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 2zl0_1_N DATA FIRST_RESID 20 DATA SEQUENCE DIYSRLLKDR IVLLSGEIND SVASSIVAQL LFLEAEDPEK DIGLYINSPG DATA SEQUENCE GVITSGLSIY DTMNFIRPDV STICIGQAAS MGAFLLSCGA KGKRFSLPHS DATA SEQUENCE RIMIHQPLGG AQGQASDIEI ISNEILRLKG LMNSILAQNS GQSLEQIAKD DATA SEQUENCE TDRDFYMSAK EAKEYGLIDK VLQ 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.288 176.300 -0.020 0.000 2.045 20 D CA 0.000 54.007 54.000 0.011 0.000 0.868 20 D CB 0.000 40.829 40.800 0.048 0.000 0.688 21 I N 4.138 124.648 120.570 -0.100 0.000 2.248 21 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 21 I C 1.178 177.161 176.117 -0.223 0.000 1.107 21 I CA 1.843 63.015 61.300 -0.212 0.000 1.373 21 I CB -0.305 37.475 38.000 -0.368 0.000 1.055 21 I HN 0.492 nan 8.210 nan 0.000 0.418 22 Y N -0.194 120.092 120.300 -0.022 0.000 2.263 22 Y HA -0.090 4.460 4.550 -0.000 0.000 0.292 22 Y C 2.761 178.651 175.900 -0.016 0.000 1.130 22 Y CA 1.331 59.419 58.100 -0.021 0.000 1.179 22 Y CB -0.968 37.482 38.460 -0.017 0.000 0.998 22 Y HN 0.095 nan 8.280 nan 0.000 0.532 23 S N -0.225 115.547 115.700 0.120 0.000 2.348 23 S HA -0.172 4.298 4.470 -0.000 0.000 0.221 23 S C 2.169 176.795 174.600 0.043 0.000 1.033 23 S CA 0.907 59.141 58.200 0.058 0.000 1.010 23 S CB -0.197 63.019 63.200 0.026 0.000 0.891 23 S HN 0.270 nan 8.310 nan 0.000 0.442 24 R N 1.191 121.702 120.500 0.020 0.000 2.103 24 R HA -0.037 4.303 4.340 -0.000 0.000 0.242 24 R C 2.174 178.487 176.300 0.021 0.000 1.142 24 R CA 1.224 57.331 56.100 0.011 0.000 0.960 24 R CB -1.166 29.124 30.300 -0.017 0.000 0.858 24 R HN 0.436 nan 8.270 nan 0.000 0.439 25 L N 0.188 121.420 121.223 0.015 0.000 2.093 25 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 25 L C 2.429 179.340 176.870 0.069 0.000 1.085 25 L CA 0.632 55.486 54.840 0.022 0.000 0.755 25 L CB -0.478 41.581 42.059 -0.001 0.000 0.904 25 L HN 0.146 nan 8.230 nan 0.000 0.435 26 L N 0.129 121.407 121.223 0.091 0.000 2.191 26 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 26 L C 2.318 179.277 176.870 0.149 0.000 1.103 26 L CA 1.690 56.605 54.840 0.125 0.000 0.769 26 L CB -0.439 41.683 42.059 0.105 0.000 0.908 26 L HN 0.077 nan 8.230 nan 0.000 0.438 27 K N -0.865 119.604 120.400 0.116 0.000 2.504 27 K HA -0.044 4.276 4.320 -0.000 0.000 0.195 27 K C 0.423 177.077 176.600 0.090 0.000 1.036 27 K CA 0.703 57.062 56.287 0.119 0.000 0.984 27 K CB 0.074 32.626 32.500 0.086 0.000 0.788 27 K HN 0.349 nan 8.250 nan 0.000 0.488 28 D N 0.273 120.721 120.400 0.080 0.000 2.440 28 D HA 0.098 4.738 4.640 -0.000 0.000 0.216 28 D C -0.201 176.148 176.300 0.083 0.000 1.150 28 D CA 0.056 54.095 54.000 0.066 0.000 0.832 28 D CB 0.624 41.453 40.800 0.048 0.000 0.992 28 D HN 0.038 nan 8.370 nan 0.000 0.502 29 R N -0.150 120.411 120.500 0.103 0.000 3.854 29 R HA -0.148 4.192 4.340 -0.000 0.000 0.352 29 R C -0.243 176.143 176.300 0.143 0.000 1.156 29 R CA 0.391 56.559 56.100 0.112 0.000 0.917 29 R CB -2.453 27.899 30.300 0.087 0.000 1.471 29 R HN 0.270 nan 8.270 nan 0.000 0.521 30 I N 1.271 121.929 120.570 0.147 0.000 2.321 30 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 30 I C 0.475 176.698 176.117 0.176 0.000 0.998 30 I CA -0.804 60.606 61.300 0.183 0.000 1.227 30 I CB 1.965 40.028 38.000 0.104 0.000 1.368 30 I HN -0.253 nan 8.210 nan 0.000 0.466 31 V N 7.537 127.584 119.914 0.222 0.000 2.555 31 V HA 0.454 4.574 4.120 -0.000 0.000 0.302 31 V C -0.147 176.075 176.094 0.213 0.000 1.038 31 V CA -0.615 61.793 62.300 0.179 0.000 0.887 31 V CB 2.172 34.084 31.823 0.149 0.000 0.991 31 V HN 0.468 nan 8.190 nan 0.000 0.434 32 L N 5.418 126.731 121.223 0.151 0.000 2.305 32 L HA 0.527 4.867 4.340 -0.000 0.000 0.284 32 L C -0.856 176.062 176.870 0.080 0.000 1.013 32 L CA -0.647 54.283 54.840 0.150 0.000 0.819 32 L CB 1.676 43.825 42.059 0.150 0.000 1.227 32 L HN 0.448 nan 8.230 nan 0.000 0.417 33 L N 3.705 124.990 121.223 0.104 0.000 2.297 33 L HA 0.478 4.818 4.340 -0.000 0.000 0.277 33 L C -0.250 176.656 176.870 0.059 0.000 1.040 33 L CA 0.384 55.261 54.840 0.063 0.000 0.867 33 L CB 1.240 43.342 42.059 0.072 0.000 1.244 33 L HN 0.504 nan 8.230 nan 0.000 0.433 34 S N 3.445 119.162 115.700 0.029 0.000 2.503 34 S HA 0.916 5.386 4.470 -0.000 0.000 0.301 34 S C 0.121 174.730 174.600 0.016 0.000 1.087 34 S CA 0.330 58.549 58.200 0.032 0.000 1.042 34 S CB 0.963 64.184 63.200 0.034 0.000 1.043 34 S HN 1.572 nan 8.310 nan 0.000 0.489 35 G N 3.303 112.117 108.800 0.024 0.000 2.693 35 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.226 35 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.226 35 G C -0.705 174.204 174.900 0.014 0.000 1.354 35 G CA -0.478 44.633 45.100 0.017 0.000 0.873 35 G HN 0.763 nan 8.290 nan 0.000 0.562 36 E N -0.216 119.990 120.200 0.011 0.000 2.413 36 E HA 0.263 4.613 4.350 -0.000 0.000 0.263 36 E C 0.680 177.286 176.600 0.009 0.000 1.015 36 E CA 0.235 56.642 56.400 0.010 0.000 0.916 36 E CB 0.488 30.194 29.700 0.009 0.000 0.947 36 E HN 0.406 nan 8.360 nan 0.000 0.440 37 I N 3.628 124.205 120.570 0.012 0.000 2.385 37 I HA 0.178 4.348 4.170 -0.000 0.000 0.294 37 I C 0.247 176.371 176.117 0.011 0.000 0.988 37 I CA -0.412 60.897 61.300 0.015 0.000 1.265 37 I CB 0.986 38.999 38.000 0.023 0.000 1.388 37 I HN 0.505 nan 8.210 nan 0.000 0.480 38 N N 1.991 120.697 118.700 0.010 0.000 3.179 38 N HA 0.205 4.945 4.740 -0.000 0.000 0.250 38 N C -0.356 175.158 175.510 0.007 0.000 1.507 38 N CA -0.744 52.309 53.050 0.006 0.000 0.883 38 N CB 0.467 38.956 38.487 0.003 0.000 1.435 38 N HN 0.259 nan 8.380 nan 0.000 0.532 39 D N -0.203 120.199 120.400 0.004 0.000 2.182 39 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 39 D C 1.077 177.378 176.300 0.002 0.000 0.986 39 D CA 1.518 55.520 54.000 0.004 0.000 0.847 39 D CB -0.216 40.585 40.800 0.001 0.000 0.942 39 D HN 0.511 nan 8.370 nan 0.000 0.467 40 S N 0.196 115.896 115.700 -0.001 0.000 2.336 40 S HA -0.108 4.362 4.470 -0.000 0.000 0.214 40 S C 2.448 177.045 174.600 -0.005 0.000 1.032 40 S CA 0.902 59.099 58.200 -0.005 0.000 1.001 40 S CB -0.561 62.634 63.200 -0.008 0.000 0.953 40 S HN 0.078 nan 8.310 nan 0.000 0.430 41 V N 2.697 