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 1dkm_1_A DATA FIRST_RESID 1 DATA SEQUENCE QSEPELKLES VVIVSRHGVR APTKATQLMQ DVTPDAWPTW PVKLGWLTPR DATA SEQUENCE GGELIAYLGH YQRQRLVADG LLAKKGcPQS GQVAIIADVD ERTRKTGEAF DATA SEQUENCE AAGLAPDcAI TVHTQTDTSS PDPLFNPLKT GVcQLDNANV TDAILSRAGG DATA SEQUENCE SIADFTGHRQ TAFRELERVL NFPQSNLcLK REKQDEScSL TQALPSELKV DATA SEQUENCE SADNVSLTGA VSLASMLTEI FLLQQAQGMP EPGWGRITDS HQWNTLLSLH DATA SEQUENCE NAQFYLLQRT PEVARSRATP LLDLIKTALT PHPPQKQAYG VTLPTSVLFI DATA SEQUENCE AGHDTNLANL GGALELNWTL PGQPDNTPPG GELVFERWRR LSDNSQWIQV DATA SEQUENCE SLVFQTLQQM RDKTPLSLNT PPGEVKLTLA GcEERNAQGM cSLAGFTQIV DATA SEQUENCE NEARIPAcSL 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.999 176.000 -0.001 0.000 1.003 1 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 1 Q CB 0.000 28.738 28.738 -0.001 0.000 1.108 2 S N 2.164 117.862 115.700 -0.003 0.000 2.531 2 S HA 0.348 4.818 4.470 0.001 0.000 0.279 2 S C -0.245 174.355 174.600 -0.001 0.000 1.305 2 S CA -0.186 58.011 58.200 -0.004 0.000 1.058 2 S CB 0.653 63.848 63.200 -0.009 0.000 0.899 2 S HN 0.474 nan 8.310 nan 0.000 0.493 3 E N 2.445 122.647 120.200 0.002 0.000 2.242 3 E HA 0.460 4.811 4.350 0.001 0.000 0.275 3 E C -2.253 174.353 176.600 0.010 0.000 1.002 3 E CA -1.794 54.612 56.400 0.010 0.000 0.841 3 E CB 0.226 29.933 29.700 0.013 0.000 1.109 3 E HN 0.307 nan 8.360 nan 0.000 0.394 4 P HA 0.044 nan 4.420 nan 0.000 0.268 4 P C -0.134 177.182 177.300 0.027 0.000 1.204 4 P CA 0.048 63.163 63.100 0.025 0.000 0.768 4 P CB 0.560 32.301 31.700 0.068 0.000 0.842 5 E N 2.068 122.267 120.200 -0.002 0.000 2.435 5 E HA 0.051 4.402 4.350 0.001 0.000 0.195 5 E C -0.042 176.576 176.600 0.029 0.000 1.029 5 E CA 0.313 56.712 56.400 -0.001 0.000 0.865 5 E CB 0.103 29.777 29.700 -0.042 0.000 0.833 5 E HN 0.183 nan 8.360 nan 0.000 0.510 6 L N 1.702 122.961 121.223 0.060 0.000 2.365 6 L HA 0.446 4.787 4.340 0.001 0.000 0.273 6 L C -0.540 176.558 176.870 0.380 0.000 1.000 6 L CA -0.609 54.340 54.840 0.183 0.000 0.819 6 L CB 1.855 43.950 42.059 0.060 0.000 1.284 6 L HN 0.034 nan 8.230 nan 0.000 0.418 7 K N 3.197 123.821 120.400 0.373 0.000 2.323 7 K HA 0.385 4.705 4.320 0.001 0.000 0.259 7 K C -0.952 175.685 176.600 0.061 0.000 0.947 7 K CA -0.819 55.610 56.287 0.237 0.000 0.819 7 K CB 1.877 34.442 32.500 0.108 0.000 1.109 7 K HN 0.395 nan 8.250 nan 0.000 0.429 8 L N 4.562 125.556 121.223 -0.382 0.000 2.418 8 L HA 0.099 4.440 4.340 0.001 0.000 0.274 8 L C 0.210 176.824 176.870 -0.428 0.000 1.135 8 L CA 1.137 55.407 54.840 -0.949 0.000 0.870 8 L CB 0.406 41.705 42.059 -1.267 0.000 1.154 8 L HN 0.824 nan 8.230 nan 0.000 0.462 9 E N 2.142 122.143 120.200 -0.332 0.000 2.572 9 E HA 0.202 4.552 4.350 0.001 0.000 0.220 9 E C -0.391 176.126 176.600 -0.139 0.000 0.945 9 E CA -0.039 56.260 56.400 -0.168 0.000 1.070 9 E CB 0.796 30.449 29.700 -0.078 0.000 1.090 9 E HN 0.535 nan 8.360 nan 0.000 0.506 10 S N 0.495 116.087 115.700 -0.181 0.000 2.570 10 S HA 0.375 4.846 4.470 0.001 0.000 0.286 10 S C -1.657 172.880 174.600 -0.105 0.000 1.143 10 S CA -0.582 57.554 58.200 -0.107 0.000 0.921 10 S CB 1.589 64.755 63.200 -0.057 0.000 1.108 10 S HN -0.057 nan 8.310 nan 0.000 0.456 11 V N 4.128 124.011 119.914 -0.053 0.000 2.709 11 V HA 0.742 4.862 4.120 0.001 0.000 0.308 11 V C -0.847 175.268 176.094 0.035 0.000 1.062 11 V CA -0.606 61.690 62.300 -0.007 0.000 0.901 11 V CB 2.018 33.840 31.823 -0.001 0.000 1.003 11 V HN 0.727 nan 8.190 nan 0.000 0.425 12 V N 5.838 125.798 119.914 0.077 0.000 2.482 12 V HA 0.537 4.657 4.120 0.001 0.000 0.295 12 V C -0.605 175.561 176.094 0.119 0.000 1.026 12 V CA -0.290 62.048 62.300 0.063 0.000 0.856 12 V CB 1.798 33.624 31.823 0.005 0.000 1.001 12 V HN 0.712 nan 8.190 nan 0.000 0.424 13 I N 4.936 125.506 120.570 0.000 0.000 2.378 13 I HA 0.506 4.676 4.170 0.001 0.000 0.291 13 I C -0.513 175.440 176.117 -0.274 0.000 0.992 13 I CA -0.850 60.398 61.300 -0.085 0.000 1.154 13 I CB 2.123 40.042 38.000 -0.135 0.000 1.315 13 I HN 0.262 nan 8.210 nan 0.000 0.448 14 V N 5.210 125.042 119.914 -0.136 0.000 2.347 14 V HA 0.366 4.486 4.120 0.001 0.000 0.280 14 V C 0.018 175.980 176.094 -0.219 0.000 1.021 14 V CA -0.270 61.930 62.300 -0.167 0.000 0.847 14 V CB 1.427 33.275 31.823 0.041 0.000 0.990 14 V HN 0.782 nan 8.190 nan 0.000 0.444 15 S N 5.514 120.982 115.700 -0.386 0.000 2.503 15 S HA 0.625 5.096 4.470 0.001 0.000 0.301 15 S C -0.261 174.251 174.600 -0.146 0.000 1.087 15 S CA -0.828 57.214 58.200 -0.263 0.000 1.042 15 S CB 1.353 64.337 63.200 -0.360 0.000 1.043 15 S HN 0.803 nan 8.310 nan 0.000 0.489 16 R N 2.240 122.684 120.500 -0.093 0.000 2.539 16 R HA 0.269 4.609 4.340 0.001 0.000 0.275 16 R C 0.191 176.383 176.300 -0.180 0.000 1.077 16 R CA -0.274 55.718 56.100 -0.179 0.000 1.097 16 R CB 0.225 30.420 30.300 -0.175 0.000 1.018 16 R HN 0.922 nan 8.270 nan 0.000 0.483 17 H N 0.871 119.897 119.070 -0.073 0.000 2.767 17 H HA 0.293 4.849 4.556 0.001 0.000 0.380 17 H C 0.568 175.900 175.328 0.007 0.000 1.409 17 H CA -0.147 55.866 56.048 -0.058 0.000 1.463 17 H CB 0.016 29.690 29.762 -0.146 0.000 1.514 17 H HN 0.721 nan 8.280 nan 0.000 0.619 18 G N -0.863 108.094 108.800 0.263 0.000 2.563 18 G HA2 0.369 4.329 3.960 0.001 0.000 0.283 18 G HA3 0.369 4.329 3.960 0.001 0.000 0.283 18 G C -0.195 174.847 174.900 0.237 0.000 1.309 18 G CA -0.445 44.771 45.100 0.192 0.000 1.022 18 G HN 0.996 nan 8.290 nan 0.000 0.501 19 V N -1.028 118.979 119.914 0.155 0.000 2.557 19 V HA 0.493 4.613 4.120 0.001 0.000 0.301 19 V C 0.187 176.340 176.094 0.098 0.000 1.026 19 V CA -0.236 62.151 62.300 0.145 0.000 1.137 19 V CB -0.217 31.711 31.823 0.175 0.000 0.917 19 V HN 0.966 nan 8.190 nan 0.000 0.484 20 R N 4.538 125.039 120.500 0.003 0.000 2.750 20 R HA 0.862 5.202 4.340 0.001 0.000 0.281 20 R C -0.264 175.825 176.300 -0.352 0.000 0.972 20 R CA -0.227 55.809 56.100 -0.105 0.000 0.912 20 R CB 1.667 31.864 30.300 -0.171 0.000 1.187 20 R HN 1.149 nan 8.270 nan 0.000 0.464 21 A N 4.356 126.949 122.820 -0.379 0.000 2.524 21 A HA 0.283 4.604 4.320 0.001 0.000 0.250 21 A C -1.873 175.291 177.584 -0.700 0.000 1.078 21 A CA -1.075 50.462 52.037 -0.832 0.000 0.761 21 A CB -0.505 18.297 19.000 -0.328 0.000 1.012 21 A HN 0.689 nan 8.150 nan 0.000 0.500 22 P HA 0.093 nan 4.420 nan 0.000 0.271 22 P C 0.253 177.356 177.300 -0.327 0.000 1.233 22 P CA -0.028 62.778 63.100 -0.491 0.000 0.789 22 P CB 0.279 31.707 31.700 -0.453 0.000 0.951 23 T N 0.954 115.381 114.554 -0.212 0.000 2.748 23 T HA 0.079 4.429 4.350 0.001 0.000 0.304 23 T C 0.596 175.212 174.700 -0.141 0.000 1.041 23 T CA -0.326 61.688 62.100 -0.142 0.000 1.033 23 T CB 0.035 68.843 68.868 -0.100 0.000 0.995 23 T HN 0.260 nan 8.240 nan 0.000 0.536 24 K N 1.203 121.548 120.400 -0.092 0.000 2.489 24 K HA 0.294 4.614 4.320 0.001 0.000 0.278 24 K C 0.296 176.835 176.600 -0.102 0.000 1.000 24 K CA -0.361 55.886 56.287 -0.067 0.000 1.012 24 K CB 0.267 32.747 32.500 -0.032 0.000 0.903 24 K HN 0.683 nan 8.250 nan 0.000 0.485 25 A N 3.080 125.832 122.820 -0.114 0.000 2.524 25 A HA 0.050 4.370 4.320 0.001 0.000 0.250 25 A C 0.651 178.184 177.584 -0.086 0.000 1.078 25 A CA -0.216 51.698 52.037 -0.205 0.000 0.761 25 A CB -0.308 18.551 19.000 -0.235 0.000 1.012 25 A HN 0.769 nan 8.150 nan 0.000 0.500 26 T N 0.688 115.185 114.554 -0.095 0.000 2.766 26 T HA 0.199 4.550 4.350 0.001 0.000 0.295 26 T C 1.041 175.758 174.700 0.027 0.000 1.024 26 T CA 0.269 62.354 62.100 -0.026 0.000 1.018 26 T CB 0.560 69.411 68.868 -0.028 0.000 1.002 26 T HN 0.621 nan 8.240 nan 0.000 0.532 27 Q N -0.010 119.816 119.800 0.043 0.000 2.096 27 Q HA -0.057 4.283 4.340 0.001 0.000 0.204 27 Q C 1.945 178.002 176.000 0.096 0.000 0.982 27 Q CA 1.587 57.433 55.803 0.071 0.000 0.850 27 Q CB -0.841 27.931 28.738 0.056 0.000 0.901 27 Q HN 0.776 nan 8.270 nan 0.000 0.422 28 L N -0.704 120.567 121.223 0.081 0.000 1.989 28 L HA -0.231 4.109 4.340 0.001 0.000 0.211 28 L C 2.219 179.183 176.870 0.157 0.000 1.071 28 L CA 1.758 56.660 54.840 0.105 0.000 0.749 28 L CB -0.222 41.883 42.059 0.076 0.000 0.890 28 L HN 0.391 nan 8.230 nan 0.000 0.431 29 M N -0.903 118.773 119.600 0.127 0.000 2.195 29 M HA -0.278 4.202 4.480 0.001 0.000 0.260 29 M C 2.032 178.641 176.300 0.515 0.000 1.066 29 M CA 1.708 57.133 55.300 0.208 0.000 1.089 29 M CB -0.201 32.325 32.600 -0.124 0.000 1.377 29 M HN 0.297 nan 8.290 nan 0.000 0.411 30 Q N -0.025 120.005 119.800 0.383 0.000 2.408 30 Q HA -0.053 4.288 4.340 0.001 0.000 0.205 30 Q C 0.870 177.023 176.000 0.256 0.000 0.919 30 Q CA 1.027 57.071 55.803 0.402 0.000 0.932 30 Q CB 0.169 29.089 28.738 0.303 0.000 1.058 30 Q HN 0.358 nan 8.270 nan 0.000 0.517 31 D N -1.047 119.488 120.400 0.225 0.000 2.249 31 D HA -0.067 4.574 4.640 0.001 0.000 0.205 31 D C 1.428 177.865 176.300 0.228 0.000 0.962 31 D CA 1.044 55.150 54.000 0.177 0.000 0.860 31 D CB 0.334 41.224 40.800 0.149 0.000 0.955 31 D HN 0.281 nan 8.370 nan 0.000 0.505 32 V N -2.245 117.856 119.914 0.313 0.000 3.623 32 V HA 0.209 4.329 4.120 0.001 0.000 0.271 32 V C 0.635 176.961 176.094 0.386 0.000 1.248 32 V CA 0.331 62.893 62.300 0.437 0.000 1.156 32 V CB -0.282 31.751 31.823 0.350 0.000 0.870 32 V HN 0.008 nan 8.190 nan 0.000 0.453 33 T N 0.442 115.130 114.554 0.223 0.000 2.982 33 T HA 0.506 4.857 4.350 0.001 0.000 0.321 33 T C -2.474 172.171 174.700 -0.093 0.000 1.229 33 T CA -0.599 61.501 62.100 0.001 0.000 1.044 33 T CB 2.397 71.163 68.868 -0.170 0.000 1.184 33 T HN 0.058 nan 8.240 nan 0.000 0.477 34 P HA 0.140 nan 4.420 nan 0.000 0.224 34 P C -0.027 177.129 177.300 -0.240 0.000 1.157 34 P CA 0.354 63.352 63.100 -0.172 0.000 0.799 34 P CB 0.269 31.865 31.700 -0.173 0.000 0.809 35 D N 0.518 120.628 120.400 -0.484 0.000 2.360 35 D HA 0.302 4.942 4.640 0.001 0.000 0.242 35 D C 0.189 176.315 176.300 -0.291 0.000 1.184 35 D CA 0.116 53.771 54.000 -0.575 0.000 0.930 35 D CB 1.210 41.155 40.800 -1.426 0.000 1.161 35 D HN 0.026 nan 8.370 nan 0.000 0.447 36 A N 1.257 124.068 122.820 -0.015 0.000 2.301 36 A HA 0.339 4.660 4.320 0.001 0.000 0.312 36 A C -0.963 176.833 177.584 0.353 0.000 1.182 36 A CA -0.666 51.476 52.037 0.175 0.000 0.826 36 A CB 0.283 19.385 19.000 0.171 0.000 1.134 36 A HN 0.484 nan 8.150 nan 0.000 0.501 37 W N 3.074 124.627 121.300 0.423 0.000 2.253 37 W HA 0.389 5.049 4.660 0.001 0.000 0.322 37 W C -1.583 175.064 176.519 0.213 0.000 1.342 37 W CA -1.111 56.439 57.345 0.341 0.000 1.218 37 W CB 0.146 29.769 29.460 0.272 0.000 1.205 37 W HN 0.503 nan 8.180 nan 0.000 0.551 38 P HA 0.068 nan 4.420 nan 0.000 0.271 38 P C -0.053 177.393 177.300 0.243 0.000 1.216 38 P CA -0.134 63.068 63.100 0.171 0.000 0.771 38 P CB 0.737 32.435 31.700 -0.003 0.000 0.864 39 T N 0.126 114.789 114.554 0.181 0.000 2.904 39 T HA 0.336 4.686 4.350 0.001 0.000 0.290 39 T C -0.419 174.385 174.700 0.173 0.000 1.018 39 T CA -0.565 61.680 62.100 0.243 0.000 1.075 39 T CB 0.535 69.499 68.868 0.160 0.000 0.986 39 T HN 0.313 nan 8.240 nan 0.000 0.523 40 W N 1.666 122.988 121.300 0.037 0.000 2.516 40 W HA 0.435 5.096 4.660 0.001 0.000 0.343 40 W C -1.081 175.444 176.519 0.011 0.000 1.094 40 W CA -2.130 55.231 57.345 0.026 0.000 1.250 40 W CB 0.505 29.980 29.460 0.025 0.000 1.308 40 W HN 0.531 nan 8.180 nan 0.000 0.588 41 P HA -0.133 nan 4.420 nan 0.000 0.218 41 P C 0.296 177.661 177.300 0.108 0.000 1.148 41 P CA 1.463 64.627 63.100 0.107 0.000 0.822 41 P CB 0.264 32.008 31.700 0.073 0.000 0.784 42 V N -4.016 115.992 119.914 0.157 0.000 3.166 42 V HA 0.473 4.593 4.120 0.001 0.000 0.317 42 V C 0.160 176.259 176.094 0.008 0.000 1.136 42 V CA -1.810 60.538 62.300 0.081 0.000 1.035 42 V CB 1.258 33.158 31.823 0.129 0.000 1.110 42 V HN -0.220 nan 8.190 nan 0.000 0.450 43 K N 1.060 121.368 120.400 -0.153 0.000 2.559 43 K HA 0.170 4.490 4.320 0.001 0.000 0.279 43 K C -0.893 175.592 176.600 -0.192 0.000 0.967 43 K CA -0.087 55.996 56.287 -0.340 0.000 1.000 43 K CB -0.022 31.902 32.500 -0.959 0.000 0.890 43 K HN 0.418 nan 8.250 nan 0.000 0.501 44 L N 1.605 122.723 121.223 -0.175 0.000 2.367 44 L HA 0.167 4.507 4.340 0.001 0.000 0.275 44 L C 1.421 178.258 176.870 -0.054 0.000 1.129 44 L CA 1.199 55.964 54.840 -0.126 0.000 0.839 44 L CB 0.654 42.645 42.059 -0.113 0.000 1.133 44 L HN 0.995 nan 8.230 nan 0.000 0.453 45 G N 0.635 109.419 108.800 -0.026 0.000 2.232 45 G HA2 -0.229 3.731 3.960 0.001 0.000 0.226 45 G HA3 -0.229 3.731 3.960 0.001 0.000 0.226 45 G C -0.182 174.844 174.900 0.209 0.000 0.996 45 G CA -0.507 44.639 45.100 0.075 0.000 0.626 45 G HN 0.392 nan 8.290 nan 0.000 0.509 46 W N 0.466 121.689 121.300 -0.127 0.000 2.359 46 W HA 0.805 5.465 4.660 0.001 0.000 0.344 46 W C 0.470 176.926 176.519 -0.104 0.000 1.170 46 W CA -1.501 55.782 57.345 -0.104 0.000 1.296 46 W CB 0.423 29.849 29.460 -0.057 0.000 1.197 46 W HN 0.171 nan 8.180 nan 0.000 0.618 47 L N 2.469 123.749 121.223 0.096 0.000 2.453 47 L HA 0.221 4.562 4.340 0.001 0.000 0.272 47 L C 0.965 177.911 176.870 0.127 0.000 1.182 47 L CA 0.391 55.261 54.840 0.050 0.000 0.858 47 L CB 0.133 42.190 42.059 -0.004 0.000 1.120 47 L HN 0.484 nan 8.230 nan 0.000 0.474 48 T N 2.892 117.524 114.554 0.130 0.000 2.913 48 T HA 0.396 4.746 4.350 0.001 0.000 0.287 48 T C -1.650 173.113 174.700 0.105 0.000 1.008 48 T CA -1.444 60.752 62.100 0.160 0.000 1.067 48 T CB 1.117 70.131 68.868 0.243 0.000 0.996 48 T HN 0.597 nan 8.240 nan 0.000 0.513 49 P HA -0.166 nan 4.420 nan 0.000 0.218 49 P C 1.399 178.705 177.300 0.010 0.000 1.148 49 P CA 0.933 64.057 63.100 0.042 0.000 0.822 49 P CB 0.171 31.894 31.700 0.038 0.000 0.784 50 R N 0.717 121.234 120.500 0.028 0.000 2.092 50 R HA -0.021 4.319 4.340 0.001 0.000 0.231 50 R C 2.536 178.829 176.300 -0.010 0.000 1.119 50 R CA 1.925 58.023 56.100 -0.004 0.000 0.970 50 R CB -1.683 28.634 30.300 0.027 0.000 0.864 50 R HN 0.156 nan 8.270 nan 0.000 0.440 51 G N -0.831 107.997 108.800 0.047 0.000 2.418 51 G HA2 -0.207 3.753 3.960 0.001 0.000 0.217 51 G HA3 -0.207 3.753 3.960 0.001 0.000 0.217 51 G C 1.525 176.431 174.900 0.010 0.000 1.158 51 G CA 0.685 45.817 45.100 0.053 0.000 0.771 51 G HN 0.514 nan 8.290 nan 0.000 0.545 52 G N 0.687 109.485 108.800 -0.004 0.000 2.418 52 G HA2 -0.120 3.840 3.960 0.001 