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 2qa1_1_A DATA FIRST_RESID -1 DATA SEQUENCE HRSDAAVIVV GAGPAGMMLA GELRLAGVEV VVLERLVERT GESRGLGFTA DATA SEQUENCE RTMEVFDQRG ILPRFGEVET STQGHFGGLP IDFGVLEGAW QAAKTVPQSV DATA SEQUENCE TETHLEQWAT GLGADIRRGH EVLSLTDDGA GVTVEVRGPE GKHTLRAAYL DATA SEQUENCE VGCDGGRSSV RKAAGFDFPG TAATMEMYLA DIKGVELQPR MIGETLPGGM DATA SEQUENCE VMVGPLPGGI TRIIVCERGT PPXXXXXPPS WHEVADAWKR LTGDDIAHAE DATA SEQUENCE PVWVSAFGNA TRQVTEYRRG RVILAGDSAH IHLPAGGQGM NTSIQDAVNL DATA SEQUENCE GWKLGAVVNG TATEELLDSY HSERHAVGKR LLMNTQAQGL LFLSGPEVQP DATA SEQUENCE LRDVLTELIQ YGEVARHLAG MVSGLEITYD VGTGSHPLLG KRMPALELTT DATA SEQUENCE ATRETSSTEL LHTARGVLLD LADNPRLRAR AAAWSDRVDI VTAVPGEVSA DATA SEQUENCE TSGLRDTTAV LIRPDGHVAW AAPGSHHDLP MALERWFGAP LTG 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 -1 H HA 0.000 nan 4.556 nan 0.000 0.296 -1 H C 0.000 175.315 175.328 -0.021 0.000 0.993 -1 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 -1 H CB 0.000 29.739 29.762 -0.038 0.000 1.292 0 R N 1.239 121.873 120.500 0.225 0.000 2.585 0 R HA 0.305 4.645 4.340 0.000 0.000 0.275 0 R C 0.242 176.623 176.300 0.135 0.000 1.018 0 R CA 1.011 57.252 56.100 0.236 0.000 1.072 0 R CB 0.580 30.925 30.300 0.075 0.000 0.953 0 R HN 0.440 nan 8.270 nan 0.000 0.419 1 S N 0.287 116.068 115.700 0.136 0.000 1.613 1 S HA -0.147 4.323 4.470 0.000 0.000 0.248 1 S C -0.925 173.709 174.600 0.058 0.000 0.964 1 S CA 1.329 59.587 58.200 0.097 0.000 1.207 1 S CB -0.587 62.657 63.200 0.075 0.000 1.440 1 S HN 0.874 nan 8.310 nan 0.000 0.529 2 D N -0.461 119.964 120.400 0.042 0.000 2.756 2 D HA 0.801 5.441 4.640 0.000 0.000 0.226 2 D C -0.580 175.726 176.300 0.009 0.000 1.186 2 D CA 0.489 54.502 54.000 0.022 0.000 0.845 2 D CB 1.885 42.696 40.800 0.018 0.000 1.610 2 D HN 0.496 nan 8.370 nan 0.000 0.465 3 A N 0.326 123.148 122.820 0.004 0.000 2.602 3 A HA 0.760 5.080 4.320 0.000 0.000 0.290 3 A C 0.063 177.654 177.584 0.012 0.000 1.114 3 A CA -0.061 51.976 52.037 -0.000 0.000 0.683 3 A CB 0.926 19.918 19.000 -0.014 0.000 1.281 3 A HN 0.548 nan 8.150 nan 0.000 0.416 4 A N -0.508 122.323 122.820 0.018 0.000 1.898 4 A HA 0.464 4.785 4.320 0.000 0.000 0.214 4 A C 0.583 178.208 177.584 0.069 0.000 1.183 4 A CA 1.766 53.829 52.037 0.043 0.000 0.622 4 A CB -0.288 18.737 19.000 0.042 0.000 0.824 4 A HN 1.301 nan 8.150 nan 0.000 0.444 5 V N 0.431 120.371 119.914 0.045 0.000 2.638 5 V HA 0.414 4.534 4.120 0.000 0.000 0.306 5 V C -0.945 175.159 176.094 0.016 0.000 1.052 5 V CA -0.405 61.927 62.300 0.054 0.000 0.885 5 V CB 1.728 33.569 31.823 0.030 0.000 0.999 5 V HN 0.351 nan 8.190 nan 0.000 0.424 6 I N 4.388 124.970 120.570 0.020 0.000 2.336 6 I HA 0.483 4.653 4.170 0.000 0.000 0.292 6 I C -0.535 175.578 176.117 -0.007 0.000 0.991 6 I CA -0.729 60.568 61.300 -0.005 0.000 1.227 6 I CB 1.903 39.899 38.000 -0.007 0.000 1.366 6 I HN 0.272 nan 8.210 nan 0.000 0.466 7 V N 7.268 127.167 119.914 -0.024 0.000 2.398 7 V HA 0.308 4.428 4.120 0.000 0.000 0.286 7 V C -0.019 176.059 176.094 -0.028 0.000 1.026 7 V CA -0.716 61.569 62.300 -0.025 0.000 0.868 7 V CB 1.873 33.678 31.823 -0.030 0.000 0.982 7 V HN 0.372 nan 8.190 nan 0.000 0.443 8 V N 4.248 124.146 119.914 -0.026 0.000 2.364 8 V HA 0.861 4.981 4.120 0.000 0.000 0.272 8 V C 0.614 176.692 176.094 -0.026 0.000 1.036 8 V CA 0.334 62.619 62.300 -0.025 0.000 0.880 8 V CB 0.547 32.355 31.823 -0.026 0.000 0.991 8 V HN 1.293 nan 8.190 nan 0.000 0.460 9 G N 4.049 112.838 108.800 -0.019 0.000 3.069 9 G HA2 0.332 4.293 3.960 0.000 0.000 0.686 9 G HA3 0.332 4.293 3.960 0.000 0.000 0.686 9 G C -0.269 174.626 174.900 -0.008 0.000 1.161 9 G CA -0.284 44.808 45.100 -0.014 0.000 0.804 9 G HN 1.510 nan 8.290 nan 0.000 0.608 10 A N 1.608 124.427 122.820 -0.003 0.000 2.911 10 A HA 0.799 5.120 4.320 0.000 0.000 0.304 10 A C 1.307 178.898 177.584 0.012 0.000 1.144 10 A CA 1.070 53.108 52.037 0.002 0.000 0.988 10 A CB -0.172 18.824 19.000 -0.006 0.000 1.141 10 A HN 2.160 nan 8.150 nan 0.000 0.552 11 G N 0.278 109.088 108.800 0.017 0.000 2.516 11 G HA2 0.413 4.373 3.960 0.000 0.000 0.276 11 G HA3 0.413 4.373 3.960 0.000 0.000 0.276 11 G C -0.907 174.026 174.900 0.056 0.000 1.390 11 G CA -0.748 44.370 45.100 0.031 0.000 1.050 11 G HN 0.140 nan 8.290 nan 0.000 0.519 12 P HA -0.122 nan 4.420 nan 0.000 0.216 12 P C 1.920 179.294 177.300 0.124 0.000 1.150 12 P CA 2.141 65.311 63.100 0.117 0.000 0.837 12 P CB -0.037 31.745 31.700 0.135 0.000 0.786 13 A N 0.324 123.203 122.820 0.099 0.000 1.858 13 A HA -0.045 4.275 4.320 0.000 0.000 0.216 13 A C 2.627 180.258 177.584 0.078 0.000 1.190 13 A CA 2.133 54.228 52.037 0.096 0.000 0.617 13 A CB -1.916 17.125 19.000 0.069 0.000 0.827 13 A HN 0.281 nan 8.150 nan 0.000 0.443 14 G N -1.033 107.797 108.800 0.049 0.000 2.418 14 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 14 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 14 G C 1.526 176.452 174.900 0.043 0.000 1.158 14 G CA 1.275 46.392 45.100 0.029 0.000 0.771 14 G HN 0.341 nan 8.290 nan 0.000 0.545 15 M N -0.466 119.175 119.600 0.069 0.000 2.156 15 M HA 0.156 4.636 4.480 0.000 0.000 0.264 15 M C 2.501 178.902 176.300 0.169 0.000 1.067 15 M CA 0.969 56.323 55.300 0.090 0.000 1.131 15 M CB -0.853 31.805 32.600 0.095 0.000 1.368 15 M HN 0.305 nan 8.290 nan 0.000 0.416 16 M N 0.758 120.489 119.600 0.218 0.000 2.117 16 M HA -0.167 4.313 4.480 0.000 0.000 0.262 16 M C 1.941 178.393 176.300 0.253 0.000 1.065 16 M CA 1.503 56.999 55.300 0.328 0.000 1.114 16 M CB -0.658 32.113 32.600 0.285 0.000 1.361 16 M HN 0.180 nan 8.290 nan 0.000 0.408 17 L N 0.247 121.554 121.223 0.141 0.000 2.012 17 L HA -0.061 4.279 4.340 0.000 0.000 0.210 17 L C 2.334 179.220 176.870 0.026 0.000 1.073 17 L CA 2.317 57.201 54.840 0.073 0.000 0.748 17 L CB -1.386 40.686 42.059 0.022 0.000 0.891 17 L HN 0.348 nan 8.230 nan 0.000 0.431 18 A N -0.615 122.206 122.820 0.001 0.000 1.908 18 A HA -0.110 4.210 4.320 0.000 0.000 0.218 18 A C 2.352 179.844 177.584 -0.154 0.000 1.181 18 A CA 1.729 53.727 52.037 -0.065 0.000 0.627 18 A CB -1.602 17.357 19.000 -0.068 0.000 0.818 18 A HN 0.537 nan 8.150 nan 0.000 0.445 19 G N -0.622 108.041 108.800 -0.228 0.000 2.421 19 G HA2 -0.189 3.772 3.960 0.000 0.000 0.216 19 G HA3 -0.189 3.772 3.960 0.000 0.000 0.216 19 G C 1.397 176.071 174.900 -0.376 0.000 1.171 19 G CA 0.943 45.620 45.100 -0.705 0.000 0.775 19 G HN 0.484 nan 8.290 nan 0.000 0.543 20 E N 0.460 120.662 120.200 0.003 0.000 2.085 20 E HA -0.067 4.283 4.350 0.000 0.000 0.194 20 E C 2.678 179.309 176.600 0.052 0.000 0.994 20 E CA 0.545 57.023 56.400 0.131 0.000 0.801 20 E CB -0.320 29.504 29.700 0.206 0.000 0.743 20 E HN 0.443 nan 8.360 nan 0.000 0.453 21 L N 0.590 121.810 121.223 -0.006 0.000 2.056 21 L HA -0.154 4.186 4.340 0.000 0.000 0.207 21 L C 2.567 179.415 176.870 -0.036 0.000 1.078 21 L CA 0.864 55.694 54.840 -0.018 0.000 0.749 21 L CB -0.304 41.732 42.059 -0.039 0.000 0.901 21 L HN -0.011 nan 8.230 nan 0.000 0.433 22 R N 0.277 120.720 120.500 -0.095 0.000 2.105 22 R HA -0.111 4.229 4.340 0.000 0.000 0.239 22 R C 2.191 178.451 176.300 -0.067 0.000 1.135 22 R CA 1.282 57.316 56.100 -0.111 0.000 0.967 22 R CB -0.950 29.228 30.300 -0.202 0.000 0.861 22 R HN 0.391 nan 8.270 nan 0.000 0.442 23 L N 0.163 121.357 121.223 -0.049 0.000 2.131 23 L HA -0.083 4.257 4.340 0.000 0.000 0.210 23 L C 2.192 179.102 176.870 0.066 0.000 1.092 23 L CA 1.183 56.041 54.840 0.030 0.000 0.759 23 L CB -0.466 41.657 42.059 0.106 0.000 0.903 23 L HN 0.119 nan 8.230 nan 0.000 0.435 24 A N -0.476 122.386 122.820 0.070 0.000 2.238 24 A HA 0.270 4.590 4.320 0.000 0.000 0.208 24 A C 1.689 179.308 177.584 0.057 0.000 1.177 24 A CA 0.710 52.800 52.037 0.089 0.000 0.804 24 A CB -0.439 18.624 19.000 0.106 0.000 0.823 24 A HN 0.515 nan 8.150 nan 0.000 0.482 25 G N -1.410 107.408 108.800 0.028 0.000 2.137 25 G HA2 -0.176 3.784 3.960 0.000 0.000 0.237 25 G HA3 -0.176 3.784 3.960 0.000 0.000 0.237 25 G C 0.058 174.963 174.900 0.009 0.000 1.002 25 G CA 0.163 45.273 45.100 0.017 0.000 0.702 25 G HN 0.751 nan 8.290 nan 0.000 0.515 26 V N 1.069 120.984 119.914 0.001 0.000 2.465 26 V HA 0.421 4.541 4.120 0.000 0.000 0.279 26 V C 0.343 176.427 176.094 -0.016 0.000 1.045 26 V CA -0.998 61.301 62.300 -0.001 0.000 0.938 26 V CB 1.700 33.521 31.823 -0.003 0.000 0.986 26 V HN 0.292 nan 8.190 nan 0.000 0.467 27 E N 3.349 123.543 120.200 -0.009 0.000 2.265 27 E HA 0.254 4.604 4.350 0.000 0.000 0.272 27 E C -0.454 176.132 176.600 -0.023 0.000 1.067 27 E CA 0.144 56.533 56.400 -0.018 0.000 0.900 27 E CB 1.491 31.185 29.700 -0.010 0.000 1.017 27 E HN 0.399 nan 8.360 nan 0.000 0.431 28 V N 4.249 124.139 119.914 -0.041 0.000 2.588 28 V HA 0.356 4.476 4.120 0.000 0.000 0.304 28 V C -0.861 175.194 176.094 -0.064 0.000 1.042 28 V CA -0.760 61.512 62.300 -0.046 0.000 0.877 28 V CB 2.091 33.882 31.823 -0.053 0.000 0.996 28 V HN 0.366 nan 8.190 nan 0.000 0.425 29 V N 7.124 126.999 119.914 -0.065 0.000 2.417 29 V HA 0.526 4.646 4.120 0.000 0.000 0.291 29 V C -0.243 175.799 176.094 -0.088 0.000 1.024 29 V CA -0.474 61.769 62.300 -0.096 0.000 0.861 29 V CB 1.955 33.712 31.823 -0.110 0.000 0.985 29 V HN 0.692 nan 8.190 nan 0.000 0.436 30 V N 6.637 126.490 119.914 -0.102 0.000 2.398 30 V HA 0.475 4.595 4.120 0.000 0.000 0.286 30 V C -0.206 175.828 176.094 -0.099 0.000 1.026 30 V CA -0.528 61.723 62.300 -0.081 0.000 0.868 30 V CB 1.586 33.371 31.823 -0.064 0.000 0.982 30 V HN 0.615 nan 8.190 nan 0.000 0.443 31 L N 4.414 125.598 121.223 -0.064 0.000 2.280 31 L HA 0.652 4.992 4.340 0.000 0.000 0.287 31 L C -0.325 176.545 176.870 -0.000 0.000 1.023 31 L CA -0.344 54.473 54.840 -0.038 0.000 0.819 31 L CB 1.537 43.592 42.059 -0.007 0.000 1.212 31 L HN 0.652 nan 8.230 nan 0.000 0.420 32 E N 2.798 123.011 120.200 0.022 0.000 2.199 32 E HA 0.294 4.644 4.350 0.000 0.000 0.265 32 E C 0.697 177.333 176.600 0.060 0.000 0.882 32 E CA -0.745 55.672 56.400 0.028 0.000 0.759 32 E CB 1.310 31.016 29.700 0.010 0.000 1.148 32 E HN 0.518 nan 8.360 nan 0.000 0.412 33 R N 3.966 124.490 120.500 0.041 0.000 2.092 33 R HA 0.064 4.405 4.340 0.000 0.000 0.231 33 R C 0.322 176.641 176.300 0.032 0.000 1.119 33 R CA 0.491 56.615 56.100 0.039 0.000 0.970 33 R CB -0.563 29.749 30.300 0.020 0.000 0.864 33 R HN 0.366 nan 8.270 nan 0.000 0.440 34 L N 1.957 123.193 121.223 0.022 0.000 2.416 34 L HA 0.029 4.369 4.340 0.000 0.000 0.272 34 L C 1.429 178.310 176.870 0.019 0.000 1.161 34 L CA -0.458 54.389 54.840 0.013 0.000 0.845 34 L CB 1.727 43.787 42.059 0.001 0.000 1.119 34 L HN -0.061 nan 8.230 nan 0.000 0.464 35 V N 1.402 121.324 119.914 0.014 0.000 2.591 35 V HA -0.054 4.067 4.120 0.000 0.000 0.249 35 V C 0.788 176.884 176.094 0.003 0.000 1.053 35 V CA 1.282 63.592 62.300 0.017 0.000 1.068 35 V CB -0.316 31.514 31.823 0.011 0.000 0.689 35 V HN 0.801 nan 8.190 nan 0.000 0.462 36 E N -0.223 119.971 120.200 -0.010 0.000 2.292 36 E HA 0.349 4.699 4.350 0.000 0.000 0.272 36 E C -0.443 176.136 176.600 -0.035 0.000 0.881 36 E CA -0.834 55.552 56.400 -0.024 0.000 0.754 36 E CB 1.733 31.416 29.700 -0.028 0.000 1.201 36 E HN 0.175 nan 8.360 nan 0.000 0.425 37 R N 1.660 122.133 120.500 -0.045 0.000 2.538 37 R HA -0.038 4.302 4.340 0.000 0.000 0.282 37 R C 1.199 177.451 176.300 -0.079 0.000 1.009 37 R CA 0.800 56.865 56.100 -0.057 0.000 1.063 37 R CB 0.596 30.858 30.300 -0.064 0.000 0.945 37 R HN 0.653 nan 8.270 nan 0.000 0.414 38 T N 2.544 117.046 114.554 -0.086 0.000 2.822 38 T HA -0.121 4.229 4.350 0.000 0.000 0.270 38 T C 1.129 175.712 174.700 -0.196 0.000 1.064 38 T CA 1.815 63.840 62.100 -0.124 0.000 1.131 38 T CB -0.369 68.430 68.868 -0.115 0.000 0.858 38 T HN 0.941 nan 8.240 nan 0.000 0.483 39 G N 0.681 109.373 108.800 -0.181 0.000 2.225 39 G HA2 -0.227 3.733 3.960 0.000 0.000 0.264 39 G HA3 -0.227 3.733 3.960 0.000 0.000 0.264 39 G C 0.345 175.058 174.900 -0.311 0.000 1.060 39 G CA 0.716 45.695 45.100 -0.202 0.000 0.833 39 G HN 0.600 nan 8.290 nan 0.000 0.498 40 E N -0.054 119.939 120.200 -0.345 0.000 2.035 40 E HA 0.251 4.601 4.350 0.000 0.000 0.191 40 E C 1.436 177.831 176.600 -0.342 0.000 0.966 40 E CA 0.550 56.597 56.400 -0.589 0.000 0.823 40 E CB 0.027 29.415 29.700 -0.519 0.000 0.791 40 E HN 0.659 nan 8.360 nan 0.000 0.459 41 S N 1.076 116.698 115.700 -0.129 0.000 3.578 41 S HA -0.201 4.269 4.470 0.000 0.000 0.449 41 S C 0.828 175.496 174.600 0.114 0.000 0.853 41 S CA 0.689 58.894 58.200 0.008 0.000 1.348 41 S CB -1.233 61.977 63.200 0.016 0.000 0.907 41 S HN 0.348 nan 8.310 nan 0.000 0.627 42 R N 1.367 121.972 120.500 0.175 0.000 2.070 42 R HA 0.030 4.370 4.340 0.000 0.000 0.233 42 R C 1.307 177.689 176.300 0.137 0.000 1.137 42 R CA 1.130 57.389 56.100 0.264 0.000 0.945 42 R CB -0.739 29.700 30.300 0.232 0.000 0.845 42 R HN 0.542 nan 8.270 nan 0.000 0.430 43 G N 1.639 110.503 108.800 0.108 0.000 2.483 43 G HA2 0.445 4.405 3.960 0.000 0.000 0.248 43 G HA3 0.445 4.405 3.960 0.000 0.000 0.248 43 G C -0.780 174.187 174.900 0.112 0.000 1.248 43 G CA -0.597 44.563 45.100 0.101 0.000 0.838 43 G HN 0.088 nan 8.290 nan 0.000 0.566 44 L N 1.533 122.815 121.223 0.098 0.000 2.381 44 L HA 0.653 4.993 4.340 0.000 0.000 0.274 44 L C 0.792 177.703 176.870 0.068 0.000 0.988 44 L CA -0.078 54.814 54.840 0.087 0.000 0.824 44 L CB 1.634 43.730 42.059 0.062 0.000 1.263 44 L HN 1.124 nan 8.230 nan 0.000 0.410 45 G N 2.324 111.154 108.800 0.051 0.000 2.796 45 G HA2 -0.180 3.780 3.960 0.000 0.000 0.226 45 G HA3 -0.180 3.780 3.960 0.000 0.000 0.226 45 G C -1.043 173.871 174.900 0.023 0.000 1.381 45 G CA 0.045 45.083 45.100 -0.103 0.000 0.867 45 G HN 0.864 nan 8.290 nan 0.000 0.552 46 F N -2.908 117.045 119.950 0.005 0.000 2.741 46 F HA 0.820 5.347 4.527 0.000 0.000 0.313 46 F C 0.381 176.135 175.800 -0.076 0.000 1.153 46 F CA -0.587 57.390 58.000 -0.038 0.000 0.931 46 F CB 0.636 39.587 39.000 -0.080 0.000 1.335 46 F HN 1.122 nan 8.300 nan 0.000 0.460 47 T N -1.202 113.455 114.554 0.171 0.000 2.788 47 T HA 0.527 4.877 4.350 0.000 0.000 0.287 47 T C 1.133 175.839 174.700 0.010 0.000 1.007 47 T CA -0.088 62.044 62.100 0.052 0.000 1.005 47 T CB 1.251 70.129 68.868 0.016 0.000 1.012 47 T HN 1.135 nan 8.240 nan 0.000 0.530 48 A N 0.822 123.606 122.820 -0.060 0.000 1.908 48 A HA -0.088 4.233 4.320 0.000 0.000 0.218 48 A C 2.423 179.906 177.584 -0.169 0.000 1.181 48 A CA 1.825 53.770 52.037 -0.153 0.000 0.627 48 A CB -0.882 18.003 19.000 -0.192 0.000 0.818 48 A HN 0.804 nan 8.150 nan 0.000 0.445 49 R N -0.258 120.154 120.500 -0.145 0.000 2.075 49 R HA -0.056 4.284 4.340 0.000 0.000 0.232 49 R C 2.090 178.258 176.300 -0.221 0.000 1.126 49 R CA 2.351 58.353 56.100 -0.164 0.000 0.963 49 R CB -1.431 28.792 30.300 -0.128 0.000 0.858 49 R HN 0.445 nan 8.270 nan 0.000 0.435 50 T N 0.877 115.280 114.554 -0.252 0.000 2.720 50 T HA -0.199 4.151 4.350 0.000 0.000 0.268 50 T C 1.724 175.944 174.700 -0.800 0.000 1.037 50 T CA 1.722 63.487 62.100 -0.558 0.000 1.144 50 T CB -0.258 68.280 68.868 -0.549 0.000 0.864 50 T HN 0.306 nan 8.240 nan 0.000 0.444 51 M N 0.997 120.393 119.600 -0.340 0.000 2.108 51 M HA -0.168 4.312 4.480 0.000 0.000 0.261 51 M C 2.180 178.348 176.300 -0.220 0.000 1.066 51 M CA 1.767 56.958 55.300 -0.183 0.000 1.107 51 M CB -0.146 32.447 32.600 -0.012 0.000 1.356 51 M HN 0.237 nan 8.290 nan 0.000 0.406 52 E N -0.501 119.567 120.200 -0.221 0.000 2.077 52 E HA -0.192 4.158 4.350 0.000 0.000 0.193 52 E C 1.974 178.496 176.600 -0.130 0.000 0.989 52 E CA 1.782 58.086 56.400 -0.161 0.000 0.800 52 E CB -0.391 29.212 29.700 -0.162 0.000 0.746 52 E HN 0.662 nan 8.360 nan 0.000 0.452 53 V N -1.280 118.520 119.914 -0.190 0.000 2.626 53 V HA -0.176 3.944 4.120 0.000 0.000 0.252 53 V C 1.990 178.073 176.094 -0.019 0.000 1.067 53 V CA 1.288 63.524 62.300 -0.106 0.000 1.081 53 V CB -0.911 30.855 31.823 -0.095 0.000 0.686 53 V HN 0.185 nan 8.190 nan 0.000 0.468 54 F N 0.844 120.650 119.950 -0.241 0.000 2.113 54 F HA -0.105 4.422 4.527 0.000 0.000 0.297 54 F C 2.610 178.251 175.800 -0.266 0.000 1.103 54 F CA 1.471 59.276 58.000 -0.324 0.000 1.248 54 F CB -0.349 38.406 39.000 -0.408 0.000 0.999 54 F HN 0.253 nan 8.300 nan 0.000 0.475 55 D N 0.736 121.151 120.400 0.026 0.000 2.123 55 D HA -0.222 4.419 4.640 0.000 0.000 0.196 55 D C 2.065 178.387 176.300 0.036 0.000 0.992 55 D CA 1.409 55.415 54.000 0.011 0.000 0.833 55 D CB -0.288 40.519 40.800 0.012 0.000 0.954 55 D HN 0.431 nan 8.370 nan 0.000 0.455 56 Q N -1.019 118.807 119.800 0.043 0.000 2.515 56 Q HA -0.036 4.304 4.340 0.000 0.000 0.212 56 Q C 0.885 176.962 176.000 0.129 0.000 0.970 56 Q CA 0.592 56.473 55.803 0.130 0.000 0.941 56 Q CB 0.207 28.988 28.738 0.072 0.000 0.998 56 Q HN 0.011 nan 8.270 nan 0.000 0.518 57 R N -0.240 120.199 120.500 -0.100 0.000 2.437 57 R HA 0.195 4.535 4.340 0.000 0.000 0.257 57 R C 0.806 176.746 176.300 -0.600 0.000 0.927 57 R CA 0.445 56.412 56.100 -0.222 0.000 1.078 57 R CB 0.687 30.875 30.300 -0.186 0.000 1.161 57 R HN 0.453 nan 8.270 nan 0.000 