122.607 119.914 -0.006 0.000 2.282 41 V HA -0.280 3.840 4.120 -0.000 0.000 0.249 41 V C 2.725 178.822 176.094 0.006 0.000 1.057 41 V CA 1.865 64.161 62.300 -0.007 0.000 1.032 41 V CB -1.498 30.322 31.823 -0.005 0.000 0.645 41 V HN 0.563 nan 8.190 nan 0.000 0.447 42 A N -0.369 122.459 122.820 0.014 0.000 1.908 42 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 42 A C 2.477 180.076 177.584 0.025 0.000 1.181 42 A CA 2.445 54.498 52.037 0.026 0.000 0.627 42 A CB -0.790 18.227 19.000 0.027 0.000 0.818 42 A HN 0.520 nan 8.150 nan 0.000 0.445 43 S N -0.668 115.041 115.700 0.015 0.000 2.402 43 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 43 S C 2.276 176.886 174.600 0.016 0.000 1.021 43 S CA 1.286 59.495 58.200 0.015 0.000 0.974 43 S CB -0.292 62.912 63.200 0.007 0.000 0.800 43 S HN 0.691 nan 8.310 nan 0.000 0.484 44 S N 1.141 116.844 115.700 0.006 0.000 2.368 44 S HA 0.004 4.474 4.470 -0.000 0.000 0.225 44 S C 1.733 176.342 174.600 0.016 0.000 1.030 44 S CA 0.892 59.091 58.200 -0.001 0.000 0.999 44 S CB -0.334 62.852 63.200 -0.022 0.000 0.844 44 S HN 0.474 nan 8.310 nan 0.000 0.459 45 I N 0.707 121.294 120.570 0.028 0.000 2.233 45 I HA -0.086 4.084 4.170 -0.000 0.000 0.243 45 I C 2.295 178.453 176.117 0.069 0.000 1.093 45 I CA 0.710 62.041 61.300 0.051 0.000 1.380 45 I CB -0.499 37.534 38.000 0.056 0.000 1.067 45 I HN 0.158 nan 8.210 nan 0.000 0.413 46 V N 1.426 121.378 119.914 0.063 0.000 2.252 46 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 46 V C 2.811 178.958 176.094 0.088 0.000 1.056 46 V CA 2.249 64.594 62.300 0.075 0.000 1.022 46 V CB -1.112 30.744 31.823 0.056 0.000 0.641 46 V HN 0.521 nan 8.190 nan 0.000 0.445 47 A N -1.004 121.858 122.820 0.070 0.000 1.917 47 A HA -0.339 3.981 4.320 -0.000 0.000 0.219 47 A C 2.165 179.818 177.584 0.114 0.000 1.182 47 A CA 2.319 54.403 52.037 0.077 0.000 0.633 47 A CB -0.543 18.480 19.000 0.037 0.000 0.819 47 A HN 0.666 nan 8.150 nan 0.000 0.448 48 Q N -0.581 119.279 119.800 0.100 0.000 2.079 48 Q HA -0.033 4.307 4.340 -0.000 0.000 0.200 48 Q C 2.103 178.222 176.000 0.197 0.000 0.974 48 Q CA 1.330 57.219 55.803 0.143 0.000 0.840 48 Q CB -0.285 28.512 28.738 0.099 0.000 0.898 48 Q HN 0.696 nan 8.270 nan 0.000 0.430 49 L N 0.201 121.511 121.223 0.145 0.000 2.056 49 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 49 L C 2.283 179.228 176.870 0.125 0.000 1.078 49 L CA 0.858 55.775 54.840 0.128 0.000 0.749 49 L CB -0.465 41.660 42.059 0.110 0.000 0.901 49 L HN 0.263 nan 8.230 nan 0.000 0.433 50 L N -1.016 120.294 121.223 0.145 0.000 1.994 50 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 50 L C 2.608 179.552 176.870 0.124 0.000 1.071 50 L CA 1.416 56.335 54.840 0.132 0.000 0.745 50 L CB -0.651 41.498 42.059 0.149 0.000 0.892 50 L HN 0.135 nan 8.230 nan 0.000 0.431 51 F N 0.914 120.887 119.950 0.037 0.000 2.043 51 F HA -0.300 4.227 4.527 -0.000 0.000 0.297 51 F C 2.231 178.046 175.800 0.024 0.000 1.118 51 F CA 1.819 59.836 58.000 0.029 0.000 1.202 51 F CB -0.422 38.597 39.000 0.030 0.000 0.965 51 F HN -0.120 nan 8.300 nan 0.000 0.482 52 L N 0.085 121.293 121.223 -0.026 0.000 2.191 52 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 52 L C 2.470 179.251 176.870 -0.149 0.000 1.103 52 L CA 1.766 56.522 54.840 -0.140 0.000 0.769 52 L CB -0.896 41.199 42.059 0.060 0.000 0.908 52 L HN 0.368 nan 8.230 nan 0.000 0.438 53 E N 0.715 120.862 120.200 -0.088 0.000 2.106 53 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 53 E C 2.218 178.741 176.600 -0.129 0.000 0.984 53 E CA 1.065 57.412 56.400 -0.088 0.000 0.806 53 E CB 0.058 29.718 29.700 -0.066 0.000 0.750 53 E HN 0.437 nan 8.360 nan 0.000 0.458 54 A N 0.720 123.441 122.820 -0.165 0.000 1.968 54 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 54 A C 1.980 179.420 177.584 -0.241 0.000 1.169 54 A CA 1.338 53.270 52.037 -0.175 0.000 0.638 54 A CB -0.364 18.547 19.000 -0.150 0.000 0.812 54 A HN 0.221 nan 8.150 nan 0.000 0.446 55 E N -0.091 119.875 120.200 -0.389 0.000 2.110 55 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 55 E C -0.267 176.219 176.600 -0.190 0.000 0.988 55 E CA 1.341 57.518 56.400 -0.373 0.000 0.804 55 E CB 0.139 29.536 29.700 -0.506 0.000 0.745 55 E HN 0.488 nan 8.360 nan 0.000 0.458 56 D N -2.326 117.984 120.400 -0.149 0.000 2.192 56 D HA 0.005 4.645 4.640 -0.000 0.000 0.200 56 D C -2.496 173.757 176.300 -0.079 0.000 1.281 56 D CA -0.776 53.168 54.000 -0.092 0.000 0.895 56 D CB 0.909 41.668 40.800 -0.069 0.000 1.643 56 D HN -0.110 nan 8.370 nan 0.000 0.510 57 P HA -0.016 nan 4.420 nan 0.000 0.244 57 P C 0.581 177.849 177.300 -0.053 0.000 1.211 57 P CA 0.593 63.651 63.100 -0.070 0.000 0.760 57 P CB 0.734 32.388 31.700 -0.076 0.000 0.961 58 E N -0.291 119.883 120.200 -0.043 0.000 2.228 58 E HA 0.076 4.426 4.350 -0.000 0.000 0.197 58 E C 0.615 177.204 176.600 -0.019 0.000 0.909 58 E CA 0.256 56.638 56.400 -0.030 0.000 0.911 58 E CB -0.160 29.524 29.700 -0.026 0.000 0.887 58 E HN 0.176 nan 8.360 nan 0.000 0.481 59 K N 3.000 123.390 120.400 -0.017 0.000 2.511 59 K HA 0.002 4.322 4.320 -0.000 0.000 0.280 59 K C -0.068 176.536 176.600 0.007 0.000 1.008 59 K CA 0.259 56.544 56.287 -0.003 0.000 1.050 59 K CB 0.057 32.556 32.500 -0.001 0.000 0.889 59 K HN 0.036 nan 8.250 nan 0.000 0.484 60 D N 1.832 122.243 120.400 0.018 0.000 2.419 60 D HA 0.080 4.720 4.640 -0.000 0.000 0.236 60 D C 0.460 176.785 176.300 0.043 0.000 1.165 60 D CA 0.258 54.276 54.000 0.029 0.000 0.882 60 D CB 0.600 41.425 40.800 0.041 0.000 1.201 60 D HN 0.292 nan 8.370 nan 0.000 0.443 61 I N 0.174 120.773 120.570 0.048 0.000 2.474 61 I HA 0.382 4.552 4.170 -0.000 0.000 0.294 61 I C 0.684 176.850 176.117 0.080 0.000 1.005 61 I CA -0.728 60.614 61.300 0.070 0.000 1.113 61 I CB 2.132 40.172 38.000 0.066 0.000 1.289 61 I HN 0.229 nan 8.210 nan 0.000 0.436 62 G N 6.193 115.064 108.800 0.119 0.000 2.415 62 G HA2 0.521 4.481 3.960 -0.000 0.000 0.317 62 G HA3 0.521 4.481 3.960 -0.000 0.000 0.317 62 G C -1.200 173.790 174.900 0.151 0.000 1.152 62 G CA -0.324 44.845 45.100 0.114 0.000 0.956 62 G HN 0.372 nan 8.290 nan 0.000 0.458 63 L N 3.808 125.055 121.223 0.040 0.000 