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 2inc_1_B DATA FIRST_RESID 8 DATA SEQUENCE ALKPLKTWSH LAGNRRRPSE YEVVSTNLHY FTDNPERPWE LDSNLPMQTW DATA SEQUENCE YKKYCFDSPL KHDDWNAFRD PDQLVYRTYN LLQDGQESYV QGLFDQLNDR DATA SEQUENCE GHDQMLTREW VETLARFYTP ARYLFHALQM GSVYIHQIAP ASTITNCATY DATA SEQUENCE ETADHLRWLT HTAYRTRELA NCYPDVGFGK RERDVWENDP AWQGFRELIE DATA SEQUENCE KALIAWDWGE AFTAINLVTK PAVEEALLQQ LGSLAQSEGD TLLGLLAQAQ DATA SEQUENCE KRDAERHRRW SSALVKMALE KEGNREVLQK WVAKWEPLAD KAIEAYCSAL DATA SEQUENCE PDGENAIVEA KSASRYVRQM MG 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.587 177.584 0.006 0.000 1.274 8 A CA 0.000 52.039 52.037 0.004 0.000 0.836 8 A CB 0.000 19.002 19.000 0.004 0.000 0.831 9 L N 2.963 124.191 121.223 0.008 0.000 2.477 9 L HA 0.163 4.503 4.340 -0.000 0.000 0.272 9 L C 0.343 177.219 176.870 0.011 0.000 1.157 9 L CA -0.103 54.743 54.840 0.010 0.000 0.889 9 L CB 0.376 42.443 42.059 0.014 0.000 1.158 9 L HN 0.519 nan 8.230 nan 0.000 0.473 10 K N 4.295 124.701 120.400 0.009 0.000 2.218 10 K HA 0.362 4.682 4.320 -0.000 0.000 0.276 10 K C -1.956 174.650 176.600 0.009 0.000 1.022 10 K CA -1.767 54.524 56.287 0.007 0.000 0.946 10 K CB 0.396 32.898 32.500 0.003 0.000 1.000 10 K HN 0.285 nan 8.250 nan 0.000 0.468 11 P HA 0.013 nan 4.420 nan 0.000 0.264 11 P C -0.352 176.947 177.300 -0.001 0.000 1.179 11 P CA 0.261 63.364 63.100 0.006 0.000 0.763 11 P CB 0.396 32.095 31.700 -0.002 0.000 0.806 12 L N 2.306 123.529 121.223 -0.000 0.000 2.365 12 L HA 0.361 4.701 4.340 -0.000 0.000 0.267 12 L C 1.530 178.374 176.870 -0.044 0.000 1.033 12 L CA -0.746 54.087 54.840 -0.012 0.000 0.802 12 L CB 0.856 42.920 42.059 0.007 0.000 1.267 12 L HN 0.311 nan 8.230 nan 0.000 0.457 13 K N -0.726 119.639 120.400 -0.058 0.000 2.418 13 K HA 0.070 4.390 4.320 -0.000 0.000 0.195 13 K C 0.328 176.841 176.600 -0.145 0.000 1.035 13 K CA 0.451 56.686 56.287 -0.088 0.000 1.003 13 K CB 0.359 32.817 32.500 -0.071 0.000 0.793 13 K HN 0.644 nan 8.250 nan 0.000 0.494 14 T N -1.847 112.614 114.554 -0.154 0.000 2.665 14 T HA 0.252 4.601 4.350 -0.000 0.000 0.303 14 T C -1.606 172.995 174.700 -0.165 0.000 1.334 14 T CA -0.854 61.092 62.100 -0.257 0.000 1.011 14 T CB 0.218 68.965 68.868 -0.201 0.000 1.573 14 T HN 0.188 nan 8.240 nan 0.000 0.492 15 W N 2.004 123.232 121.300 -0.121 0.000 2.170 15 W HA 0.219 4.878 4.660 -0.000 0.000 0.342 15 W C 2.130 178.571 176.519 -0.131 0.000 1.294 15 W CA -0.060 57.216 57.345 -0.115 0.000 1.246 15 W CB 0.483 29.832 29.460 -0.185 0.000 1.156 15 W HN 0.882 nan 8.180 nan 0.000 0.572 16 S N 0.551 116.406 115.700 0.258 0.000 2.392 16 S HA -0.384 4.086 4.470 -0.000 0.000 0.232 16 S C 1.373 176.042 174.600 0.116 0.000 1.041 16 S CA 1.982 60.267 58.200 0.142 0.000 1.026 16 S CB -0.922 62.356 63.200 0.130 0.000 0.845 16 S HN 0.763 nan 8.310 nan 0.000 0.465 17 H N 0.579 119.714 119.070 0.108 0.000 2.546 17 H HA 0.345 4.901 4.556 -0.000 0.000 0.277 17 H C 1.483 176.857 175.328 0.076 0.000 1.004 17 H CA 0.865 56.951 56.048 0.063 0.000 1.231 17 H CB -0.318 29.454 29.762 0.017 0.000 1.382 17 H HN 0.415 nan 8.280 nan 0.000 0.580 18 L N 0.231 121.292 121.223 -0.271 0.000 2.693 18 L HA 0.448 4.788 4.340 -0.000 0.000 0.235 18 L C 0.878 177.705 176.870 -0.072 0.000 1.127 18 L CA -0.265 54.472 54.840 -0.171 0.000 0.914 18 L CB 0.249 42.173 42.059 -0.225 0.000 1.193 18 L HN 0.300 nan 8.230 nan 0.000 0.502 19 A N 0.735 123.531 122.820 -0.039 0.000 2.520 19 A HA 0.443 4.763 4.320 -0.000 0.000 0.245 19 A C 1.221 178.799 177.584 -0.011 0.000 1.072 19 A CA 0.707 52.732 52.037 -0.021 0.000 0.761 19 A CB -0.322 18.679 19.000 0.001 0.000 1.004 19 A HN 0.514 nan 8.150 nan 0.000 0.499 20 G N 2.119 110.911 108.800 -0.014 0.000 2.417 20 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.291 20 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.291 20 G C -0.032 174.865 174.900 -0.006 0.000 1.094 20 G CA 0.313 45.409 45.100 -0.007 0.000 1.146 20 G HN 0.826 nan 8.290 nan 0.000 0.519 21 N N -0.339 118.353 118.700 -0.012 0.000 2.177 21 N HA 0.290 5.030 4.740 -0.000 0.000 0.218 21 N C 1.507 177.013 175.510 -0.006 0.000 1.182 21 N CA 0.312 53.357 53.050 -0.008 0.000 0.882 21 N CB 0.243 38.721 38.487 -0.016 0.000 1.052 21 N HN 0.606 nan 8.380 nan 0.000 0.519 22 R N 0.621 121.116 120.500 -0.008 0.000 3.596 22 R HA -0.293 4.047 4.340 -0.000 0.000 0.259 22 R C -0.676 175.617 176.300 -0.012 0.000 0.674 22 R CA 2.351 58.447 56.100 -0.008 0.000 1.213 22 R CB -1.186 29.113 30.300 -0.002 0.000 0.823 22 R HN 0.488 nan 8.270 nan 0.000 0.604 23 R N 2.610 123.105 120.500 -0.009 0.000 2.522 23 R HA 0.157 4.497 4.340 -0.000 0.000 0.284 23 R C -0.044 176.245 176.300 -0.019 0.000 1.032 23 R CA 0.027 56.120 56.100 -0.011 0.000 1.049 23 R CB 0.226 30.523 30.300 -0.005 0.000 0.956 23 R HN 0.437 nan 8.270 nan 0.000 0.422 24 R N 3.933 124.417 120.500 -0.027 0.000 2.494 24 R HA -0.009 4.331 4.340 -0.000 0.000 0.291 24 R C -1.850 174.427 176.300 -0.037 0.000 0.953 24 R CA -0.824 55.251 56.100 -0.042 0.000 1.098 24 R CB 0.065 30.338 30.300 -0.044 0.000 0.911 24 R HN 0.526 nan 8.270 nan 0.000 0.407 25 P HA -0.049 nan 4.420 nan 0.000 0.265 25 P C -0.528 176.760 177.300 -0.022 0.000 1.193 25 P CA 0.154 63.231 63.100 -0.038 0.000 0.765 25 P CB 0.728 32.384 31.700 -0.073 0.000 0.823 26 S N 1.038 116.751 115.700 0.022 0.000 2.600 26 S HA 0.038 4.508 4.470 -0.000 0.000 0.265 26 S C 1.360 175.992 174.600 0.054 0.000 1.325 26 S CA -0.429 57.800 58.200 0.048 0.000 1.002 26 S CB 0.702 63.963 63.200 0.102 0.000 0.921 26 S HN 0.634 nan 8.310 nan 0.000 0.554 27 E N 0.481 120.719 120.200 0.063 0.000 2.097 27 E HA -0.295 4.054 4.350 -0.000 0.000 0.196 27 E C 1.674 178.346 176.600 0.119 0.000 1.000 27 E CA 1.624 58.068 56.400 0.074 0.000 0.804 27 E CB -0.380 29.366 29.700 0.077 0.000 0.740 27 E HN 0.860 nan 8.360 nan 0.000 0.454 28 Y N 1.561 121.885 120.300 0.040 0.000 2.081 28 Y HA -0.241 4.309 4.550 -0.000 0.000 0.280 28 Y C 1.939 177.877 175.900 0.064 0.000 1.163 28 Y CA 2.447 60.577 58.100 0.049 0.000 1.135 28 Y CB -0.299 38.178 38.460 0.028 0.000 0.970 28 Y HN 0.099 nan 8.280 nan 0.000 0.498 29 E N -0.684 119.482 120.200 -0.056 0.000 2.077 29 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 29 E C 2.262 178.866 176.600 0.007 0.000 0.989 29 E CA 1.538 57.871 56.400 -0.111 0.000 0.800 29 E CB -0.274 29.433 29.700 0.011 0.000 0.746 29 E HN 0.359 nan 8.360 nan 0.000 0.452 30 V N 1.127 121.080 119.914 0.066 0.000 2.332 30 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 30 V C 2.296 178.586 176.094 0.327 0.000 1.055 30 V CA 1.880 64.308 62.300 0.213 0.000 1.038 30 V CB -0.270 31.587 31.823 0.057 0.000 0.651 30 V HN 0.319 nan 8.190 nan 0.000 0.450 31 V N -4.010 115.982 119.914 0.131 0.000 3.621 31 V HA 0.269 4.389 4.120 -0.000 0.000 0.285 31 V C 1.408 177.495 176.094 -0.011 0.000 1.346 31 V CA 1.118 63.479 62.300 0.102 0.000 1.104 31 V CB 0.572 32.455 31.823 0.101 0.000 0.913 31 V HN 0.395 nan 8.190 nan 0.000 0.432 32 S N 0.590 116.213 115.700 -0.128 0.000 2.549 32 S HA 0.174 4.643 4.470 -0.000 0.000 0.225 32 S C 0.990 175.446 174.600 -0.240 0.000 1.039 32 S CA 0.513 58.563 58.200 -0.250 0.000 0.942 32 S CB 0.520 63.383 63.200 -0.563 0.000 0.881 32 S HN 0.822 nan 8.310 nan 0.000 0.503 33 T N 1.499 115.964 114.554 -0.149 0.000 2.875 33 T HA 0.467 4.816 4.350 -0.000 0.000 0.284 33 T C 0.027 174.607 174.700 -0.200 0.000 0.995 33 T CA -0.615 61.422 62.100 -0.106 0.000 1.060 33 T CB 0.488 69.396 68.868 0.067 0.000 0.967 33 T HN 0.283 nan 8.240 nan 0.000 0.476 34 N N 1.042 119.590 118.700 -0.253 0.000 2.758 34 N HA -0.130 4.609 4.740 -0.000 0.000 0.248 34 N C 0.306 175.598 175.510 -0.363 0.000 1.076 34 N CA 0.410 53.252 53.050 -0.347 0.000 0.696 34 N CB -1.054 37.092 38.487 -0.568 0.000 0.979 34 N HN 0.678 nan 8.380 nan 0.000 0.550 35 L N -0.913 120.115 121.223 -0.324 0.000 2.515 35 L HA 0.115 4.455 4.340 -0.000 0.000 0.223 35 L C 0.807 177.606 176.870 -0.119 0.000 1.079 35 L CA 0.134 54.831 54.840 -0.238 0.000 0.857 35 L CB -0.047 41.878 42.059 -0.222 0.000 1.050 35 L HN 0.251 nan 8.230 nan 0.000 0.476 36 H N -0.539 118.407 119.070 -0.207 0.000 2.722 36 H HA 0.018 4.574 4.556 -0.000 0.000 0.328 36 H C 0.248 175.395 175.328 -0.300 0.000 1.067 36 H CA -0.195 55.672 56.048 -0.301 0.000 1.447 36 H CB 0.759 30.233 29.762 -0.479 0.000 1.469 36 H HN 0.128 nan 8.280 nan 0.000 0.544 37 Y N 1.180 121.445 120.300 -0.058 0.000 2.442 37 Y HA 0.046 4.596 4.550 -0.000 0.000 0.250 37 Y C 1.484 177.269 175.900 -0.192 0.000 1.113 37 Y CA -0.740 57.287 58.100 -0.121 0.000 1.273 37 Y CB -0.543 37.884 38.460 -0.055 0.000 1.138 37 Y HN 0.558 nan 8.280 nan 0.000 0.522 38 F N 1.619 121.230 119.950 -0.565 0.000 2.333 38 F HA -0.017 4.510 4.527 -0.000 0.000 0.300 38 F C 1.833 177.496 175.800 -0.228 0.000 1.083 38 F CA 1.296 58.877 58.000 -0.698 0.000 1.395 38 F CB -1.280 36.804 39.000 -1.527 0.000 1.056 38 F HN 0.048 nan 8.300 nan 0.000 0.529 39 T N -3.429 110.715 114.554 -0.684 0.000 3.113 39 T HA -0.031 4.319 4.350 -0.000 0.000 0.256 39 T C 1.151 175.765 174.700 -0.144 0.000 1.131 39 T CA 0.684 62.642 62.100 -0.237 0.000 1.074 39 T CB -0.560 68.109 68.868 -0.330 0.000 0.944 39 T HN 0.222 nan 8.240 nan 0.000 0.516 40 D N 2.582 122.902 120.400 -0.133 0.000 2.178 40 D HA -0.031 4.609 4.640 -0.000 0.000 0.201 40 D C 0.121 176.355 176.300 -0.110 0.000 0.980 40 D CA 1.053 54.999 54.000 -0.091 0.000 0.842 40 D CB -0.236 40.539 40.800 -0.041 0.000 0.948 40 D HN 0.565 nan 8.370 nan 0.000 0.472 41 N N -0.203 118.419 118.700 -0.131 0.000 2.762 41 N HA 0.187 4.927 4.740 -0.000 0.000 0.252 41 N C -2.307 173.054 175.510 -0.248 0.000 1.269 41 N CA -0.982 51.979 53.050 -0.149 0.000 0.799 41 N CB 2.168 40.605 38.487 -0.083 0.000 1.173 41 N HN -0.170 nan 8.380 nan 0.000 0.516 42 P HA -0.158 nan 4.420 nan 0.000 0.223 42 P C 0.329 177.383 177.300 -0.410 0.000 1.144 42 P CA 1.251 63.816 63.100 -0.891 0.000 0.783 42 P CB 0.352 31.485 31.700 -0.945 0.000 0.771 43 E N -1.305 118.773 120.200 -0.205 0.000 2.385 43 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 43 E C 1.081 177.668 176.600 -0.022 0.000 1.013 43 E CA 0.368 56.719 56.400 -0.083 0.000 0.866 43 E CB -0.011 29.651 29.700 -0.063 0.000 0.832 43 E HN 0.084 nan 8.360 nan 0.000 0.500 44 R N 0.463 120.942 120.500 -0.034 0.000 2.984 44 R HA 0.155 4.495 4.340 -0.000 0.000 0.252 44 R C -2.372 173.910 176.300 -0.030 0.000 1.842 44 R CA -1.404 54.703 56.100 0.011 0.000 1.389 44 R CB 0.716 31.029 30.300 0.021 0.000 1.454 44 R HN -0.063 nan 8.270 nan 0.000 0.578 45 P HA -0.144 nan 4.420 nan 0.000 0.215 45 P C -0.460 176.546 177.300 -0.491 0.000 1.157 45 P CA 1.439 64.340 63.100 -0.331 0.000 0.874 45 P CB 0.161 31.515 31.700 -0.577 0.000 0.790 46 W N -1.085 120.265 121.300 0.083 0.000 2.578 46 W HA 0.398 5.058 4.660 -0.000 0.000 0.346 46 W C 0.718 177.275 176.519 0.064 0.000 1.075 46 W CA -0.842 56.539 57.345 0.061 0.000 1.233 46 W CB 0.474 29.922 29.460 -0.020 0.000 1.358 46 W HN -0.271 nan 8.180 nan 0.000 0.574 47 E N 2.287 122.679 120.200 0.320 0.000 2.515 47 E HA 0.329 4.679 4.350 -0.000 0.000 0.315 47 E C -1.001 175.675 176.600 0.127 0.000 1.523 47 E CA 0.333 56.833 56.400 0.167 0.000 1.704 47 E CB -0.684 29.089 29.700 0.123 0.000 1.395 47 E HN 0.386 nan 8.360 nan 0.000 0.490 48 L N -0.890 120.414 121.223 0.135 0.000 2.656 48 L HA 0.329 4.668 4.340 -0.000 0.000 0.252 48 L C -0.181 176.743 176.870 0.090 0.000 1.129 48 L CA -1.337 53.561 54.840 0.096 0.000 0.962 48 L CB 0.963 43.078 