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 2bb6_1_D DATA FIRST_RESID 1 DATA SEQUENCE NIcEITEVDS TLVERLGQRL LPWMDRLSQE QLNPSIYVGL RLSSLQAGAK DATA SEQUENCE EAHYLHSLKL SYQQSLLRPA SNKDDNDSEA KPSMGQLALY LLALRANcEF DATA SEQUENCE IGGRKGDRLV SQLKRFLEDE KRAIGHNHQG HPRTSYYQYS LGILALcVHQ DATA SEQUENCE KRVHDSVVGK LLYAVEHKPH LLQDHVSVDT MAMAGMAFSc LELSNLNPKQ DATA SEQUENCE RNRINLALKR VQEKILKAQT PEGYFGNVYS TPLALQLLMG SLRPSVELGT DATA SEQUENCE AcLKAKAALQ ASLQHKTFQN PLMISQLLPV LNQKSYVDLI SPDcQAPRAL DATA SEQUENCE LEPALETPPQ AKVPKFIDVL LKVSGISPSY RHSVSVPAGS SLEDILKNAQ DATA SEQUENCE EHGRFRFRTQ ASLSGPFLTS VLGRKAGERE FWQVLRDPDT PLQQGIADYR DATA SEQUENCE PKDGETIELR LVGW 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 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.512 175.510 0.004 0.000 1.280 1 N CA 0.000 53.050 53.050 0.001 0.000 0.885 1 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 2 I N 1.430 122.005 120.570 0.008 0.000 2.454 2 I HA -0.157 4.013 4.170 -0.000 0.000 0.254 2 I C 0.970 177.099 176.117 0.021 0.000 1.156 2 I CA 1.238 62.545 61.300 0.012 0.000 1.433 2 I CB 0.087 38.095 38.000 0.014 0.000 1.082 2 I HN 0.704 nan 8.210 nan 0.000 0.432 3 c N 0.992 119.607 118.600 0.024 0.000 2.576 3 c HA 0.111 4.681 4.570 -0.000 0.000 0.267 3 c C 0.993 175.099 174.090 0.027 0.000 1.364 3 c CA -0.347 56.005 56.329 0.038 0.000 1.723 3 c CB -1.637 40.895 42.510 0.038 0.000 1.778 3 c HN 0.391 nan 8.230 nan 0.000 0.572 4 E N 0.767 120.973 120.200 0.011 0.000 2.331 4 E HA 0.322 4.672 4.350 -0.000 0.000 0.272 4 E C -0.428 176.171 176.600 -0.002 0.000 1.036 4 E CA -0.081 56.319 56.400 -0.000 0.000 0.864 4 E CB 0.844 30.540 29.700 -0.007 0.000 1.035 4 E HN 0.417 nan 8.360 nan 0.000 0.408 5 I N 3.105 123.669 120.570 -0.010 0.000 2.337 5 I HA 0.007 4.177 4.170 -0.000 0.000 0.291 5 I C 1.234 177.339 176.117 -0.020 0.000 1.046 5 I CA 0.093 61.383 61.300 -0.016 0.000 1.324 5 I CB 0.799 38.783 38.000 -0.026 0.000 1.409 5 I HN 0.681 nan 8.210 nan 0.000 0.494 6 T N 0.990 115.534 114.554 -0.017 0.000 3.056 6 T HA 0.121 4.471 4.350 -0.000 0.000 0.241 6 T C 0.840 175.528 174.700 -0.020 0.000 1.006 6 T CA 0.007 62.096 62.100 -0.018 0.000 1.115 6 T CB 0.266 69.126 68.868 -0.014 0.000 0.939 6 T HN 0.326 nan 8.240 nan 0.000 0.462 7 E N 2.872 123.060 120.200 -0.020 0.000 2.069 7 E HA 0.393 4.743 4.350 -0.000 0.000 0.254 7 E C -0.810 175.774 176.600 -0.026 0.000 1.088 7 E CA -0.117 56.270 56.400 -0.021 0.000 1.017 7 E CB 0.681 30.370 29.700 -0.019 0.000 1.226 7 E HN 0.408 nan 8.360 nan 0.000 0.458 8 V N 0.608 120.504 119.914 -0.029 0.000 2.547 8 V HA 0.243 4.363 4.120 -0.000 0.000 0.299 8 V C 0.329 176.405 176.094 -0.031 0.000 1.040 8 V CA -1.282 60.997 62.300 -0.035 0.000 0.913 8 V CB 1.875 33.672 31.823 -0.044 0.000 0.992 8 V HN 0.242 nan 8.190 nan 0.000 0.449 9 D N 2.464 122.845 120.400 -0.032 0.000 2.401 9 D HA 0.130 4.770 4.640 -0.000 0.000 0.254 9 D C 1.463 177.746 176.300 -0.028 0.000 1.192 9 D CA 0.745 54.728 54.000 -0.028 0.000 0.885 9 D CB 1.436 42.219 40.800 -0.028 0.000 1.147 9 D HN 0.770 nan 8.370 nan 0.000 0.478 10 S N 1.642 117.328 115.700 -0.023 0.000 2.419 10 S HA -0.228 4.242 4.470 -0.000 0.000 0.233 10 S C 1.870 176.459 174.600 -0.019 0.000 1.016 10 S CA 1.551 59.738 58.200 -0.022 0.000 0.974 10 S CB -0.687 62.502 63.200 -0.018 0.000 0.786 10 S HN 0.638 nan 8.310 nan 0.000 0.492 11 T N -0.407 114.137 114.554 -0.016 0.000 2.985 11 T HA 0.140 4.490 4.350 -0.000 0.000 0.266 11 T C 1.717 176.410 174.700 -0.012 0.000 1.076 11 T CA 0.578 62.671 62.100 -0.012 0.000 1.135 11 T CB -0.464 68.398 68.868 -0.009 0.000 0.890 11 T HN 0.231 nan 8.240 nan 0.000 0.480 12 L N 1.843 123.055 121.223 -0.019 0.000 2.027 12 L HA 0.098 4.438 4.340 -0.000 0.000 0.206 12 L C 2.670 179.526 176.870 -0.024 0.000 1.074 12 L CA 1.322 56.149 54.840 -0.021 0.000 0.745 12 L CB -1.314 40.725 42.059 -0.034 0.000 0.898 12 L HN 0.212 nan 8.230 nan 0.000 0.433 13 V N 0.134 120.029 119.914 -0.031 0.000 2.332 13 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 13 V C 2.621 178.702 176.094 -0.021 0.000 1.055 13 V CA 1.973 64.252 62.300 -0.035 0.000 1.038 13 V CB -0.710 31.089 31.823 -0.039 0.000 0.651 13 V HN 0.561 nan 8.190 nan 0.000 0.450 14 E N 0.172 120.364 120.200 -0.014 0.000 2.085 14 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 14 E C 2.480 179.083 176.600 0.006 0.000 0.994 14 E CA 1.434 57.832 56.400 -0.005 0.000 0.801 14 E CB -0.091 29.607 29.700 -0.004 0.000 0.743 14 E HN 0.511 nan 8.360 nan 0.000 0.453 15 R N 0.018 120.522 120.500 0.008 0.000 2.091 15 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 15 R C 2.613 178.933 176.300 0.034 0.000 1.136 15 R CA 1.419 57.532 56.100 0.022 0.000 0.959 15 R CB -0.317 29.996 30.300 0.021 0.000 0.856 15 R HN 0.280 nan 8.270 nan 0.000 0.437 16 L N -0.768 120.469 121.223 0.022 0.000 2.017 16 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 16 L C 2.618 179.508 176.870 0.034 0.000 1.073 16 L CA 1.547 56.405 54.840 0.030 0.000 0.745 16 L CB -0.878 41.175 42.059 -0.009 0.000 0.894 16 L HN 0.367 nan 8.230 nan 0.000 0.432 17 G N -1.019 107.790 108.800 0.016 0.000 2.442 17 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 17 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 17 G C 1.502 176.426 174.900 0.040 0.000 1.141 17 G CA 0.499 45.609 45.100 0.017 0.000 0.763 17 G HN 0.401 nan 8.290 nan 0.000 0.554 18 Q N -0.329 119.496 119.800 0.042 0.000 2.170 18 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 18 Q C 2.785 178.835 176.000 0.084 0.000 0.976 18 Q CA 0.880 56.715 55.803 0.052 0.000 0.858 18 Q CB -0.077 28.685 28.738 0.040 0.000 0.907 18 Q HN 0.434 nan 8.270 nan 0.000 0.433 19 R N -0.053 120.508 120.500 0.102 0.000 2.115 19 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 19 R C 2.118 178.561 176.300 0.238 0.000 1.111 19 R CA 0.818 57.012 56.100 0.156 0.000 0.976 19 R CB -0.076 30.311 30.300 0.145 0.000 0.870 19 R HN 0.236 nan 8.270 nan 0.000 0.445 20 L N 0.175 121.504 121.223 0.176 0.000 2.156 20 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 20 L C 2.119 179.136 176.870 0.245 0.000 1.095 20 L CA 0.381 55.345 54.840 0.207 0.000 0.770 20 L CB -0.341 41.762 42.059 0.072 0.000 0.914 20 L HN 0.195 nan 8.230 nan 0.000 0.439 21 L N 1.333 122.642 121.223 0.145 0.000 1.997 21 L HA -0.184 4.156 4.340 -0.000 0.000 0.216 21 L C -0.313 176.611 176.870 0.090 0.000 1.074 21 L CA 2.450 57.346 54.840 0.093 0.000 0.763 21 L CB -1.686 40.408 42.059 0.058 0.000 0.890 21 L HN 0.141 nan 8.230 nan 0.000 0.434 22 P HA -0.186 nan 4.420 nan 0.000 0.222 22 P C 1.249 178.471 177.300 -0.131 0.000 1.147 22 P CA 1.478 64.540 63.100 -0.062 0.000 0.790 22 P CB -0.371 31.241 31.700 -0.148 0.000 0.780 23 W N -0.646 120.687 121.300 0.055 0.000 2.425 23 W HA 0.019 4.679 4.660 -0.000 0.000 0.277 23 W C 2.321 178.917 176.519 0.128 0.000 1.231 23 W CA 0.420 57.819 57.345 0.090 0.000 1.248 23 W CB -1.027 28.473 29.460 0.068 0.000 1.117 23 W HN -0.170 nan 8.180 nan 0.000 0.568 24 M N -0.085 119.633 119.600 0.197 0.000 2.435 24 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 24 M C 0.320 176.807 176.300 0.312 0.000 1.065 24 M CA 1.458 56.863 55.300 0.174 0.000 1.076 24 M CB -0.921 31.730 32.600 0.084 0.000 1.403 24 M HN -0.011 nan 8.290 nan 0.000 0.454 25 D N -0.468 120.052 120.400 0.200 0.000 2.398 25 D HA 0.124 4.764 4.640 -0.000 0.000 0.210 25 D C 0.204 176.581 176.300 0.129 0.000 1.094 25 D CA 0.151 54.241 54.000 0.151 0.000 0.839 25 D CB 0.364 41.198 40.800 0.057 0.000 0.963 25 D HN 0.254 nan 8.370 nan 0.000 0.506 26 R N 0.984 121.594 120.500 0.184 0.000 2.346 26 R HA 0.391 4.731 4.340 -0.000 0.000 0.309 26 R C 0.673 177.100 176.300 0.211 0.000 1.119 26 R CA -0.069 56.116 56.100 0.141 0.000 1.112 26 R CB 0.663 30.997 30.300 0.055 0.000 1.132 26 R HN -0.040 nan 8.270 nan 0.000 0.538 27 L N 0.866 122.157 121.223 0.113 0.000 2.808 27 L HA 0.161 4.501 4.340 -0.000 0.000 0.246 27 L C 0.711 177.578 176.870 -0.005 0.000 1.153 27 L CA -0.170 54.685 54.840 0.025 0.000 0.956 27 L CB 0.506 42.581 42.059 0.027 0.000 1.270 27 L HN 0.442 nan 8.230 nan 0.000 0.528 28 S N -0.945 114.772 115.700 0.028 0.000 2.589 28 S HA -0.043 4.427 4.470 -0.000 0.000 0.265 28 S C 1.048 175.648 174.600 0.000 0.000 1.342 28 S CA -0.165 58.041 58.200 0.011 0.000 1.005 28 S CB 1.260 64.474 63.200 0.024 0.000 0.909 28 S HN 0.363 nan 8.310 nan 0.000 0.555 29 Q N 0.809 120.594 119.800 -0.025 0.000 2.096 29 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 29 Q C 1.999 177.983 176.000 -0.027 0.000 0.982 29 Q CA 2.131 57.902 55.803 -0.053 0.000 0.850 29 Q CB -0.280 28.411 28.738 -0.079 0.000 0.901 29 Q HN 0.984 nan 8.270 nan 0.000 0.422 30 E N -0.971 119.234 120.200 0.007 0.000 2.481 30 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 30 E C 1.346 178.007 176.600 0.101 0.000 1.047 30 E CA 0.473 56.894 56.400 0.036 0.000 0.867 30 E CB 0.164 29.884 29.700 0.033 0.000 0.858 30 E HN 0.531 nan 8.360 nan 0.000 0.513 31 Q N 0.402 120.283 119.800 0.134 0.000 2.392 31 Q HA 0.245 4.585 4.340 -0.000 0.000 0.219 31 Q C 0.469 176.633 176.000 0.273 0.000 0.895 31 Q CA -0.171 55.787 55.803 0.259 0.000 0.929 31 Q CB 0.605 29.515 28.738 0.285 0.000 1.077 31 Q HN 0.253 nan 8.270 nan 0.000 0.532 32 L N 2.427 123.740 121.223 0.151 0.000 2.490 32 L HA 0.047 4.387 4.340 -0.000 0.000 0.274 32 L C 0.067 177.065 176.870 0.214 0.000 1.201 32 L CA 0.068 54.972 54.840 0.107 0.000 0.869 32 L CB 0.189 42.230 42.059 -0.030 0.000 1.123 32 L HN 0.117 nan 8.230 nan 0.000 0.484 33 N N 4.625 123.527 118.700 0.335 0.000 2.581 33 N HA 0.254 4.994 4.740 -0.000 0.000 0.279 33 N C -2.134 173.580 175.510 0.340 0.000 1.124 33 N CA -1.543 51.681 53.050 0.290 0.000 0.833 33 N CB 2.021 40.637 38.487 0.216 0.000 1.338 33 N HN 0.130 nan 8.380 nan 0.000 0.533 34 P HA -0.079 nan 4.420 nan 0.000 0.222 34 P C 1.266 178.669 177.300 0.172 0.000 1.147 34 P CA 0.808 64.013 63.100 0.174 0.000 0.790 34 P CB 0.516 32.223 31.700 0.011 0.000 0.780 35 S N -0.778 114.999 115.700 0.128 0.000 2.383 35 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 35 S C 1.883 176.548 174.600 0.108 0.000 1.026 35 S CA 0.573 58.832 58.200 0.099 0.000 0.981 35 S CB -0.882 62.372 63.200 0.091 0.000 0.818 35 S HN -0.015 nan 8.310 nan 0.000 0.472 36 I N 0.117 120.749 120.570 0.103 0.000 2.226 36 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 36 I C 2.217 178.348 176.117 0.024 0.000 1.100 36 I CA 1.534 62.853 61.300 0.032 0.000 1.374 36 I CB -0.423 37.568 38.000 -0.014 0.000 1.057 36 I HN 0.412 nan 8.210 nan 0.000 0.413 37 Y N 1.194 121.492 120.300 -0.003 0.000 2.163 37 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 37 Y C 2.458 178.363 175.900 0.007 0.000 1.136 37 Y CA 1.610 59.709 58.100 -0.001 0.000 1.147 37 Y CB -0.348 38.201 38.460 0.147 0.000 0.987 37 Y HN -0.157 nan 8.280 nan 0.000 0.509 38 V N 0.286 120.269 119.914 0.115 0.000 2.287 38 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 38 V C 2.622 178.710 176.094 -0.009 0.000 1.053 38 V CA 2.063 64.380 62.300 0.028 0.000 1.027 38 V CB -1.628 30.227 31.823 0.054 0.000 0.646 38 V HN 0.657 nan 8.190 nan 0.000 0.447 39 G N -0.337 108.481 108.800 0.029 0.000 2.440 39 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 39 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 39 G C 1.504 176.369 174.900 -0.059 0.000 1.154 39 G CA 0.786 45.896 45.100 0.018 0.000 0.767 39 G HN 0.347 nan 8.290 nan 0.000 0.552 40 L N 0.190 121.339 121.223 -0.123 0.000 2.056 40 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 40 L C 3.004 179.763 176.870 -0.185 0.000 1.078 40 L CA 1.210 55.957 54.840 -0.155 0.000 0.749 40 L CB -0.851 41.090 42.059 -0.196 0.000 0.901 40 L HN 0.162 nan 8.230 nan 0.000 0.433 41 R N -0.046 120.285 120.500 -0.283 0.000 2.096 41 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 41 R C 2.052 178.272 176.300 -0.133 0.000 1.127 41 R CA 0.892 56.840 56.100 -0.254 0.000 0.968 41 R CB -0.672 29.422 30.300 -0.343 0.000 0.861 41 R HN 0.376 nan 8.270 nan 0.000 0.440 42 L N 1.264 122.431 121.223 -0.093 0.000 2.591 42 L HA 0.045 4.385 4.340 -0.000 0.000 0.228 42 L C 1.176 178.013 176.870 -0.054 0.000 1.133 42 L CA -0.094 54.714 54.840 -0.052 0.000 0.880 42 L CB -0.197 41.855 42.059 -0.011 0.000 1.033 42 L HN 0.083 nan 8.230 nan 0.000 0.450 43 S N -1.228 114.432 115.700 -0.065 0.000 2.686 43 S HA 0.140 4.610 4.470 -0.000 0.000 0.270 43 S C 1.163 175.731 174.600 -0.053 0.000 1.194 43 S CA -0.056 58.109 58.200 -0.058 0.000 0.990 43 S CB 1.398 64.562 63.200 -0.060 0.000 1.029 43 S HN 0.187 nan 8.310 nan 0.000 0.560 44 S N -0.307 115.366 115.700 -0.046 0.000 2.605 44 S HA 0.332 4.802 4.470 -0.000 0.000 0.217 44 S C 0.217 174.795 174.600 -0.036 0.000 0.958 44 S CA -0.540 57.636 58.200 -0.039 0.000 0.919 44 S CB -0.928 62.252 63.200 -0.034 0.000 0.780 44 S HN 0.570 nan 8.310 nan 0.000 0.507 45 L N 1.392 122.590 121.223 -0.041 0.000 2.319 45 L HA 0.670 5.010 4.340 -0.000 0.000 0.267 45 L C -0.693 176.150 176.870 -0.044 0.000 1.011 45 L CA -1.086 53.732 54.840 -0.036 0.000 0.818 45 L CB 1.852 43.892 42.059 -0.031 0.000 1.316 45 L HN 0.218 nan 8.230 nan 0.000 0.432 46 Q N 0.538 120.318 119.800 -0.033 0.000 2.315 46 Q HA 0.681 5.021 4.340 -0.000 0.000 0.273 46 Q C -0.942 175.047 176.000 -0.018 0.000 1.053 46 Q CA -0.781 55.002 55.803 -0.034 0.000 0.817 46 Q CB 2.095 30.816 28.738 -0.028 0.000 1.326 46 Q HN 0.599 nan 8.270 nan 0.000 0.423 47 A N 2.041 124.852 122.820 -0.015 0.000 2.532 47 A HA 0.641 4.961 4.320 -0.000 0.000 0.273 47 A C 1.112 178.711 177.584 0.025 0.000 1.342 47 A CA 0.341 52.382 52.037 0.006 0.000 0.929 47 A CB -1.095 17.908 19.000 0.005 0.000 1.051 47 A HN 1.451 nan 8.150 nan 0.000 0.521 48 G N -0.099 108.713 108.800 0.020 0.000 2.582 48 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.288 48 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.288 48 G C 1.340 176.270 174.900 0.051 0.000 1.247 48 G CA 0.612 45.729 45.100 0.028 0.000 0.972 48 G HN 1.539 nan 8.290 nan 0.000 0.557 49 A N -0.487 122.362 122.820 0.048 0.000 2.178 49 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 49 A C 2.209 179.857 177.584 0.107 0.000 1.157 49 A CA 2.330 54.405 52.037 0.063 0.000 0.689 49 A CB -0.392 18.627 19.000 0.032 0.000 0.787 49 A HN 0.675 nan 8.150 nan 0.000 0.465 50 K N -0.149 120.317 120.400 0.110 0.000 2.148 50 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 50 K C 1.801 178.556 176.600 0.258 0.000 1.050 50 K CA 1.439 57.830 56.287 0.174 0.000 0.942 50 K CB -0.087 32.491 32.500 0.131 0.000 0.724 50 K HN 0.661 nan 8.250 nan 0.000 0.446 51 E N 0.594 120.922 120.200 0.212 0.000 2.017 51 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 