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 1w62_1_B DATA FIRST_RESID 44 DATA SEQUENCE KSFTCIDMHT EGEAARIVTS GLPHIPGSNM AEKKAYLQEN MDYLRRGIML DATA SEQUENCE EPRGHDDMFG AFLFDPIEEG ADLGIVFMDT GGYLNMCGHN SIAAVTAAVE DATA SEQUENCE TGIVSVPAKA TNVPVVLDTP AGLVRGTAHL QSGTESEVSN ASIINVPSFL DATA SEQUENCE YQQDVVVVLP KPYGEVRVDI AFGGNFFAIV PAEQLGIDIS VQNLSRLQEA DATA SEQUENCE GELLRTEINR SVKVQHPQLP HINTVDCVEI YGPPTNPEAN YKNVVIFGNR DATA SEQUENCE QADRSPCGTG TSAKMATLYA KGQLRIGETF VYESILGSLF QGRVLGEERI DATA SEQUENCE PGVKVPVTKD AEEGMLVVTA EITGKAFIMG FNTMLFDPTD PFKNGFTLKQ DATA SEQUENCE Y 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 44 K HA 0.000 nan 4.320 nan 0.000 0.191 44 K C 0.000 176.710 176.600 0.183 0.000 0.988 44 K CA 0.000 56.352 56.287 0.109 0.000 0.838 44 K CB 0.000 32.519 32.500 0.032 0.000 1.064 45 S N -0.072 115.629 115.700 0.001 0.000 2.546 45 S HA 0.807 5.272 4.470 -0.009 0.000 0.274 45 S C -1.104 173.395 174.600 -0.168 0.000 1.121 45 S CA -0.735 57.513 58.200 0.080 0.000 0.887 45 S CB 1.205 64.441 63.200 0.061 0.000 1.094 45 S HN -0.002 nan 8.310 nan 0.000 0.474 46 F N 0.630 120.701 119.950 0.201 0.000 2.563 46 F HA 0.636 5.158 4.527 -0.008 0.000 0.316 46 F C 0.650 176.527 175.800 0.128 0.000 1.076 46 F CA -0.527 57.569 58.000 0.159 0.000 0.921 46 F CB 2.700 41.832 39.000 0.221 0.000 1.209 46 F HN 0.598 nan 8.300 nan 0.000 0.462 47 T N 2.505 117.227 114.554 0.279 0.000 2.824 47 T HA 0.648 4.993 4.350 -0.009 0.000 0.280 47 T C -0.950 173.873 174.700 0.205 0.000 0.995 47 T CA -0.303 61.912 62.100 0.192 0.000 1.009 47 T CB 0.424 69.357 68.868 0.109 0.000 0.955 47 T HN 0.810 nan 8.240 nan 0.000 0.452 48 C N 2.542 121.957 119.300 0.192 0.000 3.318 48 C HA 0.738 5.193 4.460 -0.009 0.000 0.322 48 C C -1.142 173.973 174.990 0.208 0.000 1.398 48 C CA -1.286 57.836 59.018 0.174 0.000 1.339 48 C CB 0.103 27.921 27.740 0.130 0.000 1.668 48 C HN 0.807 nan 8.230 nan 0.000 0.462 49 I N 2.072 122.742 120.570 0.167 0.000 2.359 49 I HA 0.274 4.439 4.170 -0.009 0.000 0.284 49 I C -0.705 175.444 176.117 0.053 0.000 1.018 49 I CA 0.235 61.614 61.300 0.132 0.000 1.173 49 I CB 0.774 38.867 38.000 0.156 0.000 1.326 49 I HN 0.550 nan 8.210 nan 0.000 0.462 50 D N 8.164 128.574 120.400 0.017 0.000 2.351 50 D HA 0.467 5.102 4.640 -0.009 0.000 0.251 50 D C -0.119 176.201 176.300 0.034 0.000 1.137 50 D CA 0.497 54.516 54.000 0.032 0.000 0.879 50 D CB 1.191 42.011 40.800 0.033 0.000 1.181 50 D HN 0.359 nan 8.370 nan 0.000 0.448 51 M N 1.225 120.884 119.600 0.098 0.000 2.664 51 M HA 0.377 4.852 4.480 -0.009 0.000 0.279 51 M C -0.879 175.568 176.300 0.245 0.000 1.275 51 M CA -0.886 54.487 55.300 0.122 0.000 0.829 51 M CB 2.817 35.461 32.600 0.072 0.000 1.727 51 M HN 0.482 nan 8.290 nan 0.000 0.459 52 H N -1.976 117.191 119.070 0.163 0.000 2.961 52 H HA 0.646 5.197 4.556 -0.008 0.000 0.371 52 H C -1.677 173.786 175.328 0.224 0.000 1.190 52 H CA -0.852 55.302 56.048 0.177 0.000 1.138 52 H CB 1.402 31.251 29.762 0.145 0.000 1.816 52 H HN 0.437 nan 8.280 nan 0.000 0.551 53 T N 3.325 118.002 114.554 0.205 0.000 2.947 53 T HA 