0.000 0.217 52 G HA3 -0.120 3.840 3.960 0.001 0.000 0.217 52 G C 1.624 176.462 174.900 -0.104 0.000 1.158 52 G CA 1.072 46.155 45.100 -0.028 0.000 0.771 52 G HN 0.541 nan 8.290 nan 0.000 0.545 53 E N 0.228 120.321 120.200 -0.178 0.000 2.077 53 E HA -0.057 4.294 4.350 0.001 0.000 0.193 53 E C 2.560 178.776 176.600 -0.640 0.000 0.989 53 E CA 0.536 56.696 56.400 -0.399 0.000 0.800 53 E CB -0.222 29.227 29.700 -0.417 0.000 0.746 53 E HN 0.391 nan 8.360 nan 0.000 0.452 54 L N 0.842 121.837 121.223 -0.380 0.000 2.046 54 L HA -0.199 4.141 4.340 0.001 0.000 0.208 54 L C 2.458 179.299 176.870 -0.049 0.000 1.077 54 L CA 0.661 55.367 54.840 -0.222 0.000 0.747 54 L CB -0.363 41.669 42.059 -0.045 0.000 0.896 54 L HN 0.191 nan 8.230 nan 0.000 0.432 55 I N 0.221 120.789 120.570 -0.004 0.000 2.252 55 I HA -0.236 3.935 4.170 0.001 0.000 0.245 55 I C 2.869 179.042 176.117 0.093 0.000 1.102 55 I CA 1.528 62.893 61.300 0.108 0.000 1.385 55 I CB -1.498 36.579 38.000 0.128 0.000 1.064 55 I HN 0.183 nan 8.210 nan 0.000 0.414 56 A N 0.492 123.299 122.820 -0.021 0.000 1.908 56 A HA -0.250 4.070 4.320 0.001 0.000 0.218 56 A C 2.217 179.868 177.584 0.111 0.000 1.181 56 A CA 1.518 53.539 52.037 -0.027 0.000 0.627 56 A CB -0.962 17.986 19.000 -0.086 0.000 0.818 56 A HN 0.341 nan 8.150 nan 0.000 0.445 57 Y N -0.098 120.218 120.300 0.026 0.000 2.128 57 Y HA -0.164 4.386 4.550 0.001 0.000 0.284 57 Y C 2.268 178.242 175.900 0.124 0.000 1.154 57 Y CA 0.847 58.982 58.100 0.059 0.000 1.149 57 Y CB -1.123 37.359 38.460 0.036 0.000 0.976 57 Y HN 0.214 nan 8.280 nan 0.000 0.505 58 L N -1.016 120.387 121.223 0.301 0.000 2.083 58 L HA -0.172 4.169 4.340 0.001 0.000 0.209 58 L C 2.665 179.679 176.870 0.239 0.000 1.083 58 L CA 1.322 56.346 54.840 0.307 0.000 0.752 58 L CB -1.084 41.180 42.059 0.341 0.000 0.899 58 L HN 0.275 nan 8.230 nan 0.000 0.433 59 G N -1.292 107.491 108.800 -0.028 0.000 2.418 59 G HA2 -0.348 3.612 3.960 0.001 0.000 0.217 59 G HA3 -0.348 3.612 3.960 0.001 0.000 0.217 59 G C 1.336 176.055 174.900 -0.301 0.000 1.158 59 G CA 1.047 45.734 45.100 -0.689 0.000 0.771 59 G HN 0.403 nan 8.290 nan 0.000 0.545 60 H N -0.664 118.322 119.070 -0.139 0.000 2.290 60 H HA -0.181 4.375 4.556 0.001 0.000 0.298 60 H C 2.149 177.451 175.328 -0.043 0.000 1.087 60 H CA 1.993 57.997 56.048 -0.074 0.000 1.291 60 H CB -0.530 29.238 29.762 0.011 0.000 1.369 60 H HN 0.366 nan 8.280 nan 0.000 0.492 61 Y N 0.929 121.203 120.300 -0.044 0.000 2.128 61 Y HA -0.257 4.293 4.550 0.001 0.000 0.284 61 Y C 2.395 178.244 175.900 -0.085 0.000 1.154 61 Y CA 2.045 60.096 58.100 -0.083 0.000 1.149 61 Y CB -0.314 38.149 38.460 0.006 0.000 0.976 61 Y HN 0.265 nan 8.280 nan 0.000 0.505 62 Q N 0.175 119.895 119.800 -0.132 0.000 2.135 62 Q HA -0.222 4.118 4.340 0.001 0.000 0.204 62 Q C 2.345 178.200 176.000 -0.242 0.000 0.981 62 Q CA 1.719 57.430 55.803 -0.154 0.000 0.856 62 Q CB -0.449 28.407 28.738 0.197 0.000 0.902 62 Q HN 0.365 nan 8.270 nan 0.000 0.425 63 R N 1.195 121.537 120.500 -0.264 0.000 2.073 63 R HA -0.113 4.228 4.340 0.001 0.000 0.234 63 R C 2.064 178.197 176.300 -0.279 0.000 1.134 63 R CA 1.795 57.749 56.100 -0.243 0.000 0.952 63 R CB -0.478 29.673 30.300 -0.248 0.000 0.850 63 R HN 0.291 nan 8.270 nan 0.000 0.433 64 Q N -0.444 119.127 119.800 -0.382 0.000 2.096 64 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 64 Q C 2.153 177.956 176.000 -0.328 0.000 0.982 64 Q CA 1.532 57.126 55.803 -0.348 0.000 0.850 64 Q CB -0.196 28.313 28.738 -0.381 0.000 0.901 64 Q HN 0.162 nan 8.270 nan 0.000 0.422 65 R N 0.483 120.691 120.500 -0.485 0.000 2.081 65 R HA -0.114 4.226 4.340 0.001 0.000 0.235 65 R C 1.947 178.127 176.300 -0.200 0.000 1.131 65 R CA 1.104 56.967 56.100 -0.395 0.000 0.960 65 R CB -0.265 29.677 30.300 -0.597 0.000 0.856 65 R HN 0.259 nan 8.270 nan 0.000 0.436 66 L N 0.500 121.615 121.223 -0.180 0.000 2.240 66 L HA -0.056 4.284 4.340 0.001 0.000 0.211 66 L C 2.497 179.301 176.870 -0.109 0.000 1.106 66 L CA 0.763 55.532 54.840 -0.120 0.000 0.793 66 L CB -1.040 40.965 42.059 -0.090 0.000 0.927 66 L HN -0.006 nan 8.230 nan 0.000 0.446 67 V N 0.465 120.305 119.914 -0.124 0.000 2.307 67 V HA -0.220 3.901 4.120 0.001 0.000 0.245 67 V C 2.782 178.828 176.094 -0.080 0.000 1.045 67 V CA 1.593 63.833 62.300 -0.099 0.000 1.024 67 V CB -0.766 30.990 31.823 -0.111 0.000 0.651 67 V HN 0.451 nan 8.190 nan 0.000 0.449 68 A N -0.690 122.078 122.820 -0.087 0.000 2.019 68 A HA -0.228 4.092 4.320 0.001 0.000 0.219 68 A C 1.845 179.412 177.584 -0.028 0.000 1.164 68 A CA 1.846 53.850 52.037 -0.054 0.000 0.644 68 A CB -0.433 18.534 19.000 -0.055 0.000 0.805 68 A HN 0.562 nan 8.150 nan 0.000 0.449 69 D N -1.308 119.067 120.400 -0.041 0.000 2.340 69 D HA 0.211 4.852 4.640 0.001 0.000 0.220 69 D C 1.398 177.664 176.300 -0.056 0.000 1.039 69 D CA 1.024 55.006 54.000 -0.030 0.000 0.866 69 D CB 0.082 40.839 40.800 -0.072 0.000 0.913 69 D HN 0.566 nan 8.370 nan 0.000 0.523 70 G N 1.300 110.067 108.800 -0.055 0.000 2.155 70 G HA2 -0.313 3.647 3.960 0.001 0.000 0.257 70 G HA3 -0.313 3.647 3.960 0.001 0.000 0.257 70 G C 0.890 175.750 174.900 -0.066 0.000 0.983 70 G CA 0.652 45.721 45.100 -0.051 0.000 0.676 70 G HN 0.378 nan 8.290 nan 0.000 0.528 71 L N -1.297 119.874 121.223 -0.088 0.000 2.202 71 L HA 0.604 4.945 4.340 0.001 0.000 0.205 71 L C 0.945 177.777 176.870 -0.064 0.000 1.083 71 L CA 1.034 55.821 54.840 -0.090 0.000 0.790 71 L CB 0.052 42.037 42.059 -0.123 0.000 0.942 71 L HN 0.216 nan 8.230 nan 0.000 0.452 72 L N -0.532 120.653 121.223 -0.064 0.000 2.333 72 L HA 0.673 5.013 4.340 0.001 0.000 0.269 72 L C 0.003 176.841 176.870 -0.053 0.000 1.010 72 L CA -0.668 54.140 54.840 -0.053 0.000 0.818 72 L CB 1.255 43.279 42.059 -0.059 0.000 1.306 72 L HN 0.013 nan 8.230 nan 0.000 0.430 73 A N 1.767 124.561 122.820 -0.044 0.000 2.340 73 A HA 0.310 4.630 4.320 0.001 0.000 0.268 73 A C 1.003 178.558 177.584 -0.048 0.000 1.100 73 A CA -0.264 51.749 52.037 -0.040 0.000 0.803 73 A CB 0.167 19.148 19.000 -0.030 0.000 1.043 73 A HN 0.833 nan 8.150 nan 0.000 0.488 74 K N -0.133 120.239 120.400 -0.047 0.000 2.365 74 K HA -0.028 4.293 4.320 0.001 0.000 0.199 74 K C -0.073 176.502 176.600 -0.043 0.000 1.045 74 K CA 1.136 57.391 56.287 -0.053 0.000 0.962 74 K CB -0.030 32.442 32.500 -0.048 0.000 0.759 74 K HN 0.497 nan 8.250 nan 0.000 0.469 75 K N -0.707 119.672 120.400 -0.034 0.000 2.385 75 K HA 0.478 4.799 4.320 0.001 0.000 0.248 75 K C -0.854 175.732 176.600 -0.024 0.000 0.955 75 K CA 0.154 56.425 56.287 -0.026 0.000 0.816 75 K CB 2.028 34.516 32.500 -0.020 0.000 1.250 75 K HN 0.241 nan 8.250 nan 0.000 0.434 76 G N 0.487 109.275 108.800 -0.020 0.000 2.860 76 G HA2 -0.224 3.737 3.960 0.001 0.000 0.553 76 G HA3 -0.224 3.737 3.960 0.001 0.000 0.553 76 G C -0.332 174.557 174.900 -0.019 0.000 1.439 76 G CA -0.616 44.474 45.100 -0.017 0.000 0.879 76 G HN 0.722 nan 8.290 nan 0.000 0.545 77 c N 2.880 121.471 118.600 -0.015 0.000 2.601 77 c HA 0.553 5.124 4.570 0.001 0.000 0.409 77 c C -0.581 173.503 174.090 -0.011 0.000 1.293 77 c CA -0.395 55.925 56.329 -0.014 0.000 2.101 77 c CB 0.429 42.934 42.510 -0.009 0.000 2.639 77 c HN 0.821 nan 8.230 nan 0.000 0.592 78 P HA 0.013 nan 4.420 nan 0.000 0.266 78 P C -0.504 176.797 177.300 0.002 0.000 1.193 78 P CA 0.317 63.414 63.100 -0.005 0.000 0.770 78 P CB 0.447 32.147 31.700 0.001 0.000 0.836 79 Q N 0.435 120.236 119.800 0.002 0.000 2.540 79 Q HA 0.081 4.422 4.340 0.001 0.000 0.256 79 Q C 0.653 176.661 176.000 0.013 0.000 1.084 79 Q CA 0.096 55.902 55.803 0.005 0.000 0.956 79 Q CB -0.087 28.652 28.738 0.002 0.000 1.303 79 Q HN 0.422 nan 8.270 nan 0.000 0.509 80 S N -0.023 115.686 115.700 0.015 0.000 2.537 80 S HA 0.283 4.753 4.470 0.001 0.000 0.286 80 S C 0.779 175.394 174.600 0.025 0.000 1.299 80 S CA 0.704 58.917 58.200 0.023 0.000 1.067 80 S CB -0.371 62.841 63.200 0.020 0.000 0.864 80 S HN 0.870 nan 8.310 nan 0.000 0.494 81 G N 3.527 112.348 108.800 0.035 0.000 2.246 81 G HA2 -0.273 3.688 3.960 0.001 0.000 0.273 81 G HA3 -0.273 3.688 3.960 0.001 0.000 0.273 81 G C 0.303 175.220 174.900 0.028 0.000 1.055 81 G CA 0.827 45.947 45.100 0.033 0.000 0.851 81 G HN 0.777 nan 8.290 nan 0.000 0.500 82 Q N -1.650 118.169 119.800 0.031 0.000 2.462 82 Q HA 0.431 4.772 4.340 0.001 0.000 0.224 82 Q C 0.824 176.847 176.000 0.038 0.000 0.911 82 Q CA 0.687 56.505 55.803 0.024 0.000 0.925 82 Q CB 0.680 29.427 28.738 0.015 0.000 1.063 82 Q HN 0.472 nan 8.270 nan 0.000 0.572 83 V N 1.236 121.183 119.914 0.056 0.000 2.513 83 V HA 0.772 4.893 4.120 0.001 0.000 0.299 83 V C -0.815 175.346 176.094 0.112 0.000 1.035 83 V CA -0.497 61.854 62.300 0.086 0.000 0.889 83 V CB 1.484 33.359 31.823 0.087 0.000 0.988 83 V HN 0.271 nan 8.190 nan 0.000 0.440 84 A N 5.820 128.720 122.820 0.134 0.000 2.398 84 A HA 0.897 5.217 4.320 0.001 0.000 0.301 84 A C -1.091 176.618 177.584 0.208 0.000 1.041 84 A CA -0.457 51.680 52.037 0.167 0.000 0.711 84 A CB 1.128 20.183 19.000 0.091 0.000 1.240 84 A HN 0.724 nan 8.150 nan 0.000 0.420 85 I N 3.038 123.770 120.570 0.271 0.000 2.436 85 I HA 0.480 4.650 4.170 0.001 0.000 0.289 85 I C -0.775 175.496 176.117 0.257 0.000 1.010 85 I CA -0.341 61.117 61.300 0.262 0.000 1.098 85 I CB 1.744 39.865 38.000 0.202 0.000 1.266 85 I HN 0.518 nan 8.210 nan 0.000 0.434 86 I N 4.735 125.410 120.570 0.175 0.000 2.646 86 I HA 0.797 4.968 4.170 0.001 0.000 0.299 86 I C -0.311 175.889 176.117 0.138 0.000 1.036 86 I CA -0.533 60.822 61.300 0.092 0.000 1.074 86 I CB 2.280 40.171 38.000 -0.181 0.000 1.258 86 I HN 0.671 nan 8.210 nan 0.000 0.430 87 A N 3.520 126.436 122.820 0.160 0.000 2.572 87 A HA 0.508 4.828 4.320 0.001 0.000 0.295 87 A C -1.230 176.342 177.584 -0.020 0.000 1.072 87 A CA -0.597 51.482 52.037 0.070 0.000 0.691 87 A CB 1.729 20.743 19.000 0.024 0.000 1.291 87 A HN 0.629 nan 8.150 nan 0.000 0.404 88 D N -0.059 120.015 120.400 -0.542 0.000 2.363 88 D HA 0.180 4.821 4.640 0.001 0.000 0.240 88 D C 1.702 177.885 176.300 -0.195 0.000 1.236 88 D CA 0.628 54.211 54.000 -0.696 0.000 0.927 88 D CB 1.388 41.587 40.800 -1.002 0.000 1.150 88 D HN 0.762 nan 8.370 nan 0.000 0.458 89 V N -0.971 118.897 119.914 -0.077 0.000 2.970 89 V HA -0.005 4.116 4.120 0.001 0.000 0.260 89 V C 0.500 176.542 176.094 -0.086 0.000 1.100 89 V CA 0.650 62.927 62.300 -0.038 0.000 1.122 89 V CB -0.490 31.336 31.823 0.004 0.000 0.721 89 V HN 0.346 nan 8.190 nan 0.000 0.483 90 D N 1.585 121.923 120.400 -0.104 0.000 2.419 90 D HA -0.040 4.601 4.640 0.001 0.000 0.236 90 D C 1.298 177.458 176.300 -0.233 0.000 1.165 90 D CA 0.451 54.368 54.000 -0.138 0.000 0.882 90 D CB 0.873 41.620 40.800 -0.090 0.000 1.201 90 D HN 0.376 nan 8.370 nan 0.000 0.443 91 E N 2.012 122.000 120.200 -0.354 0.000 2.058 91 E HA -0.226 4.125 4.350 0.001 0.000 0.194 91 E C 1.920 178.279 176.600 -0.401 0.000 0.997 91 E CA 1.090 57.173 56.400 -0.529 0.000 0.801 91 E CB 0.100 29.133 29.700 -1.111 0.000 0.746 91 E HN 0.517 nan 8.360 nan 0.000 0.450 92 R N 0.181 120.461 120.500 -0.366 0.000 2.127 92 R HA -0.100 4.240 4.340 0.001 0.000 0.238 92 R C 2.369 178.546 176.300 -0.206 0.000 1.134 92 R CA 1.997 57.913 56.100 -0.306 0.000 0.975 92 R CB -1.071 28.941 30.300 -0.480 0.000 0.865 92 R HN 0.181 nan 8.270 nan 0.000 0.447 93 T N -1.003 113.422 114.554 -0.216 0.000 2.937 93 T HA -0.033 4.318 4.350 0.001 0.000 0.260 93 T C 2.051 176.695 174.700 -0.093 0.000 1.051 93 T CA 0.699 62.705 62.100 -0.156 0.000 1.141 93 T CB -0.203 68.484 68.868 -0.301 0.000 0.879 93 T HN 0.359 nan 8.240 nan 0.000 0.459 94 R N 1.303 121.729 120.500 -0.124 0.000 2.073 94 R HA -0.051 4.289 4.340 0.001 0.000 0.234 94 R C 2.252 178.513 176.300 -0.066 0.000 1.134 94 R CA 1.153 57.203 56.100 -0.084 0.000 0.952 94 R CB -0.140 30.090 30.300 -0.117 0.000 0.850 94 R HN 0.116 nan 8.270 nan 0.000 0.433 95 K N -0.106 120.234 120.400 -0.101 0.000 2.211 95 K HA -0.044 4.276 4.320 0.001 0.000 0.203 95 K C 1.955 178.547 176.600 -0.012 0.000 1.050 95 K CA 1.547 57.792 56.287 -0.069 0.000 0.945 95 K CB -0.216 32.225 32.500 -0.098 0.000 0.732 95 K HN 0.268 nan 8.250 nan 0.000 0.451 96 T N 0.112 114.676 114.554 0.017 0.000 2.904 96 T HA -0.067 4.284 4.350 0.001 0.000 0.267 96 T C 1.819 176.595 174.700 0.126 0.000 1.059 96 T CA 1.416 63.572 62.100 0.094 0.000 1.137 96 T CB -0.203 68.751 68.868 0.145 0.000 0.879 96 T HN 0.427 nan 8.240 nan 0.000 0.467 97 G N 1.299 110.168 108.800 0.115 0.000 2.402 97 G HA2 -0.159 3.802 3.960 0.001 0.000 0.216 97 G HA3 -0.159 3.802 3.960 0.001 0.000 0.216 97 G C 1.443 176.358 174.900 0.026 0.000 1.162 97 G CA 0.549 45.717 45.100 0.113 0.000 0.777 97 G HN 0.500 nan 8.290 nan 0.000 0.539 98 E N 0.575 120.779 120.200 0.007 0.000 2.072 98 E HA 0.002 4.353 4.350 0.001 0.000 0.191 98 E C 2.915 179.501 176.600 -0.022 0.000 0.985 98 E CA 0.738 57.128 56.400 -0.017 0.000 0.801 98 E CB -0.173 29.511 29.700 -0.027 0.000 0.750 98 E HN 0.399 nan 8.360 nan 0.000 0.452 99 A N 0.979 123.794 122.820 -0.007 0.000 1.902 99 A HA -0.180 4.141 4.320 0.001 0.000 0.217 99 A C 1.979 179.543 177.584 -0.033 0.000 1.181 99 A CA 1.032 53.059 52.037 -0.016 0.000 0.623 99 A CB -0.700 18.302 19.000 0.003 0.000 0.818 99 A HN 0.335 nan 8.150 nan 0.000 0.443 100 F N 0.829 120.654 119.950 -0.208 0.000 2.186 100 F HA -0.016 4.512 4.527 0.001 0.000 0.299 100 F C 2.465 178.093 175.800 -0.288 0.000 1.090 100 F CA 1.182 58.973 58.000 -0.348 0.000 1.307 100 F CB -0.200 38.262 39.000 -0.898 0.000 1.019 100 F HN 0.246 nan 8.300 nan 0.000 0.489 101 A N 0.324 123.075 122.820 -0.115 0.000 1.930 101 A HA -0.040 4.281 4.320 0.001 0.000 0.217 101 A C 2.357 179.850 177.584 -0.153 0.000 1.175 101 A CA 1.520 53.484 52.037 -0.122 0.000 0.627 101 A CB -1.469 17.507 19.000 -0.039 0.000 0.815 101 A HN 0.469 nan 8.150 nan 0.000 0.443 102 A N -0.626 122.123 122.820 -0.118 0.000 1.969 102 A HA 0.163 4.484 4.320 0.001 0.000 0.218 102 A C 2.298 179.819 177.584 -0.104 0.000 1.169 102 A CA 1.819 53.802 52.037 -0.090 0.000 0.635 102 A CB -1.067 17.896 19.000 -0.062 0.000 0.810 102 A HN 0.661 nan 8.150 nan 0.000 0.445 103 G N -0.604 108.099 108.800 -0.161 0.000 2.426 103 G HA2 0.021 3.982 3.960 0.001 0.000 0.214 103 G HA3 0.021 3.982 3.960 0.001 0.000 0.214 103 G C 