 0.259 53 I C 2.339 178.402 176.117 -0.090 0.000 1.151 53 I CA 0.902 62.167 61.300 -0.059 0.000 1.470 53 I CB -1.112 36.883 38.000 -0.008 0.000 1.112 53 I HN 0.230 nan 8.210 nan 0.000 0.437 54 A N 1.232 123.984 122.820 -0.113 0.000 1.897 54 A HA -0.068 4.251 4.320 -0.000 0.000 0.215 54 A C 2.233 179.598 177.584 -0.364 0.000 1.181 54 A CA 0.813 52.604 52.037 -0.410 0.000 0.620 54 A CB -0.562 18.138 19.000 -0.500 0.000 0.821 54 A HN 0.218 nan 8.150 nan 0.000 0.443 55 L N -0.134 121.003 121.223 -0.143 0.000 2.043 55 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 55 L C -0.367 176.431 176.870 -0.120 0.000 1.075 55 L CA 2.370 57.138 54.840 -0.119 0.000 0.752 55 L CB -2.295 39.723 42.059 -0.069 0.000 0.891 55 L HN 0.207 nan 8.230 nan 0.000 0.432 56 P HA -0.158 nan 4.420 nan 0.000 0.216 56 P C 2.139 179.406 177.300 -0.054 0.000 1.150 56 P CA 1.274 64.321 63.100 -0.088 0.000 0.837 56 P CB 0.113 31.748 31.700 -0.108 0.000 0.786 57 L N -1.790 119.379 121.223 -0.090 0.000 2.095 57 L HA -0.051 4.289 4.340 -0.000 0.000 0.204 57 L C 2.390 179.340 176.870 0.134 0.000 1.080 57 L CA 0.954 55.810 54.840 0.027 0.000 0.759 57 L CB -0.636 41.326 42.059 -0.162 0.000 0.914 57 L HN -0.107 nan 8.230 nan 0.000 0.439 58 I N 0.145 120.681 120.570 -0.056 0.000 2.286 58 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 58 I C 2.711 178.824 176.117 -0.006 0.000 1.115 58 I CA 1.150 62.435 61.300 -0.025 0.000 1.392 58 I CB -0.411 37.509 38.000 -0.134 0.000 1.065 58 I HN 0.207 nan 8.210 nan 0.000 0.418 59 A N 0.742 123.544 122.820 -0.030 0.000 2.070 59 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 59 A C 2.150 179.719 177.584 -0.025 0.000 1.159 59 A CA 1.229 53.246 52.037 -0.033 0.000 0.656 59 A CB -0.454 18.521 19.000 -0.043 0.000 0.800 59 A HN 0.392 nan 8.150 nan 0.000 0.453 60 R N -1.408 119.094 120.500 0.002 0.000 2.388 60 R HA 0.269 4.608 4.340 -0.000 0.000 0.247 60 R C 1.086 177.267 176.300 -0.198 0.000 0.931 60 R CA 0.459 56.529 56.100 -0.049 0.000 1.082 60 R CB 0.022 30.354 30.300 0.052 0.000 1.135 60 R HN 0.613 nan 8.270 nan 0.000 0.525 61 G N 0.456 109.188 108.800 -0.114 0.000 2.143 61 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.249 61 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.249 61 G C -0.249 174.579 174.900 -0.121 0.000 0.981 61 G CA -0.241 44.781 45.100 -0.130 0.000 0.665 61 G HN 0.273 nan 8.290 nan 0.000 0.528 62 Y N 0.837 121.229 120.300 0.153 0.000 2.346 62 Y HA 0.497 5.047 4.550 -0.000 0.000 0.330 62 Y C 1.579 177.652 175.900 0.289 0.000 1.178 62 Y CA -0.441 57.816 58.100 0.262 0.000 1.331 62 Y CB 0.537 39.264 38.460 0.446 0.000 1.253 62 Y HN 0.159 nan 8.280 nan 0.000 0.529 63 R N 2.244 122.996 120.500 0.421 0.000 2.489 63 R HA 0.165 4.505 4.340 -0.000 0.000 0.287 63 R C -1.421 175.151 176.300 0.453 0.000 1.053 63 R CA 0.107 56.404 56.100 0.328 0.000 1.036 63 R CB 0.194 30.630 30.300 0.227 0.000 0.966 63 R HN 0.644 nan 8.270 nan 0.000 0.432 64 Y N 2.390 122.831 120.300 0.236 0.000 2.457 64 Y HA 0.417 4.966 4.550 -0.000 0.000 0.343 64 Y C -0.824 175.179 175.900 0.172 0.000 0.994 64 Y CA -0.858 57.384 58.100 0.237 0.000 1.031 64 Y CB 1.469 40.065 38.460 0.226 0.000 1.246 64 Y HN 0.427 nan 8.280 nan 0.000 0.449 65 I N 5.074 125.683 120.570 0.065 0.000 2.382 65 I HA 0.570 4.740 4.170 -0.000 0.000 0.286 65 I C -0.625 175.517 176.117 0.042 0.000 1.002 65 I CA -0.796 60.551 61.300 0.079 0.000 1.135 65 I CB 1.547 39.551 38.000 0.007 0.000 1.288 65 I HN 0.717 nan 8.210 nan 0.000 0.448 66 A N 8.022 130.923 122.820 0.135 0.000 2.256 66 A HA 0.669 4.989 4.320 -0.000 0.000 0.317 66 A C -0.884 176.649 177.584 -0.085 0.000 1.318 66 A CA -0.389 51.642 52.037 -0.010 0.000 0.894 66 A CB 0.666 19.508 19.000 -0.263 0.000 1.165 66 A HN 0.752 nan 8.150 nan 0.000 0.525 67 L N 2.815 123.979 121.223 -0.098 0.000 2.322 67 L HA 0.705 5.045 4.340 -0.000 0.000 0.281 67 L C -1.165 175.643 176.870 -0.103 0.000 1.014 67 L CA -0.366 54.428 54.840 -0.077 0.000 0.815 67 L CB 1.432 43.459 42.059 -0.053 0.000 1.247 67 L HN 0.725 nan 8.230 nan 0.000 0.421 68 D N 2.552 122.901 120.400 -0.085 0.000 2.717 68 D HA 0.304 4.944 4.640 -0.000 0.000 0.223 68 D C -0.145 176.119 176.300 -0.061 0.000 1.240 68 D CA -0.096 53.850 54.000 -0.090 0.000 0.801 68 D CB 2.596 43.324 40.800 -0.121 0.000 1.556 68 D HN 0.623 nan 8.370 nan 0.000 0.462 69 A N 2.125 124.909 122.820 -0.060 0.000 2.123 69 A HA 0.017 4.337 4.320 -0.000 0.000 0.214 69 A C 0.767 178.325 177.584 -0.045 0.000 1.152 69 A CA 0.621 52.632 52.037 -0.044 0.000 0.728 69 A CB 0.127 19.102 19.000 -0.041 0.000 0.814 69 A HN 0.452 nan 8.150 nan 0.000 0.464 70 D N 0.041 120.404 120.400 -0.061 0.000 2.317 70 D HA 0.503 5.143 4.640 -0.000 0.000 0.234 70 D C 1.172 177.443 176.300 -0.047 0.000 1.112 70 D CA 0.444 54.408 54.000 -0.060 0.000 0.840 70 D CB 1.577 42.325 40.800 -0.086 0.000 1.078 70 D HN 0.094 nan 8.370 nan 0.000 0.486 71 A N 4.097 126.899 122.820 -0.031 0.000 1.940 71 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 71 A C 1.364 178.935 177.584 -0.021 0.000 1.176 71 A CA 1.505 53.532 52.037 -0.017 0.000 0.631 71 A CB -0.395 18.600 19.000 -0.009 0.000 0.814 71 A HN 0.654 nan 8.150 nan 0.000 0.446 75 E N 1.186 121.396 120.200 0.018 0.000 2.077 75 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 75 E C 1.869 178.444 176.600 -0.042 0.000 0.989 75 E CA 1.905 58.306 56.400 0.002 0.000 0.800 75 E CB 0.270 29.967 29.700 -0.006 0.000 0.746 75 E HN 0.266 nan 8.360 nan 0.000 0.452 76 V N 0.866 120.687 119.914 -0.154 0.000 2.343 76 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 76 V C 2.098 178.144 176.094 -0.080 0.000 1.051 76 V CA 1.822 63.930 62.300 -0.319 0.000 1.036 76 V CB -0.702 30.748 31.823 -0.621 0.000 0.654 76 V HN 0.362 nan 8.190 nan 0.000 0.451 77 F N 1.457 121.333 119.950 -0.124 0.000 2.095 77 F HA -0.207 4.319 4.527 -0.000 0.000 0.298 77 F C 2.585 178.361 175.800 -0.041 0.000 1.104 77 F CA 1.832 59.790 58.000 -0.070 0.000 1.232 77 F CB -0.417 38.553 39.000 -0.051 0.000 0.987 77 F HN -0.033 nan 8.300 nan 0.000 0.475 78 R N -0.314 120.119 120.500 -0.112 0.000 2.091 78 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 78 R C 2.231 178.428 176.300 -0.171 0.000 1.136 78 R CA 1.646 57.639 56.100 -0.178 0.000 0.959 78 R CB -0.458 29.826 30.300 -0.026 0.000 0.856 78 R HN 0.388 nan 8.270 nan 0.000 0.437 79 Q N 0.473 120.225 119.800 -0.081 0.000 2.119 79 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 79 Q C 1.889 177.852 176.000 -0.061 0.000 0.972 79 Q CA 1.061 56.850 55.803 -0.023 0.000 0.847 79 Q CB -0.042 28.759 28.738 0.105 0.000 0.903 79 Q HN 0.175 nan 8.270 nan 0.000 0.433 80 K N 1.012 121.351 120.400 -0.100 0.000 2.209 80 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 80 K C 1.985 178.465 176.600 -0.200 0.000 1.048 80 K CA 0.816 57.037 56.287 -0.111 0.000 0.940 80 K CB -0.134 32.316 32.500 -0.084 0.000 0.729 80 K HN 0.437 nan 8.250 nan 0.000 0.451 81 I N -2.093 118.272 120.570 -0.343 0.000 3.891 81 I HA 0.283 4.453 4.170 -0.000 0.000 0.331 81 I C 0.356 176.351 176.117 -0.203 0.000 1.406 81 I CA -0.585 60.520 61.300 -0.325 0.000 1.139 81 I CB 0.067 37.744 