0.529 58 G N 1.673 109.987 108.800 -0.810 0.000 2.179 58 G HA2 -0.276 3.684 3.960 0.000 0.000 0.257 58 G HA3 -0.276 3.684 3.960 0.000 0.000 0.257 58 G C 0.841 175.531 174.900 -0.350 0.000 1.010 58 G CA 0.503 45.198 45.100 -0.676 0.000 0.736 58 G HN 0.384 nan 8.290 nan 0.000 0.513 59 I N -0.218 120.110 120.570 -0.403 0.000 2.617 59 I HA -0.002 4.168 4.170 0.000 0.000 0.256 59 I C 2.742 178.755 176.117 -0.173 0.000 1.167 59 I CA 0.634 61.665 61.300 -0.447 0.000 1.469 59 I CB -0.170 37.368 38.000 -0.769 0.000 1.098 59 I HN 0.293 nan 8.210 nan 0.000 0.436 60 L N 0.846 122.024 121.223 -0.075 0.000 2.083 60 L HA -0.145 4.195 4.340 0.000 0.000 0.209 60 L C -0.287 176.639 176.870 0.093 0.000 1.083 60 L CA 1.394 56.271 54.840 0.061 0.000 0.752 60 L CB -1.993 40.087 42.059 0.035 0.000 0.899 60 L HN 0.203 nan 8.230 nan 0.000 0.433 61 P HA -0.175 nan 4.420 nan 0.000 0.218 61 P C 1.357 178.622 177.300 -0.058 0.000 1.146 61 P CA 1.260 64.362 63.100 0.004 0.000 0.813 61 P CB -0.070 31.628 31.700 -0.004 0.000 0.778 62 R N -1.690 118.715 120.500 -0.158 0.000 2.127 62 R HA -0.121 4.219 4.340 0.000 0.000 0.238 62 R C 1.821 177.677 176.300 -0.740 0.000 1.134 62 R CA 1.275 57.102 56.100 -0.455 0.000 0.975 62 R CB -0.779 29.140 30.300 -0.636 0.000 0.865 62 R HN 0.262 nan 8.270 nan 0.000 0.447 63 F N 0.069 119.734 119.950 -0.474 0.000 2.615 63 F HA 0.143 4.670 4.527 0.000 0.000 0.297 63 F C 1.889 177.649 175.800 -0.068 0.000 1.124 63 F CA 0.780 58.625 58.000 -0.259 0.000 1.451 63 F CB -0.246 38.722 39.000 -0.053 0.000 1.103 63 F HN 0.202 nan 8.300 nan 0.000 0.569 64 G N 0.294 109.147 108.800 0.089 0.000 2.552 64 G HA2 -0.325 3.636 3.960 0.000 0.000 0.265 64 G HA3 -0.325 3.636 3.960 0.000 0.000 0.265 64 G C -0.100 174.865 174.900 0.110 0.000 1.234 64 G CA -0.258 44.890 45.100 0.079 0.000 0.944 64 G HN 0.253 nan 8.290 nan 0.000 0.568 65 E N -0.320 119.934 120.200 0.090 0.000 2.259 65 E HA 0.453 4.803 4.350 0.000 0.000 0.281 65 E C -0.434 176.223 176.600 0.095 0.000 1.037 65 E CA -0.327 56.123 56.400 0.083 0.000 0.854 65 E CB 0.947 30.684 29.700 0.062 0.000 1.051 65 E HN 0.419 nan 8.360 nan 0.000 0.409 66 V N 4.886 124.851 119.914 0.085 0.000 2.487 66 V HA 0.134 4.254 4.120 0.000 0.000 0.298 66 V C 0.021 176.131 176.094 0.026 0.000 1.028 66 V CA -0.752 61.584 62.300 0.059 0.000 0.860 66 V CB 1.625 33.471 31.823 0.039 0.000 0.991 66 V HN 0.699 nan 8.190 nan 0.000 0.427 67 E N 3.325 123.531 120.200 0.010 0.000 2.366 67 E HA 0.298 4.648 4.350 0.000 0.000 0.266 67 E C -0.024 176.560 176.600 -0.026 0.000 1.015 67 E CA -0.184 56.219 56.400 0.006 0.000 0.906 67 E CB 0.833 30.536 29.700 0.004 0.000 0.979 67 E HN 0.864 nan 8.360 nan 0.000 0.443 68 T N 0.916 115.481 114.554 0.018 0.000 2.949 68 T HA 0.612 4.962 4.350 0.000 0.000 0.287 68 T C -0.292 174.437 174.700 0.048 0.000 1.034 68 T CA -0.902 61.210 62.100 0.020 0.000 1.018 68 T CB 1.792 70.728 68.868 0.114 0.000 1.135 68 T HN 0.278 nan 8.240 nan 0.000 0.532 69 S N -0.741 114.987 115.700 0.047 0.000 2.537 69 S HA 0.517 4.987 4.470 0.000 0.000 0.270 69 S C 0.544 175.189 174.600 0.075 0.000 1.142 69 S CA -0.132 58.098 58.200 0.049 0.000 0.870 69 S CB 1.459 64.660 63.200 0.002 0.000 1.112 69 S HN 1.122 nan 8.310 nan 0.000 0.466 70 T N 0.529 115.133 114.554 0.084 0.000 3.069 70 T HA 0.292 4.643 4.350 0.000 0.000 0.252 70 T C 0.330 175.030 174.700 -0.001 0.000 1.053 70 T CA 0.005 62.171 62.100 0.109 0.000 0.964 70 T CB -0.177 68.775 68.868 0.139 0.000 1.005 70 T HN 0.586 nan 8.240 nan 0.000 0.532 71 Q N 1.556 121.320 119.800 -0.060 0.000 2.307 71 Q HA 0.530 4.870 4.340 0.000 0.000 0.261 71 Q C 0.266 176.075 176.000 -0.319 0.000 1.051 71 Q CA -0.398 55.325 55.803 -0.133 0.000 0.911 71 Q CB 1.043 29.741 28.738 -0.066 0.000 1.227 71 Q HN 0.613 nan 8.270 nan 0.000 0.418 72 G N 1.723 110.148 108.800 -0.626 0.000 3.108 72 G HA2 0.649 4.609 3.960 0.000 0.000 0.268 72 G HA3 0.649 4.609 3.960 0.000 0.000 0.268 72 G C -1.241 173.384 174.900 -0.458 0.000 1.361 72 G CA -0.485 43.956 45.100 -1.098 0.000 1.047 72 G HN 0.806 nan 8.290 nan 0.000 0.540 73 H N -3.188 115.659 119.070 -0.371 0.000 2.981 73 H HA 0.701 5.257 4.556 0.000 0.000 0.327 73 H C -2.285 173.158 175.328 0.191 0.000 1.342 73 H CA -1.170 54.856 56.048 -0.037 0.000 1.123 73 H CB 1.966 31.710 29.762 -0.031 0.000 1.851 73 H HN 0.541 nan 8.280 nan 0.000 0.531 74 F N 1.630 121.574 119.950 -0.009 0.000 2.553 74 F HA 0.502 5.029 4.527 0.000 0.000 0.335 74 F C 0.879 176.638 175.800 -0.069 0.000 1.148 74 F CA 0.432 58.395 58.000 -0.062 0.000 0.963 74 F CB 1.483 40.490 39.000 0.011 0.000 1.217 74 F HN 1.202 nan 8.300 nan 0.000 0.441 75 G N 3.347 111.798 108.800 -0.583 0.000 2.225 75 G HA2 0.014 3.974 3.960 0.000 0.000 0.267 75 G HA3 0.014 3.974 3.960 0.000 0.000 0.267 75 G C 1.123 175.335 174.900 -1.146 0.000 1.024 75 G CA 0.663 45.224 45.100 -0.898 0.000 0.784 75 G HN 2.225 nan 8.290 nan 0.000 0.507 76 G N -1.883 106.499 108.800 -0.696 0.000 2.176 76 G HA2 -0.215 3.745 3.960 0.000 0.000 0.253 76 G HA3 -0.215 3.745 3.960 0.000 0.000 0.253 76 G C 0.424 175.265 174.900 -0.098 0.000 0.979 76 G CA 0.416 45.257 45.100 -0.433 0.000 0.641 76 G HN 1.418 nan 8.290 nan 0.000 0.530 77 L N 2.633 123.848 121.223 -0.013 0.000 2.278 77 L HA 0.378 4.718 4.340 0.000 0.000 0.287 77 L C -1.693 175.245 176.870 0.114 0.000 1.072 77 L CA -2.036 52.839 54.840 0.057 0.000 0.819 77 L CB 0.756 42.866 42.059 0.085 0.000 1.176 77 L HN -0.045 nan 8.230 nan 0.000 0.435 78 P HA 0.255 nan 4.420 nan 0.000 0.271 78 P C -0.672 176.669 177.300 0.069 0.000 1.216 78 P CA 0.154 63.292 63.100 0.065 0.000 0.776 78 P CB 1.079 32.796 31.700 0.029 0.000 0.881 79 I N 1.470 122.070 120.570 0.049 0.000 2.569 79 I HA 0.213 4.383 4.170 0.000 0.000 0.290 79 I C -0.128 176.030 176.117 0.067 0.000 1.088 79 I CA -0.873 60.498 61.300 0.117 0.000 1.047 79 I CB 2.285 40.479 38.000 0.322 0.000 1.237 79 I HN 0.184 nan 8.210 nan 0.000 0.421 80 D N 5.335 125.804 120.400 0.115 0.000 2.359 80 D HA 0.136 4.776 4.640 0.000 0.000 0.250 80 D C 0.543 177.008 176.300 0.276 0.000 1.264 80 D CA 0.072 54.142 54.000 0.117 0.000 0.911 80 D CB 0.455 41.304 40.800 0.081 0.000 1.056 80 D HN 0.226 nan 8.370 nan 0.000 0.499 81 F N 2.264 122.236 119.950 0.037 0.000 2.699 81 F HA 0.154 4.681 4.527 0.000 0.000 0.298 81 F C 2.425 178.252 175.800 0.045 0.000 1.154 81 F CA 0.308 58.326 58.000 0.030 0.000 1.457 81 F CB -0.736 38.277 39.000 0.022 0.000 1.106 81 F HN 0.549 nan 8.300 nan 0.000 0.585 82 G N 0.190 109.130 108.800 0.234 0.000 2.535 82 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 82 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 82 G C 1.728 176.698 174.900 0.116 0.000 1.122 82 G CA 1.123 46.323 45.100 0.166 0.000 0.769 82 G HN 0.364 nan 8.290 nan 0.000 0.549 83 V N -1.953 118.024 119.914 0.104 0.000 2.970 83 V HA 0.248 4.368 4.120 0.000 0.000 0.260 83 V C 0.901 177.017 176.094 0.038 0.000 1.100 83 V CA 0.288 62.625 62.300 0.061 0.000 1.122 83 V CB -0.456 31.400 31.823 0.055 0.000 0.721 83 V HN 0.142 nan 8.190 nan 0.000 0.483 84 L N 1.645 122.890 121.223 0.037 0.000 2.280 84 L HA 0.515 4.855 4.340 0.000 0.000 0.287 84 L C 0.099 176.994 176.870 0.041 0.000 1.023 84 L CA -0.852 53.986 54.840 -0.004 0.000 0.819 84 L CB 1.099 43.106 42.059 -0.088 0.000 1.212 84 L HN 0.361 nan 8.230 nan 0.000 0.420 85 E N 3.871 124.095 120.200 0.040 0.000 2.529 85 E HA 0.295 4.645 4.350 0.000 0.000 0.259 85 E C 1.122 177.772 176.600 0.084 0.000 0.966 85 E CA 1.290 57.745 56.400 0.091 0.000 0.937 85 E CB 0.281 30.013 29.700 0.054 0.000 0.923 85 E HN 0.960 nan 8.360 nan 0.000 0.468 86 G N 2.865 111.789 108.800 0.207 0.000 2.234 86 G HA2 -0.399 3.561 3.960 0.000 0.000 0.260 86 G HA3 -0.399 3.561 3.960 0.000 0.000 0.260 86 G C 0.966 175.711 174.900 -0.259 0.000 0.987 86 G CA 0.559 45.631 45.100 -0.046 0.000 0.625 86 G HN 0.786 nan 8.290 nan 0.000 0.532 87 A N 1.154 123.950 122.820 -0.039 0.000 2.067 87 A HA 0.175 4.495 4.320 0.000 0.000 0.219 87 A C 2.018 179.607 177.584 0.009 0.000 1.158 87 A CA 1.818 53.835 52.037 -0.034 0.000 0.661 87 A CB -0.952 18.072 19.000 0.041 0.000 0.801 87 A HN 1.399 nan 8.150 nan 0.000 0.452 88 W N 0.314 121.638 121.300 0.040 0.000 2.389 88 W HA -0.215 4.445 4.660 0.000 0.000 0.267 88 W C 0.859 177.383 176.519 0.009 0.000 1.219 88 W CA 1.109 58.471 57.345 0.028 0.000 1.189 88 W CB -0.912 28.556 29.460 0.014 0.000 1.129 88 W HN 0.491 nan 8.180 nan 0.000 0.581 89 Q N 1.051 120.400 119.800 -0.752 0.000 2.482 89 Q HA 0.198 4.538 4.340 0.000 0.000 0.209 89 Q C 1.219 177.021 176.000 -0.331 0.000 0.961 89 Q CA 0.340 55.666 55.803 -0.795 0.000 0.945 89 Q CB -0.102 28.036 28.738 -1.000 0.000 1.012 89 Q HN 0.192 nan 8.270 nan 0.000 0.515 90 A N 1.256 123.962 122.820 -0.189 0.000 2.548 90 A HA 0.366 4.687 4.320 0.000 0.000 0.247 90 A C 0.157 177.602 177.584 -0.232 0.000 1.067 90 A CA 0.041 51.989 52.037 -0.149 0.000 0.757 90 A CB 0.098 19.074 19.000 -0.040 0.000 0.996 90 A HN 0.335 nan 8.150 nan 0.000 0.504 91 A N 2.656 125.183 122.820 -0.490 0.000 2.409 91 A HA 0.347 4.667 4.320 0.000 0.000 0.267 91 A C 1.208 178.558 177.584 -0.390 0.000 1.127 91 A CA -0.058 51.597 52.037 -0.636 0.000 0.795 91 A CB 0.246 18.309 19.000 -1.563 0.000 1.061 91 A HN 1.003 nan 8.150 nan 0.000 0.502 92 K N 1.159 121.430 120.400 -0.215 0.000 2.076 92 K HA -0.082 4.238 4.320 0.000 0.000 0.204 92 K C 1.337 177.890 176.600 -0.079 0.000 1.051 92 K CA 1.852 58.073 56.287 -0.110 0.000 0.949 92 K CB 0.156 32.623 32.500 -0.056 0.000 0.726 92 K HN 0.859 nan 8.250 nan 0.000 0.443 93 T N -2.827 111.682 114.554 -0.076 0.000 3.016 93 T HA 0.204 4.554 4.350 0.000 0.000 0.271 93 T C 0.220 174.933 174.700 0.022 0.000 0.968 93 T CA -0.481 61.610 62.100 -0.014 0.000 0.891 93 T CB 0.288 69.159 68.868 0.005 0.000 1.149 93 T HN -0.162 nan 8.240 nan 0.000 0.524 94 V N 4.395 124.316 119.914 0.012 0.000 2.509 94 V HA 0.217 4.337 4.120 0.000 0.000 0.297 94 V C -2.225 173.976 176.094 0.179 0.000 1.014 94 V CA -1.272 61.116 62.300 0.146 0.000 1.127 94 V CB -0.013 31.986 31.823 0.293 0.000 0.925 94 V HN 0.306 nan 8.190 nan 0.000 0.480 95 P HA 0.062 nan 4.420 nan 0.000 0.269 95 P C 0.672 178.068 177.300 0.160 0.000 1.209 95 P CA -0.086 63.087 63.100 0.123 0.000 0.776 95 P CB 0.564 32.307 31.700 0.072 0.000 0.876 96 Q N 2.435 122.318 119.800 0.138 0.000 2.135 96 Q HA -0.210 4.131 4.340 0.000 0.000 0.204 96 Q C 1.691 177.748 176.000 0.094 0.000 0.981 96 Q CA 2.435 58.326 55.803 0.147 0.000 0.856 96 Q CB -0.381 28.427 28.738 0.117 0.000 0.902 96 Q HN 0.556 nan 8.270 nan 0.000 0.425 97 S N -0.885 114.832 115.700 0.030 0.000 2.400 97 S HA -0.127 4.343 4.470 0.000 0.000 0.232 97 S C 1.904 176.472 174.600 -0.054 0.000 1.025 97 S CA 1.296 59.479 58.200 -0.029 0.000 0.993 97 S CB -0.584 62.572 63.200 -0.074 0.000 0.808 97 S HN 0.261 nan 8.310 nan 0.000 0.478 98 V N 2.127 122.028 119.914 -0.022 0.000 2.323 98 V HA -0.141 3.979 4.120 0.000 0.000 0.244 98 V C 2.904 178.924 176.094 -0.124 0.000 1.041 98 V CA 2.226 64.460 62.300 -0.109 0.000 1.025 98 V CB -1.502 30.337 31.823 0.026 0.000 0.656 98 V HN 0.572 nan 8.190 nan 0.000 0.451 99 T N -0.220 114.448 114.554 0.190 0.000 2.684 99 T HA -0.248 4.102 4.350 0.000 0.000 0.267 99 T C 1.798 176.554 174.700 0.094 0.000 1.036 99 T CA 1.915 64.215 62.100 0.333 0.000 1.148 99 T CB -0.291 68.863 68.868 0.477 0.000 0.863 99 T HN 0.587 nan 8.240 nan 0.000 0.436 100 E N 0.421 120.654 120.200 0.054 0.000 2.085 100 E HA -0.128 4.222 4.350 0.000 0.000 0.194 100 E C 2.491 179.055 176.600 -0.061 0.000 0.994 100 E CA 1.490 57.899 56.400 0.015 0.000 0.801 100 E CB -0.288 29.418 29.700 0.009 0.000 0.743 100 E HN 0.415 nan 8.360 nan 0.000 0.453 101 T N 0.498 114.952 114.554 -0.166 0.000 2.684 101 T HA -0.164 4.186 4.350 0.000 0.000 0.267 101 T C 1.614 176.163 174.700 -0.253 0.000 1.036 101 T CA 1.308 63.261 62.100 -0.245 0.000 1.148 101 T CB -0.303 68.343 68.868 -0.371 0.000 0.863 101 T HN 0.254 nan 8.240 nan 0.000 0.436 102 H N 0.950 119.873 119.070 -0.244 0.000 2.357 102 H HA 0.108 4.664 4.556 0.000 0.000 0.301 102 H C 2.396 177.632 175.328 -0.152 0.000 1.082 102 H CA 0.865 56.713 56.048 -0.333 0.000 1.342 102 H CB -0.647 28.628 29.762 -0.812 0.000 1.389 102 H HN 0.302 nan 8.280 nan 0.000 0.511 103 L N 0.417 121.645 121.223 0.008 0.000 2.046 103 L HA -0.177 4.163 4.340 0.000 0.000 0.208 103 L C 2.618 179.598 176.870 0.183 0.000 1.077 103 L CA 1.459 56.381 54.840 0.136 0.000 0.747 103 L CB -0.392 41.737 42.059 0.116 0.000 0.896 103 L HN 0.281 nan 8.230 nan 0.000 0.432 104 E N 0.066 120.308 120.200 0.071 0.000 2.077 104 E HA -0.259 4.091 4.350 0.000 0.000 0.193 104 E C 2.223 178.845 176.600 0.037 0.000 0.989 104 E CA 1.245 57.666 56.400 0.036 0.000 0.800 104 E CB 0.064 29.760 29.700 -0.007 0.000 0.746 104 E HN 0.493 nan 8.360 nan 0.000 0.452 105 Q N -0.604 119.223 119.800 0.044 0.000 2.084 105 Q HA -0.188 4.153 4.340 0.000 0.000 0.202 105 Q C 1.777 177.838 176.000 0.101 0.000 0.978 105 Q CA 1.540 57.373 55.803 0.049 0.000 0.844 105 Q CB -0.322 28.440 28.738 0.041 0.000 0.898 105 Q HN 0.449 nan 8.270 nan 0.000 0.426 106 W N 1.297 122.564 121.300 -0.055 0.000 2.333 106 W HA -0.232 4.428 4.660 0.000 0.000 0.316 106 W C 2.286 178.783 176.519 -0.037 0.000 1.215 106 W CA 2.077 59.390 57.345 -0.053 0.000 1.278 106 W CB -0.679 28.737 29.460 -0.073 0.000 1.154 106 W HN 0.094 nan 8.180 nan 0.000 0.486 107 A N -0.249 122.474 122.820 -0.163 0.000 1.877 107 A HA -0.210 4.110 4.320 0.000 0.000 0.216 107 A C 1.954 179.391 177.584 -0.245 0.000 1.186 107 A CA 2.722 54.538 52.037 -0.369 0.000 0.620 107 A CB -1.428 17.471 19.000 -0.168 0.000 0.822 107 A HN 0.348 nan 8.150 nan 0.000 0.443 108 T N -0.190 114.289 114.554 -0.125 0.000 2.708 108 T HA -0.059 4.292 4.350 0.000 0.000 0.266 108 T C 1.998 176.638 174.700 -0.099 0.000 1.037 108 T CA 1.514 63.558 62.100 -0.094 0.000 1.146 108 T CB -0.764 68.073 68.868 -0.052 0.000 0.865 108 T HN 0.605 nan 8.240 nan 0.000 0.435 109 G N 1.374 110.121 108.800 -0.088 0.000 2.469 109 G HA2 -0.160 3.800 3.960 0.000 0.000 0.220 109 G HA3 -0.160 3.800 3.960 0.000 0.000 0.220 109 G C 1.358 176.190 174.900 -0.113 0.000 1.136 109 G CA 0.517 45.574 45.100 -0.072 0.000 0.759 109 G HN 0.476 nan 8.290 nan 0.000 0.562 110 L N 0.194 121.289 121.223 -0.214 0.000 2.552 110 L HA 0.225 4.565 4.340 0.000 0.000 0.227 110 L C 2.014 178.786 176.870 -0.164 0.000 1.146 110 L CA 0.546 55.248 54.840 -0.231 0.000 0.858 110 L CB 0.016 41.820 42.059 -0.425 0.000 0.969 110 L HN 0.430 nan 8.230 nan 0.000 0.451 111 G N -0.435 108.283 108.800 -0.136 0.000 2.148 111 G HA2 -0.197 3.763 3.960 0.000 0.000 0.203 111 G HA3 -0.197 3.763 3.960 0.000 0.000 0.203 111 G C 0.348 175.188 174.900 -0.101 0.000 0.993 111 G CA -0.182 44.860 45.100 -0.097 0.000 0.661 111 G HN 0.441 nan 8.290 nan 0.000 0.518 112 A N 0.206 122.948 122.820 -0.130 0.000 2.511 112 A HA 0.471 4.791 4.320 0.000 0.000 0.242 112 A C 0.370 177.897 177.584 -0.096 0.000 1.069 112 A CA 0.784 52.752 52.037 -0.115 0.000 0.763 112 A CB 0.398 19.320 19.000 -0.131 0.000 1.001 112 A HN 0.445 nan 8.150 nan 0.000 0.498 113 D N 2.638 122.981 120.400 -0.095 0.000 2.479 113 D HA 0.392 5.032 4.640 0.000 0.000 0.218 113 D C -0.571 175.650 176.300 -0.130 0.000 1.131 113 D CA -0.048 53.888 54.000 -0.106 0.000 0.916 113 D CB -0.112 40.621 40.800 -0.112 0.000 1.022 113 D HN 0.368 nan 8.370 nan 0.000 0.515 114 I N 3.784 124.286 120.570 -0.113 0.000 2.315 114 I HA 0.324 4.494 4.170 0.000 0.000 0.291 114 I C 0.642 176.675 176.117 -0.140 0.000 1.006 114 I CA -0.620 60.614 61.300 -0.111 0.000 1.265 114 I CB 1.067 39.024 38.000 -0.072 0.000 1.387 114 I HN 0.002 nan 8.210 nan 0.000 0.475 115 R N 6.750 127.129 120.500 -0.203 0.000 2.312 115 R HA 0.448 4.788 4.340 0.000 0.000 0.310 115 R C -0.527 175.709 176.300 -0.107 0.000 1.064 115 R CA -0.759 55.147 56.100 -0.324 0.000 0.983 115 R CB 1.178 30.982 30.300 -0.826 0.000 1.139 115 R HN 0.547 nan 8.270 nan 0.000 0.536 116 R N 0.164 120.689 120.500 0.041 0.000 2.615 116 R HA 0.230 4.570 4.340 0.000 0.000 0.270 116 R C 0.910 177.361 176.300 0.251 0.000 1.081 116 R CA 0.516 56.684 56.100 0.113 0.000 1.154 116 R CB 0.781 31.112 30.300 0.053 0.000 1.063 116 R HN 0.855 nan 8.270 nan 0.000 0.519 117 G N 1.328 110.220 108.800 0.154 0.000 2.160 117 G HA2 -0.263 3.697 3.960 0.000 0.000 0.251 117 G HA3 -0.263 3.697 3.960 0.000 0.000 0.251 117 G C -0.630 174.290 174.900 0.033 0.000 1.008 117 G CA 0.246 45.398 45.100 0.087 0.000 0.724 117 G HN 0.660 nan 8.290 nan 0.000 0.514 118 H N 0.038 119.127 119.070 0.032 0.000 2.638 118 H HA 0.561 5.117 4.556 0.000 0.000 0.317 118 H C -0.135 175.198 175.328 0.009 0.000 1.006 118 H CA -0.492 55.583 56.048 0.044 0.000 1.222 118 H CB 1.286 31.082 29.762 0.056 0.000 1.419 118 H HN 0.398 nan 8.280 nan 0.000 0.489 119 E N 3.405 123.640 120.200 0.059 0.000 2.134 119 E HA 0.287 4.637 4.350 0.000 0.000 0.278 119 E C -0.672 175.928 176.600 -0.000 0.000 0.959 119 E CA -0.813 55.601 56.400 0.023 0.000 0.783 119 E