1.472 176.271 174.900 -0.167 0.000 1.156 103 G CA 0.905 45.932 45.100 -0.121 0.000 0.802 103 G HN 0.458 nan 8.290 nan 0.000 0.534 104 L N 0.453 121.447 121.223 -0.382 0.000 2.109 104 L HA 0.444 4.784 4.340 0.001 0.000 0.207 104 L C 1.344 178.103 176.870 -0.184 0.000 1.086 104 L CA 1.728 56.346 54.840 -0.369 0.000 0.760 104 L CB 0.119 41.848 42.059 -0.550 0.000 0.910 104 L HN 0.175 nan 8.230 nan 0.000 0.437 105 A N 0.135 122.871 122.820 -0.140 0.000 3.158 105 A HA 0.475 4.796 4.320 0.001 0.000 0.302 105 A C -2.666 174.884 177.584 -0.057 0.000 1.162 105 A CA -0.938 51.053 52.037 -0.078 0.000 0.824 105 A CB -0.294 18.667 19.000 -0.064 0.000 1.322 105 A HN 0.082 nan 8.150 nan 0.000 0.510 106 P HA 0.122 nan 4.420 nan 0.000 0.266 106 P C -0.295 176.990 177.300 -0.025 0.000 1.193 106 P CA 1.008 64.089 63.100 -0.031 0.000 0.770 106 P CB 0.678 32.368 31.700 -0.017 0.000 0.836 107 D N -1.962 118.424 120.400 -0.023 0.000 2.758 107 D HA -0.165 4.476 4.640 0.001 0.000 0.191 107 D C 0.075 176.364 176.300 -0.017 0.000 1.036 107 D CA 0.992 54.982 54.000 -0.018 0.000 1.030 107 D CB -2.182 38.610 40.800 -0.014 0.000 1.109 107 D HN 0.394 nan 8.370 nan 0.000 0.430 108 c N 0.905 119.492 118.600 -0.021 0.000 2.595 108 c HA 0.625 5.195 4.570 0.001 0.000 0.384 108 c C 1.423 175.502 174.090 -0.017 0.000 1.289 108 c CA -0.086 56.233 56.329 -0.017 0.000 2.372 108 c CB 0.880 43.378 42.510 -0.020 0.000 2.593 108 c HN 0.482 nan 8.230 nan 0.000 0.639 109 A N 2.647 125.461 122.820 -0.011 0.000 3.000 109 A HA 0.528 4.848 4.320 0.001 0.000 0.315 109 A C -0.117 177.461 177.584 -0.010 0.000 1.434 109 A CA -0.084 51.946 52.037 -0.012 0.000 1.108 109 A CB -0.549 18.447 19.000 -0.006 0.000 1.171 109 A HN 0.801 nan 8.150 nan 0.000 0.524 110 I N 2.333 122.893 120.570 -0.016 0.000 2.291 110 I HA 0.112 4.282 4.170 0.001 0.000 0.290 110 I C 0.396 176.485 176.117 -0.047 0.000 1.050 110 I CA -0.187 61.108 61.300 -0.009 0.000 1.245 110 I CB 1.232 39.235 38.000 0.006 0.000 1.405 110 I HN 0.352 nan 8.210 nan 0.000 0.478 111 T N 5.573 120.074 114.554 -0.089 0.000 2.932 111 T HA 0.125 4.475 4.350 0.001 0.000 0.312 111 T C 0.153 174.637 174.700 -0.360 0.000 1.071 111 T CA -0.136 61.819 62.100 -0.242 0.000 1.128 111 T CB 1.090 69.746 68.868 -0.353 0.000 0.984 111 T HN 0.224 nan 8.240 nan 0.000 0.549 112 V N 5.102 124.832 119.914 -0.307 0.000 2.313 112 V HA 0.215 4.336 4.120 0.001 0.000 0.278 112 V C 0.075 176.056 176.094 -0.189 0.000 1.017 112 V CA -0.850 61.343 62.300 -0.178 0.000 0.823 112 V CB 0.393 32.184 31.823 -0.052 0.000 1.010 112 V HN 0.833 nan 8.190 nan 0.000 0.443 113 H N 3.293 122.430 119.070 0.112 0.000 2.580 113 H HA 0.545 5.101 4.556 0.001 0.000 0.322 113 H C 0.443 175.928 175.328 0.261 0.000 1.082 113 H CA -0.035 56.114 56.048 0.168 0.000 1.383 113 H CB 1.810 31.687 29.762 0.192 0.000 1.450 113 H HN 0.703 nan 8.280 nan 0.000 0.505 114 T N -0.624 114.156 114.554 0.377 0.000 2.742 114 T HA 0.204 4.554 4.350 0.001 0.000 0.282 114 T C -0.069 174.791 174.700 0.267 0.000 1.025 114 T CA -1.213 61.120 62.100 0.388 0.000 1.020 114 T CB 1.959 70.934 68.868 0.180 0.000 1.317 114 T HN 0.602 nan 8.240 nan 0.000 0.538 115 Q N 0.334 120.223 119.800 0.148 0.000 2.311 115 Q HA 0.188 4.528 4.340 0.001 0.000 0.272 115 Q C 0.768 176.750 176.000 -0.029 0.000 1.012 115 Q CA 0.036 55.781 55.803 -0.097 0.000 0.891 115 Q CB 0.399 29.122 28.738 -0.025 0.000 1.201 115 Q HN 0.753 nan 8.270 nan 0.000 0.391 116 T N 2.750 117.266 114.554 -0.062 0.000 2.649 116 T HA -0.220 4.130 4.350 0.001 0.000 0.268 116 T C 0.200 174.893 174.700 -0.010 0.000 1.036 116 T CA 1.908 63.994 62.100 -0.022 0.000 1.157 116 T CB -0.207 68.641 68.868 -0.033 0.000 0.861 116 T HN 0.724 nan 8.240 nan 0.000 0.445 117 D N 0.786 121.176 120.400 -0.018 0.000 2.393 117 D HA 0.198 4.838 4.640 0.001 0.000 0.232 117 D C 0.871 177.172 176.300 0.002 0.000 1.192 117 D CA 0.053 54.049 54.000 -0.007 0.000 0.882 117 D CB 0.839 41.633 40.800 -0.010 0.000 1.038 117 D HN -0.028 nan 8.370 nan 0.000 0.499 118 T N 1.241 115.797 114.554 0.003 0.000 2.951 118 T HA -0.131 4.219 4.350 0.001 0.000 0.268 118 T C 1.855 176.555 174.700 0.001 0.000 1.073 118 T CA 1.435 63.536 62.100 0.001 0.000 1.134 118 T CB -0.041 68.822 68.868 -0.009 0.000 0.884 118 T HN 0.536 nan 8.240 nan 0.000 0.479 119 S N 0.392 116.094 115.700 0.004 0.000 2.515 119 S HA 0.109 4.579 4.470 0.001 0.000 0.231 119 S C 1.047 175.652 174.600 0.008 0.000 0.987 119 S CA -0.049 58.155 58.200 0.007 0.000 0.936 119 S CB -0.057 63.148 63.200 0.008 0.000 0.766 119 S HN 0.264 nan 8.310 nan 0.000 0.528 120 S N 1.872 117.577 115.700 0.009 0.000 2.537 120 S HA 0.670 5.141 4.470 0.001 0.000 0.301 120 S C -3.004 171.610 174.600 0.024 0.000 1.092 120 S CA -1.842 56.365 58.200 0.013 0.000 1.048 120 S CB 0.994 64.199 63.200 0.008 0.000 1.053 120 S HN 0.074 nan 8.310 nan 0.000 0.501 121 P HA 0.189 nan 4.420 nan 0.000 0.272 121 P C -1.285 176.064 177.300 0.081 0.000 1.230 121 P CA -0.196 62.934 63.100 0.050 0.000 0.788 121 P CB 0.358 32.081 31.700 0.039 0.000 0.949 122 D N 2.472 122.962 120.400 0.149 0.000 2.359 122 D HA 0.117 4.758 4.640 0.001 0.000 0.230 122 D C -1.447 174.985 176.300 0.220 0.000 1.118 122 D CA -2.444 51.688 54.000 0.221 0.000 0.844 122 D CB 0.750 41.798 40.800 0.413 0.000 1.059 122 D HN 0.151 nan 8.370 nan 0.000 0.493 123 P HA -0.167 nan 4.420 nan 0.000 0.223 123 P C 1.638 178.972 177.300 0.057 0.000 1.144 123 P CA 0.268 63.413 63.100 0.075 0.000 0.783 123 P CB 0.446 32.165 31.700 0.031 0.000 0.771 124 L N -0.744 120.517 121.223 0.064 0.000 2.079 124 L HA -0.066 4.275 4.340 0.001 0.000 0.210 124 L C 1.873 178.571 176.870 -0.286 0.000 1.081 124 L CA 1.885 56.643 54.840 -0.137 0.000 0.752 124 L CB -1.313 40.620 42.059 -0.211 0.000 0.896 124 L HN -0.211 nan 8.230 nan 0.000 0.433 125 F N -0.391 119.604 119.950 0.075 0.000 2.732 125 F HA 0.278 4.806 4.527 0.001 0.000 0.303 125 F C 0.557 176.373 175.800 0.026 0.000 1.110 125 F CA -0.119 57.923 58.000 0.070 0.000 1.355 125 F CB -0.063 39.015 39.000 0.131 0.000 1.081 125 F HN 0.234 nan 8.300 nan 0.000 0.565 126 N N -0.155 118.618 118.700 0.122 0.000 4.614 126 N HA -0.004 4.737 4.740 0.001 0.000 0.158 126 N C -2.574 172.954 175.510 0.031 0.000 1.311 126 N CA -0.658 52.424 53.050 0.054 0.000 0.922 126 N CB 0.712 39.222 38.487 0.039 0.000 1.696 126 N HN -0.226 nan 8.380 nan 0.000 0.871 127 P HA 0.027 nan 4.420 nan 0.000 0.237 127 P C 1.282 178.578 177.300 -0.008 0.000 1.178 127 P CA 0.293 63.391 63.100 -0.002 0.000 0.766 127 P CB 0.658 32.348 31.700 -0.017 0.000 0.876 128 L N -0.108 121.108 121.223 -0.012 0.000 2.095 128 L HA -0.021 4.319 4.340 0.001 0.000 0.204 128 L C 2.809 179.670 176.870 -0.015 0.000 1.080 128 L CA 1.352 56.181 54.840 -0.019 0.000 0.759 128 L CB -0.793 41.249 42.059 -0.028 0.000 0.914 128 L HN -0.067 nan 8.230 nan 0.000 0.439 129 K N 0.134 120.528 120.400 -0.010 0.000 2.211 129 K HA -0.121 4.200 4.320 0.001 0.000 0.203 129 K C 1.524 178.122 176.600 -0.003 0.000 1.050 129 K CA 1.548 57.830 56.287 -0.009 0.000 0.945 129 K CB 0.089 32.585 32.500 -0.008 0.000 0.732 129 K HN 0.357 nan 8.250 nan 0.000 0.451 130 T N -3.121 111.434 114.554 0.002 0.000 3.244 130 T HA 0.231 4.582 4.350 0.001 0.000 0.254 130 T C 1.009 175.707 174.700 -0.004 0.000 1.024 130 T CA 0.121 62.222 62.100 0.003 0.000 0.920 130 T CB 0.419 69.293 68.868 0.011 0.000 1.042 130 T HN 0.298 nan 8.240 nan 0.000 0.572 131 G N 0.885 109.680 108.800 -0.008 0.000 2.180 131 G HA2 -0.320 3.640 3.960 0.001 0.000 0.263 131 G HA3 -0.320 3.640 3.960 0.001 0.000 0.263 131 G C 0.914 175.806 174.900 -0.013 0.000 0.989 131 G CA 0.369 45.462 45.100 -0.012 0.000 0.692 131 G HN 0.575 nan 8.290 nan 0.000 0.526 132 V N -0.523 119.384 119.914 -0.012 0.000 2.469 132 V HA -0.027 4.094 4.120 0.001 0.000 0.251 132 V C 1.824 177.906 176.094 -0.019 0.000 1.064 132 V CA 1.800 64.091 62.300 -0.015 0.000 1.066 132 V CB -0.831 30.983 31.823 -0.015 0.000 0.667 132 V HN 1.563 nan 8.190 nan 0.000 0.461 133 c N -2.427 116.161 118.600 -0.020 0.000 3.312 133 c HA 0.702 5.273 4.570 0.001 0.000 0.332 133 c C -1.074 173.001 174.090 -0.024 0.000 1.340 133 c CA -1.179 55.137 56.329 -0.023 0.000 1.265 133 c CB 1.434 43.928 42.510 -0.026 0.000 1.563 133 c HN 0.359 nan 8.230 nan 0.000 0.471 134 Q N 0.556 120.341 119.800 -0.025 0.000 2.399 134 Q HA 0.741 5.082 4.340 0.001 0.000 0.276 134 Q C -1.148 174.833 176.000 -0.030 0.000 1.098 134 Q CA -0.710 55.077 55.803 -0.027 0.000 0.827 134 Q CB 2.311 31.034 28.738 -0.024 0.000 1.386 134 Q HN 0.701 nan 8.270 nan 0.000 0.443 135 L N 1.059 122.262 121.223 -0.033 0.000 2.334 135 L HA 0.247 4.587 4.340 0.001 0.000 0.277 135 L C -0.052 176.797 176.870 -0.035 0.000 1.075 135 L CA -0.633 54.185 54.840 -0.038 0.000 0.804 135 L CB 0.731 42.764 42.059 -0.044 0.000 1.174 135 L HN 0.574 nan 8.230 nan 0.000 0.438 136 D N 2.684 123.062 120.400 -0.036 0.000 2.374 136 D HA -0.043 4.597 4.640 0.001 0.000 0.240 136 D C 0.926 177.205 176.300 -0.035 0.000 1.229 136 D CA 0.095 54.076 54.000 -0.032 0.000 0.895 136 D CB 0.473 41.254 40.800 -0.031 0.000 1.046 136 D HN 0.463 nan 8.370 nan 0.000 0.498 137 N N 4.066 122.747 118.700 -0.032 0.000 2.023 137 N HA -0.309 4.432 4.740 0.001 0.000 0.200 137 N C 1.493 176.983 175.510 -0.034 0.000 1.048 137 N CA 2.291 55.322 53.050 -0.033 0.000 0.872 137 N CB -0.284 38.186 38.487 -0.028 0.000 1.070 137 N HN 0.505 nan 8.380 nan 0.000 0.441 138 A N 0.737 123.540 122.820 -0.029 0.000 1.917 138 A HA -0.202 4.118 4.320 0.001 0.000 0.219 138 A C 2.192 179.757 177.584 -0.031 0.000 1.182 138 A CA 1.916 53.936 52.037 -0.027 0.000 0.633 138 A CB -1.080 17.907 19.000 -0.023 0.000 0.819 138 A HN 0.719 nan 8.150 nan 0.000 0.448 139 N N -0.650 118.030 118.700 -0.033 0.000 2.216 139 N HA -0.100 4.640 4.740 0.001 0.000 0.183 139 N C 1.566 177.049 175.510 -0.045 0.000 1.017 139 N CA 1.162 54.191 53.050 -0.036 0.000 0.861 139 N CB -0.027 38.439 38.487 -0.034 0.000 0.986 139 N HN 0.255 nan 8.380 nan 0.000 0.428 140 V N 0.509 120.393 119.914 -0.049 0.000 2.379 140 V HA -0.158 3.963 4.120 0.001 0.000 0.245 140 V C 2.157 178.211 176.094 -0.065 0.000 1.044 140 V CA 1.666 63.929 62.300 -0.062 0.000 1.036 140 V CB -0.659 31.126 31.823 -0.063 0.000 0.664 140 V HN 0.397 nan 8.190 nan 0.000 0.453 141 T N -0.259 114.262 114.554 -0.055 0.000 2.684 141 T HA -0.252 4.099 4.350 0.001 0.000 0.267 141 T C 1.714 176.384 174.700 -0.051 0.000 1.036 141 T CA 2.022 64.091 62.100 -0.053 0.000 1.148 141 T CB -0.370 68.474 68.868 -0.040 0.000 0.863 141 T HN 0.575 nan 8.240 nan 0.000 0.436 142 D N 1.028 121.402 120.400 -0.043 0.000 2.117 142 D HA -0.003 4.638 4.640 0.001 0.000 0.198 142 D C 2.230 178.503 176.300 -0.045 0.000 0.982 142 D CA 1.201 55.179 54.000 -0.037 0.000 0.828 142 D CB -0.335 40.447 40.800 -0.030 0.000 0.967 142 D HN 0.339 nan 8.370 nan 0.000 0.464 143 A N 0.093 122.880 122.820 -0.056 0.000 1.898 143 A HA -0.068 4.252 4.320 0.001 0.000 0.216 143 A C 2.444 179.973 177.584 -0.092 0.000 1.181 143 A CA 1.084 53.080 52.037 -0.069 0.000 0.620 143 A CB -0.712 18.241 19.000 -0.077 0.000 0.819 143 A HN 0.365 nan 8.150 nan 0.000 0.442 144 I N -0.881 119.626 120.570 -0.105 0.000 2.202 144 I HA -0.196 3.974 4.170 0.001 0.000 0.242 144 I C 2.236 178.281 176.117 -0.120 0.000 1.091 144 I CA 0.773 61.989 61.300 -0.139 0.000 1.368 144 I CB -0.303 37.612 38.000 -0.142 0.000 1.058 144 I HN 0.208 nan 8.210 nan 0.000 0.410 145 L N 0.319 121.492 121.223 -0.084 0.000 2.083 145 L HA -0.195 4.146 4.340 0.001 0.000 0.209 145 L C 2.761 179.615 176.870 -0.027 0.000 1.083 145 L CA 1.680 56.486 54.840 -0.057 0.000 0.752 145 L CB -1.149 40.888 42.059 -0.036 0.000 0.899 145 L HN 0.197 nan 8.230 nan 0.000 0.433 146 S N -0.373 115.311 115.700 -0.026 0.000 2.348 146 S HA -0.187 4.284 4.470 0.001 0.000 0.221 146 S C 2.052 176.664 174.600 0.020 0.000 1.033 146 S CA 1.008 59.207 58.200 -0.002 0.000 1.010 146 S CB -0.081 63.111 63.200 -0.012 0.000 0.891 146 S HN 0.438 nan 8.310 nan 0.000 0.442 147 R N 0.789 121.286 120.500 -0.006 0.000 2.285 147 R HA 0.103 4.444 4.340 0.001 0.000 0.213 147 R C 2.028 178.419 176.300 0.152 0.000 1.068 147 R CA 0.882 57.014 56.100 0.054 0.000 1.004 147 R CB -0.405 29.840 30.300 -0.092 0.000 0.873 147 R HN 0.478 nan 8.270 nan 0.000 0.467 148 A N 0.468 123.320 122.820 0.053 0.000 2.275 148 A HA 0.287 4.608 4.320 0.001 0.000 0.212 148 A C 1.417 179.135 177.584 0.224 0.000 1.201 148 A CA 0.660 52.744 52.037 0.078 0.000 0.843 148 A CB 0.189 19.107 19.000 -0.138 0.000 0.873 148 A HN 0.405 nan 8.150 nan 0.000 0.492 149 G N -2.797 106.094 108.800 0.153 0.000 2.144 149 G HA2 0.196 4.156 3.960 0.001 0.000 0.218 149 G HA3 0.196 4.156 3.960 0.001 0.000 0.218 149 G C 1.407 176.371 174.900 0.107 0.000 0.988 149 G CA 0.751 45.937 45.100 0.143 0.000 0.659 149 G HN 2.032 nan 8.290 nan 0.000 0.522 150 G N -1.824 107.021 108.800 0.075 0.000 2.313 150 G HA2 0.247 4.207 3.960 0.001 0.000 0.215 150 G HA3 0.247 4.207 3.960 0.001 0.000 0.215 150 G C 0.606 175.532 174.900 0.044 0.000 1.023 150 G CA 1.291 46.421 45.100 0.050 0.000 0.626 150 G HN 2.633 nan 8.290 nan 0.000 0.503 151 S N -0.691 115.051 115.700 0.070 0.000 2.570 151 S HA 0.717 5.187 4.470 0.001 0.000 0.270 151 S C 0.733 175.394 174.600 0.101 0.000 1.149 151 S CA -0.334 57.904 58.200 0.062 0.000 0.837 151 S CB 1.359 64.595 63.200 0.060 0.000 1.124 151 S HN 0.340 nan 8.310 nan 0.000 0.465 152 I N 1.272 121.887 120.570 0.076 0.000 2.546 152 I HA -0.012 4.159 4.170 0.001 0.000 0.255 152 I C 2.764 179.006 176.117 0.207 0.000 1.163 152 I CA 1.597 62.975 61.300 0.129 0.000 1.457 152 I CB -2.100 35.939 38.000 0.065 0.000 1.092 152 I HN 0.893 nan 8.210 nan 0.000 0.434 153 A N 0.824 123.717 122.820 0.123 0.000 1.877 153 A HA -0.282 4.038 4.320 0.001 0.000 0.216 153 A C 2.167 179.819 177.584 0.113 0.000 1.186 153 A CA 2.258 54.349 52.037 0.090 0.000 0.620 153 A CB -0.903 18.125 19.000 0.047 0.000 0.822 153 A HN 0.398 nan 8.150 nan 0.000 0.443 154 D N -1.932 118.553 120.400 0.141 0.000 2.178 154 D HA -0.125 4.515 4.640 0.001 0.000 0.202 154 D C 1.578 178.029 176.300 0.251 0.000 0.974 154 D CA 1.079 55.172 54.000 0.154 0.000 0.841 154 D CB -0.168 40.735 40.800 0.172 0.000 0.953 154 