38.000 -0.539 0.000 1.056 81 I HN -0.266 nan 8.210 nan 0.000 0.399 82 A N 1.562 124.293 122.820 -0.148 0.000 2.540 82 A HA 0.427 4.747 4.320 -0.000 0.000 0.239 82 A C 1.611 179.150 177.584 -0.075 0.000 1.061 82 A CA 0.807 52.787 52.037 -0.094 0.000 0.758 82 A CB -0.446 18.517 19.000 -0.062 0.000 0.991 82 A HN 1.116 nan 8.150 nan 0.000 0.502 83 G N 0.246 109.010 108.800 -0.059 0.000 2.267 83 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.257 83 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.257 83 G C 0.713 175.584 174.900 -0.049 0.000 0.998 83 G CA 0.939 46.011 45.100 -0.047 0.000 0.620 83 G HN 2.358 nan 8.290 nan 0.000 0.529 84 V N -1.535 118.340 119.914 -0.065 0.000 2.925 84 V HA 0.568 4.688 4.120 -0.000 0.000 0.361 84 V C 0.537 176.596 176.094 -0.059 0.000 1.361 84 V CA 0.803 63.069 62.300 -0.058 0.000 1.184 84 V CB 0.530 32.314 31.823 -0.066 0.000 1.245 84 V HN 0.277 nan 8.190 nan 0.000 0.575 85 D N -0.495 119.871 120.400 -0.056 0.000 2.368 85 D HA 0.100 4.740 4.640 -0.000 0.000 0.218 85 D C 1.618 177.919 176.300 0.003 0.000 1.112 85 D CA -0.243 53.731 54.000 -0.042 0.000 0.834 85 D CB -0.048 40.707 40.800 -0.074 0.000 0.953 85 D HN 0.399 nan 8.370 nan 0.000 0.505 86 R N 0.699 121.203 120.500 0.007 0.000 2.152 86 R HA 0.018 4.358 4.340 -0.000 0.000 0.232 86 R C 1.006 177.333 176.300 0.045 0.000 1.117 86 R CA 0.923 57.036 56.100 0.021 0.000 0.981 86 R CB -0.016 30.292 30.300 0.012 0.000 0.870 86 R HN 0.174 nan 8.270 nan 0.000 0.451 87 K N 0.305 120.744 120.400 0.064 0.000 2.514 87 K HA 0.201 4.521 4.320 -0.000 0.000 0.207 87 K C -0.750 175.941 176.600 0.152 0.000 1.035 87 K CA -0.110 56.237 56.287 0.101 0.000 1.113 87 K CB 1.390 33.955 32.500 0.107 0.000 0.846 87 K HN -0.110 nan 8.250 nan 0.000 0.491 88 V N 1.548 121.546 119.914 0.140 0.000 2.459 88 V HA 0.225 4.345 4.120 -0.000 0.000 0.295 88 V C -0.543 175.660 176.094 0.182 0.000 1.029 88 V CA -0.847 61.576 62.300 0.205 0.000 0.874 88 V CB 1.604 33.541 31.823 0.191 0.000 0.985 88 V HN 0.107 nan 8.190 nan 0.000 0.438 89 Q N 3.760 123.684 119.800 0.206 0.000 2.333 89 Q HA 0.565 4.905 4.340 -0.000 0.000 0.268 89 Q C -1.261 174.847 176.000 0.180 0.000 1.007 89 Q CA -0.287 55.608 55.803 0.153 0.000 0.810 89 Q CB 1.873 30.678 28.738 0.111 0.000 1.264 89 Q HN 0.563 nan 8.270 nan 0.000 0.452 90 V N 4.447 124.463 119.914 0.171 0.000 2.509 90 V HA 0.600 4.720 4.120 -0.000 0.000 0.284 90 V C -0.465 175.685 176.094 0.093 0.000 1.047 90 V CA -0.591 61.814 62.300 0.174 0.000 0.952 90 V CB 1.624 33.574 31.823 0.212 0.000 0.988 90 V HN 0.653 nan 8.190 nan 0.000 0.469 91 V N 4.559 124.507 119.914 0.056 0.000 2.569 91 V HA 0.372 4.492 4.120 -0.000 0.000 0.301 91 V C -0.358 175.740 176.094 0.007 0.000 1.044 91 V CA -0.604 61.712 62.300 0.027 0.000 0.874 91 V CB 1.684 33.516 31.823 0.015 0.000 1.002 91 V HN 0.933 nan 8.190 nan 0.000 0.424 92 Q N 3.410 123.216 119.800 0.009 0.000 2.390 92 Q HA 0.745 5.085 4.340 -0.000 0.000 0.249 92 Q C -0.449 175.548 176.000 -0.005 0.000 0.996 92 Q CA -0.080 55.721 55.803 -0.003 0.000 0.899 92 Q CB 1.236 29.976 28.738 0.003 0.000 1.216 92 Q HN 1.019 nan 8.270 nan 0.000 0.465 93 A N 3.436 126.248 122.820 -0.014 0.000 2.564 93 A HA 0.365 4.685 4.320 -0.000 0.000 0.291 93 A C -1.789 175.786 177.584 -0.015 0.000 1.102 93 A CA -0.832 51.199 52.037 -0.010 0.000 0.660 93 A CB 1.472 20.469 19.000 -0.006 0.000 1.283 93 A HN 0.695 nan 8.150 nan 0.000 0.430 94 D N 0.572 120.967 120.400 -0.008 0.000 2.225 94 D HA 0.489 5.129 4.640 -0.000 0.000 0.248 94 D C 1.189 177.491 176.300 0.003 0.000 1.096 94 D CA 0.471 54.468 54.000 -0.005 0.000 0.863 94 D CB 1.891 42.691 40.800 0.000 0.000 1.156 94 D HN 0.641 nan 8.370 nan 0.000 0.450 95 A N 4.498 127.322 122.820 0.006 0.000 2.178 95 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 95 A C 1.812 179.425 177.584 0.049 0.000 1.157 95 A CA 0.936 52.986 52.037 0.022 0.000 0.689 95 A CB -0.117 18.895 19.000 0.021 0.000 0.787 95 A HN 0.614 nan 8.150 nan 0.000 0.465 96 R N -0.934 119.592 120.500 0.043 0.000 2.313 96 R HA 0.295 4.635 4.340 -0.000 0.000 0.199 96 R C 0.194 176.508 176.300 0.024 0.000 0.958 96 R CA 0.650 56.776 56.100 0.043 0.000 1.047 96 R CB 0.095 30.414 30.300 0.033 0.000 0.955 96 R HN 0.372 nan 8.270 nan 0.000 0.481 97 A N 1.133 123.963 122.820 0.018 0.000 3.124 97 A HA 0.292 4.612 4.320 -0.000 0.000 0.295 97 A C -0.519 177.069 177.584 0.008 0.000 1.199 97 A CA -0.666 51.377 52.037 0.010 0.000 0.845 97 A CB 0.233 19.236 19.000 0.005 0.000 1.381 97 A HN 0.090 nan 8.150 nan 0.000 0.537 98 I N 2.991 123.566 120.570 0.010 0.000 2.517 98 I HA 0.188 4.358 4.170 -0.000 0.000 0.285 98 I C -1.526 174.592 176.117 0.001 0.000 1.106 98 I CA -1.329 59.974 61.300 0.004 0.000 1.402 98 I CB 1.220 39.223 38.000 0.006 0.000 1.399 98 I HN 0.377 nan 8.210 nan 0.000 0.535 99 P HA 0.293 nan 4.420 nan 0.000 0.220 99 P C -0.753 176.547 177.300 -0.000 0.000 1.806 99 P CA 0.251 63.352 63.100 0.001 0.000 0.976 99 P CB 0.076 31.778 31.700 0.003 0.000 1.952 100 L N 1.605 122.825 121.223 -0.004 0.000 2.376 100 L HA 0.566 4.906 4.340 -0.000 0.000 0.258 100 L C -2.396 174.468 176.870 -0.010 0.000 1.013 100 L CA -2.625 52.210 54.840 -0.008 0.000 0.822 100 L CB 2.584 44.634 42.059 -0.014 0.000 1.388 100 L HN -0.086 nan 8.230 nan 0.000 0.413 101 P HA 0.174 nan 4.420 nan 0.000 0.274 101 P C -1.365 175.922 177.300 -0.021 0.000 1.256 101 P CA -0.568 62.523 63.100 -0.015 0.000 0.795 101 P CB 0.403 32.093 31.700 -0.016 0.000 1.038 102 D N 0.639 121.028 120.400 -0.018 0.000 2.423 102 D HA -0.003 4.637 4.640 -0.000 0.000 0.238 102 D C 0.178 176.458 176.300 -0.033 0.000 1.142 102 D CA 0.416 54.404 54.000 -0.020 0.000 0.884 102 D CB -0.230 40.562 40.800 -0.014 0.000 1.199 102 D HN 0.402 nan 8.370 nan 0.000 0.438 103 E N -0.049 120.126 120.200 -0.041 0.000 2.183 103 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 103 E C -0.001 176.543 176.600 -0.095 0.000 1.364 103 E CA 0.577 56.939 56.400 -0.063 0.000 0.700 103 E CB -1.304 28.370 29.700 -0.044 0.000 1.106 103 E HN 0.468 nan 8.360 nan 0.000 0.347 104 S N -1.842 113.791 115.700 -0.111 0.000 2.559 104 S HA 0.280 4.750 4.470 -0.000 0.000 0.226 104 S C 0.561 175.039 174.600 -0.204 0.000 1.030 104 S CA 0.154 58.278 58.200 -0.127 0.000 0.956 104 S CB 0.783 63.941 63.200 -0.071 0.000 0.900 104 S HN 0.395 nan 8.310 nan 0.000 0.510 105 V N -1.175 118.593 119.914 -0.244 0.000 3.001 105 V HA 0.613 4.733 4.120 -0.000 0.000 0.314 105 V C 0.403 176.255 176.094 -0.403 0.000 1.099 105 V CA -0.890 61.230 62.300 -0.299 0.000 0.989 105 V CB 1.362 33.099 31.823 -0.143 0.000 1.040 105 V HN 0.257 nan 8.190 nan 0.000 0.434 106 H N 1.751 120.730 119.070 -0.152 0.000 2.582 106 H HA 0.443 4.999 4.556 -0.000 0.000 0.269 106 H C 0.833 176.034 175.328 -0.212 0.000 0.962 106 H CA 0.968 56.907 56.048 -0.182 0.000 1.230 106 H CB 1.443 31.063 29.762 -0.237 0.000 1.445 106 H HN 0.944 nan 8.280 nan 0.000 0.528 107 G N 0.571 109.293 108.800 -0.131 0.000 2.746 107 G HA2 0.458 4.418 3.960 -0.000 0.000 0.297 107 G HA3 0.458 4.418 3.960 -0.000 0.000 0.297 107 G C -1.533 173.383 174.900 0.027 0.000 1.426 107 G CA -0.310 