CB 0.946 30.648 29.700 0.002 0.000 1.095 119 E HN 0.322 nan 8.360 nan 0.000 0.399 120 V N 7.324 127.236 119.914 -0.003 0.000 2.421 120 V HA -0.025 4.095 4.120 0.000 0.000 0.271 120 V C 1.177 177.256 176.094 -0.025 0.000 1.031 120 V CA 0.407 62.693 62.300 -0.025 0.000 1.032 120 V CB 0.383 32.194 31.823 -0.020 0.000 1.009 120 V HN 0.793 nan 8.190 nan 0.000 0.477 121 L N 3.782 124.984 121.223 -0.034 0.000 2.416 121 L HA 0.241 4.582 4.340 0.000 0.000 0.216 121 L C 0.985 177.842 176.870 -0.022 0.000 1.098 121 L CA 0.685 55.509 54.840 -0.026 0.000 0.840 121 L CB 0.067 42.109 42.059 -0.029 0.000 0.981 121 L HN 0.792 nan 8.230 nan 0.000 0.462 122 S N 0.136 115.820 115.700 -0.026 0.000 2.636 122 S HA 0.630 5.100 4.470 0.000 0.000 0.266 122 S C -1.752 172.836 174.600 -0.020 0.000 1.147 122 S CA -0.871 57.317 58.200 -0.019 0.000 0.815 122 S CB 1.474 64.663 63.200 -0.018 0.000 1.119 122 S HN 0.106 nan 8.310 nan 0.000 0.470 123 L N -1.172 120.043 121.223 -0.013 0.000 2.582 123 L HA 0.972 5.312 4.340 0.000 0.000 0.257 123 L C -1.079 175.784 176.870 -0.011 0.000 0.974 123 L CA -0.257 54.576 54.840 -0.011 0.000 0.851 123 L CB 1.584 43.644 42.059 0.002 0.000 1.424 123 L HN 0.720 nan 8.230 nan 0.000 0.412 124 T N 0.928 115.473 114.554 -0.016 0.000 2.933 124 T HA 0.627 4.977 4.350 0.000 0.000 0.305 124 T C -1.942 172.741 174.700 -0.028 0.000 1.092 124 T CA -0.257 61.830 62.100 -0.021 0.000 1.008 124 T CB 1.714 70.568 68.868 -0.022 0.000 1.102 124 T HN 0.873 nan 8.240 nan 0.000 0.469 125 D N 2.502 122.881 120.400 -0.035 0.000 2.575 125 D HA 0.395 5.036 4.640 0.000 0.000 0.250 125 D C -1.464 174.805 176.300 -0.052 0.000 1.279 125 D CA -0.561 53.410 54.000 -0.048 0.000 0.925 125 D CB 0.997 41.768 40.800 -0.048 0.000 1.261 125 D HN 0.542 nan 8.370 nan 0.000 0.567 126 D N 0.613 120.979 120.400 -0.056 0.000 2.252 126 D HA 0.426 5.066 4.640 0.000 0.000 0.245 126 D C 1.376 177.634 176.300 -0.071 0.000 1.009 126 D CA -1.017 52.949 54.000 -0.056 0.000 0.870 126 D CB 1.331 42.104 40.800 -0.045 0.000 1.251 126 D HN 0.283 nan 8.370 nan 0.000 0.460 127 G N 0.200 108.960 108.800 -0.066 0.000 2.740 127 G HA2 0.050 4.010 3.960 0.000 0.000 0.208 127 G HA3 0.050 4.010 3.960 0.000 0.000 0.208 127 G C 0.988 175.832 174.900 -0.095 0.000 1.148 127 G CA 0.552 45.605 45.100 -0.078 0.000 0.795 127 G HN 0.620 nan 8.290 nan 0.000 0.526 128 A N -0.848 121.919 122.820 -0.089 0.000 1.997 128 A HA 0.639 4.959 4.320 0.000 0.000 0.212 128 A C 1.305 178.811 177.584 -0.129 0.000 1.178 128 A CA 1.394 53.376 52.037 -0.092 0.000 0.698 128 A CB 0.195 19.158 19.000 -0.062 0.000 0.842 128 A HN 0.992 nan 8.150 nan 0.000 0.458 129 G N -2.338 106.385 108.800 -0.129 0.000 2.488 129 G HA2 0.470 4.430 3.960 0.000 0.000 0.301 129 G HA3 0.470 4.430 3.960 0.000 0.000 0.301 129 G C -1.876 172.958 174.900 -0.111 0.000 1.339 129 G CA 0.061 45.075 45.100 -0.142 0.000 0.803 129 G HN 0.495 nan 8.290 nan 0.000 0.482 130 V N 0.570 120.430 119.914 -0.089 0.000 2.483 130 V HA 0.606 4.726 4.120 0.000 0.000 0.297 130 V C -0.245 175.828 176.094 -0.036 0.000 1.027 130 V CA -0.644 61.623 62.300 -0.055 0.000 0.855 130 V CB 1.450 33.249 31.823 -0.039 0.000 0.995 130 V HN 0.790 nan 8.190 nan 0.000 0.424 131 T N 4.683 119.219 114.554 -0.029 0.000 2.767 131 T HA 0.593 4.943 4.350 0.000 0.000 0.284 131 T C -0.106 174.581 174.700 -0.023 0.000 0.973 131 T CA -0.409 61.677 62.100 -0.022 0.000 0.996 131 T CB 1.506 70.362 68.868 -0.019 0.000 0.927 131 T HN 0.706 nan 8.240 nan 0.000 0.456 132 V N 1.406 121.304 119.914 -0.026 0.000 2.581 132 V HA 0.718 4.839 4.120 0.000 0.000 0.303 132 V C -0.117 175.941 176.094 -0.060 0.000 1.041 132 V CA -1.251 61.027 62.300 -0.037 0.000 0.907 132 V CB 1.583 33.385 31.823 -0.035 0.000 0.994 132 V HN 0.953 nan 8.190 nan 0.000 0.442 133 E N 3.205 123.365 120.200 -0.067 0.000 2.216 133 E HA 0.716 5.066 4.350 0.000 0.000 0.279 133 E C -1.325 175.191 176.600 -0.141 0.000 0.997 133 E CA -0.790 55.549 56.400 -0.101 0.000 0.817 133 E CB 2.041 31.702 29.700 -0.064 0.000 1.096 133 E HN 0.597 nan 8.360 nan 0.000 0.393 134 V N 3.197 122.952 119.914 -0.265 0.000 2.760 134 V HA 0.424 4.544 4.120 0.000 0.000 0.309 134 V C -0.401 175.535 176.094 -0.262 0.000 1.077 134 V CA -0.959 61.168 62.300 -0.288 0.000 0.910 134 V CB 1.742 33.305 31.823 -0.433 0.000 1.008 134 V HN 0.763 nan 8.190 nan 0.000 0.424 135 R N 2.005 122.444 120.500 -0.102 0.000 2.229 135 R HA 0.681 5.021 4.340 0.000 0.000 0.332 135 R C 0.158 176.418 176.300 -0.067 0.000 0.989 135 R CA -0.015 56.060 56.100 -0.042 0.000 0.842 135 R CB 1.183 31.465 30.300 -0.031 0.000 1.119 135 R HN 1.004 nan 8.270 nan 0.000 0.456 136 G N 3.108 111.873 108.800 -0.058 0.000 3.075 136 G HA2 0.334 4.295 3.960 0.000 0.000 0.253 136 G HA3 0.334 4.295 3.960 0.000 0.000 0.253 136 G C -2.049 172.726 174.900 -0.208 0.000 1.353 136 G CA -1.241 43.618 45.100 -0.401 0.000 1.051 136 G HN 0.406 nan 8.290 nan 0.000 0.553 137 P HA -0.066 nan 4.420 nan 0.000 0.219 137 P C 1.470 178.734 177.300 -0.060 0.000 1.146 137 P CA 1.178 64.224 63.100 -0.090 0.000 0.808 137 P CB 0.231 31.901 31.700 -0.050 0.000 0.779 138 E N -0.206 119.953 120.200 -0.069 0.000 2.502 138 E HA 0.119 4.469 4.350 0.000 0.000 0.194 138 E C 1.001 177.595 176.600 -0.010 0.000 1.062 138 E CA 0.820 57.188 56.400 -0.053 0.000 0.867 138 E CB -0.664 28.974 29.700 -0.103 0.000 0.888 138 E HN 0.152 nan 8.360 nan 0.000 0.510 139 G N 1.372 110.178 108.800 0.010 0.000 2.508 139 G HA2 -0.234 3.726 3.960 0.000 0.000 0.220 139 G HA3 -0.234 3.726 3.960 0.000 0.000 0.220 139 G C -1.008 173.965 174.900 0.122 0.000 1.287 139 G CA -0.306 44.818 45.100 0.040 0.000 0.916 139 G HN 0.178 nan 8.290 nan 0.000 0.574 140 K N 1.814 122.273 120.400 0.100 0.000 2.172 140 K HA 0.572 4.892 4.320 0.000 0.000 0.276 140 K C 0.132 176.836 176.600 0.173 0.000 1.013 140 K CA -0.275 56.068 56.287 0.094 0.000 0.913 140 K CB 1.331 33.846 32.500 0.024 0.000 1.055 140 K HN 0.931 nan 8.250 nan 0.000 0.461 141 H N -1.037 118.047 119.070 0.023 0.000 2.981 141 H HA 0.313 4.869 4.556 0.000 0.000 0.327 141 H C -1.260 174.091 175.328 0.039 0.000 1.342 141 H CA -0.861 55.208 56.048 0.036 0.000 1.123 141 H CB 1.318 31.115 29.762 0.059 0.000 1.851 141 H HN 0.618 nan 8.280 nan 0.000 0.531 142 T N 0.055 114.648 114.554 0.065 0.000 2.885 142 T HA 0.704 5.054 4.350 0.000 0.000 0.285 142 T C -0.343 174.398 174.700 0.068 0.000 1.019 142 T CA -0.893 61.207 62.100 -0.000 0.000 1.010 142 T CB 1.416 70.292 68.868 0.012 0.000 1.022 142 T HN 0.474 nan 8.240 nan 0.000 0.466 143 L N 1.442 122.678 121.223 0.022 0.000 2.388 143 L HA 0.725 5.065 4.340 0.000 0.000 0.264 143 L C -0.099 176.778 176.870 0.012 0.000 0.998 143 L CA -1.150 53.716 54.840 0.043 0.000 0.817 143 L CB 2.583 44.669 42.059 0.044 0.000 1.338 143 L HN 0.689 nan 8.230 nan 0.000 0.414 144 R N 1.311 121.819 120.500 0.012 0.000 2.744 144 R HA 0.912 5.252 4.340 0.000 0.000 0.279 144 R C -1.565 174.731 176.300 -0.005 0.000 0.977 144 R CA -0.306 55.792 56.100 -0.003 0.000 0.906 144 R CB 2.398 32.694 30.300 -0.006 0.000 1.197 144 R HN 0.830 nan 8.270 nan 0.000 0.463 145 A N 1.519 124.329 122.820 -0.016 0.000 2.602 145 A HA 0.641 4.961 4.320 0.000 0.000 0.290 145 A C -0.107 177.450 177.584 -0.046 0.000 1.114 145 A CA -0.072 51.958 52.037 -0.011 0.000 0.683 145 A CB 1.015 20.021 19.000 0.011 0.000 1.281 145 A HN 0.799 nan 8.150 nan 0.000 0.416 146 A N -0.605 122.193 122.820 -0.037 0.000 1.902 146 A HA 0.294 4.614 4.320 0.000 0.000 0.217 146 A C 0.429 177.780 177.584 -0.388 0.000 1.181 146 A CA 1.639 53.581 52.037 -0.158 0.000 0.623 146 A CB -0.416 18.581 19.000 -0.004 0.000 0.818 146 A HN 0.858 nan 8.150 nan 0.000 0.443 147 Y N -2.712 117.580 120.300 -0.014 0.000 2.512 147 Y HA 0.599 5.149 4.550 0.000 0.000 0.348 147 Y C -0.633 175.259 175.900 -0.014 0.000 0.990 147 Y CA -1.019 57.074 58.100 -0.013 0.000 1.033 147 Y CB 1.918 40.365 38.460 -0.021 0.000 1.259 147 Y HN 0.177 nan 8.280 nan 0.000 0.461 148 L N 2.879 124.192 121.223 0.149 0.000 2.362 148 L HA 0.838 5.178 4.340 0.000 0.000 0.275 148 L C -1.646 175.274 176.870 0.083 0.000 0.998 148 L CA -0.640 54.250 54.840 0.084 0.000 0.820 148 L CB 1.596 43.685 42.059 0.049 0.000 1.270 148 L HN 0.418 nan 8.230 nan 0.000 0.415 149 V N 4.248 124.182 119.914 0.035 0.000 2.378 149 V HA 0.537 4.657 4.120 0.000 0.000 0.288 149 V C 0.756 176.835 176.094 -0.024 0.000 1.016 149 V CA -0.459 61.841 62.300 0.001 0.000 0.840 149 V CB 1.226 33.027 31.823 -0.037 0.000 0.994 149 V HN 0.918 nan 8.190 nan 0.000 0.431 150 G N 2.808 111.580 108.800 -0.047 0.000 2.439 150 G HA2 0.257 4.217 3.960 0.000 0.000 0.298 150 G HA3 0.257 4.217 3.960 0.000 0.000 0.298 150 G C 0.273 175.106 174.900 -0.111 0.000 1.044 150 G CA -0.142 44.905 45.100 -0.088 0.000 1.168 150 G HN 0.866 nan 8.290 nan 0.000 0.433 151 C N 3.076 122.331 119.300 -0.075 0.000 2.352 151 C HA 0.204 4.664 4.460 0.000 0.000 0.321 151 C C 0.902 175.855 174.990 -0.062 0.000 1.407 151 C CA -1.018 57.961 59.018 -0.066 0.000 1.783 151 C CB -0.820 26.902 27.740 -0.029 0.000 2.698 151 C HN 0.810 nan 8.230 nan 0.000 0.555 152 D N -0.064 120.285 120.400 -0.085 0.000 2.427 152 D HA 0.360 5.000 4.640 0.000 0.000 0.224 152 D C 0.936 177.192 176.300 -0.072 0.000 1.157 152 D CA 0.408 54.368 54.000 -0.066 0.000 0.828 152 D CB 0.052 40.815 40.800 -0.061 0.000 0.974 152 D HN 0.520 nan 8.370 nan 0.000 0.498 153 G N -0.373 108.376 108.800 -0.085 0.000 2.760 153 G HA2 -0.106 3.855 3.960 0.000 0.000 0.246 153 G HA3 -0.106 3.855 3.960 0.000 0.000 0.246 153 G C 0.884 175.729 174.900 -0.092 0.000 1.359 153 G CA -0.239 44.819 45.100 -0.069 0.000 0.861 153 G HN 0.451 nan 8.290 nan 0.000 0.541 154 G N -0.783 107.988 108.800 -0.048 0.000 2.470 154 G HA2 -0.003 3.957 3.960 0.000 0.000 0.220 154 G HA3 -0.003 3.957 3.960 0.000 0.000 0.220 154 G C 1.274 176.159 174.900 -0.024 0.000 1.121 154 G CA 1.383 46.472 45.100 -0.019 0.000 0.766 154 G HN 0.746 nan 8.290 nan 0.000 0.553 155 R N 0.428 120.908 120.500 -0.035 0.000 2.694 155 R HA 0.264 4.605 4.340 0.000 0.000 0.334 155 R C 0.588 176.843 176.300 -0.074 0.000 1.143 155 R CA -0.181 55.900 56.100 -0.031 0.000 1.073 155 R CB 0.491 30.794 30.300 0.004 0.000 1.366 155 R HN 0.170 nan 8.270 nan 0.000 0.577 156 S N 0.554 116.171 115.700 -0.138 0.000 3.074 156 S HA -0.100 4.370 4.470 0.000 0.000 0.359 156 S C 1.152 175.684 174.600 -0.114 0.000 1.207 156 S CA -0.057 58.050 58.200 -0.154 0.000 1.061 156 S CB 0.377 63.422 63.200 -0.258 0.000 0.769 156 S HN 0.407 nan 8.310 nan 0.000 0.512 157 S N 4.388 120.046 115.700 -0.070 0.000 2.382 157 S HA -0.099 4.371 4.470 0.000 0.000 0.228 157 S C 1.923 176.504 174.600 -0.032 0.000 1.027 157 S CA 1.230 59.405 58.200 -0.040 0.000 0.991 157 S CB -0.246 62.938 63.200 -0.026 0.000 0.823 157 S HN 0.679 nan 8.310 nan 0.000 0.469 158 V N 2.017 121.904 119.914 -0.045 0.000 2.307 158 V HA -0.159 3.961 4.120 0.000 0.000 0.245 158 V C 2.553 178.671 176.094 0.040 0.000 1.045 158 V CA 1.820 64.115 62.300 -0.008 0.000 1.024 158 V CB -0.625 31.178 31.823 -0.033 0.000 0.651 158 V HN 0.397 nan 8.190 nan 0.000 0.449 159 R N 0.355 120.804 120.500 -0.084 0.000 2.083 159 R HA -0.233 4.107 4.340 0.000 0.000 0.237 159 R C 2.404 178.762 176.300 0.097 0.000 1.137 159 R CA 2.038 58.097 56.100 -0.068 0.000 0.951 159 R CB -0.195 29.864 30.300 -0.402 0.000 0.851 159 R HN 0.447 nan 8.270 nan 0.000 0.434 160 K N -0.229 120.170 120.400 -0.001 0.000 2.057 160 K HA -0.102 4.218 4.320 0.000 0.000 0.207 160 K C 2.043 178.672 176.600 0.048 0.000 1.049 160 K CA 1.661 57.963 56.287 0.024 0.000 0.931 160 K CB -0.146 32.353 32.500 -0.001 0.000 0.714 160 K HN 0.265 nan 8.250 nan 0.000 0.440 161 A N 0.796 123.643 122.820 0.045 0.000 1.930 161 A HA 0.064 4.385 4.320 0.000 0.000 0.215 161 A C 2.049 179.659 177.584 0.042 0.000 1.176 161 A CA 1.418 53.476 52.037 0.035 0.000 0.632 161 A CB -0.317 18.696 19.000 0.022 0.000 0.819 161 A HN 0.289 nan 8.150 nan 0.000 0.445 162 A N -1.324 121.556 122.820 0.099 0.000 2.337 162 A HA 0.444 4.764 4.320 0.000 0.000 0.227 162 A C 1.537 179.045 177.584 -0.127 0.000 1.259 162 A CA 0.902 52.962 52.037 0.038 0.000 0.870 162 A CB -1.129 17.976 19.000 0.176 0.000 0.927 162 A HN 1.806 nan 8.150 nan 0.000 0.497 163 G N -1.053 107.734 108.800 -0.022 0.000 2.198 163 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 163 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 163 G C -0.087 174.758 174.900 -0.091 0.000 1.025 163 G CA 0.123 45.185 45.100 -0.063 0.000 0.769 163 G HN 0.347 nan 8.290 nan 0.000 0.507 164 F N 1.276 121.226 119.950 -0.001 0.000 2.484 164 F HA 0.302 4.829 4.527 0.000 0.000 0.360 164 F C 0.995 176.833 175.800 0.065 0.000 1.101 164 F CA -0.373 57.641 58.000 0.023 0.000 1.251 164 F CB 0.634 39.625 39.000 -0.016 0.000 1.132 164 F HN 0.026 nan 8.300 nan 0.000 0.570 165 D N 3.360 123.928 120.400 0.279 0.000 2.308 165 D HA 0.079 4.719 4.640 0.000 0.000 0.251 165 D C -0.642 175.890 176.300 0.386 0.000 1.127 165 D CA 0.274 54.428 54.000 0.258 0.000 0.876 165 D CB 1.038 41.948 40.800 0.182 0.000 1.176 165 D HN 0.477 nan 8.370 nan 0.000 0.446 166 F N 3.612 123.638 119.950 0.127 0.000 2.564 166 F HA 0.212 4.739 4.527 0.000 0.000 0.329 166 F C -2.256 173.600 175.800 0.093 0.000 1.458 166 F CA -1.913 56.152 58.000 0.108 0.000 1.117 166 F CB 1.387 40.433 39.000 0.078 0.000 1.383 166 F HN 0.110 nan 8.300 nan 0.000 0.571 167 P HA 0.570 nan 4.420 nan 0.000 0.276 167 P C -0.068 177.160 177.300 -0.121 0.000 1.244 167 P CA 0.280 63.374 63.100 -0.010 0.000 0.801 167 P CB 2.262 33.994 31.700 0.054 0.000 1.006 168 G N 0.406 109.149 108.800 -0.096 0.000 2.404 168 G HA2 0.408 4.368 3.960 0.000 0.000 0.253 168 G HA3 0.408 4.368 3.960 0.000 0.000 0.253 168 G C -1.294 173.569 174.900 -0.062 0.000 1.253 168 G CA -0.197 44.841 45.100 -0.103 0.000 0.917 168 G HN 0.735 nan 8.290 nan 0.000 0.480 169 T N -1.517 113.004 114.554 -0.056 0.000 2.856 169 T HA 0.823 5.174 4.350 0.000 0.000 0.283 169 T C 0.364 175.049 174.700 -0.025 0.000 1.008 169 T CA 0.541 62.626 62.100 -0.026 0.000 0.997 169 T CB 1.629 70.492 68.868 -0.009 0.000 0.992 169 T HN 2.008 nan 8.240 nan 0.000 0.454 170 A N 2.270 125.084 122.820 -0.011 0.000 2.386 170 A HA 0.693 5.014 4.320 0.000 0.000 0.248 170 A C 0.997 178.581 177.584 0.000 0.000 1.082 170 A CA -0.334 51.702 52.037 -0.002 0.000 0.789 170 A CB -0.596 18.407 19.000 0.005 0.000 1.025 170 A HN 1.603 nan 8.150 nan 0.000 0.490 171 A N 0.970 123.793 122.820 0.004 0.000 2.531 171 A HA 0.410 4.730 4.320 0.000 0.000 0.236 171 A C 1.269 178.848 177.584 -0.009 0.000 1.062 171 A CA 0.746 52.783 52.037 0.000 0.000 0.760 171 A CB -0.279 18.721 19.000 -0.001 0.000 0.995 171 A HN 1.682 nan 8.150 nan 0.000 0.501 172 T N -1.102 113.443 114.554 -0.015 0.000 3.040 172 T HA 0.469 4.819 4.350 0.000 0.000 0.266 172 T C 0.050 174.726 174.700 -0.040 0.000 1.005 172 T CA 0.499 62.587 62.100 -0.020 0.000 0.906 172 T CB -0.185 68.676 68.868 -0.011 0.000 1.082 172 T HN 0.922 nan 8.240 nan 0.000 0.531 173 M N 1.094 120.658 119.600 -0.061 0.000 2.471 173 M HA 0.531 5.011 4.480 0.000 0.000 0.284 173 M C -2.193 174.004 176.300 -0.173 0.000 1.203 173 M CA -0.618 54.618 55.300 -0.107 0.000 0.915 173 M CB 2.478 35.018 32.600 -0.101 0.000 1.734 173 M HN 0.069 nan 8.290 nan 0.000 0.485 174 E N 3.842 123.889 120.200 -0.254 0.000 2.158 174 E HA 0.648 4.998 4.350 0.000 0.000 0.271 174 E C -1.537 174.657 176.600 -0.676 0.000 0.911 174 E CA -0.407 55.749 56.400 -0.407 0.000 0.767 174 E CB 1.306 30.804 29.700 -0.337 0.000 1.120 174 E HN 0.876 nan 8.360 nan 0.000 0.405 175 M N 2.579 121.621 119.600 -0.929 0.000 2.811 175 M HA 0.444 4.924 4.480 0.000 0.000 0.303 175 M C -1.252 174.319 176.300 -1.214 0.000 1.227 175 M CA -0.608 54.026 55.300 -1.109 0.000 0.874 175 M CB 1.640 33.587 32.600 -1.089 0.000 1.681 175 M HN 0.424 nan 8.290 nan 0.000 0.500 176 Y N 0.806 120.871 120.300 -0.391 0.000 2.499 176 Y HA 0.766 5.316 4.550 0.000 0.000 0.347 176 Y C -0.793 175.126 175.900 0.031 0.000 0.987 176 Y CA -1.335 56.663 58.100 -0.170 0.000 1.044 176 Y CB 1.469 39.879 38.460 -0.082 0.000 1.245 176 Y HN 0.523 nan 8.280 nan 0.000 0.461 177 L N 0.520 121.873 121.223 0.216 0.000 2.371 177 L HA 1.136 5.477 4.340 0.000 0.000 0.262 177 L C -1.238 175.615 176.870 -0.027 0.000 1.006 177 L CA -0.994 53.921 54.840 0.124 0.000 0.818 177 L CB 2.469 44.590 42.059 0.104 0.000 1.354 177 L HN 0.651 nan 8.230 nan 0.000 0.415 178 A N 1.094 123.915 122.820 0.001 0.000 2.437 178 A HA 0.658 4.979 4.320 0.000 0.000 0.293 178 A C -1.760 175.789 177.584 -0.058 0.000 1.038 178 A CA -0.549 51.460 52.037 -0.047 0.000 0.708 178 A CB 1.336 20.381 19.000 0.076 0.000 1.251 178 A HN 0.731 nan 8.150 nan 0.000 0.409 179 D N 2.291 122.670 120.400 -0.035 0.000 2.280 179 D HA 0.596 5.236 4.640 0.000 0.000 0.243 179 D C 0.137 176.337 176.300 -0.165 0.000 1.129 179 D CA 0.456 54.436 54.000 -0.032 0.000 0.848 179 D CB 1.171 42.025 40.800 0.090 0.000 1.107 179 D HN 0.642 nan 8.370 nan 0.000 0.471 180 I N -2.185 118.252 120.570 -0.221 0.000 2.969 180 I HA 0.588 4.758 4.170 0.000 0.000 0.307 180 I C -0.581 175.393 176.117 -0.238 0.000 1.149 180 I CA -1.078 60.012 61.300 -0.351 0.000 1.008 180 I CB 2.482 40.149 38.000 -0.556 0.000 1.232 180 I HN -0.128 nan 8.210 nan 0.000 0.435 181 K N 1.175 121.429 120.400 -0.245 0.000 2.352 181 K HA 0.736 5.056 4.320 0.000 0.000 0.240 181 K C 0.331 176.847 176.600 -0.140 0.000 1.017 181 K CA -0.254 55.941 56.287 -0.154 0.000 0.851 181 K CB 1.945 34.374 32.500 -0.118 0.000 1.261 181 K HN 1.065 nan 8.250 nan 0.000 0.451 182 G N -0.468 108.287 108.800 -0.075 0.000 2.399 182 G HA2 -0.237 3.723 3.960 0.000 0.000 0.216 182 G HA3 -0.237 3.723 3.960 0.000 0.000 0.216 182 G C -0.365 174.542 174.900 0.012 0.000 1.096 182 G CA 0.000 45.086 45.100 -0.024 0.000 0.650 182 G HN 0.381 nan 8.290 nan 0.000 0.512 183 V N 1.150 121.047 119.914 -0.028 0.000 2.513 183 V HA 0.654 4.775 4.120 0.000 0.000 0.299 183 V C -0.136 175.958 176.094 -0.001 0.000 1.035 183 V CA -1.001 61.309 62.300 0.018 0.000 0.889 183 V CB 1.806 33.620 31.823 -0.014 0.000 0.988 183 V HN 0.361 nan 8.190 nan 0.000 0.440 184 E N 4.307 124.526 120.200 0.033 0.000 2.115 184 E HA 0.573 4.923 4.350 0.000 0.000 0.282 184 E C -1.214 175.416 176.600 0.049 0.000 0.987 184 E CA -0.327 56.091 56.400 0.029 0.000 0.797 184 E CB 1.587 31.308 29.700 0.034 0.000 1.086 184 E HN 0.513 nan 8.360 nan 0.000 0.397 185 L N 2.454 123.704 121.223 0.044 0.000 2.342 185 L HA 0.309 4.649 4.340 0.000 0.000 0.271 185 L C 0.193 177.119 176.870 0.094 0.000 1.008 185 L CA -1.065 53.828 54.840 0.090 0.000 0.818 185 L CB 1.622 43.736 42.059 0.093 0.000 1.296 185 L HN 0.339 nan 8.230 nan 0.000 0.427 186 Q N 2.674 122.544 119.800 0.116 0.000 2.262 186 Q HA 0.152 4.492 4.340 0.000 0.000 0.272 186 Q C -2.194 173.865 176.000 0.098 0.000 1.076 186 Q CA -1.700 54.158 55.803 0.093 0.000 0.905 186 Q CB 0.005 28.795 28.738 0.087 0.000 1.182 186 Q HN 0.260 nan 8.270 nan 0.000 0.390 187 P HA 0.011 nan 4.420 nan 0.000 0.266 187 P C -0.663 176.675 177.300 0.064 0.000 1.195 187 P CA 0.094 63.233 63.100 0.066 0.000 0.768 187 P CB 0.662 32.388 31.700 0.044 0.000 0.838 188 R N 3.597 124.138 120.500 0.069 0.000 2.629 188 R HA 0.263 4.603 4.340 0.000 0.000 0.275 188 R C 0.813 177.133 176.300 0.033 0.000 1.719 188 R CA -0.315 55.816 56.100 0.051 0.000 1.472 188 R CB 0.551 30.887 30.300 0.061 0.000 1.237 188 R HN 0.509 nan 8.270 nan 0.000 0.589 189 M N 0.894 120.506 119.600 0.019 0.000 2.296 189 M HA -0.025 4.455 4.480 0.000 0.000 0.265 189 M C 1.643 177.928 176.300 -0.025 0.000 1.064 189 M CA 1.783 57.087 55.300 0.006 0.000 1.109 189 M CB -0.093 32.512 32.600 0.008 0.000 1.396 189 M HN 0.382 nan 8.290 nan 0.000 0.430 190 I N -2.965 117.579 120.570 -0.043 0.000 4.025 190 I HA 0.556 4.726 4.170 0.000 0.000 0.336 190 I C 0.587 176.685 176.117 -0.032 0.000 1.390 190 I CA -0.138 61.078 61.300 -0.140 0.000 1.099 190 I CB 0.038 37.951 38.000 -0.145 0.000 1.049 190 I HN 0.224 nan 8.210 nan 0.000 0.394 191 G N 2.142 110.952 108.800 0.016 0.000 2.612 191 G HA2 -0.030 3.930 3.960 0.000 0.000 0.686 191 G HA3 -0.030 3.930 3.960 0.000 0.000 0.686 191 G C -1.099 173.846 174.900 0.076 0.000 1.274 191 G CA -0.294 44.847 45.100 0.068 0.000 0.849 191 G HN 0.626 nan 8.290 nan 0.000 0.595 192 E N -0.495 119.742 120.200 0.062 0.000 2.294 192 E HA 0.610 4.960 4.350 0.000 0.000 0.272 192 E C -0.093 176.525 176.600 0.029 0.000 0.896 192 E CA -0.350 56.070 56.400 0.033 0.000 0.802 192 E CB 1.076 30.776 29.700 -0.000 0.000 1.267 192 E HN 0.664 nan 8.360 nan 0.000 0.406 193 T N 5.148 119.727 114.554 0.041 0.000 2.769 193 T HA 0.334 4.684 4.350 0.000 0.000 0.293 193 T C 0.115 174.812 174.700 -0.006 0.000 0.931 193 T CA -0.067 62.053 62.100 0.033 0.000 1.139 193 T CB -0.071 68.819 68.868 0.037 0.000 0.881 193 T HN 0.372 nan 8.240 nan 0.000 0.532 194 L N 4.850 126.058 121.223 -0.024 0.000 2.313 194 L HA 0.386 4.726 4.340 0.000 0.000 0.268 194 L C -1.371 175.477 176.870 -0.038 0.000 1.010 194 L CA -2.675 52.135 54.840 -0.051 0.000 0.814 194 L CB 1.558 43.560 42.059 -0.096 0.000 1.304 194 L HN 0.310 nan 8.230 nan 0.000 0.441 195 P HA -0.089 nan 4.420 nan 0.000 0.219 195 P C 0.835 178.116 177.300 -0.031 0.000 1.146 195 P CA 0.839 63.920 63.100 -0.031 0.000 0.808 195 P CB 0.249 31.929 31.700 -0.034 0.000 0.779 196 G N -2.289 106.485 108.800 -0.043 0.000 3.774 196 G HA2 0.528 4.488 3.960 0.000 0.000 0.287 196 G HA3 0.528 4.488 3.960 0.000 0.000 0.287 196 G C 0.416 175.291 174.900 -0.042 0.000 1.030 196 G CA 0.250 45.326 45.100 -0.040 0.000 0.824 196 G HN 0.522 nan 8.290 nan 0.000 0.518 197 G N 0.124 108.901 108.800 -0.038 0.000 2.439 197 G HA2 0.485 4.445 3.960 0.000 0.000 0.186 197 G HA3 0.485 4.445 3.960 0.000 0.000 0.186 197 G C -1.167 173.719 174.900 -0.023 0.000 1.260 197 G CA -0.029 45.052 45.100 -0.031 0.000 1.020 197 G HN 1.047 nan 8.290 nan 0.000 0.470 198 M N -0.904 118.676 119.600 -0.033 0.000 2.520 198 M HA 0.908 5.389 4.480 0.000 0.000 0.283 198 M C -1.790 174.475 176.300 -0.059 0.000 1.237 198 M CA -0.906 54.380 55.300 -0.024 0.000 0.885 198 M CB 2.179 34.796 32.600 0.028 0.000 1.727 198 M HN 1.239 nan 8.290 nan 0.000 0.468 199 V N 3.112 122.992 119.914 -0.057 0.000 2.888 199 V HA 0.718 4.839 4.120 0.000 0.000 0.309 199 V C -1.343 174.763 176.094 0.021 0.000 1.114 199 V CA -0.573 61.709 62.300 -0.031 0.000 0.940 199 V CB 2.605 34.318 31.823 -0.183 0.000 1.021 199 V HN 1.037 nan 8.190 nan 0.000 0.426 200 M N 5.425 125.079 119.600 0.090 0.000 2.465 200 M HA 0.796 5.276 4.480 0.000 0.000 0.316 200 M C -1.398 175.009 176.300 0.179 0.000 1.121 200 M CA -0.925 54.422 55.300 0.079 0.000 0.934 200 M CB 2.165 34.761 32.600 -0.006 0.000 1.692 200 M HN 0.448 nan 8.290 nan 0.000 0.444 201 V N -0.181 119.820 119.914 0.144 0.000 2.808 201 V HA 1.055 5.175 4.120 0.000 0.000 0.308 201 V C -0.485 175.655 176.094 0.077 0.000 1.099 201 V CA -0.651 61.735 62.300 0.142 0.000 0.920 201 V CB 1.492 33.449 31.823 0.224 0.000 1.014 201 V HN 1.039 nan 8.190 nan 0.000 0.425 202 G N 2.932 111.761 108.800 0.049 0.000 2.732 202 G HA2 0.782 4.742 3.960 0.000 0.000 0.296 202 G HA3 0.782 4.742 3.960 0.000 0.000 0.296 202 G C -3.548 171.364 174.900 0.020 0.000 1.448 202 G CA -1.106 44.014 45.100 0.034 0.000 0.911 202 G HN 0.621 nan 8.290 nan 0.000 0.528 203 P HA 0.650 nan 4.420 nan 0.000 0.281 203 P C -0.659 176.648 177.300 0.012 0.000 1.249 203 P CA -0.510 62.596 63.100 0.010 0.000 0.810 203 P CB 1.935 33.642 31.700 0.011 0.000 1.008 204 L N 1.826 123.053 121.223 0.008 0.000 2.376 204 L HA 0.518 4.858 4.340 0.000 0.000 0.258 204 L C -2.418 174.456 176.870 0.007 0.000 1.013 204 L CA -2.741 52.106 54.840 0.012 0.000 0.822 204 L CB 2.215 44.283 42.059 0.016 0.000 1.388 204 L HN 0.155 nan 8.230 nan 0.000 0.413 205 P HA 0.128 nan 4.420 nan 0.000 0.268 205 P C 0.484 177.783 177.300 -0.002 0.000 1.208 205 P CA 0.515 63.619 63.100 0.006 0.000 0.777 205 P CB 0.522 32.229 31.700 0.011 0.000 0.875 206 G N 1.217 110.015 108.800 -0.004 0.000 2.137 206 G HA2 -0.017 3.943 3.960 0.000 0.000 0.237 206 G HA3 -0.017 3.943 3.960 0.000 0.000 0.237 206 G C 0.780 175.670 174.900 -0.016 0.000 1.002 206 G CA 0.330 45.423 45.100 -0.011 0.000 0.702 206 G HN 1.074 nan 8.290 nan 0.000 0.515 207 G N -1.267 107.525 108.800 -0.013 0.000 2.153 207 G HA2 -0.253 3.708 3.960 0.000 0.000 0.252 207 G HA3 -0.253 3.708 3.960 0.000 0.000 0.252 207 G C 0.382 175.264 174.900 -0.030 0.000 0.994 207 G CA 0.489 45.578 45.100 -0.018 0.000 0.698 207 G HN 1.394 nan 8.290 nan 0.000 0.521 208 I N 1.466 122.019 120.570 -0.028 0.000 2.441 208 I HA 0.338 4.508 4.170 0.000 0.000 0.287 208 I C 0.546 176.641 176.117 -0.037 0.000 1.049 208 I CA -0.051 61.225 61.300 -0.040 0.000 1.381 208 I CB 1.315 39.299 38.000 -0.028 0.000 1.409 208 I HN 0.020 nan 8.210 nan 0.000 0.523 209 T N 6.336 120.854 114.554 -0.061 0.000 2.771 209 T HA 0.346 4.696 4.350 0.000 0.000 0.281 209 T C -0.131 174.530 174.700 -0.066 0.000 0.982 209 T CA -0.613 61.453 62.100 -0.058 0.000 0.978 209 T CB 1.030 69.850 68.868 -0.081 0.000 0.930 209 T HN 0.494 nan 8.240 nan 0.000 0.447 210 R N 3.841 124.324 120.500 -0.027 0.000 2.265 210 R HA 0.618 4.958 4.340 0.000 0.000 0.319 210 R C -0.343 175.953 176.300 -0.007 0.000 1.006 210 R CA -0.660 55.435 56.100 -0.008 0.000 0.880 210 R CB 0.284 30.604 30.300 0.032 0.000 1.077 210 R HN 0.765 nan 8.270 nan 0.000 0.454 211 I N 1.812 122.372 120.570 -0.017 0.000 2.530 211 I HA 0.520 4.690 4.170 0.000 0.000 0.297 211 I C -0.907 175.289 176.117 0.133 0.000 1.011 211 I CA -1.070 60.249 61.300 0.031 0.000 1.107 211 I CB 1.947 39.832 38.000 -0.193 0.000 1.285 211 I HN 0.529 nan 8.210 nan 0.000 0.436 212 I N 6.080 126.776 120.570 0.210 0.000 2.410 212 I HA 0.391 4.561 4.170 0.000 0.000 0.286 212 I C -0.882 175.378 176.117 0.239 0.000 1.009 212 I CA -0.878 60.541 61.300 0.198 0.000 1.111 212 I CB 2.051 40.118 38.000 0.111 0.000 1.262 212 I HN 0.379 nan 8.210 nan 0.000 0.443 213 V N 5.503 125.559 119.914 0.236 0.000 2.349 213 V HA 0.278 4.398 4.120 0.000 0.000 0.284 213 V C -0.485 175.656 176.094 0.079 0.000 1.014 213 V CA -0.531 61.908 62.300 0.232 0.000 0.826 213 V CB 1.055 33.097 31.823 0.364 0.000 1.009 213 V HN 0.808 nan 8.190 nan 0.000 0.431 214 C N 4.062 123.365 119.300 0.004 0.000 2.357 214 C HA 0.505 4.965 4.460 0.000 0.000 0.300 214 C C 0.377 175.331 174.990 -0.061 0.000 1.074 214 C CA -0.864 58.107 59.018 -0.077 0.000 1.566 214 C CB -0.712 26.983 27.740 -0.075 0.000 1.791 214 C HN 0.928 nan 8.230 nan 0.000 0.415 215 E N 2.610 122.776 120.200 -0.056 0.000 2.231 215 E HA 0.399 4.749 4.350 0.000 0.000 0.277 215 E C 0.182 176.753 176.600 -0.048 0.000 0.999 215 E CA -0.550 55.828 56.400 -0.038 0.000 0.827 215 E CB 0.846 30.548 29.700 0.003 0.000 1.101 215 E HN 0.751 nan 8.360 nan 0.000 0.393 216 R N 2.485 122.962 120.500 -0.039 0.000 2.504 216 R HA 0.169 4.509 4.340 0.000 0.000 0.291 216 R C 0.740 177.021 176.300 -0.032 0.000 0.974 216 R CA 0.666 56.746 56.100 -0.034 0.000 1.077 216 R CB -0.102 30.181 30.300 -0.027 0.000 0.926 216 R HN 0.730 nan 8.270 nan 0.000 0.407 217 G N 2.158 110.937 108.800 -0.035 0.000 2.136 217 G HA2 -0.270 3.690 3.960 0.000 0.000 0.242 217 G HA3 -0.270 3.690 3.960 0.000 0.000 0.242 217 G C -0.180 174.700 174.900 -0.033 0.000 0.989 217 G CA 0.274 45.356 45.100 -0.029 0.000 0.682 217 G HN 0.743 nan 8.290 nan 0.000 0.522 218 T N 3.398 117.921 114.554 -0.052 0.000 2.737 218 T HA 0.501 4.851 4.350 0.000 0.000 0.296 218 T C -1.765 172.889 174.700 -0.075 0.000 0.922 218 T CA -0.654 61.410 62.100 -0.061 0.000 1.079 218 T CB 1.978 70.781 68.868 -0.108 0.000 0.892 218 T HN 0.284 nan 8.240 nan 0.000 0.514 219 P HA 0.222 nan 4.420 nan 0.000 0.271 219 P C -2.356 174.905 177.300 -0.064 0.000 1.216 219 P CA -1.458 61.615 63.100 -0.046 0.000 0.776 219 P CB -0.022 31.665 31.700 -0.023 0.000 0.881 227 P HA 0.407 nan 4.420 nan 0.000 0.280 227 P C 0.087 177.363 177.300 -0.039 0.000 1.244 227 P CA -0.227 62.867 63.100 -0.011 0.000 0.784 227 P CB 0.752 32.436 31.700 -0.026 0.000 0.913 228 S N 1.866 117.536 115.700 -0.051 0.000 2.572 228 S HA -0.014 4.456 4.470 0.000 0.000 0.279 228 S C 1.057 175.610 174.600 -0.078 0.000 1.341 228 S CA -0.847 57.329 58.200 -0.040 0.000 1.043 228 S CB 0.490 63.676 63.200 -0.023 0.000 0.887 228 S HN 0.755 nan 8.310 nan 0.000 0.516 229 W N 2.871 124.001 121.300 -0.284 0.000 2.363 229 W HA -0.198 4.462 4.660 0.000 0.000 0.296 229 W C 1.304 177.620 176.519 -0.338 0.000 1.212 229 W CA 1.596 58.727 57.345 -0.357 0.000 1.260 229 W CB -0.409 28.794 29.460 -0.427 0.000 1.131 229 W HN 0.870 nan 8.180 nan 0.000 0.530 230 H N 0.905 119.758 119.070 -0.362 0.000 2.428 230 H HA -0.131 4.425 4.556 0.000 0.000 0.296 230 H C 2.222 177.298 175.328 -0.421 0.000 1.062 230 H CA 1.825 57.581 56.048 -0.487 0.000 1.350 230 H CB -0.508 29.111 29.762 -0.238 0.000 1.403 230 H HN 0.521 nan 8.280 nan 0.000 0.533 231 E N 1.102 121.153 120.200 -0.249 0.000 2.106 231 E HA -0.089 4.262 4.350 0.000 0.000 0.192 231 E C 2.104 178.447 176.600 -0.429 0.000 0.984 231 E CA 1.265 57.498 56.400 -0.278 0.000 0.806 231 E CB -0.491 29.066 29.700 -0.238 0.000 0.750 231 E HN 0.127 nan 8.360 nan 0.000 0.458 232 V N 2.023 121.580 119.914 -0.595 0.000 2.343 232 V HA -0.246 3.874 4.120 0.000 0.000 0.247 232 V C 2.692 178.492 176.094 -0.490 0.000 1.051 232 V CA 1.863 63.818 62.300 -0.574 0.000 1.036 232 V CB -0.829 30.754 31.823 -0.400 0.000 0.654 232 V HN 0.466 nan 8.190 nan 0.000 0.451 233 A N 0.036 122.324 122.820 -0.885 0.000 1.902 233 A HA -0.256 4.065 4.320 0.000 0.000 0.217 233 A C 1.990 179.428 177.584 -0.244 0.000 1.181 233 A CA 2.069 53.659 52.037 -0.744 0.000 0.623 233 A CB -0.685 17.697 19.000 -1.030 0.000 0.818 233 A HN 0.514 nan 8.150 nan 0.000 0.443 234 D N 0.018 120.281 120.400 -0.228 0.000 2.149 234 D HA -0.057 4.583 4.640 0.000 0.000 0.198 234 D C 2.207 178.479 176.300 -0.047 0.000 0.990 234 D CA 1.489 55.426 54.000 -0.105 0.000 0.839 234 D CB -0.370 40.366 40.800 -0.105 0.000 0.948 234 D HN 0.425 nan 8.370 nan 0.000 0.460 235 A N 0.581 123.372 122.820 -0.048 0.000 1.902 235 A HA -0.178 4.142 4.320 0.000 0.000 0.217 235 A C 2.176 179.800 177.584 0.066 0.000 1.181 235 A CA 1.144 53.200 52.037 0.030 0.000 0.623 235 A CB -1.143 17.919 19.000 0.103 0.000 0.818 235 A HN 0.439 nan 8.150 nan 0.000 0.443 236 W N 0.886 122.129 121.300 -0.094 0.000 2.335 236 W HA -0.197 4.463 4.660 0.000 0.000 0.311 236 W C 2.129 178.623 176.519 -0.042 0.000 1.213 236 W CA 2.243 59.554 57.345 -0.057 0.000 1.274 236 W CB -0.300 29.117 29.460 -0.071 0.000 1.148 236 W HN 0.392 nan 8.180 nan 0.000 0.498 237 K N 0.336 120.819 120.400 0.138 0.000 2.063 237 K HA -0.211 4.109 4.320 0.000 0.000 0.208 237 K C 2.304 178.882 176.600 -0.037 0.000 1.048 237 K CA 1.726 58.049 56.287 0.060 0.000 0.928 237 K CB -0.208 32.328 32.500 0.060 0.000 0.713 237 K HN 0.047 nan 8.250 nan 0.000 0.442 238 R N 0.164 120.637 120.500 -0.044 0.000 2.075 238 R HA -0.070 4.270 4.340 0.000 0.000 0.232 238 R C 2.412 178.651 176.300 -0.101 0.000 1.126 238 R CA 1.222 57.287 56.100 -0.058 0.000 0.963 238 R CB -0.265 30.011 30.300 -0.040 0.000 0.858 238 R HN 0.209 nan 8.270 nan 0.000 0.435 239 L N -0.121 121.009 121.223 -0.156 0.000 2.044 239 L HA -0.129 4.211 4.340 0.000 0.000 0.205 239 L C 2.545 179.250 176.870 -0.276 0.000 1.075 239 L CA 1.763 56.473 54.840 -0.217 0.000 0.747 239 L CB -0.397 41.497 42.059 -0.275 0.000 0.903 239 L HN 0.361 nan 8.230 nan 0.000 0.435 240 T N -4.991 109.324 114.554 -0.398 0.000 3.014 240 T HA 0.236 4.587 4.350 0.000 0.000 0.250 240 T C 1.491 176.084 174.700 -0.179 0.000 1.060 240 T CA 0.510 62.380 62.100 -0.384 0.000 1.040 240 T CB 0.776 69.222 68.868 -0.704 0.000 0.971 240 T HN 0.429 nan 8.240 nan 0.000 0.497 241 G N 1.435 110.162 108.800 -0.122 0.000 2.179 241 G HA2 -0.189 3.771 3.960 0.000 0.000 0.260 241 G HA3 -0.189 3.771 3.960 0.000 0.000 0.260 241 G C -0.449 174.465 174.900 0.023 0.000 0.977 241 G CA 0.167 45.244 45.100 -0.038 0.000 0.641 241 G HN 0.606 nan 8.290 nan 0.000 0.533 242 D N 0.803 121.241 120.400 0.063 0.000 2.233 242 D HA 0.474 5.114 4.640 0.000 0.000 0.240 242 D C -0.584 175.892 176.300 0.294 0.000 1.074 242 D CA -0.313 53.805 54.000 0.197 0.000 0.838 242 D CB 1.557 42.537 40.800 0.300 0.000 1.124 242 D HN 0.130 nan 8.370 nan 0.000 0.475 243 D N 1.639 122.176 120.400 0.227 0.000 2.325 243 D HA 0.147 4.787 4.640 0.000 0.000 0.251 243 D C 0.755 177.229 176.300 0.289 0.000 1.196 243 D CA -0.317 53.817 54.000 0.224 0.000 0.866 243 D CB 0.418 41.317 40.800 0.165 0.000 1.101 243 D HN 0.438 nan 8.370 nan 0.000 0.476 244 I N 0.914 121.584 120.570 0.167 0.000 4.050 244 I HA 0.396 4.566 4.170 0.000 0.000 0.327 244 I C 1.436 177.531 176.117 -0.036 0.000 1.473 244 I CA -0.587 60.682 61.300 -0.052 0.000 1.124 244 I CB 0.598 38.486 38.000 -0.187 0.000 1.129 244 I HN 0.250 nan 8.210 nan 0.000 0.428 245 A N 2.115 124.990 122.820 0.092 0.000 2.032 245 A HA -0.254 4.066 4.320 0.000 0.000 0.221 245 A C 2.088 179.911 177.584 0.399 0.000 1.165 245 A CA 2.304 54.443 52.037 0.170 0.000 0.645 245 A CB -1.327 17.735 19.000 0.103 0.000 0.807 245 A HN 0.869 nan 8.150 nan 0.000 0.453 246 H N -1.338 117.888 119.070 0.260 0.000 2.524 246 H HA 0.541 5.097 4.556 0.000 0.000 0.282 246 H C 1.098 176.540 175.328 0.189 0.000 1.016 246 H CA 0.171 56.341 56.048 0.204 0.000 1.270 246 H CB -0.539 29.291 29.762 0.113 0.000 1.394 246 H HN 0.444 nan 8.280 nan 0.000 0.568 247 A N 1.366 124.102 122.820 -0.140 0.000 2.475 247 A HA 0.019 4.339 4.320 0.000 0.000 0.239 247 A C 0.053 177.470 177.584 -0.278 0.000 1.087 247 A CA -0.223 51.692 52.037 -0.204 0.000 0.779 247 A CB 0.179 19.026 19.000 -0.256 0.000 1.036 247 A HN 0.634 nan 8.150 nan 0.000 0.506 248 E N 1.729 121.715 120.200 -0.356 0.000 2.081 248 E HA 0.287 4.637 4.350 0.000 0.000 0.276 248 E C -2.509 173.742 176.600 -0.582 0.000 0.950 248 E CA -1.859 54.313 56.400 -0.379 0.000 0.776 248 E CB 1.078 30.656 29.700 -0.203 0.000 