51 E C 2.145 178.992 176.600 0.410 0.000 0.997 51 E CA 1.217 57.800 56.400 0.305 0.000 0.804 51 E CB -0.181 29.630 29.700 0.185 0.000 0.757 51 E HN 0.320 nan 8.360 nan 0.000 0.448 52 A N 1.122 124.116 122.820 0.291 0.000 1.940 52 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 52 A C 1.954 179.682 177.584 0.240 0.000 1.176 52 A CA 2.038 54.219 52.037 0.240 0.000 0.631 52 A CB -0.809 18.288 19.000 0.162 0.000 0.814 52 A HN 0.303 nan 8.150 nan 0.000 0.446 53 H N -2.384 116.786 119.070 0.166 0.000 2.353 53 H HA -0.186 4.370 4.556 -0.000 0.000 0.300 53 H C 1.791 177.241 175.328 0.203 0.000 1.090 53 H CA 2.209 58.352 56.048 0.157 0.000 1.327 53 H CB -0.373 29.467 29.762 0.131 0.000 1.383 53 H HN 0.574 nan 8.280 nan 0.000 0.508 54 Y N -0.424 119.958 120.300 0.137 0.000 2.145 54 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 54 Y C 2.346 178.212 175.900 -0.056 0.000 1.145 54 Y CA 1.429 59.573 58.100 0.074 0.000 1.148 54 Y CB -0.373 38.208 38.460 0.201 0.000 0.981 54 Y HN 0.317 nan 8.280 nan 0.000 0.507 55 L N -0.349 120.888 121.223 0.022 0.000 2.046 55 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 55 L C 2.316 179.121 176.870 -0.109 0.000 1.077 55 L CA 2.342 57.025 54.840 -0.262 0.000 0.747 55 L CB -1.100 40.710 42.059 -0.414 0.000 0.896 55 L HN 0.345 nan 8.230 nan 0.000 0.432 56 H N -1.226 117.775 119.070 -0.116 0.000 2.352 56 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 56 H C 2.271 177.507 175.328 -0.154 0.000 1.097 56 H CA 1.938 57.922 56.048 -0.106 0.000 1.311 56 H CB 0.011 29.722 29.762 -0.085 0.000 1.377 56 H HN 0.399 nan 8.280 nan 0.000 0.504 57 S N -0.275 115.311 115.700 -0.190 0.000 2.368 57 S HA -0.108 4.362 4.470 -0.000 0.000 0.225 57 S C 2.284 176.752 174.600 -0.220 0.000 1.030 57 S CA 1.140 59.189 58.200 -0.251 0.000 0.999 57 S CB -0.239 62.770 63.200 -0.318 0.000 0.844 57 S HN 0.331 nan 8.310 nan 0.000 0.459 58 L N 1.231 122.322 121.223 -0.220 0.000 1.994 58 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 58 L C 2.469 179.288 176.870 -0.086 0.000 1.071 58 L CA 1.386 56.155 54.840 -0.118 0.000 0.745 58 L CB -0.490 41.493 42.059 -0.126 0.000 0.892 58 L HN 0.249 nan 8.230 nan 0.000 0.431 59 K N -0.372 119.997 120.400 -0.052 0.000 2.044 59 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 59 K C 2.011 178.514 176.600 -0.162 0.000 1.049 59 K CA 1.260 57.520 56.287 -0.045 0.000 0.927 59 K CB -0.321 32.142 32.500 -0.061 0.000 0.713 59 K HN 0.056 nan 8.250 nan 0.000 0.443 60 L N 0.937 122.019 121.223 -0.235 0.000 2.046 60 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 60 L C 2.600 179.379 176.870 -0.151 0.000 1.077 60 L CA 1.639 56.355 54.840 -0.207 0.000 0.747 60 L CB -1.074 40.848 42.059 -0.229 0.000 0.896 60 L HN 0.176 nan 8.230 nan 0.000 0.432 61 S N -1.720 113.899 115.700 -0.135 0.000 2.345 61 S HA -0.196 4.274 4.470 -0.000 0.000 0.219 61 S C 2.167 176.652 174.600 -0.192 0.000 1.031 61 S CA 0.903 59.020 58.200 -0.138 0.000 0.984 61 S CB -0.382 62.752 63.200 -0.109 0.000 0.874 61 S HN 0.370 nan 8.310 nan 0.000 0.451 62 Y N 1.942 122.017 120.300 -0.376 0.000 2.181 62 Y HA -0.067 4.483 4.550 -0.000 0.000 0.288 62 Y C 2.835 178.520 175.900 -0.358 0.000 1.146 62 Y CA 1.830 59.648 58.100 -0.470 0.000 1.164 62 Y CB -0.641 37.247 38.460 -0.953 0.000 0.982 62 Y HN 0.413 nan 8.280 nan 0.000 0.515 63 Q N -0.302 119.396 119.800 -0.170 0.000 2.046 63 Q HA -0.277 4.063 4.340 -0.000 0.000 0.200 63 Q C 2.328 178.265 176.000 -0.105 0.000 0.975 63 Q CA 1.860 57.593 55.803 -0.116 0.000 0.836 63 Q CB -0.289 28.399 28.738 -0.083 0.000 0.896 63 Q HN 0.668 nan 8.270 nan 0.000 0.428 64 Q N -0.294 119.438 119.800 -0.114 0.000 2.119 64 Q HA -0.087 4.253 4.340 -0.000 0.000 0.201 64 Q C 1.911 177.846 176.000 -0.108 0.000 0.972 64 Q CA 1.789 57.533 55.803 -0.098 0.000 0.847 64 Q CB -0.201 28.482 28.738 -0.092 0.000 0.903 64 Q HN 0.013 nan 8.270 nan 0.000 0.433 65 S N 0.141 115.752 115.700 -0.149 0.000 2.395 65 S HA 0.115 4.585 4.470 -0.000 0.000 0.225 65 S C 1.649 176.164 174.600 -0.143 0.000 1.027 65 S CA 0.810 58.912 58.200 -0.163 0.000 0.965 65 S CB -0.004 63.052 63.200 -0.241 0.000 0.812 65 S HN 0.394 nan 8.310 nan 0.000 0.482 66 L N 0.449 121.587 121.223 -0.143 0.000 2.477 66 L HA 0.284 4.624 4.340 -0.000 0.000 0.220 66 L C 0.010 176.838 176.870 -0.069 0.000 1.106 66 L CA 0.426 55.202 54.840 -0.107 0.000 0.851 66 L CB 0.014 42.010 42.059 -0.105 0.000 0.994 66 L HN 0.140 nan 8.230 nan 0.000 0.462 67 L N 0.768 121.952 121.223 -0.066 0.000 2.719 67 L HA 0.344 4.683 4.340 -0.000 0.000 0.236 67 L C 0.086 176.929 176.870 -0.044 0.000 1.221 67 L CA -0.127 54.686 54.840 -0.045 0.000 1.048 67 L CB 0.220 42.256 42.059 -0.038 0.000 1.364 67 L HN 0.079 nan 8.230 nan 0.000 0.447 68 R N 1.047 121.521 120.500 -0.044 0.000 2.500 68 R HA 0.477 4.817 4.340 -0.000 0.000 0.277 68 R C -1.879 174.402 176.300 -0.031 0.000 1.026 68 R CA -1.629 54.446 56.100 -0.042 0.000 1.058 68 R CB 0.604 30.876 30.300 -0.046 0.000 1.078 68 R HN 0.114 nan 8.270 nan 0.000 0.509 69 P HA -0.200 nan 4.420 nan 0.000 0.269 69 P C -0.328 176.961 177.300 -0.019 0.000 1.153 69 P CA 0.563 63.650 63.100 -0.022 0.000 0.754 69 P CB 0.392 32.079 31.700 -0.022 0.000 0.758 70 A N 1.566 124.377 122.820 -0.015 0.000 2.248 70 A HA 0.085 4.405 4.320 -0.000 0.000 0.210 70 A C 1.386 178.963 177.584 -0.012 0.000 1.174 70 A CA 1.642 53.672 52.037 -0.013 0.000 0.750 70 A CB -0.499 18.495 19.000 -0.010 0.000 0.780 70 A HN 0.698 nan 8.150 nan 0.000 0.478 71 S N -2.714 112.978 115.700 -0.013 0.000 6.768 71 S HA 0.054 4.524 4.470 -0.000 0.000 0.077 71 S C 0.053 174.645 174.600 -0.013 0.000 1.316 71 S CA 0.242 58.434 58.200 -0.012 0.000 1.269 71 S CB -0.306 62.889 63.200 -0.010 0.000 1.717 71 S HN 0.431 nan 8.310 nan 0.000 0.552 72 N N 2.730 121.423 118.700 -0.013 0.000 2.498 72 N HA -0.096 4.644 4.740 -0.000 0.000 0.297 72 N C 0.306 175.808 175.510 -0.013 0.000 1.338 72 N CA 0.858 53.900 53.050 -0.013 0.000 0.681 72 N CB -0.450 38.028 38.487 -0.015 0.000 0.952 72 N HN 0.621 nan 8.380 nan 0.000 0.524 73 K N 0.050 120.444 120.400 -0.011 0.000 2.988 73 K HA -0.316 4.004 4.320 -0.000 0.000 0.275 73 K C 0.280 176.874 176.600 -0.011 0.000 0.706 73 K CA 2.611 58.891 56.287 -0.011 0.000 1.177 73 K CB -0.416 32.078 32.500 -0.010 0.000 0.936 73 K HN 0.890 nan 8.250 nan 0.000 0.672 74 D N -1.245 119.148 120.400 -0.012 0.000 2.490 74 D HA 0.264 4.903 4.640 -0.000 0.000 0.232 74 D C -0.215 176.076 176.300 -0.014 0.000 1.053 74 D CA -0.122 53.871 54.000 -0.012 0.000 0.914 74 D CB 1.747 42.540 40.800 -0.011 0.000 1.431 74 D HN 0.272 nan 8.370 nan 0.000 0.483 75 D N -0.237 120.155 120.400 -0.014 0.000 2.482 75 D HA -0.034 4.606 4.640 -0.000 0.000 0.251 75 D C 1.260 177.551 176.300 -0.015 0.000 1.073 75 D CA -0.147 53.844 54.000 -0.015 0.000 0.892 75 D CB -0.340 40.452 40.800 -0.014 0.000 1.202 75 D HN 0.288 nan 8.370 nan 0.000 0.496 76 N N 1.065 119.758 118.700 -0.011 0.000 1.444 76 N HA -0.222 4.518 4.740 -0.000 0.000 0.135 76 N C -0.381 175.123 175.510 -0.010 0.000 0.224 76 N CA 2.112 55.156 53.050 -0.010 0.000 1.239 76 N CB -0.916 37.565 38.487 -0.010 0.000 1.316 76 N HN 0.268 nan 8.380 nan 0.000 0.549 77 D N -0.708 119.684 120.400 -0.012 0.000 2.357 77 D HA 0.111 4.751 4.640 -0.000 0.000 0.242 77 D C 0.961 177.251 176.300 -0.017 0.000 1.153 77 D CA 0.197 54.189 54.000 -0.013 0.000 0.918 77 D CB 1.420 42.211 40.800 -0.015 0.000 1.181 77 D HN 0.360 nan 8.370 nan 0.000 0.435 78 S N 0.098 115.789 115.700 -0.015 0.000 2.650 78 S HA -0.095 4.375 4.470 -0.000 0.000 0.182 78 S C 0.913 175.494 174.600 -0.032 0.000 0.832 78 S CA -0.172 58.016 58.200 -0.019 0.000 0.860 78 S CB -0.042 63.154 63.200 -0.007 0.000 0.818 78 S HN 0.588 nan 8.310 nan 0.000 0.600 79 E N 1.588 121.771 120.200 -0.027 0.000 2.780 79 E HA 0.161 4.511 4.350 -0.000 0.000 0.234 79 E C 0.491 177.058 176.600 -0.055 0.000 1.425 79 E CA 0.224 56.600 56.400 -0.040 0.000 1.481 79 E CB -0.263 29.424 29.700 -0.022 0.000 1.357 79 E HN 0.442 nan 8.360 nan 0.000 0.431 80 A N 1.414 124.196 122.820 -0.063 0.000 2.278 80 A HA 0.090 4.410 4.320 -0.000 0.000 0.212 80 A C 0.491 178.004 177.584 -0.118 0.000 1.213 80 A CA 0.001 51.990 52.037 -0.080 0.000 0.840 80 A CB 0.163 19.122 19.000 -0.067 0.000 0.866 80 A HN 0.161 nan 8.150 nan 0.000 0.489 81 K N 0.906 121.231 120.400 -0.125 0.000 2.397 81 K HA 0.454 4.774 4.320 -0.000 0.000 0.253 81 K C -3.022 173.456 176.600 -0.205 0.000 0.932 81 K CA -2.060 54.125 56.287 -0.170 0.000 0.795 81 K CB 1.865 34.289 32.500 -0.126 0.000 1.159 81 K HN -0.024 nan 8.250 nan 0.000 0.424 82 P HA -0.039 nan 4.420 nan 0.000 0.269 82 P C -0.343 176.839 177.300 -0.197 0.000 1.209 82 P CA -0.191 62.708 63.100 -0.336 0.000 0.776 82 P CB 0.662 31.929 31.700 -0.722 0.000 0.876 83 S N 1.981 117.598 115.700 -0.137 0.000 2.634 83 S HA 0.197 4.667 4.470 -0.000 0.000 0.261 83 S C 1.274 175.767 174.600 -0.178 0.000 1.271 83 S CA -0.525 57.593 58.200 -0.136 0.000 0.985 83 S CB 0.252 63.383 63.200 -0.116 0.000 0.968 83 S HN 0.213 nan 8.310 nan 0.000 0.568 84 M N 0.932 120.335 119.600 -0.329 0.000 2.254 84 M HA 0.052 4.532 4.480 -0.000 0.000 0.265 84 M C 2.287 178.295 176.300 -0.486 0.000 1.066 84 M CA 1.528 56.526 55.300 -0.504 0.000 1.123 84 M CB -2.117 29.890 32.600 -0.989 0.000 1.388 84 M HN 0.962 nan 8.290 nan 0.000 0.425 85 G N -0.071 108.465 108.800 -0.439 0.000 2.402 85 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 85 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 85 G C 1.509 176.373 174.900 -0.060 0.000 1.162 85 G CA 0.369 45.352 45.100 -0.195 0.000 0.777 85 G HN 0.492 nan 8.290 nan 0.000 0.539 86 Q N -0.654 119.133 119.800 -0.023 0.000 2.119 86 Q HA -0.006 4.334 4.340 -0.000 0.000 0.201 86 Q C 2.439 178.568 176.000 0.216 0.000 0.972 86 Q CA 0.910 56.780 55.803 0.113 0.000 0.847 86 Q CB -0.229 28.588 28.738 0.131 0.000 0.903 86 Q HN 0.430 nan 8.270 nan 0.000 0.433 87 L N 0.711 122.032 121.223 0.162 0.000 2.083 87 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 87 L C 2.126 179.047 176.870 0.085 0.000 1.083 87 L CA 1.994 56.945 54.840 0.184 0.000 0.752 87 L CB -0.799 41.314 42.059 0.089 0.000 0.899 87 L HN 0.115 nan 8.230 nan 0.000 0.433 88 A N -0.334 122.486 122.820 0.001 0.000 1.883 88 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 88 A C 2.280 179.836 177.584 -0.047 0.000 1.186 88 A CA 2.180 54.201 52.037 -0.026 0.000 0.624 88 A CB -0.983 17.989 19.000 -0.046 0.000 0.822 88 A HN 0.514 nan 8.150 nan 0.000 0.444 89 L N -2.160 119.040 121.223 -0.038 0.000 2.083 89 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 89 L C 2.560 179.377 176.870 -0.090 0.000 1.083 89 L CA 1.622 56.416 54.840 -0.077 0.000 0.752 89 L CB -0.605 41.438 42.059 -0.027 0.000 0.899 89 L HN 0.606 nan 8.230 nan 0.000 0.433 90 Y N 0.498 120.642 120.300 -0.259 0.000 2.128 90 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 90 Y C 2.252 178.023 175.900 -0.216 0.000 1.154 90 Y CA 1.509 59.365 58.100 -0.407 0.000 1.149 90 Y CB -0.233 37.764 38.460 -0.772 0.000 0.976 90 Y HN -0.025 nan 8.280 nan 0.000 0.505 91 L N 0.019 121.102 121.223 -0.233 0.000 2.079 91 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 91 L C 2.460 179.309 176.870 -0.034 0.000 1.081 91 L CA 1.586 56.313 54.840 -0.188 0.000 0.752 91 L CB -1.009 40.994 42.059 -0.093 0.000 0.896 91 L HN 0.329 nan 8.230 nan 0.000 0.433 92 L N -1.403 119.754 121.223 -0.110 0.000 2.046 92 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 92 L C 2.676 179.480 176.870 -0.111 0.000 1.077 92 L CA 1.226 55.982 54.840 -0.140 0.000 0.747 92 L CB -0.967 40.942 42.059 -0.250 0.000 0.896 92 L HN 0.299 nan 8.230 nan 0.000 0.432 93 A N 0.351 123.101 122.820 -0.116 0.000 1.940 93 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 93 A C 2.271 179.811 177.584 -0.073 0.000 1.176 93 A CA 1.494 53.529 52.037 -0.004 0.000 0.631 93 A CB -0.666 18.270 19.000 -0.108 0.000 0.814 93 A HN 0.371 nan 8.150 nan 0.000 0.446 94 L N -1.365 119.705 121.223 -0.256 0.000 2.056 94 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 94 L C 2.856 179.643 176.870 -0.139 0.000 1.078 94 L CA 1.001 55.719 54.840 -0.204 0.000 0.749 94 L CB -0.515 41.418 42.059 -0.210 0.000 0.901 94 L HN 0.252 nan 8.230 nan 0.000 0.433 95 R N 0.364 120.744 120.500 -0.199 0.000 2.081 95 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 95 R C 2.283 178.469 176.300 -0.189 0.000 1.131 95 R CA 1.451 57.350 56.100 -0.335 0.000 0.960 95 R CB -1.042 29.013 30.300 -0.408 0.000 0.856 95 R HN 0.349 nan 8.270 nan 0.000 0.436 96 A N 0.933 123.708 122.820 -0.075 0.000 2.019 96 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 96 A C 1.753 179.350 177.584 0.022 0.000 1.164 96 A CA 1.645 53.672 52.037 -0.017 0.000 0.644 96 A CB -0.446 18.575 19.000 0.035 0.000 0.805 96 A HN 0.307 nan 8.150 nan 0.000 0.449 97 N N -1.405 117.339 118.700 0.073 0.000 2.313 97 N HA 0.077 4.817 4.740 -0.000 0.000 0.207 97 N C -0.058 175.440 175.510 -0.019 0.000 1.141 97 N CA 0.482 53.577 53.050 0.075 0.000 0.830 97 N CB -0.809 37.753 38.487 0.125 0.000 1.008 97 N HN 0.343 nan 8.380 nan 0.000 0.481 98 c N 0.786 119.329 118.600 -0.094 0.000 4.365 98 c HA -0.169 4.401 4.570 -0.000 0.000 0.299 98 c C -0.266 173.722 174.090 -0.170 0.000 1.409 98 c CA 0.274 56.512 56.329 -0.151 0.000 2.007 98 c CB -2.607 39.856 42.510 -0.079 0.000 1.264 98 c HN 0.484 nan 8.230 nan 0.000 0.777 99 E N -1.101 118.982 120.200 -0.196 0.000 2.207 99 E HA 0.699 5.049 4.350 -0.000 0.000 0.270 99 E C -0.442 176.019 176.600 -0.232 0.000 0.927 99 E CA -0.631 55.694 56.400 -0.124 0.000 0.799 99 E CB 1.132 30.815 29.700 -0.028 0.000 1.172 99 E HN 0.279 nan 8.360 nan 0.000 0.404 100 F N 1.328 121.318 119.950 0.066 0.000 2.399 100 F HA 0.328 4.855 4.527 -0.000 0.000 0.334 100 F C 0.561 176.464 175.800 0.172 0.000 1.097 100 F CA -0.860 57.249 58.000 0.182 0.000 1.076 100 F CB 0.814 39.882 39.000 0.114 0.000 1.162 100 F HN 0.367 nan 8.300 nan 0.000 0.495 101 I N 2.307 123.095 120.570 0.363 0.000 2.618 101 I HA 0.440 4.610 4.170 -0.000 0.000 0.284 101 I C 0.307 176.479 176.117 0.092 0.000 1.146 101 I CA 0.930 62.246 61.300 0.026 0.000 1.425 101 I CB -0.261 37.549 38.000 -0.317 0.000 1.383 101 I HN 0.621 nan 8.210 nan 0.000 0.562 102 G N 3.866 112.704 108.800 0.063 0.000 2.682 102 G HA2 0.628 4.588 3.960 -0.000 0.000 0.290 102 G HA3 0.628 4.588 3.960 -0.000 0.000 0.290 102 G C -0.452 174.471 174.900 0.037 0.000 1.425 102 G CA -0.297 44.838 45.100 0.058 0.000 0.807 102 G HN 1.199 nan 8.290 nan 0.000 0.482 103 G N -0.600 108.218 108.800 0.030 0.000 2.752 103 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.234 103 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.234 