42.059 0.092 0.000 1.565 48 L HN 0.016 nan 8.230 nan 0.000 0.389 49 D N 0.489 120.931 120.400 0.070 0.000 2.525 49 D HA -0.051 4.589 4.640 -0.000 0.000 0.235 49 D C 0.870 177.222 176.300 0.087 0.000 1.137 49 D CA 0.632 54.670 54.000 0.065 0.000 0.868 49 D CB 1.297 42.127 40.800 0.050 0.000 1.180 49 D HN 0.606 nan 8.370 nan 0.000 0.465 50 S N 2.433 118.180 115.700 0.077 0.000 2.561 50 S HA -0.072 4.398 4.470 -0.000 0.000 0.225 50 S C 0.960 175.619 174.600 0.098 0.000 0.977 50 S CA 0.346 58.600 58.200 0.090 0.000 0.926 50 S CB -0.170 63.069 63.200 0.065 0.000 0.769 50 S HN 0.544 nan 8.310 nan 0.000 0.533 51 N N 0.468 119.217 118.700 0.083 0.000 2.236 51 N HA 0.364 5.103 4.740 -0.000 0.000 0.196 51 N C -0.320 175.243 175.510 0.087 0.000 1.114 51 N CA -0.215 52.883 53.050 0.080 0.000 0.859 51 N CB 0.116 38.638 38.487 0.058 0.000 0.982 51 N HN 0.317 nan 8.380 nan 0.000 0.493 52 L N 1.420 122.701 121.223 0.097 0.000 2.529 52 L HA -0.001 4.339 4.340 -0.000 0.000 0.287 52 L C -1.051 175.890 176.870 0.118 0.000 1.241 52 L CA -1.011 53.883 54.840 0.090 0.000 0.857 52 L CB 0.589 42.699 42.059 0.084 0.000 1.113 52 L HN -0.044 nan 8.230 nan 0.000 0.504 53 P HA -0.239 nan 4.420 nan 0.000 0.216 53 P C 1.415 178.844 177.300 0.216 0.000 1.154 53 P CA 1.345 64.528 63.100 0.139 0.000 0.865 53 P CB 0.122 31.878 31.700 0.093 0.000 0.789 54 M N -1.061 118.636 119.600 0.161 0.000 2.296 54 M HA -0.136 4.344 4.480 -0.000 0.000 0.265 54 M C 1.928 178.516 176.300 0.480 0.000 1.064 54 M CA 1.629 57.073 55.300 0.240 0.000 1.109 54 M CB -0.785 31.780 32.600 -0.059 0.000 1.396 54 M HN -0.139 nan 8.290 nan 0.000 0.430 55 Q N -1.234 118.811 119.800 0.408 0.000 2.046 55 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 55 Q C 2.029 178.250 176.000 0.369 0.000 0.975 55 Q CA 2.128 58.192 55.803 0.435 0.000 0.836 55 Q CB -0.909 28.006 28.738 0.294 0.000 0.896 55 Q HN 0.474 nan 8.270 nan 0.000 0.428 56 T N 1.204 115.926 114.554 0.280 0.000 2.720 56 T HA -0.163 4.186 4.350 -0.000 0.000 0.268 56 T C 1.215 176.023 174.700 0.180 0.000 1.037 56 T CA 1.003 63.218 62.100 0.192 0.000 1.144 56 T CB -0.299 68.648 68.868 0.131 0.000 0.864 56 T HN 0.436 nan 8.240 nan 0.000 0.444 57 W N 1.025 122.398 121.300 0.121 0.000 2.333 57 W HA -0.177 4.483 4.660 -0.000 0.000 0.316 57 W C 1.783 178.355 176.519 0.089 0.000 1.215 57 W CA 1.026 58.434 57.345 0.104 0.000 1.278 57 W CB -0.752 28.795 29.460 0.145 0.000 1.154 57 W HN 0.312 nan 8.180 nan 0.000 0.486 58 Y N 0.870 121.414 120.300 0.406 0.000 2.314 58 Y HA -0.139 4.411 4.550 -0.000 0.000 0.293 58 Y C 2.605 178.542 175.900 0.062 0.000 1.129 58 Y CA 2.048 60.254 58.100 0.176 0.000 1.201 58 Y CB -0.681 37.799 38.460 0.033 0.000 0.999 58 Y HN -0.093 nan 8.280 nan 0.000 0.541 59 K N 0.123 120.738 120.400 0.359 0.000 2.057 59 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 59 K C 2.096 178.794 176.600 0.164 0.000 1.050 59 K CA 1.552 58.081 56.287 0.403 0.000 0.935 59 K CB -0.109 32.578 32.500 0.311 0.000 0.715 59 K HN 0.190 nan 8.250 nan 0.000 0.439 60 K N -0.006 120.346 120.400 -0.079 0.000 2.062 60 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 60 K C 1.323 177.757 176.600 -0.276 0.000 1.051 60 K CA 1.279 57.374 56.287 -0.320 0.000 0.941 60 K CB 0.115 32.173 32.500 -0.737 0.000 0.719 60 K HN 0.077 nan 8.250 nan 0.000 0.440 61 Y N -1.071 119.195 120.300 -0.057 0.000 2.462 61 Y HA 0.102 4.652 4.550 -0.000 0.000 0.253 61 Y C 2.107 178.064 175.900 0.096 0.000 1.095 61 Y CA -0.510 57.572 58.100 -0.029 0.000 1.283 61 Y CB -0.223 38.122 38.460 -0.192 0.000 1.138 61 Y HN 0.242 nan 8.280 nan 0.000 0.522 62 C N -1.006 118.356 119.300 0.103 0.000 2.742 62 C HA 0.083 4.543 4.460 -0.000 0.000 0.284 62 C C 2.445 177.518 174.990 0.138 0.000 1.481 62 C CA 0.230 59.270 59.018 0.037 0.000 1.809 62 C CB -1.206 26.345 27.740 -0.315 0.000 1.991 62 C HN 0.343 nan 8.230 nan 0.000 0.660 63 F N 1.852 121.976 119.950 0.289 0.000 2.171 63 F HA 0.003 4.530 4.527 -0.000 0.000 0.300 63 F C 1.922 177.867 175.800 0.242 0.000 1.090 63 F CA 1.652 59.801 58.000 0.250 0.000 1.293 63 F CB -0.786 38.324 39.000 0.183 0.000 1.013 63 F HN 0.256 nan 8.300 nan 0.000 0.486 64 D N -0.425 120.185 120.400 0.351 0.000 2.319 64 D HA 0.012 4.652 4.640 -0.000 0.000 0.230 64 D C 0.699 177.159 176.300 0.267 0.000 1.094 64 D CA 0.198 54.354 54.000 0.260 0.000 0.856 64 D CB -0.248 40.651 40.800 0.164 0.000 0.915 64 D HN -0.014 nan 8.370 nan 0.000 0.517 65 S N 1.664 117.571 115.700 0.345 0.000 2.549 65 S HA 0.056 4.526 4.470 -0.000 0.000 0.286 65 S C -1.233 173.553 174.600 0.310 0.000 1.314 65 S CA -1.097 57.307 58.200 0.339 0.000 1.062 65 S CB 1.107 64.504 63.200 0.328 0.000 0.865 65 S HN -0.026 nan 8.310 nan 0.000 0.498 66 P HA -0.008 nan 4.420 nan 0.000 0.226 66 P C 0.284 177.659 177.300 0.125 0.000 1.153 66 P CA 0.238 63.420 63.100 0.136 0.000 0.777 66 P CB -0.048 31.652 31.700 -0.000 0.000 0.794 67 L N 0.793 122.144 121.223 0.213 0.000 2.385 67 L HA 0.172 4.512 4.340 -0.000 0.000 0.281 67 L C 0.146 177.358 176.870 0.571 0.000 1.106 67 L CA 0.341 55.350 54.840 0.281 0.000 0.856 67 L CB -0.372 41.794 42.059 0.179 0.000 1.186 67 L HN -0.219 nan 8.230 nan 0.000 0.453 68 K N 3.987 124.678 120.400 0.485 0.000 2.318 68 K HA 0.553 4.873 4.320 -0.000 0.000 0.249 68 K C -1.221 175.484 176.600 0.174 0.000 0.942 68 K CA -0.954 55.591 56.287 0.431 0.000 0.808 68 K CB 1.752 34.380 32.500 0.215 0.000 1.189 68 K HN 0.533 nan 8.250 nan 0.000 0.428 69 H N 1.008 119.910 119.070 -0.281 0.000 3.079 69 H HA 0.122 4.678 4.556 -0.000 0.000 0.356 69 H C -0.808 174.216 175.328 -0.506 0.000 1.221 69 H CA -0.389 55.205 56.048 -0.757 0.000 1.185 69 H CB 2.036 30.646 29.762 -1.920 0.000 1.882 69 H HN 0.648 nan 8.280 nan 0.000 0.543 70 D N 0.954 121.165 120.400 -0.314 0.000 2.348 70 D HA -0.006 4.634 4.640 -0.000 0.000 0.211 70 D C -0.061 176.247 176.300 0.014 0.000 0.998 70 D CA 0.815 54.754 54.000 -0.102 0.000 0.873 70 D CB 0.673 41.406 40.800 -0.111 0.000 0.925 70 D HN 0.345 nan 8.370 nan 0.000 0.524 71 D N -1.014 119.487 120.400 0.169 0.000 2.621 71 D HA 0.092 4.732 4.640 -0.000 0.000 0.274 71 D C 0.179 176.478 176.300 -0.001 0.000 1.215 71 D CA -0.563 53.495 54.000 0.098 0.000 0.810 71 D CB -0.404 40.461 40.800 0.108 0.000 1.248 71 D HN -0.052 nan 8.370 nan 0.000 0.517 72 W N 0.945 122.267 121.300 0.036 0.000 2.465 72 W HA -0.039 4.621 4.660 -0.000 0.000 0.268 72 W C 1.854 178.336 176.519 -0.062 0.000 1.242 72 W CA -0.149 57.143 57.345 -0.089 0.000 1.248 72 W CB 0.111 29.507 29.460 -0.107 0.000 1.118 72 W HN 0.281 nan 8.180 nan 0.000 0.587 73 N N 0.485 119.283 118.700 0.163 0.000 2.443 73 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 73 N C 1.656 177.224 175.510 0.097 0.000 1.037 73 N CA 1.387 54.485 53.050 0.081 0.000 0.896 73 N CB -0.485 38.008 38.487 0.010 0.000 0.959 73 N HN 0.136 nan 8.380 nan 0.000 0.442 74 A N 0.417 123.297 122.820 0.099 0.000 2.172 74 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 74 A C 0.768 178.431 177.584 0.133 0.000 1.154 74 A CA -0.098 51.994 52.037 0.093 0.000 0.701 74 A CB -0.578 18.464 19.000 0.070 0.000 0.789 74 A HN 0.235 nan 8.150 nan 0.000 0.465 75 F N 1.721 121.705 119.950 0.057 0.000 2.572 75 F HA 0.348 4.875 4.527 -0.000 0.000 0.370 75 F C 0.396 176.272 175.800 0.127 0.000 1.103 75 F CA -0.139 57.921 58.000 0.100 0.000 1.286 75 F CB 0.529 39.601 39.000 0.120 0.000 1.105 75 F HN 0.024 nan 8.300 nan 0.000 0.583 76 R N 4.322 124.311 120.500 -0.851 0.000 2.502 76 R HA 0.148 4.488 4.340 -0.000 0.000 0.300 76 R C -1.350 174.415 176.300 -0.892 0.000 0.984 76 R CA -1.020 54.779 56.100 -0.502 0.000 0.882 76 R CB 1.216 31.442 30.300 -0.122 0.000 1.180 76 R HN 0.632 nan 8.270 nan 0.000 0.444 77 D N 4.755 124.849 120.400 -0.511 0.000 2.472 77 D HA 0.005 4.645 4.640 -0.000 0.000 0.248 77 D C -1.076 175.046 176.300 -0.296 0.000 1.174 77 D CA -1.379 52.447 54.000 -0.290 0.000 0.883 77 D CB 1.101 41.803 40.800 -0.163 0.000 1.149 77 D HN 0.191 nan 8.370 nan 0.000 0.488 78 P HA -0.107 nan 4.420 nan 0.000 0.220 78 P C 0.253 177.502 177.300 -0.085 0.000 1.148 78 P CA 0.928 63.987 63.100 -0.068 0.000 0.803 78 P CB 0.371 32.098 31.700 0.044 0.000 0.782 79 D N -0.782 119.583 120.400 -0.059 0.000 2.347 79 D HA -0.010 4.630 4.640 -0.000 0.000 0.213 79 D C 0.543 176.728 176.300 -0.192 0.000 0.985 79 D CA 0.226 54.185 54.000 -0.068 0.000 0.879 79 D CB -0.290 40.526 40.800 0.026 0.000 0.919 79 D HN 0.118 nan 8.370 nan 0.000 0.526 80 Q N -0.436 119.104 119.800 -0.433 0.000 2.475 80 Q HA -0.197 4.143 4.340 -0.000 0.000 0.280 80 Q C -0.577 175.199 176.000 -0.373 0.000 1.234 80 Q CA 0.051 55.346 55.803 -0.846 0.000 0.873 80 Q CB -1.733 26.677 28.738 -0.546 0.000 1.256 80 Q HN 0.459 nan 8.270 nan 0.000 0.475 81 L N 0.860 121.998 121.223 -0.141 0.000 2.426 81 L HA 0.320 4.660 4.340 -0.000 0.000 0.271 81 L C 0.773 177.744 176.870 0.169 0.000 1.169 81 L CA -0.146 54.687 54.840 -0.013 0.000 0.836 81 L CB 0.598 42.635 42.059 -0.037 0.000 1.112 81 L HN 0.122 nan 8.230 nan 0.000 0.465 82 V N 0.307 120.261 119.914 0.067 0.000 3.126 82 V HA 0.250 4.369 4.120 -0.000 0.000 0.314 82 V C 0.542 176.626 176.094 -0.016 0.000 1.138 82 V CA -0.729 61.674 62.300 0.172 0.000 1.034 82 V CB 1.391 33.351 31.823 0.228 0.000 1.075 82 V HN 0.693 nan 8.190 nan 0.000 0.442 83 Y N 0.982 121.304 120.300 0.035 0.000 2.151 83 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 83 Y C 2.812 178.727 175.900 0.025 0.000 1.166 83 Y CA 2.767 60.878 58.100 0.019 0.000 1.163 83 Y CB -0.026 38.514 38.460 0.133 0.000 0.974 83 Y HN 0.804 nan 8.280 nan 0.000 0.511 84 R N -0.361 120.276 120.500 0.228 0.000 2.081 84 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 84 R C 2.118 178.413 176.300 -0.008 0.000 1.131 84 R CA 2.108 58.285 56.100 0.128 0.000 0.960 84 R CB -0.500 29.888 30.300 0.146 0.000 0.856 84 R HN 0.554 nan 8.270 nan 0.000 0.436 85 T N -2.420 112.122 114.554 -0.020 0.000 3.014 85 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 85 T C 1.754 176.379 174.700 -0.126 0.000 1.078 85 T CA 0.641 62.706 62.100 -0.060 0.000 1.135 85 T CB -0.474 68.373 68.868 -0.036 0.000 0.895 85 T HN 0.382 nan 8.240 nan 0.000 0.480 86 Y N 2.811 122.920 120.300 -0.319 0.000 2.114 86 Y HA -0.125 4.425 4.550 -0.000 0.000 0.284 86 Y C 2.073 177.799 175.900 -0.291 0.000 1.143 86 Y CA 1.853 59.722 58.100 -0.385 0.000 1.135 86 Y CB -0.638 37.417 38.460 -0.676 0.000 0.980 86 Y HN 0.251 nan 8.280 nan 0.000 0.499 87 N N -0.123 118.445 118.700 -0.219 0.000 2.188 87 N HA -0.146 4.593 4.740 -0.000 0.000 0.184 87 N C 1.787 177.174 175.510 -0.205 0.000 1.018 87 N CA 1.134 54.041 53.050 -0.238 0.000 0.858 87 N CB -0.189 38.158 38.487 -0.233 0.000 0.989 87 N HN 0.315 nan 8.380 nan 0.000 0.426 88 L N 0.824 121.952 121.223 -0.158 0.000 2.012 88 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 88 L C 2.324 179.103 176.870 -0.151 0.000 1.073 88 L CA 0.972 55.740 54.840 -0.120 0.000 0.748 88 L CB -0.387 41.623 42.059 -0.082 0.000 0.891 88 L HN 0.332 nan 8.230 nan 0.000 0.431 89 L N -0.739 120.362 121.223 -0.203 0.000 2.027 89 L HA -0.218 4.121 4.340 -0.000 0.000 0.206 89 L C 2.682 179.411 176.870 -0.234 0.000 1.074 89 L CA 1.489 56.207 54.840 -0.204 0.000 0.745 89 L CB -0.258 41.662 42.059 -0.232 0.000 0.898 89 L HN 0.406 nan 8.230 nan 0.000 0.433 90 Q N -0.638 118.939 119.800 -0.372 0.000 2.245 90 Q HA -0.199 4.141 4.340 -0.000 0.000 0.201 90 Q C 1.608 177.496 176.000 -0.186 0.000 0.955 90 Q CA 1.432 57.033 55.803 -0.336 0.000 0.870 90 Q