D HN 0.361 nan 8.370 nan 0.000 0.478 155 F N 0.970 121.000 119.950 0.134 0.000 2.046 155 F HA -0.209 4.318 4.527 0.000 0.000 0.297 155 F C 2.577 178.496 175.800 0.197 0.000 1.123 155 F CA 2.298 60.397 58.000 0.164 0.000 1.199 155 F CB -1.050 38.033 39.000 0.138 0.000 0.972 155 F HN 0.062 nan 8.300 nan 0.000 0.474 156 T N -2.182 112.534 114.554 0.270 0.000 2.788 156 T HA -0.062 4.288 4.350 0.001 0.000 0.268 156 T C 2.315 177.082 174.700 0.111 0.000 1.044 156 T CA 1.067 63.298 62.100 0.220 0.000 1.139 156 T CB -1.613 67.304 68.868 0.081 0.000 0.867 156 T HN 0.331 nan 8.240 nan 0.000 0.454 157 G N 0.457 109.280 108.800 0.039 0.000 2.450 157 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 157 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 157 G C 1.524 176.363 174.900 -0.102 0.000 1.130 157 G CA 0.587 45.659 45.100 -0.047 0.000 0.760 157 G HN 0.572 nan 8.290 nan 0.000 0.557 158 H N -0.015 119.049 119.070 -0.010 0.000 2.551 158 H HA 0.197 4.754 4.556 0.001 0.000 0.266 158 H C 1.546 176.835 175.328 -0.066 0.000 0.977 158 H CA 0.498 56.519 56.048 -0.046 0.000 1.163 158 H CB 0.441 30.155 29.762 -0.080 0.000 1.381 158 H HN 0.347 nan 8.280 nan 0.000 0.581 159 R N -0.078 120.462 120.500 0.067 0.000 2.629 159 R HA 0.102 4.442 4.340 0.001 0.000 0.408 159 R C 1.278 177.702 176.300 0.206 0.000 1.057 159 R CA -0.165 55.964 56.100 0.047 0.000 1.119 159 R CB 0.764 31.004 30.300 -0.100 0.000 1.403 159 R HN 0.043 nan 8.270 nan 0.000 0.576 160 Q N 0.456 120.374 119.800 0.196 0.000 2.135 160 Q HA -0.119 4.221 4.340 0.001 0.000 0.204 160 Q C 1.435 177.534 176.000 0.166 0.000 0.981 160 Q CA 1.891 57.822 55.803 0.213 0.000 0.856 160 Q CB -0.072 28.715 28.738 0.082 0.000 0.902 160 Q HN 0.230 nan 8.270 nan 0.000 0.425 161 T N 1.059 115.666 114.554 0.089 0.000 2.720 161 T HA -0.160 4.191 4.350 0.001 0.000 0.268 161 T C 1.778 176.506 174.700 0.046 0.000 1.037 161 T CA 1.611 63.745 62.100 0.055 0.000 1.144 161 T CB -0.217 68.668 68.868 0.029 0.000 0.864 161 T HN 0.436 nan 8.240 nan 0.000 0.444 162 A N 0.356 123.182 122.820 0.010 0.000 1.929 162 A HA 0.088 4.409 4.320 0.001 0.000 0.216 162 A C 1.946 179.497 177.584 -0.054 0.000 1.176 162 A CA 0.998 53.001 52.037 -0.057 0.000 0.628 162 A CB -0.815 18.093 19.000 -0.153 0.000 0.816 162 A HN 0.430 nan 8.150 nan 0.000 0.444 163 F N 0.055 120.011 119.950 0.009 0.000 2.146 163 F HA -0.061 4.466 4.527 0.000 0.000 0.298 163 F C 2.554 178.356 175.800 0.003 0.000 1.096 163 F CA 1.490 59.493 58.000 0.004 0.000 1.275 163 F CB -0.234 38.759 39.000 -0.010 0.000 1.008 163 F HN 0.106 nan 8.300 nan 0.000 0.480 164 R N -0.327 120.294 120.500 0.202 0.000 2.115 164 R HA -0.160 4.181 4.340 0.001 0.000 0.230 164 R C 2.032 178.390 176.300 0.096 0.000 1.111 164 R CA 1.265 57.443 56.100 0.131 0.000 0.976 164 R CB -0.334 30.025 30.300 0.099 0.000 0.870 164 R HN 0.154 nan 8.270 nan 0.000 0.445 165 E N 1.110 121.352 120.200 0.070 0.000 2.110 165 E HA -0.174 4.177 4.350 0.001 0.000 0.193 165 E C 1.714 178.344 176.600 0.051 0.000 0.988 165 E CA 0.791 57.212 56.400 0.036 0.000 0.804 165 E CB -0.142 29.563 29.700 0.008 0.000 0.745 165 E HN 0.121 nan 8.360 nan 0.000 0.458 166 L N 1.037 122.312 121.223 0.088 0.000 2.027 166 L HA -0.104 4.236 4.340 0.001 0.000 0.206 166 L C 1.775 178.742 176.870 0.161 0.000 1.074 166 L CA 1.973 56.904 54.840 0.151 0.000 0.745 166 L CB -0.601 41.558 42.059 0.166 0.000 0.898 166 L HN 0.132 nan 8.230 nan 0.000 0.433 167 E N -0.749 119.528 120.200 0.127 0.000 2.118 167 E HA -0.238 4.112 4.350 0.001 0.000 0.195 167 E C 2.230 178.926 176.600 0.160 0.000 0.992 167 E CA 0.837 57.327 56.400 0.150 0.000 0.804 167 E CB -0.242 29.561 29.700 0.172 0.000 0.741 167 E HN 0.332 nan 8.360 nan 0.000 0.458 168 R N 1.024 121.585 120.500 0.102 0.000 2.092 168 R HA -0.089 4.251 4.340 0.001 0.000 0.231 168 R C 2.079 178.395 176.300 0.026 0.000 1.119 168 R CA 0.868 57.000 56.100 0.054 0.000 0.970 168 R CB -0.283 30.033 30.300 0.026 0.000 0.864 168 R HN 0.112 nan 8.270 nan 0.000 0.440 169 V N 1.175 121.106 119.914 0.030 0.000 2.548 169 V HA -0.166 3.954 4.120 0.001 0.000 0.249 169 V C 2.193 178.352 176.094 0.108 0.000 1.055 169 V CA 1.245 63.542 62.300 -0.004 0.000 1.065 169 V CB -0.200 31.535 31.823 -0.147 0.000 0.681 169 V HN 0.254 nan 8.190 nan 0.000 0.462 170 L N -0.188 121.128 121.223 0.154 0.000 2.509 170 L HA 0.198 4.539 4.340 0.001 0.000 0.222 170 L C 1.201 178.023 176.870 -0.080 0.000 1.123 170 L CA 0.516 55.408 54.840 0.087 0.000 0.856 170 L CB -0.455 41.760 42.059 0.260 0.000 0.985 170 L HN 0.512 nan 8.230 nan 0.000 0.456 171 N N -0.424 118.270 118.700 -0.010 0.000 2.740 171 N HA -0.312 4.429 4.740 0.001 0.000 0.248 171 N C 0.683 176.213 175.510 0.034 0.000 1.062 171 N CA 0.299 53.328 53.050 -0.035 0.000 0.704 171 N CB -1.511 36.882 38.487 -0.156 0.000 0.968 171 N HN 0.300 nan 8.380 nan 0.000 0.547 172 F N 1.535 121.468 119.950 -0.028 0.000 2.154 172 F HA -0.032 4.496 4.527 0.001 0.000 0.301 172 F C -0.612 175.184 175.800 -0.007 0.000 1.087 172 F CA 2.020 60.023 58.000 0.005 0.000 1.274 172 F CB -0.827 38.205 39.000 0.053 0.000 1.009 172 F HN 0.291 nan 8.300 nan 0.000 0.485 173 P HA -0.207 nan 4.420 nan 0.000 0.222 173 P C 0.266 177.435 177.300 -0.218 0.000 1.147 173 P CA 1.556 64.515 63.100 -0.235 0.000 0.790 173 P CB -0.190 31.460 31.700 -0.083 0.000 0.780 174 Q N 0.304 120.010 119.800 -0.157 0.000 2.268 174 Q HA 0.182 4.522 4.340 0.001 0.000 0.289 174 Q C 0.419 176.340 176.000 -0.133 0.000 0.893 174 Q CA -0.291 55.432 55.803 -0.133 0.000 1.057 174 Q CB 0.359 29.032 28.738 -0.108 0.000 1.173 174 Q HN 0.244 nan 8.270 nan 0.000 0.449 175 S N -1.358 114.241 115.700 -0.169 0.000 2.718 175 S HA 0.258 4.729 4.470 0.001 0.000 0.300 175 S C 0.795 175.338 174.600 -0.096 0.000 1.117 175 S CA -0.769 57.371 58.200 -0.100 0.000 1.002 175 S CB 1.548 64.739 63.200 -0.015 0.000 1.092 175 S HN 0.201 nan 8.310 nan 0.000 0.542 176 N N -0.175 118.510 118.700 -0.025 0.000 2.106 176 N HA -0.116 4.625 4.740 0.001 0.000 0.188 176 N C 1.657 177.157 175.510 -0.018 0.000 1.029 176 N CA 1.423 54.465 53.050 -0.012 0.000 0.848 176 N CB -0.693 37.811 38.487 0.028 0.000 1.007 176 N HN 0.640 nan 8.380 nan 0.000 0.423 177 L N 1.079 122.317 121.223 0.025 0.000 2.079 177 L HA -0.137 4.203 4.340 0.001 0.000 0.210 177 L C 2.793 179.620 176.870 -0.072 0.000 1.081 177 L CA 1.585 56.455 54.840 0.050 0.000 0.752 177 L CB -1.063 41.126 42.059 0.217 0.000 0.896 177 L HN 0.333 nan 8.230 nan 0.000 0.433 178 c N -1.179 117.257 118.600 -0.274 0.000 2.576 178 c HA -0.008 4.563 4.570 0.001 0.000 0.281 178 c C 2.640 176.604 174.090 -0.210 0.000 1.292 178 c CA 0.496 56.584 56.329 -0.403 0.000 1.697 178 c CB -1.009 41.029 42.510 -0.786 0.000 2.109 178 c HN 0.578 nan 8.230 nan 0.000 0.497 179 L N 0.847 121.967 121.223 -0.172 0.000 1.956 179 L HA -0.169 4.171 4.340 0.001 0.000 0.216 179 L C 2.270 179.097 176.870 -0.071 0.000 1.073 179 L CA 1.909 56.684 54.840 -0.108 0.000 0.762 179 L CB -0.811 41.197 42.059 -0.086 0.000 0.889 179 L HN 0.335 nan 8.230 nan 0.000 0.433 180 K N 0.430 120.798 120.400 -0.052 0.000 2.668 180 K HA -0.039 4.282 4.320 0.001 0.000 0.204 180 K C 0.494 177.079 176.600 -0.024 0.000 1.016 180 K CA -0.172 56.098 56.287 -0.029 0.000 1.131 180 K CB -0.333 32.158 32.500 -0.013 0.000 0.891 180 K HN 0.152 nan 8.250 nan 0.000 0.499 181 R N 1.596 122.072 120.500 -0.040 0.000 2.538 181 R HA -0.094 4.246 4.340 0.001 0.000 0.282 181 R C 0.188 176.479 176.300 -0.016 0.000 1.009 181 R CA 0.583 56.666 56.100 -0.028 0.000 1.063 181 R CB 0.408 30.680 30.300 -0.047 0.000 0.945 181 R HN 0.235 nan 8.270 nan 0.000 0.414 182 E N 3.024 123.222 120.200 -0.004 0.000 2.489 182 E HA -0.064 4.286 4.350 0.001 0.000 0.193 182 E C -0.236 176.363 176.600 -0.002 0.000 1.057 182 E CA 0.491 56.890 56.400 -0.001 0.000 0.866 182 E CB 0.305 30.007 29.700 0.004 0.000 0.916 182 E HN 0.471 nan 8.360 nan 0.000 0.500 183 K N 0.401 120.800 120.400 -0.003 0.000 3.163 183 K HA 0.183 4.504 4.320 0.001 0.000 0.186 183 K C 0.507 177.102 176.600 -0.007 0.000 1.111 183 K CA -0.280 56.006 56.287 -0.002 0.000 0.918 183 K CB 0.558 33.060 32.500 0.004 0.000 1.059 183 K HN -0.259 nan 8.250 nan 0.000 0.558 184 Q N 0.511 120.303 119.800 -0.013 0.000 2.515 184 Q HA -0.200 4.141 4.340 0.001 0.000 0.215 184 Q C 0.645 176.637 176.000 -0.014 0.000 0.983 184 Q CA 1.225 57.017 55.803 -0.019 0.000 0.905 184 Q CB -0.063 28.663 28.738 -0.020 0.000 0.961 184 Q HN 0.629 nan 8.270 nan 0.000 0.503 185 D N 0.924 121.319 120.400 -0.009 0.000 2.224 185 D HA -0.078 4.563 4.640 0.001 0.000 0.205 185 D C -0.026 176.272 176.300 -0.004 0.000 0.965 185 D CA 0.721 54.717 54.000 -0.006 0.000 0.852 185 D CB 0.433 41.231 40.800 -0.003 0.000 0.947 185 D HN 0.324 nan 8.370 nan 0.000 0.494 186 E N -0.547 119.651 120.200 -0.002 0.000 2.249 186 E HA 0.333 4.684 4.350 0.001 0.000 0.263 186 E C -0.713 175.888 176.600 0.002 0.000 0.950 186 E CA -0.782 55.619 56.400 0.002 0.000 0.827 186 E CB 1.688 31.392 29.700 0.007 0.000 1.220 186 E HN -0.134 nan 8.360 nan 0.000 0.411 187 S N 0.348 116.053 115.700 0.009 0.000 2.576 187 S HA 0.078 4.549 4.470 0.001 0.000 0.276 187 S C 0.027 174.647 174.600 0.033 0.000 1.339 187 S CA -0.725 57.482 58.200 0.013 0.000 1.039 187 S CB 0.230 63.442 63.200 0.020 0.000 0.902 187 S HN 0.553 nan 8.310 nan 0.000 0.516 188 c N 3.819 122.432 118.600 0.023 0.000 2.634 188 c HA 0.532 5.102 4.570 0.001 0.000 0.418 188 c C 0.741 174.990 174.090 0.265 0.000 1.373 188 c CA -0.128 56.242 56.329 0.067 0.000 1.756 188 c CB -0.664 41.745 42.510 -0.167 0.000 2.589 188 c HN 0.810 nan 8.230 nan 0.000 0.602 189 S N 2.827 118.757 115.700 0.382 0.000 2.566 189 S HA 0.412 4.882 4.470 0.001 0.000 0.273 189 S C 0.342 175.035 174.600 0.154 0.000 1.157 189 S CA -0.784 57.571 58.200 0.258 0.000 0.938 189 S CB 0.691 63.939 63.200 0.080 0.000 1.087 189 S HN 0.671 nan 8.310 nan 0.000 0.474 190 L N 3.175 124.283 121.223 -0.191 0.000 2.017 190 L HA -0.075 4.265 4.340 0.001 0.000 0.208 190 L C 2.927 179.663 176.870 -0.223 0.000 1.073 190 L CA 2.105 56.727 54.840 -0.364 0.000 0.745 190 L CB -0.733 41.059 42.059 -0.444 0.000 0.894 190 L HN 0.950 nan 8.230 nan 0.000 0.432 191 T N -3.805 110.542 114.554 -0.345 0.000 2.833 191 T HA -0.262 4.089 4.350 0.001 0.000 0.269 191 T C 1.765 176.369 174.700 -0.160 0.000 1.054 191 T CA 1.310 63.191 62.100 -0.366 0.000 1.135 191 T CB -0.164 68.370 68.868 -0.557 0.000 0.869 191 T HN 0.162 nan 8.240 nan 0.000 0.466 192 Q N 1.008 120.756 119.800 -0.087 0.000 2.163 192 Q HA 0.400 4.741 4.340 0.001 0.000 0.198 192 Q C 2.463 178.468 176.000 0.009 0.000 0.954 192 Q CA 1.270 57.057 55.803 -0.027 0.000 0.851 192 Q CB -0.654 28.084 28.738 0.000 0.000 0.928 192 Q HN 0.673 nan 8.270 nan 0.000 0.459 193 A N -0.460 122.387 122.820 0.045 0.000 1.968 193 A HA 0.058 4.378 4.320 0.001 0.000 0.217 193 A C 0.531 178.146 177.584 0.051 0.000 1.169 193 A CA 0.728 52.814 52.037 0.082 0.000 0.638 193 A CB 0.022 19.136 19.000 0.190 0.000 0.812 193 A HN 0.310 nan 8.150 nan 0.000 0.446 194 L N 1.613 122.847 121.223 0.017 0.000 2.445 194 L HA 0.289 4.630 4.340 0.001 0.000 0.252 194 L C -2.584 174.280 176.870 -0.011 0.000 1.105 194 L CA -2.031 52.816 54.840 0.012 0.000 0.943 194 L CB 1.496 43.565 42.059 0.018 0.000 1.277 194 L HN 0.077 nan 8.230 nan 0.000 0.465 195 P HA 0.023 nan 4.420 nan 0.000 0.266 195 P C -0.431 176.871 177.300 0.004 0.000 1.195 195 P CA 0.052 63.148 63.100 -0.008 0.000 0.768 195 P CB 1.131 32.831 31.700 -0.000 0.000 0.838 196 S N 2.184 117.890 115.700 0.010 0.000 2.429 196 S HA 0.264 4.734 4.470 0.001 0.000 0.302 196 S C -0.144 174.468 174.600 0.019 0.000 1.115 196 S CA -0.560 57.657 58.200 0.028 0.000 1.095 196 S CB 0.551 63.789 63.200 0.063 0.000 0.987 196 S HN 0.376 nan 8.310 nan 0.000 0.474 197 E N 1.731 121.937 120.200 0.010 0.000 2.171 197 E HA 0.351 4.701 4.350 0.001 0.000 0.271 197 E C -0.998 175.594 176.600 -0.013 0.000 0.916 197 E CA -0.945 55.454 56.400 -0.001 0.000 0.774 197 E CB 1.618 31.317 29.700 -0.002 0.000 1.128 197 E HN 0.333 nan 8.360 nan 0.000 0.403 198 L N 3.442 124.650 121.223 -0.025 0.000 2.313 198 L HA 0.218 4.558 4.340 0.001 0.000 0.282 198 L C -0.962 175.886 176.870 -0.037 0.000 1.092 198 L CA -0.095 54.720 54.840 -0.042 0.000 0.831 198 L CB 0.120 42.145 42.059 -0.057 0.000 1.159 198 L HN 0.273 nan 8.230 nan 0.000 0.442 199 K N 5.344 125.720 120.400 -0.039 0.000 2.307 199 K HA 0.561 4.881 4.320 0.001 0.000 0.263 199 K C -1.317 175.257 176.600 -0.043 0.000 0.973 199 K CA -0.527 55.739 56.287 -0.035 0.000 0.846 199 K CB 2.037 34.520 32.500 -0.029 0.000 1.100 199 K HN 0.429 nan 8.250 nan 0.000 0.438 200 V N 2.191 122.082 119.914 -0.040 0.000 2.483 200 V HA 0.396 4.516 4.120 0.001 0.000 0.297 200 V C 0.104 176.177 176.094 -0.036 0.000 1.027 200 V CA -0.633 61.641 62.300 -0.044 0.000 0.855 200 V CB 1.570 33.365 31.823 -0.046 0.000 0.995 200 V HN 0.942 nan 8.190 nan 0.000 0.424 201 S N 3.882 119.560 115.700 -0.037 0.000 2.806 201 S HA 0.823 5.293 4.470 0.001 0.000 0.315 201 S C 1.019 175.599 174.600 -0.033 0.000 1.127 201 S CA 0.006 58.187 58.200 -0.031 0.000 0.918 201 S CB 1.953 65.136 63.200 -0.029 0.000 1.240 201 S HN 0.938 nan 8.310 nan 0.000 0.552 202 A N 0.465 123.268 122.820 -0.029 0.000 2.016 202 A HA 0.064 4.385 4.320 0.001 0.000 0.217 202 A C 1.425 178.991 177.584 -0.030 0.000 1.162 202 A CA 1.495 53.514 52.037 -0.029 0.000 0.662 202 A CB -0.832 18.153 19.000 -0.024 0.000 0.812 202 A HN 0.896 nan 8.150 nan 0.000 0.450 203 D N -2.160 118.222 120.400 -0.030 0.000 2.433 203 D HA 0.203 4.843 4.640 0.001 0.000 0.211 203 D C 0.064 176.342 176.300 -0.037 0.000 1.114 203 D CA -0.030 53.952 54.000 -0.030 0.000 0.837 203 D CB -0.263 40.523 40.800 -0.025 0.000 0.984 203 D HN 0.307 nan 8.370 nan 0.000 0.505 204 N N -1.247 117.428 118.700 -0.043 0.000 3.322 204 N HA 0.415 5.156 4.740 0.001 0.000 0.233 204 N C -2.245 173.230 175.510 -0.059 0.000 1.399 204 N CA -0.645 52.374 53.050 -0.052 0.000 0.894 204 N CB 1.723 40.181 38.487 -0.048 0.000 1.440 204 N HN -0.180 nan 8.380 nan 0.000 0.503 205 V N 0.598 120.468 119.914 -0.073 0.000 3.007 205 V HA 0.906 5.027 4.120 0.001 0.000 0.311 205 V C -0.788 175.255 176.094 -0.084 0.000 