1.094 248 E HN 0.423 nan 8.360 nan 0.000 0.402 249 P HA -0.000 nan 4.420 nan 0.000 0.276 249 P C 0.433 177.542 177.300 -0.319 0.000 1.264 249 P CA 0.018 62.688 63.100 -0.718 0.000 0.769 249 P CB 1.411 32.691 31.700 -0.701 0.000 0.840 250 V N 2.684 122.467 119.914 -0.219 0.000 2.374 250 V HA 0.076 4.196 4.120 0.000 0.000 0.241 250 V C 0.418 176.565 176.094 0.089 0.000 1.034 250 V CA 1.242 63.504 62.300 -0.063 0.000 1.037 250 V CB -0.469 31.329 31.823 -0.042 0.000 0.682 250 V HN 0.576 nan 8.190 nan 0.000 0.463 251 W N -0.341 120.886 121.300 -0.123 0.000 2.957 251 W HA 0.657 5.317 4.660 0.000 0.000 0.336 251 W C -1.643 174.852 176.519 -0.039 0.000 1.087 251 W CA -1.339 55.969 57.345 -0.062 0.000 1.235 251 W CB 1.636 31.077 29.460 -0.032 0.000 1.399 251 W HN -0.204 nan 8.180 nan 0.000 0.480 252 V N 5.123 124.893 119.914 -0.240 0.000 2.540 252 V HA 0.704 4.824 4.120 0.000 0.000 0.302 252 V C -0.455 175.326 176.094 -0.522 0.000 1.035 252 V CA -0.756 61.350 62.300 -0.323 0.000 0.873 252 V CB 1.334 33.114 31.823 -0.071 0.000 0.992 252 V HN 0.497 nan 8.190 nan 0.000 0.428 253 S N 2.783 118.164 115.700 -0.532 0.000 2.569 253 S HA 0.909 5.379 4.470 0.000 0.000 0.280 253 S C -0.657 173.911 174.600 -0.053 0.000 1.111 253 S CA 0.021 57.975 58.200 -0.410 0.000 0.887 253 S CB 1.906 64.587 63.200 -0.865 0.000 1.095 253 S HN 1.239 nan 8.310 nan 0.000 0.476 254 A N 2.540 125.381 122.820 0.034 0.000 2.355 254 A HA 0.957 5.277 4.320 0.000 0.000 0.324 254 A C -0.930 176.706 177.584 0.088 0.000 1.117 254 A CA -0.695 51.355 52.037 0.022 0.000 0.785 254 A CB 0.506 19.524 19.000 0.030 0.000 1.254 254 A HN 1.239 nan 8.150 nan 0.000 0.453 255 F N -0.610 119.290 119.950 -0.084 0.000 2.662 255 F HA 0.890 5.417 4.527 0.000 0.000 0.312 255 F C 0.130 175.881 175.800 -0.082 0.000 1.113 255 F CA -0.457 57.505 58.000 -0.063 0.000 0.951 255 F CB 1.078 40.049 39.000 -0.047 0.000 1.344 255 F HN 0.863 nan 8.300 nan 0.000 0.462 256 G N 0.021 108.896 108.800 0.126 0.000 3.140 256 G HA2 0.408 4.368 3.960 0.000 0.000 0.271 256 G HA3 0.408 4.368 3.960 0.000 0.000 0.271 256 G C -1.214 173.755 174.900 0.115 0.000 1.370 256 G CA -0.748 44.365 45.100 0.022 0.000 1.014 256 G HN 0.991 nan 8.290 nan 0.000 0.541 257 N N -0.855 117.878 118.700 0.056 0.000 2.338 257 N HA 0.335 5.075 4.740 0.000 0.000 0.251 257 N C 0.347 175.889 175.510 0.054 0.000 1.199 257 N CA -0.007 53.089 53.050 0.076 0.000 0.879 257 N CB 0.636 39.159 38.487 0.061 0.000 1.159 257 N HN 0.596 nan 8.380 nan 0.000 0.514 258 A N 0.407 123.252 122.820 0.042 0.000 2.524 258 A HA 0.419 4.739 4.320 0.000 0.000 0.250 258 A C -0.101 177.498 177.584 0.024 0.000 1.078 258 A CA 0.317 52.367 52.037 0.022 0.000 0.761 258 A CB -0.139 18.875 19.000 0.023 0.000 1.012 258 A HN 0.309 nan 8.150 nan 0.000 0.500 259 T N 4.519 119.071 114.554 -0.004 0.000 2.892 259 T HA 0.582 4.932 4.350 0.000 0.000 0.311 259 T C -0.266 174.371 174.700 -0.104 0.000 1.033 259 T CA -0.405 61.697 62.100 0.003 0.000 0.991 259 T CB 0.535 69.425 68.868 0.038 0.000 0.981 259 T HN 0.746 nan 8.240 nan 0.000 0.457 260 R N 1.924 122.302 120.500 -0.203 0.000 2.707 260 R HA 0.624 4.964 4.340 0.000 0.000 0.272 260 R C -1.302 174.757 176.300 -0.402 0.000 1.011 260 R CA -0.973 54.813 56.100 -0.524 0.000 0.893 260 R CB 2.746 32.300 30.300 -1.244 0.000 1.233 260 R HN 0.507 nan 8.270 nan 0.000 0.464 261 Q N 1.541 121.178 119.800 -0.271 0.000 2.309 261 Q HA 0.298 4.639 4.340 0.000 0.000 0.273 261 Q C -0.780 175.449 176.000 0.382 0.000 1.040 261 Q CA -0.793 55.110 55.803 0.167 0.000 0.834 261 Q CB 2.479 31.293 28.738 0.127 0.000 1.345 261 Q HN 0.557 nan 8.270 nan 0.000 0.414 262 V N 1.073 121.326 119.914 0.564 0.000 2.763 262 V HA 0.134 4.254 4.120 0.000 0.000 0.306 262 V C 1.172 177.625 176.094 0.598 0.000 1.059 262 V CA 0.817 63.432 62.300 0.525 0.000 1.138 262 V CB 0.693 32.666 31.823 0.250 0.000 0.940 262 V HN 1.027 nan 8.190 nan 0.000 0.489 263 T N 0.437 115.282 114.554 0.486 0.000 3.023 263 T HA 0.132 4.483 4.350 0.000 0.000 0.266 263 T C 0.425 175.335 174.700 0.350 0.000 1.093 263 T CA 0.824 63.156 62.100 0.386 0.000 1.129 263 T CB -0.401 68.600 68.868 0.221 0.000 0.899 263 T HN 0.863 nan 8.240 nan 0.000 0.491 264 E N -0.185 120.286 120.200 0.452 0.000 2.246 264 E HA 0.369 4.719 4.350 0.000 0.000 0.266 264 E C -0.901 176.120 176.600 0.701 0.000 0.880 264 E CA -0.760 55.845 56.400 0.341 0.000 0.762 264 E CB 1.419 31.204 29.700 0.142 0.000 1.180 264 E HN 0.018 nan 8.360 nan 0.000 0.416 265 Y N 1.316 121.940 120.300 0.539 0.000 2.516 265 Y HA 0.081 4.631 4.550 0.000 0.000 0.291 265 Y C 0.817 177.006 175.900 0.480 0.000 1.131 265 Y CA 0.679 59.040 58.100 0.434 0.000 1.281 265 Y CB 0.467 39.101 38.460 0.290 0.000 1.013 265 Y HN 0.263 nan 8.280 nan 0.000 0.554 266 R N 0.268 121.114 120.500 0.577 0.000 2.574 266 R HA 0.489 4.829 4.340 0.000 0.000 0.288 266 R C -1.279 175.156 176.300 0.225 0.000 1.004 266 R CA -0.660 55.706 56.100 0.443 0.000 0.895 266 R CB 1.162 31.654 30.300 0.320 0.000 1.191 266 R HN -0.025 nan 8.270 nan 0.000 0.444 267 R N 2.811 123.359 120.500 0.079 0.000 2.422 267 R HA 0.340 4.680 4.340 0.000 0.000 0.307 267 R C 0.283 176.545 176.300 -0.063 0.000 1.004 267 R CA 0.200 56.194 56.100 -0.178 0.000 0.882 267 R CB 1.891 31.817 30.300 -0.623 0.000 1.164 267 R HN 1.019 nan 8.270 nan 0.000 0.489 268 G N 2.672 111.458 108.800 -0.023 0.000 2.602 268 G HA2 -0.413 3.547 3.960 0.000 0.000 0.310 268 G HA3 -0.413 3.547 3.960 0.000 0.000 0.310 268 G C 0.533 175.473 174.900 0.066 0.000 1.183 268 G CA 0.267 45.365 45.100 -0.002 0.000 0.979 268 G HN 0.608 nan 8.290 nan 0.000 0.545 269 R N -0.314 120.195 120.500 0.016 0.000 2.427 269 R HA 0.446 4.786 4.340 0.000 0.000 0.262 269 R C -0.265 176.120 176.300 0.143 0.000 0.943 269 R CA 0.068 56.176 56.100 0.013 0.000 1.081 269 R CB 0.822 30.947 30.300 -0.291 0.000 1.166 269 R HN 0.241 nan 8.270 nan 0.000 0.534 270 V N 2.165 122.174 119.914 0.158 0.000 2.357 270 V HA 0.406 4.526 4.120 0.000 0.000 0.284 270 V C -0.134 176.168 176.094 0.348 0.000 1.018 270 V CA -0.630 61.801 62.300 0.219 0.000 0.841 270 V CB 1.654 33.603 31.823 0.210 0.000 0.991 270 V HN 0.112 nan 8.190 nan 0.000 0.437 271 I N 5.366 126.088 120.570 0.254 0.000 2.693 271 I HA 0.571 4.741 4.170 0.000 0.000 0.303 271 I C -0.623 175.531 176.117 0.061 0.000 1.025 271 I CA -0.678 60.755 61.300 0.221 0.000 1.086 271 I CB 2.139 40.203 38.000 0.106 0.000 1.268 271 I HN 0.336 nan 8.210 nan 0.000 0.440 272 L N 4.163 125.379 121.223 -0.010 0.000 2.342 272 L HA 0.907 5.247 4.340 0.000 0.000 0.271 272 L C -0.447 176.397 176.870 -0.044 0.000 1.008 272 L CA -0.681 54.035 54.840 -0.208 0.000 0.818 272 L CB 1.941 43.650 42.059 -0.585 0.000 1.296 272 L HN 0.705 nan 8.230 nan 0.000 0.427 273 A N 1.375 124.148 122.820 -0.078 0.000 2.455 273 A HA 0.888 5.208 4.320 0.000 0.000 0.300 273 A C -0.075 177.465 177.584 -0.074 0.000 1.040 273 A CA 0.128 52.194 52.037 0.048 0.000 0.697 273 A CB 1.643 20.703 19.000 0.100 0.000 1.265 273 A HN 1.074 nan 8.150 nan 0.000 0.407 274 G N 1.406 110.167 108.800 -0.066 0.000 2.508 274 G HA2 -0.114 3.846 3.960 0.000 0.000 0.220 274 G HA3 -0.114 3.846 3.960 0.000 0.000 0.220 274 G C 0.226 174.821 174.900 -0.509 0.000 1.287 274 G CA 0.555 45.585 45.100 -0.117 0.000 0.916 274 G HN 0.746 nan 8.290 nan 0.000 0.574 275 D N 0.628 120.883 120.400 -0.241 0.000 2.265 275 D HA -0.056 4.584 4.640 0.000 0.000 0.208 275 D C 2.759 178.898 176.300 -0.268 0.000 0.977 275 D CA 2.043 55.919 54.000 -0.206 0.000 0.871 275 D CB -0.309 40.454 40.800 -0.062 0.000 0.925 275 D HN 0.692 nan 8.370 nan 0.000 0.485 276 S N -0.300 115.209 115.700 -0.319 0.000 2.419 276 S HA -0.061 4.409 4.470 0.000 0.000 0.233 276 S C 1.953 176.242 174.600 -0.519 0.000 1.016 276 S CA 0.980 58.950 58.200 -0.383 0.000 0.974 276 S CB -0.039 62.951 63.200 -0.349 0.000 0.786 276 S HN 0.238 nan 8.310 nan 0.000 0.492 277 A N 1.214 123.703 122.820 -0.552 0.000 2.115 277 A HA 0.344 4.664 4.320 0.000 0.000 0.211 277 A C 0.511 178.063 177.584 -0.054 0.000 1.169 277 A CA 0.338 52.062 52.037 -0.522 0.000 0.787 277 A CB -0.230 18.237 19.000 -0.889 0.000 0.858 277 A HN 0.882 nan 8.150 nan 0.000 0.474 278 H N -1.678 117.489 119.070 0.161 0.000 3.099 278 H HA 0.633 5.189 4.556 0.000 0.000 0.342 278 H C -0.885 174.597 175.328 0.257 0.000 1.054 278 H CA -1.024 55.180 56.048 0.259 0.000 1.328 278 H CB -0.034 29.850 29.762 0.204 0.000 1.876 278 H HN 0.284 nan 8.280 nan 0.000 0.495 279 I N 0.346 121.126 120.570 0.350 0.000 2.846 279 I HA 0.903 5.073 4.170 0.000 0.000 0.307 279 I C -0.895 175.315 176.117 0.156 0.000 1.053 279 I CA -1.042 60.350 61.300 0.155 0.000 1.050 279 I CB 2.410 40.498 38.000 0.146 0.000 1.239 279 I HN 0.962 nan 8.210 nan 0.000 0.439 280 H N 1.901 121.032 119.070 0.102 0.000 2.935 280 H HA 0.451 5.007 4.556 0.000 0.000 0.297 280 H C -1.555 173.822 175.328 0.082 0.000 1.423 280 H CA -1.149 54.943 56.048 0.072 0.000 1.161 280 H CB 0.586 30.386 29.762 0.063 0.000 1.841 280 H HN 0.808 nan 8.280 nan 0.000 0.506 281 L N 2.347 123.713 121.223 0.239 0.000 2.499 281 L HA 0.294 4.634 4.340 0.000 0.000 0.273 281 L C -2.122 174.911 176.870 0.271 0.000 1.195 281 L CA -1.495 53.474 54.840 0.215 0.000 0.882 281 L CB 0.258 42.433 42.059 0.195 0.000 1.133 281 L HN 0.621 nan 8.230 nan 0.000 0.483 282 P HA 0.231 nan 4.420 nan 0.000 0.238 282 P C -1.333 175.995 177.300 0.047 0.000 1.794 282 P CA -0.113 63.015 63.100 0.047 0.000 1.088 282 P CB 0.198 31.774 31.700 -0.205 0.000 1.923 283 A N 1.354 124.263 122.820 0.148 0.000 2.318 283 A HA 0.695 5.015 4.320 0.000 0.000 0.317 283 A C 1.102 178.786 177.584 0.167 0.000 1.159 283 A CA -0.158 51.987 52.037 0.179 0.000 0.799 283 A CB 0.652 19.797 19.000 0.243 0.000 1.194 283 A HN 0.489 nan 8.150 nan 0.000 0.479 284 G N 1.261 110.196 108.800 0.224 0.000 2.159 284 G HA2 0.215 4.175 3.960 0.000 0.000 0.227 284 G HA3 0.215 4.175 3.960 0.000 0.000 0.227 284 G C 1.414 176.372 174.900 0.096 0.000 0.986 284 G CA 0.612 45.785 45.100 0.121 0.000 0.651 284 G HN 2.761 nan 8.290 nan 0.000 0.523 285 G N -0.888 107.985 108.800 0.121 0.000 2.359 285 G HA2 -0.083 3.877 3.960 0.000 0.000 0.298 285 G HA3 -0.083 3.877 3.960 0.000 0.000 0.298 285 G C 0.729 175.685 174.900 0.094 0.000 1.030 285 G CA 1.224 46.389 45.100 0.109 0.000 1.149 285 G HN 0.847 nan 8.290 nan 0.000 0.512 286 Q N -0.972 118.886 119.800 0.097 0.000 2.369 286 Q HA 0.144 4.485 4.340 0.000 0.000 0.254 286 Q C 2.579 178.649 176.000 0.117 0.000 0.858 286 Q CA 1.014 56.850 55.803 0.055 0.000 0.961 286 Q CB -0.048 28.655 28.738 -0.058 0.000 1.119 286 Q HN 0.597 nan 8.270 nan 0.000 0.538 287 G N 1.647 110.595 108.800 0.246 0.000 2.453 287 G HA2 -0.261 3.700 3.960 0.000 0.000 0.215 287 G HA3 -0.261 3.700 3.960 0.000 0.000 0.215 287 G C 1.472 176.508 174.900 0.227 0.000 1.201 287 G CA 0.960 46.264 45.100 0.339 0.000 0.784 287 G HN 0.263 nan 8.290 nan 0.000 0.545 288 M N 0.667 120.368 119.600 0.169 0.000 2.080 288 M HA -0.117 4.363 4.480 0.000 0.000 0.260 288 M C 2.353 178.730 176.300 0.127 0.000 1.068 288 M CA 1.688 57.077 55.300 0.147 0.000 1.109 288 M CB -0.372 32.314 32.600 0.144 0.000 1.342 288 M HN 0.159 nan 8.290 nan 0.000 0.405 289 N N -0.172 118.590 118.700 0.103 0.000 2.069 289 N HA -0.142 4.598 4.740 0.000 0.000 0.191 289 N C 1.595 177.136 175.510 0.052 0.000 1.031 289 N CA 2.241 55.319 53.050 0.046 0.000 0.852 289 N CB -0.729 37.779 38.487 0.035 0.000 1.018 289 N HN 0.456 nan 8.380 nan 0.000 0.423 290 T N 0.759 115.359 114.554 0.078 0.000 2.788 290 T HA -0.030 4.320 4.350 0.000 0.000 0.268 290 T C 2.204 177.015 174.700 0.186 0.000 1.044 290 T CA 1.017 63.165 62.100 0.080 0.000 1.139 290 T CB -0.132 68.724 68.868 -0.020 0.000 0.867 290 T HN 0.193 nan 8.240 nan 0.000 0.454 291 S N 1.103 116.944 115.700 0.235 0.000 2.355 291 S HA 0.065 4.535 4.470 0.000 0.000 0.222 291 S C 2.056 176.766 174.600 0.184 0.000 1.031 291 S CA 0.707 59.054 58.200 0.245 0.000 0.993 291 S CB -0.368 62.952 63.200 0.200 0.000 0.859 291 S HN 0.408 nan 8.310 nan 0.000 0.453 292 I N 1.683 122.341 120.570 0.147 0.000 2.208 292 I HA -0.281 3.889 4.170 0.000 0.000 0.245 292 I C 2.613 178.811 176.117 0.135 0.000 1.097 292 I CA 1.384 62.766 61.300 0.137 0.000 1.363 292 I CB -0.365 37.687 38.000 0.086 0.000 1.051 292 I HN 0.341 nan 8.210 nan 0.000 0.413 293 Q N 0.170 120.037 119.800 0.113 0.000 2.230 293 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 293 Q C 1.726 177.849 176.000 0.204 0.000 0.963 293 Q CA 1.116 56.998 55.803 0.131 0.000 0.866 293 Q CB -0.031 28.760 28.738 0.088 0.000 0.931 293 Q HN 0.462 nan 8.270 nan 0.000 0.452 294 D N 0.769 121.319 120.400 0.249 0.000 2.104 294 D HA -0.171 4.469 4.640 0.000 0.000 0.194 294 D C 1.797 178.297 176.300 0.332 0.000 0.994 294 D CA 1.511 55.732 54.000 0.368 0.000 0.830 294 D CB -0.234 40.826 40.800 0.432 0.000 0.959 294 D HN 0.268 nan 8.370 nan 0.000 0.452 295 A N 0.526 123.478 122.820 0.219 0.000 1.940 295 A HA -0.143 4.177 4.320 0.000 0.000 0.219 295 A C 2.527 180.209 177.584 0.163 0.000 1.176 295 A CA 1.245 53.367 52.037 0.142 0.000 0.631 295 A CB -0.664 18.422 19.000 0.144 0.000 0.814 295 A HN 0.167 nan 8.150 nan 0.000 0.446 296 V N 0.958 120.998 119.914 0.211 0.000 2.427 296 V HA -0.217 3.903 4.120 0.000 0.000 0.248 296 V C 2.482 178.772 176.094 0.327 0.000 1.051 296 V CA 1.950 64.403 62.300 0.255 0.000 1.048 296 V CB -0.879 31.075 31.823 0.218 0.000 0.666 296 V HN 0.729 nan 8.190 nan 0.000 0.456 297 N N 0.249 119.121 118.700 0.285 0.000 2.120 297 N HA -0.154 4.586 4.740 0.000 0.000 0.188 297 N C 1.852 177.390 175.510 0.047 0.000 1.024 297 N CA 1.573 54.784 53.050 0.268 0.000 0.852 297 N CB 0.020 38.645 38.487 0.231 0.000 1.003 297 N HN 0.418 nan 8.380 nan 0.000 0.424 298 L N 0.962 122.162 121.223 -0.038 0.000 2.068 298 L HA 0.190 4.530 4.340 0.000 0.000 0.204 298 L C 2.300 178.974 176.870 -0.327 0.000 1.076 298 L CA 1.800 56.395 54.840 -0.408 0.000 0.753 298 L CB -1.237 40.387 42.059 -0.725 0.000 0.910 298 L HN 0.123 nan 8.230 nan 0.000 0.439 299 G N 0.375 109.114 108.800 -0.102 0.000 2.529 299 G HA2 -0.336 3.624 3.960 0.000 0.000 0.219 299 G HA3 -0.336 3.624 3.960 0.000 0.000 0.219 299 G C 1.426 176.335 174.900 0.014 0.000 1.177 299 G CA 1.179 46.269 45.100 -0.017 0.000 0.773 299 G HN 0.709 nan 8.290 nan 0.000 0.573 300 W N 1.370 122.675 121.300 0.008 0.000 2.402 300 W HA 0.083 4.744 4.660 0.000 0.000 0.286 300 W C 1.897 178.418 176.519 0.002 0.000 1.221 300 W CA 1.089 58.450 57.345 0.026 0.000 1.257 300 W CB -0.637 28.858 29.460 0.058 0.000 1.120 300 W HN 0.230 nan 8.180 nan 0.000 0.551 301 K N 0.675 120.581 120.400 -0.822 0.000 2.001 301 K HA -0.158 4.162 4.320 0.000 0.000 0.208 301 K C 2.208 178.573 176.600 -0.391 0.000 1.048 301 K CA 1.503 57.320 56.287 -0.783 0.000 0.932 301 K CB -0.716 31.234 32.500 -0.917 0.000 0.715 301 K HN -0.009 nan 8.250 nan 0.000 0.437 302 L N 1.357 122.357 121.223 -0.372 0.000 2.079 302 L HA -0.081 4.259 4.340 0.000 0.000 0.210 302 L C 2.120 178.862 176.870 -0.214 0.000 1.081 302 L CA 1.948 56.580 54.840 -0.346 0.000 0.752 302 L CB -1.053 40.789 42.059 -0.361 0.000 0.896 302 L HN 0.243 nan 8.230 nan 0.000 0.433 303 G N -1.095 107.637 108.800 -0.113 0.000 2.446 303 G HA2 -0.284 3.676 3.960 0.000 0.000 0.217 303 G HA3 -0.284 3.676 3.960 0.000 0.000 0.217 303 G C 1.610 176.519 174.900 0.015 0.000 1.168 303 G CA 0.887 45.978 45.100 -0.016 0.000 0.771 303 G HN 0.632 nan 8.290 nan 0.000 0.551 304 A N -0.035 122.804 122.820 0.032 0.000 1.933 304 A HA 0.095 4.415 4.320 0.000 0.000 0.218 304 A C 2.612 180.208 177.584 0.021 0.000 1.175 304 A CA 1.840 53.919 52.037 0.071 0.000 0.628 304 A CB -0.540 18.534 19.000 0.124 0.000 0.814 304 A HN 0.268 nan 8.150 nan 0.000 0.444 305 V N -0.482 119.400 119.914 -0.054 0.000 2.307 305 V HA -0.219 3.901 4.120 0.000 0.000 0.245 305 V C 2.564 178.661 176.094 0.005 0.000 1.045 305 V CA 1.936 64.205 62.300 -0.051 0.000 1.024 305 V CB -0.836 30.893 31.823 -0.158 0.000 0.651 305 V HN 0.361 nan 8.190 nan 0.000 0.449 306 V N 0.737 120.642 119.914 -0.015 0.000 2.332 306 V HA -0.248 3.873 4.120 0.000 0.000 0.248 306 V C 2.127 178.253 176.094 0.054 0.000 1.055 306 V CA 2.085 64.416 62.300 0.052 0.000 1.038 306 V CB -0.829 31.016 31.823 0.036 0.000 0.651 306 V HN 0.584 nan 8.190 nan 0.000 0.450 307 N N 0.073 118.800 118.700 0.045 0.000 2.571 307 N HA 0.009 4.749 4.740 0.000 0.000 0.189 307 N C 1.600 177.143 175.510 0.056 0.000 1.154 307 N CA 1.067 54.149 53.050 0.054 0.000 0.907 307 N CB 0.360 38.887 38.487 0.067 0.000 0.977 307 N HN 0.628 nan 8.380 nan 0.000 0.449 308 G N 0.127 108.959 108.800 0.055 0.000 2.162 308 G HA2 -0.337 3.623 3.960 0.000 0.000 0.260 308 G HA3 -0.337 3.623 3.960 0.000 0.000 0.260 308 G C 1.063 175.998 174.900 0.058 0.000 0.976 308 G CA 1.203 46.334 45.100 0.052 0.000 0.655 308 G HN 0.491 nan 8.290 nan 0.000 0.533 309 T N -3.122 111.478 114.554 0.076 0.000 3.057 309 T HA 0.661 5.011 4.350 0.000 0.000 0.254 309 T C 1.036 175.803 174.700 0.111 0.000 1.094 