CB -0.216 28.170 28.738 -0.586 0.000 0.945 90 Q HN 0.586 nan 8.270 nan 0.000 0.461 91 D N 0.103 120.405 120.400 -0.163 0.000 2.144 91 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 91 D C 1.884 178.140 176.300 -0.073 0.000 0.984 91 D CA 1.461 55.404 54.000 -0.095 0.000 0.834 91 D CB -0.210 40.543 40.800 -0.078 0.000 0.955 91 D HN 0.291 nan 8.370 nan 0.000 0.465 92 G N -0.234 108.518 108.800 -0.081 0.000 2.421 92 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 92 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 92 G C 1.588 176.471 174.900 -0.028 0.000 1.171 92 G CA 0.533 45.600 45.100 -0.055 0.000 0.775 92 G HN 0.209 nan 8.290 nan 0.000 0.543 93 Q N 0.262 120.039 119.800 -0.038 0.000 2.124 93 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 93 Q C 2.435 178.457 176.000 0.036 0.000 0.977 93 Q CA 0.955 56.770 55.803 0.021 0.000 0.850 93 Q CB -0.240 28.496 28.738 -0.003 0.000 0.901 93 Q HN 0.448 nan 8.270 nan 0.000 0.429 94 E N 0.090 120.280 120.200 -0.017 0.000 2.208 94 E HA -0.020 4.329 4.350 -0.000 0.000 0.193 94 E C 2.030 178.577 176.600 -0.088 0.000 0.988 94 E CA 0.386 56.757 56.400 -0.047 0.000 0.828 94 E CB 0.042 29.722 29.700 -0.033 0.000 0.763 94 E HN 0.182 nan 8.360 nan 0.000 0.478 95 S N 0.619 116.292 115.700 -0.046 0.000 2.382 95 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 95 S C 1.745 176.320 174.600 -0.041 0.000 1.027 95 S CA 0.973 59.147 58.200 -0.045 0.000 0.991 95 S CB -0.322 62.868 63.200 -0.017 0.000 0.823 95 S HN 0.370 nan 8.310 nan 0.000 0.469 96 Y N 2.447 122.665 120.300 -0.138 0.000 2.133 96 Y HA -0.120 4.430 4.550 -0.000 0.000 0.287 96 Y C 2.214 177.970 175.900 -0.241 0.000 1.134 96 Y CA 1.131 59.139 58.100 -0.154 0.000 1.133 96 Y CB -0.816 37.567 38.460 -0.128 0.000 0.987 96 Y HN 0.015 nan 8.280 nan 0.000 0.502 97 V N 1.131 120.708 119.914 -0.562 0.000 2.343 97 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 97 V C 2.355 177.844 176.094 -1.009 0.000 1.051 97 V CA 2.224 63.974 62.300 -0.916 0.000 1.036 97 V CB -0.698 30.628 31.823 -0.829 0.000 0.654 97 V HN 0.469 nan 8.190 nan 0.000 0.451 98 Q N 0.185 119.603 119.800 -0.635 0.000 2.167 98 Q HA -0.071 4.268 4.340 -0.000 0.000 0.202 98 Q C 2.395 178.223 176.000 -0.287 0.000 0.970 98 Q CA 1.588 57.106 55.803 -0.475 0.000 0.855 98 Q CB -0.743 27.840 28.738 -0.257 0.000 0.911 98 Q HN 0.674 nan 8.270 nan 0.000 0.438 99 G N 1.442 110.086 108.800 -0.260 0.000 2.421 99 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 99 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 99 G C 1.599 176.393 174.900 -0.177 0.000 1.171 99 G CA 0.452 45.453 45.100 -0.165 0.000 0.775 99 G HN 0.224 nan 8.290 nan 0.000 0.543 100 L N -0.444 120.580 121.223 -0.333 0.000 1.990 100 L HA -0.104 4.235 4.340 -0.000 0.000 0.213 100 L C 2.854 179.710 176.870 -0.024 0.000 1.072 100 L CA 1.315 56.002 54.840 -0.254 0.000 0.755 100 L CB -0.505 41.300 42.059 -0.425 0.000 0.889 100 L HN 0.253 nan 8.230 nan 0.000 0.432 101 F N -0.143 119.676 119.950 -0.218 0.000 2.126 101 F HA -0.311 4.216 4.527 -0.000 0.000 0.299 101 F C 2.492 178.260 175.800 -0.053 0.000 1.096 101 F CA 1.000 58.923 58.000 -0.128 0.000 1.255 101 F CB -0.276 38.607 39.000 -0.195 0.000 0.997 101 F HN 0.261 nan 8.300 nan 0.000 0.479 102 D N 0.096 120.573 120.400 0.128 0.000 2.097 102 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 102 D C 2.054 178.388 176.300 0.057 0.000 0.984 102 D CA 1.388 55.441 54.000 0.087 0.000 0.826 102 D CB -0.182 40.642 40.800 0.039 0.000 0.973 102 D HN 0.249 nan 8.370 nan 0.000 0.460 103 Q N -0.573 119.242 119.800 0.025 0.000 2.245 103 Q HA 0.035 4.375 4.340 -0.000 0.000 0.201 103 Q C 2.362 178.378 176.000 0.027 0.000 0.955 103 Q CA 0.414 56.227 55.803 0.018 0.000 0.870 103 Q CB 0.266 29.003 28.738 -0.001 0.000 0.945 103 Q HN 0.371 nan 8.270 nan 0.000 0.461 104 L N 0.410 121.646 121.223 0.022 0.000 2.179 104 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 104 L C 2.118 179.031 176.870 0.073 0.000 1.096 104 L CA 0.758 55.613 54.840 0.026 0.000 0.779 104 L CB -0.252 41.751 42.059 -0.094 0.000 0.922 104 L HN 0.264 nan 8.230 nan 0.000 0.443 105 N N 0.017 118.757 118.700 0.066 0.000 2.166 105 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 105 N C 1.461 177.004 175.510 0.056 0.000 1.019 105 N CA 1.355 54.445 53.050 0.068 0.000 0.856 105 N CB 0.101 38.631 38.487 0.071 0.000 0.993 105 N HN 0.142 nan 8.380 nan 0.000 0.426 106 D N 0.209 120.640 120.400 0.051 0.000 2.137 106 D HA -0.229 4.411 4.640 -0.000 0.000 0.193 106 D C 1.604 177.925 176.300 0.036 0.000 0.993 106 D CA 1.395 55.418 54.000 0.039 0.000 0.846 106 D CB -0.357 40.463 40.800 0.033 0.000 0.990 106 D HN 0.228 nan 8.370 nan 0.000 0.448 107 R N -1.225 119.298 120.500 0.039 0.000 1.439 107 R HA -0.341 3.999 4.340 -0.000 0.000 0.054 107 R C 1.235 177.571 176.300 0.061 0.000 0.951 107 R CA 3.076 59.208 56.100 0.053 0.000 1.466 107 R CB -1.466 28.873 30.300 0.066 0.000 0.473 107 R HN 0.473 nan 8.270 nan 0.000 0.556 108 G N -0.988 107.852 108.800 0.067 0.000 2.198 108 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 108 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 108 G C 0.464 175.415 174.900 0.086 0.000 1.042 108 G CA 0.941 46.076 45.100 0.059 0.000 0.791 108 G HN 0.795 nan 8.290 nan 0.000 0.502 109 H N 0.453 119.538 119.070 0.026 0.000 2.357 109 H HA -0.124 4.432 4.556 -0.000 0.000 0.296 109 H C 1.901 177.268 175.328 0.064 0.000 1.108 109 H CA 2.211 58.281 56.048 0.037 0.000 1.273 109 H CB 0.137 29.919 29.762 0.033 0.000 1.367 109 H HN 0.476 nan 8.280 nan 0.000 0.498 110 D N 0.419 120.917 120.400 0.164 0.000 2.149 110 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 110 D C 2.355 178.745 176.300 0.150 0.000 0.972 110 D CA 0.711 54.812 54.000 0.168 0.000 0.835 110 D CB -0.267 40.641 40.800 0.181 0.000 0.966 110 D HN 0.410 nan 8.370 nan 0.000 0.476 111 Q N -0.392 119.442 119.800 0.057 0.000 2.291 111 Q HA -0.006 4.334 4.340 -0.000 0.000 0.206 111 Q C 1.654 177.703 176.000 0.082 0.000 0.976 111 Q CA 0.844 56.678 55.803 0.051 0.000 0.875 111 Q CB -0.063 28.674 28.738 -0.003 0.000 0.927 111 Q HN 0.272 nan 8.270 nan 0.000 0.450 112 M N -0.459 119.151 119.600 0.017 0.000 2.502 112 M HA 0.156 4.636 4.480 -0.000 0.000 0.243 112 M C 0.089 176.379 176.300 -0.016 0.000 1.130 112 M CA 0.240 55.532 55.300 -0.014 0.000 1.055 112 M CB -0.347 32.211 32.600 -0.069 0.000 1.457 112 M HN 0.092 nan 8.290 nan 0.000 0.488 113 L N 1.427 122.660 121.223 0.017 0.000 2.439 113 L HA 0.112 4.452 4.340 -0.000 0.000 0.269 113 L C 1.170 178.100 176.870 0.101 0.000 1.179 113 L CA -0.325 54.551 54.840 0.060 0.000 0.828 113 L CB 0.162 42.338 42.059 0.194 0.000 1.106 113 L HN 0.247 nan 8.230 nan 0.000 0.467 114 T N -1.367 113.249 114.554 0.104 0.000 2.828 114 T HA 0.133 4.483 4.350 -0.000 0.000 0.290 114 T C 0.969 175.710 174.700 0.068 0.000 1.019 114 T CA -0.659 61.494 62.100 0.088 0.000 1.031 114 T CB 1.303 70.223 68.868 0.086 0.000 1.001 114 T HN 0.577 nan 8.240 nan 0.000 0.531 115 R N 0.848 121.368 120.500 0.033 0.000 2.096 115 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 115 R C 2.042 178.341 176.300 -0.003 0.000 1.127 115 R CA 1.780 57.868 56.100 -0.021 0.000 0.968 115 R CB -1.045 29.257 30.300 0.004 0.000 0.861 115 R HN 0.866 nan 8.270 nan 0.000 0.440 116 E N -0.626 119.608 120.200 0.056 0.000 2.077 116 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 116 E C 1.636 178.314 176.600 0.131 0.000 0.989 116 E CA 1.442 57.889 56.400 0.078 0.000 0.800 116 E CB -0.545 29.213 29.700 0.096 0.000 0.746 116 E HN 0.455 nan 8.360 nan 0.000 0.452 117 W N 0.839 122.134 121.300 -0.009 0.000 2.358 117 W HA -0.191 4.469 4.660 -0.000 0.000 0.303 117 W C 1.669 178.208 176.519 0.035 0.000 1.208 117 W CA 1.073 58.426 57.345 0.014 0.000 1.274 117 W CB -0.111 29.347 29.460 -0.004 0.000 1.138 117 W HN -0.069 nan 8.180 nan 0.000 0.515 118 V N 1.519 121.402 119.914 -0.051 0.000 2.324 118 V HA -0.341 3.779 4.120 -0.000 0.000 0.250 118 V C 2.156 178.181 176.094 -0.115 0.000 1.060 118 V CA 2.481 64.692 62.300 -0.148 0.000 1.042 118 V CB -0.970 30.625 31.823 -0.379 0.000 0.650 118 V HN 0.189 nan 8.190 nan 0.000 0.450 119 E N -0.458 119.669 120.200 -0.123 0.000 2.110 119 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 119 E C 2.268 178.810 176.600 -0.096 0.000 0.988 119 E CA 1.696 58.026 56.400 -0.117 0.000 0.804 119 E CB -0.259 29.396 29.700 -0.074 0.000 0.745 119 E HN 0.620 nan 8.360 nan 0.000 0.458 120 T N 1.609 116.086 114.554 -0.129 0.000 2.746 120 T HA -0.128 4.221 4.350 -0.000 0.000 0.267 120 T C 1.946 176.574 174.700 -0.119 0.000 1.039 120 T CA 0.764 62.815 62.100 -0.082 0.000 1.142 120 T CB -0.193 68.481 68.868 -0.324 0.000 0.866 120 T HN 0.099 nan 8.240 nan 0.000 0.444 121 L N 0.868 121.868 121.223 -0.372 0.000 2.013 121 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 121 L C 3.087 180.125 176.870 0.280 0.000 1.073 121 L CA 1.453 56.281 54.840 -0.021 0.000 0.753 121 L CB -0.777 41.290 42.059 0.013 0.000 0.890 121 L HN 0.264 nan 8.230 nan 0.000 0.432 122 A N -0.215 122.694 122.820 0.149 0.000 1.972 122 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 122 A C 2.433 180.020 177.584 0.005 0.000 1.169 122 A CA 1.930 53.944 52.037 -0.038 0.000 0.635 122 A CB -0.493 18.218 19.000 -0.483 0.000 0.810 122 A HN 0.382 nan 8.150 nan 0.000 0.446 123 R N -2.340 118.145 120.500 -0.025 0.000 2.075 123 R HA 0.099 4.439 4.340 -0.000 0.000 0.220 123 R C 1.207 177.492 176.300 -0.024 0.000 1.118 123 R CA 1.258 57.268 56.100 -0.151 0.000 0.986 123 R CB -0.118 29.886 30.300 -0.494 0.000 0.884 123 R HN 0.454 nan 8.270 nan 0.000 0.439 124 F N -1.846 118.261 119.950 0.262 0.000 2.717 124 F HA 0.175 4.702 4.527 -0.000 0.000 0.297 124 F C 1.419 177.564 175.800 0.575 0.000 1.113 124 F CA -0.111 58.102 58.000 0.355 0.000 1.319 124 F CB 0.147 39.155 39.000 0.014 0.000 1.097 124 F HN 0.040 nan 8.300 nan 0.000 0.595 125 Y N 0.523 121.087 120.300 0.440 0.000 2.439 125 Y HA -0.062 4.488 4.550 -0.000 0.000 0.281 125 Y C 2.704 178.749 175.900 0.243 0.000 1.145 125 Y CA 1.283 59.584 58.100 0.336 0.000 1.252 125 Y CB -0.506 38.087 38.460 0.221 0.000 1.271 125 Y HN -0.019 nan 8.280 nan 0.000 0.516 126 T N -1.389 113.157 114.554 -0.013 0.000 2.833 126 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 126 T C -0.766 173.801 174.700 -0.221 0.000 1.054 126 T CA 0.878 62.864 62.100 -0.190 0.000 1.135 126 T CB -1.704 67.243 68.868 0.132 0.000 0.869 126 T HN 0.242 nan 8.240 nan 0.000 0.466 127 P HA 0.215 nan 4.420 nan 0.000 0.228 127 P C 1.430 178.321 177.300 -0.681 0.000 1.151 127 P CA 0.876 63.747 63.100 -0.382 0.000 0.770 127 P CB -0.417 30.915 31.700 -0.614 0.000 0.786 128 A N 0.931 123.389 122.820 -0.602 0.000 2.178 128 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 128 A C 2.257 179.305 177.584 -0.893 0.000 1.157 128 A CA 1.173 52.721 52.037 -0.815 0.000 0.689 128 A CB -1.115 17.402 19.000 -0.805 0.000 0.787 128 A HN 0.271 nan 8.150 nan 0.000 0.465 129 R N -1.711 118.413 120.500 -0.627 0.000 2.127 129 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 129 R C 1.591 177.488 176.300 -0.672 0.000 1.134 129 R CA 1.939 57.726 56.100 -0.521 0.000 0.975 129 R CB -0.754 29.249 30.300 -0.494 0.000 0.865 129 R HN 0.474 nan 8.270 nan 0.000 0.447 130 Y N 0.811 120.667 120.300 -0.741 0.000 2.163 130 Y HA -0.121 4.429 4.550 -0.000 0.000 0.288 130 Y C 2.260 177.589 175.900 -0.952 0.000 1.136 130 Y CA 1.086 58.597 58.100 -0.982 0.000 1.147 130 Y CB -0.459 36.912 38.460 -1.814 0.000 0.987 130 Y HN 0.056 nan 8.280 nan 0.000 0.509 131 L N -0.623 119.996 121.223 -1.006 0.000 2.046 131 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 131 L C 1.960 178.723 176.870 -0.179 0.000 1.077 131 L CA 1.704 56.184 54.840 -0.599 0.000 0.747 131 L CB -1.017 40.772 42.059 -0.450 0.000 0.896 131 L HN 0.233 nan 8.230 nan 0.000 0.432 132 F N -1.585 118.271 119.950 -0.158 0.000 2.186 132 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 132 F C 2.545 178.291 175.800 -0.090 0.000 1.090 132 F CA 0.851 58.830 58.000 -0.034 0.000 1.307 132 F CB -0.332 38.751 39.000 0.138 0.000 1.019 132 F HN 0.289 nan 8.300 nan 0.000 0.489 133 H N 0.512 119.569 119.070 -0.022 0.000 2.389 133 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 133 H C 2.087 177.380 175.328 -0.057 0.000 1.081 133 H CA 1.232 57.241 56.048 -0.064 0.000 1.345 133 H CB -0.144 29.535 29.762 -0.138 0.000 1.393 133 H HN 0.136 nan 8.280 nan 0.000 0.520 134 A N 0.380 123.137 122.820 -0.105 0.000 1.972 134 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 134 A C 2.444 179.945 177.584 -0.139 0.000 1.169 134 A CA 1.371 53.356 52.037 -0.088 0.000 0.635 134 A CB -0.730 18.296 19.000 0.043 0.000 0.810 134 A HN 0.476 nan 8.150 nan 0.000 0.446 135 L N -1.053 120.060 121.223 -0.184 0.000 2.093 135 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 135 L C 2.859 179.520 176.870 -0.348 0.000 1.085 135 L CA 1.651 56.266 54.840 -0.375 0.000 0.755 135 L CB -0.559 41.074 42.059 -0.710 0.000 0.904 135 L HN 0.593 nan 8.230 nan 0.000 0.435 136 Q N 0.328 119.980 119.800 -0.247 0.000 2.077 136 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 136 Q C 2.326 178.245 176.000 -0.135 0.000 0.989 136 Q CA 1.962 57.708 55.803 -0.095 0.000 0.853 136 Q CB -0.066 28.576 28.738 -0.160 0.000 0.907 136 Q HN 0.462 nan 8.270 nan 0.000 0.418 137 M N -0.541 118.908 119.600 -0.253 0.000 2.117 137 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 137 M C 2.178 178.469 176.300 -0.017 0.000 1.065 137 M CA 1.481 56.692 55.300 -0.148 0.000 1.114 137 M CB -0.481 32.016 32.600 -0.171 0.000 1.361 137 M HN 0.412 nan 8.290 nan 0.000 0.408 138 G N 0.296 109.075 108.800 -0.035 0.000 2.459 138 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 138 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 138 G C 1.632 176.588 174.900 0.093 0.000 1.183 138 G CA 1.430 46.540 45.100 0.017 0.000 0.776 138 G HN 0.567 nan 8.290 nan 0.000 0.552 139 S N -0.394 115.361 115.700 0.091 0.000 2.428 139 S HA 0.039 4.509 4.470 -0.000 0.000 0.230 139 S C 2.152 176.810 174.600 0.096 0.000 1.014 139 S CA 1.132 59.411 58.200 0.132 0.000 0.957 139 S CB 0.033 63.333 63.200 0.167 0.000 0.784 139 S HN 0.127 nan 8.310 nan 0.000 0.499 140 V N 0.466 120.415 119.914 0.058 0.000 2.951 140 V HA 0.062 4.182 4.120 -0.000 0.000 0.255 140 V C 1.873 178.002 176.094 0.058 0.000 1.088 140 V CA 1.011 63.316 62.300 0.007 0.000 1.109 140 V CB -0.635 31.145 31.823 -0.071 0.000 0.724 140 V HN 0.678 nan 8.190 nan 0.000 0.471 141 Y N 0.477 120.794 120.300 0.029 0.000 2.200 141 Y HA -0.181 4.369 4.550 -0.000 0.000 0.290 141 Y C 2.134 178.099 175.900 0.108 0.000 1.137 141 Y CA 2.110 60.253 58.100 0.071 0.000 1.163 141 Y CB -0.041 38.493 38.460 0.123 0.000 0.988 141 Y HN 0.258 nan 8.280 nan 0.000 0.518 142 I N -0.211 120.350 120.570 -0.015 0.000 2.151 142 I HA -0.415 3.755 4.170 -0.000 0.000 0.243 142 I C 2.450 178.521 176.117 -0.078 0.000 1.080 142 I CA 2.012 63.296 61.300 -0.027 0.000 1.339 142 I CB -0.798 37.309 38.000 0.179 0.000 1.039 142 I HN 0.382 nan 8.210 nan 0.000 0.409 143 H N 1.563 120.554 119.070 -0.131 0.000 2.267 143 H HA -0.313 4.243 4.556 -0.000 0.000 0.291 143 H C 2.297 177.524 175.328 -0.169 0.000 1.094 143 H CA 2.553 58.513 56.048 -0.148 0.000 1.227 143 H CB -0.084 29.597 29.762 -0.135 0.000 1.351 143 H HN 0.508 nan 8.280 nan 0.000 0.483 144 Q N -0.701 119.138 119.800 0.063 0.000 2.432 144 Q HA -0.007 4.333 4.340 -0.000 0.000 0.205 144 Q C 1.432 177.309 176.000 -0.204 0.000 0.945 144 Q CA 1.038 56.856 55.803 0.025 0.000 0.924 144 Q CB 0.278 29.002 28.738 -0.023 0.000 1.016 144 Q HN 0.563 nan 8.270 nan 0.000 0.503 145 I N 0.534 120.877 120.570 -0.377 0.000 4.139 145 I HA 0.318 4.488 4.170 -0.000 0.000 0.335 145 I C 0.278 176.218 176.117 -0.295 0.000 1.327 145 I CA -0.634 60.419 61.300 -0.410 0.000 1.112 145 I CB 0.649 38.364 38.000 -0.475 0.000 1.058 145 I HN 0.200 nan 8.210 nan 0.000 0.396 146 A N 2.225 124.862 122.820 -0.306 0.000 2.483 146 A HA 0.315 4.635 4.320 -0.000 0.000 0.238 146 A C -1.611 175.658 177.584 -0.525 0.000 1.070 146 A CA -0.453 51.230 52.037 -0.590 0.000 0.770 146 A CB -0.535 18.183 19.000 -0.471 0.000 1.008 146 A HN 0.258 nan 8.150 nan 0.000 0.497 147 P HA 0.251 nan 4.420 nan 0.000 0.257 147 P C -0.128 177.018 177.300 -0.256 0.000 1.281 147 P CA 1.073 63.862 63.100 -0.518 0.000 0.826 147 P CB 0.143 31.445 31.700 -0.662 0.000 1.237 148 A N -0.171 122.502 122.820 -0.245 0.000 2.520 148 A HA 0.470 4.790 4.320 -0.000 0.000 0.298 148 A C 1.182 178.531 177.584 -0.392 0.000 1.051 148 A CA -0.099 51.808 52.037 -0.216 0.000 0.690 148 A CB 0.875 19.810 19.000 -0.107 0.000 1.281 148 A HN -0.048 nan 8.150 nan 0.000 0.402 149 S N 0.796 116.087 115.700 -0.681 0.000 2.400 149 S HA -0.196 4.273 4.470 -0.000 0.000 0.232 149 S C 1.597 175.979 174.600 -0.363 0.000 1.025 149 S CA 2.325 60.073 58.200 -0.753 0.000 0.993 149 S CB -0.964 61.820 63.200 -0.695 0.000 0.808 149 S HN 1.438 nan 8.310 nan 0.000 0.478 150 T N 0.404 114.847 114.554 -0.185 0.000 2.951 150 T HA 0.209 4.559 4.350 -0.000 0.000 0.268 150 T C 1.781 176.541 174.700 0.099 0.000 1.073 150 T CA 0.777 62.884 62.100 0.011 0.000 1.134 150 T CB -0.639 68.324 68.868 0.158 0.000 0.884 150 T HN 0.451 nan 8.240 nan 0.000 0.479 151 I N 1.489 122.018 120.570 -0.069 0.000 2.193 151 I HA -0.113 4.057 4.170 -0.000 0.000 0.240 151 I C 2.928 178.773 176.117 -0.452 0.000 1.084 151 I CA 1.178 62.252 61.300 -0.377 0.000 1.365 151 I CB -0.868 36.794 38.000 -0.563 0.000 1.064 151 I HN 0.200 nan 8.210 nan 0.000 0.410 152 T N 0.835 115.159 114.554 -0.382 0.000 2.685 152 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 152 T C 1.594 175.983 174.700 -0.519 0.000 1.034 152 T CA 2.089 63.921 62.100 -0.447 0.000 1.149 152 T CB -0.637 67.990 68.868 -0.402 0.000 0.860 152 T HN 0.427 nan 8.240 nan 0.000 0.449 153 N N -0.132 118.298 118.700 -0.450 0.000 2.188 153 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 153 N C 2.093 177.223 175.510 -0.633 0.000 1.018 153 N CA 1.156 53.889 53.050 -0.528 0.000 0.858 153 N CB -0.265 38.056 38.487 -0.278 0.000 0.989 153 N HN 0.363 nan 8.380 nan 0.000 0.426 154 C N 0.951 119.906 119.300 -0.576 0.000 2.413 154 C HA -0.116 4.344 4.460 -0.000 0.000 0.276 154 C C 3.004 177.554 174.990 -0.733 0.000 1.248 154 C CA 0.844 59.333 59.018 -0.882 0.000 1.742 154 C CB -1.210 25.360 27.740 -1.949 0.000 2.017 154 C HN 0.499 nan 8.230 nan 0.000 0.481 155 A N 0.062 122.520 122.820 -0.603 0.000 1.930 155 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 155 A C 2.156 179.634 177.584 -0.175 0.000 1.175 155 A CA 2.363 54.289 52.037 -0.186 0.000 0.627 155 A CB -1.007 17.957 19.000 -0.060 0.000 0.815 155 A HN 0.586 nan 8.150 nan 0.000 0.443 156 T N -0.699 113.685 114.554 -0.283 0.000 2.652 156 T HA -0.211 4.138 4.350 -0.000 0.000 0.267 156 T C 1.700 176.168 174.700 -0.387 0.000 1.039 156 T CA 1.993 63.915 62.100 -0.297 0.000 1.153 156 T CB -0.582 67.980 68.868 -0.511 0.000 0.863 156 T HN 0.663 nan 8.240 nan 0.000 0.428 157 Y N 1.059 121.215 120.300 -0.240 0.000 2.373 157 Y HA 0.000 4.550 4.550 -0.000 0.000 0.293 157 Y C 2.708 178.489 175.900 -0.200 0.000 1.129 157 Y CA 0.681 58.559 58.100 -0.371 0.000 1.226 157 Y CB -0.096 38.211 38.460 -0.256 0.000 1.000 157 Y HN 0.325 nan 8.280 nan 0.000 0.549 158 E N 0.303 120.431 120.200 -0.120 0.000 2.107 158 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 158 E C 1.725 177.979 176.600 -0.577 0.000 0.982 158 E CA 1.575 57.706 56.400 -0.449 0.000 0.809 158 E CB -0.013 29.396 29.700 -0.485 0.000 0.756 158 E HN 0.308 nan 8.360 nan 0.000 0.459 159 T N 0.833 115.205 114.554 -0.303 0.000 2.684 159 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 159 T C 1.897 176.490 174.700 -0.179 0.000 1.036 159 T CA 1.444 63.431 62.100 -0.189 0.000 1.148 159 T CB -0.372 68.432 68.868 -0.107 0.000 0.863 159 T HN 0.359 nan 8.240 nan 0.000 0.436 160 A N 2.124 124.852 122.820 -0.152 0.000 1.908 160 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 160 A C 2.109 179.662 177.584 -0.051 0.000 1.181 160 A CA 1.906 53.901 52.037 -0.070 0.000 0.627 160 A CB -0.737 18.201 19.000 -0.104 0.000 0.818 160 A HN 0.376 nan 8.150 nan 0.000 0.445 161 D N -0.781 119.564 120.400 -0.091 0.000 2.123 161 D HA -0.145 4.494 4.640 -0.000 0.000 0.196 161 D C 1.712 177.598 176.300 -0.690 0.000 0.992 161 D CA 1.416 55.271 54.000 -0.241 0.000 0.833 161 D CB -0.521 40.211 40.800 -0.113 0.000 0.954 161 D HN 0.569 nan 8.370 nan 0.000 0.455 162 H N -0.064 118.623 119.070 -0.639 0.000 2.423 162 H HA -0.029 4.527 4.556 -0.000 0.000 0.297 162 H C 2.139 177.268 175.328 -0.333 0.000 1.075 162 H CA 0.348 55.953 56.048 -0.739 0.000 1.342 162 H CB -0.386 29.113 29.762 -0.438 0.000 1.395 162 H HN 0.117 nan 8.280 nan 0.000 0.530 163 L N 1.258 122.430 121.223 -0.086 0.000 2.093 163 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 163 L C 2.571 179.426 176.870 -0.024 0.000 1.085 163 L CA 1.462 56.301 54.840 -0.001 0.000 0.755 163 L CB -0.539 41.525 42.059 0.008 0.000 0.904 163 L HN 0.016 nan 8.230 nan 0.000 0.435 164 R N -1.337 119.108 120.500 -0.093 0.000 2.081 164 R HA -0.214 4.126 4.340 -0.000 0.000 0.235 164 R C 2.093 178.275 176.300 -0.196 0.000 1.131 164 R CA 2.057 58.066 56.100 -0.152 0.000 0.960 164 R CB -0.433 29.810 30.300 -0.095 0.000 0.856 164 R HN 0.466 nan 8.270 nan 0.000 0.436 165 W N 0.822 121.981 121.300 -0.235 0.000 2.381 165 W HA -0.127 4.533 4.660 -0.000 0.000 0.301 165 W C 2.010 178.559 176.519 0.050 0.000 1.205 165 W CA 0.122 57.336 57.345 -0.219 0.000 1.285 165 W CB -1.306 27.792 29.460 -0.603 0.000 1.133 165 W HN 0.187 nan 8.180 nan 0.000 0.521 166 L N 0.907 122.334 121.223 0.341 0.000 2.043 166 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 166 L C 2.077 179.063 176.870 0.192 0.000 1.075 166 L CA 2.687 57.706 54.840 0.299 0.000 0.752 166 L CB -1.309 40.862 42.059 0.187 0.000 0.891 166 L HN -0.133 nan 8.230 nan 0.000 0.432 167 T N -1.188 113.439 114.554 0.121 0.000 2.777 167 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 167 T C 1.753 176.615 174.700 0.270 0.000 1.040 167 T CA 1.444 63.620 62.100 0.126 0.000 1.141 167 T CB -0.481 68.422 68.868 0.058 0.000 0.868 167 T HN 0.476 nan 8.240 nan 0.000 0.444 168 H N 1.360 120.615 119.070 0.308 0.000 2.319 168 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 168 H C 2.618 178.168 175.328 0.370 0.000 1.092 168 H CA 1.713 58.009 56.048 0.413 0.000 1.302 168 H CB -1.036 28.986 29.762 0.433 0.000 1.373 168 H HN 0.324 nan 8.280 nan 0.000 0.497 169 T N 0.991 115.814 114.554 0.448 0.000 2.746 169 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 169 T C 2.353 177.124 174.700 0.118 0.000 1.039 169 T CA 1.296 63.539 62.100 0.238 0.000 1.142 169 T CB -0.476 68.465 68.868 0.121 0.000 0.866 169 T HN 0.463 nan 8.240 nan 0.000 0.444 170 A N 0.677 123.567 122.820 0.117 0.000 1.883 170 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 170 A C 2.103 179.737 177.584 0.084 