44.755 45.100 -0.058 0.000 0.989 107 G HN 0.001 nan 8.290 nan 0.000 0.520 108 V N 2.721 122.671 119.914 0.060 0.000 2.444 108 V HA 0.471 4.591 4.120 -0.000 0.000 0.294 108 V C -0.206 175.928 176.094 0.065 0.000 1.022 108 V CA -0.569 61.756 62.300 0.042 0.000 0.850 108 V CB 1.435 33.281 31.823 0.039 0.000 0.992 108 V HN 0.656 nan 8.190 nan 0.000 0.426 109 I N 5.005 125.594 120.570 0.032 0.000 2.359 109 I HA 0.579 4.749 4.170 -0.000 0.000 0.294 109 I C -0.724 175.372 176.117 -0.034 0.000 0.987 109 I CA -0.692 60.627 61.300 0.032 0.000 1.225 109 I CB 1.933 39.952 38.000 0.032 0.000 1.366 109 I HN 0.280 nan 8.210 nan 0.000 0.466 110 V N 7.024 126.906 119.914 -0.053 0.000 2.488 110 V HA 0.383 4.503 4.120 -0.000 0.000 0.293 110 V C -0.557 175.463 176.094 -0.124 0.000 1.027 110 V CA -0.578 61.590 62.300 -0.220 0.000 0.862 110 V CB 1.956 33.454 31.823 -0.541 0.000 1.008 110 V HN 0.395 nan 8.190 nan 0.000 0.428 111 V N 4.142 124.010 119.914 -0.077 0.000 2.482 111 V HA 0.512 4.631 4.120 -0.000 0.000 0.295 111 V C 0.123 176.240 176.094 0.038 0.000 1.026 111 V CA -0.584 61.724 62.300 0.014 0.000 0.856 111 V CB 1.157 33.010 31.823 0.050 0.000 1.001 111 V HN 1.094 nan 8.190 nan 0.000 0.424 112 H N 3.093 122.236 119.070 0.122 0.000 2.748 112 H HA -0.190 4.365 4.556 -0.000 0.000 0.322 112 H C 0.529 175.898 175.328 0.069 0.000 1.208 112 H CA 0.590 56.716 56.048 0.129 0.000 1.151 112 H CB -0.376 29.521 29.762 0.225 0.000 1.505 112 H HN 0.534 nan 8.280 nan 0.000 0.429 113 L N -1.698 119.518 121.223 -0.012 0.000 2.663 113 L HA 0.181 4.521 4.340 -0.000 0.000 0.218 113 L C 1.836 178.659 176.870 -0.079 0.000 1.043 113 L CA 0.647 55.385 54.840 -0.170 0.000 0.876 113 L CB -0.136 41.740 42.059 -0.305 0.000 1.263 113 L HN 0.387 nan 8.230 nan 0.000 0.486 114 W N 1.079 122.398 121.300 0.032 0.000 2.304 114 W HA -0.293 4.367 4.660 -0.000 0.000 0.315 114 W C 2.593 179.091 176.519 -0.034 0.000 1.233 114 W CA 1.319 58.653 57.345 -0.019 0.000 1.261 114 W CB -0.698 28.685 29.460 -0.129 0.000 1.150 114 W HN 0.417 nan 8.180 nan 0.000 0.494 115 H N 0.044 119.180 119.070 0.110 0.000 2.543 115 H HA -0.067 4.489 4.556 -0.000 0.000 0.286 115 H C 1.511 176.875 175.328 0.060 0.000 1.037 115 H CA 1.273 57.344 56.048 0.039 0.000 1.250 115 H CB -0.877 28.838 29.762 -0.079 0.000 1.373 115 H HN 0.293 nan 8.280 nan 0.000 0.580 116 L N 0.886 121.869 121.223 -0.401 0.000 2.607 116 L HA 0.202 4.542 4.340 -0.000 0.000 0.228 116 L C -0.027 176.816 176.870 -0.044 0.000 1.123 116 L CA -0.144 54.536 54.840 -0.267 0.000 0.890 116 L CB 0.784 42.612 42.059 -0.384 0.000 1.103 116 L HN -0.018 nan 8.230 nan 0.000 0.468 117 V N 0.884 120.844 119.914 0.078 0.000 2.380 117 V HA 0.225 4.345 4.120 -0.000 0.000 0.286 117 V C -1.366 174.877 176.094 0.247 0.000 1.015 117 V CA -1.057 61.340 62.300 0.163 0.000 0.834 117 V CB 1.483 33.454 31.823 0.247 0.000 1.009 117 V HN -0.086 nan 8.190 nan 0.000 0.428 118 P HA -0.128 nan 4.420 nan 0.000 0.215 118 P C 0.409 177.771 177.300 0.103 0.000 1.153 118 P CA 1.294 64.489 63.100 0.157 0.000 0.853 118 P CB 0.229 31.977 31.700 0.081 0.000 0.788 119 D N 0.034 120.452 120.400 0.030 0.000 3.072 119 D HA -0.043 4.597 4.640 -0.000 0.000 0.250 119 D C 1.613 177.846 176.300 -0.112 0.000 1.304 119 D CA -0.832 53.099 54.000 -0.116 0.000 0.861 119 D CB -1.382 39.368 40.800 -0.083 0.000 1.062 119 D HN 0.415 nan 8.370 nan 0.000 0.481 120 W N -0.170 121.149 121.300 0.030 0.000 2.364 120 W HA -0.054 4.606 4.660 -0.000 0.000 0.281 120 W C -1.663 174.842 176.519 -0.024 0.000 1.219 120 W CA 0.434 57.816 57.345 0.062 0.000 1.220 120 W CB -2.089 27.392 29.460 0.034 0.000 1.127 120 W HN 0.156 nan 8.180 nan 0.000 0.556 121 P HA -0.149 nan 4.420 nan 0.000 0.219 121 P C 1.469 178.635 177.300 -0.224 0.000 1.146 121 P CA 2.415 65.085 63.100 -0.716 0.000 0.808 121 P CB -0.259 30.888 31.700 -0.921 0.000 0.779 122 K N -0.756 119.551 120.400 -0.154 0.000 2.097 122 K HA -0.055 4.264 4.320 -0.000 0.000 0.205 122 K C 1.842 178.472 176.600 0.051 0.000 1.050 122 K CA 1.096 57.355 56.287 -0.046 0.000 0.938 122 K CB -0.631 31.847 32.500 -0.037 0.000 0.718 122 K HN 0.052 nan 8.250 nan 0.000 0.442 123 V N 1.513 121.516 119.914 0.149 0.000 2.379 123 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 123 V C 2.126 178.398 176.094 0.298 0.000 1.044 123 V CA 1.180 63.635 62.300 0.259 0.000 1.036 123 V CB -0.343 31.747 31.823 0.445 0.000 0.664 123 V HN 0.237 nan 8.190 nan 0.000 0.453 124 L N 1.171 122.580 121.223 0.309 0.000 2.046 124 L HA -0.077 4.262 4.340 -0.000 0.000 0.208 124 L C 2.430 179.389 176.870 0.149 0.000 1.077 124 L CA 2.372 57.372 54.840 0.266 0.000 0.747 124 L CB -0.965 41.202 42.059 0.179 0.000 0.896 124 L HN 0.216 nan 8.230 nan 0.000 0.432 125 A N -1.019 121.848 122.820 0.079 0.000 1.933 125 A HA -0.159 4.160 4.320 -0.000 0.000 0.218 125 A C 2.175 179.790 177.584 0.052 0.000 1.175 125 A CA 1.574 53.635 52.037 0.041 0.000 0.628 125 A CB -0.527 18.473 19.000 -0.000 0.000 0.814 125 A HN 0.524 nan 8.150 nan 0.000 0.444 126 E N -0.086 120.154 120.200 0.066 0.000 2.072 126 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 126 E C 2.386 179.023 176.600 0.061 0.000 0.985 126 E CA 1.126 57.558 56.400 0.054 0.000 0.801 126 E CB -0.528 29.205 29.700 0.055 0.000 0.750 126 E HN 0.560 nan 8.360 nan 0.000 0.452 127 A N 1.372 124.253 122.820 0.101 0.000 1.883 127 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 127 A C 2.321 179.945 177.584 0.068 0.000 1.186 127 A CA 1.293 53.388 52.037 0.096 0.000 0.624 127 A CB -0.704 18.397 19.000 0.169 0.000 0.822 127 A HN 0.181 nan 8.150 nan 0.000 0.444 128 I N -1.155 119.459 120.570 0.074 0.000 2.226 128 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 128 I C 2.711 178.843 176.117 0.026 0.000 1.100 128 I CA 1.614 62.944 61.300 0.050 0.000 1.374 128 I CB -0.351 37.679 38.000 0.051 0.000 1.057 128 I HN 0.388 nan 8.210 nan 0.000 0.413 129 R N 1.118 121.631 120.500 0.023 0.000 2.091 129 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 129 R C 2.216 178.514 176.300 -0.003 0.000 1.136 129 R CA 2.180 58.285 56.100 0.008 0.000 0.959 129 R CB -0.157 30.148 30.300 0.008 0.000 0.856 129 R HN 0.414 nan 8.270 nan 0.000 0.437 130 V N -0.966 118.946 119.914 -0.003 0.000 3.306 130 V HA 0.168 4.288 4.120 -0.000 0.000 0.264 130 V C 1.027 177.093 176.094 -0.047 0.000 1.149 130 V CA 0.400 62.685 62.300 -0.024 0.000 1.143 130 V CB -0.386 31.423 31.823 -0.023 0.000 0.767 130 V HN 0.033 nan 8.190 nan 0.000 0.476 131 L N 1.735 122.939 121.223 -0.031 0.000 2.380 131 L HA 0.286 4.626 4.340 -0.000 0.000 0.273 131 L C 0.730 177.565 176.870 -0.058 0.000 1.138 131 L CA 0.122 54.933 54.840 -0.049 0.000 0.832 131 L CB 0.675 42.726 42.059 -0.013 0.000 1.124 131 L HN 0.188 nan 8.230 nan 0.000 0.454 132 K N 3.742 124.081 120.400 -0.101 0.000 2.180 132 K HA 0.241 4.561 4.320 -0.000 0.000 0.251 132 K C -2.258 174.330 176.600 -0.021 0.000 1.014 132 K CA -1.522 54.717 56.287 -0.080 0.000 0.913 132 K CB 0.231 32.646 32.500 -0.142 0.000 1.008 132 K HN 0.269 nan 8.250 nan 0.000 0.490 133 P HA -0.048 nan 4.420 nan 0.000 0.266 133 P C 0.343 177.666 177.300 0.039 0.000 1.195 133 