309 T CA 1.516 63.678 62.100 0.102 0.000 1.088 309 T CB 0.556 69.509 68.868 0.143 0.000 0.934 309 T HN 1.699 nan 8.240 nan 0.000 0.497 310 A N 1.722 124.590 122.820 0.080 0.000 2.413 310 A HA 0.724 5.044 4.320 0.000 0.000 0.307 310 A C 0.341 177.940 177.584 0.024 0.000 1.087 310 A CA -0.646 51.423 52.037 0.055 0.000 0.750 310 A CB 1.396 20.418 19.000 0.036 0.000 1.296 310 A HN 0.438 nan 8.150 nan 0.000 0.423 311 T N -1.341 113.220 114.554 0.011 0.000 2.824 311 T HA 0.344 4.694 4.350 0.000 0.000 0.277 311 T C 0.549 175.240 174.700 -0.015 0.000 0.975 311 T CA -0.091 62.011 62.100 0.004 0.000 0.966 311 T CB 0.693 69.561 68.868 0.000 0.000 1.054 311 T HN 0.608 nan 8.240 nan 0.000 0.533 312 E N -0.147 120.053 120.200 -0.000 0.000 2.472 312 E HA -0.099 4.251 4.350 0.000 0.000 0.200 312 E C 1.833 178.421 176.600 -0.020 0.000 1.046 312 E CA 0.399 56.797 56.400 -0.002 0.000 0.871 312 E CB 0.016 29.740 29.700 0.039 0.000 0.806 312 E HN 0.734 nan 8.360 nan 0.000 0.533 313 E N 0.632 120.811 120.200 -0.035 0.000 2.058 313 E HA -0.227 4.123 4.350 0.000 0.000 0.194 313 E C 2.047 178.598 176.600 -0.081 0.000 0.997 313 E CA 0.812 57.177 56.400 -0.058 0.000 0.801 313 E CB -0.052 29.600 29.700 -0.080 0.000 0.746 313 E HN 0.117 nan 8.360 nan 0.000 0.450 314 L N 0.830 121.994 121.223 -0.099 0.000 2.012 314 L HA -0.193 4.147 4.340 0.000 0.000 0.210 314 L C 2.191 179.002 176.870 -0.099 0.000 1.073 314 L CA 1.413 56.185 54.840 -0.113 0.000 0.748 314 L CB -0.485 41.502 42.059 -0.120 0.000 0.891 314 L HN 0.150 nan 8.230 nan 0.000 0.431 315 L N -0.443 120.725 121.223 -0.092 0.000 2.083 315 L HA -0.202 4.139 4.340 0.000 0.000 0.209 315 L C 2.012 178.901 176.870 0.031 0.000 1.083 315 L CA 1.738 56.534 54.840 -0.074 0.000 0.752 315 L CB -1.006 41.002 42.059 -0.084 0.000 0.899 315 L HN 0.334 nan 8.230 nan 0.000 0.433 316 D N -1.153 119.265 120.400 0.030 0.000 2.218 316 D HA -0.148 4.492 4.640 0.000 0.000 0.204 316 D C 2.344 178.691 176.300 0.078 0.000 0.976 316 D CA 1.329 55.370 54.000 0.067 0.000 0.853 316 D CB -0.061 40.756 40.800 0.028 0.000 0.939 316 D HN 0.543 nan 8.370 nan 0.000 0.481 317 S N -0.633 115.092 115.700 0.042 0.000 2.481 317 S HA -0.164 4.306 4.470 0.000 0.000 0.231 317 S C 2.023 176.608 174.600 -0.026 0.000 0.996 317 S CA 0.095 58.318 58.200 0.037 0.000 0.942 317 S CB -0.443 62.852 63.200 0.158 0.000 0.768 317 S HN 0.336 nan 8.310 nan 0.000 0.520 318 Y N 2.439 122.677 120.300 -0.104 0.000 2.133 318 Y HA -0.107 4.443 4.550 0.000 0.000 0.287 318 Y C 2.437 178.275 175.900 -0.103 0.000 1.134 318 Y CA 1.950 59.975 58.100 -0.125 0.000 1.133 318 Y CB -1.203 37.209 38.460 -0.081 0.000 0.987 318 Y HN 0.495 nan 8.280 nan 0.000 0.502 319 H N 0.066 119.019 119.070 -0.195 0.000 2.289 319 H HA -0.186 4.370 4.556 0.000 0.000 0.296 319 H C 2.400 177.510 175.328 -0.363 0.000 1.091 319 H CA 2.927 58.792 56.048 -0.304 0.000 1.274 319 H CB -0.628 29.113 29.762 -0.034 0.000 1.364 319 H HN 0.414 nan 8.280 nan 0.000 0.490 320 S N -0.255 115.255 115.700 -0.318 0.000 2.368 320 S HA -0.163 4.308 4.470 0.000 0.000 0.224 320 S C 2.036 176.429 174.600 -0.345 0.000 1.029 320 S CA 1.303 59.315 58.200 -0.313 0.000 0.988 320 S CB -0.248 62.912 63.200 -0.068 0.000 0.838 320 S HN 0.665 nan 8.310 nan 0.000 0.462 321 E N 0.825 120.810 120.200 -0.359 0.000 2.046 321 E HA -0.005 4.345 4.350 0.000 0.000 0.190 321 E C 2.477 178.852 176.600 -0.375 0.000 0.982 321 E CA 0.809 56.975 56.400 -0.390 0.000 0.800 321 E CB -0.026 29.206 29.700 -0.779 0.000 0.756 321 E HN 0.310 nan 8.360 nan 0.000 0.449 322 R N 0.087 120.238 120.500 -0.582 0.000 2.161 322 R HA -0.021 4.319 4.340 0.000 0.000 0.213 322 R C 2.183 178.014 176.300 -0.781 0.000 1.055 322 R CA 0.732 56.487 56.100 -0.575 0.000 0.996 322 R CB -0.761 29.169 30.300 -0.616 0.000 0.901 322 R HN 0.367 nan 8.270 nan 0.000 0.456 323 H N 1.058 119.382 119.070 -1.243 0.000 2.387 323 H HA -0.015 4.541 4.556 0.000 0.000 0.299 323 H C 1.559 176.651 175.328 -0.393 0.000 1.090 323 H CA 1.774 57.261 56.048 -0.935 0.000 1.332 323 H CB 0.351 29.538 29.762 -0.959 0.000 1.386 323 H HN 0.151 nan 8.280 nan 0.000 0.516 324 A N 0.373 123.055 122.820 -0.230 0.000 1.902 324 A HA -0.099 4.221 4.320 0.000 0.000 0.217 324 A C 2.880 180.394 177.584 -0.117 0.000 1.181 324 A CA 1.566 53.541 52.037 -0.104 0.000 0.623 324 A CB -0.873 18.093 19.000 -0.057 0.000 0.818 324 A HN 0.292 nan 8.150 nan 0.000 0.443 325 V N -0.091 119.747 119.914 -0.126 0.000 2.343 325 V HA -0.168 3.952 4.120 0.000 0.000 0.247 325 V C 2.792 178.795 176.094 -0.153 0.000 1.051 325 V CA 1.935 64.175 62.300 -0.099 0.000 1.036 325 V CB -1.384 30.413 31.823 -0.043 0.000 0.654 325 V HN 0.614 nan 8.190 nan 0.000 0.451 326 G N -0.704 107.982 108.800 -0.191 0.000 2.422 326 G HA2 -0.280 3.680 3.960 0.000 0.000 0.218 326 G HA3 -0.280 3.680 3.960 0.000 0.000 0.218 326 G C 1.644 176.431 174.900 -0.187 0.000 1.140 326 G CA 0.947 45.924 45.100 -0.205 0.000 0.775 326 G HN 0.481 nan 8.290 nan 0.000 0.545 327 K N 0.071 120.345 120.400 -0.211 0.000 2.057 327 K HA -0.029 4.291 4.320 0.000 0.000 0.207 327 K C 2.554 179.103 176.600 -0.086 0.000 1.049 327 K CA 1.031 57.235 56.287 -0.138 0.000 0.931 327 K CB -0.128 32.313 32.500 -0.098 0.000 0.714 327 K HN 0.207 nan 8.250 nan 0.000 0.440 328 R N 0.411 120.857 120.500 -0.089 0.000 2.075 328 R HA -0.117 4.223 4.340 0.000 0.000 0.232 328 R C 2.327 178.576 176.300 -0.086 0.000 1.126 328 R CA 1.148 57.208 56.100 -0.067 0.000 0.963 328 R CB -0.313 29.947 30.300 -0.067 0.000 0.858 328 R HN 0.182 nan 8.270 nan 0.000 0.435 329 L N 0.988 122.126 121.223 -0.142 0.000 2.013 329 L HA -0.207 4.133 4.340 0.000 0.000 0.212 329 L C 1.813 178.562 176.870 -0.203 0.000 1.073 329 L CA 1.834 56.547 54.840 -0.210 0.000 0.753 329 L CB -0.447 41.422 42.059 -0.316 0.000 0.890 329 L HN 0.237 nan 8.230 nan 0.000 0.432 330 L N -1.302 119.840 121.223 -0.136 0.000 2.046 330 L HA -0.239 4.101 4.340 0.000 0.000 0.208 330 L C 2.659 179.508 176.870 -0.034 0.000 1.077 330 L CA 1.890 56.689 54.840 -0.067 0.000 0.747 330 L CB -0.676 41.371 42.059 -0.020 0.000 0.896 330 L HN 0.492 nan 8.230 nan 0.000 0.432 331 M N 0.406 119.993 119.600 -0.023 0.000 2.086 331 M HA -0.243 4.237 4.480 0.000 0.000 0.261 331 M C 2.141 178.464 176.300 0.037 0.000 1.067 331 M CA 2.099 57.408 55.300 0.015 0.000 1.116 331 M CB -0.285 32.329 32.600 0.024 0.000 1.348 331 M HN 0.248 nan 8.290 nan 0.000 0.407 332 N N 0.321 119.036 118.700 0.024 0.000 2.025 332 N HA -0.178 4.562 4.740 0.000 0.000 0.194 332 N C 1.714 177.208 175.510 -0.027 0.000 1.044 332 N CA 3.045 56.133 53.050 0.063 0.000 0.851 332 N CB -0.768 37.737 38.487 0.030 0.000 1.036 332 N HN 0.609 nan 8.380 nan 0.000 0.422 333 T N -1.757 112.753 114.554 -0.072 0.000 2.777 333 T HA -0.109 4.241 4.350 0.000 0.000 0.266 333 T C 1.909 176.610 174.700 0.001 0.000 1.040 333 T CA 1.220 63.289 62.100 -0.052 0.000 1.141 333 T CB -0.545 68.270 68.868 -0.089 0.000 0.868 333 T HN 0.291 nan 8.240 nan 0.000 0.444 334 Q N 1.014 120.822 119.800 0.013 0.000 2.084 334 Q HA 0.061 4.401 4.340 0.000 0.000 0.202 334 Q C 2.844 178.858 176.000 0.024 0.000 0.978 334 Q CA 1.432 57.256 55.803 0.034 0.000 0.844 334 Q CB -0.473 28.286 28.738 0.036 0.000 0.898 334 Q HN 0.734 nan 8.270 nan 0.000 0.426 335 A N 1.081 123.913 122.820 0.021 0.000 1.877 335 A HA -0.245 4.075 4.320 0.000 0.000 0.216 335 A C 2.001 179.523 177.584 -0.102 0.000 1.186 335 A CA 1.419 53.477 52.037 0.035 0.000 0.620 335 A CB -0.494 18.618 19.000 0.186 0.000 0.822 335 A HN 0.330 nan 8.150 nan 0.000 0.443 336 Q N -0.866 118.757 119.800 -0.295 0.000 2.084 336 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 336 Q C 2.235 178.188 176.000 -0.078 0.000 0.978 336 Q CA 1.247 56.791 55.803 -0.432 0.000 0.844 336 Q CB -0.438 28.023 28.738 -0.461 0.000 0.898 336 Q HN 0.695 nan 8.270 nan 0.000 0.426 337 G N 1.127 109.964 108.800 0.061 0.000 2.418 337 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 337 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 337 G C 1.458 176.432 174.900 0.123 0.000 1.158 337 G CA 0.485 45.686 45.100 0.168 0.000 0.771 337 G HN 0.165 nan 8.290 nan 0.000 0.545 338 L N -0.121 121.137 121.223 0.059 0.000 2.042 338 L HA -0.077 4.263 4.340 0.000 0.000 0.210 338 L C 2.923 179.818 176.870 0.042 0.000 1.076 338 L CA 0.778 55.647 54.840 0.048 0.000 0.749 338 L CB -0.393 41.688 42.059 0.037 0.000 0.893 338 L HN 0.192 nan 8.230 nan 0.000 0.432 339 L N -1.770 119.450 121.223 -0.005 0.000 2.056 339 L HA -0.202 4.138 4.340 0.000 0.000 0.207 339 L C 2.458 179.316 176.870 -0.020 0.000 1.078 339 L CA 1.356 56.168 54.840 -0.047 0.000 0.749 339 L CB -0.489 41.490 42.059 -0.133 0.000 0.901 339 L HN 0.122 nan 8.230 nan 0.000 0.433 340 F N -0.326 119.621 119.950 -0.005 0.000 2.113 340 F HA -0.195 4.332 4.527 0.000 0.000 0.297 340 F C 2.101 177.900 175.800 -0.001 0.000 1.103 340 F CA 1.018 59.017 58.000 -0.002 0.000 1.248 340 F CB 0.135 39.138 39.000 0.005 0.000 0.999 340 F HN -0.037 nan 8.300 nan 0.000 0.475 341 L N -1.771 119.582 121.223 0.216 0.000 2.609 341 L HA 0.130 4.470 4.340 0.000 0.000 0.230 341 L C 0.740 177.647 176.870 0.062 0.000 1.087 341 L CA -0.185 54.723 54.840 0.113 0.000 0.874 341 L CB -0.055 42.055 42.059 0.086 0.000 1.114 341 L HN -0.143 nan 8.230 nan 0.000 0.488 342 S N 0.131 115.867 115.700 0.060 0.000 2.614 342 S HA 0.406 4.876 4.470 0.000 0.000 0.265 342 S C 0.709 175.325 174.600 0.028 0.000 1.303 342 S CA -0.238 57.983 58.200 0.035 0.000 1.000 342 S CB 1.413 64.632 63.200 0.032 0.000 0.935 342 S HN 0.266 nan 8.310 nan 0.000 0.551 343 G N 1.004 109.813 108.800 0.016 0.000 2.486 343 G HA2 0.238 4.198 3.960 0.000 0.000 0.272 343 G HA3 0.238 4.198 3.960 0.000 0.000 0.272 343 G C -1.858 173.049 174.900 0.011 0.000 1.426 343 G CA -0.935 44.171 45.100 0.010 0.000 1.058 343 G HN 0.457 nan 8.290 nan 0.000 0.531 344 P HA -0.104 nan 4.420 nan 0.000 0.220 344 P C 1.454 178.758 177.300 0.007 0.000 1.144 344 P CA 1.392 64.495 63.100 0.005 0.000 0.800 344 P CB 0.120 31.820 31.700 0.000 0.000 0.772 345 E N -0.312 119.892 120.200 0.007 0.000 2.147 345 E HA -0.171 4.179 4.350 0.000 0.000 0.199 345 E C 1.255 177.861 176.600 0.011 0.000 1.005 345 E CA 1.172 57.576 56.400 0.008 0.000 0.810 345 E CB -0.221 29.484 29.700 0.008 0.000 0.736 345 E HN 0.044 nan 8.360 nan 0.000 0.460 346 V N 0.791 120.714 119.914 0.014 0.000 3.649 346 V HA -0.071 4.049 4.120 0.000 0.000 0.275 346 V C 1.884 177.987 176.094 0.016 0.000 1.281 346 V CA 0.660 62.970 62.300 0.017 0.000 1.143 346 V CB 0.075 31.910 31.823 0.021 0.000 0.892 346 V HN 0.206 nan 8.190 nan 0.000 0.441 347 Q N 1.498 121.305 119.800 0.013 0.000 2.077 347 Q HA -0.183 4.158 4.340 0.000 0.000 0.206 347 Q C -0.248 175.759 176.000 0.011 0.000 0.989 347 Q CA 2.512 58.321 55.803 0.011 0.000 0.853 347 Q CB -1.361 27.381 28.738 0.008 0.000 0.907 347 Q HN 0.421 nan 8.270 nan 0.000 0.418 348 P HA -0.169 nan 4.420 nan 0.000 0.216 348 P C 0.929 178.237 177.300 0.014 0.000 1.153 348 P CA 1.271 64.378 63.100 0.011 0.000 0.858 348 P CB -0.088 31.618 31.700 0.010 0.000 0.789 349 L N -1.429 119.805 121.223 0.018 0.000 2.109 349 L HA -0.106 4.234 4.340 0.000 0.000 0.207 349 L C 2.629 179.516 176.870 0.028 0.000 1.086 349 L CA 1.309 56.163 54.840 0.024 0.000 0.760 349 L CB -0.532 41.544 42.059 0.028 0.000 0.910 349 L HN -0.101 nan 8.230 nan 0.000 0.437 350 R N 0.058 120.572 120.500 0.023 0.000 2.083 350 R HA -0.177 4.164 4.340 0.000 0.000 0.237 350 R C 1.884 178.196 176.300 0.020 0.000 1.137 350 R CA 1.715 57.828 56.100 0.022 0.000 0.951 350 R CB -0.470 29.836 30.300 0.011 0.000 0.851 350 R HN 0.355 nan 8.270 nan 0.000 0.434 351 D N 0.175 120.584 120.400 0.014 0.000 2.117 351 D HA -0.109 4.531 4.640 0.000 0.000 0.197 351 D C 2.038 178.344 176.300 0.010 0.000 0.987 351 D CA 0.986 54.992 54.000 0.009 0.000 0.829 351 D CB -0.276 40.528 40.800 0.007 0.000 0.961 351 D HN -0.004 nan 8.370 nan 0.000 0.460 352 V N 1.032 120.955 119.914 0.015 0.000 2.287 352 V HA -0.213 3.907 4.120 0.000 0.000 0.248 352 V C 2.456 178.563 176.094 0.021 0.000 1.053 352 V CA 1.050 63.361 62.300 0.018 0.000 1.027 352 V CB -0.347 31.488 31.823 0.019 0.000 0.646 352 V HN 0.160 nan 8.190 nan 0.000 0.447 353 L N -0.036 121.202 121.223 0.025 0.000 2.083 353 L HA -0.132 4.208 4.340 0.000 0.000 0.209 353 L C 2.561 179.443 176.870 0.019 0.000 1.083 353 L CA 2.209 57.065 54.840 0.026 0.000 0.752 353 L CB -1.435 40.655 42.059 0.053 0.000 0.899 353 L HN 0.367 nan 8.230 nan 0.000 0.433 354 T N -0.698 113.865 114.554 0.017 0.000 2.684 354 T HA -0.202 4.149 4.350 0.000 0.000 0.267 354 T C 1.717 176.401 174.700 -0.027 0.000 1.036 354 T CA 1.584 63.685 62.100 0.003 0.000 1.148 354 T CB -0.088 68.781 68.868 0.002 0.000 0.863 354 T HN 0.438 nan 8.240 nan 0.000 0.436 355 E N 0.730 120.913 120.200 -0.028 0.000 2.077 355 E HA -0.065 4.285 4.350 0.000 0.000 0.193 355 E C 2.261 178.800 176.600 -0.102 0.000 0.989 355 E CA 0.876 57.236 56.400 -0.068 0.000 0.800 355 E CB -0.299 29.386 29.700 -0.026 0.000 0.746 355 E HN 0.429 nan 8.360 nan 0.000 0.452 356 L N 0.652 121.878 121.223 0.006 0.000 2.131 356 L HA -0.159 4.181 4.340 0.000 0.000 0.210 356 L C 2.419 179.320 176.870 0.052 0.000 1.092 356 L CA 0.771 55.677 54.840 0.110 0.000 0.759 356 L CB -0.339 41.777 42.059 0.094 0.000 0.903 356 L HN 0.165 nan 8.230 nan 0.000 0.435 357 I N -0.450 120.112 120.570 -0.013 0.000 2.567 357 I HA -0.243 3.927 4.170 0.000 0.000 0.257 357 I C 2.359 178.446 176.117 -0.050 0.000 1.184 357 I CA 0.692 61.986 61.300 -0.009 0.000 1.451 357 I CB -0.155 37.852 38.000 0.011 0.000 1.089 357 I HN 0.343 nan 8.210 nan 0.000 0.441 358 Q N -0.103 119.598 119.800 -0.166 0.000 2.437 358 Q HA -0.042 4.298 4.340 0.000 0.000 0.210 358 Q C -0.122 175.711 176.000 -0.279 0.000 0.972 358 Q CA 0.788 56.444 55.803 -0.245 0.000 0.903 358 Q CB -0.254 28.285 28.738 -0.331 0.000 0.967 358 Q HN 0.490 nan 8.270 nan 0.000 0.486 359 Y N -0.686 119.608 120.300 -0.011 0.000 2.316 359 Y HA 0.259 4.809 4.550 0.000 0.000 0.331 359 Y C 1.735 177.627 175.900 -0.013 0.000 1.083 359 Y CA -0.333 57.758 58.100 -0.016 0.000 1.206 359 Y CB 1.047 39.491 38.460 -0.027 0.000 1.195 359 Y HN 0.014 nan 8.280 nan 0.000 0.497 360 G N 2.147 111.035 108.800 0.146 0.000 2.469 360 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 360 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 360 G C 1.221 176.157 174.900 0.061 0.000 1.150 360 G CA 1.016 46.162 45.100 0.077 0.000 0.763 360 G HN 0.792 nan 8.290 nan 0.000 0.561 361 E N -0.150 120.087 120.200 0.061 0.000 2.085 361 E HA -0.110 4.240 4.350 0.000 0.000 0.194 361 E C 2.718 179.342 176.600 0.039 0.000 0.994 361 E CA 1.124 57.542 56.400 0.030 0.000 0.801 361 E CB -0.155 29.543 29.700 -0.004 0.000 0.743 361 E HN 0.342 nan 8.360 nan 0.000 0.453 362 V N 1.315 121.260 119.914 0.051 0.000 2.270 362 V HA -0.252 3.869 4.120 0.000 0.000 0.245 362 V C 2.351 178.457 176.094 0.020 0.000 1.043 362 V CA 1.774 64.088 62.300 0.024 0.000 1.014 362 V CB -0.806 31.047 31.823 0.049 0.000 0.645 362 V HN 0.331 nan 8.190 nan 0.000 0.447 363 A N 0.229 123.070 122.820 0.035 0.000 1.892 363 A HA -0.272 4.048 4.320 0.000 0.000 0.218 363 A C 2.371 179.947 177.584 -0.014 0.000 1.188 363 A CA 2.170 54.227 52.037 0.034 0.000 0.631 363 A CB -0.557 18.477 19.000 0.057 0.000 0.822 363 A HN 0.526 nan 8.150 nan 0.000 0.447 364 R N -1.970 118.521 120.500 -0.015 0.000 2.096 364 R HA -0.145 4.195 4.340 0.000 0.000 0.235 364 R C 2.250 178.485 176.300 -0.107 0.000 1.127 364 R CA 1.567 57.626 56.100 -0.067 0.000 0.968 364 R CB -0.583 29.694 30.300 -0.038 0.000 0.861 364 R HN 0.822 nan 8.270 nan 0.000 0.440 365 H N 0.965 119.951 119.070 -0.139 0.000 2.290 365 H HA -0.072 4.484 4.556 0.000 0.000 0.298 365 H C 1.996 177.191 175.328 -0.222 0.000 1.087 365 H CA 1.847 57.797 56.048 -0.162 0.000 1.291 365 H CB -0.071 29.605 29.762 -0.144 0.000 1.369 365 H HN 0.037 nan 8.280 nan 0.000 0.492 366 L N -0.440 120.714 121.223 -0.116 0.000 2.056 366 L HA -0.108 4.232 4.340 0.000 0.000 0.207 366 L C 2.866 179.536 176.870 -0.334 0.000 1.078 366 L CA 0.842 55.536 54.840 -0.243 0.000 0.749 366 L CB -0.657 41.238 42.059 -0.274 0.000 0.901 366 L HN 0.421 nan 8.230 nan 0.000 0.433 367 A N 0.503 123.018 122.820 -0.508 0.000 1.940 367 A HA -0.155 4.165 4.320 0.000 0.000 0.219 367 A C 2.392 179.561 177.584 -0.692 0.000 1.176 367 A CA 1.830 53.201 52.037 -1.111 0.000 0.631 367 A CB -1.206 17.262 19.000 -0.887 0.000 0.814 367 A HN 0.456 nan 8.150 nan 0.000 0.446 368 G N -0.867 107.669 108.800 -0.439 0.000 2.408 368 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 368 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 368 G C 1.638 176.356 174.900 -0.304 0.000 1.150 368 G CA 1.116 46.009 45.100 -0.345 0.000 0.776 368 G HN 0.475 nan 8.290 nan 0.000 0.542 369 M N -0.050 119.368 119.600 -0.303 0.000 2.099 369 M HA -0.033 4.447 4.480 0.000 0.000 0.262 369 M C 2.676 178.910 176.300 -0.110 0.000 1.067 369 M CA 0.997 56.184 55.300 -0.188 0.000 1.124 