103 G C 0.909 175.818 174.900 0.016 0.000 1.367 103 G CA 0.596 45.709 45.100 0.022 0.000 0.879 103 G HN 0.831 nan 8.290 nan 0.000 0.563 104 R N -0.052 120.455 120.500 0.013 0.000 2.066 104 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 104 R C 2.850 179.155 176.300 0.009 0.000 1.131 104 R CA 1.700 57.806 56.100 0.009 0.000 0.955 104 R CB -0.273 30.031 30.300 0.006 0.000 0.851 104 R HN 0.502 nan 8.270 nan 0.000 0.432 105 K N -0.319 120.087 120.400 0.011 0.000 2.026 105 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 105 K C 2.152 178.762 176.600 0.018 0.000 1.048 105 K CA 1.543 57.837 56.287 0.011 0.000 0.929 105 K CB -0.710 31.796 32.500 0.011 0.000 0.713 105 K HN 0.297 nan 8.250 nan 0.000 0.439 106 G N 2.527 111.340 108.800 0.023 0.000 2.491 106 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 106 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 106 G C 1.120 176.022 174.900 0.003 0.000 1.180 106 G CA 1.220 46.329 45.100 0.016 0.000 0.774 106 G HN 0.242 nan 8.290 nan 0.000 0.562 107 D N 0.269 120.672 120.400 0.006 0.000 2.144 107 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 107 D C 2.664 178.967 176.300 0.005 0.000 0.984 107 D CA 0.566 54.568 54.000 0.004 0.000 0.834 107 D CB -0.224 40.580 40.800 0.006 0.000 0.955 107 D HN 0.295 nan 8.370 nan 0.000 0.465 108 R N 0.041 120.545 120.500 0.006 0.000 2.075 108 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 108 R C 2.533 178.838 176.300 0.008 0.000 1.126 108 R CA 0.570 56.674 56.100 0.006 0.000 0.963 108 R CB -0.298 30.003 30.300 0.002 0.000 0.858 108 R HN 0.236 nan 8.270 nan 0.000 0.435 109 L N 0.166 121.396 121.223 0.012 0.000 2.056 109 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 109 L C 2.422 179.299 176.870 0.013 0.000 1.078 109 L CA 0.902 55.753 54.840 0.019 0.000 0.749 109 L CB -0.503 41.584 42.059 0.047 0.000 0.901 109 L HN 0.013 nan 8.230 nan 0.000 0.433 110 V N -0.579 119.335 119.914 -0.001 0.000 2.287 110 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 110 V C 2.609 178.712 176.094 0.015 0.000 1.053 110 V CA 2.136 64.434 62.300 -0.004 0.000 1.027 110 V CB -0.522 31.293 31.823 -0.013 0.000 0.646 110 V HN 0.396 nan 8.190 nan 0.000 0.447 111 S N -0.615 115.095 115.700 0.016 0.000 2.370 111 S HA -0.300 4.170 4.470 -0.000 0.000 0.226 111 S C 1.975 176.595 174.600 0.033 0.000 1.033 111 S CA 1.731 59.944 58.200 0.022 0.000 1.011 111 S CB -0.376 62.834 63.200 0.016 0.000 0.852 111 S HN 0.676 nan 8.310 nan 0.000 0.457 112 Q N 0.070 119.889 119.800 0.032 0.000 2.084 112 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 112 Q C 2.239 178.286 176.000 0.079 0.000 0.978 112 Q CA 1.077 56.906 55.803 0.044 0.000 0.844 112 Q CB -0.320 28.432 28.738 0.024 0.000 0.898 112 Q HN 0.345 nan 8.270 nan 0.000 0.426 113 L N 1.215 122.478 121.223 0.066 0.000 2.056 113 L HA -0.140 4.199 4.340 -0.000 0.000 0.207 113 L C 1.872 178.824 176.870 0.135 0.000 1.078 113 L CA 1.797 56.697 54.840 0.099 0.000 0.749 113 L CB -0.273 41.814 42.059 0.048 0.000 0.901 113 L HN -0.003 nan 8.230 nan 0.000 0.433 114 K N -0.851 119.594 120.400 0.074 0.000 2.063 114 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 114 K C 2.221 178.852 176.600 0.051 0.000 1.048 114 K CA 1.591 57.908 56.287 0.050 0.000 0.928 114 K CB -0.174 32.348 32.500 0.036 0.000 0.713 114 K HN 0.296 nan 8.250 nan 0.000 0.442 115 R N 0.018 120.558 120.500 0.067 0.000 2.073 115 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 115 R C 2.232 178.581 176.300 0.081 0.000 1.134 115 R CA 1.662 57.798 56.100 0.060 0.000 0.952 115 R CB -0.469 29.867 30.300 0.061 0.000 0.850 115 R HN 0.181 nan 8.270 nan 0.000 0.433 116 F N 1.648 121.595 119.950 -0.005 0.000 2.063 116 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 116 F C 1.804 177.607 175.800 0.005 0.000 1.109 116 F CA 1.664 59.665 58.000 0.001 0.000 1.212 116 F CB -0.389 38.610 39.000 -0.002 0.000 0.973 116 F HN -0.074 nan 8.300 nan 0.000 0.480 117 L N -0.200 120.931 121.223 -0.152 0.000 2.046 117 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 117 L C 2.463 179.241 176.870 -0.154 0.000 1.077 117 L CA 1.706 56.361 54.840 -0.308 0.000 0.747 117 L CB -0.787 41.121 42.059 -0.253 0.000 0.896 117 L HN 0.164 nan 8.230 nan 0.000 0.432 118 E N 0.390 120.544 120.200 -0.077 0.000 2.077 118 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 118 E C 1.764 178.334 176.600 -0.050 0.000 0.989 118 E CA 1.356 57.735 56.400 -0.035 0.000 0.800 118 E CB 0.001 29.689 29.700 -0.020 0.000 0.746 118 E HN 0.344 nan 8.360 nan 0.000 0.452 119 D N 0.239 120.590 120.400 -0.081 0.000 2.117 119 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 119 D C 1.742 177.967 176.300 -0.125 0.000 0.987 119 D CA 0.890 54.838 54.000 -0.086 0.000 0.829 119 D CB -0.101 40.657 40.800 -0.070 0.000 0.961 119 D HN 0.238 nan 8.370 nan 0.000 0.460 120 E N 0.762 120.834 120.200 -0.213 0.000 2.072 120 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 120 E C 1.984 178.547 176.600 -0.062 0.000 0.985 120 E CA 0.481 56.772 56.400 -0.181 0.000 0.801 120 E CB -0.165 29.382 29.700 -0.256 0.000 0.750 120 E HN 0.341 nan 8.360 nan 0.000 0.452 121 K N 1.199 121.639 120.400 0.066 0.000 2.063 121 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 121 K C 2.265 178.853 176.600 -0.020 0.000 1.048 121 K CA 1.561 57.882 56.287 0.057 0.000 0.928 121 K CB -0.037 32.534 32.500 0.119 0.000 0.713 121 K HN -0.086 nan 8.250 nan 0.000 0.442 122 R N 0.042 120.527 120.500 -0.027 0.000 2.090 122 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 122 R C 2.112 178.388 176.300 -0.039 0.000 1.110 122 R CA 1.250 57.333 56.100 -0.029 0.000 0.973 122 R CB -0.287 29.995 30.300 -0.030 0.000 0.869 122 R HN 0.265 nan 8.270 nan 0.000 0.440 123 A N 0.948 123.730 122.820 -0.063 0.000 1.933 123 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 123 A C 2.092 179.631 177.584 -0.075 0.000 1.175 123 A CA 1.458 53.450 52.037 -0.075 0.000 0.628 123 A CB -0.456 18.484 19.000 -0.100 0.000 0.814 123 A HN 0.381 nan 8.150 nan 0.000 0.444 124 I N -1.338 119.173 120.570 -0.097 0.000 2.233 124 I HA 0.091 4.261 4.170 -0.000 0.000 0.243 124 I C 1.789 177.837 176.117 -0.116 0.000 1.093 124 I CA 0.953 62.194 61.300 -0.097 0.000 1.380 124 I CB -0.770 37.152 38.000 -0.130 0.000 1.067 124 I HN 0.580 nan 8.210 nan 0.000 0.413 125 G N 0.156 108.894 108.800 -0.103 0.000 2.553 125 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 125 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 125 G C -0.165 174.574 174.900 -0.268 0.000 1.277 125 G CA -0.040 44.992 45.100 -0.113 0.000 0.910 125 G HN 0.380 nan 8.290 nan 0.000 0.576 126 H N 2.624 121.224 119.070 -0.782 0.000 3.792 126 H HA 0.235 4.791 4.556 -0.000 0.000 0.216 126 H C 1.593 176.381 175.328 -0.900 0.000 1.525 126 H CA 0.665 56.291 56.048 -0.704 0.000 1.309 126 H CB -1.044 28.529 29.762 -0.315 0.000 1.540 126 H HN 0.556 nan 8.280 nan 0.000 0.711 127 N N -0.646 117.658 118.700 -0.660 0.000 2.900 127 N HA -0.263 4.477 4.740 -0.000 0.000 0.240 127 N C 1.033 176.387 175.510 -0.260 0.000 0.953 127 N CA 1.622 54.352 53.050 -0.533 0.000 0.950 127 N CB -1.013 36.818 38.487 -1.093 0.000 1.102 127 N HN 0.756 nan 8.380 nan 0.000 0.593 128 H N -0.287 118.750 119.070 -0.055 0.000 3.457 128 H HA 0.135 4.691 4.556 0.000 0.000 0.260 128 H C 1.311 176.636 175.328 -0.005 0.000 1.329 128 H CA 0.187 56.228 56.048 -0.011 0.000 1.671 128 H CB -0.616 29.138 29.762 -0.014 0.000 1.577 128 H HN -0.077 nan 8.280 nan 0.000 0.884 129 Q N 2.162 122.148 119.800 0.311 0.000 2.452 129 Q HA -0.119 4.221 4.340 -0.000 0.000 0.218 129 Q C 0.124 176.102 176.000 -0.036 0.000 0.999 129 Q CA 1.572 57.415 55.803 0.066 0.000 0.938 129 Q CB -0.711 28.020 28.738 -0.012 0.000 0.925 129 Q HN 0.688 nan 8.270 nan 0.000 0.446 130 G N -0.240 108.582 108.800 0.036 0.000 2.470 130 G HA2 0.523 4.483 3.960 -0.000 0.000 0.320 130 G HA3 0.523 4.483 3.960 -0.000 0.000 0.320 130 G C -1.520 173.408 174.900 0.048 0.000 1.245 130 G CA -0.619 44.452 45.100 -0.049 0.000 0.935 130 G HN 0.359 nan 8.290 nan 0.000 0.476 131 H N 1.756 120.775 119.070 -0.084 0.000 2.567 131 H HA 0.414 4.970 4.556 -0.000 0.000 0.345 131 H C -2.137 173.056 175.328 -0.226 0.000 1.169 131 H CA -2.159 53.801 56.048 -0.146 0.000 1.227 131 H CB 1.967 31.632 29.762 -0.162 0.000 1.607 131 H HN 0.273 nan 8.280 nan 0.000 0.534 132 P HA -0.061 nan 4.420 nan 0.000 0.267 132 P C 0.722 177.952 177.300 -0.117 0.000 1.200 132 P CA 0.045 62.988 63.100 -0.262 0.000 0.772 132 P CB 0.962 32.411 31.700 -0.418 0.000 0.855 133 R N 1.525 121.978 120.500 -0.078 0.000 2.105 133 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 133 R C 1.313 177.638 176.300 0.042 0.000 1.135 133 R CA 2.365 58.456 56.100 -0.016 0.000 0.967 133 R CB -0.461 29.847 30.300 0.014 0.000 0.861 133 R HN 0.685 nan 8.270 nan 0.000 0.442 134 T N -2.430 112.179 114.554 0.091 0.000 3.440 134 T HA 0.170 4.520 4.350 -0.000 0.000 0.209 134 T C 0.756 175.537 174.700 0.134 0.000 0.906 134 T CA 0.259 62.456 62.100 0.163 0.000 1.757 134 T CB -0.037 69.009 68.868 0.297 0.000 1.568 134 T HN 0.315 nan 8.240 nan 0.000 0.454 135 S N -0.952 114.830 115.700 0.137 0.000 2.567 135 S HA 0.456 4.926 4.470 -0.000 0.000 0.270 135 S C -0.231 174.423 174.600 0.090 0.000 1.152 135 S CA -0.876 57.401 58.200 0.128 0.000 0.835 135 S CB 0.440 63.790 63.200 0.250 0.000 1.115 135 S HN 0.287 nan 8.310 nan 0.000 0.459 136 Y N 0.137 120.534 120.300 0.162 0.000 2.403 136 Y HA -0.033 4.517 4.550 -0.000 0.000 0.291 136 Y C 2.148 178.185 175.900 0.227 0.000 1.143 136 Y CA 1.721 59.909 58.100 0.148 0.000 1.257 136 Y CB -0.540 37.957 38.460 0.062 0.000 0.984 136 Y HN 0.875 nan 8.280 nan 0.000 0.550 137 Y N 0.924 121.374 120.300 0.250 0.000 2.097 137 Y HA -0.334 4.216 4.550 -0.000 0.000 0.282 137 Y C 2.352 178.363 175.900 0.185 0.000 1.152 137 Y CA 2.068 60.276 58.100 0.181 0.000 1.136 137 Y CB -0.411 38.128 38.460 0.130 0.000 0.975 137 Y HN 0.120 nan 8.280 nan 0.000 0.498 138 Q N -1.559 118.490 119.800 0.416 0.000 2.167 138 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 138 Q C 2.031 178.239 176.000 0.346 0.000 0.970 138 Q CA 1.625 57.628 55.803 0.333 0.000 0.855 138 Q CB -0.435 28.521 28.738 0.363 0.000 0.911 138 Q HN 0.641 nan 8.270 nan 0.000 0.438 139 Y N 1.114 121.544 120.300 0.217 0.000 2.128 139 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 139 Y C 2.511 178.473 175.900 0.103 0.000 1.154 139 Y CA 1.920 60.113 58.100 0.154 0.000 1.149 139 Y CB -0.096 38.412 38.460 0.080 0.000 0.976 139 Y HN 0.007 nan 8.280 nan 0.000 0.505 140 S N 0.092 115.922 115.700 0.218 0.000 2.368 140 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 140 S C 1.869 176.420 174.600 -0.081 0.000 1.030 140 S CA 1.326 59.535 58.200 0.015 0.000 0.999 140 S CB -0.731 62.424 63.200 -0.076 0.000 0.844 140 S HN 0.433 nan 8.310 nan 0.000 0.459 141 L N 2.284 123.442 121.223 -0.108 0.000 2.017 141 L HA 0.015 4.355 4.340 -0.000 0.000 0.208 141 L C 2.283 179.120 176.870 -0.054 0.000 1.073 141 L CA 2.112 56.878 54.840 -0.123 0.000 0.745 141 L CB -1.443 40.531 42.059 -0.142 0.000 0.894 141 L HN 0.293 nan 8.230 nan 0.000 0.432 142 G N -0.077 108.725 108.800 0.003 0.000 2.491 142 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 142 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 142 G C 1.646 176.529 174.900 -0.028 0.000 1.180 142 G CA 1.380 46.490 45.100 0.015 0.000 0.774 142 G HN 0.498 nan 8.290 nan 0.000 0.562 143 I N 0.149 120.674 120.570 -0.074 0.000 2.179 143 I HA -0.143 4.027 4.170 -0.000 0.000 0.242 143 I C 2.600 178.707 176.117 -0.017 0.000 1.088 143 I CA 0.739 62.006 61.300 -0.055 0.000 1.357 143 I CB -0.281 37.685 38.000 -0.057 0.000 1.051 143 I HN 0.194 nan 8.210 nan 0.000 0.409 144 L N 1.327 122.530 121.223 -0.033 0.000 2.042 144 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 144 L C 2.521 179.389 176.870 -0.003 0.000 1.076 144 L CA 2.222 57.049 54.840 -0.021 0.000 0.749 144 L CB -0.774 41.259 42.059 -0.043 0.000 0.893 144 L HN 0.183 nan 8.230 nan 0.000 0.432 145 A N -0.720 122.093 122.820 -0.011 0.000 1.930 145 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 145 A C 2.257 179.902 177.584 0.101 0.000 1.175 145 A CA 1.752 53.803 52.037 0.023 0.000 0.627 145 A CB -0.797 18.198 19.000 -0.009 0.000 0.815 145 A HN 0.513 nan 8.150 nan 0.000 0.443 146 L N -1.025 120.236 121.223 0.064 0.000 2.027 146 L HA -0.221 4.119 4.340 -0.000 0.000 0.206 146 L C 2.828 179.769 176.870 0.118 0.000 1.074 146 L CA 1.395 56.286 54.840 0.086 0.000 0.745 146 L CB -0.684 41.402 42.059 0.045 0.000 0.898 146 L HN 0.648 nan 8.230 nan 0.000 0.433 147 c N 0.060 118.707 118.600 0.079 0.000 2.413 147 c HA -0.135 4.435 4.570 -0.000 0.000 0.276 147 c C 2.891 177.032 174.090 0.086 0.000 1.248 147 c CA 1.166 57.540 56.329 0.075 0.000 1.742 147 c CB -0.637 41.906 42.510 0.054 0.000 2.017 147 c HN 0.511 nan 8.230 nan 0.000 0.481 148 V N -1.606 118.343 119.914 0.059 0.000 2.913 148 V HA -0.076 4.044 4.120 -0.000 0.000 0.260 148 V C 2.018 178.088 176.094 -0.040 0.000 1.098 148 V CA 2.134 64.427 62.300 -0.011 0.000 1.121 148 V CB -1.325 30.442 31.823 -0.093 0.000 0.714 148 V HN 0.714 nan 8.190 nan 0.000 0.487 149 H N 0.327 119.471 119.070 0.122 0.000 2.526 149 H HA 0.240 4.796 4.556 -0.000 0.000 0.274 149 H C 0.455 175.946 175.328 0.270 0.000 0.999 149 H CA 0.464 56.681 56.048 0.281 0.000 1.157 149 H CB 0.366 30.234 29.762 0.176 0.000 1.407 149 H HN 0.502 nan 8.280 nan 0.000 0.568 150 Q N 0.458 120.406 119.800 0.247 0.000 2.475 150 Q HA -0.165 4.175 4.340 -0.000 0.000 0.280 150 Q C -0.478 175.574 176.000 0.087 0.000 1.234 150 Q CA 0.706 56.584 55.803 0.125 0.000 0.873 150 Q CB -1.283 27.488 28.738 0.054 0.000 1.256 150 Q HN 0.408 nan 8.270 nan 0.000 0.475 151 K N 0.724 121.191 120.400 0.111 0.000 2.185 151 K HA 0.439 4.759 4.320 -0.000 0.000 0.269 151 K C 0.422 177.055 176.600 0.055 0.000 0.987 151 K CA -0.569 55.760 56.287 0.071 0.000 0.865 151 K CB 1.764 34.306 32.500 0.071 0.000 1.090 151 K HN 0.119 nan 8.250 nan 0.000 0.450 152 R N 1.524 122.048 120.500 0.040 0.000 2.404 152 R HA 0.337 4.677 4.340 -0.000 0.000 0.291 152 R C -0.058 176.265 176.300 0.038 0.000 1.025 152 R CA -0.536 55.584 56.100 0.034 0.000 0.991 152 R CB 1.060 31.373 30.300 0.022 0.000 1.053 152 R HN 0.495 nan 8.270 nan 0.000 0.479 153 V N 0.304 120.242 119.914 0.040 0.000 2.994 153 V HA 0.356 4.476 4.120 -0.000 0.000 0.318 153 V C 0.252 176.391 176.094 0.075 0.000 1.085 153 V CA -0.966 61.369 62.300 0.057 0.000 0.998 153 V CB 1.525 33.371 31.823 0.038 0.000 1.063 153 V HN 0.769 nan 8.190 nan 0.000 0.447 154 H N 1.381 120.464 119.070 0.022 0.000 2.871 154 H HA 0.041 4.597 4.556 -0.000 0.000 