2.272 63 L HA 0.524 4.864 4.340 -0.000 0.000 0.284 63 L C -1.104 175.772 176.870 0.010 0.000 1.045 63 L CA -1.487 53.404 54.840 0.085 0.000 0.842 63 L CB -0.146 41.950 42.059 0.062 0.000 1.224 63 L HN 0.449 nan 8.230 nan 0.000 0.430 64 Y N 5.610 125.956 120.300 0.076 0.000 2.359 64 Y HA 0.439 4.989 4.550 -0.000 0.000 0.334 64 Y C 0.261 176.199 175.900 0.064 0.000 1.058 64 Y CA -0.027 58.117 58.100 0.073 0.000 1.244 64 Y CB 0.653 39.159 38.460 0.077 0.000 1.187 64 Y HN 0.417 nan 8.280 nan 0.000 0.510 65 I N 4.213 124.865 120.570 0.137 0.000 2.418 65 I HA 0.266 4.436 4.170 -0.000 0.000 0.287 65 I C -0.466 175.708 176.117 0.093 0.000 1.008 65 I CA -0.664 60.696 61.300 0.100 0.000 1.104 65 I CB 1.447 39.480 38.000 0.055 0.000 1.264 65 I HN 0.555 nan 8.210 nan 0.000 0.438 66 N N 4.815 123.568 118.700 0.088 0.000 2.690 66 N HA 0.299 5.039 4.740 -0.000 0.000 0.255 66 N C -1.654 173.888 175.510 0.054 0.000 1.195 66 N CA -0.028 53.066 53.050 0.074 0.000 0.790 66 N CB 1.577 40.116 38.487 0.086 0.000 1.216 66 N HN 0.620 nan 8.380 nan 0.000 0.528 67 S N 2.921 118.645 115.700 0.041 0.000 2.536 67 S HA 0.597 5.067 4.470 -0.000 0.000 0.271 67 S C -2.532 172.075 174.600 0.012 0.000 1.134 67 S CA -0.993 57.224 58.200 0.028 0.000 0.897 67 S CB 1.956 65.174 63.200 0.030 0.000 1.094 67 S HN 0.306 nan 8.310 nan 0.000 0.473 68 P HA 0.329 nan 4.420 nan 0.000 0.261 68 P C 0.857 178.133 177.300 -0.040 0.000 1.268 68 P CA 0.747 63.839 63.100 -0.014 0.000 0.833 68 P CB -0.068 31.635 31.700 0.005 0.000 1.231 69 G N -1.024 107.764 108.800 -0.020 0.000 2.428 69 G HA2 0.292 4.252 3.960 -0.000 0.000 0.202 69 G HA3 0.292 4.252 3.960 -0.000 0.000 0.202 69 G C -0.270 174.632 174.900 0.004 0.000 1.247 69 G CA -0.313 44.777 45.100 -0.017 0.000 1.020 69 G HN 0.593 nan 8.290 nan 0.000 0.529 70 G N -2.791 106.016 108.800 0.012 0.000 2.398 70 G HA2 0.513 4.473 3.960 -0.000 0.000 0.251 70 G HA3 0.513 4.473 3.960 -0.000 0.000 0.251 70 G C -0.346 174.561 174.900 0.012 0.000 1.277 70 G CA 0.580 45.689 45.100 0.015 0.000 0.927 70 G HN 1.903 nan 8.290 nan 0.000 0.477 71 V N 1.952 121.870 119.914 0.006 0.000 2.539 71 V HA 0.040 4.160 4.120 -0.000 0.000 0.300 71 V C 2.023 178.111 176.094 -0.011 0.000 1.019 71 V CA 0.975 63.274 62.300 -0.002 0.000 1.160 71 V CB 0.290 32.112 31.823 -0.000 0.000 0.901 71 V HN 0.572 nan 8.190 nan 0.000 0.481 72 I N 4.227 124.780 120.570 -0.028 0.000 2.113 72 I HA -0.226 3.944 4.170 -0.000 0.000 0.238 72 I C 2.635 178.727 176.117 -0.043 0.000 1.070 72 I CA 1.965 63.230 61.300 -0.060 0.000 1.332 72 I CB -0.634 37.314 38.000 -0.086 0.000 1.044 72 I HN 0.917 nan 8.210 nan 0.000 0.402 73 T N -1.765 112.773 114.554 -0.026 0.000 2.803 73 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 73 T C 1.934 176.640 174.700 0.010 0.000 1.052 73 T CA 1.751 63.846 62.100 -0.008 0.000 1.136 73 T CB -0.626 68.237 68.868 -0.009 0.000 0.864 73 T HN 0.246 nan 8.240 nan 0.000 0.467 74 S N 1.542 117.247 115.700 0.009 0.000 2.368 74 S HA 0.073 4.543 4.470 -0.000 0.000 0.225 74 S C 2.472 177.098 174.600 0.044 0.000 1.030 74 S CA 1.037 59.250 58.200 0.021 0.000 0.999 74 S CB -1.126 62.083 63.200 0.016 0.000 0.844 74 S HN 0.774 nan 8.310 nan 0.000 0.459 75 G N 1.724 110.549 108.800 0.041 0.000 2.418 75 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 75 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 75 G C 1.309 176.300 174.900 0.151 0.000 1.158 75 G CA 0.486 45.634 45.100 0.079 0.000 0.771 75 G HN 0.428 nan 8.290 nan 0.000 0.545 76 L N 1.615 122.912 121.223 0.123 0.000 2.191 76 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 76 L C 3.236 180.232 176.870 0.210 0.000 1.103 76 L CA 1.376 56.361 54.840 0.243 0.000 0.769 76 L CB -0.341 41.807 42.059 0.148 0.000 0.908 76 L HN 0.460 nan 8.230 nan 0.000 0.438 77 S N -0.274 115.492 115.700 0.109 0.000 2.428 77 S HA -0.088 4.382 4.470 -0.000 0.000 0.230 77 S C 1.826 176.469 174.600 0.072 0.000 1.014 77 S CA 0.588 58.821 58.200 0.055 0.000 0.957 77 S CB -0.356 62.859 63.200 0.024 0.000 0.784 77 S HN 0.365 nan 8.310 nan 0.000 0.499 78 I N 0.314 120.956 120.570 0.121 0.000 2.235 78 I HA -0.049 4.121 4.170 -0.000 0.000 0.241 78 I C 2.523 178.745 176.117 0.175 0.000 1.085 78 I CA 1.443 62.821 61.300 0.129 0.000 1.378 78 I CB -0.579 37.499 38.000 0.131 0.000 1.076 78 I HN 0.326 nan 8.210 nan 0.000 0.415 79 Y N 2.253 122.616 120.300 0.105 0.000 2.081 79 Y HA -0.362 4.188 4.550 -0.000 0.000 0.280 79 Y C 2.032 177.985 175.900 0.088 0.000 1.163 79 Y CA 1.935 60.099 58.100 0.107 0.000 1.135 79 Y CB -0.820 37.760 38.460 0.201 0.000 0.970 79 Y HN 0.173 nan 8.280 nan 0.000 0.498 80 D N -0.403 119.850 120.400 -0.246 0.000 2.123 80 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 80 D C 2.167 178.389 176.300 -0.129 0.000 0.992 80 D CA 2.188 55.964 54.000 -0.373 0.000 0.833 80 D CB -0.404 40.263 40.800 -0.222 0.000 0.954 80 D HN 0.494 nan 8.370 nan 0.000 0.455 81 T N 0.071 114.618 114.554 -0.012 0.000 2.746 81 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 81 T C 2.055 176.833 174.700 0.130 0.000 1.039 81 T CA 0.879 63.047 62.100 0.113 0.000 1.142 81 T CB -0.193 68.738 68.868 0.105 0.000 0.866 81 T HN 0.160 nan 8.240 nan 0.000 0.444 82 M N 1.448 121.092 119.600 0.073 0.000 2.144 82 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 82 M C 1.788 178.110 176.300 0.037 0.000 1.067 82 M CA 1.356 56.695 55.300 0.065 0.000 1.095 82 M CB -0.325 32.327 32.600 0.087 0.000 1.365 82 M HN 0.159 nan 8.290 nan 0.000 0.406 83 N N -0.902 117.797 118.700 -0.001 0.000 2.392 83 N HA -0.020 4.720 4.740 -0.000 0.000 0.177 83 N C 1.361 176.901 175.510 0.049 0.000 1.066 83 N CA 0.631 53.674 53.050 -0.011 0.000 0.895 83 N CB -0.138 38.298 38.487 -0.086 0.000 0.988 83 N HN 0.257 nan 8.380 nan 0.000 0.457 84 F N 2.986 122.887 119.950 -0.081 0.000 2.128 84 F HA 0.120 4.647 4.527 -0.000 0.000 0.295 84 F C 1.139 176.917 175.800 -0.036 0.000 1.100 84 F CA 0.123 58.087 58.000 -0.059 0.000 1.260 84 F CB -0.344 38.624 39.000 -0.053 0.000 1.009 84 F HN -0.165 nan 8.300 nan 0.000 0.476 85 I N -0.763 119.735 120.570 -0.120 0.000 3.004 85 I HA 0.152 4.322 4.170 -0.000 0.000 0.287 85 I