369 M CB -0.259 32.266 32.600 -0.125 0.000 1.353 369 M HN 0.104 nan 8.290 nan 0.000 0.410 370 V N 0.043 119.891 119.914 -0.110 0.000 2.379 370 V HA -0.194 3.926 4.120 0.000 0.000 0.245 370 V C 2.459 178.533 176.094 -0.034 0.000 1.044 370 V CA 2.073 64.371 62.300 -0.003 0.000 1.036 370 V CB -0.853 31.070 31.823 0.167 0.000 0.664 370 V HN 0.592 nan 8.190 nan 0.000 0.453 371 S N 0.085 115.698 115.700 -0.146 0.000 2.453 371 S HA 0.120 4.590 4.470 0.000 0.000 0.231 371 S C 1.816 176.351 174.600 -0.108 0.000 1.005 371 S CA 1.014 59.151 58.200 -0.106 0.000 0.949 371 S CB 0.169 63.259 63.200 -0.183 0.000 0.774 371 S HN 1.191 nan 8.310 nan 0.000 0.510 372 G N 1.179 109.902 108.800 -0.127 0.000 2.179 372 G HA2 -0.261 3.699 3.960 0.000 0.000 0.260 372 G HA3 -0.261 3.699 3.960 0.000 0.000 0.260 372 G C 0.610 175.424 174.900 -0.143 0.000 0.977 372 G CA 0.438 45.467 45.100 -0.118 0.000 0.641 372 G HN 0.536 nan 8.290 nan 0.000 0.533 373 L N 0.940 122.061 121.223 -0.170 0.000 2.362 373 L HA 0.029 4.370 4.340 0.000 0.000 0.219 373 L C 2.755 179.514 176.870 -0.185 0.000 1.134 373 L CA 1.790 56.523 54.840 -0.179 0.000 0.807 373 L CB -0.362 41.590 42.059 -0.180 0.000 0.927 373 L HN 0.729 nan 8.230 nan 0.000 0.447 374 E N 0.866 120.948 120.200 -0.196 0.000 2.347 374 E HA -0.095 4.255 4.350 0.000 0.000 0.196 374 E C 0.870 177.364 176.600 -0.178 0.000 1.008 374 E CA 0.182 56.462 56.400 -0.200 0.000 0.852 374 E CB -0.125 29.428 29.700 -0.246 0.000 0.783 374 E HN 0.429 nan 8.360 nan 0.000 0.505 375 I N 2.640 123.107 120.570 -0.173 0.000 2.662 375 I HA -0.026 4.144 4.170 0.000 0.000 0.285 375 I C -0.410 175.551 176.117 -0.260 0.000 1.161 375 I CA 0.635 61.816 61.300 -0.198 0.000 1.415 375 I CB 0.569 38.458 38.000 -0.184 0.000 1.385 375 I HN 0.027 nan 8.210 nan 0.000 0.552 376 T N 5.878 120.276 114.554 -0.261 0.000 2.879 376 T HA 0.463 4.813 4.350 0.000 0.000 0.290 376 T C -0.778 173.848 174.700 -0.124 0.000 0.993 376 T CA -0.524 61.457 62.100 -0.199 0.000 0.975 376 T CB 0.739 69.556 68.868 -0.085 0.000 0.981 376 T HN 0.088 nan 8.240 nan 0.000 0.439 377 Y N 1.160 121.460 120.300 -0.001 0.000 2.419 377 Y HA 0.432 4.982 4.550 0.000 0.000 0.328 377 Y C 0.586 176.499 175.900 0.021 0.000 1.162 377 Y CA -1.933 56.144 58.100 -0.039 0.000 1.174 377 Y CB 0.639 39.019 38.460 -0.134 0.000 1.228 377 Y HN 0.533 nan 8.280 nan 0.000 0.473 378 D N 1.493 122.024 120.400 0.218 0.000 2.342 378 D HA 0.198 4.838 4.640 0.000 0.000 0.260 378 D C 0.347 176.791 176.300 0.240 0.000 1.278 378 D CA 0.138 54.240 54.000 0.170 0.000 0.910 378 D CB 0.469 41.341 40.800 0.121 0.000 1.079 378 D HN 0.387 nan 8.370 nan 0.000 0.496 379 V N 1.590 121.633 119.914 0.215 0.000 3.253 379 V HA 0.659 4.779 4.120 0.000 0.000 0.320 379 V C 0.721 176.790 176.094 -0.042 0.000 1.442 379 V CA 0.390 62.855 62.300 0.274 0.000 1.097 379 V CB -0.291 31.716 31.823 0.305 0.000 1.008 379 V HN 0.723 nan 8.190 nan 0.000 0.463 380 G N 0.813 109.597 108.800 -0.027 0.000 2.555 380 G HA2 0.187 4.147 3.960 0.000 0.000 0.686 380 G HA3 0.187 4.147 3.960 0.000 0.000 0.686 380 G C -0.345 174.639 174.900 0.141 0.000 1.275 380 G CA -0.164 44.882 45.100 -0.091 0.000 0.871 380 G HN 1.270 nan 8.290 nan 0.000 0.603 381 T N -1.464 113.242 114.554 0.254 0.000 2.912 381 T HA 1.012 5.362 4.350 0.000 0.000 0.280 381 T C 0.724 175.421 174.700 -0.004 0.000 0.989 381 T CA 0.420 62.648 62.100 0.213 0.000 0.995 381 T CB 2.002 71.068 68.868 0.329 0.000 1.077 381 T HN 2.631 nan 8.240 nan 0.000 0.531 382 G N -0.428 108.162 108.800 -0.349 0.000 2.328 382 G HA2 0.374 4.334 3.960 0.000 0.000 0.299 382 G HA3 0.374 4.334 3.960 0.000 0.000 0.299 382 G C 0.309 175.012 174.900 -0.328 0.000 1.435 382 G CA -0.047 44.635 45.100 -0.697 0.000 0.865 382 G HN 1.101 nan 8.290 nan 0.000 0.601 383 S N -0.656 114.885 115.700 -0.264 0.000 2.470 383 S HA 0.042 4.512 4.470 0.000 0.000 0.225 383 S C 0.974 175.513 174.600 -0.101 0.000 1.006 383 S CA 0.728 58.852 58.200 -0.127 0.000 0.934 383 S CB -0.253 62.894 63.200 -0.089 0.000 0.778 383 S HN 0.863 nan 8.310 nan 0.000 0.517 384 H N 4.757 123.719 119.070 -0.179 0.000 3.070 384 H HA 0.121 4.677 4.556 0.000 0.000 0.313 384 H C -1.540 173.714 175.328 -0.123 0.000 0.997 384 H CA -1.001 54.949 56.048 -0.164 0.000 1.438 384 H CB 1.159 30.786 29.762 -0.224 0.000 1.455 384 H HN 0.158 nan 8.280 nan 0.000 0.575 385 P HA -0.110 nan 4.420 nan 0.000 0.225 385 P C 1.418 178.753 177.300 0.058 0.000 1.148 385 P CA 0.783 63.848 63.100 -0.058 0.000 0.779 385 P CB 0.414 32.025 31.700 -0.149 0.000 0.780 386 L N -1.299 120.080 121.223 0.259 0.000 2.567 386 L HA 0.139 4.480 4.340 0.000 0.000 0.225 386 L C 1.129 178.015 176.870 0.026 0.000 1.119 386 L CA -0.291 54.611 54.840 0.104 0.000 0.871 386 L CB -0.255 41.863 42.059 0.098 0.000 1.036 386 L HN -0.097 nan 8.230 nan 0.000 0.459 387 L N 0.782 122.036 121.223 0.051 0.000 2.584 387 L HA 0.004 4.345 4.340 0.000 0.000 0.272 387 L C 1.440 178.343 176.870 0.055 0.000 1.195 387 L CA 0.905 55.773 54.840 0.046 0.000 0.920 387 L CB 0.001 42.110 42.059 0.083 0.000 1.173 387 L HN 0.406 nan 8.230 nan 0.000 0.489 388 G N 2.367 111.211 108.800 0.073 0.000 2.225 388 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 388 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 388 G C 0.429 175.376 174.900 0.079 0.000 0.988 388 G CA -0.007 45.152 45.100 0.100 0.000 0.625 388 G HN 0.550 nan 8.290 nan 0.000 0.527 389 K N 0.318 120.703 120.400 -0.026 0.000 2.109 389 K HA 0.567 4.887 4.320 0.000 0.000 0.243 389 K C 0.827 177.181 176.600 -0.410 0.000 1.006 389 K CA -0.731 55.458 56.287 -0.164 0.000 0.917 389 K CB 0.655 33.071 32.500 -0.140 0.000 1.081 389 K HN 0.389 nan 8.250 nan 0.000 0.468 390 R N 0.254 120.366 120.500 -0.647 0.000 2.643 390 R HA 0.102 4.442 4.340 0.000 0.000 0.270 390 R C -0.189 175.911 176.300 -0.333 0.000 1.061 390 R CA -0.248 55.436 56.100 -0.693 0.000 1.107 390 R CB 0.031 29.990 30.300 -0.569 0.000 0.999 390 R HN 0.475 nan 8.270 nan 0.000 0.460 391 M N 3.882 123.327 119.600 -0.258 0.000 2.143 391 M HA 0.338 4.818 4.480 0.000 0.000 0.348 391 M C -2.267 173.959 176.300 -0.124 0.000 1.375 391 M CA -2.151 53.060 55.300 -0.149 0.000 1.124 391 M CB 0.734 33.268 32.600 -0.110 0.000 1.669 391 M HN 0.606 nan 8.290 nan 0.000 0.469 392 P HA 0.217 nan 4.420 nan 0.000 0.272 392 P C -1.168 176.107 177.300 -0.042 0.000 1.223 392 P CA -0.322 62.737 63.100 -0.068 0.000 0.784 392 P CB 0.303 31.976 31.700 -0.044 0.000 0.923 393 A N 2.459 125.265 122.820 -0.024 0.000 2.566 393 A HA 0.255 4.575 4.320 0.000 0.000 0.245 393 A C -0.281 177.306 177.584 0.006 0.000 1.056 393 A CA 0.441 52.477 52.037 -0.002 0.000 0.757 393 A CB -0.955 18.061 19.000 0.027 0.000 0.979 393 A HN 0.554 nan 8.150 nan 0.000 0.508 394 L N 2.816 124.038 121.223 -0.001 0.000 2.406 394 L HA 0.434 4.774 4.340 0.000 0.000 0.272 394 L C -0.414 176.455 176.870 -0.001 0.000 0.980 394 L CA -0.254 54.586 54.840 -0.001 0.000 0.831 394 L CB 1.667 43.721 42.059 -0.009 0.000 1.253 394 L HN 0.724 nan 8.230 nan 0.000 0.406 395 E N 5.281 125.484 120.200 0.004 0.000 2.373 395 E HA 0.417 4.767 4.350 0.000 0.000 0.267 395 E C -1.086 175.512 176.600 -0.003 0.000 1.032 395 E CA -0.012 56.390 56.400 0.002 0.000 0.889 395 E CB 1.398 31.101 29.700 0.006 0.000 0.984 395 E HN 0.561 nan 8.360 nan 0.000 0.425 396 L N 1.301 122.520 121.223 -0.006 0.000 2.455 396 L HA 0.326 4.666 4.340 0.000 0.000 0.264 396 L C -0.457 176.409 176.870 -0.007 0.000 0.968 396 L CA -0.663 54.173 54.840 -0.007 0.000 0.827 396 L CB 2.374 44.427 42.059 -0.011 0.000 1.317 396 L HN 0.298 nan 8.230 nan 0.000 0.407 397 T N 0.507 115.058 114.554 -0.004 0.000 2.809 397 T HA 0.443 4.793 4.350 0.000 0.000 0.296 397 T C 0.184 174.882 174.700 -0.003 0.000 1.015 397 T CA -0.554 61.544 62.100 -0.003 0.000 0.954 397 T CB 1.268 70.135 68.868 -0.002 0.000 0.950 397 T HN 0.733 nan 8.240 nan 0.000 0.450 398 T N 0.223 114.775 114.554 -0.004 0.000 2.884 398 T HA 0.641 4.992 4.350 0.000 0.000 0.277 398 T C 1.892 176.591 174.700 -0.001 0.000 0.976 398 T CA -0.311 61.787 62.100 -0.002 0.000 0.956 398 T CB 0.854 69.719 68.868 -0.004 0.000 1.113 398 T HN 0.394 nan 8.240 nan 0.000 0.554 399 A N 0.395 123.215 122.820 0.000 0.000 2.024 399 A HA -0.007 4.313 4.320 0.000 0.000 0.220 399 A C 2.316 179.901 177.584 0.001 0.000 1.164 399 A CA 2.325 54.363 52.037 0.001 0.000 0.643 399 A CB -1.469 17.532 19.000 0.002 0.000 0.806 399 A HN 1.111 nan 8.150 nan 0.000 0.451 400 T N -3.892 110.663 114.554 0.000 0.000 2.964 400 T HA 0.305 4.655 4.350 0.000 0.000 0.249 400 T C 0.651 175.350 174.700 -0.000 0.000 1.000 400 T CA 0.221 62.321 62.100 0.000 0.000 0.992 400 T CB 0.043 68.911 68.868 0.001 0.000 1.087 400 T HN 0.715 nan 8.240 nan 0.000 0.489 401 R N 0.107 120.606 120.500 -0.002 0.000 2.799 401 R HA 0.628 4.969 4.340 0.000 0.000 0.270 401 R C -1.745 174.551 176.300 -0.005 0.000 1.010 401 R CA -0.878 55.220 56.100 -0.004 0.000 0.916 401 R CB 1.191 31.488 30.300 -0.005 0.000 1.228 401 R HN -0.101 nan 8.270 nan 0.000 0.469 402 E N 1.213 121.409 120.200 -0.005 0.000 2.174 402 E HA 0.307 4.657 4.350 0.000 0.000 0.282 402 E C -0.745 175.848 176.600 -0.013 0.000 0.992 402 E CA -0.320 56.077 56.400 -0.007 0.000 0.803 402 E CB 2.149 31.848 29.700 -0.003 0.000 1.090 402 E HN 0.666 nan 8.360 nan 0.000 0.396 403 T N 0.659 115.202 114.554 -0.018 0.000 2.572 403 T HA 0.616 4.966 4.350 0.000 0.000 0.274 403 T C -1.277 173.405 174.700 -0.030 0.000 0.949 403 T CA -0.183 61.898 62.100 -0.032 0.000 1.126 403 T CB 1.152 69.995 68.868 -0.043 0.000 1.478 403 T HN 0.513 nan 8.240 nan 0.000 0.492 404 S N -0.592 115.082 115.700 -0.044 0.000 2.567 404 S HA 0.411 4.881 4.470 0.000 0.000 0.270 404 S C 1.103 175.677 174.600 -0.043 0.000 1.152 404 S CA 0.283 58.464 58.200 -0.033 0.000 0.835 404 S CB 0.871 64.059 63.200 -0.020 0.000 1.115 404 S HN 1.162 nan 8.310 nan 0.000 0.459 405 S N 1.243 116.926 115.700 -0.029 0.000 2.374 405 S HA -0.160 4.310 4.470 0.000 0.000 0.227 405 S C 1.711 176.293 174.600 -0.031 0.000 1.037 405 S CA 2.038 60.220 58.200 -0.031 0.000 1.024 405 S CB -1.708 61.475 63.200 -0.028 0.000 0.861 405 S HN 0.870 nan 8.310 nan 0.000 0.456 406 T N 2.086 116.627 114.554 -0.021 0.000 2.684 406 T HA -0.151 4.199 4.350 0.000 0.000 0.267 406 T C 1.806 176.489 174.700 -0.028 0.000 1.036 406 T CA 1.707 63.813 62.100 0.010 0.000 1.148 406 T CB -0.501 68.388 68.868 0.035 0.000 0.863 406 T HN 0.674 nan 8.240 nan 0.000 0.436 407 E N 0.575 120.672 120.200 -0.171 0.000 2.106 407 E HA -0.043 4.307 4.350 0.000 0.000 0.192 407 E C 2.065 178.418 176.600 -0.412 0.000 0.984 407 E CA 0.585 56.656 56.400 -0.549 0.000 0.806 407 E CB -0.194 29.285 29.700 -0.369 0.000 0.750 407 E HN 0.440 nan 8.360 nan 0.000 0.458 408 L N 0.596 121.719 121.223 -0.167 0.000 2.362 408 L HA -0.124 4.216 4.340 0.000 0.000 0.219 408 L C 1.988 178.844 176.870 -0.024 0.000 1.134 408 L CA 0.460 55.250 54.840 -0.083 0.000 0.807 408 L CB -0.054 41.974 42.059 -0.052 0.000 0.927 408 L HN 0.234 nan 8.230 nan 0.000 0.447 409 L N -1.783 119.446 121.223 0.009 0.000 2.592 409 L HA -0.020 4.320 4.340 0.000 0.000 0.227 409 L C 2.099 179.081 176.870 0.187 0.000 1.127 409 L CA 0.051 54.938 54.840 0.077 0.000 0.884 409 L CB -0.432 41.663 42.059 0.061 0.000 1.065 409 L HN 0.302 nan 8.230 nan 0.000 0.457 410 H N -0.382 118.718 119.070 0.050 0.000 2.422 410 H HA -0.139 4.417 4.556 0.000 0.000 0.298 410 H C 1.903 177.299 175.328 0.113 0.000 1.098 410 H CA 1.620 57.716 56.048 0.080 0.000 1.315 410 H CB 0.247 30.052 29.762 0.072 0.000 1.382 410 H HN 0.414 nan 8.280 nan 0.000 0.523 411 T N -2.219 112.464 114.554 0.215 0.000 3.107 411 T HA 0.422 4.772 4.350 0.000 0.000 0.249 411 T C 1.120 175.906 174.700 0.145 0.000 1.096 411 T CA 0.276 62.472 62.100 0.160 0.000 1.012 411 T CB 0.209 69.148 68.868 0.118 0.000 0.977 411 T HN 0.443 nan 8.240 nan 0.000 0.527 412 A N 0.959 123.866 122.820 0.144 0.000 2.791 412 A HA -0.194 4.126 4.320 0.000 0.000 0.292 412 A C 0.486 178.137 177.584 0.112 0.000 1.487 412 A CA 0.773 52.884 52.037 0.123 0.000 0.760 412 A CB -2.284 16.821 19.000 0.175 0.000 1.031 412 A HN 0.713 nan 8.150 nan 0.000 0.503 413 R N -0.772 119.782 120.500 0.089 0.000 2.691 413 R HA 0.574 4.914 4.340 0.000 0.000 0.259 413 R C 1.039 177.382 176.300 0.072 0.000 1.048 413 R CA -0.117 56.042 56.100 0.099 0.000 1.086 413 R CB 0.739 31.076 30.300 0.063 0.000 1.166 413 R HN 0.677 nan 8.270 nan 0.000 0.526 414 G N -0.055 108.797 108.800 0.088 0.000 2.527 414 G HA2 0.377 4.337 3.960 0.000 0.000 0.248 414 G HA3 0.377 4.337 3.960 0.000 0.000 0.248 414 G C -0.848 173.988 174.900 -0.107 0.000 1.231 414 G CA -0.298 44.793 45.100 -0.015 0.000 0.838 414 G HN 0.236 nan 8.290 nan 0.000 0.570 415 V N 2.328 122.203 119.914 -0.064 0.000 2.525 415 V HA 0.333 4.453 4.120 0.000 0.000 0.299 415 V C -0.718 175.352 176.094 -0.040 0.000 1.034 415 V CA -0.724 61.544 62.300 -0.054 0.000 0.863 415 V CB 1.511 33.317 31.823 -0.028 0.000 0.999 415 V HN 0.675 nan 8.190 nan 0.000 0.423 416 L N 6.739 127.933 121.223 -0.049 0.000 2.280 416 L HA 0.609 4.949 4.340 0.000 0.000 0.287 416 L C -0.696 176.180 176.870 0.010 0.000 1.023 416 L CA 0.029 54.863 54.840 -0.010 0.000 0.819 416 L CB 1.117 43.148 42.059 -0.046 0.000 1.212 416 L HN 0.549 nan 8.230 nan 0.000 0.420 417 L N 4.538 125.782 121.223 0.034 0.000 2.265 417 L HA 0.342 4.682 4.340 0.000 0.000 0.288 417 L C -0.430 176.468 176.870 0.046 0.000 1.058 417 L CA -0.485 54.371 54.840 0.026 0.000 0.809 417 L CB 1.137 43.204 42.059 0.014 0.000 1.179 417 L HN 0.597 nan 8.230 nan 0.000 0.429 418 D N 4.421 124.842 120.400 0.035 0.000 2.485 418 D HA 0.226 4.866 4.640 0.000 0.000 0.221 418 D C 0.569 176.886 176.300 0.028 0.000 1.112 418 D CA -0.237 53.788 54.000 0.042 0.000 0.911 418 D CB 0.784 41.604 40.800 0.034 0.000 1.019 418 D HN 0.403 nan 8.370 nan 0.000 0.516 419 L N 2.195 123.435 121.223 0.028 0.000 2.592 419 L HA 0.304 4.644 4.340 0.000 0.000 0.227 419 L C 1.317 178.196 176.870 0.015 0.000 1.127 419 L CA 0.123 54.972 54.840 0.016 0.000 0.884 419 L CB 0.160 42.225 42.059 0.010 0.000 1.065 419 L HN 0.439 nan 8.230 nan 0.000 0.457 420 A N -1.028 121.805 122.820 0.022 0.000 2.594 420 A HA 0.178 4.498 4.320 0.000 0.000 0.292 420 A C 0.252 177.849 177.584 0.021 0.000 1.026 420 A CA -0.305 51.743 52.037 0.019 0.000 0.983 420 A CB 0.039 19.051 19.000 0.021 0.000 1.233 420 A HN 0.238 nan 8.150 nan 0.000 0.519 421 D N 0.537 120.949 120.400 0.020 0.000 2.740 421 D HA -0.196 4.444 4.640 0.000 0.000 0.231 421 D C -0.357 175.957 176.300 0.022 0.000 1.194 421 D CA 0.972 54.983 54.000 0.018 0.000 0.673 421 D CB -1.029 39.779 40.800 0.014 0.000 0.995 421 D HN 0.497 nan 8.370 nan 0.000 0.411 422 N N 1.097 119.814 118.700 0.029 0.000 2.546 422 N HA 0.271 5.011 4.740 0.000 0.000 0.238 422 N C -1.698 173.830 175.510 0.030 0.000 0.984 422 N CA -2.046 51.024 53.050 0.033 0.000 0.935 422 N CB 1.366 39.880 38.487 0.046 0.000 1.122 422 N HN 0.029 nan 8.380 nan 0.000 0.510 423 P HA -0.092 nan 4.420 nan 0.000 0.221 423 P C 0.820 178.134 177.300 0.023 0.000 1.150 423 P CA 0.924 64.037 63.100 0.021 0.000 0.800 423 P CB 0.597 32.308 31.700 0.017 0.000 0.787 424 R N -0.658 119.857 120.500 0.026 0.000 2.075 424 R HA -0.072 4.268 4.340 0.000 0.000 0.232 424 R C 2.429 178.745 176.300 0.027 0.000 1.126 424 R CA 0.780 56.897 56.100 0.027 0.000 0.963 424 R CB -1.182 29.136 30.300 0.031 0.000 0.858 424 R HN 0.151 nan 8.270 nan 0.000 0.435 425 L N 1.611 122.853 121.223 0.032 0.000 2.012 425 L HA -0.207 4.133 4.340 0.000 0.000 0.210 425 L C 2.226 179.103 176.870 0.012 0.000 1.073 425 L CA 1.766 56.621 54.840 0.026 0.000 0.748 425 L CB -0.261 41.830 42.059 0.054 0.000 0.891 425 L HN 0.035 nan 8.230 nan 0.000 0.431 426 R N -0.605 119.907 120.500 0.020 0.000 2.105 426 R HA -0.144 4.196 4.340 0.000 0.000 0.239 426 R C 2.158 178.474 176.300 0.027 0.000 1.135 426 R CA 1.342 57.453 56.100 0.019 0.000 0.967 426 R CB -0.765 29.545 30.300 0.017 0.000 0.861 426 R HN 0.525 nan 8.270 nan 0.000 0.442 427 A N 1.135 123.972 122.820 0.028 0.000 1.930 427 A HA -0.115 4.205 4.320 0.000 0.000 0.215 427 A C 2.157 179.774 177.584 0.055 0.000 1.176 427 A CA 0.978 53.036 52.037 0.034 0.000 0.632 427 A CB -0.295 18.721 19.000 0.026 0.000 0.819 427 A HN 0.155 nan 8.150 nan 0.000 0.445 428 R N -0.195 120.336 120.500 0.051 0.000 2.120 428 R HA -0.026 4.314 4.340 0.000 0.000 0.234 428 R C 1.734 178.136 176.300 0.170 0.000 1.123 428 R CA 1.585 57.729 56.100 0.074 0.000 0.975 428 R CB -0.295 30.009 30.300 0.005 0.000 0.866 428 R HN 0.407 nan 8.270 nan 0.000 0.446 429 A N -0.812 122.084 122.820 0.127 0.000 2.303 429 A HA 0.371 4.691 4.320 0.000 0.000 0.217 429 A C 1.918 179.684 177.584 0.302 0.000 1.205 429 A CA 0.487 52.655 52.037 0.218 0.000 0.875 429 A CB -0.037 18.960 19.000 -0.004 0.000 0.910 429 A HN 0.384 nan 8.150 nan 0.000 0.501 430 A N 0.339 123.254 122.820 0.160 0.000 1.978 430 A HA 0.116 4.436 4.320 0.000 0.000 0.220 430 A C 2.263 179.869 177.584 0.037 0.000 1.170 