0.355 154 H C 0.603 175.954 175.328 0.039 0.000 1.092 154 H CA 0.983 57.047 56.048 0.027 0.000 1.420 154 H CB 1.345 31.121 29.762 0.025 0.000 1.400 154 H HN 0.934 nan 8.280 nan 0.000 0.604 155 D N 2.241 122.437 120.400 -0.341 0.000 2.149 155 D HA -0.225 4.415 4.640 -0.000 0.000 0.194 155 D C 2.163 178.536 176.300 0.122 0.000 1.001 155 D CA 2.132 56.063 54.000 -0.116 0.000 0.849 155 D CB -0.262 40.407 40.800 -0.219 0.000 0.939 155 D HN 0.648 nan 8.370 nan 0.000 0.449 156 S N -0.312 115.633 115.700 0.409 0.000 2.399 156 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 156 S C 2.179 176.907 174.600 0.212 0.000 1.022 156 S CA 0.965 59.334 58.200 0.282 0.000 0.983 156 S CB -0.582 62.759 63.200 0.235 0.000 0.803 156 S HN 0.128 nan 8.310 nan 0.000 0.480 157 V N 1.622 121.676 119.914 0.234 0.000 2.323 157 V HA -0.100 4.020 4.120 -0.000 0.000 0.244 157 V C 2.685 178.954 176.094 0.291 0.000 1.041 157 V CA 1.593 64.031 62.300 0.229 0.000 1.025 157 V CB -0.755 31.139 31.823 0.117 0.000 0.656 157 V HN 0.471 nan 8.190 nan 0.000 0.451 158 V N 1.110 121.154 119.914 0.217 0.000 2.407 158 V HA -0.183 3.936 4.120 -0.000 0.000 0.248 158 V C 2.668 178.919 176.094 0.261 0.000 1.055 158 V CA 2.037 64.487 62.300 0.250 0.000 1.049 158 V CB -1.552 30.377 31.823 0.177 0.000 0.662 158 V HN 0.616 nan 8.190 nan 0.000 0.455 159 G N 0.239 109.152 108.800 0.187 0.000 2.469 159 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 159 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 159 G C 1.642 176.639 174.900 0.162 0.000 1.150 159 G CA 0.798 45.984 45.100 0.142 0.000 0.763 159 G HN 0.411 nan 8.290 nan 0.000 0.561 160 K N -0.154 120.351 120.400 0.175 0.000 2.097 160 K HA 0.015 4.335 4.320 -0.000 0.000 0.206 160 K C 2.387 179.092 176.600 0.174 0.000 1.049 160 K CA 0.593 56.953 56.287 0.121 0.000 0.933 160 K CB -0.670 31.851 32.500 0.036 0.000 0.717 160 K HN 0.352 nan 8.250 nan 0.000 0.442 161 L N 1.412 122.810 121.223 0.292 0.000 2.056 161 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 161 L C 2.174 179.227 176.870 0.306 0.000 1.078 161 L CA 1.284 56.310 54.840 0.310 0.000 0.749 161 L CB -0.521 41.831 42.059 0.489 0.000 0.901 161 L HN 0.046 nan 8.230 nan 0.000 0.433 162 L N -1.920 119.489 121.223 0.311 0.000 2.012 162 L HA -0.292 4.048 4.340 -0.000 0.000 0.210 162 L C 2.513 179.456 176.870 0.122 0.000 1.073 162 L CA 1.804 56.736 54.840 0.153 0.000 0.748 162 L CB -0.880 41.203 42.059 0.041 0.000 0.891 162 L HN 0.311 nan 8.230 nan 0.000 0.431 163 Y N 0.528 120.841 120.300 0.022 0.000 2.165 163 Y HA -0.306 4.244 4.550 -0.000 0.000 0.286 163 Y C 2.473 178.363 175.900 -0.016 0.000 1.155 163 Y CA 1.370 59.466 58.100 -0.006 0.000 1.164 163 Y CB -0.266 38.143 38.460 -0.087 0.000 0.978 163 Y HN 0.132 nan 8.280 nan 0.000 0.513 164 A N -0.933 121.942 122.820 0.091 0.000 1.902 164 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 164 A C 2.350 179.854 177.584 -0.134 0.000 1.181 164 A CA 1.951 53.891 52.037 -0.162 0.000 0.623 164 A CB -1.274 17.277 19.000 -0.748 0.000 0.818 164 A HN 0.326 nan 8.150 nan 0.000 0.443 165 V N -0.137 119.757 119.914 -0.033 0.000 2.358 165 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 165 V C 2.436 178.533 176.094 0.005 0.000 1.047 165 V CA 2.337 64.662 62.300 0.043 0.000 1.035 165 V CB -0.724 31.205 31.823 0.176 0.000 0.658 165 V HN 0.649 nan 8.190 nan 0.000 0.452 166 E N -1.310 118.866 120.200 -0.040 0.000 2.028 166 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 166 E C 0.779 177.281 176.600 -0.164 0.000 0.984 166 E CA 0.737 57.083 56.400 -0.091 0.000 0.800 166 E CB -0.028 29.639 29.700 -0.055 0.000 0.758 166 E HN 0.617 nan 8.360 nan 0.000 0.448 167 H N -0.093 118.759 119.070 -0.363 0.000 2.547 167 H HA 0.151 4.707 4.556 -0.000 0.000 0.362 167 H C 0.384 175.612 175.328 -0.166 0.000 1.181 167 H CA 0.035 55.852 56.048 -0.385 0.000 1.376 167 H CB 0.850 30.119 29.762 -0.822 0.000 1.488 167 H HN -0.190 nan 8.280 nan 0.000 0.583 168 K N 2.313 122.667 120.400 -0.076 0.000 2.520 168 K HA 0.115 4.435 4.320 -0.000 0.000 0.205 168 K C -1.754 174.862 176.600 0.026 0.000 1.035 168 K CA -0.691 55.566 56.287 -0.050 0.000 1.188 168 K CB -0.211 32.230 32.500 -0.100 0.000 0.894 168 K HN 0.591 nan 8.250 nan 0.000 0.497 169 P HA 0.112 nan 4.420 nan 0.000 0.312 169 P C -0.766 176.610 177.300 0.127 0.000 1.308 169 P CA -0.361 62.789 63.100 0.083 0.000 0.743 169 P CB 0.601 32.352 31.700 0.084 0.000 1.364 170 H N -0.769 118.312 119.070 0.019 0.000 2.581 170 H HA 0.308 4.864 4.556 -0.000 0.000 0.308 170 H C 0.717 176.062 175.328 0.027 0.000 1.040 170 H CA -0.331 55.726 56.048 0.014 0.000 1.231 170 H CB 0.004 29.778 29.762 0.020 0.000 1.396 170 H HN 0.110 nan 8.280 nan 0.000 0.467 171 L N 3.896 124.995 121.223 -0.206 0.000 2.141 171 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 171 L C 0.316 177.022 176.870 -0.272 0.000 1.094 171 L CA 0.656 55.391 54.840 -0.176 0.000 0.763 171 L CB -0.218 41.767 42.059 -0.123 0.000 0.908 171 L HN 0.497 nan 8.230 nan 0.000 0.437 172 L N 0.901 121.750 121.223 -0.624 0.000 2.385 172 L HA 0.108 4.448 4.340 -0.000 0.000 0.281 172 L C 0.577 177.334 176.870 -0.188 0.000 1.106 172 L CA 0.453 55.057 54.840 -0.394 0.000 0.856 172 L CB -0.120 41.706 42.059 -0.387 0.000 1.186 172 L HN 0.204 nan 8.230 nan 0.000 0.453 173 Q N 1.990 121.804 119.800 0.023 0.000 2.432 173 Q HA -0.059 4.281 4.340 -0.000 0.000 0.264 173 Q C 0.776 176.861 176.000 0.142 0.000 1.035 173 Q CA -0.009 55.868 55.803 0.123 0.000 0.908 173 Q CB 0.870 29.749 28.738 0.236 0.000 1.280 173 Q HN 0.578 nan 8.270 nan 0.000 0.455 174 D N 0.792 121.286 120.400 0.157 0.000 2.133 174 D HA -0.240 4.400 4.640 -0.000 0.000 0.192 174 D C 1.619 177.997 176.300 0.131 0.000 1.001 174 D CA 1.698 55.788 54.000 0.150 0.000 0.844 174 D CB 0.136 41.020 40.800 0.141 0.000 0.944 174 D HN 0.618 nan 8.370 nan 0.000 0.447 175 H N 0.146 119.242 119.070 0.043 0.000 2.353 175 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 175 H C 1.919 177.242 175.328 -0.008 0.000 1.090 175 H CA 2.348 58.390 56.048 -0.011 0.000 1.327 175 H CB -0.028 29.669 29.762 -0.108 0.000 1.383 175 H HN 0.103 nan 8.280 nan 0.000 0.508 176 V N -2.405 117.488 119.914 -0.035 0.000 3.506 176 V HA 0.076 4.196 4.120 -0.000 0.000 0.263 176 V C 2.225 178.341 176.094 0.037 0.000 1.203 176 V CA 0.967 63.239 62.300 -0.047 0.000 1.133 176 V CB -0.180 31.707 31.823 0.108 0.000 0.802 176 V HN 0.386 nan 8.190 nan 0.000 0.459 177 S N 0.997 116.740 115.700 0.071 0.000 2.349 177 S HA -0.164 4.306 4.470 -0.000 0.000 0.216 177 S C 1.915 176.600 174.600 0.142 0.000 1.033 177 S CA 2.245 60.530 58.200 0.143 0.000 1.021 177 S CB -0.352 62.980 63.200 0.221 0.000 0.968 177 S HN 0.482 nan 8.310 nan 0.000 0.426 178 V N 2.256 122.240 119.914 0.117 0.000 2.332 178 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 178 V C 2.042 178.203 176.094 0.112 0.000 1.055 178 V CA 2.466 64.831 62.300 0.109 0.000 1.038 178 V CB -1.158 30.741 31.823 0.126 0.000 0.651 178 V HN 0.532 nan 8.190 nan 0.000 0.450 179 D N -0.307 120.165 120.400 0.119 0.000 2.117 179 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 179 D C 2.213 178.696 176.300 0.305 0.000 0.987 179 D CA 1.823 55.942 54.000 0.199 0.000 0.829 179 D CB -0.468 40.411 40.800 0.132 0.000 0.961 179 D HN 0.381 nan 8.370 nan 0.000 0.460 180 T N 0.490 115.214 114.554 0.283 0.000 2.777 180 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 180 T C 1.982 176.753 174.700 0.119 0.000 1.040 180 T CA 0.820 63.085 62.100 0.275 0.000 1.141 180 T CB -0.129 68.896 68.868 0.261 0.000 0.868 180 T HN 0.139 nan 8.240 nan 0.000 0.444 181 M N 1.186 120.849 119.600 0.105 0.000 2.117 181 M HA -0.042 4.438 4.480 -0.000 0.000 0.262 181 M C 2.855 179.162 176.300 0.012 0.000 1.065 181 M CA 1.561 56.897 55.300 0.060 0.000 1.114 181 M CB -0.872 31.772 32.600 0.074 0.000 1.361 181 M HN 0.304 nan 8.290 nan 0.000 0.408 182 A N 0.124 122.959 122.820 0.024 0.000 1.898 182 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 182 A C 2.168 179.729 177.584 -0.039 0.000 1.181 182 A CA 1.647 53.680 52.037 -0.007 0.000 0.620 182 A CB -0.535 18.477 19.000 0.020 0.000 0.819 182 A HN 0.430 nan 8.150 nan 0.000 0.442 183 M N 0.154 119.724 119.600 -0.051 0.000 2.132 183 M HA 0.054 4.534 4.480 -0.000 0.000 0.263 183 M C 2.172 178.351 176.300 -0.202 0.000 1.065 183 M CA 1.590 56.799 55.300 -0.152 0.000 1.122 183 M CB -0.656 31.707 32.600 -0.395 0.000 1.365 183 M HN 0.366 nan 8.290 nan 0.000 0.411 184 A N -0.438 122.249 122.820 -0.222 0.000 1.908 184 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 184 A C 2.339 179.502 177.584 -0.701 0.000 1.181 184 A CA 1.945 53.698 52.037 -0.473 0.000 0.627 184 A CB -1.834 16.961 19.000 -0.342 0.000 0.818 184 A HN 0.614 nan 8.150 nan 0.000 0.445 185 G N -0.994 107.638 108.800 -0.280 0.000 2.402 185 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.216 185 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.216 185 G C 1.646 176.512 174.900 -0.057 0.000 1.162 185 G CA 1.103 46.162 45.100 -0.069 0.000 0.777 185 G HN 0.460 nan 8.290 nan 0.000 0.539 186 M N 0.704 120.254 119.600 -0.084 0.000 2.175 186 M HA 0.012 4.492 4.480 -0.000 0.000 0.264 186 M C 3.061 179.338 176.300 -0.038 0.000 1.063 186 M CA 1.241 56.521 55.300 -0.032 0.000 1.119 186 M CB -0.228 32.371 32.600 -0.002 0.000 1.377 186 M HN 0.334 nan 8.290 nan 0.000 0.415 187 A N 0.536 123.276 122.820 -0.133 0.000 1.877 187 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 187 A C 1.776 179.371 177.584 0.018 0.000 1.186 187 A CA 1.558 53.532 52.037 -0.105 0.000 0.620 187 A CB -0.925 17.959 19.000 -0.195 0.000 0.822 187 A HN 0.376 nan 8.150 nan 0.000 0.443 188 F N 0.388 120.358 119.950 0.033 0.000 2.126 188 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 188 F C 2.984 178.796 175.800 0.019 0.000 1.096 188 F CA 0.971 58.987 58.000 0.028 0.000 1.255 188 F CB -1.231 37.783 39.000 0.023 0.000 0.997 188 F HN 0.282 nan 8.300 nan 0.000 0.479 189 S N -0.764 115.057 115.700 0.201 0.000 2.353 189 S HA -0.257 4.213 4.470 -0.000 0.000 0.222 189 S C 2.494 177.144 174.600 0.083 0.000 1.035 189 S CA 1.632 59.899 58.200 0.112 0.000 1.025 189 S CB -1.019 62.224 63.200 0.072 0.000 0.902 189 S HN 0.540 nan 8.310 nan 0.000 0.440 190 c N 1.333 119.976 118.600 0.072 0.000 2.413 190 c HA -0.020 4.550 4.570 -0.000 0.000 0.276 190 c C 2.557 176.687 174.090 0.068 0.000 1.236 190 c CA 1.188 57.552 56.329 0.058 0.000 1.735 190 c CB -1.777 40.761 42.510 0.046 0.000 2.031 190 c HN 0.705 nan 8.230 nan 0.000 0.474 191 L N 0.494 121.773 121.223 0.092 0.000 2.042 191 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 191 L C 2.681 179.592 176.870 0.069 0.000 1.076 191 L CA 2.279 57.173 54.840 0.090 0.000 0.749 191 L CB -0.896 41.242 42.059 0.131 0.000 0.893 191 L HN 0.530 nan 8.230 nan 0.000 0.432 192 E N 0.710 120.954 120.200 0.074 0.000 2.028 192 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 192 E C 2.371 178.992 176.600 0.036 0.000 0.988 192 E CA 1.039 57.467 56.400 0.047 0.000 0.799 192 E CB -0.075 29.653 29.700 0.047 0.000 0.755 192 E HN 0.393 nan 8.360 nan 0.000 0.447 193 L N 0.473 121.720 121.223 0.040 0.000 2.127 193 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 193 L C 2.350 179.238 176.870 0.030 0.000 1.089 193 L CA 1.159 56.017 54.840 0.031 0.000 0.757 193 L CB -0.086 41.992 42.059 0.032 0.000 0.899 193 L HN 0.092 nan 8.230 nan 0.000 0.434 194 S N -1.287 114.435 115.700 0.036 0.000 2.548 194 S HA 0.014 4.484 4.470 -0.000 0.000 0.215 194 S C 0.679 175.295 174.600 0.027 0.000 0.976 194 S CA 0.002 58.223 58.200 0.035 0.000 0.908 194 S CB -0.110 63.117 63.200 0.045 0.000 0.781 194 S HN 0.494 nan 8.310 nan 0.000 0.519 195 N N 0.910 119.625 118.700 0.025 0.000 2.725 195 N HA -0.162 4.578 4.740 -0.000 0.000 0.251 195 N C 0.358 175.876 175.510 0.015 0.000 1.031 195 N CA 0.246 53.306 53.050 0.017 0.000 0.720 195 N CB -1.728 36.765 38.487 0.010 0.000 0.930 195 N HN 0.402 nan 8.380 nan 0.000 0.543 196 L N -1.313 119.924 121.223 0.023 0.000 2.270 196 L HA 0.040 4.380 4.340 -0.000 0.000 0.210 196 L C 0.176 177.051 176.870 0.008 0.000 1.104 196 L CA 0.834 55.686 54.840 0.020 0.000 0.804 196 L CB -0.066 42.013 42.059 0.033 0.000 0.937 196 L HN 0.295 nan 8.230 nan 0.000 0.450 197 N N -0.561 118.145 118.700 0.009 0.000 2.813 197 N HA 0.128 4.868 4.740 -0.000 0.000 0.282 197 N C -1.944 173.559 175.510 -0.013 0.000 1.748 197 N CA -0.935 52.109 53.050 -0.009 0.000 0.860 197 N CB 0.747 39.236 38.487 0.003 0.000 1.204 197 N HN -0.071 nan 8.380 nan 0.000 0.490 198 P HA -0.202 nan 4.420 nan 0.000 0.219 198 P C 0.605 177.894 177.300 -0.019 0.000 1.146 198 P CA 1.159 64.251 63.100 -0.014 0.000 0.808 198 P CB 0.415 32.108 31.700 -0.013 0.000 0.779 199 K N -0.446 119.938 120.400 -0.027 0.000 2.439 199 K HA -0.042 4.278 4.320 -0.000 0.000 0.197 199 K C 1.707 178.291 176.600 -0.026 0.000 1.041 199 K CA 0.742 57.012 56.287 -0.027 0.000 0.970 199 K CB 0.032 32.511 32.500 -0.036 0.000 0.773 199 K HN 0.314 nan 8.250 nan 0.000 0.479 200 Q N -0.196 119.588 119.800 -0.026 0.000 2.194 200 Q HA 0.080 4.420 4.340 -0.000 0.000 0.214 200 Q C 1.473 177.450 176.000 -0.039 0.000 0.838 200 Q CA -0.096 55.690 55.803 -0.029 0.000 0.972 200 Q CB 0.791 29.517 28.738 -0.020 0.000 1.131 200 Q HN 0.229 nan 8.270 nan 0.000 0.498 201 R N 1.710 122.192 120.500 -0.030 0.000 2.113 201 R HA -0.220 4.120 4.340 -0.000 0.000 0.244 201 R C 1.157 177.430 176.300 -0.045 0.000 1.142 201 R CA 2.406 58.488 56.100 -0.030 0.000 0.953 201 R CB 0.151 30.439 30.300 -0.019 0.000 0.860 201 R HN 0.234 nan 8.270 nan 0.000 0.438 202 N N -0.188 118.486 118.700 -0.043 0.000 2.142 202 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 202 N C 1.748 177.215 175.510 -0.071 0.000 1.023 202 N CA 1.217 54.238 53.050 -0.048 0.000 0.852 202 N CB -0.271 38.195 38.487 -0.036 0.000 0.998 202 N HN 0.201 nan 8.380 nan 0.000 0.424 203 R N 0.608 121.062 120.500 -0.077 0.000 2.081 203 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 203 R C 1.885 178.068 176.300 -0.194 0.000 1.131 203 R CA 1.059 57.095 56.100 -0.106 0.000 0.960 203 R CB -0.267 29.986 30.300 -0.079 0.000 0.856 203 R HN 0.234 nan 8.270 nan 0.000 0.436 204 I N 0.752 121.201 120.570 -0.202 0.000 2.226 204 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 204 I C 2.292 178.257 176.117 -0.253 0.000 1.100 204 I CA 1.002 62.110 61.300 -0.319 0.000 1.374 204 I CB -0.434 37.470 38.000 -0.161 0.000 1.057 204 I HN 0.279 nan 8.210 nan 0.000 0.413 205 N N 0.802 119.423 118.700 -0.132 0.000 2.069 205 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 205 N C 1.859 177.312 175.510 -0.095 0.000 1.031 205 N CA 1.514 54.514 53.050 -0.084 0.000 0.852 205 N CB -0.086 38.368 38.487 -0.054 0.000 1.018 205 N HN 0.144 nan 8.380 nan 0.000 0.423 206 L N 1.238 122.394 121.223 -0.112 0.000 2.093 206 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 206 L C 2.379 179.176 176.870 -0.121 0.000 1.085 206 L CA 1.173 55.953 54.840 -0.099 0.000 0.755 206 L CB -1.217 40.788 42.059 -0.090 0.000 0.904 206 L HN 0.085 nan 8.230 nan 0.000 0.435 207 A N -1.070 121.620 122.820 -0.217 0.000 1.933 207 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 207 A C 2.350 179.879 177.584 -0.093 0.000 1.175 207 A CA 1.383 53.267 52.037 -0.254 0.000 0.628 207 A CB -0.664 17.935 19.000 -0.668 0.000 0.814 207 A HN 0.373 nan 8.150 nan 0.000 0.444 208 L N -0.747 120.426 121.223 -0.082 0.000 2.042 208 L HA -0.238 4.101 4.340 -0.000 0.000 0.210 208 L C 2.660 179.551 176.870 0.036 0.000 1.076 208 L CA 2.075 56.960 54.840 0.075 0.000 0.749 208 L CB -0.318 41.775 42.059 0.058 0.000 0.893 208 L HN 0.495 nan 8.230 nan 0.000 0.432 209 K N 0.124 120.519 120.400 -0.009 0.000 2.057 209 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 209 K C 2.285 178.876 176.600 -0.016 0.000 1.049 209 K CA 1.374 57.651 56.287 -0.016 0.000 0.931 209 K CB -0.200 32.283 32.500 -0.029 0.000 0.714 209 K HN 0.012 nan 8.250 nan 0.000 0.440 210 R N 0.184 120.673 120.500 -0.018 0.000 2.081 210 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 210 R C 2.070 178.374 176.300 0.007 0.000 1.131 210 R CA 1.536 57.627 56.100 -0.015 0.000 0.960 210 R CB -0.335 29.951 30.300 -0.023 0.000 0.856 210 R HN 0.149 nan 8.270 nan 0.000 0.436 211 V N 1.142 121.086 119.914 0.050 0.000 2.343 211 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 211 V C 2.554 178.646 176.094 -0.004 0.000 1.051 211 V CA 2.067 64.403 62.300 0.060 0.000 1.036 211 V CB -0.550 31.352 31.823 0.132 0.000 0.654 211 V HN 0.466 nan 8.190 nan 0.000 0.451 212 Q N -0.203 119.587 119.800 -0.016 0.000 2.084 212 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 212 Q C 2.242 178.202 176.000 -0.067 0.000 0.978 212 Q CA 2.138 57.905 55.803 -0.061 0.000 0.844 212 Q CB -0.104 28.607 28.738 -0.046 0.000 0.898 212 Q HN 0.726 nan 8.270 nan 0.000 0.426 213 E N 0.056 120.231 120.200 -0.042 0.000 2.058 213 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 213 E C 2.088 178.661 176.600 -0.045 0.000 0.997 213 E CA 1.297 57.674 56.400 -0.038 0.000 0.801 213 E CB 0.099 29.778 29.700 -0.036 0.000 0.746 213 E HN 0.270 nan 8.360 nan 0.000 0.450 214 K N 0.359 120.728 120.400 -0.052 0.000 2.097 214 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 214 K C 2.222 178.794 176.600 -0.046 0.000 1.050 214 K CA 0.822 57.068 56.287 -0.069 0.000 0.938 214 K CB -0.167 32.288 32.500 -0.075 0.000 0.718 214 K HN 0.215 nan 8.250 nan 0.000 0.442 215 I N 1.538 122.067 120.570 -0.068 0.000 2.179 215 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 215 I C 2.396 178.474 176.117 -0.065 0.000 1.088 215 I CA 1.140 62.369 61.300 -0.118 0.000 1.357 215 I CB -0.355 37.475 38.000 -0.284 0.000 1.051 215 I HN 0.068 nan 8.210 nan 0.000 0.409 216 L N 0.830 122.012 121.223 -0.069 0.000 2.042 216 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 216 L C 2.681 179.627 176.870 0.128 0.000 1.076 216 L CA 1.485 56.381 54.840 0.094 0.000 0.749 216 L CB -0.850 41.238 42.059 0.049 0.000 0.893 216 L HN 0.341 nan 8.230 nan 0.000 0.432 217 K N 1.223 121.654 120.400 0.052 0.000 2.209 217 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 217 K C 1.665 178.304 176.600 0.064 0.000 1.048 217 K CA 1.509 57.818 56.287 0.036 0.000 0.940 217 K CB 0.019 32.509 32.500 -0.016 0.000 0.729 217 K HN 0.277 nan 8.250 nan 0.000 0.451 218 A N 1.323 124.204 122.820 0.101 0.000 2.278 218 A HA -0.007 4.313 4.320 -0.000 0.000 0.212 218 A C 0.746 178.446 177.584 0.194 0.000 1.213 218 A CA -0.145 51.972 52.037 0.132 0.000 0.840 218 A CB -0.261 18.819 19.000 0.133 0.000 0.866 218 A HN 0.522 nan 8.150 nan 0.000 0.489 219 Q N 1.494 121.428 119.800 0.223 0.000 2.313 219 Q HA 0.280 4.620 4.340 -0.000 0.000 0.266 219 Q C 0.443 176.470 176.000 0.044 0.000 0.989 219 Q CA 0.247 56.135 55.803 0.141 0.000 0.890 219 Q CB 0.541 29.337 28.738 0.096 0.000 1.200 219 Q HN 0.514 nan 8.270 nan 0.000 0.396 220 T N 0.938 115.496 114.554 0.007 0.000 2.874 220 T HA 0.337 4.687 4.350 -0.000 0.000 0.281 220 T C -1.896 172.761 174.700 -0.073 0.000 0.994 220 T CA -1.686 60.414 62.100 0.000 0.000 1.015 220 T CB 0.884 69.787 68.868 0.058 0.000 1.028 220 T HN 0.470 nan 8.240 nan 0.000 0.523 221 P HA -0.031 nan 4.420 nan 0.000 0.219 221 P C 0.945 178.157 177.300 -0.147 0.000 1.146 221 P CA 0.891 63.942 63.100 -0.081 0.000 0.808 221 P CB -0.019 31.653 31.700 -0.047 0.000 0.779 222 E N -1.371 118.700 120.200 -0.215 0.000 2.268 222 E HA 0.079 4.429 4.350 -0.000 0.000 0.195 222 E C 1.661 177.942 176.600 -0.532 0.000 0.995 222 E CA 1.193 57.356 56.400 -0.394 0.000 0.836 222 E CB -0.788 28.559 29.700 -0.587 0.000 0.763 222 E HN 0.258 nan 8.360 nan 0.000 0.491 223 G N -1.093 107.439 108.800 -0.446 0.000 2.201 223 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.212 223 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.212 223 G C -0.337 174.263 174.900 -0.499 0.000 0.994 223 G CA -0.273 44.567 45.100 -0.433 0.000 0.644 223 G HN 0.141 nan 8.290 nan 0.000 0.508 224 Y N 0.224 120.382 120.300 -0.237 0.000 2.480 224 Y HA 0.563 5.113 4.550 -0.000 0.000 0.338 224 Y C 0.741 176.484 175.900 -0.262 0.000 1.220 224 Y CA -0.903 57.058 58.100 -0.231 0.000 1.430 224 Y CB 0.169 38.575 38.460 -0.090 0.000 1.311 224 Y HN 0.039 nan 8.280 nan 0.000 0.575 225 F N 2.053 122.115 119.950 0.187 0.000 2.405 225 F HA 0.423 4.950 4.527 -0.000 0.000 0.358 225 F C 1.172 177.038 175.800 0.110 0.000 1.151 225 F CA 0.068 58.136 58.000 0.114 0.000 1.161 225 F CB 0.301 39.351 39.000 0.082 0.000 1.245 225 F HN 0.790 nan 8.300 nan 0.000 0.545 226 G N 3.164 112.120 108.800 0.260 0.000 5.426 226 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.297 226 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.297 226 G C 0.044 175.026 174.900 0.136 0.000 1.422 226 G CA 0.523 45.726 45.100 0.171 0.000 0.938 226 G HN 0.910 nan 8.290 nan 0.000 0.754 227 N N -1.716 117.038 118.700 0.088 0.000 3.039 227 N HA 0.560 5.300 4.740 -0.000 0.000 0.257 227 N C 0.617 175.949 175.510 -0.296 0.000 1.497 227 N CA 0.503 53.514 53.050 -0.066 0.000 0.861 227 N CB 1.164 39.618 38.487 -0.054 0.000 1.479 227 N HN 1.004 nan 8.380 nan 0.000 0.547 228 V N -0.065 119.335 119.914 -0.856 0.000 2.392 228 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 228 V C 1.050 176.890 176.094 -0.423 0.000 1.059 228 V CA 1.713 63.434 62.300 -0.965 0.000 1.051 228 V CB -0.932 30.120 31.823 -1.284 0.000 0.658 228 V HN 0.623 nan 8.190 nan 0.000 0.455 229 Y N 0.768 120.958 120.300 -0.183 0.000 2.516 229 Y HA 0.011 4.561 4.550 -0.000 0.000 0.291 229 Y C 2.618 178.540 175.900 0.037 0.000 1.131 229 Y CA 1.069 59.121 58.100 -0.081 0.000 1.281 229 Y CB -0.438 37.910 38.460 -0.186 0.000 1.013 229 Y HN 0.421 nan 8.280 nan 0.000 0.554 230 S N -2.218 113.568 115.700 0.143 0.000 2.524 230 S HA -0.048 4.422 4.470 -0.000 0.000 0.216 230 S C 1.809 176.522 174.600 0.188 0.000 0.987 230 S CA 0.707 58.996 58.200 0.149 0.000 0.909 230 S CB -0.460 62.810 63.200 0.116 0.000 0.781 230 S HN 0.322 nan 8.310 nan 0.000 0.521 231 T N 3.677 118.352 114.554 0.201 0.000 2.746 231 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 231 T C -0.749 174.079 174.700 0.214 0.000 1.039 231 T CA 1.387 63.646 62.100 0.265 0.000 1.142 231 T CB -1.368 67.637 68.868 0.230 0.000 0.866 231 T HN 0.369 nan 8.240 nan 0.000 0.444 232 P HA -0.006 nan 4.420 nan 0.000 0.215 232 P C 1.635 178.960 177.300 0.043 0.000 1.157 232 P CA 0.834 63.983 63.100 0.081 0.000 0.868 232 P CB -0.180 31.562 31.700 0.071 0.000 0.788 233 L N -0.975 120.288 121.223 0.066 0.000 2.012 233 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 233 L C 2.487 179.363 176.870 0.011 0.000 1.073 233 L CA 1.804 56.659 54.840 0.024 0.000 0.748 233 L CB -1.220 40.897 42.059 0.097 0.000 0.891 233 L HN -0.029 nan 8.230 nan 0.000 0.431 234 A N 0.053 122.905 122.820 0.053 0.000 1.883 234 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 234 A C 2.216 179.778 177.584 -0.036 0.000 1.186 234 A CA 1.649 53.673 52.037 -0.021 0.000 0.624 234 A CB -0.767 18.226 19.000 -0.012 0.000 0.822 234 A HN 0.394 nan 8.150 nan 0.000 0.444 235 L N -0.981 120.280 121.223 0.064 0.000 2.093 235 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 235 L C 2.893 179.754 176.870 -0.014 0.000 1.085 235 L CA 1.305 56.178 54.840 0.055 0.000 0.755 235 L CB -0.605 41.511 42.059 0.096 0.000 0.904 235 L HN 0.503 nan 8.230 nan 0.000 0.435 236 Q N -0.191 119.578 119.800 -0.051 0.000 2.077 236 Q HA -0.274 4.066 4.340 -0.000 0.000 0.206 236 Q C 2.344 178.298 176.000 -0.076 0.000 0.989 236 Q CA 1.679 57.421 55.803 -0.101 0.000 0.853 236 Q CB -0.212 28.407 28.738 -0.198 0.000 0.907 236 Q HN 0.502 nan 8.270 nan 0.000 0.418 237 L N 0.522 121.705 121.223 -0.067 0.000 2.005 237 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 237 L C 2.161 179.002 176.870 -0.048 0.000 1.072 237 L CA 1.384 56.192 54.840 -0.053 0.000 0.744 237 L CB -0.331 41.694 42.059 -0.057 0.000 0.895 237 L HN 0.308 nan 8.230 nan 0.000 0.433 238 L N -0.139 121.045 121.223 -0.064 0.000 2.275 238 L HA -0.215 4.125 4.340 -0.000 0.000 0.215 238 L C 2.769 179.624 176.870 -0.025 0.000 1.119 238 L CA 1.085 55.890 54.840 -0.060 0.000 0.790 238 L CB -0.411 41.590 42.059 -0.096 0.000 0.919 238 L HN 0.460 nan 8.230 nan 0.000 0.443 239 M N -1.219 118.369 119.600 -0.019 0.000 2.446 239 M HA 0.013 4.493 4.480 -0.000 0.000 0.263 239 M C 1.742 178.035 176.300 -0.012 0.000 1.066 239 M CA 1.876 57.169 55.300 -0.012 0.000 1.087 239 M CB -0.734 31.856 32.600 -0.016 0.000 1.406 239 M HN 0.061 nan 8.290 nan 0.000 0.459 240 G N 0.631 109.423 108.800 -0.013 0.000 2.985 240 G HA2 0.018 3.978 3.960 -0.000 0.000 0.209 240 G HA3 0.018 3.978 3.960 -0.000 0.000 0.209 240 G C 0.463 175.362 174.900 -0.002 0.000 1.165 240 G CA 0.220 45.316 45.100 -0.006 0.000 0.776 240 G HN 0.562 nan 8.290 nan 0.000 0.541 241 S N 0.396 116.093 115.700 -0.006 0.000 2.537 241 S HA 0.151 4.621 4.470 -0.000 0.000 0.286 241 S C 1.545 176.145 174.600 -0.001 0.000 1.299 241 S CA -0.717 57.481 58.200 -0.004 0.000 1.067 241 S CB 0.520 63.715 63.200 -0.008 0.000 0.864 241 S HN -0.041 nan 8.310 nan 0.000 0.494 242 L N 4.476 125.698 121.223 -0.000 0.000 2.023 242 L HA 0.236 4.576 4.340 -0.000 0.000 0.205 242 L C 1.440 178.310 176.870 -0.001 0.000 1.073 242 L CA 1.721 56.561 54.840 -0.000 0.000 0.745 242 L CB -0.935 41.124 42.059 0.000 0.000 0.900 242 L HN 0.717 nan 8.230 nan 0.000 0.435 243 R N 0.252 120.751 120.500 -0.001 0.000 2.547 243 R HA 0.265 4.605 4.340 -0.000 0.000 0.280 243 R C -2.240 174.059 176.300 -0.001 0.000 1.630 243 R CA -1.345 54.755 56.100 -0.001 0.000 1.470 243 R CB 1.120 31.419 30.300 -0.002 0.000 1.178 243 R HN 0.068 nan 8.270 nan 0.000 0.591 244 P HA 0.005 nan 4.420 nan 0.000 0.271 244 P C 0.107 177.409 177.300 0.004 0.000 1.220 244 P CA -0.071 63.030 63.100 0.002 0.000 0.768 244 P CB 1.118 32.822 31.700 0.007 0.000 0.848 245 S N 1.654 117.355 115.700 0.003 0.000 2.580 245 S HA 0.010 4.480 4.470 -0.000 0.000 0.261 245 S C 1.437 176.043 174.600 0.009 0.000 1.366 245 S CA -0.517 57.685 58.200 0.004 0.000 0.996 245 S CB -0.015 63.186 63.200 0.003 0.000 0.902 245 S HN 0.215 nan 8.310 nan 0.000 0.566 246 V N 1.133 121.052 119.914 0.008 0.000 2.515 246 V HA -0.108 4.012 4.120 -0.000 0.000 0.250 246 V C 2.786 178.889 176.094 0.016 0.000 1.058 246 V CA 2.033 64.339 62.300 0.010 0.000 1.064 246 V CB -1.155 30.671 31.823 0.006 0.000 0.675 246 V HN 0.941 nan 8.190 nan 0.000 0.461 247 E N -0.210 120.000 120.200 0.017 0.000 2.051 247 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 247 E C 2.183 178.808 176.600 0.043 0.000 0.991 247 E CA 1.566 57.981 56.400 0.026 0.000 0.799 247 E CB -0.122 29.590 29.700 0.020 0.000 0.748 247 E HN 0.429 nan 8.360 nan 0.000 0.449 248 L N 0.458 121.704 121.223 0.037 0.000 2.017 248 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 248 L C 2.207 179.116 176.870 0.066 0.000 1.073 248 L CA 2.403 57.273 54.840 0.050 0.000 0.745 248 L CB -1.075 40.997 42.059 0.021 0.000 0.894 248 L HN 0.127 nan 8.230 nan 0.000 0.432 249 G N -1.703 107.122 108.800 0.042 0.000 2.476 249 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 249 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 249 G C 1.438 176.363 174.900 0.042 0.000 1.164 249 G CA 1.390 46.513 45.100 0.038 0.000 0.768 249 G HN 0.453 nan 8.290 nan 0.000 0.560 250 T N 1.642 116.217 114.554 0.036 0.000 2.708 250 T HA 0.036 4.386 4.350 -0.000 0.000 0.266 250 T C 2.830 177.551 174.700 0.035 0.000 1.037 250 T CA 1.568 63.683 62.100 0.025 0.000 1.146 250 T CB -0.444 68.433 68.868 0.016 0.000 0.865 250 T HN 0.398 nan 8.240 nan 0.000 0.435 251 A N 0.712 123.579 122.820 0.078 0.000 1.883 251 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 251 A C 2.725 180.393 177.584 0.140 0.000 1.186 251 A CA 1.734 53.851 52.037 0.133 0.000 0.624 251 A CB -1.398 17.778 19.000 0.293 0.000 0.822 251 A HN 0.628 nan 8.150 nan 0.000 0.444 252 c N -0.881 117.833 118.600 0.191 0.000 2.429 252 c HA -0.025 4.545 4.570 -0.000 0.000 0.277 252 c C 2.662 176.788 174.090 0.060 0.000 1.262 252 c CA 0.919 57.356 56.329 0.180 0.000 1.733 252 c CB -1.491 41.107 42.510 0.147 0.000 2.010 252 c HN 0.628 nan 8.230 nan 0.000 0.483 253 L N 0.559 121.799 121.223 0.028 0.000 2.012 253 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 253 L C 2.678 179.523 176.870 -0.041 0.000 1.073 253 L CA 1.683 56.520 54.840 -0.005 0.000 0.748 253 L CB -0.690 41.366 42.059 -0.006 0.000 0.891 253 L HN 0.405 nan 8.230 nan 0.000 0.431 254 K N -0.075 120.285 120.400 -0.066 0.000 2.032 254 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 254 K C 2.215 178.702 176.600 -0.188 0.000 1.048 254 K CA 1.517 57.729 56.287 -0.126 0.000 0.927 254 K CB -0.283 32.130 32.500 -0.145 0.000 0.712 254 K HN 0.305 nan 8.250 nan 0.000 0.441 255 A N 1.907 124.584 122.820 -0.239 0.000 1.873 255 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 255 A C 1.920 179.447 177.584 -0.095 0.000 1.186 255 A CA 1.510 53.371 52.037 -0.292 0.000 0.616 255 A CB -0.294 18.411 19.000 -0.491 0.000 0.823 255 A HN 0.195 nan 8.150 nan 0.000 0.442 256 K N -0.248 120.130 120.400 -0.037 0.000 2.057 256 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 256 K C 2.312 178.898 176.600 -0.023 0.000 1.049 256 K CA 1.141 57.422 56.287 -0.009 0.000 0.931 256 K CB -0.344 32.156 32.500 -0.000 0.000 0.714 256 K HN 0.443 nan 