0.000 1.186 170 A CA 1.781 53.852 52.037 0.056 0.000 0.624 170 A CB -1.136 17.893 19.000 0.048 0.000 0.822 170 A HN 0.602 nan 8.150 nan 0.000 0.444 171 Y N 0.249 120.580 120.300 0.051 0.000 2.114 171 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 171 Y C 2.590 178.428 175.900 -0.104 0.000 1.143 171 Y CA 2.089 60.190 58.100 0.003 0.000 1.135 171 Y CB -0.092 38.419 38.460 0.085 0.000 0.980 171 Y HN 0.152 nan 8.280 nan 0.000 0.499 172 R N -0.407 120.142 120.500 0.082 0.000 2.120 172 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 172 R C 2.109 178.353 176.300 -0.092 0.000 1.123 172 R CA 1.607 57.675 56.100 -0.053 0.000 0.975 172 R CB -1.265 29.090 30.300 0.092 0.000 0.866 172 R HN 0.378 nan 8.270 nan 0.000 0.446 173 T N 1.157 115.685 114.554 -0.042 0.000 2.708 173 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 173 T C 1.924 176.543 174.700 -0.134 0.000 1.037 173 T CA 0.955 63.006 62.100 -0.082 0.000 1.146 173 T CB -0.048 68.811 68.868 -0.014 0.000 0.865 173 T HN 0.170 nan 8.240 nan 0.000 0.435 174 R N 1.054 121.463 120.500 -0.151 0.000 2.083 174 R HA -0.057 4.283 4.340 -0.000 0.000 0.237 174 R C 2.438 178.604 176.300 -0.223 0.000 1.137 174 R CA 1.298 57.293 56.100 -0.176 0.000 0.951 174 R CB -0.401 29.757 30.300 -0.237 0.000 0.851 174 R HN 0.591 nan 8.270 nan 0.000 0.434 175 E N 0.497 120.510 120.200 -0.312 0.000 2.077 175 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 175 E C 2.210 178.686 176.600 -0.206 0.000 0.989 175 E CA 0.950 57.190 56.400 -0.268 0.000 0.800 175 E CB -0.139 29.390 29.700 -0.285 0.000 0.746 175 E HN 0.271 nan 8.360 nan 0.000 0.452 176 L N 0.598 121.652 121.223 -0.281 0.000 2.017 176 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 176 L C 2.635 179.377 176.870 -0.214 0.000 1.073 176 L CA 1.170 55.760 54.840 -0.417 0.000 0.745 176 L CB -0.514 40.870 42.059 -1.126 0.000 0.894 176 L HN 0.117 nan 8.230 nan 0.000 0.432 177 A N 0.031 122.790 122.820 -0.102 0.000 1.972 177 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 177 A C 2.050 179.669 177.584 0.058 0.000 1.169 177 A CA 1.912 54.039 52.037 0.149 0.000 0.635 177 A CB -0.539 18.535 19.000 0.123 0.000 0.810 177 A HN 0.443 nan 8.150 nan 0.000 0.446 178 N N -0.605 118.070 118.700 -0.043 0.000 2.142 178 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 178 N C 1.726 177.172 175.510 -0.107 0.000 1.023 178 N CA 1.408 54.418 53.050 -0.067 0.000 0.852 178 N CB -0.925 37.504 38.487 -0.097 0.000 0.998 178 N HN 0.541 nan 8.380 nan 0.000 0.424 179 C N -0.275 118.918 119.300 -0.177 0.000 2.457 179 C HA 0.006 4.466 4.460 -0.000 0.000 0.278 179 C C 0.322 174.947 174.990 -0.609 0.000 1.309 179 C CA 0.341 59.101 59.018 -0.429 0.000 1.735 179 C CB -0.928 26.494 27.740 -0.531 0.000 1.992 179 C HN 0.380 nan 8.230 nan 0.000 0.493 180 Y N -0.094 120.270 120.300 0.106 0.000 2.535 180 Y HA 0.305 4.855 4.550 -0.000 0.000 0.351 180 Y C -1.942 174.069 175.900 0.185 0.000 1.050 180 Y CA -1.465 56.736 58.100 0.168 0.000 1.168 180 Y CB 0.375 39.007 38.460 0.288 0.000 1.116 180 Y HN 0.191 nan 8.280 nan 0.000 0.654 181 P HA -0.133 nan 4.420 nan 0.000 0.226 181 P C 0.943 178.312 177.300 0.114 0.000 1.153 181 P CA 1.395 64.575 63.100 0.134 0.000 0.777 181 P CB 0.299 32.038 31.700 0.065 0.000 0.794 182 D N -1.261 119.211 120.400 0.120 0.000 2.349 182 D HA -0.033 4.607 4.640 -0.000 0.000 0.215 182 D C 1.448 177.762 176.300 0.023 0.000 1.016 182 D CA 0.357 54.396 54.000 0.066 0.000 0.870 182 D CB -0.761 40.076 40.800 0.063 0.000 0.917 182 D HN 0.038 nan 8.370 nan 0.000 0.524 183 V N 0.433 120.362 119.914 0.025 0.000 2.951 183 V HA 0.163 4.283 4.120 -0.000 0.000 0.255 183 V C 2.017 177.962 176.094 -0.248 0.000 1.088 183 V CA 1.129 63.327 62.300 -0.169 0.000 1.109 183 V CB -0.585 31.027 31.823 -0.351 0.000 0.724 183 V HN 0.537 nan 8.190 nan 0.000 0.471 184 G N -0.218 108.515 108.800 -0.113 0.000 2.141 184 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 184 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 184 G C -0.018 174.846 174.900 -0.059 0.000 0.982 184 G CA -0.200 44.853 45.100 -0.079 0.000 0.662 184 G HN 0.345 nan 8.290 nan 0.000 0.527 185 F N 0.646 120.612 119.950 0.025 0.000 2.623 185 F HA 0.323 4.850 4.527 -0.000 0.000 0.386 185 F C 1.933 177.736 175.800 0.006 0.000 1.068 185 F CA 2.416 60.429 58.000 0.022 0.000 1.265 185 F CB 0.487 39.515 39.000 0.046 0.000 1.026 185 F HN 0.920 nan 8.300 nan 0.000 0.568 186 G N 2.414 111.332 108.800 0.196 0.000 2.336 186 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.233 186 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.233 186 G C 1.328 176.263 174.900 0.058 0.000 1.053 186 G CA 0.432 45.587 45.100 0.092 0.000 0.625 186 G HN 0.592 nan 8.290 nan 0.000 0.511 187 K N -0.477 119.953 120.400 0.050 0.000 2.276 187 K HA 0.273 4.593 4.320 -0.000 0.000 0.198 187 K C 2.347 178.954 176.600 0.012 0.000 1.052 187 K CA 0.571 56.873 56.287 0.025 0.000 0.984 187 K CB 0.189 32.697 32.500 0.013 0.000 0.836 187 K HN 0.192 nan 8.250 nan 0.000 0.490 188 R N 0.724 121.221 120.500 -0.005 0.000 2.312 188 R HA 0.048 4.388 4.340 -0.000 0.000 0.205 188 R C 1.270 177.556 176.300 -0.023 0.000 0.904 188 R CA 0.448 56.530 56.100 -0.030 0.000 1.052 188 R CB 0.325 30.582 30.300 -0.072 0.000 1.014 188 R HN 0.057 nan 8.270 nan 0.000 0.503 189 E N 0.054 120.268 120.200 0.023 0.000 2.150 189 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 189 E C 1.665 178.245 176.600 -0.034 0.000 0.985 189 E CA 0.937 57.356 56.400 0.031 0.000 0.814 189 E CB -0.007 29.765 29.700 0.120 0.000 0.752 189 E HN 0.146 nan 8.360 nan 0.000 0.466 190 R N 0.670 121.141 120.500 -0.048 0.000 2.081 190 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 190 R C 1.163 177.343 176.300 -0.201 0.000 1.131 190 R CA 1.695 57.587 56.100 -0.347 0.000 0.960 190 R CB -0.017 30.163 30.300 -0.200 0.000 0.856 190 R HN 0.114 nan 8.270 nan 0.000 0.436 191 D N -0.245 120.089 120.400 -0.110 0.000 2.144 191 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 191 D C 1.937 178.190 176.300 -0.078 0.000 0.978 191 D CA 1.014 54.962 54.000 -0.086 0.000 0.833 191 D CB -0.010 40.753 40.800 -0.062 0.000 0.961 191 D HN 0.096 nan 8.370 nan 0.000 0.470 192 V N 1.006 120.877 119.914 -0.072 0.000 2.237 192 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 192 V C 2.275 178.333 176.094 -0.059 0.000 1.046 192 V CA 1.550 63.824 62.300 -0.043 0.000 1.007 192 V CB -0.711 31.087 31.823 -0.043 0.000 0.638 192 V HN 0.413 nan 8.190 nan 0.000 0.445 193 W N 1.275 122.313 121.300 -0.437 0.000 2.321 193 W HA -0.227 4.433 4.660 -0.000 0.000 0.306 193 W C 2.187 178.569 176.519 -0.229 0.000 1.217 193 W CA 2.183 59.222 57.345 -0.509 0.000 1.257 193 W CB -0.035 29.024 29.460 -0.669 0.000 1.145 193 W HN 0.377 nan 8.180 nan 0.000 0.509 194 E N -0.590 119.452 120.200 -0.263 0.000 2.216 194 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 194 E C 1.479 177.962 176.600 -0.195 0.000 0.988 194 E CA 0.885 57.104 56.400 -0.301 0.000 0.834 194 E CB -0.074 29.513 29.700 -0.188 0.000 0.772 194 E HN 0.351 nan 8.360 nan 0.000 0.479 195 N N 0.116 118.748 118.700 -0.113 0.000 2.193 195 N HA -0.029 4.711 4.740 -0.000 0.000 0.210 195 N C -0.249 175.248 175.510 -0.022 0.000 1.215 195 N CA 0.042 53.053 53.050 -0.066 0.000 0.901 195 N CB 0.836 39.289 38.487 -0.057 0.000 1.060 195 N HN 0.016 nan 8.380 nan 0.000 0.508 196 D N 2.416 122.837 120.400 0.034 0.000 2.312 196 D HA 0.152 4.792 4.640 -0.000 0.000 0.252 196 D C -1.610 174.737 176.300 0.078 0.000 1.150 196 D CA -1.819 52.224 54.000 0.072 0.000 0.870 196 D CB 2.274 43.177 40.800 0.172 0.000 1.153 196 D HN -0.085 nan 8.370 nan 0.000 0.457 197 P HA -0.142 nan 4.420 nan 0.000 0.217 197 P C 0.931 178.247 177.300 0.027 0.000 1.148 197 P CA 1.302 64.410 63.100 0.013 0.000 0.828 197 P CB 0.123 31.820 31.700 -0.005 0.000 0.783 198 A N -2.107 120.714 122.820 0.002 0.000 2.019 198 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 198 A C 1.705 179.274 177.584 -0.025 0.000 1.164 198 A CA 1.150 53.147 52.037 -0.066 0.000 0.644 198 A CB -1.585 17.263 19.000 -0.252 0.000 0.805 198 A HN 0.284 nan 8.150 nan 0.000 0.449 199 W N -1.232 120.160 121.300 0.153 0.000 3.220 199 W HA 0.171 4.831 4.660 -0.000 0.000 0.328 199 W C 1.928 178.448 176.519 0.002 0.000 1.205 199 W CA -0.042 57.430 57.345 0.213 0.000 1.773 199 W CB 0.467 30.033 29.460 0.177 0.000 1.086 199 W HN 0.195 nan 8.180 nan 0.000 0.622 200 Q N -0.001 119.874 119.800 0.125 0.000 2.167 200 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 200 Q C 2.304 178.289 176.000 -0.024 0.000 0.970 200 Q CA 1.596 57.389 55.803 -0.017 0.000 0.855 200 Q CB -1.160 27.555 28.738 -0.039 0.000 0.911 200 Q HN 0.380 nan 8.270 nan 0.000 0.438 201 G N -0.177 108.608 108.800 -0.025 0.000 2.480 201 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 201 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 201 G C 1.304 176.153 174.900 -0.085 0.000 1.200 201 G CA 0.607 45.643 45.100 -0.107 0.000 0.782 201 G HN 0.332 nan 8.290 nan 0.000 0.554 202 F N 0.609 120.634 119.950 0.125 0.000 2.126 202 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 202 F C 2.892 178.784 175.800 0.154 0.000 1.096 202 F CA 1.635 59.758 58.000 0.205 0.000 1.255 202 F CB -0.069 39.171 39.000 0.400 0.000 0.997 202 F HN 0.017 nan 8.300 nan 0.000 0.479 203 R N 0.592 121.145 120.500 0.088 0.000 2.075 203 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 203 R C 2.222 178.497 176.300 -0.042 0.000 1.126 203 R CA 1.746 57.693 56.100 -0.256 0.000 0.963 203 R CB -0.359 29.437 30.300 -0.839 0.000 0.858 203 R HN 0.357 nan 8.270 nan 0.000 0.435 204 E N 0.325 120.504 120.200 -0.034 0.000 2.058 204 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 204 E C 2.000 178.651 176.600 0.084 0.000 0.997 204 E CA 1.377 57.779 56.400 0.004 0.000 0.801 204 E CB -0.144 29.546 29.700 -0.017 0.000 0.746 204 E HN 0.235 nan 8.360 nan 0.000 0.450 205 L N 0.872 122.168 121.223 0.122 0.000 1.971 205 L HA -0.193 4.146 4.340 -0.000 0.000 0.215 205 L C 2.328 179.314 176.870 0.194 0.000 1.072 205 L CA 1.772 56.732 54.840 0.200 0.000 0.758 205 L CB -0.780 41.394 42.059 0.192 0.000 0.889 205 L HN 0.336 nan 8.230 nan 0.000 0.433 206 I N -0.265 120.431 120.570 0.210 0.000 2.315 206 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 206 I C 2.384 178.560 176.117 0.099 0.000 1.117 206 I CA 1.388 62.783 61.300 0.159 0.000 1.404 206 I CB -0.474 37.685 38.000 0.265 0.000 1.071 206 I HN 0.429 nan 8.210 nan 0.000 0.419 207 E N 0.131 120.401 120.200 0.116 0.000 2.085 207 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 207 E C 2.156 178.769 176.600 0.021 0.000 0.994 207 E CA 1.381 57.819 56.400 0.063 0.000 0.801 207 E CB -0.133 29.596 29.700 0.048 0.000 0.743 207 E HN 0.494 nan 8.360 nan 0.000 0.453 208 K N 0.455 120.903 120.400 0.081 0.000 2.025 208 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 208 K C 2.239 178.912 176.600 0.123 0.000 1.049 208 K CA 0.999 57.374 56.287 0.146 0.000 0.933 208 K CB -0.141 32.523 32.500 0.274 0.000 0.714 208 K HN 0.039 nan 8.250 nan 0.000 0.438 209 A N 1.532 124.322 122.820 -0.050 0.000 1.978 209 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 209 A C 2.027 179.357 177.584 -0.424 0.000 1.170 209 A CA 1.266 52.969 52.037 -0.556 0.000 0.636 209 A CB -0.665 17.969 19.000 -0.611 0.000 0.810 209 A HN 0.191 nan 8.150 nan 0.000 0.448 210 L N -0.335 120.717 121.223 -0.284 0.000 2.456 210 L HA -0.049 4.291 4.340 -0.000 0.000 0.224 210 L C 1.809 178.283 