P CA 0.844 63.955 63.100 0.019 0.000 0.768 133 P CB 0.540 32.252 31.700 0.020 0.000 0.838 134 G N 1.567 110.393 108.800 0.043 0.000 2.179 134 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.260 134 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.260 134 G C 0.684 175.612 174.900 0.047 0.000 0.977 134 G CA -0.095 45.042 45.100 0.062 0.000 0.641 134 G HN 0.893 nan 8.290 nan 0.000 0.533 135 G N -0.185 108.633 108.800 0.029 0.000 2.636 135 G HA2 0.668 4.628 3.960 -0.000 0.000 0.246 135 G HA3 0.668 4.628 3.960 -0.000 0.000 0.246 135 G C 0.139 175.036 174.900 -0.006 0.000 1.216 135 G CA 0.591 45.697 45.100 0.009 0.000 0.854 135 G HN 1.649 nan 8.290 nan 0.000 0.572 136 A N 0.123 122.933 122.820 -0.016 0.000 2.371 136 A HA 0.617 4.937 4.320 -0.000 0.000 0.311 136 A C -0.896 176.712 177.584 0.040 0.000 1.068 136 A CA -0.616 51.420 52.037 -0.003 0.000 0.744 136 A CB 1.838 20.810 19.000 -0.047 0.000 1.239 136 A HN 1.008 nan 8.150 nan 0.000 0.435 137 L N 2.755 124.022 121.223 0.072 0.000 2.276 137 L HA 0.623 4.963 4.340 -0.000 0.000 0.286 137 L C -1.059 175.888 176.870 0.129 0.000 1.061 137 L CA -0.067 54.843 54.840 0.117 0.000 0.807 137 L CB 0.629 42.784 42.059 0.160 0.000 1.177 137 L HN 0.568 nan 8.230 nan 0.000 0.429 138 L N 5.752 127.056 121.223 0.136 0.000 2.337 138 L HA 0.476 4.816 4.340 -0.000 0.000 0.269 138 L C -0.367 176.602 176.870 0.164 0.000 1.018 138 L CA -0.396 54.529 54.840 0.142 0.000 0.876 138 L CB 0.972 43.114 42.059 0.138 0.000 1.236 138 L HN 0.628 nan 8.230 nan 0.000 0.436 139 E N 1.905 122.239 120.200 0.223 0.000 2.216 139 E HA 0.636 4.986 4.350 -0.000 0.000 0.279 139 E C 0.026 176.806 176.600 0.301 0.000 0.997 139 E CA -0.474 56.100 56.400 0.290 0.000 0.817 139 E CB 2.277 32.250 29.700 0.455 0.000 1.096 139 E HN 0.629 nan 8.360 nan 0.000 0.393 140 G N 2.512 111.481 108.800 0.281 0.000 2.563 140 G HA2 0.667 4.627 3.960 -0.000 0.000 0.302 140 G HA3 0.667 4.627 3.960 -0.000 0.000 0.302 140 G C -1.845 173.065 174.900 0.017 0.000 1.301 140 G CA -0.852 44.238 45.100 -0.016 0.000 0.965 140 G HN 0.588 nan 8.290 nan 0.000 0.480 141 W N 0.353 121.108 121.300 -0.908 0.000 3.248 141 W HA 0.627 5.287 4.660 -0.001 0.000 0.311 141 W C -1.379 174.936 176.519 -0.340 0.000 1.258 141 W CA -1.172 56.012 57.345 -0.268 0.000 1.191 141 W CB 1.007 30.508 29.460 0.068 0.000 1.389 141 W HN 0.380 nan 8.180 nan 0.000 0.561 142 D N 2.066 122.818 120.400 0.586 0.000 2.253 142 D HA 0.308 4.948 4.640 -0.000 0.000 0.249 142 D C -0.474 176.023 176.300 0.329 0.000 1.049 142 D CA -0.162 54.141 54.000 0.506 0.000 0.929 142 D CB 1.693 42.921 40.800 0.715 0.000 1.176 142 D HN 0.454 nan 8.370 nan 0.000 0.437 143 Q N -0.032 119.863 119.800 0.158 0.000 2.359 143 Q HA 0.666 5.006 4.340 -0.000 0.000 0.274 143 Q C -1.349 174.639 176.000 -0.021 0.000 1.074 143 Q CA -1.026 54.824 55.803 0.078 0.000 0.810 143 Q CB 2.709 31.468 28.738 0.034 0.000 1.342 143 Q HN 0.474 nan 8.270 nan 0.000 0.427 144 A N 1.919 124.722 122.820 -0.028 0.000 2.386 144 A HA 0.623 4.943 4.320 -0.000 0.000 0.311 144 A C -0.618 176.908 177.584 -0.097 0.000 1.068 144 A CA -0.687 51.309 52.037 -0.068 0.000 0.743 144 A CB 1.317 20.312 19.000 -0.009 0.000 1.258 144 A HN 0.582 nan 8.150 nan 0.000 0.429 145 E N 0.765 120.892 120.200 -0.122 0.000 2.312 145 E HA 0.518 4.868 4.350 -0.000 0.000 0.259 145 E C 0.502 177.002 176.600 -0.166 0.000 1.122 145 E CA -0.281 56.026 56.400 -0.156 0.000 0.922 145 E CB 1.228 30.845 29.700 -0.140 0.000 1.109 145 E HN 0.817 nan 8.360 nan 0.000 0.442 146 A N 1.126 123.780 122.820 -0.278 0.000 2.561 146 A HA 0.308 4.627 4.320 -0.000 0.000 0.234 146 A C 0.389 177.911 177.584 -0.103 0.000 1.055 146 A CA 0.713 52.555 52.037 -0.325 0.000 0.756 146 A CB -0.150 18.547 19.000 -0.505 0.000 0.986 146 A HN 0.630 nan 8.150 nan 0.000 0.505 147 S N 0.757 116.467 115.700 0.017 0.000 2.661 147 S HA 0.617 5.087 4.470 -0.000 0.000 0.268 147 S C -2.822 171.729 174.600 -0.082 0.000 1.162 147 S CA -0.632 57.554 58.200 -0.024 0.000 0.817 147 S CB 0.887 64.116 63.200 0.049 0.000 1.141 147 S HN 0.197 nan 8.310 nan 0.000 0.477 148 P HA 0.057 nan 4.420 nan 0.000 0.225 148 P C 1.160 178.259 177.300 -0.335 0.000 1.148 148 P CA 1.105 63.904 63.100 -0.500 0.000 0.779 148 P CB 0.062 31.146 31.700 -1.027 0.000 0.780 149 E N -1.656 118.393 120.200 -0.252 0.000 2.152 149 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 149 E C 1.697 178.331 176.600 0.055 0.000 0.983 149 E CA 0.681 57.117 56.400 0.059 0.000 0.818 149 E CB -0.476 29.393 29.700 0.283 0.000 0.758 149 E HN 0.183 nan 8.360 nan 0.000 0.467 150 W N 1.054 122.291 121.300 -0.104 0.000 2.388 150 W HA -0.107 4.552 4.660 -0.000 0.000 0.294 150 W C 2.057 178.515 176.519 -0.102 0.000 1.212 150 W CA 1.995 59.273 57.345 -0.112 0.000 1.271 150 W CB -0.487 28.907 29.460 -0.110 0.000 1.126 150 W HN -0.043 nan 8.180 nan 0.000 0.535 151 T N 1.386 115.889 114.554 -0.085 0.000 2.746 151 T HA -0.216 4.133 4.350 -0.000 0.000 0.267 151 T C 1.941 176.484 174.700 -0.261 0.000 1.039 151 T CA 1.797 63.757 62.100 -0.234 0.000 1.142 151 T CB -0.573 68.307 68.868 0.020 0.000 0.866 151 T HN 0.115 nan 8.240 nan 0.000 0.444 152 L N 0.682 121.842 121.223 -0.106 0.000 2.046 152 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 152 L C 2.919 179.729 176.870 -0.101 0.000 1.077 152 L CA 1.444 56.251 54.840 -0.055 0.000 0.747 152 L CB -0.458 41.630 42.059 0.049 0.000 0.896 152 L HN 0.331 nan 8.230 nan 0.000 0.432 153 Q N -0.722 118.996 119.800 -0.136 0.000 2.119 153 Q HA -0.195 4.145 4.340 -0.000 0.000 0.201 153 Q C 2.078 177.981 176.000 -0.160 0.000 0.972 153 Q CA 1.028 56.777 55.803 -0.091 0.000 0.847 153 Q CB -0.004 28.611 28.738 -0.205 0.000 0.903 153 Q HN 0.414 nan 8.270 nan 0.000 0.433 154 E N 0.567 120.484 120.200 -0.470 0.000 2.150 154 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 154 E C 1.903 178.250 176.600 -0.422 0.000 0.985 154 E CA 0.742 56.828 56.400 -0.523 0.000 0.814 154 E CB -0.013 29.149 29.700 -0.897 0.000 0.752 154 E HN 0.093 nan 8.360 nan 0.000 0.466 155 R N 0.061 120.257 120.500 -0.507 0.000 2.092 155 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 155 R C 1.911 177.911 176.300 -0.500 0.000 1.119 155 R CA 1.374 57.013 56.100 -0.768 0.000 0.970 155 R CB -0.841 28.767 30.300 -1.153 0.000 0.864 155 R HN 0.256 nan 8.270 nan 0.000 0.440 156 W N 1.006 122.136 121.300 -0.284 0.000 2.335 156 W HA -0.186 4.474 4.660 -0.001 0.000 0.311 156 W C 1.813 178.329 176.519 -0.004 0.000 1.213 156 W CA 1.895 59.230 57.345 -0.017 0.000 1.274 156 W CB -0.120 29.393 29.460 0.089 0.000 1.148 156 W HN 0.011 nan 8.180 nan 0.000 0.498 157 R N -0.033 120.612 120.500 0.242 0.000 2.081 157 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 157 R C 2.436 178.636 176.300 -0.168 0.000 1.131 157 R CA 1.631 57.775 56.100 0.074 0.000 0.960 157 R CB -1.032 29.331 30.300 0.105 0.000 0.856 157 R HN 0.271 nan 8.270 nan 0.000 0.436 158 A N 0.856 123.520 122.820 -0.260 0.000 1.877 158 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 158 A C 1.869 179.312 177.584 -0.235 0.000 1.186 158 A CA 1.255 53.110 52.037 -0.304 0.000 0.620 158 A CB -0.581 18.133 