1.120 205 V CA -0.411 61.842 62.300 -0.079 0.000 0.980 205 V CB 1.698 33.463 31.823 -0.097 0.000 1.033 205 V HN 0.946 nan 8.190 nan 0.000 0.429 206 S N 3.542 119.197 115.700 -0.075 0.000 2.587 206 S HA 0.783 5.253 4.470 0.001 0.000 0.269 206 S C -2.250 172.318 174.600 -0.054 0.000 1.154 206 S CA -0.745 57.414 58.200 -0.067 0.000 0.824 206 S CB 1.865 65.035 63.200 -0.049 0.000 1.118 206 S HN 0.442 nan 8.310 nan 0.000 0.462 207 L N 2.835 124.035 121.223 -0.038 0.000 2.362 207 L HA 0.699 5.039 4.340 0.001 0.000 0.275 207 L C 0.929 177.804 176.870 0.009 0.000 0.998 207 L CA -0.008 54.823 54.840 -0.015 0.000 0.820 207 L CB 1.586 43.644 42.059 -0.001 0.000 1.270 207 L HN 1.215 nan 8.230 nan 0.000 0.415 208 T N -0.361 114.201 114.554 0.014 0.000 2.891 208 T HA 0.784 5.134 4.350 0.001 0.000 0.294 208 T C 0.731 175.455 174.700 0.040 0.000 1.065 208 T CA 0.117 62.230 62.100 0.022 0.000 0.936 208 T CB 1.211 70.087 68.868 0.014 0.000 1.415 208 T HN 1.063 nan 8.240 nan 0.000 0.572 209 G N 0.384 109.206 108.800 0.038 0.000 2.578 209 G HA2 -0.011 3.950 3.960 0.001 0.000 0.275 209 G HA3 -0.011 3.950 3.960 0.001 0.000 0.275 209 G C 1.158 176.098 174.900 0.067 0.000 1.271 209 G CA 0.798 45.922 45.100 0.041 0.000 0.941 209 G HN 1.673 nan 8.290 nan 0.000 0.564 210 A N -1.452 121.400 122.820 0.053 0.000 1.940 210 A HA 0.110 4.431 4.320 0.001 0.000 0.219 210 A C 2.797 180.559 177.584 0.297 0.000 1.176 210 A CA 3.477 55.579 52.037 0.108 0.000 0.631 210 A CB -0.650 18.296 19.000 -0.090 0.000 0.814 210 A HN 1.526 nan 8.150 nan 0.000 0.446 211 V N 0.892 120.984 119.914 0.297 0.000 2.287 211 V HA -0.271 3.850 4.120 0.001 0.000 0.248 211 V C 3.011 179.252 176.094 0.244 0.000 1.053 211 V CA 2.525 65.052 62.300 0.378 0.000 1.027 211 V CB -1.026 30.994 31.823 0.329 0.000 0.646 211 V HN 0.817 nan 8.190 nan 0.000 0.447 212 S N 0.191 115.988 115.700 0.162 0.000 2.387 212 S HA -0.128 4.342 4.470 0.001 0.000 0.226 212 S C 1.924 176.594 174.600 0.116 0.000 1.026 212 S CA 1.415 59.686 58.200 0.117 0.000 0.972 212 S CB -0.523 62.717 63.200 0.067 0.000 0.814 212 S HN 0.398 nan 8.310 nan 0.000 0.477 213 L N 2.234 123.527 121.223 0.117 0.000 2.056 213 L HA 0.232 4.572 4.340 0.001 0.000 0.207 213 L C 2.624 179.561 176.870 0.113 0.000 1.078 213 L CA 1.705 56.603 54.840 0.096 0.000 0.749 213 L CB -1.240 40.877 42.059 0.096 0.000 0.901 213 L HN 0.326 nan 8.230 nan 0.000 0.433 214 A N -1.491 121.433 122.820 0.174 0.000 1.933 214 A HA -0.206 4.115 4.320 0.001 0.000 0.218 214 A C 2.519 180.172 177.584 0.114 0.000 1.175 214 A CA 1.815 53.941 52.037 0.148 0.000 0.628 214 A CB -1.120 17.977 19.000 0.161 0.000 0.814 214 A HN 0.543 nan 8.150 nan 0.000 0.444 215 S N -1.056 114.746 115.700 0.169 0.000 2.368 215 S HA -0.193 4.277 4.470 0.001 0.000 0.225 215 S C 2.099 176.869 174.600 0.283 0.000 1.030 215 S CA 1.787 60.156 58.200 0.281 0.000 0.999 215 S CB -0.390 62.990 63.200 0.300 0.000 0.844 215 S HN 0.597 nan 8.310 nan 0.000 0.459 216 M N 0.059 119.748 119.600 0.148 0.000 2.099 216 M HA -0.036 4.444 4.480 0.001 0.000 0.262 216 M C 1.645 177.880 176.300 -0.108 0.000 1.067 216 M CA 1.305 56.629 55.300 0.040 0.000 1.124 216 M CB -0.192 32.409 32.600 0.000 0.000 1.353 216 M HN 0.336 nan 8.290 nan 0.000 0.410 217 L N 0.454 121.596 121.223 -0.134 0.000 2.046 217 L HA -0.165 4.175 4.340 0.001 0.000 0.208 217 L C 2.788 179.317 176.870 -0.569 0.000 1.077 217 L CA 2.329 56.968 54.840 -0.335 0.000 0.747 217 L CB -1.659 40.325 42.059 -0.126 0.000 0.896 217 L HN 0.495 nan 8.230 nan 0.000 0.432 218 T N -3.380 111.048 114.554 -0.210 0.000 2.867 218 T HA -0.204 4.147 4.350 0.001 0.000 0.268 218 T C 1.763 176.432 174.700 -0.051 0.000 1.057 218 T CA 1.196 63.282 62.100 -0.025 0.000 1.136 218 T CB -0.265 68.671 68.868 0.113 0.000 0.874 218 T HN 0.228 nan 8.240 nan 0.000 0.466 219 E N 1.542 121.620 120.200 -0.204 0.000 2.106 219 E HA 0.000 4.351 4.350 0.001 0.000 0.192 219 E C 1.982 178.519 176.600 -0.105 0.000 0.984 219 E CA 0.891 57.119 56.400 -0.286 0.000 0.806 219 E CB -0.700 28.726 29.700 -0.456 0.000 0.750 219 E HN 0.661 nan 8.360 nan 0.000 0.458 220 I N 0.012 120.487 120.570 -0.157 0.000 2.226 220 I HA -0.239 3.931 4.170 0.001 0.000 0.245 220 I C 1.682 177.900 176.117 0.169 0.000 1.100 220 I CA 0.814 62.076 61.300 -0.064 0.000 1.374 220 I CB -0.350 37.527 38.000 -0.205 0.000 1.057 220 I HN 0.103 nan 8.210 nan 0.000 0.413 221 F N 0.439 120.534 119.950 0.242 0.000 2.134 221 F HA -0.208 4.319 4.527 0.001 0.000 0.299 221 F C 2.317 178.380 175.800 0.439 0.000 1.097 221 F CA 1.104 59.286 58.000 0.302 0.000 1.264 221 F CB -1.207 37.923 39.000 0.217 0.000 1.001 221 F HN 0.008 nan 8.300 nan 0.000 0.479 222 L N -0.452 121.093 121.223 0.537 0.000 2.017 222 L HA -0.204 4.137 4.340 0.001 0.000 0.208 222 L C 2.188 179.168 176.870 0.184 0.000 1.073 222 L CA 1.426 56.431 54.840 0.275 0.000 0.745 222 L CB -0.716 41.413 42.059 0.117 0.000 0.894 222 L HN -0.009 nan 8.230 nan 0.000 0.432 223 L N -0.435 120.923 121.223 0.225 0.000 2.012 223 L HA -0.267 4.074 4.340 0.001 0.000 0.210 223 L C 2.614 179.781 176.870 0.494 0.000 1.073 223 L CA 1.797 56.826 54.840 0.316 0.000 0.748 223 L CB -1.134 41.067 42.059 0.237 0.000 0.891 223 L HN 0.407 nan 8.230 nan 0.000 0.431 224 Q N -1.338 118.762 119.800 0.499 0.000 2.014 224 Q HA -0.335 4.006 4.340 0.001 0.000 0.207 224 Q C 2.253 178.321 176.000 0.112 0.000 0.993 224 Q CA 2.126 58.079 55.803 0.250 0.000 0.850 224 Q CB -0.271 28.626 28.738 0.265 0.000 0.916 224 Q HN 0.425 nan 8.270 nan 0.000 0.417 225 Q N 0.426 120.335 119.800 0.183 0.000 2.029 225 Q HA -0.230 4.111 4.340 0.001 0.000 0.209 225 Q C 1.887 177.878 176.000 -0.016 0.000 0.999 225 Q CA 2.300 58.137 55.803 0.056 0.000 0.857 225 Q CB -0.618 28.030 28.738 -0.150 0.000 0.926 225 Q HN 0.409 nan 8.270 nan 0.000 0.415 226 A N -0.261 122.559 122.820 0.000 0.000 2.024 226 A HA -0.222 4.099 4.320 0.001 0.000 0.220 226 A C 1.994 179.607 177.584 0.049 0.000 1.164 226 A CA 1.794 53.840 52.037 0.015 0.000 0.643 226 A CB -0.705 18.322 19.000 0.045 0.000 0.806 226 A HN 0.529 nan 8.150 nan 0.000 0.451 227 Q N -0.722 119.122 119.800 0.073 0.000 2.472 227 Q HA 0.212 4.552 4.340 0.001 0.000 0.208 227 Q C 1.050 177.010 176.000 -0.068 0.000 0.958 227 Q CA 1.154 56.970 55.803 0.021 0.000 0.932 227 Q CB -0.530 28.132 28.738 -0.128 0.000 1.007 227 Q HN 1.050 nan 8.270 nan 0.000 0.508 228 G N 0.293 109.058 108.800 -0.059 0.000 2.160 228 G HA2 -0.288 3.673 3.960 0.001 0.000 0.244 228 G HA3 -0.288 3.673 3.960 0.001 0.000 0.244 228 G C -0.072 174.772 174.900 -0.094 0.000 1.022 228 G CA 0.383 45.448 45.100 -0.059 0.000 0.741 228 G HN 0.321 nan 8.290 nan 0.000 0.508 229 M N -0.236 119.278 119.600 -0.144 0.000 2.240 229 M HA 0.223 4.703 4.480 0.001 0.000 0.333 229 M C -0.267 175.978 176.300 -0.092 0.000 1.110 229 M CA -1.356 53.841 55.300 -0.172 0.000 1.173 229 M CB 0.176 32.612 32.600 -0.274 0.000 1.458 229 M HN -0.078 nan 8.290 nan 0.000 0.458 230 P HA -0.187 nan 4.420 nan 0.000 0.209 230 P C -0.724 176.559 177.300 -0.028 0.000 1.167 230 P CA 1.541 64.613 63.100 -0.046 0.000 0.941 230 P CB 0.195 31.868 31.700 -0.045 0.000 0.787 231 E N -1.379 118.796 120.200 -0.042 0.000 2.402 231 E HA 0.301 4.652 4.350 0.001 0.000 0.244 231 E C -2.597 173.956 176.600 -0.079 0.000 0.945 231 E CA -2.081 54.300 56.400 -0.031 0.000 0.774 231 E CB 1.205 30.895 29.700 -0.016 0.000 1.296 231 E HN 0.140 nan 8.360 nan 0.000 0.414 232 P HA 0.003 nan 4.420 nan 0.000 0.266 232 P C 0.715 177.865 177.300 -0.250 0.000 1.195 232 P CA 0.604 63.685 63.100 -0.030 0.000 0.768 232 P CB 0.629 32.472 31.700 0.238 0.000 0.838 233 G N 2.812 111.319 108.800 -0.488 0.000 2.283 233 G HA2 -0.231 3.729 3.960 0.001 0.000 0.280 233 G HA3 -0.231 3.729 3.960 0.001 0.000 0.280 233 G C 0.081 174.826 174.900 -0.258 0.000 1.029 233 G CA -0.011 44.605 45.100 -0.808 0.000 0.840 233 G HN 0.623 nan 8.290 nan 0.000 0.505 234 W N -2.181 119.024 121.300 -0.158 0.000 4.949 234 W HA -0.212 4.448 4.660 0.001 0.000 0.380 234 W C 1.526 177.972 176.519 -0.122 0.000 1.446 234 W CA 1.175 58.441 57.345 -0.131 0.000 0.869 234 W CB -2.051 27.315 29.460 -0.157 0.000 2.591 234 W HN 2.055 nan 8.180 nan 0.000 1.398 235 G N -0.649 108.155 108.800 0.007 0.000 2.228 235 G HA2 -0.469 3.491 3.960 0.001 0.000 0.270 235 G HA3 -0.469 3.491 3.960 0.001 0.000 0.270 235 G C 1.195 176.074 174.900 -0.035 0.000 0.976 235 G CA 1.239 46.336 45.100 -0.006 0.000 0.636 235 G HN 0.374 nan 8.290 nan 0.000 0.542 236 R N -0.070 120.401 120.500 -0.049 0.000 2.189 236 R HA 0.247 4.587 4.340 0.001 0.000 0.223 236 R C 1.254 177.446 176.300 -0.180 0.000 1.092 236 R CA 0.681 56.728 56.100 -0.089 0.000 0.989 236 R CB -0.097 30.164 30.300 -0.065 0.000 0.876 236 R HN 0.563 nan 8.270 nan 0.000 0.457 237 I N 0.851 121.253 120.570 -0.280 0.000 2.301 237 I HA 0.068 4.239 4.170 0.001 0.000 0.292 237 I C 0.988 176.969 176.117 -0.227 0.000 1.046 237 I CA -0.056 60.988 61.300 -0.427 0.000 1.282 237 I CB 1.649 39.135 38.000 -0.857 0.000 1.409 237 I HN 0.161 nan 8.210 nan 0.000 0.484 238 T N -0.049 114.413 114.554 -0.153 0.000 2.955 238 T HA 0.147 4.497 4.350 0.001 0.000 0.251 238 T C 0.269 175.001 174.700 0.053 0.000 1.002 238 T CA -0.211 61.877 62.100 -0.020 0.000 0.970 238 T CB 0.194 69.055 68.868 -0.012 0.000 1.091 238 T HN 0.622 nan 8.240 nan 0.000 0.495 239 D N 1.032 121.455 120.400 0.040 0.000 2.531 239 D HA 0.278 4.918 4.640 0.001 0.000 0.244 239 D C 1.007 177.420 176.300 0.188 0.000 1.090 239 D CA -0.078 53.991 54.000 0.115 0.000 0.989 239 D CB 1.724 42.589 40.800 0.109 0.000 1.433 239 D HN 0.129 nan 8.370 nan 0.000 0.492 240 S N -0.381 115.383 115.700 0.108 0.000 2.399 240 S HA -0.234 4.237 4.470 0.001 0.000 0.231 240 S C 1.420 176.041 174.600 0.034 0.000 1.022 240 S CA 0.880 59.135 58.200 0.091 0.000 0.983 240 S CB -0.827 62.309 63.200 -0.106 0.000 0.803 240 S HN 0.517 nan 8.310 nan 0.000 0.480 241 H N 1.685 120.824 119.070 0.115 0.000 2.389 241 H HA 0.058 4.614 4.556 0.001 0.000 0.299 241 H C 2.296 177.652 175.328 0.048 0.000 1.081 241 H CA 1.674 57.765 56.048 0.070 0.000 1.345 241 H CB -0.325 29.460 29.762 0.039 0.000 1.393 241 H HN 0.642 nan 8.280 nan 0.000 0.520 242 Q N -0.554 119.313 119.800 0.111 0.000 2.172 242 Q HA -0.136 4.205 4.340 0.001 0.000 0.200 242 Q C 2.044 177.995 176.000 -0.082 0.000 0.964 242 Q CA 0.784 56.563 55.803 -0.040 0.000 0.855 242 Q CB -0.058 28.577 28.738 -0.171 0.000 0.918 242 Q HN 0.470 nan 8.270 nan 0.000 0.444 243 W N 1.540 122.860 121.300 0.033 0.000 2.379 243 W HA -0.125 4.536 4.660 0.000 0.000 0.307 243 W C 2.026 178.568 176.519 0.039 0.000 1.200 243 W CA 0.564 57.931 57.345 0.036 0.000 1.297 243 W CB -0.117 29.354 29.460 0.019 0.000 1.140 243 W HN 0.162 nan 8.180 nan 0.000 0.507 244 N N -0.402 118.457 118.700 0.265 0.000 2.084 244 N HA -0.141 4.599 4.740 0.001 0.000 0.190 244 N C 1.560 177.137 175.510 0.111 0.000 1.030 244 N CA 2.244 55.392 53.050 0.163 0.000 0.849 244 N CB -1.272 37.291 38.487 0.126 0.000 1.012 244 N HN 0.037 nan 8.380 nan 0.000 0.423 245 T N 2.317 116.924 114.554 0.088 0.000 2.665 245 T HA -0.072 4.279 4.350 0.001 0.000 0.268 245 T C 2.161 176.874 174.700 0.021 0.000 1.035 245 T CA 0.864 62.986 62.100 0.037 0.000 1.151 245 T CB -0.346 68.537 68.868 0.024 0.000 0.862 245 T HN 0.132 nan 8.240 nan 0.000 0.438 246 L N 0.327 121.578 121.223 0.046 0.000 1.994 246 L HA -0.055 4.285 4.340 0.001 0.000 0.208 246 L C 2.476 179.407 176.870 0.102 0.000 1.071 246 L CA 0.849 55.730 54.840 0.069 0.000 0.745 246 L CB -0.513 41.603 42.059 0.095 0.000 0.892 246 L HN 0.226 nan 8.230 nan 0.000 0.431 247 L N 0.012 121.329 121.223 0.157 0.000 2.275 247 L HA -0.137 4.204 4.340 0.001 0.000 0.215 247 L C 2.901 179.841 176.870 0.116 0.000 1.119 247 L CA 1.891 56.827 54.840 0.161 0.000 0.790 247 L CB -1.330 40.833 42.059 0.175 0.000 0.919 247 L HN 0.451 nan 8.230 nan 0.000 0.443 248 S N -0.410 115.322 115.700 0.054 0.000 2.402 248 S HA -0.213 4.258 4.470 0.001 0.000 0.233 248 S C 1.971 176.558 174.600 -0.023 0.000 1.030 248 S CA 0.905 59.106 58.200 0.001 0.000 1.003 248 S CB -0.473 62.706 63.200 -0.035 0.000 0.813 248 S HN 0.273 nan 8.310 nan 0.000 0.477 249 L N 1.261 122.455 121.223 -0.049 0.000 2.141 249 L HA 0.089 4.430 4.340 0.001 0.000 0.209 249 L C 2.483 179.395 176.870 0.071 0.000 1.094 249 L CA 1.820 56.599 54.840 -0.101 0.000 0.763 249 L CB -1.273 40.633 42.059 -0.256 0.000 0.908 249 L HN 0.541 nan 8.230 nan 0.000 0.437 250 H N -0.569 118.516 119.070 0.027 0.000 2.307 250 H HA -0.050 4.507 4.556 0.001 0.000 0.303 250 H C 2.008 177.404 175.328 0.112 0.000 1.073 250 H CA 1.731 57.825 56.048 0.077 0.000 1.338 250 H CB 0.112 29.878 29.762 0.007 0.000 1.389 250 H HN 0.220 nan 8.280 nan 0.000 0.503 251 N N 0.588 119.302 118.700 0.023 0.000 2.205 251 N HA -0.133 4.607 4.740 0.001 0.000 0.186 251 N C 1.908 177.477 175.510 0.099 0.000 1.015 251 N CA 1.153 54.190 53.050 -0.022 0.000 0.862 251 N CB -0.540 37.941 38.487 -0.011 0.000 0.986 251 N HN 0.534 nan 8.380 nan 0.000 0.429 252 A N 0.996 123.894 122.820 0.130 0.000 1.898 252 A HA -0.177 4.144 4.320 0.001 0.000 0.216 252 A C 2.196 180.028 177.584 0.413 0.000 1.181 252 A CA 1.294 53.501 52.037 0.283 0.000 0.620 252 A CB -0.591 18.535 19.000 0.211 0.000 0.819 252 A HN 0.319 nan 8.150 nan 0.000 0.442 253 Q N -1.634 118.343 119.800 0.295 0.000 2.079 253 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 253 Q C 1.731 177.803 176.000 0.120 0.000 0.974 253 Q CA 1.534 57.458 55.803 0.201 0.000 0.840 253 Q CB -0.192 28.648 28.738 0.169 0.000 0.898 253 Q HN 0.606 nan 8.270 nan 0.000 0.430 254 F N -0.428 119.479 119.950 -0.071 0.000 2.216 254 F HA -0.194 4.333 4.527 0.001 0.000 0.300 254 F C 2.121 177.911 175.800 -0.017 0.000 1.085 254 F CA 1.091 59.040 58.000 -0.086 0.000 1.326 254 F CB -0.697 38.209 39.000 -0.156 0.000 1.027 254 F HN 0.250 nan 8.300 nan 0.000 0.497 255 Y N -0.078 120.276 120.300 0.089 0.000 2.128 255 Y HA -0.237 4.313 4.550 0.000 0.000 0.284 255 Y C 2.091 177.972 175.900 -0.032 0.000 1.154 255 Y CA 1.517 59.631 58.100 0.022 0.000 1.149 255 Y CB -0.523 37.977 38.460 0.066 0.000 0.976 255 Y HN -0.040 nan 8.280 nan 0.000 0.505 256 L N -0.113 121.093 121.223 -0.028 0.000 2.023 256 L