176.870 -0.661 0.000 1.148 210 L CA 0.937 55.583 54.840 -0.323 0.000 0.825 210 L CB -0.347 41.626 42.059 -0.144 0.000 0.937 210 L HN 0.704 nan 8.230 nan 0.000 0.450 211 I N -3.770 116.348 120.570 -0.752 0.000 3.914 211 I HA 0.338 4.508 4.170 -0.000 0.000 0.333 211 I C 0.770 176.000 176.117 -1.479 0.000 1.449 211 I CA -0.455 60.007 61.300 -1.397 0.000 1.135 211 I CB 0.106 37.701 38.000 -0.674 0.000 1.073 211 I HN -0.061 nan 8.210 nan 0.000 0.401 212 A N 0.804 123.058 122.820 -0.944 0.000 2.527 212 A HA 0.334 4.654 4.320 -0.000 0.000 0.313 212 A C 0.078 177.320 177.584 -0.571 0.000 1.410 212 A CA -0.546 51.117 52.037 -0.622 0.000 1.060 212 A CB -0.618 18.128 19.000 -0.424 0.000 1.137 212 A HN 0.688 nan 8.150 nan 0.000 0.542 213 W N 0.932 121.975 121.300 -0.429 0.000 2.863 213 W HA 0.046 4.706 4.660 -0.000 0.000 0.258 213 W C 0.823 177.177 176.519 -0.276 0.000 1.298 213 W CA -0.356 56.641 57.345 -0.579 0.000 1.451 213 W CB 0.278 28.828 29.460 -1.517 0.000 1.107 213 W HN 0.602 nan 8.180 nan 0.000 0.641 214 D N 2.042 122.440 120.400 -0.004 0.000 2.458 214 D HA -0.121 4.519 4.640 -0.000 0.000 0.243 214 D C 1.341 177.676 176.300 0.059 0.000 1.146 214 D CA 0.159 54.249 54.000 0.150 0.000 0.877 214 D CB 0.617 41.463 40.800 0.076 0.000 1.176 214 D HN 0.260 nan 8.370 nan 0.000 0.461 215 W N 4.276 125.603 121.300 0.044 0.000 2.338 215 W HA -0.096 4.564 4.660 -0.000 0.000 0.304 215 W C 1.154 177.629 176.519 -0.073 0.000 1.212 215 W CA 1.061 58.380 57.345 -0.043 0.000 1.264 215 W CB -1.176 28.211 29.460 -0.121 0.000 1.142 215 W HN 0.450 nan 8.180 nan 0.000 0.512 216 G N 0.906 109.044 108.800 -1.103 0.000 2.403 216 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 216 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 216 G C 1.556 175.881 174.900 -0.957 0.000 1.154 216 G CA 1.004 45.453 45.100 -1.085 0.000 0.784 216 G HN 0.469 nan 8.290 nan 0.000 0.538 217 E N 0.328 119.659 120.200 -1.449 0.000 2.110 217 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 217 E C 2.783 178.933 176.600 -0.749 0.000 0.988 217 E CA 0.867 56.352 56.400 -1.526 0.000 0.804 217 E CB -0.160 28.775 29.700 -1.275 0.000 0.745 217 E HN 0.347 nan 8.360 nan 0.000 0.458 218 A N 0.724 123.288 122.820 -0.426 0.000 1.877 218 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 218 A C 1.990 179.476 177.584 -0.163 0.000 1.186 218 A CA 1.364 53.270 52.037 -0.219 0.000 0.620 218 A CB -0.929 18.134 19.000 0.104 0.000 0.822 218 A HN 0.505 nan 8.150 nan 0.000 0.443 219 F N 1.596 121.416 119.950 -0.217 0.000 2.091 219 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 219 F C 2.415 178.085 175.800 -0.217 0.000 1.103 219 F CA 2.448 60.355 58.000 -0.156 0.000 1.228 219 F CB -0.823 38.114 39.000 -0.105 0.000 0.984 219 F HN 0.215 nan 8.300 nan 0.000 0.477 220 T N 0.725 115.023 114.554 -0.426 0.000 2.701 220 T HA -0.121 4.228 4.350 -0.000 0.000 0.263 220 T C 2.244 176.660 174.700 -0.473 0.000 1.040 220 T CA 1.546 63.388 62.100 -0.430 0.000 1.147 220 T CB -0.962 67.847 68.868 -0.099 0.000 0.865 220 T HN 0.377 nan 8.240 nan 0.000 0.426 221 A N 1.296 123.728 122.820 -0.646 0.000 1.902 221 A HA -0.037 4.282 4.320 -0.000 0.000 0.217 221 A C 2.227 179.478 177.584 -0.554 0.000 1.181 221 A CA 1.189 52.689 52.037 -0.895 0.000 0.623 221 A CB -0.542 17.452 19.000 -1.676 0.000 0.818 221 A HN 0.390 nan 8.150 nan 0.000 0.443 222 I N -0.521 119.792 120.570 -0.428 0.000 2.339 222 I HA -0.059 4.111 4.170 -0.000 0.000 0.245 222 I C 1.736 177.723 176.117 -0.218 0.000 1.096 222 I CA 1.339 62.485 61.300 -0.256 0.000 1.408 222 I CB -1.521 36.389 38.000 -0.151 0.000 1.092 222 I HN 0.248 nan 8.210 nan 0.000 0.423 223 N N 0.343 118.835 118.700 -0.346 0.000 2.402 223 N HA 0.108 4.848 4.740 -0.000 0.000 0.174 223 N C 1.791 177.066 175.510 -0.391 0.000 1.027 223 N CA 0.614 53.442 53.050 -0.370 0.000 0.891 223 N CB 0.175 38.308 38.487 -0.590 0.000 1.016 223 N HN 0.211 nan 8.380 nan 0.000 0.439 224 L N -0.891 120.044 121.223 -0.480 0.000 2.416 224 L HA 0.182 4.522 4.340 -0.000 0.000 0.216 224 L C 1.205 177.987 176.870 -0.146 0.000 1.098 224 L CA 0.355 55.000 54.840 -0.324 0.000 0.840 224 L CB 0.313 42.162 42.059 -0.349 0.000 0.981 224 L HN -0.025 nan 8.230 nan 0.000 0.462 225 V N -1.867 117.966 119.914 -0.135 0.000 3.001 225 V HA -0.033 4.087 4.120 -0.000 0.000 0.228 225 V C 2.244 178.350 176.094 0.021 0.000 1.204 225 V CA 1.139 63.423 62.300 -0.025 0.000 1.247 225 V CB 0.358 32.194 31.823 0.020 0.000 1.093 225 V HN 0.174 nan 8.190 nan 0.000 0.504 226 T N 0.269 114.812 114.554 -0.018 0.000 2.708 226 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 226 T C 1.899 176.676 174.700 0.129 0.000 1.037 226 T CA 1.769 63.915 62.100 0.077 0.000 1.146 226 T CB -0.168 68.706 68.868 0.009 0.000 0.865 226 T HN 0.300 nan 8.240 nan 0.000 0.435 227 K N 0.587 121.030 120.400 0.072 0.000 2.026 227 K HA -0.058 4.261 4.320 -0.000 0.000 0.208 227 K C -0.656 176.043 176.600 0.164 0.000 1.048 227 K CA 1.367 57.740 56.287 0.142 0.000 0.929 227 K CB -0.844 31.747 32.500 0.151 0.000 0.713 227 K HN 0.266 nan 8.250 nan 0.000 0.439 228 P HA -0.147 nan 4.420 nan 0.000 0.218 228 P C 0.791 178.185 177.300 0.157 0.000 1.149 228 P CA 1.419 64.593 63.100 0.124 0.000 0.817 228 P CB 0.078 31.828 31.700 0.084 0.000 0.785 229 A N -0.576 122.358 122.820 0.191 0.000 1.873 229 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 229 A C 2.308 180.110 177.584 0.364 0.000 1.186 229 A CA 1.710 53.913 52.037 0.277 0.000 0.616 229 A CB -1.684 17.494 19.000 0.297 0.000 0.823 229 A HN 0.010 nan 8.150 nan 0.000 0.442 230 V N 0.183 120.270 119.914 0.287 0.000 2.332 230 V HA -0.290 3.829 4.120 -0.000 0.000 0.248 230 V C 2.417 178.553 176.094 0.070 0.000 1.055 230 V CA 2.446 64.748 62.300 0.004 0.000 1.038 230 V CB -0.891 30.951 31.823 0.031 0.000 0.651 230 V HN 0.658 nan 8.190 nan 0.000 0.450 231 E N -0.542 119.745 120.200 0.145 0.000 2.107 231 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 231 E C 2.331 178.987 176.600 0.092 0.000 0.982 231 E CA 0.996 57.462 56.400 0.111 0.000 0.809 231 E CB -0.091 29.692 29.700 0.138 0.000 0.756 231 E HN 0.525 nan 8.360 nan 0.000 0.459 232 E N 0.554 120.826 120.200 0.121 0.000 2.072 232 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 232 E C 2.014 178.694 176.600 0.132 0.000 0.982 232 E CA 1.020 57.491 56.400 0.119 0.000 0.803 232 E CB -0.272 29.503 29.700 0.124 0.000 0.755 232 E HN 0.242 nan 8.360 nan 0.000 0.453 233 A N 0.694 123.607 122.820 0.155 0.000 1.855 233 A HA -0.112 4.207 4.320 -0.000 0.000 0.215 233 A C 2.195 179.851 177.584 0.121 0.000 1.191 233 A CA 1.208 53.343 52.037 0.164 0.000 0.613 233 A CB -0.480 18.628 19.000 0.179 0.000 0.829 233 A HN 0.171 nan 8.150 nan 0.000 0.442 234 L N -0.935 120.290 121.223 0.004 0.000 2.307 234 L HA 0.159 4.499 4.340 -0.000 0.000 0.211 234 L C 2.171 179.144 176.870 0.172 0.000 1.099 234 L CA 0.852 55.742 54.840 0.083 0.000 0.816 234 L CB -0.122 41.954 42.059 0.030 0.000 0.952 234 L HN 0.327 nan 8.230 nan 0.000 0.455 235 L N -2.307 118.977 121.223 0.102 0.000 2.356 235 L HA 0.050 4.390 4.340 -0.000 0.000 0.193 235 L C 2.361 179.275 176.870 0.074 0.000 1.087 235 L CA 0.241 55.118 54.840 0.061 0.000 0.817 235 L CB -0.469 41.555 42.059 -0.058 0.000 1.035 235 L HN 0.110 nan 8.230 nan 0.000 0.482 236 Q N 0.211 120.054 119.800 0.071 0.000 1.993 236 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 236 Q C 2.289 178.340 176.000 0.085 0.000 0.984 236 Q CA 1.870 57.714 55.803 0.068 0.000 0.837 236 Q CB -0.009 28.769 28.738 0.066 0.000 0.902 236 Q HN 0.268 nan 8.270 nan 0.000 0.423 237 Q N -0.531 119.336 119.800 0.112 0.000 2.062 237 Q HA -0.040 4.300 4.340 -0.000 0.000 0.196 237 Q C 2.134 178.211 176.000 0.129 0.000 0.967 237 Q CA 0.838 56.707 55.803 0.110 0.000 0.832 237 Q CB -0.496 28.319 28.738 0.128 0.000 0.899 237 Q HN 0.363 nan 8.270 nan 0.000 0.442 238 L N 0.717 122.057 121.223 0.194 0.000 2.046 238 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 238 L C 2.088 179.089 176.870 0.217 0.000 1.077 238 L CA 2.261 57.243 54.840 0.236 0.000 0.747 238 L CB -1.038 41.225 42.059 0.340 0.000 0.896 238 L HN 0.229 nan 8.230 nan 0.000 0.432 239 G N -1.572 107.327 108.800 0.164 0.000 2.440 239 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 239 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 239 G C 1.600 176.540 174.900 0.066 0.000 1.154 239 G CA 0.950 46.118 45.100 0.112 0.000 0.767 239 G HN 0.477 nan 8.290 nan 0.000 0.552 240 S N 0.191 115.923 115.700 0.054 0.000 2.368 240 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 240 S C 2.175 176.769 174.600 -0.010 0.000 1.030 240 S CA 1.159 59.369 58.200 0.016 0.000 0.999 240 S CB -0.300 62.912 63.200 0.020 0.000 0.844 240 S HN 0.262 nan 8.310 nan 0.000 0.459 241 L N 1.996 123.235 121.223 0.027 0.000 2.046 241 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 241 L C 2.355 179.130 176.870 -0.159 0.000 1.077 241 L CA 1.888 56.729 54.840 0.001 0.000 0.747 241 L CB -1.091 41.038 42.059 0.116 0.000 0.896 241 L HN 0.243 nan 8.230 nan 0.000 0.432 242 A N -1.099 121.680 122.820 -0.068 0.000 1.892 242 A HA -0.323 3.996 4.320 -0.000 0.000 0.218 242 A C 2.339 179.691 177.584 -0.387 0.000 1.188 242 A CA 2.091 53.934 52.037 -0.323 0.000 0.631 242 A CB -0.820 18.246 19.000 0.109 0.000 0.822 242 A HN 0.660 nan 8.150 nan 0.000 0.447 243 Q N -0.038 119.657 119.800 -0.174 0.000 2.061 243 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 243 Q C 2.354 178.246 176.000 -0.179 0.000 0.984 243 Q CA 2.311 58.032 55.803 -0.137 0.000 0.846 243 Q CB -0.209 28.489 28.738 -0.067 0.000 0.902 243 Q HN 0.803 nan 8.270 nan 0.000 0.421 244 S N -0.354 115.237 115.700 -0.181 0.000 2.447 244 S HA -0.066 4.404 4.470 -0.000 0.000 0.233 244 S C 1.290 175.748 174.600 -0.237 0.000 1.006 244 S CA 0.731 58.833 58.200 -0.164 0.000 0.957 244 S CB 0.065 63.196 63.200 -0.115 0.000 0.773 244 S HN 0.280 nan 8.310 nan 0.000 0.507 245 E N 0.651 120.600 120.200 -0.418 0.000 2.465 245 E HA 0.266 4.616 4.350 -0.000 0.000 0.191 245 E C 1.349 177.627 176.600 -0.535 0.000 1.053 245 E CA 0.513 56.587 56.400 -0.543 0.000 0.869 245 E CB 0.176 29.262 29.700 -1.022 0.000 0.977 245 E HN 0.704 nan 8.360 nan 0.000 0.483 246 G N 1.659 110.223 108.800 -0.394 0.000 2.194 246 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.236 246 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.236 246 G C 0.153 174.901 174.900 -0.253 0.000 0.987 246 G CA 0.092 45.026 45.100 -0.277 0.000 0.635 246 G HN 0.254 nan 8.290 nan 0.000 0.520 247 D N 1.563 121.751 120.400 -0.354 0.000 2.517 247 D HA 0.405 5.045 4.640 -0.000 0.000 0.220 247 D C 1.841 178.207 176.300 0.110 0.000 1.158 247 D CA 0.686 54.651 54.000 -0.058 0.000 0.992 247 D CB 0.446 41.217 40.800 -0.047 0.000 1.058 247 D HN 0.260 nan 8.370 nan 0.000 0.516 248 T N 1.690 116.397 114.554 0.256 0.000 2.904 248 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 248 T C 2.067 176.780 174.700 0.022 0.000 1.059 248 T CA 0.575 62.736 62.100 0.101 0.000 1.137 248 T CB -0.165 68.751 68.868 0.079 0.000 0.879 248 T HN 0.402 nan 8.240 nan 0.000 0.467 249 L N 0.002 121.166 121.223 -0.099 0.000 1.970 249 L HA 0.015 4.355 4.340 -0.000 0.000 0.212 249 L C 2.532 179.370 176.870 -0.053 0.000 1.071 249 L CA 1.666 56.375 54.840 -0.218 0.000 0.751 249 L CB -0.478 41.273 42.059 -0.513 0.000 0.889 249 L HN 0.326 nan 8.230 nan 0.000 0.432 250 L N 0.073 121.295 121.223 -0.003 0.000 2.083 250 L HA -0.054 4.285 4.340 -0.000 0.000 0.209 250 L C 