C 1.404 177.426 176.117 -0.159 0.000 1.144 85 I CA -0.854 60.320 61.300 -0.209 0.000 1.353 85 I CB 0.463 38.428 38.000 -0.059 0.000 1.417 85 I HN -0.018 nan 8.210 nan 0.000 0.602 86 R N 1.904 122.314 120.500 -0.151 0.000 2.057 86 R HA 0.165 4.505 4.340 -0.000 0.000 0.229 86 R C -1.494 174.767 176.300 -0.064 0.000 1.136 86 R CA 0.461 56.496 56.100 -0.107 0.000 0.952 86 R CB -2.369 27.868 30.300 -0.105 0.000 0.848 86 R HN 0.632 nan 8.270 nan 0.000 0.430 87 P HA 0.013 nan 4.420 nan 0.000 0.266 87 P C -0.658 176.634 177.300 -0.014 0.000 1.195 87 P CA 0.159 63.242 63.100 -0.028 0.000 0.768 87 P CB 0.369 32.056 31.700 -0.022 0.000 0.838 88 D N 1.133 121.529 120.400 -0.007 0.000 2.424 88 D HA 0.109 4.749 4.640 -0.000 0.000 0.244 88 D C -0.132 176.174 176.300 0.010 0.000 1.134 88 D CA 0.246 54.244 54.000 -0.002 0.000 0.881 88 D CB 0.561 41.361 40.800 -0.001 0.000 1.191 88 D HN -0.012 nan 8.370 nan 0.000 0.445 89 V N 2.537 122.456 119.914 0.009 0.000 2.313 89 V HA 0.136 4.256 4.120 -0.000 0.000 0.278 89 V C 0.326 176.422 176.094 0.002 0.000 1.017 89 V CA -0.481 61.831 62.300 0.020 0.000 0.823 89 V CB 1.366 33.208 31.823 0.033 0.000 1.010 89 V HN 0.492 nan 8.190 nan 0.000 0.443 90 S N 4.569 120.274 115.700 0.009 0.000 2.537 90 S HA 0.597 5.067 4.470 -0.000 0.000 0.275 90 S C 0.215 174.796 174.600 -0.031 0.000 1.272 90 S CA -0.301 57.894 58.200 -0.008 0.000 1.050 90 S CB 0.936 64.180 63.200 0.073 0.000 0.961 90 S HN 0.911 nan 8.310 nan 0.000 0.496 91 T N 2.064 116.577 114.554 -0.070 0.000 2.888 91 T HA 0.738 5.088 4.350 -0.000 0.000 0.284 91 T C -0.728 173.924 174.700 -0.079 0.000 1.017 91 T CA -0.762 61.288 62.100 -0.084 0.000 1.022 91 T CB 0.846 69.673 68.868 -0.069 0.000 1.013 91 T HN 0.395 nan 8.240 nan 0.000 0.465 92 I N 1.997 122.473 120.570 -0.157 0.000 2.503 92 I HA 0.318 4.488 4.170 -0.000 0.000 0.282 92 I C 0.070 176.151 176.117 -0.059 0.000 1.059 92 I CA -0.675 60.549 61.300 -0.126 0.000 1.081 92 I CB 1.388 39.142 38.000 -0.409 0.000 1.210 92 I HN 0.924 nan 8.210 nan 0.000 0.450 93 C N 8.632 127.938 119.300 0.009 0.000 2.566 93 C HA 0.732 5.192 4.460 -0.000 0.000 0.393 93 C C 0.328 175.360 174.990 0.069 0.000 1.309 93 C CA -0.456 58.584 59.018 0.036 0.000 1.801 93 C CB -1.332 26.421 27.740 0.021 0.000 2.493 93 C HN 0.736 nan 8.230 nan 0.000 0.575 94 I N 5.330 125.959 120.570 0.099 0.000 2.545 94 I HA 0.763 4.933 4.170 -0.000 0.000 0.292 94 I C 0.545 176.720 176.117 0.097 0.000 1.040 94 I CA 0.255 61.625 61.300 0.116 0.000 1.068 94 I CB 1.710 39.811 38.000 0.168 0.000 1.251 94 I HN 0.953 nan 8.210 nan 0.000 0.424 95 G N 5.418 114.271 108.800 0.088 0.000 4.886 95 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.305 95 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.305 95 G C -0.078 174.863 174.900 0.069 0.000 1.483 95 G CA 0.748 45.893 45.100 0.076 0.000 1.029 95 G HN 1.259 nan 8.290 nan 0.000 0.746 96 Q N -1.347 118.490 119.800 0.062 0.000 2.633 96 Q HA 0.720 5.060 4.340 -0.000 0.000 0.289 96 Q C -0.987 175.033 176.000 0.034 0.000 0.940 96 Q CA -0.398 55.435 55.803 0.051 0.000 0.785 96 Q CB 1.696 30.469 28.738 0.059 0.000 1.467 96 Q HN 2.055 nan 8.270 nan 0.000 0.401 97 A N 0.559 123.387 122.820 0.013 0.000 2.855 97 A HA 0.777 5.097 4.320 -0.000 0.000 0.313 97 A C -1.013 176.544 177.584 -0.046 0.000 1.173 97 A CA 0.024 52.056 52.037 -0.008 0.000 0.753 97 A CB 0.646 19.639 19.000 -0.012 0.000 1.200 97 A HN 0.871 nan 8.150 nan 0.000 0.442 98 A N 1.305 124.089 122.820 -0.061 0.000 2.325 98 A HA 0.877 5.197 4.320 -0.000 0.000 0.333 98 A C 0.970 178.439 177.584 -0.191 0.000 1.155 98 A CA 0.418 52.368 52.037 -0.144 0.000 0.814 98 A CB 0.306 19.231 19.000 -0.125 0.000 1.206 98 A HN 1.945 nan 8.150 nan 0.000 0.482 99 S N 0.089 115.586 115.700 -0.337 0.000 4.054 99 S HA -0.349 4.120 4.470 -0.000 0.000 0.618 99 S C 1.467 176.019 174.600 -0.081 0.000 2.026 99 S CA 1.812 59.773 58.200 -0.398 0.000 4.205 99 S CB -1.272 61.574 63.200 -0.591 0.000 0.233 99 S HN 1.659 nan 8.310 nan 0.000 0.612 100 M N 2.873 122.457 119.600 -0.026 0.000 2.337 100 M HA -0.011 4.469 4.480 -0.000 0.000 0.261 100 M C 1.816 178.174 176.300 0.096 0.000 1.067 100 M CA 2.452 57.776 55.300 0.039 0.000 1.074 100 M CB -1.246 31.359 32.600 0.009 0.000 1.395 100 M HN 0.617 nan 8.290 nan 0.000 0.431 101 G N -1.200 107.619 108.800 0.032 0.000 2.403 101 G HA2 0.002 3.962 3.960 -0.000 0.000 0.216 101 G HA3 0.002 3.962 3.960 -0.000 0.000 0.216 101 G C 1.535 176.452 174.900 0.027 0.000 1.154 101 G CA 0.727 45.847 45.100 0.033 0.000 0.784 101 G HN 0.644 nan 8.290 nan 0.000 0.538 102 A N 0.381 123.204 122.820 0.004 0.000 1.930 102 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 102 A C 2.120 179.716 177.584 0.020 0.000 1.175 102 A CA 1.396 53.423 52.037 -0.017 0.000 0.627 102 A CB -0.531 18.433 19.000 -0.060 0.000 0.815 102 A HN 0.341 nan 8.150 nan 0.000 0.443 103 F N 0.725 120.625 119.950 -0.083 0.000 2.046 103 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 103 F C 2.018 177.752 175.800 -0.111 0.000 1.123 103 F CA 1.959 59.897 58.000 -0.103 0.000 1.199 103 F CB -0.344 38.593 39.000 -0.105 0.000 0.972 103 F HN 0.144 nan 8.300 nan 0.000 0.474 104 L N -0.433 120.839 121.223 0.082 0.000 2.012 104 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 104 L C 2.471 179.299 176.870 -0.070 0.000 1.073 104 L CA 1.088 55.935 54.840 0.011 0.000 0.748 104 L CB -1.012 41.109 42.059 0.104 0.000 0.891 104 L HN 0.293 nan 8.230 nan 0.000 0.431 105 L N 0.433 121.624 121.223 -0.052 0.000 2.051 105 L HA -0.252 4.088 4.340 -0.000 0.000 0.214 105 L C 2.690 179.487 176.870 -0.121 0.000 1.076 105 L CA 2.415 57.214 54.840 -0.070 0.000 0.758 105 L CB -0.724 41.303 42.059 -0.053 0.000 0.890 105 L HN 0.394 nan 8.230 nan 0.000 0.433 106 S N -2.972 112.626 115.700 -0.170 0.000 2.522 106 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 106 S C 1.757 176.215 174.600 -0.237 0.000 0.986 106 S CA 0.637 58.715 58.200 -0.203 0.000 0.929 106 S CB -1.375 61.693 63.200 -0.221 0.000 0.769 106 S HN 0.527 nan 8.310 nan 0.000 0.529 107 C N 2.169 121.315 119.300 -0.257 0.000 2.626 107 C HA 0.449 4.909 4.460 -0.000 0.000 0.266 107 C