19.000 -0.477 0.000 0.822 158 A HN 0.175 nan 8.150 nan 0.000 0.443 159 F N 0.199 119.985 119.950 -0.274 0.000 2.171 159 F HA -0.064 4.463 4.527 0.000 0.000 0.300 159 F C 2.812 178.442 175.800 -0.284 0.000 1.090 159 F CA 0.362 58.204 58.000 -0.262 0.000 1.293 159 F CB -1.012 37.816 39.000 -0.285 0.000 1.013 159 F HN 0.273 nan 8.300 nan 0.000 0.486 160 A N -0.016 122.651 122.820 -0.255 0.000 1.877 160 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 160 A C 2.478 180.019 177.584 -0.072 0.000 1.186 160 A CA 1.971 53.824 52.037 -0.307 0.000 0.620 160 A CB -1.316 17.295 19.000 -0.648 0.000 0.822 160 A HN 0.289 nan 8.150 nan 0.000 0.443 161 A N -0.344 122.428 122.820 -0.080 0.000 1.933 161 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 161 A C 2.002 179.582 177.584 -0.007 0.000 1.175 161 A CA 1.864 53.882 52.037 -0.031 0.000 0.628 161 A CB -0.557 18.412 19.000 -0.052 0.000 0.814 161 A HN 0.698 nan 8.150 nan 0.000 0.444 162 E N -0.282 119.921 120.200 0.005 0.000 2.204 162 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 162 E C 1.379 178.009 176.600 0.050 0.000 0.990 162 E CA 1.117 57.537 56.400 0.033 0.000 0.821 162 E CB -0.028 29.720 29.700 0.080 0.000 0.750 162 E HN 0.531 nan 8.360 nan 0.000 0.477 163 E N -0.708 119.541 120.200 0.081 0.000 2.427 163 E HA -0.002 4.348 4.350 -0.000 0.000 0.196 163 E C 1.107 177.848 176.600 0.236 0.000 1.028 163 E CA 0.823 57.315 56.400 0.153 0.000 0.864 163 E CB 0.747 30.541 29.700 0.156 0.000 0.813 163 E HN 0.462 nan 8.360 nan 0.000 0.514 164 G N 0.788 109.641 108.800 0.089 0.000 2.148 164 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.203 164 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.203 164 G C 0.031 174.653 174.900 -0.463 0.000 0.993 164 G CA -0.285 44.711 45.100 -0.174 0.000 0.661 164 G HN 0.186 nan 8.290 nan 0.000 0.518 165 F N 2.123 122.049 119.950 -0.041 0.000 2.531 165 F HA 0.367 4.894 4.527 -0.000 0.000 0.333 165 F C -1.813 173.961 175.800 -0.044 0.000 1.292 165 F CA -1.992 55.989 58.000 -0.032 0.000 1.184 165 F CB 1.718 40.701 39.000 -0.029 0.000 1.426 165 F HN -0.080 nan 8.300 nan 0.000 0.559 166 P HA 0.096 nan 4.420 nan 0.000 0.268 166 P C -0.357 176.999 177.300 0.093 0.000 1.205 166 P CA 0.165 63.289 63.100 0.039 0.000 0.771 166 P CB 2.159 33.861 31.700 0.004 0.000 0.858 167 V N 2.537 122.523 119.914 0.120 0.000 2.630 167 V HA 0.243 4.363 4.120 -0.000 0.000 0.305 167 V C 0.780 176.970 176.094 0.160 0.000 1.046 167 V CA -0.876 61.544 62.300 0.200 0.000 0.934 167 V CB 1.369 33.421 31.823 0.382 0.000 1.003 167 V HN 0.617 nan 8.190 nan 0.000 0.451 168 E N 3.227 123.522 120.200 0.158 0.000 2.415 168 E HA 0.196 4.546 4.350 -0.000 0.000 0.262 168 E C -0.225 176.434 176.600 0.099 0.000 1.038 168 E CA -0.198 56.270 56.400 0.113 0.000 0.921 168 E CB 0.703 30.471 29.700 0.113 0.000 0.950 168 E HN 0.539 nan 8.360 nan 0.000 0.438 169 R N 1.907 122.439 120.500 0.054 0.000 2.670 169 R HA 0.392 4.732 4.340 -0.000 0.000 0.289 169 R C -0.132 176.172 176.300 0.007 0.000 0.965 169 R CA 0.268 56.377 56.100 0.015 0.000 0.899 169 R CB 1.465 31.768 30.300 0.004 0.000 1.173 169 R HN 0.809 nan 8.270 nan 0.000 0.456 170 G N 3.002 111.792 108.800 -0.017 0.000 2.198 170 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 170 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 170 G C 0.344 175.242 174.900 -0.003 0.000 1.025 170 G CA 0.540 45.628 45.100 -0.021 0.000 0.769 170 G HN 0.526 nan 8.290 nan 0.000 0.507 171 L N -0.304 120.938 121.223 0.031 0.000 2.027 171 L HA 0.112 4.451 4.340 -0.000 0.000 0.206 171 L C 2.351 179.267 176.870 0.076 0.000 1.074 171 L CA 2.893 57.769 54.840 0.061 0.000 0.745 171 L CB -0.718 41.405 42.059 0.107 0.000 0.898 171 L HN 0.542 nan 8.230 nan 0.000 0.433 172 H N -0.885 118.133 119.070 -0.086 0.000 2.319 172 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 172 H C 2.027 177.233 175.328 -0.202 0.000 1.092 172 H CA 1.165 57.116 56.048 -0.161 0.000 1.302 172 H CB 0.244 29.820 29.762 -0.309 0.000 1.373 172 H HN 0.517 nan 8.280 nan 0.000 0.497 173 A N 0.927 123.651 122.820 -0.160 0.000 1.933 173 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 173 A C 2.307 179.777 177.584 -0.190 0.000 1.175 173 A CA 1.622 53.505 52.037 -0.257 0.000 0.628 173 A CB -0.474 18.413 19.000 -0.188 0.000 0.814 173 A HN 0.466 nan 8.150 nan 0.000 0.444 174 K N -0.818 119.515 120.400 -0.111 0.000 2.025 174 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 174 K C 2.308 178.824 176.600 -0.140 0.000 1.049 174 K CA 1.487 57.717 56.287 -0.095 0.000 0.933 174 K CB -0.153 32.322 32.500 -0.041 0.000 0.714 174 K HN 0.236 nan 8.250 nan 0.000 0.438 175 R N 1.250 121.669 120.500 -0.135 0.000 2.091 175 R HA -0.045 4.295 4.340 -0.000 0.000 0.238 175 R C 2.132 178.178 176.300 -0.423 0.000 1.136 175 R CA 1.403 57.347 56.100 -0.260 0.000 0.959 175 R CB -0.763 29.462 30.300 -0.126 0.000 0.856 175 R HN 0.292 nan 8.270 nan 0.000 0.437 176 L N 0.377 121.407 121.223 -0.323 0.000 2.079 176 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 176 L C 2.166 178.811 176.870 -0.376 0.000 1.081 176 L CA 1.418 56.008 54.840 -0.416 0.000 0.752 176 L CB -0.382 41.309 42.059 -0.615 0.000 0.896 176 L HN 0.146 nan 8.230 nan 0.000 0.433 177 K N 0.155 120.383 120.400 -0.287 0.000 2.062 177 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 177 K C 1.848 178.329 176.600 -0.198 0.000 1.051 177 K CA 1.144 57.313 56.287 -0.198 0.000 0.941 177 K CB -0.310 32.109 32.500 -0.135 0.000 0.719 177 K HN 0.436 nan 8.250 nan 0.000 0.440 178 E N 0.938 120.996 120.200 -0.237 0.000 2.085 178 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 178 E C 2.102 178.516 176.600 -0.309 0.000 0.994 178 E CA 1.161 57.453 56.400 -0.180 0.000 0.801 178 E CB -0.179 29.453 29.700 -0.114 0.000 0.743 178 E HN -0.035 nan 8.360 nan 0.000 0.453 179 V N 1.362 120.856 119.914 -0.700 0.000 2.358 179 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 179 V C 2.329 178.247 176.094 -0.294 0.000 1.047 179 V CA 1.956 63.797 62.300 -0.764 0.000 1.035 179 V CB -0.450 30.672 31.823 -1.169 0.000 0.658 179 V HN 0.269 nan 8.190 nan 0.000 0.452 180 E N 0.264 120.332 120.200 -0.219 0.000 2.118 180 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 180 E C 2.296 178.868 176.600 -0.046 0.000 0.992 180 E CA 1.468 57.815 56.400 -0.089 0.000 0.804 180 E CB -0.136 29.526 29.700 -0.064 0.000 0.741 180 E HN 0.778 nan 8.360 nan 0.000 0.458 181 E N 0.399 120.570 120.200 -0.048 0.000 2.077 181 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 181 E C 1.901 178.514 176.600 0.022 0.000 0.989 181 E CA 1.309 57.706 56.400 -0.005 0.000 0.800 181 E CB -0.192 29.512 29.700 0.006 0.000 0.746 181 E HN 0.271 nan 8.360 nan 0.000 0.452 182 A N 1.524 124.373 122.820 0.048 0.000 1.929 182 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 182 A C 2.400 180.012 177.584 0.047 0.000 1.176 182 A CA 1.017 53.102 52.037 0.079 0.000 0.628 182 A CB -0.575 18.543 19.000 0.197 0.000 0.816 182 A HN 0.297 nan 8.150 nan 0.000 0.444 183 L N -1.066 120.174 121.223 0.029 0.000 2.046 183 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 183 L C 2.860 179.749 