HA -0.143 4.197 4.340 0.001 0.000 0.205 256 L C 2.271 179.000 176.870 -0.234 0.000 1.073 256 L CA 1.739 56.443 54.840 -0.227 0.000 0.745 256 L CB -1.107 40.805 42.059 -0.246 0.000 0.900 256 L HN 0.322 nan 8.230 nan 0.000 0.435 257 L N -1.727 119.374 121.223 -0.202 0.000 2.375 257 L HA -0.024 4.317 4.340 0.001 0.000 0.215 257 L C 2.002 178.732 176.870 -0.235 0.000 1.108 257 L CA 0.372 55.078 54.840 -0.223 0.000 0.830 257 L CB -0.259 41.652 42.059 -0.247 0.000 0.959 257 L HN 0.302 nan 8.230 nan 0.000 0.457 258 Q N -0.594 119.062 119.800 -0.239 0.000 2.353 258 Q HA 0.147 4.487 4.340 0.001 0.000 0.240 258 Q C 1.879 177.816 176.000 -0.105 0.000 0.868 258 Q CA 0.313 56.006 55.803 -0.184 0.000 0.944 258 Q CB 0.820 29.420 28.738 -0.230 0.000 1.104 258 Q HN 0.429 nan 8.270 nan 0.000 0.531 259 R N 0.257 120.680 120.500 -0.128 0.000 2.265 259 R HA 0.167 4.507 4.340 0.001 0.000 0.194 259 R C 0.242 176.431 176.300 -0.185 0.000 0.931 259 R CA 0.164 56.185 56.100 -0.132 0.000 1.032 259 R CB 0.348 30.569 30.300 -0.133 0.000 0.980 259 R HN -0.022 nan 8.270 nan 0.000 0.497 260 T N 3.432 117.843 114.554 -0.239 0.000 2.822 260 T HA 0.002 4.352 4.350 0.001 0.000 0.288 260 T C -1.850 172.765 174.700 -0.141 0.000 0.991 260 T CA -0.800 61.164 62.100 -0.226 0.000 1.176 260 T CB 1.085 69.819 68.868 -0.223 0.000 0.951 260 T HN -0.009 nan 8.240 nan 0.000 0.526 261 P HA -0.126 nan 4.420 nan 0.000 0.216 261 P C 1.291 178.549 177.300 -0.070 0.000 1.154 261 P CA 0.942 63.997 63.100 -0.076 0.000 0.865 261 P CB 0.175 31.838 31.700 -0.062 0.000 0.789 262 E N -1.311 118.843 120.200 -0.077 0.000 2.331 262 E HA -0.098 4.252 4.350 0.001 0.000 0.199 262 E C 1.692 178.250 176.600 -0.069 0.000 1.008 262 E CA 0.795 57.154 56.400 -0.067 0.000 0.843 262 E CB -0.669 28.990 29.700 -0.069 0.000 0.761 262 E HN 0.162 nan 8.360 nan 0.000 0.507 263 V N -0.751 119.114 119.914 -0.081 0.000 2.911 263 V HA 0.141 4.262 4.120 0.001 0.000 0.237 263 V C 1.984 178.038 176.094 -0.066 0.000 1.156 263 V CA 0.851 63.104 62.300 -0.079 0.000 1.180 263 V CB -0.420 31.343 31.823 -0.100 0.000 0.932 263 V HN 0.265 nan 8.190 nan 0.000 0.483 264 A N 0.875 123.654 122.820 -0.068 0.000 1.892 264 A HA -0.283 4.037 4.320 0.001 0.000 0.218 264 A C 2.284 179.850 177.584 -0.030 0.000 1.188 264 A CA 2.373 54.383 52.037 -0.044 0.000 0.631 264 A CB -0.554 18.421 19.000 -0.041 0.000 0.822 264 A HN 0.515 nan 8.150 nan 0.000 0.447 265 R N -0.413 120.065 120.500 -0.036 0.000 2.083 265 R HA -0.105 4.235 4.340 0.001 0.000 0.237 265 R C 2.585 178.863 176.300 -0.037 0.000 1.137 265 R CA 1.754 57.834 56.100 -0.034 0.000 0.951 265 R CB -0.523 29.754 30.300 -0.038 0.000 0.851 265 R HN 0.522 nan 8.270 nan 0.000 0.434 266 S N 0.348 116.024 115.700 -0.040 0.000 2.368 266 S HA -0.120 4.350 4.470 0.001 0.000 0.224 266 S C 1.875 176.454 174.600 -0.036 0.000 1.029 266 S CA 1.035 59.212 58.200 -0.039 0.000 0.988 266 S CB -0.166 63.010 63.200 -0.040 0.000 0.838 266 S HN 0.283 nan 8.310 nan 0.000 0.462 267 R N 0.783 121.263 120.500 -0.033 0.000 2.189 267 R HA 0.086 4.427 4.340 0.001 0.000 0.218 267 R C 1.728 178.017 176.300 -0.017 0.000 1.074 267 R CA 0.979 57.064 56.100 -0.025 0.000 0.991 267 R CB -0.145 30.139 30.300 -0.027 0.000 0.883 267 R HN 0.374 nan 8.270 nan 0.000 0.457 268 A N -1.073 121.736 122.820 -0.019 0.000 2.348 268 A HA 0.107 4.428 4.320 0.001 0.000 0.224 268 A C 1.610 179.165 177.584 -0.048 0.000 1.227 268 A CA 0.157 52.183 52.037 -0.019 0.000 0.885 268 A CB 0.096 19.103 19.000 0.010 0.000 0.933 268 A HN 0.221 nan 8.150 nan 0.000 0.506 269 T N 1.773 116.296 114.554 -0.052 0.000 2.635 269 T HA -0.109 4.241 4.350 0.001 0.000 0.267 269 T C -0.303 174.348 174.700 -0.083 0.000 1.040 269 T CA 2.263 64.323 62.100 -0.065 0.000 1.156 269 T CB -0.937 67.897 68.868 -0.056 0.000 0.863 269 T HN 0.373 nan 8.240 nan 0.000 0.430 270 P HA 0.020 nan 4.420 nan 0.000 0.216 270 P C 1.498 178.711 177.300 -0.145 0.000 1.150 270 P CA 0.845 63.882 63.100 -0.104 0.000 0.837 270 P CB -0.136 31.503 31.700 -0.101 0.000 0.786 271 L N -1.645 119.481 121.223 -0.162 0.000 2.056 271 L HA -0.132 4.209 4.340 0.001 0.000 0.207 271 L C 2.405 179.172 176.870 -0.172 0.000 1.078 271 L CA 1.136 55.860 54.840 -0.193 0.000 0.749 271 L CB -0.842 41.119 42.059 -0.164 0.000 0.901 271 L HN -0.041 nan 8.230 nan 0.000 0.433 272 L N -0.419 120.722 121.223 -0.136 0.000 2.042 272 L HA -0.267 4.073 4.340 0.001 0.000 0.210 272 L C 2.247 179.023 176.870 -0.157 0.000 1.076 272 L CA 1.240 55.991 54.840 -0.148 0.000 0.749 272 L CB -0.657 41.328 42.059 -0.122 0.000 0.893 272 L HN 0.319 nan 8.230 nan 0.000 0.432 273 D N -0.123 120.197 120.400 -0.133 0.000 2.144 273 D HA -0.180 4.461 4.640 0.001 0.000 0.199 273 D C 2.251 178.479 176.300 -0.121 0.000 0.984 273 D CA 0.999 54.929 54.000 -0.118 0.000 0.834 273 D CB -0.083 40.659 40.800 -0.097 0.000 0.955 273 D HN 0.271 nan 8.370 nan 0.000 0.465 274 L N 0.583 121.722 121.223 -0.139 0.000 2.027 274 L HA -0.120 4.221 4.340 0.001 0.000 0.206 274 L C 2.372 179.151 176.870 -0.151 0.000 1.074 274 L CA 0.897 55.650 54.840 -0.145 0.000 0.745 274 L CB -0.154 41.795 42.059 -0.184 0.000 0.898 274 L HN -0.025 nan 8.230 nan 0.000 0.433 275 I N -0.059 120.394 120.570 -0.194 0.000 2.208 275 I HA -0.367 3.803 4.170 0.001 0.000 0.245 275 I C 2.630 178.682 176.117 -0.107 0.000 1.097 275 I CA 1.441 62.599 61.300 -0.236 0.000 1.363 275 I CB -0.345 37.381 38.000 -0.456 0.000 1.051 275 I HN 0.281 nan 8.210 nan 0.000 0.413 276 K N 0.562 120.925 120.400 -0.063 0.000 2.057 276 K HA -0.161 4.160 4.320 0.001 0.000 0.207 276 K C 2.070 178.670 176.600 -0.000 0.000 1.049 276 K CA 1.914 58.217 56.287 0.026 0.000 0.931 276 K CB -0.052 32.408 32.500 -0.066 0.000 0.714 276 K HN 0.243 nan 8.250 nan 0.000 0.440 277 T N 0.649 115.170 114.554 -0.055 0.000 2.788 277 T HA -0.095 4.255 4.350 0.001 0.000 0.268 277 T C 1.835 176.502 174.700 -0.055 0.000 1.044 277 T CA 1.237 63.295 62.100 -0.070 0.000 1.139 277 T CB -0.200 68.606 68.868 -0.104 0.000 0.867 277 T HN 0.373 nan 8.240 nan 0.000 0.454 278 A N 0.930 123.716 122.820 -0.058 0.000 1.968 278 A HA 0.150 4.471 4.320 0.001 0.000 0.217 278 A C 2.186 179.759 177.584 -0.020 0.000 1.169 278 A CA 0.927 52.936 52.037 -0.046 0.000 0.638 278 A CB -0.587 18.373 19.000 -0.066 0.000 0.812 278 A HN 0.477 nan 8.150 nan 0.000 0.446 279 L N -0.420 120.800 121.223 -0.005 0.000 2.375 279 L HA 0.027 4.368 4.340 0.001 0.000 0.215 279 L C 0.310 177.201 176.870 0.035 0.000 1.108 279 L CA 0.221 55.069 54.840 0.013 0.000 0.830 279 L CB -0.224 41.847 42.059 0.020 0.000 0.959 279 L HN 0.154 nan 8.230 nan 0.000 0.457 280 T N 1.608 116.188 114.554 0.044 0.000 2.794 280 T HA 0.222 4.572 4.350 0.001 0.000 0.296 280 T C -2.292 172.447 174.700 0.065 0.000 0.949 280 T CA -1.119 61.014 62.100 0.055 0.000 1.101 280 T CB 1.043 69.944 68.868 0.054 0.000 0.905 280 T HN -0.135 nan 8.240 nan 0.000 0.516 281 P HA 0.118 nan 4.420 nan 0.000 0.265 281 P C -0.303 177.074 177.300 0.128 0.000 1.193 281 P CA 0.334 63.472 63.100 0.063 0.000 0.765 281 P CB 0.356 32.075 31.700 0.032 0.000 0.823 282 H N 1.960 121.025 119.070 -0.008 0.000 2.984 282 H HA 0.210 4.766 4.556 0.001 0.000 0.298 282 H C -2.948 172.375 175.328 -0.009 0.000 1.378 282 H CA -1.262 54.781 56.048 -0.009 0.000 1.241 282 H CB 1.587 31.343 29.762 -0.010 0.000 1.894 282 H HN 0.196 nan 8.280 nan 0.000 0.511 283 P HA 0.149 nan 4.420 nan 0.000 0.272 283 P C -2.507 174.910 177.300 0.194 0.000 1.240 283 P CA -1.337 61.810 63.100 0.079 0.000 0.791 283 P CB -0.260 31.434 31.700 -0.010 0.000 0.978 284 P HA -0.103 nan 4.420 nan 0.000 0.213 284 P C 0.566 177.900 177.300 0.058 0.000 1.492 284 P CA 0.544 63.682 63.100 0.063 0.000 1.034 284 P CB -0.481 31.239 31.700 0.033 0.000 1.816 285 Q N 1.267 121.112 119.800 0.075 0.000 2.418 285 Q HA 0.263 4.604 4.340 0.001 0.000 0.178 285 Q C -0.121 175.862 176.000 -0.028 0.000 1.141 285 Q CA -0.196 55.616 55.803 0.015 0.000 1.190 285 Q CB 0.533 29.217 28.738 -0.090 0.000 1.658 285 Q HN 0.105 nan 8.270 nan 0.000 0.626 286 K N -1.444 118.926 120.400 -0.051 0.000 2.466 286 K HA 0.262 4.582 4.320 0.001 0.000 0.260 286 K C 0.117 176.688 176.600 -0.049 0.000 1.011 286 K CA -0.818 55.445 56.287 -0.041 0.000 0.871 286 K CB 1.824 34.311 32.500 -0.022 0.000 1.404 286 K HN 0.466 nan 8.250 nan 0.000 0.450 287 Q N -0.538 119.251 119.800 -0.018 0.000 2.427 287 Q HA 0.333 4.674 4.340 0.001 0.000 0.249 287 Q C -0.631 175.401 176.000 0.054 0.000 0.783 287 Q CA 0.496 56.297 55.803 -0.003 0.000 0.978 287 Q CB 1.847 30.576 28.738 -0.015 0.000 1.273 287 Q HN 0.755 nan 8.270 nan 0.000 0.524 288 A N -1.426 121.457 122.820 0.105 0.000 2.301 288 A HA 0.301 4.622 4.320 0.001 0.000 0.288 288 A C -1.305 176.447 177.584 0.279 0.000 0.984 288 A CA -0.028 52.087 52.037 0.130 0.000 0.540 288 A CB -1.063 17.997 19.000 0.101 0.000 1.542 288 A HN 0.175 nan 8.150 nan 0.000 0.637 289 Y N -1.525 118.762 120.300 -0.022 0.000 4.916 289 Y HA -0.122 4.429 4.550 0.001 0.000 0.247 289 Y C 1.952 177.811 175.900 -0.068 0.000 0.962 289 Y CA 2.312 60.408 58.100 -0.006 0.000 1.933 289 Y CB -1.661 36.811 38.460 0.019 0.000 1.451 289 Y HN 2.743 nan 8.280 nan 0.000 0.539 290 G N -0.672 108.142 108.800 0.024 0.000 2.221 290 G HA2 -0.061 3.899 3.960 0.001 0.000 0.265 290 G HA3 -0.061 3.899 3.960 0.001 0.000 0.265 290 G C -0.352 174.448 174.900 -0.167 0.000 1.041 290 G CA 0.077 45.154 45.100 -0.038 0.000 0.807 290 G HN 0.899 nan 8.290 nan 0.000 0.502 291 V N -0.688 119.131 119.914 -0.157 0.000 2.656 291 V HA 0.804 4.924 4.120 0.001 0.000 0.307 291 V C 0.453 176.491 176.094 -0.092 0.000 1.051 291 V CA -0.258 61.907 62.300 -0.226 0.000 0.893 291 V CB 1.944 33.590 31.823 -0.296 0.000 0.999 291 V HN 0.464 nan 8.190 nan 0.000 0.426 292 T N 5.197 119.710 114.554 -0.069 0.000 2.845 292 T HA 0.757 5.107 4.350 0.001 0.000 0.288 292 T C -0.803 173.881 174.700 -0.026 0.000 0.980 292 T CA -0.146 61.934 62.100 -0.033 0.000 1.071 292 T CB 0.195 69.055 68.868 -0.014 0.000 0.941 292 T HN 0.506 nan 8.240 nan 0.000 0.487 293 L N 5.752 126.960 121.223 -0.025 0.000 2.393 293 L HA 0.524 4.865 4.340 0.001 0.000 0.260 293 L C -2.410 174.456 176.870 -0.007 0.000 1.002 293 L CA -2.661 52.164 54.840 -0.024 0.000 0.818 293 L CB 2.713 44.742 42.059 -0.049 0.000 1.369 293 L HN 0.465 nan 8.230 nan 0.000 0.412 294 P HA 0.426 nan 4.420 nan 0.000 0.275 294 P C -0.907 176.398 177.300 0.009 0.000 1.266 294 P CA -0.161 62.944 63.100 0.009 0.000 0.793 294 P CB 0.925 32.641 31.700 0.027 0.000 1.074 295 T N -1.778 112.778 114.554 0.003 0.000 2.665 295 T HA 0.210 4.561 4.350 0.001 0.000 0.303 295 T C 0.941 175.641 174.700 -0.000 0.000 1.334 295 T CA -0.437 61.667 62.100 0.006 0.000 1.011 295 T CB 0.602 69.477 68.868 0.012 0.000 1.573 295 T HN 0.039 nan 8.240 nan 0.000 0.492 296 S N -0.292 115.408 115.700 0.001 0.000 2.345 296 S HA 0.140 4.610 4.470 0.001 0.000 0.219 296 S C 0.629 175.228 174.600 -0.001 0.000 1.031 296 S CA 0.674 58.866 58.200 -0.012 0.000 0.984 296 S CB 0.057 63.249 63.200 -0.014 0.000 0.874 296 S HN 0.502 nan 8.310 nan 0.000 0.451 297 V N 1.743 121.676 119.914 0.031 0.000 2.638 297 V HA 0.510 4.631 4.120 0.001 0.000 0.306 297 V C -0.841 175.305 176.094 0.086 0.000 1.052 297 V CA -0.560 61.780 62.300 0.066 0.000 0.885 297 V CB 1.995 33.882 31.823 0.107 0.000 0.999 297 V HN 0.307 nan 8.190 nan 0.000 0.424 298 L N 4.888 126.158 121.223 0.078 0.000 2.349 298 L HA 0.641 4.981 4.340 0.001 0.000 0.278 298 L C -1.753 175.167 176.870 0.083 0.000 0.996 298 L CA -0.510 54.370 54.840 0.066 0.000 0.825 298 L CB 1.718 43.775 42.059 -0.003 0.000 1.243 298 L HN 0.714 nan 8.230 nan 0.000 0.412 299 F N 6.115 126.032 119.950 -0.054 0.000 2.444 299 F HA 0.593 5.121 4.527 0.001 0.000 0.342 299 F C -0.702 175.033 175.800 -0.108 0.000 1.121 299 F CA -0.532 57.374 58.000 -0.157 0.000 0.997 299 F CB 1.258 40.080 39.000 -0.297 0.000 1.130 299 F HN 0.243 nan 8.300 nan 0.000 0.454 300 I N 6.232 126.427 120.570 -0.625 0.000 2.382 300 I HA 0.441 4.612 4.170 0.001 0.000 0.286 300 I C -0.447 175.431 176.117 -0.397 0.000 1.002 300 I CA -0.884 60.227 61.300 -0.315 0.000 1.135 300 I CB 1.710 39.595 38.000 -0.192 0.000 1.288 300 I HN 0.735 nan 8.210 nan 0.000 0.448 301 A N 5.297 128.057 122.820 -0.101 0.000 2.316 301 A HA 0.766 5.087 4.320 0.001 0.000 0.311 301 A C 0.370 177.880 177.584 -0.123 0.000 1.339 301 A CA -0.073 51.916 52.037 -0.079 0.000 0.960 301 A CB 0.131 19.171 19.000 0.067 0.000 1.152 301 A HN 0.883 nan 8.150 nan 0.000 0.547 302 G N 1.107 109.855 108.800 -0.088 0.000 3.264 302 G HA2 0.633 4.593 3.960 0.001 0.000 0.168 302 G HA3 0.633 4.593 3.960 0.001 0.000 0.168 302 G C -0.343 174.387 174.900 -0.283 0.000 1.145 302 G CA -0.401 44.645 45.100 -0.090 0.000 0.855 302 G HN 0.759 nan 8.290 nan 0.000 0.629 303 H N -0.712 118.400 119.070 0.071 0.000 2.869 303 H HA 0.232 4.788 4.556 0.001 0.000 0.342 303 H C 0.446 175.805 175.328 0.051 0.000 1.250 303 H CA 0.020 56.073 56.048 0.009 0.000 1.217 303 H CB 2.114 31.946 29.762 0.116 0.000 1.917 303 H HN 0.551 nan 8.280 nan 0.000 0.586 304 D N -0.310 120.213 120.400 0.205 0.000 2.144 304 D HA -0.186 4.454 4.640 0.001 0.000 0.199 304 D C 1.725 178.268 176.300 0.406 0.000 0.984 304 D CA 1.986 56.132 54.000 0.244 0.000 0.834 304 D CB -0.906 40.006 40.800 0.187 0.000 0.955 304 D HN 0.621 nan 8.370 nan 0.000 0.465 305 T N -1.351 113.451 114.554 0.414 0.000 2.759 305 T HA -0.228 4.123 4.350 0.001 0.000 0.269 305 T C 1.705 176.529 174.700 0.208 0.000 1.042 305 T CA 1.634 63.889 62.100 0.258 0.000 1.140 305 T CB -0.981 67.926 68.868 0.066 0.000 0.864 305 T HN 0.272 nan 8.240 nan 0.000 0.455 306 N N 1.396 120.237 118.700 0.235 0.000 2.120 306 N HA 0.078 4.818 4.740 0.001 0.000 0.188 306 N C 1.916 177.554 175.510 0.214 0.000 1.024 306 N CA 1.167 54.344 53.050 0.213 0.000 0.852 306 N CB -0.450 38.199 38.487 0.271 0.000 1.003 306 N HN 0.292 nan 8.380 nan 0.000 0.424 307 L N 0.563 121.933 121.223 0.244 0.000 2.046 307 L HA -0.140 4.201 4.340 0.001 0.000 0.208 307 L C 2.531 179.619 176.870 0.362 0.000 1.077 307 L CA 1.072 56.091 54.840 0.299 0.000 0.747 307 L CB -0.558 41.678 42.059 0.295 0.000 0.896 307 L HN 0.252 nan 8.230 nan 0.000 0.432 308 A N 0.238 123.237 122.820 