430 A CA 1.732 53.816 52.037 0.079 0.000 0.636 430 A CB -0.712 18.308 19.000 0.033 0.000 0.810 430 A HN 1.081 nan 8.150 nan 0.000 0.448 431 A N -2.091 120.715 122.820 -0.022 0.000 2.178 431 A HA -0.079 4.241 4.320 0.000 0.000 0.218 431 A C 1.590 178.895 177.584 -0.465 0.000 1.157 431 A CA 0.807 52.641 52.037 -0.338 0.000 0.689 431 A CB -0.567 18.039 19.000 -0.656 0.000 0.787 431 A HN 0.808 nan 8.150 nan 0.000 0.465 432 W N -0.291 120.980 121.300 -0.049 0.000 3.005 432 W HA 0.103 4.763 4.660 0.000 0.000 0.374 432 W C 1.697 178.156 176.519 -0.100 0.000 1.076 432 W CA 0.412 57.717 57.345 -0.066 0.000 1.794 432 W CB -0.331 29.068 29.460 -0.102 0.000 1.113 432 W HN 0.521 nan 8.180 nan 0.000 0.584 433 S N 0.370 116.127 115.700 0.095 0.000 2.469 433 S HA -0.221 4.249 4.470 0.000 0.000 0.238 433 S C 1.413 176.024 174.600 0.018 0.000 0.998 433 S CA 1.768 59.989 58.200 0.035 0.000 0.957 433 S CB -0.469 62.744 63.200 0.021 0.000 0.764 433 S HN 0.260 nan 8.310 nan 0.000 0.514 434 D N 1.555 121.968 120.400 0.022 0.000 2.264 434 D HA -0.123 4.517 4.640 0.000 0.000 0.208 434 D C 1.791 178.122 176.300 0.052 0.000 0.966 434 D CA 0.871 54.888 54.000 0.028 0.000 0.864 434 D CB -0.348 40.464 40.800 0.020 0.000 0.933 434 D HN 0.478 nan 8.370 nan 0.000 0.499 435 R N -0.665 119.872 120.500 0.062 0.000 2.344 435 R HA 0.313 4.653 4.340 0.000 0.000 0.209 435 R C -0.323 175.934 176.300 -0.072 0.000 0.886 435 R CA 0.001 56.150 56.100 0.082 0.000 1.040 435 R CB 1.662 32.094 30.300 0.221 0.000 1.114 435 R HN -0.026 nan 8.270 nan 0.000 0.547 436 V N 1.958 121.781 119.914 -0.151 0.000 2.483 436 V HA 0.211 4.331 4.120 0.000 0.000 0.297 436 V C -1.130 174.890 176.094 -0.123 0.000 1.027 436 V CA -1.117 61.014 62.300 -0.282 0.000 0.855 436 V CB 1.968 33.510 31.823 -0.468 0.000 0.995 436 V HN 0.026 nan 8.190 nan 0.000 0.424 437 D N 4.752 125.097 120.400 -0.092 0.000 2.317 437 D HA 0.388 5.028 4.640 0.000 0.000 0.252 437 D C -0.157 176.114 176.300 -0.049 0.000 1.174 437 D CA 0.257 54.228 54.000 -0.048 0.000 0.866 437 D CB 1.588 42.372 40.800 -0.027 0.000 1.127 437 D HN 0.366 nan 8.370 nan 0.000 0.467 438 I N 2.611 123.162 120.570 -0.032 0.000 2.307 438 I HA 0.142 4.312 4.170 0.000 0.000 0.289 438 I C -0.310 175.801 176.117 -0.010 0.000 1.021 438 I CA -0.618 60.669 61.300 -0.022 0.000 1.224 438 I CB 1.194 39.187 38.000 -0.012 0.000 1.376 438 I HN -0.079 nan 8.210 nan 0.000 0.470 439 V N 5.163 125.072 119.914 -0.008 0.000 2.378 439 V HA 0.300 4.420 4.120 0.000 0.000 0.288 439 V C 0.180 176.275 176.094 0.002 0.000 1.016 439 V CA -0.550 61.747 62.300 -0.005 0.000 0.840 439 V CB 1.725 33.541 31.823 -0.010 0.000 0.994 439 V HN 0.647 nan 8.190 nan 0.000 0.431 440 T N 4.914 119.470 114.554 0.004 0.000 2.749 440 T HA 0.726 5.076 4.350 0.000 0.000 0.295 440 T C 0.107 174.810 174.700 0.005 0.000 0.936 440 T CA 0.003 62.107 62.100 0.008 0.000 1.060 440 T CB 1.121 69.994 68.868 0.009 0.000 0.904 440 T HN 1.016 nan 8.240 nan 0.000 0.500 441 A N 2.895 125.719 122.820 0.005 0.000 2.606 441 A HA 0.699 5.019 4.320 0.000 0.000 0.293 441 A C -0.959 176.627 177.584 0.003 0.000 1.082 441 A CA -0.714 51.324 52.037 0.002 0.000 0.685 441 A CB 1.320 20.319 19.000 -0.002 0.000 1.284 441 A HN 0.590 nan 8.150 nan 0.000 0.408 442 V N 3.584 123.499 119.914 0.002 0.000 2.406 442 V HA 0.415 4.535 4.120 0.000 0.000 0.272 442 V C -1.927 174.166 176.094 -0.000 0.000 1.043 442 V CA -1.093 61.208 62.300 0.001 0.000 0.915 442 V CB 1.044 32.867 31.823 0.001 0.000 0.988 442 V HN 0.792 nan 8.190 nan 0.000 0.466 443 P HA 0.254 nan 4.420 nan 0.000 0.277 443 P C 0.265 177.564 177.300 -0.002 0.000 1.240 443 P CA 0.022 63.121 63.100 -0.001 0.000 0.798 443 P CB 1.192 32.891 31.700 -0.001 0.000 0.979 444 G N 1.038 109.837 108.800 -0.001 0.000 2.653 444 G HA2 0.072 4.032 3.960 0.000 0.000 0.265 444 G HA3 0.072 4.032 3.960 0.000 0.000 0.265 444 G C -0.350 174.549 174.900 -0.002 0.000 1.237 444 G CA -0.485 44.614 45.100 -0.001 0.000 0.946 444 G HN 0.615 nan 8.290 nan 0.000 0.522 445 E N -1.257 118.941 120.200 -0.003 0.000 2.452 445 E HA 0.251 4.601 4.350 0.000 0.000 0.261 445 E C 0.069 176.666 176.600 -0.004 0.000 0.987 445 E CA -0.168 56.229 56.400 -0.005 0.000 0.926 445 E CB 0.503 30.198 29.700 -0.007 0.000 0.934 445 E HN 0.377 nan 8.360 nan 0.000 0.452 446 V N 1.311 121.221 119.914 -0.006 0.000 2.823 446 V HA 0.553 4.673 4.120 0.000 0.000 0.312 446 V C -0.039 176.049 176.094 -0.010 0.000 1.072 446 V CA -0.794 61.502 62.300 -0.006 0.000 0.937 446 V CB 1.556 33.375 31.823 -0.007 0.000 1.013 446 V HN 0.715 nan 8.190 nan 0.000 0.430 447 S N 2.894 118.589 115.700 -0.009 0.000 2.603 447 S HA 0.623 5.093 4.470 0.000 0.000 0.268 447 S C 1.394 175.981 174.600 -0.021 0.000 1.317 447 S CA 0.045 58.237 58.200 -0.012 0.000 1.012 447 S CB 1.382 64.578 63.200 -0.006 0.000 0.926 447 S HN 1.941 nan 8.310 nan 0.000 0.539 448 A N 1.459 124.265 122.820 -0.024 0.000 1.933 448 A HA -0.035 4.285 4.320 0.000 0.000 0.218 448 A C 2.267 179.828 177.584 -0.039 0.000 1.175 448 A CA 1.920 53.938 52.037 -0.032 0.000 0.628 448 A CB -1.674 17.309 19.000 -0.029 0.000 0.814 448 A HN 1.163 nan 8.150 nan 0.000 0.444 449 T N -2.339 112.196 114.554 -0.031 0.000 3.081 449 T HA 0.017 4.367 4.350 0.000 0.000 0.250 449 T C 1.773 176.451 174.700 -0.037 0.000 1.100 449 T CA 1.094 63.173 62.100 -0.035 0.000 1.038 449 T CB -0.371 68.481 68.868 -0.026 0.000 0.962 449 T HN 0.615 nan 8.240 nan 0.000 0.516 450 S N 1.308 116.990 115.700 -0.030 0.000 2.419 450 S HA 0.233 4.703 4.470 0.000 0.000 0.233 450 S C 2.191 176.771 174.600 -0.033 0.000 1.016 450 S CA 0.866 59.050 58.200 -0.027 0.000 0.974 450 S CB -1.048 62.143 63.200 -0.015 0.000 0.786 450 S HN 1.292 nan 8.310 nan 0.000 0.492 451 G N 0.642 109.413 108.800 -0.048 0.000 2.175 451 G HA2 -0.215 3.745 3.960 0.000 0.000 0.244 451 G HA3 -0.215 3.745 3.960 0.000 0.000 0.244 451 G C 0.502 175.381 174.900 -0.035 0.000 0.982 451 G CA 0.365 45.425 45.100 -0.067 0.000 0.641 451 G HN 0.540 nan 8.290 nan 0.000 0.527 452 L N 0.410 121.626 121.223 -0.012 0.000 2.585 452 L HA 0.303 4.643 4.340 0.000 0.000 0.226 452 L C 1.675 178.542 176.870 -0.004 0.000 1.113 452 L CA -0.475 54.378 54.840 0.021 0.000 0.876 452 L CB -0.013 42.053 42.059 0.012 0.000 1.072 452 L HN 0.072 nan 8.230 nan 0.000 0.468 453 R N 1.462 121.939 120.500 -0.039 0.000 2.585 453 R HA -0.058 4.282 4.340 0.000 0.000 0.275 453 R C -0.020 176.250 176.300 -0.050 0.000 1.018 453 R CA 0.408 56.482 56.100 -0.043 0.000 1.072 453 R CB 0.040 30.307 30.300 -0.055 0.000 0.953 453 R HN 0.201 nan 8.270 nan 0.000 0.419 454 D N 0.152 120.532 120.400 -0.032 0.000 2.983 454 D HA -0.139 4.501 4.640 0.000 0.000 0.225 454 D C -0.641 175.650 176.300 -0.015 0.000 1.174 454 D CA 1.359 55.341 54.000 -0.030 0.000 0.831 454 D CB -1.082 39.689 40.800 -0.047 0.000 1.104 454 D HN 0.490 nan 8.370 nan 0.000 0.421 455 T N 0.096 114.657 114.554 0.012 0.000 2.771 455 T HA 0.359 4.710 4.350 0.000 0.000 0.291 455 T C 1.710 176.412 174.700 0.002 0.000 0.954 455 T CA 0.190 62.315 62.100 0.042 0.000 1.045 455 T CB 1.601 70.543 68.868 0.122 0.000 0.917 455 T HN 0.201 nan 8.240 nan 0.000 0.484 456 T N 0.016 114.560 114.554 -0.017 0.000 3.051 456 T HA 0.547 4.897 4.350 0.000 0.000 0.255 456 T C 0.617 175.324 174.700 0.011 0.000 1.085 456 T CA 0.042 62.141 62.100 -0.002 0.000 1.109 456 T CB 0.299 69.172 68.868 0.008 0.000 0.921 456 T HN 0.725 nan 8.240 nan 0.000 0.488 457 A N 0.244 123.048 122.820 -0.025 0.000 2.589 457 A HA 0.679 4.999 4.320 0.000 0.000 0.296 457 A C -1.665 175.888 177.584 -0.051 0.000 1.062 457 A CA -0.754 51.310 52.037 0.046 0.000 0.686 457 A CB 1.721 20.868 19.000 0.244 0.000 1.282 457 A HN 0.328 nan 8.150 nan 0.000 0.404 458 V N 1.555 121.504 119.914 0.057 0.000 2.733 458 V HA 0.537 4.657 4.120 0.000 0.000 0.306 458 V C -1.100 175.094 176.094 0.167 0.000 1.084 458 V CA -0.440 61.871 62.300 0.017 0.000 0.905 458 V CB 1.648 33.432 31.823 -0.065 0.000 1.010 458 V HN 0.977 nan 8.190 nan 0.000 0.424 459 L N 6.197 127.594 121.223 0.289 0.000 2.264 459 L HA 0.679 5.019 4.340 0.000 0.000 0.289 459 L C -0.632 176.320 176.870 0.137 0.000 1.044 459 L CA 0.286 55.260 54.840 0.225 0.000 0.807 459 L CB 0.831 43.067 42.059 0.296 0.000 1.192 459 L HN 0.565 nan 8.230 nan 0.000 0.425 460 I N 5.208 125.824 120.570 0.076 0.000 2.378 460 I HA 0.451 4.621 4.170 0.000 0.000 0.291 460 I C 0.291 176.425 176.117 0.029 0.000 0.992 460 I CA -0.751 60.559 61.300 0.017 0.000 1.154 460 I CB 1.371 39.359 38.000 -0.020 0.000 1.315 460 I HN 0.576 nan 8.210 nan 0.000 0.448 461 R N 5.911 126.357 120.500 -0.089 0.000 2.774 461 R HA 0.140 4.480 4.340 0.000 0.000 0.269 461 R C -1.556 174.486 176.300 -0.431 0.000 1.068 461 R CA -1.104 54.795 56.100 -0.334 0.000 1.180 461 R CB 0.141 30.068 30.300 -0.622 0.000 1.077 461 R HN 0.328 nan 8.270 nan 0.000 0.513 462 P HA -0.165 nan 4.420 nan 0.000 0.221 462 P C 0.077 177.106 177.300 -0.452 0.000 1.145 462 P CA 1.241 64.006 63.100 -0.558 0.000 0.795 462 P CB 0.104 31.433 31.700 -0.618 0.000 0.775 463 D N -2.114 117.932 120.400 -0.589 0.000 2.349 463 D HA 0.072 4.712 4.640 0.000 0.000 0.224 463 D C 1.463 177.789 176.300 0.044 0.000 1.029 463 D CA 0.691 54.646 54.000 -0.075 0.000 0.879 463 D CB -0.915 40.025 40.800 0.234 0.000 0.906 463 D HN 0.214 nan 8.370 nan 0.000 0.528 464 G N -0.483 108.282 108.800 -0.058 0.000 2.175 464 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 464 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 464 G C 0.051 174.886 174.900 -0.110 0.000 0.982 464 G CA -0.069 44.993 45.100 -0.064 0.000 0.641 464 G HN 0.552 nan 8.290 nan 0.000 0.527 465 H N 0.000 119.006 119.070 -0.108 0.000 2.582 465 H HA 0.408 4.964 4.556 0.000 0.000 0.345 465 H C 0.216 175.470 175.328 -0.123 0.000 1.104 465 H CA -0.098 55.889 56.048 -0.102 0.000 1.390 465 H CB 1.796 31.546 29.762 -0.021 0.000 1.461 465 H HN 0.049 nan 8.280 nan 0.000 0.551 466 V N 3.079 122.971 119.914 -0.038 0.000 2.470 466 V HA 0.029 4.149 4.120 0.000 0.000 0.276 466 V C 1.060 177.172 176.094 0.030 0.000 1.040 466 V CA 0.307 62.590 62.300 -0.027 0.000 1.008 466 V CB 0.769 32.547 31.823 -0.074 0.000 0.990 466 V HN 0.918 nan 8.190 nan 0.000 0.477 467 A N 4.907 127.776 122.820 0.080 0.000 2.044 467 A HA 0.268 4.588 4.320 0.000 0.000 0.213 467 A C 0.280 178.159 177.584 0.491 0.000 1.169 467 A CA 0.199 52.356 52.037 0.200 0.000 0.724 467 A CB 0.197 19.298 19.000 0.169 0.000 0.840 467 A HN 0.873 nan 8.150 nan 0.000 0.463 468 W N -2.329 119.047 121.300 0.125 0.000 3.464 468 W HA 0.516 5.177 4.660 0.000 0.000 0.292 468 W C -1.440 175.012 176.519 -0.113 0.000 1.262 468 W CA 0.071 57.450 57.345 0.056 0.000 1.202 468 W CB 0.609 30.113 29.460 0.072 0.000 1.334 468 W HN 0.303 nan 8.180 nan 0.000 0.561 469 A N 2.538 124.655 122.820 -1.172 0.000 2.594 469 A HA 0.932 5.252 4.320 0.000 0.000 0.295 469 A C -1.760 174.867 177.584 -1.594 0.000 1.071 469 A CA -0.361 50.893 52.037 -1.305 0.000 0.685 469 A CB 1.204 19.478 19.000 -1.209 0.000 1.285 469 A HN 1.626 nan 8.150 nan 0.000 0.405 470 A N 2.003 124.162 122.820 -1.102 0.000 2.355 470 A HA 0.940 5.260 4.320 0.000 0.000 0.317 470 A C -2.921 174.535 177.584 -0.213 0.000 1.094 470 A CA -1.778 49.907 52.037 -0.587 0.000 0.764 470 A CB 1.230 20.015 19.000 -0.357 0.000 1.230 470 A HN 0.552 nan 8.150 nan 0.000 0.448 471 P HA 0.519 nan 4.420 nan 0.000 0.279 471 P C 0.555 177.785 177.300 -0.116 0.000 1.276 471 P CA 0.782 63.812 63.100 -0.117 0.000 0.801 471 P CB 1.062 32.730 31.700 -0.053 0.000 1.127 472 G N -1.196 107.521 108.800 -0.138 0.000 2.145 472 G HA2 -0.121 3.839 3.960 0.000 0.000 0.176 472 G HA3 -0.121 3.839 3.960 0.000 0.000 0.176 472 G C -0.246 174.514 174.900 -0.234 0.000 1.013 472 G CA -0.333 44.687 45.100 -0.133 0.000 0.689 472 G HN 0.560 nan 8.290 nan 0.000 0.506 473 S N -0.977 114.532 115.700 -0.317 0.000 2.454 473 S HA 0.559 5.029 4.470 0.000 0.000 0.306 473 S C 0.953 175.465 174.600 -0.147 0.000 1.100 473 S CA -0.475 57.488 58.200 -0.396 0.000 1.087 473 S CB 1.242 63.986 63.200 -0.760 0.000 1.019 473 S HN 0.407 nan 8.310 nan 0.000 0.480 474 H N 1.265 120.329 119.070 -0.009 0.000 2.363 474 H HA -0.036 4.520 4.556 0.000 0.000 0.301 474 H C 0.840 176.258 175.328 0.149 0.000 1.074 474 H CA 0.844 56.950 56.048 0.097 0.000 1.354 474 H CB 0.092 29.945 29.762 0.152 0.000 1.397 474 H HN 0.666 nan 8.280 nan 0.000 0.516 475 H N 1.612 120.853 119.070 0.284 0.000 2.615 475 H HA 0.097 4.653 4.556 0.000 0.000 0.363 475 H C -0.376 175.143 175.328 0.318 0.000 1.148 475 H CA -0.446 55.749 56.048 0.244 0.000 1.401 475 H CB 0.480 30.376 29.762 0.222 0.000 1.461 475 H HN 0.360 nan 8.280 nan 0.000 0.588 476 D N 1.232 121.766 120.400 0.223 0.000 2.388 476 D HA 0.104 4.744 4.640 0.000 0.000 0.254 476 D C 1.386 177.560 176.300 -0.209 0.000 1.111 476 D CA -0.890 53.173 54.000 0.105 0.000 0.993 476 D CB 1.231 42.063 40.800 0.053 0.000 1.118 476 D HN 0.383 nan 8.370 nan 0.000 0.502 477 L N 0.557 121.405 121.223 -0.626 0.000 1.994 477 L HA 0.056 4.396 4.340 0.000 0.000 0.208 477 L C -1.043 175.415 176.870 -0.686 0.000 1.071 477 L CA 1.729 55.836 54.840 -1.222 0.000 0.745 477 L CB -1.557 39.631 42.059 -1.452 0.000 0.892 477 L HN 0.419 nan 8.230 nan 0.000 0.431 478 P HA -0.188 nan 4.420 nan 0.000 0.216 478 P C 2.043 179.184 177.300 -0.266 0.000 1.150 478 P CA 1.844 64.690 63.100 -0.424 0.000 0.843 478 P CB -0.124 31.533 31.700 -0.072 0.000 0.787 479 M N -1.201 118.326 119.600 -0.122 0.000 2.080 479 M HA -0.186 4.294 4.480 0.000 0.000 0.260 479 M C 2.138 178.409 176.300 -0.049 0.000 1.068 479 M CA 2.195 57.477 55.300 -0.029 0.000 1.109 479 M CB -0.829 31.812 32.600 0.068 0.000 1.342 479 M HN -0.084 nan 8.290 nan 0.000 0.405 480 A N 0.204 123.019 122.820 -0.008 0.000 1.902 480 A HA -0.127 4.193 4.320 0.000 0.000 0.217 480 A C 2.056 179.675 177.584 0.058 0.000 1.181 480 A CA 1.367 53.484 52.037 0.134 0.000 0.623 480 A CB -0.901 18.276 19.000 0.296 0.000 0.818 480 A HN 0.447 nan 8.150 nan 0.000 0.443 481 L N -0.839 120.237 121.223 -0.246 0.000 2.017 481 L HA -0.187 4.153 4.340 0.000 0.000 0.208 481 L C 2.767 179.535 176.870 -0.170 0.000 1.073 481 L CA 1.632 56.226 54.840 -0.411 0.000 0.745 481 L CB -0.481 40.635 42.059 -1.573 0.000 0.894 481 L HN 0.448 nan 8.230 nan 0.000 0.432 482 E N 0.362 120.480 120.200 -0.136 0.000 2.058 482 E HA -0.279 4.071 4.350 0.000 0.000 0.194 482 E C 2.310 178.910 176.600 0.000 0.000 0.997 482 E CA 1.363 57.853 56.400 0.150 0.000 0.801 482 E CB 0.001 29.797 29.700 0.160 0.000 0.746 482 E HN 0.322 nan 8.360 nan 0.000 0.450 483 R N -0.805 119.574 120.500 -0.201 0.000 2.091 483 R HA -0.163 4.177 4.340 0.000 0.000 0.238 483 R C 1.792 177.660 176.300 -0.720 0.000 1.136 483 R CA 2.025 57.790 56.100 -0.559 0.000 0.959 483 R CB -0.213 29.582 30.300 -0.842 0.000 0.856 483 R HN 0.187 nan 8.270 nan 0.000 0.437 484 W N -2.095 119.182 121.300 -0.040 0.000 3.107 484 W HA 0.243 4.903 4.660 0.000 0.000 0.293 484 W C 0.757 176.991 176.519 -0.476 0.000 1.239 484 W CA -0.596 56.607 57.345 -0.237 0.000 1.653 484 W CB 0.475 29.706 29.460 -0.382 0.000 1.068 484 W HN -0.012 nan 8.180 nan 0.000 0.615 485 F N -0.336 119.805 119.950 0.319 0.000 2.831 485 F HA 0.485 5.012 4.527 0.000 0.000 0.334 485 F C 1.467 177.455 175.800 0.312 0.000 1.071 485 F CA 0.510 58.710 58.000 0.334 0.000 1.172 485 F CB 0.184 39.371 39.000 0.313 0.000 1.054 485 F HN -0.108 nan 8.300 nan 0.000 0.572 486 G N 1.143 110.168 108.800 0.375 0.000 2.545 486 G HA2 0.102 4.062 3.960 0.000 0.000 0.216 486 G HA3 0.102 4.062 3.960 0.000 0.000 0.216 486 G C -0.317 174.803 174.900 0.367 0.000 1.314 486 G CA -0.756 44.513 45.100 0.281 0.000 0.906 486 G HN 0.556 nan 8.290 nan 0.000 0.563 487 A N 1.840 124.775 122.820 0.192 0.000 2.462 487 A HA 0.654 4.975 4.320 0.000 0.000 0.243 487 A C -1.062 176.447 177.584 -0.125 0.000 1.076 487 A CA 0.127 52.218 52.037 0.090 0.000 0.773 487 A CB -0.173 18.837 19.000 0.018 0.000 1.010 487 A HN 0.843 nan 8.150 nan 0.000 0.493 488 P HA 0.167 nan 4.420 nan 0.000 0.272 488 P C -0.419 176.551 177.300 -0.551 0.000 1.223 488 P CA -0.099 62.368 63.100 -1.054 0.000 0.784 488 P CB 0.492 31.543 31.700 -1.082 0.000 0.923 489 L N 1.512 122.420 121.223 -0.526 0.000 2.456 489 L HA 0.094 4.434 4.340 0.000 0.000 0.272 489 L C 1.024 177.759 176.870 -0.226 0.000 1.189 489 L CA 0.385 55.059 54.840 -0.278 0.000 0.846 489 L CB -0.019 41.916 42.059 -0.208 0.000 1.111 489 L HN 0.352 nan 8.230 nan 0.000 0.475 490 T N 2.823 117.290 114.554 -0.145 0.000 2.729 490 T HA 0.286 4.636 4.350 0.000 0.000 0.296 490 T C 0.581 175.230 174.700 -0.085 0.000 0.928 490 T CA -0.396 61.640 62.100 -0.107 0.000 1.045 490 T CB 1.095 69.918 68.868 -0.075 0.000 0.902 490 T HN 0.774 nan 8.240 nan 0.000 0.500 491 G N 0.000 108.753 108.800 -0.079 0.000 5.446 491 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 491 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 491 G CA 0.000 45.065 45.100 -0.059 0.000 0.502 491 G HN 0.000 nan 8.290 nan 0.000 0.925