8.250 nan 0.000 0.440 257 A N 1.631 124.424 122.820 -0.045 0.000 1.902 257 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 257 A C 2.399 179.955 177.584 -0.047 0.000 1.181 257 A CA 1.877 53.886 52.037 -0.047 0.000 0.623 257 A CB -0.680 18.284 19.000 -0.060 0.000 0.818 257 A HN 0.337 nan 8.150 nan 0.000 0.443 258 A N -0.631 122.135 122.820 -0.090 0.000 1.902 258 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 258 A C 2.130 179.783 177.584 0.115 0.000 1.181 258 A CA 1.721 53.695 52.037 -0.105 0.000 0.623 258 A CB -0.636 18.124 19.000 -0.400 0.000 0.818 258 A HN 0.617 nan 8.150 nan 0.000 0.443 259 L N -0.152 121.145 121.223 0.122 0.000 2.017 259 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 259 L C 2.521 179.437 176.870 0.077 0.000 1.073 259 L CA 2.166 57.094 54.840 0.146 0.000 0.745 259 L CB -0.741 41.366 42.059 0.080 0.000 0.894 259 L HN 0.433 nan 8.230 nan 0.000 0.432 260 Q N -0.558 119.257 119.800 0.025 0.000 2.084 260 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 260 Q C 2.245 178.246 176.000 0.000 0.000 0.978 260 Q CA 1.773 57.573 55.803 -0.006 0.000 0.844 260 Q CB -0.504 28.222 28.738 -0.020 0.000 0.898 260 Q HN 0.678 nan 8.270 nan 0.000 0.426 261 A N 1.437 124.273 122.820 0.027 0.000 1.902 261 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 261 A C 2.380 180.016 177.584 0.087 0.000 1.181 261 A CA 2.125 54.186 52.037 0.039 0.000 0.623 261 A CB -0.723 18.321 19.000 0.075 0.000 0.818 261 A HN 0.486 nan 8.150 nan 0.000 0.443 262 S N -0.528 115.286 115.700 0.190 0.000 2.382 262 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 262 S C 1.743 176.454 174.600 0.186 0.000 1.027 262 S CA 1.553 59.914 58.200 0.269 0.000 0.991 262 S CB -0.469 62.890 63.200 0.266 0.000 0.823 262 S HN 0.211 nan 8.310 nan 0.000 0.469 263 L N 1.612 122.894 121.223 0.098 0.000 2.191 263 L HA 0.072 4.412 4.340 -0.000 0.000 0.212 263 L C 2.585 179.434 176.870 -0.035 0.000 1.103 263 L CA 1.395 56.264 54.840 0.050 0.000 0.769 263 L CB -1.453 40.592 42.059 -0.024 0.000 0.908 263 L HN 0.371 nan 8.230 nan 0.000 0.438 264 Q N -0.851 118.843 119.800 -0.176 0.000 2.508 264 Q HA -0.123 4.217 4.340 -0.000 0.000 0.214 264 Q C 0.711 176.457 176.000 -0.424 0.000 0.979 264 Q CA 0.962 56.561 55.803 -0.340 0.000 0.911 264 Q CB -0.423 28.028 28.738 -0.478 0.000 0.969 264 Q HN 0.658 nan 8.270 nan 0.000 0.504 265 H N -0.621 118.485 119.070 0.060 0.000 2.510 265 H HA 0.243 4.799 4.556 -0.000 0.000 0.266 265 H C -0.330 175.037 175.328 0.065 0.000 1.146 265 H CA -0.419 55.661 56.048 0.054 0.000 0.993 265 H CB 0.371 30.162 29.762 0.049 0.000 1.727 265 H HN 0.036 nan 8.280 nan 0.000 0.590 266 K N -0.773 119.713 120.400 0.143 0.000 3.016 266 K HA -0.247 4.073 4.320 -0.000 0.000 0.262 266 K C 0.487 177.190 176.600 0.173 0.000 1.043 266 K CA 0.846 57.218 56.287 0.141 0.000 0.761 266 K CB -2.028 30.535 32.500 0.105 0.000 1.230 266 K HN 0.351 nan 8.250 nan 0.000 0.485 267 T N 0.212 114.895 114.554 0.215 0.000 2.759 267 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 267 T C 0.531 175.321 174.700 0.150 0.000 1.042 267 T CA 1.208 63.404 62.100 0.160 0.000 1.140 267 T CB -0.143 68.793 68.868 0.113 0.000 0.864 267 T HN 0.244 nan 8.240 nan 0.000 0.455 268 F N 2.185 122.225 119.950 0.150 0.000 2.335 268 F HA 0.364 4.891 4.527 -0.000 0.000 0.365 268 F C 1.290 177.161 175.800 0.117 0.000 1.122 268 F CA -0.809 57.302 58.000 0.185 0.000 1.151 268 F CB 0.976 40.059 39.000 0.138 0.000 1.282 268 F HN -0.099 nan 8.300 nan 0.000 0.513 269 Q N 0.669 120.581 119.800 0.186 0.000 2.423 269 Q HA 0.036 4.376 4.340 -0.000 0.000 0.231 269 Q C 0.580 176.634 176.000 0.090 0.000 0.894 269 Q CA 0.163 56.045 55.803 0.132 0.000 0.938 269 Q CB 0.035 28.829 28.738 0.094 0.000 1.079 269 Q HN 0.536 nan 8.270 nan 0.000 0.552 270 N N 2.766 121.482 118.700 0.028 0.000 2.468 270 N HA -0.007 4.733 4.740 -0.000 0.000 0.265 270 N C -1.994 173.484 175.510 -0.054 0.000 1.199 270 N CA -1.161 51.862 53.050 -0.046 0.000 0.928 270 N CB 1.715 40.124 38.487 -0.130 0.000 1.059 270 N HN -0.174 nan 8.380 nan 0.000 0.467 271 P HA -0.139 nan 4.420 nan 0.000 0.215 271 P C 1.613 178.818 177.300 -0.159 0.000 1.153 271 P CA 0.787 63.724 63.100 -0.272 0.000 0.853 271 P CB 0.241 31.467 31.700 -0.790 0.000 0.788 272 L N -1.902 119.228 121.223 -0.154 0.000 2.046 272 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 272 L C 2.250 179.141 176.870 0.035 0.000 1.077 272 L CA 1.797 56.605 54.840 -0.055 0.000 0.747 272 L CB -0.699 41.327 42.059 -0.057 0.000 0.896 272 L HN -0.134 nan 8.230 nan 0.000 0.432 273 M N -0.488 119.144 119.600 0.054 0.000 2.080 273 M HA -0.238 4.242 4.480 -0.000 0.000 0.260 273 M C 2.392 178.868 176.300 0.294 0.000 1.068 273 M CA 1.957 57.388 55.300 0.218 0.000 1.109 273 M CB -1.073 31.656 32.600 0.216 0.000 1.342 273 M HN 0.308 nan 8.290 nan 0.000 0.405 274 I N 0.338 121.038 120.570 0.217 0.000 2.208 274 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 274 I C 2.631 178.776 176.117 0.046 0.000 1.097 274 I CA 1.663 63.035 61.300 0.119 0.000 1.363 274 I CB -0.560 37.493 38.000 0.088 0.000 1.051 274 I HN 0.375 nan 8.210 nan 0.000 0.413 275 S N 0.392 116.120 115.700 0.047 0.000 2.399 275 S HA -0.238 4.232 4.470 -0.000 0.000 0.231 275 S C 1.896 176.543 174.600 0.078 0.000 1.022 275 S CA 1.078 59.307 58.200 0.049 0.000 0.983 275 S CB -0.422 62.810 63.200 0.052 0.000 0.803 275 S HN 0.537 nan 8.310 nan 0.000 0.480 276 Q N -0.170 119.687 119.800 0.095 0.000 2.245 276 Q HA 0.179 4.519 4.340 -0.000 0.000 0.201 276 Q C 2.080 178.068 176.000 -0.020 0.000 0.955 276 Q CA 0.903 56.743 55.803 0.061 0.000 0.870 276 Q CB -0.199 28.612 28.738 0.122 0.000 0.945 276 Q HN 0.553 nan 8.270 nan 0.000 0.461 277 L N 0.092 121.299 121.223 -0.027 0.000 2.127 277 L HA -0.019 4.321 4.340 -0.000 0.000 0.203 277 L C 1.823 178.618 176.870 -0.126 0.000 1.080 277 L CA 1.242 56.001 54.840 -0.135 0.000 0.768 277 L CB -0.204 41.651 42.059 -0.340 0.000 0.924 277 L HN 0.132 nan 8.230 nan 0.000 0.444 278 L N 0.038 121.208 121.223 -0.088 0.000 2.042 278 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 278 L C -0.251 176.576 176.870 -0.073 0.000 1.076 278 L CA 1.317 56.111 54.840 -0.077 0.000 0.749 278 L CB -1.842 40.184 42.059 -0.054 0.000 0.893 278 L HN 0.274 nan 8.230 nan 0.000 0.432 279 P HA -0.133 nan 4.420 nan 0.000 0.215 279 P C 1.952 179.202 177.300 -0.084 0.000 1.157 279 P CA 1.149 64.203 63.100 -0.076 0.000 0.868 279 P CB 0.018 31.659 31.700 -0.098 0.000 0.788 280 V N -0.239 119.616 119.914 -0.098 0.000 2.324 280 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 280 V C 2.381 178.434 176.094 -0.068 0.000 1.060 280 V CA 1.699 63.950 62.300 -0.081 0.000 1.042 280 V CB -1.395 30.381 31.823 -0.077 0.000 0.650 280 V HN 0.091 nan 8.190 nan 0.000 0.450 281 L N 0.152 121.328 121.223 -0.078 0.000 2.362 281 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 281 L C 1.796 178.633 176.870 -0.055 0.000 1.134 281 L CA 1.210 56.008 54.840 -0.070 0.000 0.807 281 L CB -0.508 41.500 42.059 -0.084 0.000 0.927 281 L HN 0.389 nan 8.230 nan 0.000 0.447 282 N N -0.005 118.662 118.700 -0.054 0.000 2.234 282 N HA 0.034 4.774 4.740 -0.000 0.000 0.227 282 N C -0.188 175.297 175.510 -0.041 0.000 1.151 282 N CA -0.110 52.913 53.050 -0.045 0.000 0.865 282 N CB 0.253 38.712 38.487 -0.046 0.000 1.066 282 N HN 0.028 nan 8.380 nan 0.000 0.515 283 Q N -0.830 118.944 119.800 -0.042 0.000 2.475 283 Q HA -0.216 4.124 4.340 -0.000 0.000 0.280 283 Q C -1.028 174.949 176.000 -0.038 0.000 1.234 283 Q CA 1.076 56.858 55.803 -0.036 0.000 0.873 283 Q CB -1.627 27.095 28.738 -0.027 0.000 1.256 283 Q HN 0.420 nan 8.270 nan 0.000 0.475 284 K N -0.251 120.119 120.400 -0.050 0.000 2.395 284 K HA 0.812 5.132 4.320 -0.000 0.000 0.247 284 K C -0.280 176.272 176.600 -0.079 0.000 0.973 284 K CA -0.346 55.911 56.287 -0.050 0.000 0.828 284 K CB 2.162 34.638 32.500 -0.040 0.000 1.272 284 K HN 0.172 nan 8.250 nan 0.000 0.439 285 S N -0.424 115.232 115.700 -0.074 0.000 2.697 285 S HA 0.290 4.760 4.470 -0.000 0.000 0.289 285 S C 0.434 175.018 174.600 -0.027 0.000 1.149 285 S CA -0.680 57.438 58.200 -0.135 0.000 0.850 285 S CB 0.285 63.419 63.200 -0.109 0.000 1.151 285 S HN 0.560 nan 8.310 nan 0.000 0.491 286 Y N 0.649 120.933 120.300 -0.027 0.000 2.384 286 Y HA -0.050 4.499 4.550 -0.000 0.000 0.289 286 Y C 2.430 178.305 175.900 -0.041 0.000 1.152 286 Y CA 0.514 58.593 58.100 -0.036 0.000 1.258 286 Y CB -1.303 37.136 38.460 -0.035 0.000 0.979 286 Y HN 0.473 nan 8.280 nan 0.000 0.549 287 V N -0.015 119.961 119.914 0.103 0.000 2.626 287 V HA -0.224 3.896 4.120 -0.000 0.000 0.252 287 V C 1.740 177.850 176.094 0.026 0.000 1.067 287 V CA 1.682 64.012 62.300 0.050 0.000 1.081 287 V CB -0.445 31.395 31.823 0.028 0.000 0.686 287 V HN 0.355 nan 8.190 nan 0.000 0.468 288 D N 0.271 120.683 120.400 0.021 0.000 2.351 288 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 288 D C 1.826 178.115 176.300 -0.018 0.000 0.968 288 D CA 0.880 54.880 54.000 0.000 0.000 0.899 288 D CB 0.093 40.890 40.800 -0.006 0.000 0.907 288 D HN 0.400 nan 8.370 nan 0.000 0.514 289 L N 0.362 121.576 121.223 -0.015 0.000 2.552 289 L HA 0.030 4.370 4.340 -0.000 0.000 0.227 289 L C 2.279 179.079 176.870 -0.116 0.000 1.146 289 L CA -0.078 54.718 54.840 -0.075 0.000 0.858 289 L CB -0.047 41.966 42.059 -0.077 0.000 0.969 289 L HN -0.017 nan 8.230 nan 0.000 0.451 290 I N -0.331 120.204 120.570 -0.058 0.000 2.127 290 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 290 I C 0.673 176.764 176.117 -0.044 0.000 1.075 290 I CA 1.335 62.614 61.300 -0.036 0.000 1.334 290 I CB -0.060 37.944 38.000 0.006 0.000 1.040 290 I HN 0.298 nan 8.210 nan 0.000 0.405 291 S N 1.085 116.762 115.700 -0.040 0.000 2.389 291 S HA 0.406 4.876 4.470 -0.000 0.000 0.201 291 S C -2.287 172.283 174.600 -0.050 0.000 1.422 291 S CA -1.220 56.956 58.200 -0.039 0.000 1.216 291 S CB 0.625 63.826 63.200 0.003 0.000 1.130 291 S HN 0.040 nan 8.310 nan 0.000 0.465 292 P HA 0.352 nan 4.420 nan 0.000 0.274 292 P C -1.072 176.197 177.300 -0.051 0.000 1.237 292 P CA -0.099 62.959 63.100 -0.070 0.000 0.793 292 P CB 0.671 32.312 31.700 -0.099 0.000 0.977 293 D N 1.050 121.426 120.400 -0.040 0.000 2.454 293 D HA 0.159 4.799 4.640 -0.000 0.000 0.225 293 D C 0.161 176.443 176.300 -0.031 0.000 1.081 293 D CA -0.486 53.496 54.000 -0.030 0.000 0.864 293 D CB -0.170 40.616 40.800 -0.023 0.000 1.040 293 D HN 0.162 nan 8.370 nan 0.000 0.517 294 c N 2.907 121.490 118.600 -0.028 0.000 2.626 294 c HA 0.099 4.669 4.570 -0.000 0.000 0.266 294 c C 2.027 176.109 174.090 -0.014 0.000 1.317 294 c CA -0.158 56.157 56.329 -0.023 0.000 1.716 294 c CB -0.536 41.963 42.510 -0.018 0.000 1.819 294 c HN 0.626 nan 8.230 nan 0.000 0.578 295 Q N 1.020 120.813 119.800 -0.012 0.000 2.376 295 Q HA 0.178 4.518 4.340 -0.000 0.000 0.206 295 Q C 1.121 177.115 176.000 -0.010 0.000 0.921 295 Q CA 0.251 56.049 55.803 -0.008 0.000 0.911 295 Q CB 0.056 28.791 28.738 -0.005 0.000 1.032 295 Q HN 0.634 nan 8.270 nan 0.000 0.510 296 A N 3.954 126.765 122.820 -0.015 0.000 2.454 296 A HA 0.279 4.599 4.320 -0.000 0.000 0.260 296 A C -1.951 175.622 177.584 -0.018 0.000 1.106 296 A CA -1.028 50.999 52.037 -0.016 0.000 0.780 296 A CB -0.256 18.732 19.000 -0.020 0.000 1.044 296 A HN 0.008 nan 8.150 nan 0.000 0.498 297 P HA 0.332 nan 4.420 nan 0.000 0.271 297 P C -0.508 176.780 177.300 -0.019 0.000 1.218 297 P CA 0.026 63.118 63.100 -0.014 0.000 0.780 297 P CB 0.737 32.431 31.700 -0.011 0.000 0.901 298 R N 0.719 121.207 120.500 -0.020 0.000 2.854 298 R HA 0.705 5.045 4.340 -0.000 0.000 0.271 298 R C -0.432 175.857 176.300 -0.019 0.000 0.996 298 R CA -1.012 55.073 56.100 -0.024 0.000 0.961 298 R CB 2.029 32.309 30.300 -0.034 0.000 1.182 298 R HN 0.525 nan 8.270 nan 0.000 0.479 299 A N 1.964 124.773 122.820 -0.019 0.000 2.363 299 A HA 0.272 4.592 4.320 -0.000 0.000 0.270 299 A C -0.481 177.095 177.584 -0.013 0.000 1.121 299 A CA -0.436 51.592 52.037 -0.014 0.000 0.800 299 A CB 0.325 19.316 19.000 -0.014 0.000 1.052 299 A HN 0.560 nan 8.150 nan 0.000 0.493 300 L N 2.744 123.963 121.223 -0.008 0.000 2.499 300 L HA 0.208 4.548 4.340 -0.000 0.000 0.273 300 L C -0.190 176.678 176.870 -0.004 0.000 1.195 300 L CA 0.499 55.336 54.840 -0.005 0.000 0.882 300 L CB 0.054 42.112 42.059 -0.001 0.000 1.133 300 L HN 0.618 nan 8.230 nan 0.000 0.483 301 L N 5.593 126.815 121.223 -0.002 0.000 2.264 301 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 301 L C 0.021 176.895 176.870 0.007 0.000 1.044 301 L CA -0.200 54.641 54.840 0.001 0.000 0.807 301 L CB 1.109 43.169 42.059 0.001 0.000 1.192 301 L HN 0.705 nan 8.230 nan 0.000 0.425 302 E N 5.622 125.827 120.200 0.007 0.000 2.244 302 E HA 0.474 4.824 4.350 -0.000 0.000 0.266 302 E C -2.354 174.253 176.600 0.012 0.000 0.914 302 E CA -2.091 54.314 56.400 0.009 0.000 0.794 302 E CB 1.974 31.678 29.700 0.007 0.000 1.210 302 E HN 0.301 nan 8.360 nan 0.000 0.414 303 P HA 0.005 nan 4.420 nan 0.000 0.269 303 P C -1.149 176.159 177.300 0.013 0.000 1.215 303 P CA -0.133 62.976 63.100 0.015 0.000 0.780 303 P CB 0.596 32.303 31.700 0.012 0.000 0.898 304 A N 3.600 126.430 122.820 0.016 0.000 2.655 304 A HA 0.257 4.577 4.320 -0.000 0.000 0.297 304 A C 0.304 177.895 177.584 0.012 0.000 1.461 304 A CA -0.328 51.717 52.037 0.014 0.000 1.146 304 A CB -1.392 17.619 19.000 0.018 0.000 1.108 304 A HN 0.406 nan 8.150 nan 0.000 0.550 305 L N 2.943 124.171 121.223 0.009 0.000 2.422 305 L HA 0.364 4.704 4.340 -0.000 0.000 0.256 305 L C 1.090 177.963 176.870 0.006 0.000 1.202 305 L CA 0.255 55.099 54.840 0.007 0.000 1.119 305 L CB -0.411 41.651 42.059 0.005 0.000 1.383 305 L HN 0.763 nan 8.230 nan 0.000 0.411 306 E N -0.650 119.555 120.200 0.007 0.000 2.566 306 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 306 E C -0.407 176.198 176.600 0.008 0.000 0.945 306 E CA 0.128 56.533 56.400 0.007 0.000 1.449 306 E CB 0.637 30.342 29.700 0.008 0.000 1.654 306 E HN 0.228 nan 8.360 nan 0.000 0.844 307 T N 2.947 117.506 114.554 0.008 0.000 0.643 307 T HA -0.045 4.305 4.350 -0.000 0.000 0.764 307 T C -2.820 171.886 174.700 0.010 0.000 0.990 307 T CA 0.029 62.134 62.100 0.008 0.000 4.027 307 T CB -0.584 68.288 68.868 0.006 0.000 2.276 307 T HN 0.088 nan 8.240 nan 0.000 0.395 308 P HA -0.071 nan 4.420 nan 0.000 0.238 308 P C -1.086 176.221 177.300 0.011 0.000 1.066 308 P CA -0.460 62.647 63.100 0.012 0.000 0.836 308 P CB 0.079 31.785 31.700 0.011 0.000 0.743 309 P HA -0.122 nan 4.420 nan 0.000 0.216 309 P C 0.528 177.835 177.300 0.012 0.000 1.153 309 P CA 1.045 64.152 63.100 0.012 0.000 0.844 309 P CB 0.278 31.986 31.700 0.013 0.000 0.787 310 Q N 0.221 120.028 119.800 0.012 0.000 2.359 