C 1.731 176.698 174.990 -0.039 0.000 1.317 107 C CA -0.764 58.151 59.018 -0.172 0.000 1.716 107 C CB -1.766 25.875 27.740 -0.164 0.000 1.819 107 C HN 0.713 nan 8.230 nan 0.000 0.578 108 G N 0.193 108.949 108.800 -0.072 0.000 2.580 108 G HA2 0.494 4.454 3.960 -0.000 0.000 0.278 108 G HA3 0.494 4.454 3.960 -0.000 0.000 0.278 108 G C 0.076 174.934 174.900 -0.071 0.000 1.212 108 G CA 0.094 45.161 45.100 -0.055 0.000 0.939 108 G HN 0.575 nan 8.290 nan 0.000 0.513 109 A N 0.735 123.521 122.820 -0.058 0.000 2.598 109 A HA 0.244 4.564 4.320 -0.000 0.000 0.239 109 A C 0.794 178.317 177.584 -0.100 0.000 1.032 109 A CA 0.235 52.236 52.037 -0.060 0.000 0.760 109 A CB 0.073 19.048 19.000 -0.042 0.000 0.946 109 A HN 0.443 nan 8.150 nan 0.000 0.512 110 K N 1.333 121.683 120.400 -0.084 0.000 2.451 110 K HA 0.288 4.608 4.320 -0.000 0.000 0.280 110 K C 1.327 177.861 176.600 -0.111 0.000 1.020 110 K CA 1.234 57.460 56.287 -0.101 0.000 1.008 110 K CB 0.392 32.850 32.500 -0.070 0.000 0.917 110 K HN 1.678 nan 8.250 nan 0.000 0.478 111 G N 2.760 111.467 108.800 -0.156 0.000 2.176 111 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 111 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 111 G C 0.373 175.120 174.900 -0.254 0.000 0.979 111 G CA 0.408 45.419 45.100 -0.149 0.000 0.641 111 G HN 0.578 nan 8.290 nan 0.000 0.530 112 K N -0.253 119.916 120.400 -0.385 0.000 2.619 112 K HA 0.218 4.538 4.320 -0.000 0.000 0.201 112 K C 0.484 176.544 176.600 -0.901 0.000 1.090 112 K CA -0.450 55.488 56.287 -0.582 0.000 1.063 112 K CB 0.836 33.252 32.500 -0.141 0.000 0.810 112 K HN 0.251 nan 8.250 nan 0.000 0.506 113 R N 1.029 121.001 120.500 -0.880 0.000 2.198 113 R HA 0.350 4.690 4.340 -0.000 0.000 0.339 113 R C -0.851 175.029 176.300 -0.699 0.000 1.020 113 R CA -0.254 55.494 56.100 -0.586 0.000 0.864 113 R CB 0.351 30.457 30.300 -0.323 0.000 1.105 113 R HN -0.106 nan 8.270 nan 0.000 0.463 114 F N 0.006 119.910 119.950 -0.078 0.000 2.598 114 F HA 0.580 5.107 4.527 -0.000 0.000 0.327 114 F C 0.503 176.261 175.800 -0.071 0.000 1.057 114 F CA -0.985 56.971 58.000 -0.073 0.000 0.957 114 F CB 2.175 41.126 39.000 -0.082 0.000 1.278 114 F HN 0.283 nan 8.300 nan 0.000 0.484 115 S N 1.099 116.906 115.700 0.178 0.000 2.533 115 S HA 0.634 5.104 4.470 -0.000 0.000 0.271 115 S C -1.284 173.351 174.600 0.060 0.000 1.143 115 S CA -0.748 57.500 58.200 0.080 0.000 0.891 115 S CB 0.735 63.958 63.200 0.038 0.000 1.105 115 S HN 0.592 nan 8.310 nan 0.000 0.468 116 L N 5.192 126.444 121.223 0.048 0.000 2.452 116 L HA 0.327 4.667 4.340 -0.000 0.000 0.267 116 L C -0.885 175.973 176.870 -0.020 0.000 1.188 116 L CA -1.789 53.069 54.840 0.030 0.000 0.821 116 L CB 0.487 42.585 42.059 0.065 0.000 1.102 116 L HN 0.620 nan 8.230 nan 0.000 0.470 117 P HA -0.239 nan 4.420 nan 0.000 0.216 117 P C 0.852 177.923 177.300 -0.382 0.000 1.154 117 P CA 1.787 64.724 63.100 -0.273 0.000 0.865 117 P CB -0.003 31.458 31.700 -0.399 0.000 0.789 118 H N -1.108 117.978 119.070 0.027 0.000 2.517 118 H HA 0.284 4.840 4.556 -0.000 0.000 0.282 118 H C 0.565 175.910 175.328 0.028 0.000 1.023 118 H CA -0.050 56.013 56.048 0.025 0.000 1.169 118 H CB -0.040 29.735 29.762 0.021 0.000 1.454 118 H HN 0.154 nan 8.280 nan 0.000 0.556 119 S N 1.820 117.567 115.700 0.079 0.000 2.585 119 S HA 0.268 4.738 4.470 -0.000 0.000 0.273 119 S C 0.878 175.512 174.600 0.056 0.000 1.339 119 S CA -0.638 57.604 58.200 0.070 0.000 1.028 119 S CB 1.223 64.455 63.200 0.053 0.000 0.906 119 S HN 0.537 nan 8.310 nan 0.000 0.528 120 R N 0.392 120.930 120.500 0.062 0.000 2.562 120 R HA 0.742 5.082 4.340 -0.000 0.000 0.298 120 R C -1.590 174.737 176.300 0.044 0.000 0.961 120 R CA -0.731 55.410 56.100 0.068 0.000 0.881 120 R CB 0.554 30.921 30.300 0.111 0.000 1.159 120 R HN 0.373 nan 8.270 nan 0.000 0.450 121 I N 3.021 123.593 120.570 0.004 0.000 2.493 121 I HA 0.471 4.641 4.170 -0.000 0.000 0.298 121 I C -0.346 175.694 176.117 -0.128 0.000 0.998 121 I CA -0.832 60.427 61.300 -0.068 0.000 1.137 121 I CB 2.062 39.993 38.000 -0.115 0.000 1.310 121 I HN 0.651 nan 8.210 nan 0.000 0.445 122 M N 7.717 127.197 119.600 -0.200 0.000 2.238 122 M HA 0.521 5.001 4.480 -0.000 0.000 0.278 122 M C -1.803 174.319 176.300 -0.296 0.000 1.040 122 M CA -0.512 54.580 55.300 -0.347 0.000 0.969 122 M CB 1.842 34.075 32.600 -0.612 0.000 1.694 122 M HN 0.562 nan 8.290 nan 0.000 0.472 123 I N 2.767 123.194 120.570 -0.240 0.000 2.493 123 I HA 0.729 4.899 4.170 -0.000 0.000 0.298 123 I C -0.620 175.523 176.117 0.044 0.000 0.998 123 I CA -0.499 60.744 61.300 -0.095 0.000 1.137 123 I CB 1.901 39.857 38.000 -0.073 0.000 1.310 123 I HN 0.902 nan 8.210 nan 0.000 0.445 124 H N 2.858 121.904 119.070 -0.040 0.000 3.015 124 H HA 0.567 5.123 4.556 -0.000 0.000 0.282 124 H C -1.489 173.828 175.328 -0.017 0.000 1.508 124 H CA -1.214 54.818 56.048 -0.027 0.000 1.209 124 H CB 1.246 30.973 29.762 -0.058 0.000 1.869 124 H HN 0.745 nan 8.280 nan 0.000 0.591 125 Q N 0.319 119.992 119.800 -0.211 0.000 2.180 125 Q HA 0.521 4.861 4.340 -0.000 0.000 0.241 125 Q C -2.665 172.966 176.000 -0.615 0.000 0.970 125 Q CA -2.238 53.400 55.803 -0.276 0.000 0.919 125 Q CB 1.620 30.266 28.738 -0.154 0.000 1.222 125 Q HN 0.382 nan 8.270 nan 0.000 0.482 126 P HA 0.113 nan 4.420 nan 0.000 0.271 126 P C -0.967 176.175 177.300 -0.263 0.000 1.218 126 P CA -0.040 62.868 63.100 -0.320 0.000 0.780 126 P CB 0.747 32.343 31.700 -0.173 0.000 0.901 127 L N 1.362 122.470 121.223 -0.191 0.000 2.334 127 L HA 0.865 5.205 4.340 -0.000 0.000 0.272 127 L C 1.035 177.868 176.870 -0.061 0.000 1.020 127 L CA -0.233 54.545 54.840 -0.103 0.000 0.812 127 L CB 1.896 43.929 42.059 -0.043 0.000 1.264 127 L HN 0.612 nan 8.230 nan 0.000 0.439 128 G N 0.062 108.836 108.800 -0.044 0.000 2.494 128 G HA2 0.690 4.650 3.960 -0.000 0.000 0.308 128 G HA3 0.690 4.650 3.960 -0.000 0.000 0.308 128 G C -1.489 173.397 174.900 -0.023 0.000 1.263 128 G CA -0.021 45.059 45.100 -0.032 0.000 0.840 128 G HN 0.887 nan 8.290 nan 0.000 0.479 129 G N -1.828 106.960 108.800 -0.020 0.000 2.632 129 G HA2 0.901 4.861 3.960 -0.000 0.000 0.292 129 G HA3 0.901 4.861 3.960 -0.000 0.000 0.292 129 G C -1.182 173.710 174.900 -0.014 0.000 1.465 129 G CA 0.488 45.579 45.100 -0.015 0.000 0.824 129 G HN 2.000 nan 8.290 nan 0.000 0.509 130 A N 0.012 122.824 122.820 -0.012 0.000 2.604 130 A HA 0.918 5.238 4.320 -0.000 0.000 0.295 130 A C -1.009 176.570 177.584 -0.009 0.000 1.067 130 A CA -0.467 51.564 52.037 -0.011 0.000 0.683 130 A CB 2.191 21.184 19.000 -0.012 0.000 1.281 130 A HN 0.972 nan 8.150 nan 0.000 0.407 131 Q N 0.044 119.840 119.800 -0.007 0.000 2.426 131 Q HA 0.574 4.914 4.340 -0.000 0.000 0.278 131 Q C -0.152 175.845 176.000 -0.006 0.000 1.007 131 Q CA 0.231 56.030 55.803 -0.006 0.000 0.850 131 Q CB 2.208 30.943 28.738 -0.005 0.000 1.427 131 Q HN 2.529 nan 8.270 nan 0.000 0.391 132 G N 1.632 110.429 108.800 -0.005 0.000 2.225 132 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.203 132 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.203 132 G C -1.270 173.627 174.900 -0.005 0.000 1.335 132 G CA -0.746 44.351 45.100 -0.005 0.000 1.183 132 G HN 0.538 nan 8.290 nan 0.000 0.488 133 Q N 0.010 119.807 119.800 -0.004 0.000 2.382 133 Q HA 0.546 4.886 4.340 -0.000 0.000 0.229 133 Q C 1.707 177.704 176.000 -0.005 0.000 1.006 133 Q CA 0.006 55.806 55.803 -0.004 0.000 0.916 133 Q CB 1.399 30.134 28.738 -0.004 0.000 1.235 133 Q HN 1.045 nan 8.270 nan 0.000 0.512 134 A N 1.019 123.837 122.820 -0.005 0.000 2.024 134 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 134 A C 2.005 179.585 177.584 -0.006 0.000 1.164 134 A CA 1.977 54.011 52.037 -0.005 0.000 0.643 134 A CB -0.338 18.659 19.000 -0.005 0.000 0.806 134 A HN 0.675 nan 8.150 nan 0.000 0.451 135 S N 0.086 115.783 115.700 -0.005 0.000 2.406 135 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 135 S C 1.413 176.009 174.600 -0.006 0.000 1.020 135 S CA 1.173 59.369 58.200 -0.005 0.000 0.965 135 S CB -0.261 62.936 63.200 -0.005 0.000 0.798 135 S HN 0.634 nan 8.310 nan 0.000 0.488 136 D N 1.403 121.799 120.400 -0.006 0.000 2.162 136 D HA 0.092 4.732 4.640 -0.000 0.000 0.203 136 D C 1.888 178.184 176.300 -0.008 0.000 0.967 136 D CA 0.639 54.635 54.000 -0.007 0.000 0.840 136 D CB -0.199 40.597 40.800 -0.006 0.000 0.972 136 D HN 0.342 nan 8.370 nan 0.000 0.482 137 I N 1.345 121.910 120.570 -0.008 0.000 2.179 137 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 137 I C 2.590 178.701 176.117 -0.010 0.000 1.088 137 I CA 1.098 62.392 61.300 -0.009 0.000 1.357 137 I CB -0.227 37.768 38.000 -0.008 0.000 1.051 137 I HN -0.011 nan 8.210 nan 0.000 0.409 138 E N 1.644 121.838 120.200 -0.009 0.000 2.085 138 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 138 E C 2.309 178.903 176.600 -0.010 0.000 0.994 138 E CA 1.439 57.833 56.400 -0.009 0.000 0.801 138 E CB -0.068 29.627 29.700 -0.007 0.000 0.743 138 E HN 0.470 nan 8.360 nan 0.000 0.453 139 I N 0.816 121.380 120.570 -0.009 0.000 2.226 139 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 139 I C 2.233 178.343 176.117 -0.012 0.000 1.100 139 I CA 0.495 61.789 61.300 -0.009 0.000 1.374 139 I CB -0.158 37.837 38.000 -0.008 0.000 1.057 139 I HN 0.272 nan 8.210 nan 0.000 0.413 140 I N -0.063 120.500 120.570 -0.013 0.000 2.163 140 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 140 I C 2.761 178.867 176.117 -0.018 0.000 1.081 140 I CA 1.355 62.646 61.300 -0.015 0.000 1.353 140 I CB -1.290 36.701 38.000 -0.015 0.000 1.054 140 I HN 0.180 nan 8.210 nan 0.000 0.407 141 S N 1.250 116.939 115.700 -0.017 0.000 2.368 141 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 141 S C 1.838 176.426 174.600 -0.020 0.000 1.044 141 S CA 1.980 60.169 58.200 -0.019 0.000 1.062 141 S CB -0.240 62.950 63.200 -0.016 0.000 0.931 141 S HN 0.430 nan 8.310 nan 0.000 0.440 142 N N 0.892 119.583 118.700 -0.016 0.000 2.104 142 N HA -0.124 4.616 4.740 -0.000 0.000 0.190 142 N C 1.772 177.272 175.510 -0.017 0.000 1.024 142 N CA 1.471 54.513 53.050 -0.014 0.000 0.853 142 N CB -0.700 37.781 38.487 -0.011 0.000 1.008 142 N HN 0.507 nan 8.380 nan 0.000 0.424 143 E N 1.267 121.457 120.200 -0.017 0.000 2.051 143 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 143 E C 1.928 178.512 176.600 -0.027 0.000 0.991 143 E CA 0.676 57.065 56.400 -0.019 0.000 0.799 143 E CB -0.451 29.238 29.700 -0.018 0.000 0.748 143 E HN 0.396 nan 8.360 nan 0.000 0.449 144 I N -0.176 120.376 120.570 -0.031 0.000 2.493 144 I HA -0.163 4.007 4.170 -0.000 0.000 0.254 144 I C 1.730 177.821 176.117 -0.044 0.000 1.160 144 I CA 0.678 61.953 61.300 -0.042 0.000 1.445 144 I CB 0.106 38.079 38.000 -0.045 0.000 1.086 144 I HN 0.179 nan 8.210 nan 0.000 0.433 145 L N 0.228 121.431 121.223 -0.033 0.000 2.240 145 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 145 L C 2.632 179.487 176.870 -0.025 0.000 1.106 145 L CA 0.681 55.503 54.840 -0.030 0.000 0.793 145 L CB -0.510 41.535 42.059 -0.022 0.000 0.927 145 L HN 0.235 nan 8.230 nan 0.000 0.446 146 R N 0.674 121.161 120.500 -0.022 0.000 2.073 146 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 146 R C 2.262 178.549 176.300 -0.022 0.000 1.120 146 R CA 1.075 57.166 56.100 -0.016 0.000 0.967 146 R CB -0.094 30.199 30.300 -0.012 0.000 0.862 146 R HN 0.294 nan 8.270 nan 0.000 0.436 147 L N 1.067 122.269 121.223 -0.036 0.000 2.093 147 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 147 L C 2.739 179.569 176.870 -0.068 0.000 1.085 147 L CA 1.530 56.337 54.840 -0.055 0.000 0.755 147 L CB -0.400 41.617 42.059 -0.070 0.000 0.904 147 L HN 0.264 nan 8.230 nan 0.000 0.435 148 K N 0.202 120.565 120.400 -0.061 0.000 2.026 148 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 148 K C 2.012 178.595 176.600 -0.028 0.000 1.048 148 K CA 1.588 57.840 56.287 -0.059 0.000 0.929 148 K CB -0.331 32.136 32.500 -0.054 0.000 0.713 148 K HN 0.306 nan 8.250 nan 0.000 0.439 149 G N 1.576 110.367 108.800 -0.015 0.000 2.402 149 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 149 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 149 G C 1.432 176.343 174.900 0.019 0.000 1.162 149 G CA 0.796 45.898 45.100 0.004 0.000 0.777 149 G HN 0.324 nan 8.290 nan 0.000 0.539 150 L N 0.450 121.681 121.223 0.014 0.000 1.989 150 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 150 