176.870 0.033 0.000 1.077 183 L CA 1.491 56.353 54.840 0.037 0.000 0.747 183 L CB -0.495 41.587 42.059 0.038 0.000 0.896 183 L HN 0.340 nan 8.230 nan 0.000 0.432 184 R N -0.265 120.250 120.500 0.024 0.000 2.070 184 R HA -0.189 4.151 4.340 -0.000 0.000 0.233 184 R C 2.460 178.773 176.300 0.021 0.000 1.137 184 R CA 1.585 57.698 56.100 0.022 0.000 0.945 184 R CB -0.380 29.930 30.300 0.016 0.000 0.845 184 R HN 0.244 nan 8.270 nan 0.000 0.430 185 R N 0.980 121.492 120.500 0.020 0.000 2.105 185 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 185 R C 1.742 178.052 176.300 0.017 0.000 1.135 185 R CA 1.305 57.415 56.100 0.017 0.000 0.967 185 R CB -0.164 30.146 30.300 0.017 0.000 0.861 185 R HN 0.211 nan 8.270 nan 0.000 0.442 186 L N -0.138 121.098 121.223 0.023 0.000 2.599 186 L HA 0.171 4.511 4.340 -0.000 0.000 0.230 186 L C 1.048 177.933 176.870 0.024 0.000 1.141 186 L CA 0.539 55.393 54.840 0.023 0.000 0.877 186 L CB 0.269 42.346 42.059 0.030 0.000 1.009 186 L HN 0.600 nan 8.230 nan 0.000 0.447 187 G N -0.143 108.672 108.800 0.024 0.000 2.147 187 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 187 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 187 G C 0.432 175.350 174.900 0.030 0.000 1.005 187 G CA -0.075 45.040 45.100 0.025 0.000 0.713 187 G HN 0.166 nan 8.290 nan 0.000 0.515 188 L N -0.025 121.220 121.223 0.036 0.000 2.592 188 L HA 0.297 4.637 4.340 -0.000 0.000 0.227 188 L C 1.466 178.362 176.870 0.043 0.000 1.127 188 L CA 0.781 55.647 54.840 0.042 0.000 0.884 188 L CB -0.814 41.277 42.059 0.053 0.000 1.065 188 L HN 0.490 nan 8.230 nan 0.000 0.457 189 K N 0.346 120.770 120.400 0.039 0.000 4.040 189 K HA -0.168 4.152 4.320 -0.000 0.000 0.279 189 K C -2.152 174.475 176.600 0.046 0.000 0.890 189 K CA -0.098 56.212 56.287 0.038 0.000 0.782 189 K CB -1.358 31.163 32.500 0.036 0.000 1.613 189 K HN 0.266 nan 8.250 nan 0.000 0.440 190 P HA -0.004 nan 4.420 nan 0.000 0.268 190 P C -0.466 176.871 177.300 0.062 0.000 1.204 190 P CA 0.338 63.478 63.100 0.067 0.000 0.768 190 P CB 0.750 32.495 31.700 0.075 0.000 0.842 191 R N 2.024 122.563 120.500 0.066 0.000 2.476 191 R HA 0.444 4.783 4.340 -0.000 0.000 0.305 191 R C -0.325 176.010 176.300 0.057 0.000 0.965 191 R CA -0.413 55.719 56.100 0.054 0.000 0.867 191 R CB 1.813 32.140 30.300 0.044 0.000 1.176 191 R HN 0.401 nan 8.270 nan 0.000 0.447 192 T N 2.996 117.582 114.554 0.053 0.000 2.859 192 T HA 0.564 4.914 4.350 -0.000 0.000 0.281 192 T C -0.163 174.531 174.700 -0.009 0.000 1.005 192 T CA -0.630 61.490 62.100 0.033 0.000 1.025 192 T CB 1.851 70.769 68.868 0.083 0.000 0.977 192 T HN 0.425 nan 8.240 nan 0.000 0.458 193 R N 1.690 122.155 120.500 -0.058 0.000 2.604 193 R HA 0.301 4.641 4.340 -0.000 0.000 0.270 193 R C -1.251 174.991 176.300 -0.096 0.000 1.052 193 R CA -0.692 55.378 56.100 -0.051 0.000 0.902 193 R CB 1.641 31.931 30.300 -0.018 0.000 1.233 193 R HN 0.725 nan 8.270 nan 0.000 0.455 194 E N 3.264 123.421 120.200 -0.072 0.000 2.223 194 E HA 0.131 4.481 4.350 -0.000 0.000 0.282 194 E C 0.307 176.899 176.600 -0.013 0.000 1.046 194 E CA -0.358 55.999 56.400 -0.071 0.000 0.857 194 E CB 1.260 30.934 29.700 -0.044 0.000 1.055 194 E HN 0.525 nan 8.360 nan 0.000 0.409 195 V N 1.381 121.311 119.914 0.027 0.000 3.643 195 V HA 0.583 4.703 4.120 -0.000 0.000 0.280 195 V C 0.267 176.399 176.094 0.063 0.000 1.351 195 V CA 0.424 62.754 62.300 0.050 0.000 1.073 195 V CB 0.002 31.866 31.823 0.069 0.000 0.863 195 V HN 0.572 nan 8.190 nan 0.000 0.436 196 A N 0.458 123.356 122.820 0.129 0.000 2.594 196 A HA 0.858 5.178 4.320 -0.000 0.000 0.296 196 A C -0.764 177.023 177.584 0.338 0.000 1.061 196 A CA -0.741 51.403 52.037 0.179 0.000 0.689 196 A CB 1.828 20.866 19.000 0.064 0.000 1.280 196 A HN 0.399 nan 8.150 nan 0.000 0.406 197 R N 0.924 121.643 120.500 0.366 0.000 2.548 197 R HA 0.648 4.988 4.340 -0.000 0.000 0.280 197 R C -1.781 174.750 176.300 0.386 0.000 1.061 197 R CA -0.385 55.876 56.100 0.268 0.000 0.915 197 R CB 1.362 31.712 30.300 0.083 0.000 1.210 197 R HN 1.338 nan 8.270 nan 0.000 0.442 198 W N 1.924 123.224 121.300 -0.001 0.000 3.005 198 W HA 0.561 5.222 4.660 0.000 0.000 0.343 198 W C -1.826 174.706 176.519 0.021 0.000 1.243 198 W CA -1.115 56.232 57.345 0.003 0.000 1.186 198 W CB 0.956 30.411 29.460 -0.007 0.000 1.453 198 W HN 0.325 nan 8.180 nan 0.000 0.575 199 R N 1.848 122.418 120.500 0.117 0.000 2.599 199 R HA 0.441 4.781 4.340 -0.000 0.000 0.295 199 R C -0.593 175.815 176.300 0.180 0.000 0.963 199 R CA -0.850 55.260 56.100 0.017 0.000 0.883 199 R CB 2.427 32.744 30.300 0.028 0.000 1.171 199 R HN 0.676 nan 8.270 nan 0.000 0.450 200 E N 1.506 121.787 120.200 0.135 0.000 2.378 200 E HA 0.369 4.719 4.350 -0.000 0.000 0.265 200 E C -1.011 175.626 176.600 0.062 0.000 0.932 200 E CA -1.024 55.483 56.400 0.179 0.000 0.795 200 E CB 1.941 31.818 29.700 0.295 0.000 1.296 200 E HN 0.349 nan 8.360 nan 0.000 0.438 201 E N 0.594 120.805 120.200 0.018 0.000 2.266 201 E HA 0.437 4.787 4.350 -0.000 0.000 0.277 201 E C -0.666 175.827 176.600 -0.179 0.000 1.018 201 E CA -0.625 55.723 56.400 -0.086 0.000 0.840 201 E CB 1.775 31.436 29.700 -0.065 0.000 1.082 201 E HN 0.299 nan 8.360 nan 0.000 0.395 202 R N 0.913 121.140 120.500 -0.455 0.000 2.626 202 R HA 0.244 4.584 4.340 -0.000 0.000 0.274 202 R C -1.078 174.671 176.300 -0.919 0.000 1.031 202 R CA -0.375 55.393 56.100 -0.553 0.000 0.898 202 R CB 1.608 31.643 30.300 -0.442 0.000 1.222 202 R HN 0.671 nan 8.270 nan 0.000 0.455 203 T N 0.555 114.864 114.554 -0.409 0.000 2.944 203 T HA 0.436 4.786 4.350 -0.000 0.000 0.284 203 T C -2.089 172.651 174.700 0.066 0.000 1.010 203 T CA -1.990 59.987 62.100 -0.205 0.000 1.025 203 T CB 1.803 70.647 68.868 -0.039 0.000 1.079 203 T HN 0.300 nan 8.240 nan 0.000 0.516 204 P HA -0.054 nan 4.420 nan 0.000 0.216 204 P C 1.675 179.031 177.300 0.094 0.000 1.150 204 P CA 0.870 64.146 63.100 0.293 0.000 0.837 204 P CB 0.072 31.897 31.700 0.208 0.000 0.786 205 R N 0.410 120.961 120.500 0.084 0.000 2.073 205 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 205 R C 2.003 178.360 176.300 0.095 0.000 1.134 205 R CA 1.712 57.865 56.100 0.088 0.000 0.952 205 R CB -0.401 30.015 30.300 0.194 0.000 0.850 205 R HN 0.199 nan 8.270 nan 0.000 0.433 206 E N -0.159 120.093 120.200 0.087 0.000 2.110 206 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 206 E C 1.944 178.603 176.600 0.098 0.000 0.988 206 E CA 1.132 57.583 56.400 0.085 0.000 0.804 206 E CB -0.102 29.622 29.700 0.039 0.000 0.745 206 E HN 0.467 nan 8.360 nan 0.000 0.458 207 A N 1.088 123.978 122.820 0.116 0.000 1.898 207 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 207 A C 2.178 179.810 177.584 0.080 0.000 1.181 207 A CA 0.973 53.108 52.037 0.164 0.000 0.620 207 A CB -0.556 18.600 19.000 0.259 0.000 0.819 207 A HN 0.121 nan 8.150 nan 0.000 0.442 208 L N -0.637 120.542 121.223 -0.074 0.000 2.083 208 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 208 L C 2.531 179.393 176.870 -0.014 0.000 1.083 208 L CA 1.612 56.269 54.840 -0.304 0.000 0.752 208 L CB -0.487 40.895 42.059 -1.127 0.000 0.899 208 L HN 0.456 nan 8.230 nan 0.000 0.433 209 E