2.298 179.183 176.870 0.024 0.000 1.083 250 L CA 2.023 56.856 54.840 -0.012 0.000 0.752 250 L CB -1.335 40.709 42.059 -0.026 0.000 0.899 250 L HN 0.283 nan 8.230 nan 0.000 0.433 251 G N -0.272 108.544 108.800 0.026 0.000 2.476 251 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 251 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 251 G C 1.602 176.513 174.900 0.018 0.000 1.164 251 G CA 1.294 46.405 45.100 0.019 0.000 0.768 251 G HN 0.447 nan 8.290 nan 0.000 0.560 252 L N -0.494 120.734 121.223 0.010 0.000 2.072 252 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 252 L C 2.676 179.550 176.870 0.007 0.000 1.079 252 L CA 0.261 55.114 54.840 0.022 0.000 0.752 252 L CB -0.440 41.624 42.059 0.008 0.000 0.906 252 L HN 0.206 nan 8.230 nan 0.000 0.436 253 L N 0.499 121.709 121.223 -0.023 0.000 2.012 253 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 253 L C 2.615 179.474 176.870 -0.018 0.000 1.073 253 L CA 2.190 57.007 54.840 -0.039 0.000 0.748 253 L CB -0.771 41.319 42.059 0.050 0.000 0.891 253 L HN 0.168 nan 8.230 nan 0.000 0.431 254 A N -1.324 121.503 122.820 0.011 0.000 1.930 254 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 254 A C 2.318 179.877 177.584 -0.040 0.000 1.175 254 A CA 1.624 53.655 52.037 -0.010 0.000 0.627 254 A CB -0.670 18.360 19.000 0.049 0.000 0.815 254 A HN 0.666 nan 8.150 nan 0.000 0.443 255 Q N -0.493 119.305 119.800 -0.003 0.000 2.119 255 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 255 Q C 2.144 178.147 176.000 0.005 0.000 0.972 255 Q CA 1.435 57.239 55.803 0.002 0.000 0.847 255 Q CB -0.331 28.419 28.738 0.021 0.000 0.903 255 Q HN 0.600 nan 8.270 nan 0.000 0.433 256 A N 0.625 123.465 122.820 0.034 0.000 1.902 256 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 256 A C 1.925 179.528 177.584 0.031 0.000 1.181 256 A CA 1.669 53.747 52.037 0.069 0.000 0.623 256 A CB -0.516 18.545 19.000 0.102 0.000 0.818 256 A HN 0.539 nan 8.150 nan 0.000 0.443 257 Q N -0.980 118.783 119.800 -0.061 0.000 2.119 257 Q HA -0.148 4.191 4.340 -0.000 0.000 0.201 257 Q C 2.078 177.979 176.000 -0.166 0.000 0.972 257 Q CA 1.528 57.206 55.803 -0.208 0.000 0.847 257 Q CB -0.147 28.155 28.738 -0.726 0.000 0.903 257 Q HN 0.594 nan 8.270 nan 0.000 0.433 258 K N 1.124 121.439 120.400 -0.142 0.000 2.211 258 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 258 K C 1.814 178.415 176.600 0.001 0.000 1.047 258 K CA 1.029 57.276 56.287 -0.066 0.000 0.935 258 K CB 0.117 32.593 32.500 -0.040 0.000 0.728 258 K HN 0.062 nan 8.250 nan 0.000 0.452 259 R N 0.249 120.756 120.500 0.012 0.000 2.096 259 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 259 R C 1.591 177.900 176.300 0.016 0.000 1.127 259 R CA 1.591 57.700 56.100 0.015 0.000 0.968 259 R CB -0.261 30.046 30.300 0.011 0.000 0.861 259 R HN 0.293 nan 8.270 nan 0.000 0.440 260 D N 0.602 121.042 120.400 0.067 0.000 2.097 260 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 260 D C 1.856 177.944 176.300 -0.352 0.000 0.984 260 D CA 1.528 55.515 54.000 -0.021 0.000 0.826 260 D CB -0.323 40.651 40.800 0.290 0.000 0.973 260 D HN 0.225 nan 8.370 nan 0.000 0.460 261 A N 1.038 123.857 122.820 -0.003 0.000 1.908 261 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 261 A C 2.086 179.665 177.584 -0.009 0.000 1.181 261 A CA 1.693 53.758 52.037 0.047 0.000 0.627 261 A CB -0.626 18.503 19.000 0.215 0.000 0.818 261 A HN 0.205 nan 8.150 nan 0.000 0.445 262 E N -0.865 119.338 120.200 0.005 0.000 2.085 262 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 262 E C 2.263 178.892 176.600 0.048 0.000 0.994 262 E CA 1.296 57.717 56.400 0.034 0.000 0.801 262 E CB -0.159 29.561 29.700 0.033 0.000 0.743 262 E HN 0.615 nan 8.360 nan 0.000 0.453 263 R N 0.167 120.679 120.500 0.019 0.000 2.083 263 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 263 R C 2.042 178.521 176.300 0.298 0.000 1.137 263 R CA 1.899 58.076 56.100 0.128 0.000 0.951 263 R CB -0.226 30.149 30.300 0.125 0.000 0.851 263 R HN 0.414 nan 8.270 nan 0.000 0.434 264 H N -0.925 118.288 119.070 0.239 0.000 2.352 264 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 264 H C 2.312 177.562 175.328 -0.131 0.000 1.097 264 H CA 1.433 57.567 56.048 0.144 0.000 1.311 264 H CB 0.005 29.845 29.762 0.129 0.000 1.377 264 H HN 0.202 nan 8.280 nan 0.000 0.504 265 R N 0.628 121.182 120.500 0.089 0.000 2.092 265 R HA -0.045 4.295 4.340 -0.000 0.000 0.231 265 R C 2.450 178.774 176.300 0.040 0.000 1.119 265 R CA 0.799 56.906 56.100 0.012 0.000 0.970 265 R CB -0.024 30.303 30.300 0.045 0.000 0.864 265 R HN 0.325 nan 8.270 nan 0.000 0.440 266 R N 0.257 120.827 120.500 0.117 0.000 2.073 266 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 266 R C 2.245 178.710 176.300 0.274 0.000 1.134 266 R CA 1.805 58.007 56.100 0.169 0.000 0.952 266 R CB -0.340 30.065 30.300 0.174 0.000 0.850 266 R HN 0.533 nan 8.270 nan 0.000 0.433 267 W N 0.334 121.786 121.300 0.253 0.000 2.476 267 W HA 0.054 4.714 4.660 -0.000 0.000 0.281 267 W C 1.229 177.985 176.519 0.395 0.000 1.230 267 W CA 0.422 57.976 57.345 0.349 0.000 1.287 267 W CB -0.595 29.088 29.460 0.372 0.000 1.108 267 W HN -0.096 nan 8.180 nan 0.000 0.567 268 S N 1.190 116.733 115.700 -0.261 0.000 2.368 268 S HA -0.241 4.228 4.470 -0.000 0.000 0.225 268 S C 2.053 176.765 174.600 0.188 0.000 1.030 268 S CA 1.922 60.023 58.200 -0.165 0.000 0.999 268 S CB -0.624 62.369 63.200 -0.345 0.000 0.844 268 S HN 0.408 nan 8.310 nan 0.000 0.459 269 S N 1.384 117.168 115.700 0.140 0.000 2.383 269 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 269 S C 2.049 176.797 174.600 0.246 0.000 1.026 269 S CA 1.099 59.398 58.200 0.164 0.000 0.981 269 S CB -0.424 62.841 63.200 0.108 0.000 0.818 269 S HN 0.519 nan 8.310 nan 0.000 0.472 270 A N 1.152 124.173 122.820 0.334 0.000 1.933 270 A HA 0.022 4.341 4.320 -0.000 0.000 0.218 270 A C 2.118 180.032 177.584 0.550 0.000 1.175 270 A CA 1.547 53.833 52.037 0.414 0.000 0.628 270 A CB -0.791 18.464 19.000 0.424 0.000 0.814 270 A HN 0.550 nan 8.150 nan 0.000 0.444 271 L N -0.277 121.280 121.223 0.557 0.000 2.056 271 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 271 L C 2.416 179.453 176.870 0.278 0.000 1.078 271 L CA 1.685 56.695 54.840 0.283 0.000 0.749 271 L CB -0.517 41.422 42.059 -0.200 0.000 0.901 271 L HN 0.146 nan 8.230 nan 0.000 0.433 272 V N -0.049 120.044 119.914 0.299 0.000 2.332 272 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 272 V C 2.652 178.898 176.094 0.254 0.000 1.055 272 V CA 2.094 64.569 62.300 0.292 0.000 1.038 272 V CB -0.665 31.316 31.823 0.263 0.000 0.651 272 V HN 0.533 nan 8.190 nan 0.000 0.450 273 K N -0.258 120.288 120.400 0.243 0.000 2.020 273 K HA -0.283 4.037 4.320 -0.000 0.000 0.212 273 K C 2.279 179.018 176.600 0.231 0.000 1.050 273 K CA 2.500 58.913 56.287 0.209 0.000 0.929 273 K CB -0.270 32.347 32.500 0.196 0.000 0.714 273 K HN 0.442 nan 8.250 nan 0.000 0.443 274 M N 0.164 119.941 119.600 0.295 0.000 2.086 274 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 274 M C 2.047 178.536 176.300 0.316 0.000 1.067 274 M CA 1.952 57.430 55.300 0.297 0.000 1.116 274 M CB -0.197 32.618 32.600 0.358 0.000 1.348 274 M HN 0.271 nan 8.290 nan 0.000 0.407 275 A N 0.800 123.849 122.820 0.382 0.000 1.948 275 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 275 A C 1.970 179.704 177.584 0.250 0.000 1.177 275 A CA 1.593 53.869 52.037 0.399 0.000 0.636 275 A CB -1.176 18.091 19.000 0.446 0.000 0.815 275 A HN 0.646 nan 8.150 nan 0.000 0.449 276 L N -0.549 120.796 121.223 0.203 0.000 2.549 276 L HA -0.134 4.206 4.340 -0.000 0.000 0.229 276 L C 2.056 178.989 176.870 0.104 0.000 1.158 276 L CA 0.809 55.730 54.840 0.135 0.000 0.842 276 L CB -0.628 41.503 42.059 0.120 0.000 0.952 276 L HN 0.519 nan 8.230 nan 0.000 0.452 277 E N 0.382 120.657 120.200 0.124 0.000 2.268 277 E HA -0.147 4.202 4.350 -0.000 0.000 0.195 277 E C 0.885 177.486 176.600 0.002 0.000 0.995 277 E CA 0.651 57.096 56.400 0.076 0.000 0.836 277 E CB 0.177 29.950 29.700 0.121 0.000 0.763 277 E HN 0.263 nan 8.360 nan 0.000 0.491 278 K N 1.512 121.908 120.400 -0.007 0.000 2.185 278 K HA 0.136 4.456 4.320 -0.000 0.000 0.269 278 K C -0.751 175.842 176.600 -0.011 0.000 0.987 278 K CA -0.352 55.900 56.287 -0.059 0.000 0.865 278 K CB 1.143 33.574 32.500 -0.116 0.000 1.090 278 K HN -0.193 nan 8.250 nan 0.000 0.450 279 E N 1.595 121.783 120.200 -0.020 0.000 2.442 279 E HA 0.043 4.393 4.350 -0.000 0.000 0.262 279 E C 0.688 177.286 176.600 -0.005 0.000 1.004 279 E CA 1.612 58.007 56.400 -0.008 0.000 0.928 279 E CB 0.503 30.195 29.700 -0.013 0.000 0.937 279 E HN 0.899 nan 8.360 nan 0.000 0.446 280 G N 3.380 112.178 108.800 -0.003 0.000 2.258 280 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.233 280 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.233 280 G C 1.004 175.893 174.900 -0.017 0.000 1.006 280 G CA 0.300 45.392 45.100 -0.014 0.000 0.620 280 G HN 0.547 nan 8.290 nan 0.000 0.511 281 N N 0.488 119.197 118.700 0.015 0.000 2.142 281 N HA -0.015 4.725 4.740 -0.000 0.000 0.186 281 N C 2.088 177.612 175.510 0.025 0.000 1.023 281 N CA 1.432 54.505 53.050 0.038 0.000 0.852 281 N CB -0.430 38.129 38.487 0.121 0.000 0.998 281 N HN 0.654 nan 8.380 nan 0.000 0.424 282 R N 1.168 121.688 120.500 0.033 0.000 2.083 282 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 282 R C 1.271 177.566 176.300 -0.008 0.000 1.137 282 R CA 1.574 57.692 56.100 0.031 0.000 0.951 282 R CB 0.057 30.377 30.300 0.034 0.000 0.851 282 R HN 0.116 nan 8.270 nan 0.000 0.434 283 E N -0.198 119.982 120.200 -0.034 0.000 2.106 283 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 283 E C 1.932 178.448 176.600 -0.140 0.000 0.984 283 E CA 1.015 57.377 56.400 -0.064 0.000 0.806 283 E CB -0.142 29.523 29.700 -0.059 0.000 0.750 283 E HN 0.117 nan 8.360 nan 0.000 0.458 284 V N 0.591 120.387 119.914 -0.197 0.000 2.358 284 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 284 V C 2.119 177.919 176.094 -0.491 0.000 1.047 284 V CA 1.422 63.458 62.300 -0.440 0.000 1.035 284 V CB -0.348 31.206 31.823 -0.449 0.000 0.658 284 V HN 0.239 nan 8.190 nan 0.000 0.452 285 L N -0.772 120.353 121.223 -0.163 0.000 2.056 285 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 285 L C 2.615 179.536 176.870 0.085 0.000 1.078 285 L CA 1.501 56.381 54.840 0.067 0.000 0.749 285 L CB -0.523 41.622 42.059 0.144 0.000 0.901 285 L HN 0.347 nan 8.230 nan 0.000 0.433 286 Q N -0.232 119.580 119.800 0.019 0.000 2.167 286 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 286 Q C 2.155 178.175 176.000 0.033 0.000 0.970 286 Q CA 1.217 57.042 55.803 0.036 0.000 0.855 286 Q CB -0.032 28.715 28.738 0.015 0.000 0.911 286 Q HN 0.362 nan 8.270 nan 0.000 0.438 287 K N -0.105 120.274 120.400 -0.036 0.000 2.103 287 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 287 K C 1.589 178.250 176.600 0.101 0.000 1.052 287 K CA 0.901 57.166 56.287 -0.036 0.000 0.945 287 K CB 0.101 32.505 32.500 -0.159 0.000 0.722 287 K HN 0.232 nan 8.250 nan 0.000 0.443 288 W N 0.773 122.119 121.300 0.076 0.000 2.409 288 W HA -0.090 4.570 4.660 -0.000 0.000 0.299 288 W C 2.023 178.670 176.519 0.213 0.000 1.203 288 W CA 0.283 57.722 57.345 0.157 0.000 1.298 288 W CB -0.903 28.647 29.460 0.150 0.000 1.127 288 W HN -0.113 nan 8.180 nan 0.000 0.528 289 V N 1.053 121.183 119.914 0.361 0.000 2.332 289 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 289 V C 2.486 178.690 176.094 0.183 0.000 1.055 289 V CA 2.399 64.841 62.300 0.237 0.000 1.038 289 