0.297 0.000 1.930 308 A HA -0.197 4.124 4.320 0.001 0.000 0.217 308 A C 1.987 179.646 177.584 0.125 0.000 1.175 308 A CA 1.890 54.048 52.037 0.202 0.000 0.627 308 A CB -0.766 18.403 19.000 0.282 0.000 0.815 308 A HN 0.516 nan 8.150 nan 0.000 0.443 309 N N -0.092 118.680 118.700 0.120 0.000 2.120 309 N HA -0.099 4.642 4.740 0.001 0.000 0.188 309 N C 1.626 177.192 175.510 0.095 0.000 1.024 309 N CA 1.316 54.406 53.050 0.067 0.000 0.852 309 N CB -0.294 38.225 38.487 0.053 0.000 1.003 309 N HN 0.409 nan 8.380 nan 0.000 0.424 310 L N 0.421 121.739 121.223 0.158 0.000 2.046 310 L HA -0.097 4.244 4.340 0.001 0.000 0.208 310 L C 2.602 179.616 176.870 0.240 0.000 1.077 310 L CA 1.193 56.156 54.840 0.205 0.000 0.747 310 L CB -0.733 41.495 42.059 0.282 0.000 0.896 310 L HN 0.295 nan 8.230 nan 0.000 0.432 311 G N -0.608 108.355 108.800 0.270 0.000 2.418 311 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 311 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 311 G C 1.581 176.534 174.900 0.088 0.000 1.158 311 G CA 0.691 45.932 45.100 0.235 0.000 0.771 311 G HN 0.487 nan 8.290 nan 0.000 0.545 312 G N 0.991 109.812 108.800 0.034 0.000 2.418 312 G HA2 0.073 4.034 3.960 0.001 0.000 0.217 312 G HA3 0.073 4.034 3.960 0.001 0.000 0.217 312 G C 2.006 176.914 174.900 0.013 0.000 1.158 312 G CA 1.478 46.573 45.100 -0.009 0.000 0.771 312 G HN 0.624 nan 8.290 nan 0.000 0.545 313 A N 0.006 122.848 122.820 0.037 0.000 1.929 313 A HA 0.228 4.549 4.320 0.001 0.000 0.216 313 A C 2.024 179.639 177.584 0.051 0.000 1.176 313 A CA 0.950 53.004 52.037 0.029 0.000 0.628 313 A CB -0.175 18.839 19.000 0.024 0.000 0.816 313 A HN 0.285 nan 8.150 nan 0.000 0.444 314 L N -0.110 121.177 121.223 0.107 0.000 2.592 314 L HA 0.168 4.509 4.340 0.001 0.000 0.227 314 L C 0.211 177.160 176.870 0.131 0.000 1.127 314 L CA 0.569 55.494 54.840 0.142 0.000 0.884 314 L CB -1.153 41.060 42.059 0.256 0.000 1.065 314 L HN 0.516 nan 8.230 nan 0.000 0.457 315 E N 0.081 120.338 120.200 0.096 0.000 2.320 315 E HA -0.235 4.116 4.350 0.001 0.000 0.234 315 E C -0.395 176.272 176.600 0.112 0.000 1.183 315 E CA 0.153 56.600 56.400 0.078 0.000 0.713 315 E CB -1.701 28.038 29.700 0.065 0.000 1.226 315 E HN 0.324 nan 8.360 nan 0.000 0.382 316 L N 1.227 122.540 121.223 0.150 0.000 2.287 316 L HA 0.417 4.757 4.340 0.001 0.000 0.287 316 L C 0.474 177.436 176.870 0.153 0.000 1.022 316 L CA -0.582 54.398 54.840 0.234 0.000 0.814 316 L CB 0.988 43.281 42.059 0.390 0.000 1.217 316 L HN 0.075 nan 8.230 nan 0.000 0.420 317 N N 3.092 121.874 118.700 0.137 0.000 2.319 317 N HA 0.624 5.365 4.740 0.001 0.000 0.305 317 N C -1.420 174.191 175.510 0.168 0.000 1.103 317 N CA -0.376 52.656 53.050 -0.030 0.000 0.815 317 N CB 2.783 41.259 38.487 -0.019 0.000 1.288 317 N HN 0.557 nan 8.380 nan 0.000 0.493 318 W N -0.508 120.790 121.300 -0.003 0.000 3.161 318 W HA 0.461 5.122 4.660 0.002 0.000 0.314 318 W C -1.539 174.944 176.519 -0.061 0.000 1.245 318 W CA -0.794 56.531 57.345 -0.034 0.000 1.191 318 W CB 0.510 29.939 29.460 -0.053 0.000 1.392 318 W HN 0.300 nan 8.180 nan 0.000 0.568 319 T N 2.348 117.035 114.554 0.220 0.000 2.876 319 T HA 0.719 5.069 4.350 0.001 0.000 0.289 319 T C -1.522 173.209 174.700 0.052 0.000 1.014 319 T CA -0.695 61.461 62.100 0.093 0.000 0.986 319 T CB 0.676 69.565 68.868 0.035 0.000 1.021 319 T HN 0.610 nan 8.240 nan 0.000 0.458 320 L N 6.711 127.880 121.223 -0.090 0.000 2.294 320 L HA 0.457 4.797 4.340 0.001 0.000 0.283 320 L C -2.093 174.701 176.870 -0.127 0.000 1.015 320 L CA -2.235 52.365 54.840 -0.399 0.000 0.831 320 L CB 1.656 43.040 42.059 -1.124 0.000 1.217 320 L HN 0.479 nan 8.230 nan 0.000 0.420 321 P HA 0.048 nan 4.420 nan 0.000 0.267 321 P C 0.897 178.335 177.300 0.231 0.000 1.209 321 P CA 0.772 63.962 63.100 0.151 0.000 0.763 321 P CB 1.286 33.078 31.700 0.152 0.000 0.816 322 G N 2.278 111.153 108.800 0.126 0.000 2.241 322 G HA2 -0.229 3.731 3.960 0.001 0.000 0.244 322 G HA3 -0.229 3.731 3.960 0.001 0.000 0.244 322 G C 0.121 175.078 174.900 0.095 0.000 0.998 322 G CA 0.114 45.278 45.100 0.106 0.000 0.621 322 G HN 0.705 nan 8.290 nan 0.000 0.519 323 Q N 1.021 120.884 119.800 0.106 0.000 2.363 323 Q HA 0.604 4.944 4.340 0.001 0.000 0.265 323 Q C -1.232 174.755 176.000 -0.022 0.000 1.032 323 Q CA -1.992 53.831 55.803 0.034 0.000 0.746 323 Q CB 2.250 31.023 28.738 0.059 0.000 1.237 323 Q HN 0.195 nan 8.270 nan 0.000 0.475 324 P HA -0.054 nan 4.420 nan 0.000 0.223 324 P C -0.309 177.014 177.300 0.039 0.000 1.151 324 P CA 0.548 63.673 63.100 0.041 0.000 0.787 324 P CB 0.447 32.215 31.700 0.113 0.000 0.788 325 D N 0.279 120.687 120.400 0.014 0.000 2.274 325 D HA 0.063 4.703 4.640 0.001 0.000 0.239 325 D C 0.918 177.224 176.300 0.009 0.000 1.104 325 D CA -0.392 53.621 54.000 0.023 0.000 0.840 325 D CB 0.431 41.224 40.800 -0.011 0.000 1.100 325 D HN -0.235 nan 8.370 nan 0.000 0.477 326 N N 1.618 120.331 118.700 0.022 0.000 2.381 326 N HA -0.086 4.655 4.740 0.001 0.000 0.182 326 N C 0.465 176.115 175.510 0.232 0.000 1.025 326 N CA 0.818 53.927 53.050 0.098 0.000 0.888 326 N CB 0.144 38.607 38.487 -0.041 0.000 0.965 326 N HN 0.509 nan 8.380 nan 0.000 0.438 327 T N -0.925 113.675 114.554 0.076 0.000 3.514 327 T HA 0.277 4.628 4.350 0.001 0.000 0.259 327 T C -2.889 171.822 174.700 0.017 0.000 1.466 327 T CA -1.773 60.380 62.100 0.089 0.000 1.562 327 T CB 1.573 70.451 68.868 0.017 0.000 0.924 327 T HN -0.062 nan 8.240 nan 0.000 0.678 328 P HA 0.248 nan 4.420 nan 0.000 0.272 328 P C -2.603 174.705 177.300 0.013 0.000 1.223 328 P CA -1.399 61.711 63.100 0.016 0.000 0.784 328 P CB 0.100 31.827 31.700 0.044 0.000 0.923 329 P HA -0.052 nan 4.420 nan 0.000 0.265 329 P C 1.105 178.436 177.300 0.051 0.000 1.193 329 P CA 1.227 64.335 63.100 0.015 0.000 0.765 329 P CB -0.213 31.528 31.700 0.067 0.000 0.823 330 G N 2.136 110.964 108.800 0.047 0.000 2.212 330 G HA2 -0.226 3.735 3.960 0.001 0.000 0.266 330 G HA3 -0.226 3.735 3.960 0.001 0.000 0.266 330 G C 0.640 175.597 174.900 0.096 0.000 0.978 330 G CA 0.049 45.210 45.100 0.102 0.000 0.632 330 G HN 0.905 nan 8.290 nan 0.000 0.537 331 G N 0.111 108.950 108.800 0.065 0.000 2.391 331 G HA2 0.423 4.383 3.960 0.001 0.000 0.234 331 G HA3 0.423 4.383 3.960 0.001 0.000 0.234 331 G C -0.092 174.819 174.900 0.019 0.000 1.284 331 G CA 0.419 45.558 45.100 0.065 0.000 0.873 331 G HN 0.582 nan 8.290 nan 0.000 0.549 332 E N 1.084 121.287 120.200 0.006 0.000 2.234 332 E HA 0.281 4.632 4.350 0.001 0.000 0.266 332 E C -0.794 175.734 176.600 -0.120 0.000 0.877 332 E CA -0.707 55.669 56.400 -0.040 0.000 0.758 332 E CB 2.597 32.316 29.700 0.031 0.000 1.170 332 E HN 0.271 nan 8.360 nan 0.000 0.415 333 L N 3.993 125.136 121.223 -0.134 0.000 2.264 333 L HA 0.336 4.677 4.340 0.001 0.000 0.287 333 L C -1.027 175.735 176.870 -0.181 0.000 1.039 333 L CA -0.775 53.924 54.840 -0.235 0.000 0.829 333 L CB 0.943 42.936 42.059 -0.109 0.000 1.211 333 L HN 0.340 nan 8.230 nan 0.000 0.427 334 V N 5.316 125.082 119.914 -0.247 0.000 2.370 334 V HA 0.328 4.448 4.120 0.001 0.000 0.279 334 V C -0.255 175.693 176.094 -0.242 0.000 1.029 334 V CA -0.320 61.909 62.300 -0.118 0.000 0.870 334 V CB 1.148 32.958 31.823 -0.023 0.000 0.984 334 V HN 0.405 nan 8.190 nan 0.000 0.451 335 F N 3.087 123.018 119.950 -0.031 0.000 2.436 335 F HA 0.603 5.130 4.527 0.000 0.000 0.340 335 F C 0.582 176.356 175.800 -0.044 0.000 1.113 335 F CA -0.411 57.554 58.000 -0.058 0.000 1.022 335 F CB 1.505 40.454 39.000 -0.085 0.000 1.128 335 F HN 0.471 nan 8.300 nan 0.000 0.466 336 E N 2.029 122.311 120.200 0.136 0.000 2.317 336 E HA 0.461 4.812 4.350 0.001 0.000 0.270 336 E C -1.108 175.560 176.600 0.113 0.000 0.885 336 E CA -1.260 55.192 56.400 0.087 0.000 0.760 336 E CB 2.960 32.758 29.700 0.164 0.000 1.227 336 E HN 0.461 nan 8.360 nan 0.000 0.434 337 R N 2.508 123.002 120.500 -0.009 0.000 2.343 337 R HA 0.397 4.737 4.340 0.001 0.000 0.320 337 R C -1.662 174.650 176.300 0.020 0.000 0.956 337 R CA -0.517 55.625 56.100 0.070 0.000 0.836 337 R CB 0.777 31.088 30.300 0.018 0.000 1.151 337 R HN 0.469 nan 8.270 nan 0.000 0.450 338 W N 3.676 125.037 121.300 0.101 0.000 2.632 338 W HA 0.473 5.134 4.660 0.001 0.000 0.328 338 W C 0.047 176.673 176.519 0.177 0.000 1.044 338 W CA -0.747 56.666 57.345 0.113 0.000 1.225 338 W CB 1.330 30.849 29.460 0.098 0.000 1.396 338 W HN 0.241 nan 8.180 nan 0.000 0.499 339 R N 3.243 123.946 120.500 0.339 0.000 2.346 339 R HA 0.407 4.748 4.340 0.001 0.000 0.311 339 R C -0.296 176.177 176.300 0.288 0.000 0.983 339 R CA -0.962 55.307 56.100 0.282 0.000 0.880 339 R CB 1.072 31.466 30.300 0.156 0.000 1.100 339 R HN 0.665 nan 8.270 nan 0.000 0.453 340 R N 5.532 126.220 120.500 0.313 0.000 2.248 340 R HA 0.117 4.457 4.340 0.001 0.000 0.337 340 R C 1.196 177.585 176.300 0.148 0.000 1.106 340 R CA -0.178 56.044 56.100 0.203 0.000 0.959 340 R CB 0.283 30.705 30.300 0.202 0.000 1.075 340 R HN 0.766 nan 8.270 nan 0.000 0.480 341 L N 2.324 123.613 121.223 0.109 0.000 2.064 341 L HA -0.373 3.967 4.340 0.001 0.000 0.216 341 L C 2.345 179.256 176.870 0.068 0.000 1.077 341 L CA 1.984 56.872 54.840 0.080 0.000 0.766 341 L CB -0.842 41.254 42.059 0.062 0.000 0.890 341 L HN 0.755 nan 8.230 nan 0.000 0.435 342 S N 1.093 116.830 115.700 0.062 0.000 2.426 342 S HA -0.244 4.227 4.470 0.001 0.000 0.220 342 S C 1.446 176.085 174.600 0.065 0.000 1.040 342 S CA 1.528 59.759 58.200 0.052 0.000 1.094 342 S CB -0.812 62.413 63.200 0.042 0.000 1.072 342 S HN 0.638 nan 8.310 nan 0.000 0.415 343 D N 0.195 120.648 120.400 0.089 0.000 2.339 343 D HA 0.145 4.785 4.640 0.001 0.000 0.217 343 D C 0.177 176.537 176.300 0.100 0.000 1.050 343 D CA 0.098 54.154 54.000 0.092 0.000 0.856 343 D CB -1.155 39.712 40.800 0.112 0.000 0.922 343 D HN 0.379 nan 8.370 nan 0.000 0.518 344 N N -0.134 118.633 118.700 0.112 0.000 2.735 344 N HA -0.194 4.546 4.740 0.001 0.000 0.248 344 N C -0.841 174.741 175.510 0.120 0.000 1.083 344 N CA 0.918 54.033 53.050 0.107 0.000 0.703 344 N CB -1.404 37.124 38.487 0.069 0.000 1.005 344 N HN 0.519 nan 8.380 nan 0.000 0.550 345 S N -1.313 114.502 115.700 0.191 0.000 2.652 345 S HA 0.533 5.003 4.470 0.001 0.000 0.270 345 S C 0.018 174.697 174.600 0.131 0.000 1.243 345 S CA -0.757 57.528 58.200 0.142 0.000 0.999 345 S CB 1.991 65.329 63.200 0.231 0.000 0.973 345 S HN 0.115 nan 8.310 nan 0.000 0.544 346 Q N 0.702 120.420 119.800 -0.137 0.000 2.256 346 Q HA 0.460 4.801 4.340 0.001 0.000 0.257 346 Q C -1.551 174.195 176.000 -0.424 0.000 0.936 346 Q CA 0.008 55.751 55.803 -0.100 0.000 0.903 346 Q CB 1.421 30.119 28.738 -0.067 0.000 1.263 346 Q HN 0.841 nan 8.270 nan 0.000 0.440 347 W N 1.791 123.157 121.300 0.111 0.000 2.962 347 W HA 0.600 5.260 4.660 0.000 0.000 0.341 347 W C -0.714 175.873 176.519 0.114 0.000 1.155 347 W CA -0.494 56.912 57.345 0.101 0.000 1.165 347 W CB 1.054 30.563 29.460 0.083 0.000 1.435 347 W HN 0.336 nan 8.180 nan 0.000 0.546 348 I N 1.586 122.309 120.570 0.255 0.000 2.545 348 I HA 0.317 4.487 4.170 0.001 0.000 0.292 348 I C -0.389 175.792 176.117 0.108 0.000 1.040 348 I CA -0.962 60.395 61.300 0.094 0.000 1.068 348 I CB 2.017 39.849 38.000 -0.279 0.000 1.251 348 I HN 0.365 nan 8.210 nan 0.000 0.424 349 Q N 4.707 124.587 119.800 0.133 0.000 2.365 349 Q HA 0.834 5.174 4.340 0.001 0.000 0.269 349 Q C -1.904 174.085 176.000 -0.019 0.000 1.061 349 Q CA -0.708 55.138 55.803 0.072 0.000 0.816 349 Q CB 2.409 31.210 28.738 0.104 0.000 1.325 349 Q HN 0.505 nan 8.270 nan 0.000 0.446 350 V N 1.924 121.781 119.914 -0.096 0.000 2.680 350 V HA 0.696 4.817 4.120 0.001 0.000 0.309 350 V C -0.737 175.233 176.094 -0.207 0.000 1.052 350 V CA -0.525 61.610 62.300 -0.274 0.000 0.908 350 V CB 2.044 33.665 31.823 -0.337 0.000 1.001 350 V HN 0.865 nan 8.190 nan 0.000 0.431 351 S N 3.739 119.276 115.700 -0.272 0.000 2.607 351 S HA 0.654 5.124 4.470 0.001 0.000 0.273 351 S C -1.608 172.815 174.600 -0.295 0.000 1.148 351 S CA -0.562 57.519 58.200 -0.199 0.000 0.833 351 S CB 2.071 65.222 63.200 -0.081 0.000 1.130 351 S HN 0.558 nan 8.310 nan 0.000 0.470 352 L N 3.027 124.078 121.223 -0.287 0.000 2.318 352 L HA 0.619 4.960 4.340 0.001 0.000 0.277 352 L C -1.315 175.534 176.870 -0.034 0.000 1.008 352 L CA -0.526 54.090 54.840 -0.373 0.000 0.846 352 L CB 0.918 42.478 42.059 -0.832 0.000 1.220 352 L HN 0.534 nan 8.230 nan 0.000 0.423 353 V N 6.995 126.917 119.914 0.013 0.000 2.439 353 V HA 0.562 4.682 4.120 0.001 0.000 0.282 353 V C -0.109 176.087 176.094 0.170 0.000 1.039 353 V CA -0.331 62.012 62.300 0.072 0.000 0.913 353 V CB 1.335 33.185 31.823 0.046 0.000 0.983 353 V HN 0.675 nan 8.190 nan 0.000 0.460 354 F N 1.885 121.780 119.950 -0.092 0.000 2.711 354 F HA 0.709 5.237 4.527 0.001 0.000 0.313 354 F C -0.832 174.930 175.800 -0.062 0.000 1.141 354 F CA -1.287 56.675 58.000 -0.064 0.000 0.941 354 F CB 1.748 40.707 39.000 -0.068 0.000 1.349 354 F HN 0.307 nan 8.300 nan 0.000 0.464 355 Q N 1.630 121.435 119.800 0.008 0.000 2.271 355 Q HA 0.430 4.770 4.340 0.001 0.000 0.258 355 Q C -0.316 175.722 176.000 0.063 0.000 0.936 355 Q CA -1.014 54.744 55.803 -0.075 0.000 0.909 355 Q CB 2.033 30.779 28.738 0.013 0.000 1.253 355 Q HN 0.814 nan 8.270 nan 0.000 0.440 356 T N -0.781 113.752 114.554 -0.034 0.000 2.855 356 T HA -0.003 4.348 4.350 0.001 0.000 0.314 356 T C 1.016 175.731 174.700 0.026 0.000 1.077 356 T CA -0.608 61.539 62.100 0.079 0.000 1.095 356 T CB 0.521 69.390 68.868 0.002 0.000 0.987 356 T HN 0.536 nan 8.240 nan 0.000 0.546 357 L N 0.769 121.984 121.223 -0.013 0.000 2.127 357 L HA -0.046 4.295 4.340 0.001 0.000 0.211 357 L C 2.677 179.474 176.870 -0.121 0.000 1.089 357 L CA 1.832 56.605 54.840 -0.112 0.000 0.757 357 L CB -1.223 40.682 42.059 -0.256 0.000 0.899 357 L HN 0.885 nan 8.230 nan 0.000 0.434 358 Q N -0.427 119.314 119.800 -0.098 0.000 2.046 358 Q HA -0.214 4.127 4.340 0.001 0.000 0.200 358 Q C 2.278 178.250 176.000 -0.047 0.000 0.975 358 Q CA 1.821 57.577 55.803 -0.079 0.000 0.836 358 Q CB -0.299 28.402 28.738 -0.062 0.000 0.896 358 Q HN 0.622 nan 8.270 nan 0.000 0.428 359 Q N -0.972 118.805 119.800 -0.038 0.000 2.308 359 Q HA -0.164 4.177 4.340 0.001 0.000 0.209 359 Q C 1.883 177.893 176.000 0.017 0.000 0.985 359 Q CA 1.454 57.246 