N -0.088 120.201 120.200 0.148 0.000 2.150 209 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 209 E C 2.292 178.996 176.600 0.173 0.000 0.985 209 E CA 0.941 57.508 56.400 0.279 0.000 0.814 209 E CB -0.142 29.715 29.700 0.260 0.000 0.752 209 E HN 0.508 nan 8.360 nan 0.000 0.466 210 A N 1.088 123.983 122.820 0.125 0.000 1.898 210 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 210 A C 2.153 179.785 177.584 0.081 0.000 1.181 210 A CA 0.955 53.030 52.037 0.063 0.000 0.620 210 A CB -0.491 18.582 19.000 0.122 0.000 0.819 210 A HN 0.123 nan 8.150 nan 0.000 0.442 211 L N -0.881 120.428 121.223 0.143 0.000 2.056 211 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 211 L C 2.874 179.879 176.870 0.225 0.000 1.078 211 L CA 1.321 56.218 54.840 0.095 0.000 0.749 211 L CB -0.439 41.637 42.059 0.028 0.000 0.901 211 L HN 0.312 nan 8.230 nan 0.000 0.433 212 S N -0.216 115.645 115.700 0.268 0.000 2.370 212 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 212 S C 1.611 176.409 174.600 0.329 0.000 1.033 212 S CA 1.447 59.858 58.200 0.352 0.000 1.011 212 S CB -0.221 63.214 63.200 0.393 0.000 0.852 212 S HN 0.448 nan 8.310 nan 0.000 0.457 213 E N 0.373 120.687 120.200 0.190 0.000 2.494 213 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 213 E C -0.049 176.565 176.600 0.023 0.000 1.074 213 E CA -0.160 56.303 56.400 0.104 0.000 0.867 213 E CB 0.026 29.768 29.700 0.071 0.000 0.924 213 E HN 0.310 nan 8.360 nan 0.000 0.502 214 R N 0.050 120.542 120.500 -0.014 0.000 3.416 214 R HA -0.214 4.126 4.340 -0.000 0.000 0.263 214 R C 0.467 176.665 176.300 -0.171 0.000 1.053 214 R CA 0.225 56.204 56.100 -0.202 0.000 0.705 214 R CB -2.301 27.845 30.300 -0.257 0.000 1.124 214 R HN 0.311 nan 8.270 nan 0.000 0.444 215 L N -0.415 120.698 121.223 -0.184 0.000 2.599 215 L HA 0.049 4.389 4.340 -0.000 0.000 0.230 215 L C 0.231 176.921 176.870 -0.299 0.000 1.141 215 L CA 0.624 55.337 54.840 -0.211 0.000 0.877 215 L CB -0.032 41.864 42.059 -0.272 0.000 1.009 215 L HN 0.152 nan 8.230 nan 0.000 0.447 216 Y N -0.928 119.271 120.300 -0.168 0.000 2.352 216 Y HA 0.107 4.657 4.550 -0.000 0.000 0.339 216 Y C 1.607 177.374 175.900 -0.222 0.000 0.992 216 Y CA -0.814 57.192 58.100 -0.157 0.000 1.100 216 Y CB 1.637 39.916 38.460 -0.301 0.000 1.192 216 Y HN -0.040 nan 8.280 nan 0.000 0.458 217 S N 2.262 118.055 115.700 0.156 0.000 2.402 217 S HA -0.297 4.172 4.470 -0.000 0.000 0.233 217 S C 1.755 176.410 174.600 0.091 0.000 1.030 217 S CA 1.707 59.980 58.200 0.122 0.000 1.003 217 S CB -1.008 62.350 63.200 0.263 0.000 0.813 217 S HN 0.742 nan 8.310 nan 0.000 0.477 218 F N 3.405 123.383 119.950 0.048 0.000 2.451 218 F HA 0.078 4.605 4.527 -0.000 0.000 0.299 218 F C 2.158 177.945 175.800 -0.021 0.000 1.101 218 F CA 1.023 59.033 58.000 0.017 0.000 1.436 218 F CB -1.517 37.467 39.000 -0.027 0.000 1.074 218 F HN 0.316 nan 8.300 nan 0.000 0.553 219 T N -3.249 110.810 114.554 -0.825 0.000 3.107 219 T HA 0.041 4.391 4.350 -0.000 0.000 0.249 219 T C 1.355 175.907 174.700 -0.248 0.000 1.096 219 T CA 0.049 61.734 62.100 -0.691 0.000 1.012 219 T CB -0.265 67.962 68.868 -1.068 0.000 0.977 219 T HN 0.386 nan 8.240 nan 0.000 0.527 220 Q N 0.858 120.566 119.800 -0.153 0.000 2.432 220 Q HA 0.196 4.536 4.340 -0.000 0.000 0.205 220 Q C 2.316 178.320 176.000 0.007 0.000 0.945 220 Q CA 0.948 56.702 55.803 -0.082 0.000 0.924 220 Q CB -0.417 28.286 28.738 -0.058 0.000 1.016 220 Q HN 0.696 nan 8.270 nan 0.000 0.503 221 G N 1.126 109.974 108.800 0.080 0.000 2.403 221 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 221 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 221 G C 0.852 175.819 174.900 0.113 0.000 1.154 221 G CA -0.138 45.029 45.100 0.112 0.000 0.784 221 G HN 0.173 nan 8.290 nan 0.000 0.538 222 L N 1.656 122.959 121.223 0.134 0.000 2.485 222 L HA 0.174 4.513 4.340 -0.000 0.000 0.275 222 L C -1.940 174.921 176.870 -0.015 0.000 1.207 222 L CA -1.569 53.309 54.840 0.063 0.000 0.855 222 L CB 0.406 42.515 42.059 0.083 0.000 1.114 222 L HN -0.005 nan 8.230 nan 0.000 0.485 223 P HA -0.056 nan 4.420 nan 0.000 0.266 223 P C 0.331 177.592 177.300 -0.065 0.000 1.195 223 P CA -0.062 62.984 63.100 -0.090 0.000 0.768 223 P CB 0.626 32.227 31.700 -0.166 0.000 0.838 224 E N 5.618 125.810 120.200 -0.013 0.000 2.130 224 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 224 E C -0.994 175.630 176.600 0.038 0.000 0.998 224 E CA 2.248 58.671 56.400 0.039 0.000 0.806 224 E CB -1.915 27.806 29.700 0.036 0.000 0.738 224 E HN 0.374 nan 8.360 nan 0.000 0.459 225 P HA -0.078 nan 4.420 nan 0.000 0.221 225 P C 1.334 178.584 177.300 -0.083 0.000 1.150 225 P CA 0.979 64.057 63.100 -0.038 0.000 0.800 225 P CB 0.099 31.771 31.700 -0.045 0.000 0.787 226 V N -0.754 119.055 119.914 -0.175 0.000 2.379 226 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 226 V C 2.460 178.484 176.094 -0.117 0.000 1.044 226 V CA 1.716 63.851 62.300 -0.276 0.000 1.036 226 V CB -1.400 30.000 31.823 -0.704 0.000 0.664 226 V HN 0.292 nan 8.190 nan 0.000 0.453 227 H N 0.559 119.572 119.070 -0.096 0.000 2.387 227 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 227 H C 2.253 177.625 175.328 0.074 0.000 1.090 227 H CA 1.684 57.768 56.048 0.060 0.000 1.332 227 H CB 0.186 30.036 29.762 0.146 0.000 1.386 227 H HN 0.405 nan 8.280 nan 0.000 0.516 228 A N 1.531 124.351 122.820 0.001 0.000 1.902 228 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 228 A C 2.581 180.121 177.584 -0.074 0.000 1.181 228 A CA 1.351 53.363 52.037 -0.043 0.000 0.623 228 A CB -0.481 18.520 19.000 0.002 0.000 0.818 228 A HN 0.422 nan 8.150 nan 0.000 0.443 229 R N -0.579 119.871 120.500 -0.084 0.000 2.075 229 R HA 0.005 4.345 4.340 -0.000 0.000 0.232 229 R C 0.890 177.099 176.300 -0.151 0.000 1.126 229 R CA 0.821 56.859 56.100 -0.102 0.000 0.963 229 R CB -0.630 29.611 30.300 -0.098 0.000 0.858 229 R HN 0.392 nan 8.270 nan 0.000 0.435 233 R N 1.364 121.778 120.500 -0.143 0.000 2.081 233 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 233 R C 2.340 178.546 176.300 -0.157 0.000 1.131 233 R CA 1.321 57.200 56.100 -0.369 0.000 0.960 233 R CB -0.125 29.572 30.300 -1.005 0.000 0.856 233 R HN 0.072 nan 8.270 nan 0.000 0.436 234 L N -0.685 120.548 121.223 0.016 0.000 2.056 234 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 234 L C 1.520 178.588 176.870 0.331 0.000 1.078 234 L CA 1.675 56.725 54.840 0.351 0.000 0.749 234 L CB -0.485 41.765 42.059 0.318 0.000 0.901 234 L HN 0.245 nan 8.230 nan 0.000 0.433 235 W N -0.451 120.961 121.300 0.186 0.000 2.358 235 W HA -0.185 4.475 4.660 0.000 0.000 0.303 235 W C 2.580 179.193 176.519 0.155 0.000 1.208 235 W CA 1.964 59.405 57.345 0.160 0.000 1.274 235 W CB -0.606 28.908 29.460 0.090 0.000 1.138 235 W HN 0.254 nan 8.180 nan 0.000 0.515 236 A N -1.070 121.967 122.820 0.362 0.000 1.933 236 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 236 A C 1.594 179.327 177.584 0.250 0.000 1.175 236 A CA 1.489 53.672 52.037 0.244 0.000 0.628 236 A CB -1.427 17.668 19.000 0.159 0.000 0.814 236 A HN 0.524 nan 8.150 nan 0.000 0.444 237 W N 0.638 122.032 121.300 0.157 0.000 2.381 237 W HA -0.053 4.606 