L C 2.857 179.767 176.870 0.068 0.000 1.071 150 L CA 1.979 56.843 54.840 0.039 0.000 0.749 150 L CB -0.337 41.740 42.059 0.029 0.000 0.890 150 L HN 0.233 nan 8.230 nan 0.000 0.431 151 M N -0.958 118.653 119.600 0.019 0.000 2.175 151 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 151 M C 1.930 178.334 176.300 0.173 0.000 1.063 151 M CA 1.561 56.901 55.300 0.066 0.000 1.119 151 M CB -0.576 31.870 32.600 -0.257 0.000 1.377 151 M HN 0.314 nan 8.290 nan 0.000 0.415 152 N N 0.417 119.168 118.700 0.084 0.000 2.223 152 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 152 N C 1.877 177.438 175.510 0.084 0.000 1.016 152 N CA 1.777 54.880 53.050 0.089 0.000 0.863 152 N CB -0.182 38.339 38.487 0.055 0.000 0.983 152 N HN 0.372 nan 8.380 nan 0.000 0.429 153 S N -0.468 115.275 115.700 0.073 0.000 2.436 153 S HA 0.085 4.555 4.470 -0.000 0.000 0.228 153 S C 1.868 176.504 174.600 0.061 0.000 1.014 153 S CA 0.330 58.564 58.200 0.057 0.000 0.950 153 S CB -0.290 62.940 63.200 0.049 0.000 0.784 153 S HN 0.240 nan 8.310 nan 0.000 0.504 154 I N 0.386 121.014 120.570 0.097 0.000 2.500 154 I HA 0.008 4.178 4.170 -0.000 0.000 0.252 154 I C 2.250 178.354 176.117 -0.021 0.000 1.142 154 I CA 0.487 61.823 61.300 0.061 0.000 1.451 154 I CB -0.200 37.874 38.000 0.123 0.000 1.093 154 I HN 0.276 nan 8.210 nan 0.000 0.430 155 L N 1.009 122.269 121.223 0.062 0.000 2.109 155 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 155 L C 2.581 179.451 176.870 0.000 0.000 1.086 155 L CA 1.857 56.708 54.840 0.019 0.000 0.760 155 L CB -0.768 41.376 42.059 0.140 0.000 0.910 155 L HN 0.157 nan 8.230 nan 0.000 0.437 156 A N -1.415 121.417 122.820 0.020 0.000 1.930 156 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 156 A C 2.260 179.825 177.584 -0.032 0.000 1.175 156 A CA 1.571 53.603 52.037 -0.008 0.000 0.627 156 A CB -0.569 18.436 19.000 0.008 0.000 0.815 156 A HN 0.572 nan 8.150 nan 0.000 0.443 157 Q N -0.679 119.108 119.800 -0.022 0.000 2.369 157 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 157 Q C 1.174 177.141 176.000 -0.054 0.000 0.963 157 Q CA 1.127 56.913 55.803 -0.028 0.000 0.894 157 Q CB -0.024 28.712 28.738 -0.004 0.000 0.965 157 Q HN 0.612 nan 8.270 nan 0.000 0.475 158 N N -0.634 118.016 118.700 -0.083 0.000 2.402 158 N HA -0.037 4.703 4.740 -0.000 0.000 0.174 158 N C 1.557 177.008 175.510 -0.099 0.000 1.027 158 N CA 1.232 54.216 53.050 -0.110 0.000 0.891 158 N CB 0.390 38.768 38.487 -0.181 0.000 1.016 158 N HN 0.266 nan 8.380 nan 0.000 0.439 159 S N -1.487 114.157 115.700 -0.094 0.000 2.492 159 S HA 0.295 4.765 4.470 -0.000 0.000 0.218 159 S C 1.420 175.939 174.600 -0.135 0.000 1.016 159 S CA 0.694 58.826 58.200 -0.114 0.000 0.916 159 S CB 0.721 63.840 63.200 -0.136 0.000 0.791 159 S HN 0.305 nan 8.310 nan 0.000 0.513 160 G N 0.852 109.584 108.800 -0.113 0.000 2.176 160 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.232 160 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.232 160 G C -0.132 174.697 174.900 -0.118 0.000 0.986 160 G CA -0.146 44.893 45.100 -0.101 0.000 0.643 160 G HN 0.498 nan 8.290 nan 0.000 0.522 161 Q N 0.975 120.684 119.800 -0.153 0.000 2.312 161 Q HA 0.515 4.855 4.340 -0.000 0.000 0.236 161 Q C 0.826 176.782 176.000 -0.073 0.000 0.965 161 Q CA 0.409 56.119 55.803 -0.154 0.000 0.894 161 Q CB 1.389 29.991 28.738 -0.227 0.000 1.225 161 Q HN 0.794 nan 8.270 nan 0.000 0.478 162 S N 0.644 116.314 115.700 -0.049 0.000 2.565 162 S HA 0.150 4.620 4.470 -0.000 0.000 0.276 162 S C 1.273 175.871 174.600 -0.002 0.000 1.326 162 S CA -0.700 57.487 58.200 -0.021 0.000 1.045 162 S CB 0.671 63.864 63.200 -0.013 0.000 0.918 162 S HN 0.704 nan 8.310 nan 0.000 0.505 163 L N 1.187 122.414 121.223 0.006 0.000 2.034 163 L HA -0.210 4.130 4.340 -0.000 0.000 0.217 163 L C 2.966 179.854 176.870 0.029 0.000 1.077 163 L CA 2.375 57.227 54.840 0.020 0.000 0.769 163 L CB -0.435 41.635 42.059 0.019 0.000 0.890 163 L HN 1.022 nan 8.230 nan 0.000 0.435 164 E N -0.249 119.964 120.200 0.022 0.000 2.268 164 E HA -0.298 4.052 4.350 -0.000 0.000 0.195 164 E C 1.880 178.502 176.600 0.037 0.000 0.995 164 E CA 1.416 57.831 56.400 0.025 0.000 0.836 164 E CB -0.002 29.708 29.700 0.017 0.000 0.763 164 E HN 0.549 nan 8.360 nan 0.000 0.491 165 Q N 0.432 120.256 119.800 0.039 0.000 2.096 165 Q HA -0.016 4.324 4.340 -0.000 0.000 0.197 165 Q C 2.168 178.238 176.000 0.118 0.000 0.964 165 Q CA 1.128 56.968 55.803 0.062 0.000 0.838 165 Q CB -0.167 28.590 28.738 0.030 0.000 0.906 165 Q HN 0.278 nan 8.270 nan 0.000 0.444 166 I N 0.707 121.345 120.570 0.113 0.000 2.179 166 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 166 I C 2.210 178.411 176.117 0.140 0.000 1.088 166 I CA 1.387 62.789 61.300 0.171 0.000 1.357 166 I CB -1.804 36.275 38.000 0.132 0.000 1.051 166 I HN 0.297 nan 8.210 nan 0.000 0.409 167 A N 1.240 124.113 122.820 0.088 0.000 1.903 167 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 167 A C 2.353 179.972 177.584 0.058 0.000 1.191 167 A CA 2.213 54.287 52.037 0.061 0.000 0.638 167 A CB -0.635 18.388 19.000 0.039 0.000 0.823 167 A HN 0.451 nan 8.150 nan 0.000 0.451 168 K N -0.800 119.637 120.400 0.061 0.000 2.062 168 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 168 K C 1.568 178.190 176.600 0.038 0.000 1.051 168 K CA 1.288 57.598 56.287 0.039 0.000 0.941 168 K CB -0.272 32.247 32.500 0.032 0.000 0.719 168 K HN 0.404 nan 8.250 nan 0.000 0.440 169 D N 0.570 121.034 120.400 0.106 0.000 2.117 169 D HA -0.110 4.530 4.640 -0.000 0.000 0.198 169 D C 1.885 178.274 176.300 0.148 0.000 0.982 169 D CA 1.736 55.808 54.000 0.120 0.000 0.828 169 D CB -0.362 40.727 40.800 0.483 0.000 0.967 169 D HN 0.328 nan 8.370 nan 0.000 0.464 170 T N -1.625 113.038 114.554 0.181 0.000 3.148 170 T HA -0.033 4.317 4.350 -0.000 0.000 0.253 170 T C 1.324 176.067 174.700 0.071 0.000 1.134 170 T CA 0.464 62.653 62.100 0.149 0.000 1.051 170 T CB 0.199 69.153 68.868 0.144 0.000 0.959 170 T HN -0.092 nan 8.240 nan 0.000 0.525 171 D N 1.946 122.369 120.400 0.038 0.000 2.116 171 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 171 D C 1.071 177.373 176.300 0.003 0.000 0.998 171 D CA 1.204 