55.803 -0.019 0.000 0.881 359 Q CB -0.050 28.662 28.738 -0.043 0.000 0.917 359 Q HN 0.465 nan 8.270 nan 0.000 0.443 360 M N -1.069 118.532 119.600 0.002 0.000 2.325 360 M HA -0.058 4.422 4.480 0.001 0.000 0.265 360 M C 2.164 178.466 176.300 0.003 0.000 1.094 360 M CA 0.672 55.982 55.300 0.016 0.000 1.161 360 M CB 0.010 32.611 32.600 0.002 0.000 1.358 360 M HN -0.000 nan 8.290 nan 0.000 0.446 361 R N 1.139 121.620 120.500 -0.031 0.000 2.083 361 R HA -0.140 4.200 4.340 0.001 0.000 0.237 361 R C 0.845 177.140 176.300 -0.010 0.000 1.137 361 R CA 1.677 57.756 56.100 -0.035 0.000 0.951 361 R CB -0.646 29.615 30.300 -0.066 0.000 0.851 361 R HN 0.353 nan 8.270 nan 0.000 0.434 362 D N 0.474 120.872 120.400 -0.003 0.000 2.340 362 D HA -0.043 4.597 4.640 0.001 0.000 0.220 362 D C 0.382 176.708 176.300 0.043 0.000 1.039 362 D CA 0.061 54.067 54.000 0.010 0.000 0.866 362 D CB -0.098 40.700 40.800 -0.002 0.000 0.913 362 D HN 0.153 nan 8.370 nan 0.000 0.523 363 K N 1.368 121.811 120.400 0.071 0.000 3.078 363 K HA -0.204 4.116 4.320 0.001 0.000 0.261 363 K C -0.275 176.469 176.600 0.240 0.000 0.947 363 K CA 0.558 56.945 56.287 0.167 0.000 0.702 363 K CB -1.518 31.062 32.500 0.133 0.000 1.318 363 K HN 0.235 nan 8.250 nan 0.000 0.473 364 T N 1.368 115.986 114.554 0.107 0.000 2.799 364 T HA 0.274 4.624 4.350 0.001 0.000 0.296 364 T C -1.907 172.673 174.700 -0.199 0.000 0.947 364 T CA -1.480 60.607 62.100 -0.022 0.000 1.141 364 T CB 0.921 69.760 68.868 -0.049 0.000 0.891 364 T HN 0.179 nan 8.240 nan 0.000 0.533 365 P HA 0.184 nan 4.420 nan 0.000 0.268 365 P C -0.521 176.482 177.300 -0.495 0.000 1.208 365 P CA -0.271 62.131 63.100 -1.163 0.000 0.777 365 P CB 0.690 31.881 31.700 -0.848 0.000 0.875 366 L N 1.254 122.271 121.223 -0.344 0.000 2.322 366 L HA 0.689 5.030 4.340 0.001 0.000 0.269 366 L C 0.767 177.707 176.870 0.117 0.000 1.012 366 L CA -0.477 54.324 54.840 -0.066 0.000 0.815 366 L CB 1.812 43.868 42.059 -0.004 0.000 1.295 366 L HN 0.612 nan 8.230 nan 0.000 0.438 367 S N -0.232 115.559 115.700 0.151 0.000 2.643 367 S HA 0.374 4.845 4.470 0.001 0.000 0.266 367 S C 0.303 175.040 174.600 0.229 0.000 1.130 367 S CA -0.965 57.350 58.200 0.191 0.000 0.817 367 S CB 0.746 64.005 63.200 0.097 0.000 1.107 367 S HN 0.497 nan 8.310 nan 0.000 0.471 368 L N 0.801 122.115 121.223 0.152 0.000 2.079 368 L HA -0.107 4.233 4.340 0.001 0.000 0.210 368 L C 2.297 179.216 176.870 0.083 0.000 1.081 368 L CA 1.713 56.640 54.840 0.146 0.000 0.752 368 L CB -1.004 41.077 42.059 0.038 0.000 0.896 368 L HN 0.670 nan 8.230 nan 0.000 0.433 369 N N -0.780 117.946 118.700 0.043 0.000 2.120 369 N HA -0.102 4.638 4.740 0.001 0.000 0.188 369 N C 0.400 175.908 175.510 -0.002 0.000 1.024 369 N CA 1.179 54.237 53.050 0.013 0.000 0.852 369 N CB 0.114 38.603 38.487 0.003 0.000 1.003 369 N HN 0.143 nan 8.380 nan 0.000 0.424 370 T N 2.258 116.808 114.554 -0.007 0.000 3.401 370 T HA 0.258 4.608 4.350 0.001 0.000 0.341 370 T C -2.732 171.918 174.700 -0.084 0.000 1.674 370 T CA -1.240 60.831 62.100 -0.048 0.000 1.600 370 T CB 1.622 70.454 68.868 -0.060 0.000 0.974 370 T HN 0.082 nan 8.240 nan 0.000 0.672 371 P HA 0.342 nan 4.420 nan 0.000 0.274 371 P C -2.677 174.381 177.300 -0.402 0.000 1.256 371 P CA -1.393 61.518 63.100 -0.316 0.000 0.795 371 P CB 0.325 31.887 31.700 -0.230 0.000 1.038 372 P HA 0.150 nan 4.420 nan 0.000 0.279 372 P C 0.324 177.259 177.300 -0.608 0.000 1.276 372 P CA -0.073 62.715 63.100 -0.519 0.000 0.801 372 P CB 0.298 31.701 31.700 -0.496 0.000 1.127 373 G N -0.087 108.170 108.800 -0.905 0.000 2.614 373 G HA2 0.263 4.224 3.960 0.001 0.000 0.239 373 G HA3 0.263 4.224 3.960 0.001 0.000 0.239 373 G C -0.707 173.639 174.900 -0.924 0.000 1.240 373 G CA -0.049 44.359 45.100 -1.153 0.000 0.842 373 G HN 0.663 nan 8.290 nan 0.000 0.584 374 E N -0.289 119.732 120.200 -0.298 0.000 2.307 374 E HA 0.402 4.753 4.350 0.001 0.000 0.280 374 E C -1.630 175.042 176.600 0.120 0.000 0.900 374 E CA -0.592 55.797 56.400 -0.018 0.000 0.790 374 E CB 2.098 31.759 29.700 -0.065 0.000 1.261 374 E HN 0.291 nan 8.360 nan 0.000 0.405 375 V N 4.886 124.887 119.914 0.145 0.000 2.407 375 V HA 0.334 4.455 4.120 0.001 0.000 0.291 375 V C -0.250 175.843 176.094 -0.002 0.000 1.018 375 V CA -0.872 61.474 62.300 0.076 0.000 0.842 375 V CB 1.607 33.474 31.823 0.073 0.000 0.996 375 V HN 0.586 nan 8.190 nan 0.000 0.426 376 K N 4.609 125.012 120.400 0.005 0.000 2.349 376 K HA 0.387 4.707 4.320 0.001 0.000 0.288 376 K C -0.812 175.787 176.600 -0.002 0.000 1.058 376 K CA -0.539 55.739 56.287 -0.016 0.000 0.953 376 K CB 0.767 33.256 32.500 -0.018 0.000 0.997 376 K HN 0.276 nan 8.250 nan 0.000 0.477 377 L N 1.709 122.920 121.223 -0.019 0.000 2.416 377 L HA 0.350 4.691 4.340 0.001 0.000 0.262 377 L C 0.650 177.545 176.870 0.042 0.000 1.093 377 L CA -0.057 54.801 54.840 0.031 0.000 0.801 377 L CB 1.351 43.422 42.059 0.020 0.000 1.191 377 L HN 0.572 nan 8.230 nan 0.000 0.459 378 T N 1.970 116.570 114.554 0.078 0.000 2.841 378 T HA 0.531 4.881 4.350 0.001 0.000 0.285 378 T C -0.566 174.199 174.700 0.108 0.000 0.991 378 T CA -0.555 61.592 62.100 0.079 0.000 0.966 378 T CB 0.327 69.235 68.868 0.067 0.000 0.962 378 T HN 0.349 nan 8.240 nan 0.000 0.438 379 L N 5.297 126.595 121.223 0.126 0.000 2.433 379 L HA 0.330 4.670 4.340 0.001 0.000 0.284 379 L C 1.962 178.903 176.870 0.119 0.000 1.120 379 L CA -0.527 54.404 54.840 0.152 0.000 0.879 379 L CB 0.385 42.568 42.059 0.206 0.000 1.232 379 L HN 0.960 nan 8.230 nan 0.000 0.454 380 A N 3.381 126.262 122.820 0.102 0.000 1.958 380 A HA -0.188 4.133 4.320 0.001 0.000 0.221 380 A C 2.078 179.705 177.584 0.072 0.000 1.178 380 A CA 1.999 54.082 52.037 0.078 0.000 0.642 380 A CB -0.639 18.401 19.000 0.067 0.000 0.816 380 A HN 0.839 nan 8.150 nan 0.000 0.453 381 G N -2.047 106.798 108.800 0.076 0.000 2.920 381 G HA2 0.172 4.133 3.960 0.001 0.000 0.208 381 G HA3 0.172 4.133 3.960 0.001 0.000 0.208 381 G C 0.495 175.439 174.900 0.074 0.000 1.159 381 G CA 0.574 45.712 45.100 0.063 0.000 0.784 381 G HN 0.544 nan 8.290 nan 0.000 0.535 382 c N 0.708 119.367 118.600 0.097 0.000 2.499 382 c HA 0.559 5.130 4.570 0.001 0.000 0.386 382 c C 1.503 175.651 174.090 0.096 0.000 1.293 382 c CA -0.457 55.939 56.329 0.111 0.000 1.884 382 c CB 1.281 43.881 42.510 0.150 0.000 2.509 382 c HN 0.531 nan 8.230 nan 0.000 0.566 383 E N 2.168 122.421 120.200 0.089 0.000 2.175 383 E HA 0.077 4.427 4.350 0.001 0.000 0.195 383 E C 0.674 177.336 176.600 0.104 0.000 0.934 383 E CA 0.606 57.054 56.400 0.080 0.000 0.870 383 E CB -0.090 29.646 29.700 0.060 0.000 0.838 383 E HN 0.838 nan 8.360 nan 0.000 0.474 384 E N 1.565 121.837 120.200 0.119 0.000 1.944 384 E HA 0.094 4.445 4.350 0.001 0.000 0.272 384 E C -0.688 176.090 176.600 0.298 0.000 1.195 384 E CA -0.099 56.403 56.400 0.170 0.000 0.926 384 E CB 0.146 29.913 29.700 0.110 0.000 1.051 384 E HN 0.044 nan 8.360 nan 0.000 0.404 385 R N 2.790 123.461 120.500 0.284 0.000 2.832 385 R HA 0.339 4.679 4.340 0.001 0.000 0.271 385 R C -0.186 176.192 176.300 0.129 0.000 0.996 385 R CA -1.028 55.240 56.100 0.281 0.000 0.977 385 R CB 1.024 31.399 30.300 0.125 0.000 1.168 385 R HN 0.514 nan 8.270 nan 0.000 0.482 386 N N 0.146 118.721 118.700 -0.208 0.000 2.530 386 N HA 0.279 5.019 4.740 0.001 0.000 0.283 386 N C 0.572 175.883 175.510 -0.333 0.000 1.238 386 N CA -0.426 52.260 53.050 -0.606 0.000 0.971 386 N CB 0.377 37.994 38.487 -1.450 0.000 1.195 386 N HN 0.518 nan 8.380 nan 0.000 0.583 387 A N -0.105 122.522 122.820 -0.321 0.000 1.884 387 A HA -0.280 4.041 4.320 0.001 0.000 0.219 387 A C 1.803 179.267 177.584 -0.200 0.000 1.197 387 A CA 2.051 53.961 52.037 -0.210 0.000 0.637 387 A CB -1.118 17.766 19.000 -0.194 0.000 0.827 387 A HN 0.779 nan 8.150 nan 0.000 0.450 388 Q N -1.120 118.521 119.800 -0.264 0.000 2.439 388 Q HA 0.063 4.404 4.340 0.001 0.000 0.211 388 Q C 1.246 177.137 176.000 -0.183 0.000 0.978 388 Q CA 1.251 56.909 55.803 -0.241 0.000 0.897 388 Q CB -1.094 27.444 28.738 -0.333 0.000 0.956 388 Q HN 1.493 nan 8.270 nan 0.000 0.483 389 G N 0.478 109.182 108.800 -0.160 0.000 2.132 389 G HA2 -0.260 3.701 3.960 0.001 0.000 0.234 389 G HA3 -0.260 3.701 3.960 0.001 0.000 0.234 389 G C 0.016 174.900 174.900 -0.027 0.000 0.989 389 G CA 0.342 45.396 45.100 -0.077 0.000 0.676 389 G HN 0.281 nan 8.290 nan 0.000 0.522 390 M N -0.437 119.141 119.600 -0.037 0.000 2.283 390 M HA 0.494 4.975 4.480 0.001 0.000 0.314 390 M C 0.883 177.365 176.300 0.304 0.000 1.153 390 M CA -0.504 54.856 55.300 0.100 0.000 1.084 390 M CB 1.448 34.110 32.600 0.103 0.000 1.468 390 M HN 0.248 nan 8.290 nan 0.000 0.474 391 c N 1.755 120.544 118.600 0.315 0.000 2.350 391 c HA 0.515 5.086 4.570 0.001 0.000 0.348 391 c C 0.762 175.039 174.090 0.311 0.000 1.260 391 c CA -0.621 55.906 56.329 0.329 0.000 1.966 391 c CB 0.405 43.067 42.510 0.253 0.000 2.380 391 c HN 0.949 nan 8.230 nan 0.000 0.535 392 S N 5.382 121.123 115.700 0.068 0.000 2.576 392 S HA 0.050 4.520 4.470 0.001 0.000 0.272 392 S C 1.161 175.646 174.600 -0.191 0.000 1.352 392 S CA -0.350 57.526 58.200 -0.539 0.000 1.021 392 S CB 0.378 63.157 63.200 -0.701 0.000 0.887 392 S HN 0.891 nan 8.310 nan 0.000 0.542 393 L N 1.297 122.363 121.223 -0.261 0.000 2.042 393 L HA -0.129 4.211 4.340 0.001 0.000 0.210 393 L C 2.756 179.641 176.870 0.026 0.000 1.076 393 L CA 2.029 56.844 54.840 -0.042 0.000 0.749 393 L CB -1.190 40.824 42.059 -0.075 0.000 0.893 393 L HN 0.995 nan 8.230 nan 0.000 0.432 394 A N -0.285 122.493 122.820 -0.069 0.000 1.902 394 A HA -0.126 4.194 4.320 0.001 0.000 0.217 394 A C 2.279 179.862 177.584 -0.001 0.000 1.181 394 A CA 1.562 53.576 52.037 -0.038 0.000 0.623 394 A CB -1.238 17.718 19.000 -0.074 0.000 0.818 394 A HN 0.527 nan 8.150 nan 0.000 0.443 395 G N -1.154 107.653 108.800 0.011 0.000 2.433 395 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 395 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 395 G C 1.517 176.477 174.900 0.100 0.000 1.186 395 G CA 1.099 46.231 45.100 0.054 0.000 0.779 395 G HN 0.519 nan 8.290 nan 0.000 0.543 396 F N 1.972 121.930 119.950 0.014 0.000 2.120 396 F HA -0.157 4.371 4.527 0.001 0.000 0.300 396 F C 2.887 178.698 175.800 0.018 0.000 1.095 396 F CA 2.206 60.231 58.000 0.041 0.000 1.249 396 F CB -0.305 38.735 39.000 0.067 0.000 0.995 396 F HN 0.128 nan 8.300 nan 0.000 0.480 397 T N 0.091 114.618 114.554 -0.044 0.000 2.788 397 T HA -0.278 4.073 4.350 0.001 0.000 0.268 397 T C 1.873 176.474 174.700 -0.165 0.000 1.044 397 T CA 1.617 63.628 62.100 -0.149 0.000 1.139 397 T CB -0.401 68.449 68.868 -0.029 0.000 0.867 397 T HN 0.485 nan 8.240 nan 0.000 0.454 398 Q N 0.416 120.158 119.800 -0.097 0.000 2.046 398 Q HA -0.061 4.279 4.340 0.001 0.000 0.200 398 Q C 2.345 178.283 176.000 -0.103 0.000 0.975 398 Q CA 1.238 56.995 55.803 -0.077 0.000 0.836 398 Q CB -0.274 28.443 28.738 -0.035 0.000 0.896 398 Q HN 0.518 nan 8.270 nan 0.000 0.428 399 I N 0.274 120.773 120.570 -0.118 0.000 2.208 399 I HA -0.287 3.884 4.170 0.001 0.000 0.245 399 I C 2.297 178.300 176.117 -0.190 0.000 1.097 399 I CA 0.909 62.138 61.300 -0.117 0.000 1.363 399 I CB -0.194 37.764 38.000 -0.071 0.000 1.051 399 I HN 0.104 nan 8.210 nan 0.000 0.413 400 V N 0.972 120.679 119.914 -0.346 0.000 2.358 400 V HA -0.242 3.878 4.120 0.001 0.000 0.246 400 V C 2.131 178.107 176.094 -0.195 0.000 1.047 400 V CA 1.813 63.913 62.300 -0.333 0.000 1.035 400 V CB -0.790 30.732 31.823 -0.501 0.000 0.658 400 V HN 0.438 nan 8.190 nan 0.000 0.452 401 N N 0.210 118.810 118.700 -0.167 0.000 2.166 401 N HA -0.162 4.579 4.740 0.001 0.000 0.186 401 N C 1.817 177.277 175.510 -0.084 0.000 1.019 401 N CA 1.393 54.377 53.050 -0.110 0.000 0.856 401 N CB -0.191 38.242 38.487 -0.090 0.000 0.993 401 N HN 0.605 nan 8.380 nan 0.000 0.426 402 E N -0.041 120.112 120.200 -0.080 0.000 2.230 402 E HA 0.086 4.436 4.350 0.001 0.000 0.192 402 E C 1.600 178.167 176.600 -0.055 0.000 0.987 402 E CA 0.576 56.942 56.400 -0.057 0.000 0.841 402 E CB 0.089 29.762 29.700 -0.045 0.000 0.783 402 E HN 0.320 nan 8.360 nan 0.000 0.481 403 A N 2.157 124.937 122.820 -0.067 0.000 2.021 403 A HA -0.049 4.272 4.320 0.001 0.000 0.216 403 A C 1.322 178.871 177.584 -0.058 0.000 1.163 403 A CA -0.007 51.997 52.037 -0.055 0.000 0.676 403 A CB -0.323 18.646 19.000 -0.051 0.000 0.818 403 A HN 0.133 nan 8.150 nan 0.000 0.453 404 R N 0.127 120.584 120.500 -0.072 0.000 2.643 404 R HA 0.303 4.643 4.340 0.001 0.000 0.270 404 R C -0.906 175.361 176.300 -0.056 0.000 1.061 404 R CA -0.165 55.894 56.100 -0.069 0.000 1.107 404 R CB 0.324 30.574 30.300 -0.082 0.000 0.999 404 R HN 0.102 nan 8.270 nan 0.000 0.460 405 I N 4.732 125.272 120.570 -0.050 0.000 2.347 405 I HA 0.162 4.332 4.170 0.001 0.000 0.283 405 I C -1.413 174.678 176.117 -0.043 0.000 1.058 405 I CA -3.017 58.257 61.300 -0.043 0.000 1.202 405 I CB 1.001 38.977 38.000 -0.040 0.000 1.386 405 I HN 0.559 nan 8.210 nan 0.000 0.475 406 P HA -0.267 nan 4.420 nan 0.000 0.218 406 P C 1.348 178.627 177.300 -0.036 0.000 1.154 406 P CA 1.789 64.865 63.100 -0.040 0.000 0.872 406 P CB 0.323 32.001 31.700 -0.037 0.000 0.790 407 A N -1.142 121.658 122.820 -0.033 0.000 2.178 407 A HA -0.129 4.192 4.320 0.001 0.000 0.218 407 A C 2.152 179.718 177.584 -0.030 0.000 1.157 407 A CA 1.459 53.478 52.037 -0.029 0.000 0.689 407 A CB -1.462 17.521 19.000 -0.027 0.000 0.787 407 A HN 0.316 nan 8.150 nan 0.000 0.465 408 c N 0.371 118.951 118.600 -0.034 0.000 2.906 408 c HA 0.242 4.812 4.570 0.001 0.000 0.274 408 c C 1.554 175.621 174.090 -0.037 0.000 1.257 408 c CA -0.201 56.108 56.329 -0.034 0.000 1.695 408 c CB -1.690 40.798 42.510 -0.036 0.000 1.958 408 c HN 0.684 nan 8.230 nan 0.000 0.619 409 S N 0.894 116.570 115.700 -0.040 0.000 2.576 409 S HA 0.412 4.883 4.470 0.001 0.000 0.272 409 S C -0.329 174.249 174.600 -0.037 0.000 1.352 409 S CA -0.151 58.023 58.200 -0.043 0.000 1.021 409 S CB 0.771 63.945 63.200 -0.044 0.000 0.887 409 S HN 0.212 nan 8.310 nan 0.000 0.542 410 L N 0.000 121.200 121.223 -0.038 0.000 2.949 410 L HA 0.000 4.340 4.340 0.001 0.000 0.249 410 L CA 0.000 54.822 54.840 -0.029 0.000 0.813 410 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 410 L HN 0.000 nan 8.230 nan 0.000 0.502