4.660 -0.001 0.000 0.301 237 W C 2.362 178.951 176.519 0.116 0.000 1.205 237 W CA 1.995 59.444 57.345 0.172 0.000 1.285 237 W CB -0.142 29.506 29.460 0.313 0.000 1.133 237 W HN 0.326 nan 8.180 nan 0.000 0.521 238 A N 0.337 123.319 122.820 0.271 0.000 1.930 238 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 238 A C 1.765 179.307 177.584 -0.071 0.000 1.175 238 A CA 1.858 53.903 52.037 0.013 0.000 0.627 238 A CB -0.826 18.243 19.000 0.115 0.000 0.815 238 A HN 0.480 nan 8.150 nan 0.000 0.443 239 E N -0.367 119.865 120.200 0.053 0.000 2.204 239 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 239 E C 2.044 178.620 176.600 -0.040 0.000 0.990 239 E CA 0.887 57.317 56.400 0.050 0.000 0.821 239 E CB -0.188 29.588 29.700 0.126 0.000 0.750 239 E HN 0.641 nan 8.360 nan 0.000 0.477 240 A N 0.673 123.426 122.820 -0.111 0.000 2.030 240 A HA -0.034 4.285 4.320 -0.000 0.000 0.215 240 A C 1.647 179.071 177.584 -0.267 0.000 1.164 240 A CA 0.627 52.572 52.037 -0.153 0.000 0.697 240 A CB 0.311 19.239 19.000 -0.120 0.000 0.827 240 A HN -0.015 nan 8.150 nan 0.000 0.457 241 E N -0.908 119.002 120.200 -0.482 0.000 2.514 241 E HA 0.257 4.607 4.350 -0.000 0.000 0.215 241 E C 0.797 177.139 176.600 -0.430 0.000 0.946 241 E CA 0.093 56.154 56.400 -0.565 0.000 1.038 241 E CB 0.418 29.473 29.700 -1.076 0.000 1.069 241 E HN 0.524 nan 8.360 nan 0.000 0.503 242 L N 0.315 121.340 121.223 -0.331 0.000 2.769 242 L HA 0.264 4.604 4.340 -0.000 0.000 0.240 242 L C 1.039 177.869 176.870 -0.067 0.000 1.163 242 L CA 0.099 54.835 54.840 -0.173 0.000 0.962 242 L CB 0.127 42.119 42.059 -0.113 0.000 1.258 242 L HN 0.125 nan 8.230 nan 0.000 0.513 243 G N 0.771 109.530 108.800 -0.068 0.000 2.547 243 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.271 243 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.271 243 G C -0.093 174.816 174.900 0.014 0.000 1.209 243 G CA -0.015 45.073 45.100 -0.020 0.000 0.959 243 G HN 0.331 nan 8.290 nan 0.000 0.563 244 D N 1.394 121.814 120.400 0.033 0.000 2.389 244 D HA 0.226 4.865 4.640 -0.000 0.000 0.263 244 D C 1.927 178.271 176.300 0.074 0.000 1.255 244 D CA 0.039 54.070 54.000 0.051 0.000 0.914 244 D CB 0.133 40.962 40.800 0.049 0.000 1.116 244 D HN 0.415 nan 8.370 nan 0.000 0.502 245 L N 2.644 123.918 121.223 0.084 0.000 2.456 245 L HA -0.067 4.273 4.340 -0.000 0.000 0.224 245 L C 0.998 177.933 176.870 0.108 0.000 1.148 245 L CA 0.680 55.585 54.840 0.109 0.000 0.825 245 L CB -0.029 42.114 42.059 0.139 0.000 0.937 245 L HN 0.320 nan 8.230 nan 0.000 0.450 246 D N -0.088 120.364 120.400 0.087 0.000 2.368 246 D HA 0.049 4.689 4.640 -0.000 0.000 0.218 246 D C 0.722 177.051 176.300 0.049 0.000 1.112 246 D CA 0.120 54.160 54.000 0.066 0.000 0.834 246 D CB 0.364 41.200 40.800 0.060 0.000 0.953 246 D HN 0.165 nan 8.370 nan 0.000 0.505 247 R N 2.424 122.963 120.500 0.065 0.000 2.221 247 R HA 0.224 4.564 4.340 -0.000 0.000 0.327 247 R C -2.513 173.818 176.300 0.053 0.000 1.033 247 R CA -1.315 54.821 56.100 0.060 0.000 0.887 247 R CB 1.105 31.451 30.300 0.078 0.000 1.057 247 R HN -0.147 nan 8.270 nan 0.000 0.455 248 P HA 0.098 nan 4.420 nan 0.000 0.274 248 P C -1.210 176.078 177.300 -0.019 0.000 1.231 248 P CA -0.026 63.007 63.100 -0.111 0.000 0.790 248 P CB 0.500 32.142 31.700 -0.096 0.000 0.951 249 F N 0.141 120.116 119.950 0.042 0.000 2.593 249 F HA 0.802 5.329 4.527 -0.000 0.000 0.320 249 F C -2.854 172.969 175.800 0.038 0.000 1.060 249 F CA -3.413 54.610 58.000 0.037 0.000 0.940 249 F CB 0.558 39.583 39.000 0.041 0.000 1.268 249 F HN 0.075 nan 8.300 nan 0.000 0.475 250 P HA 0.425 nan 4.420 nan 0.000 0.284 250 P C -1.309 176.142 177.300 0.250 0.000 1.258 250 P CA -0.497 62.702 63.100 0.166 0.000 0.824 250 P CB 2.404 34.167 31.700 0.104 0.000 1.038 251 V N 1.885 121.879 119.914 0.134 0.000 2.482 251 V HA 0.260 4.380 4.120 -0.000 0.000 0.295 251 V C 0.225 176.287 176.094 -0.054 0.000 1.026 251 V CA -0.627 61.734 62.300 0.102 0.000 0.856 251 V CB 1.406 33.317 31.823 0.147 0.000 1.001 251 V HN 0.581 nan 8.190 nan 0.000 0.424 252 E N 4.923 125.063 120.200 -0.100 0.000 2.229 252 E HA 0.482 4.832 4.350 -0.000 0.000 0.283 252 E C -0.681 175.711 176.600 -0.346 0.000 1.030 252 E CA -0.384 55.886 56.400 -0.217 0.000 0.836 252 E CB 0.905 30.520 29.700 -0.141 0.000 1.068 252 E HN 0.614 nan 8.360 nan 0.000 0.401 253 K N 3.135 123.126 120.400 -0.683 0.000 2.433 253 K HA 0.592 4.912 4.320 -0.000 0.000 0.252 253 K C -0.915 175.171 176.600 -0.857 0.000 1.015 253 K CA -1.017 54.784 56.287 -0.809 0.000 0.860 253 K CB 2.025 33.858 32.500 -1.111 0.000 1.359 253 K HN 0.507 nan 8.250 nan 0.000 0.452 254 R N 0.082 120.293 120.500 -0.483 0.000 2.774 254 R HA 0.523 4.863 4.340 -0.000 0.000 0.272 254 R C -1.588 174.784 176.300 0.120 0.000 1.000 254 R CA -0.870 55.149 56.100 -0.135 0.000 0.906 254 R CB 1.147 31.391 30.300 -0.093 0.000 1.227 254 R HN 0.424 nan 8.270 nan 0.000 0.468 255 F N 2.096 122.104 119.950 0.096 0.000 2.507 255 F HA 0.474 5.001 4.527 -0.000 0.000 0.328 255 F C -1.292 174.379 175.800 -0.215 0.000 1.136 255 F CA -1.086 56.915 58.000 0.003 0.000 0.930 255 F CB 1.465 40.499 39.000 0.057 0.000 1.166 255 F HN 0.244 nan 8.300 nan 0.000 0.436 256 L N 6.398 127.054 121.223 -0.945 0.000 2.322 256 L HA 0.527 4.867 4.340 -0.000 0.000 0.279 256 L C -0.984 175.261 176.870 -1.040 0.000 1.036 256 L CA -0.956 53.278 54.840 -1.011 0.000 0.807 256 L CB 1.410 42.501 42.059 -1.614 0.000 1.226 256 L HN 0.599 nan 8.230 nan 0.000 0.433 257 L N 3.943 124.865 121.223 -0.502 0.000 2.349 257 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 257 L C -0.363 176.431 176.870 -0.126 0.000 0.996 257 L CA -0.305 54.403 54.840 -0.220 0.000 0.825 257 L CB 1.453 43.516 42.059 0.007 0.000 1.243 257 L HN 0.627 nan 8.230 nan 0.000 0.412 258 R N 4.292 124.809 120.500 0.028 0.000 2.310 258 R HA 0.725 5.065 4.340 -0.000 0.000 0.324 258 R C -1.753 174.635 176.300 0.146 0.000 0.955 258 R CA -0.535 55.654 56.100 0.148 0.000 0.830 258 R CB 1.341 31.855 30.300 0.357 0.000 1.154 258 R HN 0.546 nan 8.270 nan 0.000 0.458 259 V N 3.620 123.593 119.914 0.097 0.000 2.398 259 V HA 0.434 4.553 4.120 -0.000 0.000 0.286 259 V C -0.420 175.719 176.094 0.075 0.000 1.026 259 V CA -0.457 61.890 62.300 0.079 0.000 0.868 259 V CB 1.798 33.647 31.823 0.043 0.000 0.982 259 V HN 0.822 nan 8.190 nan 0.000 0.443 260 S N 4.134 119.881 115.700 0.078 0.000 2.536 260 S HA 0.801 5.271 4.470 -0.000 0.000 0.298 260 S C -0.549 174.079 174.600 0.047 0.000 1.083 260 S CA -0.823 57.419 58.200 0.069 0.000 0.995 260 S CB 2.147 65.402 63.200 0.091 0.000 1.058 260 S HN 0.769 nan 8.310 nan 0.000 0.488 261 R N 1.594 122.116 120.500 0.037 0.000 2.621 261 R HA 0.664 5.003 4.340 -0.000 0.000 0.292 261 R C -1.311 175.008 176.300 0.032 0.000 0.969 261 R CA -0.567 55.547 56.100 0.024 0.000 0.887 261 R CB 0.477 30.787 30.300 0.015 0.000 1.180 261 R HN 0.485 nan 8.270 nan 0.000 0.450 262 L N 0.000 121.240 121.223 0.029 0.000 2.949 262 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 262 L CA 0.000 54.858 54.840 0.029 0.000 0.813 262 L CB 0.000 42.074 42.059 0.024 0.000 0.961 262 L HN 0.000 nan 8.230 nan 0.000 0.502