55.208 54.000 0.007 0.000 0.836 171 D CB 0.228 41.026 40.800 -0.004 0.000 0.951 171 D HN 0.482 nan 8.370 nan 0.000 0.449 172 R N -0.068 120.437 120.500 0.008 0.000 2.919 172 R HA 0.331 4.671 4.340 -0.000 0.000 0.260 172 R C -0.842 175.485 176.300 0.046 0.000 1.067 172 R CA -0.952 55.159 56.100 0.019 0.000 1.003 172 R CB 0.655 30.957 30.300 0.003 0.000 1.192 172 R HN -0.008 nan 8.270 nan 0.000 0.488 173 D N 1.298 121.733 120.400 0.058 0.000 2.533 173 D HA -0.057 4.583 4.640 -0.000 0.000 0.236 173 D C -0.819 175.502 176.300 0.036 0.000 1.137 173 D CA 0.936 54.940 54.000 0.007 0.000 0.867 173 D CB 0.220 40.993 40.800 -0.045 0.000 1.170 173 D HN 0.141 nan 8.370 nan 0.000 0.474 174 F N 4.108 123.931 119.950 -0.211 0.000 2.366 174 F HA 0.270 4.797 4.527 -0.000 0.000 0.366 174 F C -1.216 174.439 175.800 -0.241 0.000 1.096 174 F CA -1.325 56.579 58.000 -0.160 0.000 1.060 174 F CB -0.212 38.693 39.000 -0.159 0.000 1.282 174 F HN 0.179 nan 8.300 nan 0.000 0.450 175 Y N 5.463 125.946 120.300 0.305 0.000 2.299 175 Y HA 0.593 5.143 4.550 -0.000 0.000 0.326 175 Y C 0.308 176.227 175.900 0.033 0.000 1.164 175 Y CA -0.208 57.947 58.100 0.091 0.000 1.234 175 Y CB 1.389 39.890 38.460 0.069 0.000 1.219 175 Y HN 0.447 nan 8.280 nan 0.000 0.497 176 M N 1.696 121.334 119.600 0.064 0.000 2.484 176 M HA 0.334 4.814 4.480 -0.000 0.000 0.289 176 M C -0.522 175.781 176.300 0.005 0.000 1.206 176 M CA -0.831 54.446 55.300 -0.038 0.000 0.892 176 M CB 2.488 34.932 32.600 -0.261 0.000 1.712 176 M HN 0.704 nan 8.290 nan 0.000 0.462 177 S N 0.902 116.608 115.700 0.010 0.000 2.655 177 S HA 0.583 5.053 4.470 -0.000 0.000 0.265 177 S C 1.015 175.607 174.600 -0.012 0.000 1.240 177 S CA -0.083 58.125 58.200 0.015 0.000 0.986 177 S CB 1.243 64.455 63.200 0.020 0.000 0.985 177 S HN 0.791 nan 8.310 nan 0.000 0.562 178 A N 1.050 123.862 122.820 -0.014 0.000 1.877 178 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 178 A C 2.190 179.764 177.584 -0.017 0.000 1.186 178 A CA 1.839 53.864 52.037 -0.020 0.000 0.620 178 A CB -1.054 17.929 19.000 -0.028 0.000 0.822 178 A HN 0.943 nan 8.150 nan 0.000 0.443 179 K N -0.163 120.227 120.400 -0.016 0.000 2.009 179 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 179 K C 1.944 178.549 176.600 0.007 0.000 1.049 179 K CA 1.850 58.134 56.287 -0.004 0.000 0.929 179 K CB -0.243 32.255 32.500 -0.003 0.000 0.714 179 K HN 0.633 nan 8.250 nan 0.000 0.440 180 E N -0.151 120.052 120.200 0.006 0.000 2.118 180 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 180 E C 1.916 178.519 176.600 0.004 0.000 0.992 180 E CA 1.071 57.480 56.400 0.014 0.000 0.804 180 E CB -0.141 29.564 29.700 0.007 0.000 0.741 180 E HN 0.441 nan 8.360 nan 0.000 0.458 181 A N 1.573 124.372 122.820 -0.035 0.000 1.969 181 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 181 A C 2.060 179.657 177.584 0.022 0.000 1.169 181 A CA 1.244 53.258 52.037 -0.039 0.000 0.635 181 A CB -0.270 18.686 19.000 -0.073 0.000 0.810 181 A HN 0.034 nan 8.150 nan 0.000 0.445 182 K N 0.046 120.453 120.400 0.012 0.000 2.062 182 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 182 K C 1.805 178.417 176.600 0.020 0.000 1.051 182 K CA 1.484 57.776 56.287 0.008 0.000 0.941 182 K CB -0.168 32.337 32.500 0.007 0.000 0.719 182 K HN 0.663 nan 8.250 nan 0.000 0.440 183 E N -0.575 119.649 120.200 0.039 0.000 2.110 183 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 183 E C 1.882 178.517 176.600 0.058 0.000 0.988 183 E CA 1.026 57.452 56.400 0.043 0.000 0.804 183 E CB -0.260 29.474 29.700 0.056 0.000 0.745 183 E HN 0.351 nan 8.360 nan 0.000 0.458 184 Y N 0.778 121.048 120.300 -0.051 0.000 2.293 184 Y HA -0.061 4.489 4.550 -0.000 0.000 0.291 184 Y C 1.587 177.449 175.900 -0.064 0.000 1.137 184 Y CA 1.666 59.728 58.100 -0.063 0.000 1.202 184 Y CB 0.252 38.633 38.460 -0.131 0.000 0.990 184 Y HN 0.152 nan 8.280 nan 0.000 0.537 185 G N -0.804 108.007 108.800 0.019 0.000 2.135 185 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.183 185 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.183 185 G C 0.750 175.634 174.900 -0.027 0.000 1.004 185 G CA 0.295 45.366 45.100 -0.048 0.000 0.677 185 G HN 0.397 nan 8.290 nan 0.000 0.512 186 L N -0.143 121.095 121.223 0.025 0.000 2.249 186 L HA 0.398 4.738 4.340 -0.000 0.000 0.207 186 L C 1.710 178.536 176.870 -0.074 0.000 1.090 186 L CA 1.254 56.085 54.840 -0.016 0.000 0.802 186 L CB -0.157 41.899 42.059 -0.006 0.000 0.947 186 L HN 0.599 nan 8.230 nan 0.000 0.453 187 I N -5.704 114.823 120.570 -0.072 0.000 3.108 187 I HA 0.375 4.545 4.170 -0.000 0.000 0.312 187 I C -0.137 175.909 176.117 -0.118 0.000 1.095 187 I CA -0.836 60.395 61.300 -0.114 0.000 1.000 187 I CB 1.787 39.738 38.000 -0.082 0.000 1.229 187 I HN -0.214 nan 8.210 nan 0.000 0.454 188 D N 0.945 121.229 120.400 -0.194 0.000 2.269 188 D HA 0.094 4.734 4.640 -0.000 0.000 0.220 188 D C 0.226 176.498 176.300 -0.046 0.000 0.962 188 D CA 1.234 55.141 54.000 -0.155 0.000 0.884 188 D CB 0.589 41.234 40.800 -0.258 0.000 1.023 188 D HN 0.492 nan 8.370 nan 0.000 0.484 189 K N 0.151 120.568 120.400 0.030 0.000 2.480 189 K HA 0.457 4.777 4.320 -0.000 0.000 0.258 189 K C -1.707 175.033 176.600 0.233 0.000 0.990 189 K CA -0.606 55.794 56.287 0.187 0.000 0.857 189 K CB 2.832 35.541 32.500 0.347 0.000 1.384 189 K HN -0.319 nan 8.250 nan 0.000 0.446 190 V N 4.058 124.051 119.914 0.133 0.000 2.334 190 V HA 0.284 4.404 4.120 -0.000 0.000 0.281 190 V C -0.108 176.009 176.094 0.039 0.000 1.016 190 V CA -0.790 61.558 62.300 0.080 0.000 0.832 190 V CB 1.164 32.999 31.823 0.020 0.000 0.999 190 V HN 0.661 nan 8.190 nan 0.000 0.439 191 L N 6.918 128.148 121.223 0.011 0.000 2.574 191 L HA 0.122 4.462 4.340 -0.000 0.000 0.281 191 L C 1.277 178.125 176.870 -0.037 0.000 1.212 191 L CA 0.012 54.816 54.840 -0.061 0.000 1.082 191 L CB -0.334 41.651 42.059 -0.125 0.000 1.362 191 L HN 0.738 nan 8.230 nan 0.000 0.451 192 Q N 0.000 119.781 119.800 -0.031 0.000 2.315 192 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 192 Q CA 0.000 55.784 55.803 -0.032 0.000 1.022 192 Q CB 0.000 28.722 28.738 -0.026 0.000 1.108 192 Q HN 0.000 nan 8.270 nan 0.000 0.481