V CB -1.461 30.449 31.823 0.145 0.000 0.651 289 V HN 0.130 nan 8.190 nan 0.000 0.450 290 A N -0.533 122.365 122.820 0.130 0.000 2.015 290 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 290 A C 2.330 179.929 177.584 0.025 0.000 1.163 290 A CA 1.842 53.918 52.037 0.064 0.000 0.646 290 A CB -0.406 18.614 19.000 0.034 0.000 0.806 290 A HN 0.567 nan 8.150 nan 0.000 0.448 291 K N -1.523 118.889 120.400 0.020 0.000 2.057 291 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 291 K C 1.664 178.079 176.600 -0.309 0.000 1.050 291 K CA 1.547 57.727 56.287 -0.177 0.000 0.935 291 K CB -0.247 32.114 32.500 -0.232 0.000 0.715 291 K HN 0.627 nan 8.250 nan 0.000 0.439 292 W N 1.141 122.457 121.300 0.026 0.000 2.630 292 W HA 0.155 4.815 4.660 -0.000 0.000 0.271 292 W C 2.002 178.518 176.519 -0.005 0.000 1.244 292 W CA -0.068 57.275 57.345 -0.005 0.000 1.353 292 W CB 0.129 29.575 29.460 -0.023 0.000 1.080 292 W HN 0.161 nan 8.180 nan 0.000 0.594 293 E N 0.484 120.794 120.200 0.184 0.000 2.086 293 E HA -0.258 4.092 4.350 -0.000 0.000 0.200 293 E C -0.608 176.028 176.600 0.059 0.000 1.012 293 E CA 1.838 58.304 56.400 0.109 0.000 0.812 293 E CB -1.130 28.619 29.700 0.082 0.000 0.743 293 E HN 0.128 nan 8.360 nan 0.000 0.453 294 P HA -0.144 nan 4.420 nan 0.000 0.218 294 P C 1.285 178.578 177.300 -0.012 0.000 1.149 294 P CA 1.044 64.139 63.100 -0.009 0.000 0.817 294 P CB -0.010 31.666 31.700 -0.039 0.000 0.785 295 L N -1.238 119.988 121.223 0.005 0.000 2.141 295 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 295 L C 2.417 179.292 176.870 0.008 0.000 1.094 295 L CA 1.266 56.116 54.840 0.017 0.000 0.763 295 L CB -0.922 41.188 42.059 0.085 0.000 0.908 295 L HN -0.039 nan 8.230 nan 0.000 0.437 296 A N -0.217 122.632 122.820 0.047 0.000 1.898 296 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 296 A C 1.879 179.430 177.584 -0.056 0.000 1.181 296 A CA 1.723 53.766 52.037 0.011 0.000 0.620 296 A CB -0.414 18.633 19.000 0.078 0.000 0.819 296 A HN 0.315 nan 8.150 nan 0.000 0.442 297 D N -0.008 120.377 120.400 -0.024 0.000 2.092 297 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 297 D C 1.880 178.135 176.300 -0.074 0.000 0.994 297 D CA 1.430 55.409 54.000 -0.035 0.000 0.828 297 D CB -0.318 40.474 40.800 -0.014 0.000 0.963 297 D HN 0.434 nan 8.370 nan 0.000 0.450 298 K N 0.414 120.766 120.400 -0.079 0.000 2.074 298 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 298 K C 2.089 178.585 176.600 -0.173 0.000 1.048 298 K CA 1.224 57.454 56.287 -0.096 0.000 0.926 298 K CB -0.125 32.328 32.500 -0.079 0.000 0.713 298 K HN 0.052 nan 8.250 nan 0.000 0.444 299 A N 1.451 124.091 122.820 -0.300 0.000 1.865 299 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 299 A C 2.115 179.299 177.584 -0.667 0.000 1.191 299 A CA 1.475 53.094 52.037 -0.696 0.000 0.623 299 A CB -0.631 17.693 19.000 -1.127 0.000 0.826 299 A HN 0.202 nan 8.150 nan 0.000 0.444 300 I N -0.584 119.750 120.570 -0.393 0.000 2.179 300 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 300 I C 2.571 178.679 176.117 -0.014 0.000 1.088 300 I CA 1.769 63.013 61.300 -0.093 0.000 1.357 300 I CB -0.488 37.510 38.000 -0.003 0.000 1.051 300 I HN 0.448 nan 8.210 nan 0.000 0.409 301 E N 0.804 120.973 120.200 -0.051 0.000 2.058 301 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 301 E C 2.312 178.907 176.600 -0.008 0.000 0.997 301 E CA 1.547 57.934 56.400 -0.021 0.000 0.801 301 E CB -0.221 29.460 29.700 -0.031 0.000 0.746 301 E HN 0.531 nan 8.360 nan 0.000 0.450 302 A N 0.163 122.966 122.820 -0.028 0.000 1.929 302 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 302 A C 1.986 179.598 177.584 0.046 0.000 1.176 302 A CA 1.188 53.223 52.037 -0.004 0.000 0.628 302 A CB -0.581 18.406 19.000 -0.021 0.000 0.816 302 A HN 0.392 nan 8.150 nan 0.000 0.444 303 Y N -0.323 119.944 120.300 -0.054 0.000 2.176 303 Y HA -0.190 4.360 4.550 -0.000 0.000 0.291 303 Y C 2.555 178.477 175.900 0.037 0.000 1.122 303 Y CA 1.842 59.941 58.100 -0.001 0.000 1.128 303 Y CB -0.508 37.996 38.460 0.074 0.000 1.005 303 Y HN 0.333 nan 8.280 nan 0.000 0.509 304 C N 0.288 119.679 119.300 0.151 0.000 2.446 304 C HA -0.090 4.370 4.460 -0.000 0.000 0.279 304 C C 3.022 177.983 174.990 -0.048 0.000 1.366 304 C CA 1.241 60.278 59.018 0.033 0.000 1.763 304 C CB -1.512 26.296 27.740 0.114 0.000 1.929 304 C HN 0.776 nan 8.230 nan 0.000 0.509 305 S N 1.557 117.247 115.700 -0.016 0.000 2.423 305 S HA -0.035 4.434 4.470 -0.000 0.000 0.231 305 S C 1.766 176.346 174.600 -0.032 0.000 1.014 305 S CA 1.317 59.504 58.200 -0.021 0.000 0.965 305 S CB -0.328 62.868 63.200 -0.007 0.000 0.785 305 S HN 0.602 nan 8.310 nan 0.000 0.495 306 A N 0.892 123.693 122.820 -0.031 0.000 2.123 306 A HA 0.459 4.779 4.320 -0.000 0.000 0.214 306 A C 1.002 178.547 177.584 -0.065 0.000 1.152 306 A CA -0.129 51.936 52.037 0.046 0.000 0.728 306 A CB -0.360 18.757 19.000 0.195 0.000 0.814 306 A HN 0.539 nan 8.150 nan 0.000 0.464 307 L N 0.365 121.378 121.223 -0.350 0.000 2.464 307 L HA 0.221 4.561 4.340 -0.000 0.000 0.264 307 L C -2.125 174.616 176.870 -0.215 0.000 1.199 307 L CA -2.036 52.490 54.840 -0.522 0.000 0.818 307 L CB -0.031 41.722 42.059 -0.511 0.000 1.102 307 L HN 0.001 nan 8.230 nan 0.000 0.473 308 P HA -0.143 nan 4.420 nan 0.000 0.259 308 P C -0.113 177.152 177.300 -0.058 0.000 1.155 308 P CA 0.690 63.751 63.100 -0.065 0.000 0.759 308 P CB 0.154 31.838 31.700 -0.027 0.000 0.753 309 D N 2.473 122.851 120.400 -0.036 0.000 2.772 309 D HA -0.160 4.480 4.640 -0.000 0.000 0.233 309 D C 1.427 177.707 176.300 -0.032 0.000 1.143 309 D CA 1.337 55.320 54.000 -0.027 0.000 0.700 309 D CB -1.220 39.567 40.800 -0.022 0.000 1.076 309 D HN 0.532 nan 8.370 nan 0.000 0.430 310 G N 0.391 109.166 108.800 -0.043 0.000 2.469 310 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 310 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 310 G C 1.357 176.244 174.900 -0.021 0.000 1.150 310 G CA 1.099 46.172 45.100 -0.046 0.000 0.763 310 G HN 0.388 nan 8.290 nan 0.000 0.561 311 E N 0.607 120.799 120.200 -0.014 0.000 2.110 311 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 311 E C 2.346 178.946 176.600 -0.001 0.000 0.988 311 E CA 1.035 57.432 56.400 -0.006 0.000 0.804 311 E CB -0.406 29.291 29.700 -0.006 0.000 0.745 311 E HN 0.451 nan 8.360 nan 0.000 0.458 312 N N 0.979 119.677 118.700 -0.003 0.000 2.188 312 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 312 N C 1.666 177.181 175.510 0.008 0.000 1.018 312 N CA 1.535 54.586 53.050 0.001 0.000 0.858 312 N CB -0.165 38.320 38.487 -0.003 0.000 0.989 312 N HN 0.103 nan 8.380 nan 0.000 0.426 313 A N 0.799 123.624 122.820 0.008 0.000 1.892 313 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 313 A C 2.318 179.927 177.584 0.042 0.000 1.188 313 A CA 1.463 53.515 52.037 0.026 0.000 0.631 313 A CB -0.925 18.085 19.000 0.017 0.000 0.822 313 A HN 0.398 nan 8.150 nan 0.000 0.447 314 I N -0.638 119.952 120.570 0.033 0.000 2.127 314 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 314 I C 2.396 178.533 176.117 0.034 0.000 1.075 314 I CA 1.456 62.778 61.300 0.037 0.000 1.334 314 I CB -0.519 37.494 38.000 0.021 0.000 1.040 314 I HN 0.170 nan 8.210 nan 0.000 0.405 315 V N 0.741 120.668 119.914 0.023 0.000 2.287 315 V HA -0.300 3.819 4.120 -0.000 0.000 0.248 315 V C 2.400 178.509 176.094 0.024 0.000 1.053 315 V CA 2.097 64.409 62.300 0.020 0.000 1.027 315 V CB -0.654 31.175 31.823 0.011 0.000 0.646 315 V HN 0.453 nan 8.190 nan 0.000 0.447 316 E N 0.037 120.252 120.200 0.025 0.000 2.047 316 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 316 E C 2.346 178.974 176.600 0.046 0.000 0.987 316 E CA 1.167 57.582 56.400 0.026 0.000 0.799 316 E CB -0.375 29.338 29.700 0.022 0.000 0.752 316 E HN 0.586 nan 8.360 nan 0.000 0.449 317 A N 1.843 124.700 122.820 0.063 0.000 1.908 317 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 317 A C 1.989 179.622 177.584 0.082 0.000 1.181 317 A CA 1.630 53.719 52.037 0.087 0.000 0.627 317 A CB -0.346 18.724 19.000 0.115 0.000 0.818 317 A HN 0.048 nan 8.150 nan 0.000 0.445 318 K N -0.023 120.416 120.400 0.065 0.000 2.057 318 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 318 K C 2.439 179.080 176.600 0.068 0.000 1.050 318 K CA 1.659 57.983 56.287 0.061 0.000 0.935 318 K CB -0.178 32.348 32.500 0.044 0.000 0.715 318 K HN 0.690 nan 8.250 nan 0.000 0.439 319 S N 0.419 116.153 115.700 0.058 0.000 2.414 319 S HA 0.030 4.500 4.470 -0.000 0.000 0.227 319 S C 2.208 176.864 174.600 0.095 0.000 1.022 319 S CA 0.607 58.846 58.200 0.064 0.000 0.958 319 S CB 0.053 63.269 63.200 0.026 0.000 0.797 319 S HN 0.259 nan 8.310 nan 0.000 0.493 320 A N 2.619 125.489 122.820 0.083 0.000 1.898 320 A HA -0.014 4.305 4.320 -0.000 0.000 0.216 320 A C 2.531 180.210 177.584 0.158 0.000 1.181 320 A CA 1.949 54.054 52.037 0.113 0.000 0.620 320 A CB -1.249 17.800 19.000 0.083 0.000 0.819 320 A HN 0.783 nan 8.150 nan 0.000 0.442 321 S N -0.054 115.722 115.700 0.127 0.000 2.368 321 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 321 S C 1.994 176.662 174.600 0.114 0.000 1.029 321 S CA 1.147 59.418 58.200 0.119 0.000 0.988 321 S CB -0.458 62.809 63.200 0.112 0.000 0.838 321 S HN 0.582 nan 8.310 nan 0.000 0.462 322 R N -0.466 120.105 120.500 0.119 0.000 2.096 322 R HA -0.015 4.325 4.340 -0.000 0.000 0.235 322 R C 2.216 178.600 176.300 0.140 0.000 1.127 322 R CA 1.464 57.631 56.100 0.111 0.000 0.968 322 R CB -0.577 29.786 30.300 0.105 0.000 0.861 322 R HN 0.509 nan 8.270 nan 0.000 0.440 323 Y N 1.165 121.488 120.300 0.038 0.000 2.274 323 Y HA -0.220 4.330 4.550 -0.000 0.000 0.290 323 Y C 2.035 177.958 175.900 0.038 0.000 1.145 323 Y CA 1.000 59.122 58.100 0.037 0.000 1.203 323 Y CB -0.183 38.298 38.460 0.035 0.000 0.984 323 Y HN -0.221 nan 8.280 nan 0.000 0.533 324 V N 0.454 120.397 119.914 0.048 0.000 2.287 324 V HA -0.368 3.752 4.120 -0.000 0.000 0.248 324 V C 2.415 178.468 176.094 -0.068 0.000 1.053 324 V CA 2.473 64.760 62.300 -0.022 0.000 1.027 324 V CB -0.561 31.285 31.823 0.037 0.000 0.646 324 V HN 0.338 nan 8.190 nan 0.000 0.447 325 R N -0.612 119.870 120.500 -0.029 0.000 2.090 325 R HA -0.127 4.213 4.340 -0.000 0.000 0.228 325 R C 2.447 178.722 176.300 -0.042 0.000 1.110 325 R CA 1.283 57.370 56.100 -0.022 0.000 0.973 325 R CB -0.338 29.968 30.300 0.009 0.000 0.869 325 R HN 0.612 nan 8.270 nan 0.000 0.440 326 Q N -0.013 119.748 119.800 -0.066 0.000 2.077 326 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 326 Q C 1.889 177.801 176.000 -0.147 0.000 0.989 326 Q CA 1.396 57.150 55.803 -0.083 0.000 0.853 326 Q CB -0.059 28.640 28.738 -0.064 0.000 0.907 326 Q HN 0.198 nan 8.270 nan 0.000 0.418 327 M N -0.546 118.879 119.600 -0.291 0.000 2.632 327 M HA -0.042 4.438 4.480 -0.000 0.000 0.256 327 M C 1.417 177.658 176.300 -0.098 0.000 1.080 327 M CA 1.254 56.402 55.300 -0.253 0.000 1.084 327 M CB -0.353 32.015 32.600 -0.387 0.000 1.439 327 M HN 0.319 nan 8.290 nan 0.000 0.509 328 M N -1.077 118.489 119.600 -0.056 0.000 2.428 328 M HA 0.285 4.765 4.480 -0.000 0.000 0.239 328 M C 0.890 177.208 176.300 0.030 0.000 1.121 328 M CA 0.133 55.439 55.300 0.010 0.000 1.019 328 M CB 0.310 32.930 32.600 0.034 0.000 1.485 328 M HN 0.350 nan 8.290 nan 0.000 0.484 329 G N 0.000 108.807 108.800 0.011 0.000 5.446 329 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 329 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 329 G CA 0.000 45.116 45.100 0.026 0.000 0.502 329 G HN 0.000 nan 8.290 nan 0.000 0.925