310 Q HA 0.351 4.691 4.340 -0.000 0.000 0.249 310 Q C 0.855 176.864 176.000 0.014 0.000 1.181 310 Q CA -0.079 55.731 55.803 0.013 0.000 0.897 310 Q CB -0.287 28.459 28.738 0.012 0.000 1.424 310 Q HN 0.146 nan 8.270 nan 0.000 0.478 311 A N 4.266 127.094 122.820 0.014 0.000 2.252 311 A HA 0.049 4.369 4.320 -0.000 0.000 0.207 311 A C 0.048 177.645 177.584 0.021 0.000 1.194 311 A CA 0.228 52.275 52.037 0.016 0.000 0.809 311 A CB -0.529 18.480 19.000 0.014 0.000 0.814 311 A HN 0.880 nan 8.150 nan 0.000 0.482 312 K N -3.435 116.978 120.400 0.022 0.000 1.226 312 K HA -0.107 4.213 4.320 -0.000 0.000 0.750 312 K C -0.241 176.379 176.600 0.033 0.000 1.872 312 K CA 0.832 57.137 56.287 0.029 0.000 1.268 312 K CB -1.320 31.202 32.500 0.036 0.000 2.312 312 K HN 1.039 nan 8.250 nan 0.000 0.456 313 V N -4.329 115.611 119.914 0.045 0.000 5.120 313 V HA 0.199 4.319 4.120 -0.000 0.000 0.571 313 V C -2.342 173.796 176.094 0.073 0.000 1.713 313 V CA -1.176 61.152 62.300 0.046 0.000 2.909 313 V CB 0.133 31.974 31.823 0.030 0.000 0.484 313 V HN 0.750 nan 8.190 nan 0.000 0.536 314 P HA 0.208 nan 4.420 nan 0.000 0.265 314 P C -0.263 177.176 177.300 0.232 0.000 1.193 314 P CA 0.295 63.494 63.100 0.164 0.000 0.765 314 P CB 1.118 32.950 31.700 0.220 0.000 0.823 315 K N 2.215 122.712 120.400 0.161 0.000 2.298 315 K HA 0.268 4.588 4.320 -0.000 0.000 0.280 315 K C -0.543 176.213 176.600 0.259 0.000 1.032 315 K CA -0.281 56.110 56.287 0.174 0.000 0.958 315 K CB 0.210 32.757 32.500 0.079 0.000 0.978 315 K HN 0.259 nan 8.250 nan 0.000 0.472 316 F N 3.566 123.509 119.950 -0.012 0.000 2.483 316 F HA 0.468 4.995 4.527 -0.000 0.000 0.329 316 F C 0.423 176.214 175.800 -0.016 0.000 1.064 316 F CA -1.072 56.920 58.000 -0.014 0.000 0.986 316 F CB 1.130 40.121 39.000 -0.015 0.000 1.218 316 F HN 0.345 nan 8.300 nan 0.000 0.484 317 I N -0.824 119.793 120.570 0.078 0.000 2.646 317 I HA 0.588 4.758 4.170 -0.000 0.000 0.299 317 I C -1.434 174.714 176.117 0.051 0.000 1.036 317 I CA -0.847 60.477 61.300 0.041 0.000 1.074 317 I CB 2.303 40.291 38.000 -0.021 0.000 1.258 317 I HN 0.282 nan 8.210 nan 0.000 0.430 318 D N 5.319 125.744 120.400 0.041 0.000 2.303 318 D HA 0.451 5.091 4.640 -0.000 0.000 0.236 318 D C -0.773 175.534 176.300 0.012 0.000 1.068 318 D CA -0.144 53.875 54.000 0.032 0.000 0.830 318 D CB 2.869 43.685 40.800 0.026 0.000 1.109 318 D HN 0.366 nan 8.370 nan 0.000 0.496 319 V N 2.912 122.830 119.914 0.007 0.000 2.769 319 V HA 0.466 4.586 4.120 -0.000 0.000 0.312 319 V C -1.304 174.787 176.094 -0.005 0.000 1.061 319 V CA -0.821 61.480 62.300 0.001 0.000 0.931 319 V CB 2.391 34.212 31.823 -0.004 0.000 1.010 319 V HN 0.342 nan 8.190 nan 0.000 0.433 320 L N 6.220 127.437 121.223 -0.011 0.000 2.287 320 L HA 0.654 4.994 4.340 -0.000 0.000 0.287 320 L C -0.832 176.023 176.870 -0.026 0.000 1.022 320 L CA -0.142 54.684 54.840 -0.023 0.000 0.814 320 L CB 1.455 43.498 42.059 -0.027 0.000 1.217 320 L HN 0.720 nan 8.230 nan 0.000 0.420 321 L N 5.543 126.746 121.223 -0.033 0.000 2.307 321 L HA 0.598 4.937 4.340 -0.000 0.000 0.282 321 L C -0.692 176.169 176.870 -0.016 0.000 1.051 321 L CA 0.016 54.822 54.840 -0.056 0.000 0.804 321 L CB 1.006 42.971 42.059 -0.156 0.000 1.197 321 L HN 0.767 nan 8.230 nan 0.000 0.431 322 K N 3.958 124.367 120.400 0.015 0.000 2.427 322 K HA 0.730 5.050 4.320 -0.000 0.000 0.252 322 K C -2.090 174.586 176.600 0.127 0.000 0.931 322 K CA -0.729 55.595 56.287 0.063 0.000 0.793 322 K CB 2.009 34.528 32.500 0.032 0.000 1.211 322 K HN 0.453 nan 8.250 nan 0.000 0.426 323 V N 3.268 123.307 119.914 0.210 0.000 2.487 323 V HA 0.476 4.596 4.120 -0.000 0.000 0.298 323 V C -0.604 175.626 176.094 0.228 0.000 1.028 323 V CA -0.574 61.879 62.300 0.255 0.000 0.860 323 V CB 1.387 33.398 31.823 0.313 0.000 0.991 323 V HN 0.975 nan 8.190 nan 0.000 0.427 324 S N 2.357 118.188 115.700 0.218 0.000 2.671 324 S HA 0.875 5.345 4.470 -0.000 0.000 0.299 324 S C 0.658 175.325 174.600 0.112 0.000 1.116 324 S CA 0.043 58.326 58.200 0.138 0.000 0.912 324 S CB 1.955 65.200 63.200 0.074 0.000 1.130 324 S HN 2.207 nan 8.310 nan 0.000 0.501 325 G N 0.129 108.952 108.800 0.038 0.000 2.176 325 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.253 325 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.253 325 G C -0.112 174.780 174.900 -0.014 0.000 0.979 325 G CA 0.367 45.443 45.100 -0.041 0.000 0.641 325 G HN 1.653 nan 8.290 nan 0.000 0.530 326 I N -2.617 118.002 120.570 0.082 0.000 2.846 326 I HA 0.839 5.009 4.170 -0.000 0.000 0.307 326 I C 1.395 177.564 176.117 0.087 0.000 1.053 326 I CA -0.203 61.157 61.300 0.101 0.000 1.050 326 I CB 1.629 39.743 38.000 0.189 0.000 1.239 326 I HN 0.141 nan 8.210 nan 0.000 0.439 327 S N 2.664 118.406 115.700 0.070 0.000 2.353 327 S HA 0.070 4.540 4.470 -0.000 0.000 0.222 327 S C -0.990 173.648 174.600 0.063 0.000 1.035 327 S CA 0.929 59.162 58.200 0.055 0.000 1.025 327 S CB -1.435 61.791 63.200 0.043 0.000 0.902 327 S HN 0.791 nan 8.310 nan 0.000 0.440 328 P HA 0.436 nan 4.420 nan 0.000 0.297 328 P C -0.941 176.435 177.300 0.126 0.000 1.331 328 P CA -0.531 62.623 63.100 0.090 0.000 0.803 328 P CB 1.488 33.241 31.700 0.089 0.000 0.929 329 S N 2.862 118.632 115.700 0.117 0.000 2.576 329 S HA 0.334 4.804 4.470 -0.000 0.000 0.276 329 S C -0.494 174.222 174.600 0.193 0.000 1.339 329 S CA -0.462 57.825 58.200 0.145 0.000 1.039 329 S CB 0.463 63.721 63.200 0.097 0.000 0.902 329 S HN 0.519 nan 8.310 nan 0.000 0.516 330 Y N 1.410 121.766 120.300 0.093 0.000 2.429 330 Y HA 0.645 5.195 4.550 -0.000 0.000 0.342 330 Y C -0.123 175.831 175.900 0.089 0.000 1.004 330 Y CA -1.004 57.160 58.100 0.107 0.000 1.075 330 Y CB 1.514 40.067 38.460 0.155 0.000 1.214 330 Y HN 0.785 nan 8.280 nan 0.000 0.455 331 R N 3.242 123.421 120.500 -0.536 0.000 2.725 331 R HA 0.359 4.699 4.340 -0.000 0.000 0.277 331 R C -2.036 173.898 176.300 -0.610 0.000 0.987 331 R CA -1.180 54.681 56.100 -0.399 0.000 0.901 331 R CB 2.098 32.281 30.300 -0.196 0.000 1.207 331 R HN 0.812 nan 8.270 nan 0.000 0.463 332 H N -0.175 118.664 119.070 -0.384 0.000 2.877 332 H HA 0.248 4.804 4.556 -0.000 0.000 0.347 332 H C -1.386 173.859 175.328 -0.138 0.000 1.042 332 H CA -0.171 55.729 56.048 -0.248 0.000 1.276 332 H CB 1.884 31.581 29.762 -0.108 0.000 1.681 332 H HN 0.448 nan 8.280 nan 0.000 0.521 333 S N 4.509 120.023 115.700 -0.310 0.000 2.457 333 S HA 0.549 5.019 4.470 -0.000 0.000 0.289 333 S C -0.726 173.826 174.600 -0.079 0.000 1.163 333 S CA -0.222 57.889 58.200 -0.148 0.000 1.078 333 S CB 0.073 63.184 63.200 -0.148 0.000 0.987 333 S HN 0.638 nan 8.310 nan 0.000 0.482 334 V N 2.953 122.889 119.914 0.035 0.000 2.876 334 V HA 0.864 4.984 4.120 -0.000 0.000 0.312 334 V C -0.725 175.398 176.094 0.047 0.000 1.085 334 V CA -0.501 61.842 62.300 0.072 0.000 0.945 334 V CB 2.098 33.996 31.823 0.125 0.000 1.017 334 V HN 0.775 nan 8.190 nan 0.000 0.428 335 S N 3.792 119.538 115.700 0.075 0.000 2.478 335 S HA 0.866 5.336 4.470 -0.000 0.000 0.312 335 S C -0.366 174.321 174.600 0.145 0.000 1.094 335 S CA -0.294 57.988 58.200 0.137 0.000 1.081 335 S CB 1.292 64.612 63.200 0.201 0.000 1.007 335 S HN 1.683 nan 8.310 nan 0.000 0.475 336 V N 0.653 120.532 119.914 -0.058 0.000 3.130 336 V HA 0.754 4.874 4.120 -0.000 0.000 0.310 336 V C -3.243 172.295 176.094 -0.927 0.000 1.158 336 V CA -3.252 58.803 62.300 -0.408 0.000 1.029 336 V CB 1.245 32.938 31.823 -0.216 0.000 1.057 336 V HN 0.470 nan 8.190 nan 0.000 0.436 337 P HA 0.256 nan 4.420 nan 0.000 0.265 337 P C -0.074 176.996 177.300 -0.383 0.000 1.193 337 P CA 0.642 63.230 63.100 -0.853 0.000 0.765 337 P CB 0.327 31.714 31.700 -0.521 0.000 0.823 338 A N 3.537 126.219 122.820 -0.230 0.000 2.567 338 A HA 0.387 4.707 4.320 -0.000 0.000 0.240 338 A C 1.580 179.092 177.584 -0.121 0.000 1.053 338 A CA 0.994 52.954 52.037 -0.129 0.000 0.755 338 A CB -1.343 17.618 19.000 -0.064 0.000 0.978 338 A HN 0.869 nan 8.150 nan 0.000 0.507 339 G N 1.634 110.365 108.800 -0.116 0.000 2.213 339 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.226 339 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.226 339 G C 0.520 175.360 174.900 -0.100 0.000 0.992 339 G CA 0.217 45.258 45.100 -0.099 0.000 0.632 339 G HN 1.273 nan 8.290 nan 0.000 0.511 340 S N 1.326 116.953 115.700 -0.121 0.000 2.552 340 S HA 0.484 4.954 4.470 -0.000 0.000 0.289 340 S C 0.976 175.522 174.600 -0.090 0.000 1.304 340 S CA 0.437 58.575 58.200 -0.102 0.000 1.063 340 S CB 1.208 64.334 63.200 -0.124 0.000 0.848 340 S HN 1.535 nan 8.310 nan 0.000 0.499 341 S N 2.666 118.333 115.700 -0.056 0.000 2.632 341 S HA 0.273 4.743 4.470 -0.000 0.000 0.267 341 S C 1.084 175.666 174.600 -0.030 0.000 1.276 341 S CA -0.830 57.347 58.200 -0.038 0.000 0.998 341 S CB 0.381 63.581 63.200 0.001 0.000 0.953 341 S HN 0.532 nan 8.310 nan 0.000 0.547 342 L N 0.949 122.179 121.223 0.012 0.000 2.079 342 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 342 L C 2.507 179.327 176.870 -0.083 0.000 1.081 342 L CA 2.243 57.081 54.840 -0.003 0.000 0.752 342 L CB -1.222 40.882 42.059 0.076 0.000 0.896 342 L HN 1.023 nan 8.230 nan 0.000 0.433 343 E N -0.788 119.384 120.200 -0.047 0.000 2.085 343 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 343 E C 1.681 178.256 176.600 -0.041 0.000 0.994 343 E CA 1.541 57.910 56.400 -0.053 0.000 0.801 343 E CB -0.054 29.674 29.700 0.047 0.000 0.743 343 E HN 0.567 nan 8.360 nan 0.000 0.453 344 D N 0.473 120.863 120.400 -0.016 0.000 2.104 344 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 344 D C 2.069 178.348 176.300 -0.035 0.000 0.994 344 D CA 1.044 55.040 54.000 -0.006 0.000 0.830 344 D CB -0.265 40.525 40.800 -0.016 0.000 0.959 344 D HN 0.315 nan 8.370 nan 0.000 0.452 345 I N 0.635 121.157 120.570 -0.081 0.000 2.179 345 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 345 I C 2.470 178.464 176.117 -0.205 0.000 1.088 345 I CA 0.665 61.897 61.300 -0.113 0.000 1.357 345 I CB -0.106 37.825 38.000 -0.116 0.000 1.051 345 I HN -0.016 nan 8.210 nan 0.000 0.409 346 L N 0.291 121.323 121.223 -0.319 0.000 2.012 346 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 346 L C 2.553 179.328 176.870 -0.158 0.000 1.073 346 L CA 1.658 56.186 54.840 -0.520 0.000 0.748 346 L CB -0.699 40.736 42.059 -1.040 0.000 0.891 346 L HN 0.209 nan 8.230 nan 0.000 0.431 347 K N 0.070 120.485 120.400 0.025 0.000 2.057 347 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 347 K C 1.857 178.533 176.600 0.126 0.000 1.049 347 K CA 1.882 58.315 56.287 0.242 0.000 0.931 347 K CB -0.300 32.320 32.500 0.200 0.000 0.714 347 K HN 0.261 nan 8.250 nan 0.000 0.440 348 N N 0.607 119.349 118.700 0.070 0.000 2.069 348 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 348 N C 1.706 177.291 175.510 0.124 0.000 1.031 348 N CA 1.475 54.605 53.050 0.133 0.000 0.852 348 N CB -0.066 38.503 38.487 0.137 0.000 1.018 348 N HN 0.215 nan 8.380 nan 0.000 0.423 349 A N 0.191 122.973 122.820 -0.062 0.000 1.902 349 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 349 A C 2.141 179.716 177.584 -0.015 0.000 1.181 349 A CA 1.596 53.435 52.037 -0.329 0.000 0.623 349 A CB -0.885 17.634 19.000 -0.802 0.000 0.818 349 A HN 0.578 nan 8.150 nan 0.000 0.443 350 Q N -1.180 118.727 119.800 0.179 0.000 2.167 350 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 350 Q C 1.950 177.994 176.000 0.072 0.000 0.970 350 Q CA 1.678 57.607 55.803 0.209 0.000 0.855 350 Q CB -0.047 28.874 28.738 0.305 0.000 0.911 350 Q HN 0.595 nan 8.270 nan 0.000 0.438 351 E N -0.185 120.017 120.200 0.003 0.000 2.033 351 E HA -0.107 4.243 4.350 -0.000 0.000 0.189 351 E C 0.516 176.985 176.600 -0.218 0.000 0.979 351 E CA 1.383 57.679 56.400 -0.172 0.000 0.802 351 E CB 0.051 29.550 29.700 -0.333 0.000 0.763 351 E HN 0.503 nan 8.360 nan 0.000 0.449 352 H N -1.298 117.839 119.070 0.111 0.000 2.507 352 H HA 0.533 5.089 4.556 -0.000 0.000 0.294 352 H C 0.342 175.791 175.328 0.201 0.000 1.064 352 H CA 0.142 56.272 56.048 0.137 0.000 1.138 352 H CB 0.749 30.596 29.762 0.142 0.000 1.515 352 H HN 0.166 nan 8.280 nan 0.000 0.547 353 G N -0.504 108.453 108.800 0.262 0.000 2.494 353 G HA2 0.141 4.101 3.960 -0.000 0.000 0.308 353 G HA3 0.141 4.101 3.960 -0.000 0.000 0.308 353 G C -0.309 174.728 174.900 0.229 0.000 1.263 353 G CA -0.950 44.337 45.100 0.313 0.000 0.840 353 G HN 0.163 nan 8.290 nan 0.000 0.479 354 R N -0.715 119.956 120.500 0.285 0.000 2.388 354 R HA 0.242 4.582 4.340 -0.000 0.000 0.247 354 R C 0.091 176.441 176.300 0.083 0.000 0.931 354 R CA -0.320 55.888 56.100 0.179 0.000 1.082 354 R CB 0.121 30.537 30.300 0.194 0.000 1.135 354 R HN 0.288 nan 8.270 nan 0.000 0.525 355 F N 2.038 121.946 119.950 -0.070 0.000 2.459 355 F HA 0.166 4.693 4.527 -0.000 0.000 0.346 355 F C 0.415 176.124 175.800 -0.153 0.000 1.128 355 F CA -0.053 57.774 58.000 -0.288 0.000 1.268 355 F CB 0.480 39.331 39.000 -0.249 0.000 1.161 355 F HN -0.185 nan 8.300 nan 0.000 0.583 356 R N 5.630 125.534 120.500 -0.993 0.000 2.651 356 R HA 0.575 4.915 4.340 -0.000 0.000 0.278 356 R C -2.032 173.744 176.300 -0.872 0.000 1.010 356 R CA -0.619 55.081 56.100 -0.668 0.000 0.896 356 R CB 1.533 31.582 30.300 -0.418 0.000 1.211 356 R HN 0.653 nan 8.270 nan 0.000 0.456 357 F N 0.159 119.710 119.950 -0.665 0.000 2.668 357 F HA 0.648 5.175 4.527 -0.000 0.000 0.309 357 F C -1.671 173.962 175.800 -0.280 0.000 1.117 357 F CA -1.035 56.656 58.000 -0.514 0.000 0.951 357 F CB 1.565 40.332 39.000 -0.388 0.000 1.323 357 F HN 0.326 nan 8.300 nan 0.000 0.451 358 R N 1.025 121.329 120.500 -0.325 0.000 2.744 358 R HA 0.728 5.068 4.340 -0.000 0.000 0.279 358 R C -1.170 175.060 176.300 -0.115 0.000 0.977 358 R CA -0.756 55.155 56.100 -0.315 0.000 0.906 358 R CB 2.635 32.815 30.300 -0.199 0.000 1.197 358 R HN 1.013 nan 8.270 nan 0.000 0.463 359 T N -1.327 113.178 114.554 -0.082 0.000 2.930 359 T HA 0.479 4.829 4.350 -0.000 0.000 0.290 359 T C -0.578 174.159 174.700 0.062 0.000 1.052 359 T CA -0.963 61.160 62.100 0.039 0.000 1.017 359 T CB 2.093 71.025 68.868 0.107 0.000 1.137 359 T HN 0.614 nan 8.240 nan 0.000 0.511 360 Q N 0.758 120.647 119.800 0.148 0.000 2.413 360 Q HA 0.737 5.077 4.340 -0.000 0.000 0.276 360 Q C -0.677 175.420 176.000 0.162 0.000 1.099 360 Q CA -1.452 54.439 55.803 0.147 0.000 0.814 360 Q CB 1.964 30.805 28.738 0.172 0.000 1.379 360 Q HN 0.972 nan 8.270 nan 0.000 0.436 361 A N 1.662 124.544 122.820 0.104 0.000 2.483 361 A HA 0.497 4.817 4.320 -0.000 0.000 0.238 361 A C -0.005 177.622 177.584 0.072 0.000 1.070 361 A CA 0.508 52.600 52.037 0.092 0.000 0.770 361 A CB 0.090 19.130 19.000 0.066 0.000 1.008 361 A HN 0.962 nan 8.150 nan 0.000 0.497 362 S N 0.883 116.618 115.700 0.059 0.000 2.656 362 S HA 0.505 4.975 4.470 -0.000 0.000 0.273 362 S C 0.379 174.981 174.600 0.004 0.000 1.168 362 S CA -0.638 57.563 58.200 0.002 0.000 0.817 362 S CB 0.380 63.548 63.200 -0.054 0.000 1.146 362 S HN 0.565 nan 8.310 nan 0.000 0.475 363 L N 1.006 122.220 121.223 -0.015 0.000 2.362 363 L HA 0.049 4.389 4.340 -0.000 0.000 0.219 363 L C 1.904 178.738 176.870 -0.061 0.000 1.134 363 L CA 0.795 55.626 54.840 -0.015 0.000 0.807 363 L CB -0.593 41.474 42.059 0.012 0.000 0.927 363 L HN 0.711 nan 8.230 nan 0.000 0.447 364 S N -0.758 114.909 115.700 -0.056 0.000 2.575 364 S HA 0.350 4.820 4.470 -0.000 0.000 0.215 364 S C 0.847 175.420 174.600 -0.045 0.000 0.966 364 S CA 0.531 58.690 58.200 -0.068 0.000 0.911 364 S CB 0.495 63.660 63.200 -0.060 0.000 0.780 364 S HN 0.671 nan 8.310 nan 0.000 0.514 365 G N 1.839 110.635 108.800 -0.007 0.000 2.447 365 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.220 365 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.220 365 G C -3.382 171.591 174.900 0.121 0.000 1.261 365 G CA -1.318 43.816 45.100 0.056 0.000 1.000 365 G HN 0.073 nan 8.290 nan 0.000 0.515 366 P HA 0.422 nan 4.420 nan 0.000 0.265 366 P C -0.743 176.686 177.300 0.216 0.000 1.222 366 P CA 0.158 63.362 63.100 0.173 0.000 0.767 366 P CB 0.236 32.032 31.700 0.161 0.000 0.801 367 F N 5.454 125.444 119.950 0.067 0.000 2.405 367 F HA 0.372 4.899 4.527 -0.000 0.000 0.355 367 F C -0.351 175.510 175.800 0.101 0.000 1.121 367 F CA -1.413 56.628 58.000 0.068 0.000 1.112 367 F CB 0.604 39.636 39.000 0.052 0.000 1.126 367 F HN 0.087 nan 8.300 nan 0.000 0.481 368 L N 6.669 127.673 121.223 -0.366 0.000 2.418 368 L HA 0.223 4.563 4.340 -0.000 0.000 0.274 368 L C 0.855 177.493 176.870 -0.388 0.000 1.135 368 L CA 0.874 55.550 54.840 -0.273 0.000 0.870 368 L CB 0.503 42.455 42.059 -0.180 0.000 1.154 368 L HN 0.884 nan 8.230 nan 0.000 0.462 369 T N -0.557 113.916 114.554 -0.134 0.000 2.955 369 T HA 0.269 4.619 4.350 -0.000 0.000 0.251 369 T C 0.618 175.404 174.700 0.143 0.000 1.002 369 T CA 0.292 62.424 62.100 0.053 0.000 0.970 369 T CB 0.070 69.014 68.868 0.126 0.000 1.091 369 T HN 0.490 nan 8.240 nan 0.000 0.495 370 S N 0.217 115.856 115.700 -0.103 0.000 2.548 370 S HA 0.689 5.159 4.470 -0.000 0.000 0.276 370 S C -1.723 172.577 174.600 -0.501 0.000 1.129 370 S CA -0.501 57.606 58.200 -0.154 0.000 0.931 370 S CB 1.889 65.044 63.200 -0.074 0.000 1.068 370 S HN 0.244 nan 8.310 nan 0.000 0.480 371 V N 5.444 124.951 119.914 -0.679 0.000 2.686 371 V HA 0.509 4.629 4.120 -0.000 0.000 0.306 371 V C -0.002 175.803 176.094 -0.482 0.000 1.065 371 V CA -0.832 60.970 62.300 -0.830 0.000 0.894 371 V CB 1.405 32.327 31.823 -1.502 0.000 1.004 371 V HN 1.060 nan 8.190 nan 0.000 0.424 372 L N 4.621 125.517 121.223 -0.545 0.000 3.742 372 L HA -0.273 4.067 4.340 -0.000 0.000 0.431 372 L C 1.466 178.221 176.870 -0.191 0.000 1.220 372 L CA 0.977 55.589 54.840 -0.381 0.000 0.863 372 L CB -1.406 40.472 42.059 -0.303 0.000 1.751 372 L HN 1.291 nan 8.230 nan 0.000 0.922 373 G N -1.342 107.348 108.800 -0.182 0.000 2.179 373 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 373 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 373 G C 0.379 175.275 174.900 -0.006 0.000 0.977 373 G CA 0.274 45.320 45.100 -0.090 0.000 0.641 373 G HN 0.318 nan 8.290 nan 0.000 0.533 374 R N 0.640 121.174 120.500 0.057 0.000 2.233 374 R HA 0.362 4.702 4.340 -0.000 0.000 0.334 374 R C 0.318 176.809 176.300 0.319 0.000 1.037 374 R CA -0.554 55.664 56.100 0.197 0.000 0.920 374 R CB 1.149 31.638 30.300 0.316 0.000 1.137 374 R HN 0.407 nan 8.270 nan 0.000 0.492 375 K N 1.435 121.960 120.400 0.209 0.000 2.298 375 K HA 0.292 4.612 4.320 -0.000 0.000 0.280 375 K C -0.297 176.453 176.600 0.250 0.000 1.032 375 K CA -0.225 56.202 56.287 0.233 0.000 0.958 375 K CB 1.011 33.587 32.500 0.127 0.000 0.978 375 K HN 0.578 nan 8.250 nan 0.000 0.472 376 A N 3.455 126.457 122.820 0.302 0.000 2.488 376 A HA 0.347 4.667 4.320 -0.000 0.000 0.249 376 A C 0.601 178.271 177.584 0.143 0.000 1.083 376 A CA 0.249 52.371 52.037 0.141 0.000 0.768 376 A CB 0.113 19.213 19.000 0.167 0.000 1.017 376 A HN 0.916 nan 8.150 nan 0.000 0.496 377 G N 1.104 109.959 108.800 0.092 0.000 2.494 377 G HA2 0.385 4.345 3.960 -0.000 0.000 0.270 377 G HA3 0.385 4.345 3.960 -0.000 0.000 0.270 377 G C 0.485 175.463 174.900 0.129 0.000 1.423 377 G CA 0.076 45.232 45.100 0.093 0.000 1.055 377 G HN 0.667 nan 8.290 nan 0.000 0.536 378 E N -0.460 119.791 120.200 0.085 0.000 2.031 378 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 378 E C 2.025 178.664 176.600 0.065 0.000 0.994 378 E CA 1.036 57.477 56.400 0.069 0.000 0.800 378 E CB 0.002 29.714 29.700 0.020 0.000 0.752 378 E HN 0.372 nan 8.360 nan 0.000 0.447 379 R N 0.637 121.156 120.500 0.032 0.000 2.865 379 R HA 0.208 4.548 4.340 -0.000 0.000 0.370 379 R C -0.917 175.531 176.300 0.247 0.000 1.168 379 R CA 0.045 56.093 56.100 -0.086 0.000 1.058 379 R CB 0.162 30.318 30.300 -0.240 0.000 1.419 379 R HN 0.036 nan 8.270 nan 0.000 0.580 380 E N 0.226 120.687 120.200 0.435 0.000 2.277 380 E HA 0.389 4.739 4.350 -0.000 0.000 0.266 380 E C -1.111 175.805 176.600 0.527 0.000 0.901 380 E CA -1.071 55.574 56.400 0.409 0.000 0.782 380 E CB 2.001 31.754 29.700 0.088 0.000 1.228 380 E HN 0.107 nan 8.360 nan 0.000 0.424 381 F N -1.852 118.120 119.950 0.038 0.000 2.645 381 F HA 0.544 5.071 4.527 -0.000 0.000 0.310 381 F C -1.800 173.847 175.800 -0.254 0.000 1.102 381 F CA -1.494 56.453 58.000 -0.087 0.000 0.952 381 F CB 0.696 39.612 39.000 -0.140 0.000 1.326 381 F HN 0.417 nan 8.300 nan 0.000 0.456 382 W N 3.170 124.389 121.300 -0.134 0.000 2.481 382 W HA 0.414 5.074 4.660 -0.000 0.000 0.320 382 W C 0.153 176.502 176.519 -0.282 0.000 1.209 382 W CA -0.050 57.145 57.345 -0.249 0.000 1.400 382 W CB 0.908 30.270 29.460 -0.164 0.000 1.361 382 W HN 0.601 nan 8.180 nan 0.000 0.456 383 Q N 2.505 122.098 119.800 -0.345 0.000 2.243 383 Q HA 0.442 4.782 4.340 -0.000 0.000 0.252 383 Q C -0.895 175.084 176.000 -0.036 0.000 0.909 383 Q CA -0.389 55.265 55.803 -0.248 0.000 0.922 383 Q CB 1.269 29.703 28.738 -0.507 0.000 1.215 383 Q HN 0.276 nan 8.270 nan 0.000 0.427 384 V N 5.542 125.452 119.914 -0.006 0.000 2.417 384 V HA 0.455 4.575 4.120 -0.000 0.000 0.291 384 V C -0.624 175.420 176.094 -0.083 0.000 1.024 384 V CA -0.628 61.648 62.300 -0.041 0.000 0.861 384 V CB 1.197 32.983 31.823 -0.062 0.000 0.985 384 V HN 0.653 nan 8.190 nan 0.000 0.436 385 L N 4.135 125.306 121.223 -0.085 0.000 2.371 385 L HA 0.651 4.991 4.340 -0.000 0.000 0.262 385 L C -0.056 176.750 176.870 -0.107 0.000 1.006 385 L CA -0.623 54.163 54.840 -0.090 0.000 0.818 385 L CB 1.888 43.917 42.059 -0.050 0.000 1.354 385 L HN 0.606 nan 8.230 nan 0.000 0.415 386 R N 1.017 121.453 120.500 -0.107 0.000 2.229 386 R HA 0.276 4.616 4.340 -0.000 0.000 0.328 386 R C -0.850 175.435 176.300 -0.026 0.000 1.009 386 R CA -0.566 55.495 56.100 -0.064 0.000 0.864 386 R CB 0.888 31.157 30.300 -0.051 0.000 1.085 386 R HN 0.726 nan 8.270 nan 0.000 0.453 387 D N 5.091 125.484 120.400 -0.012 0.000 2.424 387 D HA 0.133 4.772 4.640 -0.000 0.000 0.244 387 D C -1.987 174.314 176.300 0.003 0.000 1.134 387 D CA -0.924 53.073 54.000 -0.004 0.000 0.881 387 D CB 0.977 41.777 40.800 -0.001 0.000 1.191 387 D HN 0.316 nan 8.370 nan 0.000 0.445 388 P HA 0.247 nan 4.420 nan 0.000 0.296 388 P C -0.677 176.624 177.300 0.001 0.000 1.306 388 P CA -0.368 62.733 63.100 0.002 0.000 0.818 388 P CB 1.038 32.741 31.700 0.005 0.000 0.969 389 D N 0.179 120.578 120.400 -0.003 0.000 2.882 389 D HA -0.103 4.537 4.640 -0.000 0.000 0.229 389 D C -0.649 175.652 176.300 0.000 0.000 1.167 389 D CA 1.237 55.236 54.000 -0.002 0.000 0.759 389 D CB -1.088 39.715 40.800 0.005 0.000 1.088 389 D HN 0.389 nan 8.370 nan 0.000 0.425 390 T N 1.364 115.913 114.554 -0.008 0.000 2.874 390 T HA 0.384 4.734 4.350 -0.000 0.000 0.321 390 T C -2.430 172.253 174.700 -0.027 0.000 1.075 390 T CA -1.174 60.922 62.100 -0.007 0.000 0.966 390 T CB 2.044 70.910 68.868 -0.003 0.000 1.001 390 T HN -0.128 nan 8.240 nan 0.000 0.476 391 P HA 0.117 nan 4.420 nan 0.000 0.265 391 P C 0.021 177.293 177.300 -0.047 0.000 1.193 391 P CA -0.272 62.816 63.100 -0.020 0.000 0.765 391 P CB 0.458 32.176 31.700 0.030 0.000 0.823 392 L N 3.099 124.252 121.223 -0.117 0.000 2.464 392 L HA 0.084 4.424 4.340 -0.000 0.000 0.264 392 L C 1.513 178.349 176.870 -0.057 0.000 1.199 392 L CA 0.219 54.949 54.840 -0.183 0.000 0.818 392 L CB 0.014 41.835 42.059 -0.397 0.000 1.102 392 L HN 0.419 nan 8.230 nan 0.000 0.473 393 Q N 0.708 120.503 119.800 -0.008 0.000 2.198 393 Q HA 0.203 4.543 4.340 -0.000 0.000 0.209 393 Q C -0.585 175.388 176.000 -0.044 0.000 0.848 393 Q CA 0.010 55.852 55.803 0.065 0.000 0.974 393 Q CB 0.932 29.785 28.738 0.191 0.000 1.115 393 Q HN 0.587 nan 8.270 nan 0.000 0.494 394 Q N -0.793 118.976 119.800 -0.052 0.000 2.421 394 Q HA 0.536 4.876 4.340 -0.000 0.000 0.280 394 Q C -0.391 175.588 176.000 -0.035 0.000 1.085 394 Q CA -0.754 54.999 55.803 -0.083 0.000 0.807 394 Q CB 2.023 30.791 28.738 0.051 0.000 1.405 394 Q HN 0.217 nan 8.270 nan 0.000 0.419 395 G N 0.315 109.100 108.800 -0.025 0.000 2.563 395 G HA2 0.288 4.248 3.960 -0.000 0.000 0.283 395 G HA3 0.288 4.248 3.960 -0.000 0.000 0.283 395 G C 0.885 175.814 174.900 0.048 0.000 1.309 395 G CA -0.381 44.730 45.100 0.017 0.000 1.022 395 G HN 0.809 nan 8.290 nan 0.000 0.501 396 I N -2.397 118.198 120.570 0.041 0.000 2.264 396 I HA -0.065 4.105 4.170 -0.000 0.000 0.248 396 I C 2.361 178.514 176.117 0.061 0.000 1.111 396 I CA 1.928 63.251 61.300 0.039 0.000 1.382 396 I CB -0.143 37.853 38.000 -0.007 0.000 1.060 396 I HN 0.303 nan 8.210 nan 0.000 0.418 397 A N 0.408 123.271 122.820 0.072 0.000 2.119 397 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 397 A C 1.811 179.438 177.584 0.071 0.000 1.152 397 A CA 1.391 53.476 52.037 0.081 0.000 0.708 397 A CB -0.373 18.692 19.000 0.110 0.000 0.805 397 A HN 0.552 nan 8.150 nan 0.000 0.460 398 D N -2.488 117.951 120.400 0.065 0.000 2.422 398 D HA 0.078 4.718 4.640 -0.000 0.000 0.218 398 D C -0.079 176.260 176.300 0.064 0.000 1.047 398 D CA 0.052 54.083 54.000 0.050 0.000 0.885 398 D CB -0.041 40.767 40.800 0.014 0.000 1.035 398 D HN 0.429 nan 8.370 nan 0.000 0.502 399 Y N 2.866 123.151 120.300 -0.024 0.000 2.442 399 Y HA 0.119 4.669 4.550 -0.000 0.000 0.330 399 Y C 0.099 175.986 175.900 -0.021 0.000 1.129 399 Y CA 0.005 58.092 58.100 -0.022 0.000 1.365 399 Y CB 0.391 38.835 38.460 -0.027 0.000 1.233 399 Y HN -0.328 nan 8.280 nan 0.000 0.529 400 R N 7.714 127.767 120.500 -0.745 0.000 2.358 400 R HA 0.320 4.660 4.340 -0.000 0.000 0.309 400 R C -2.733 173.134 176.300 -0.721 0.000 1.026 400 R CA -1.912 53.888 56.100 -0.501 0.000 0.909 400 R CB 0.910 31.042 30.300 -0.279 0.000 1.153 400 R HN 0.509 nan 8.270 nan 0.000 0.515 401 P HA 0.001 nan 4.420 nan 0.000 0.269 401 P C -0.415 176.788 177.300 -0.161 0.000 1.215 401 P CA -0.066 62.893 63.100 -0.234 0.000 0.780 401 P CB 0.732 32.442 31.700 0.016 0.000 0.898 402 K N 1.307 121.666 120.400 -0.068 0.000 2.123 402 K HA 0.241 4.561 4.320 -0.000 0.000 0.248 402 K C -0.153 176.439 176.600 -0.013 0.000 0.969 402 K CA -0.807 55.453 56.287 -0.045 0.000 0.882 402 K CB 0.631 33.118 32.500 -0.022 0.000 1.080 402 K HN 0.434 nan 8.250 nan 0.000 0.441 403 D N 0.343 120.736 120.400 -0.012 0.000 2.583 403 D HA -0.029 4.611 4.640 -0.000 0.000 0.232 403 D C 0.978 177.283 176.300 0.009 0.000 1.128 403 D CA 1.875 55.876 54.000 0.002 0.000 0.859 403 D CB 0.257 41.061 40.800 0.007 0.000 1.169 403 D HN 0.739 nan 8.370 nan 0.000 0.481 404 G N 3.167 111.973 108.800 0.011 0.000 2.155 404 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 404 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 404 G C 0.290 175.199 174.900 0.014 0.000 0.983 404 G CA 0.435 45.541 45.100 0.010 0.000 0.676 404 G HN 0.600 nan 8.290 nan 0.000 0.528 405 E N 0.554 120.768 120.200 0.023 0.000 2.354 405 E HA 0.429 4.779 4.350 -0.000 0.000 0.269 405 E C -0.064 176.550 176.600 0.024 0.000 1.036 405 E CA 0.149 56.571 56.400 0.036 0.000 0.876 405 E CB 0.664 30.409 29.700 0.075 0.000 1.009 405 E HN 0.139 nan 8.360 nan 0.000 0.416 406 T N 3.715 118.280 114.554 0.017 0.000 2.749 406 T HA 0.342 4.692 4.350 -0.000 0.000 0.287 406 T C -0.175 174.527 174.700 0.004 0.000 0.970 406 T CA -0.600 61.503 62.100 0.005 0.000 0.980 406 T CB 0.376 69.244 68.868 -0.001 0.000 0.924 406 T HN 0.208 nan 8.240 nan 0.000 0.456 407 I N 3.206 123.773 120.570 -0.005 0.000 2.354 407 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 407 I C 0.432 176.534 176.117 -0.024 0.000 0.989 407 I CA -0.749 60.538 61.300 -0.022 0.000 1.188 407 I CB 1.491 39.478 38.000 -0.022 0.000 1.342 407 I HN 0.686 nan 8.210 nan 0.000 0.457 408 E N 7.026 127.214 120.200 -0.020 0.000 2.166 408 E HA 0.516 4.866 4.350 -0.000 0.000 0.275 408 E C -1.430 175.187 176.600 0.027 0.000 0.941 408 E CA -0.662 55.745 56.400 0.011 0.000 0.784 408 E CB 1.513 31.221 29.700 0.012 0.000 1.115 408 E HN 0.482 nan 8.360 nan 0.000 0.399 409 L N 5.104 126.379 121.223 0.085 0.000 2.265 409 L HA 0.517 4.857 4.340 -0.000 0.000 0.289 409 L C 0.202 177.274 176.870 0.337 0.000 1.033 409 L CA -0.542 54.405 54.840 0.179 0.000 0.814 409 L CB 1.098 43.217 42.059 0.100 0.000 1.203 409 L HN 0.372 nan 8.230 nan 0.000 0.423 410 R N 3.486 124.127 120.500 0.235 0.000 2.439 410 R HA 0.419 4.759 4.340 -0.000 0.000 0.310 410 R C -1.210 174.911 176.300 -0.298 0.000 0.955 410 R CA -0.973 55.147 56.100 0.033 0.000 0.853 410 R CB 1.689 31.948 30.300 -0.068 0.000 1.171 410 R HN 0.452 nan 8.270 nan 0.000 0.449 411 L N 6.612 127.430 121.223 -0.676 0.000 2.433 411 L HA 0.211 4.551 4.340 -0.000 0.000 0.275 411 L C -0.564 175.959 176.870 -0.579 0.000 1.128 411 L CA 0.299 54.502 54.840 -1.062 0.000 0.875 411 L CB 0.978 42.267 42.059 -1.283 0.000 1.171 411 L HN 0.471 nan 8.230 nan 0.000 0.463 412 V N 2.352 121.914 119.914 -0.586 0.000 3.158 412 V HA 1.071 5.191 4.120 -0.000 0.000 0.311 412 V C 0.107 176.108 176.094 -0.155 0.000 1.181 412 V CA -0.215 61.866 62.300 -0.364 0.000 1.054 412 V CB 1.159 32.725 31.823 -0.428 0.000 1.085 412 V HN 0.763 nan 8.190 nan 0.000 0.446 413 G N -0.824 108.011 108.800 0.059 0.000 2.788 413 G HA2 0.861 4.821 3.960 -0.000 0.000 0.293 413 G HA3 0.861 4.821 3.960 -0.000 0.000 0.293 413 G C -1.356 173.891 174.900 0.578 0.000 1.305 413 G CA -0.273 45.013 45.100 0.309 0.000 1.005 413 G HN 1.949 nan 8.290 nan 0.000 0.496 414 W N 0.000 121.384 121.300 0.141 0.000 2.388 414 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 414 W CA 0.000 57.421 57.345 0.126 0.000 1.226 414 W CB 0.000 29.564 29.460 0.173 0.000 1.126 414 W HN 0.000 nan 8.180 nan 0.000 0.535