0.147 4.492 4.350 -0.009 0.000 0.337 53 T C -0.503 174.336 174.700 0.231 0.000 1.139 53 T CA -0.776 61.429 62.100 0.176 0.000 0.992 53 T CB 0.257 69.266 68.868 0.234 0.000 1.043 53 T HN 0.718 nan 8.240 nan 0.000 0.498 54 E N 2.064 122.452 120.200 0.315 0.000 2.199 54 E HA -0.283 4.062 4.350 -0.009 0.000 0.208 54 E C 1.230 177.962 176.600 0.220 0.000 1.310 54 E CA 1.301 57.879 56.400 0.297 0.000 0.709 54 E CB -1.616 28.145 29.700 0.103 0.000 1.127 54 E HN 1.285 nan 8.360 nan 0.000 0.354 55 G N -0.142 108.938 108.800 0.466 0.000 2.258 55 G HA2 -0.352 3.603 3.960 -0.009 0.000 0.233 55 G HA3 -0.352 3.603 3.960 -0.009 0.000 0.233 55 G C 0.163 175.098 174.900 0.057 0.000 1.006 55 G CA 0.328 45.506 45.100 0.130 0.000 0.620 55 G HN 0.347 nan 8.290 nan 0.000 0.511 56 E N 1.533 121.756 120.200 0.039 0.000 2.167 56 E HA 0.682 5.027 4.350 -0.009 0.000 0.284 56 E C 0.649 177.254 176.600 0.009 0.000 1.016 56 E CA 0.420 56.739 56.400 -0.135 0.000 0.817 56 E CB 0.810 30.186 29.700 -0.539 0.000 1.080 56 E HN 0.905 nan 8.360 nan 0.000 0.397 57 A N 3.557 126.467 122.820 0.150 0.000 2.462 57 A HA 0.537 4.851 4.320 -0.009 0.000 0.243 57 A C -0.195 177.615 177.584 0.378 0.000 1.076 57 A CA 0.358 52.559 52.037 0.273 0.000 0.773 57 A CB 0.352 19.503 19.000 0.252 0.000 1.010 57 A HN 0.693 nan 8.150 nan 0.000 0.493 58 A N 2.837 125.833 122.820 0.292 0.000 2.768 58 A HA 0.538 4.852 4.320 -0.009 0.000 0.299 58 A C -0.105 177.562 177.584 0.138 0.000 1.171 58 A CA -0.540 51.645 52.037 0.248 0.000 0.759 58 A CB 0.373 19.515 19.000 0.237 0.000 1.267 58 A HN 0.905 nan 8.150 nan 0.000 0.421 59 R N 3.385 123.938 120.500 0.089 0.000 2.248 59 R HA 0.389 4.723 4.340 -0.009 0.000 0.337 59 R C -0.732 175.564 176.300 -0.007 0.000 1.085 59 R CA -0.273 55.844 56.100 0.029 0.000 0.934 59 R CB 0.147 30.436 30.300 -0.018 0.000 1.034 59 R HN 0.527 nan 8.270 nan 0.000 0.465 60 I N 6.620 127.203 120.570 0.022 0.000 2.287 60 I HA 0.132 4.297 4.170 -0.009 0.000 0.290 60 I C -0.109 176.027 176.117 0.032 0.000 1.069 60 I CA -0.632 60.676 61.300 0.014 0.000 1.237 60 I CB 1.130 39.156 38.000 0.043 0.000 1.418 60 I HN 0.348 nan 8.210 nan 0.000 0.481 61 V N 6.863 126.779 119.914 0.002 0.000 2.427 61 V HA 0.102 4.217 4.120 -0.009 0.000 0.268 61 V C 1.498 177.654 176.094 0.104 0.000 1.046 61 V CA 0.075 62.432 62.300 0.094 0.000 0.970 61 V CB 0.808 32.721 31.823 0.150 0.000 1.001 61 V HN 0.863 nan 8.190 nan 0.000 0.476 62 T N -0.179 114.441 114.554 0.109 0.000 3.014 62 T HA 0.233 4.578 4.350 -0.009 0.000 0.250 62 T C 0.570 175.295 174.700 0.040 0.000 1.060 62 T CA 0.434 62.571 62.100 0.061 0.000 1.040 62 T CB 0.259 69.168 68.868 0.069 0.000 0.971 62 T HN 0.797 nan 8.240 nan 0.000 0.497 63 S N -1.335 114.416 115.700 0.085 0.000 2.587 63 S HA 0.628 5.093 4.470 -0.009 0.000 0.269 63 S C 0.453 175.089 174.600 0.061 0.000 1.154 63 S CA -0.150 58.069 58.200 0.031 0.000 0.824 63 S CB 1.215 64.407 63.200 -0.014 0.000 1.118 63 S HN 1.199 nan 8.310 nan 0.000 0.462 64 G N -0.057 108.682 108.800 -0.102 0.000 2.192 64 G HA2 -0.118 3.836 3.960 -0.009 0.000 0.193 64 G HA3 -0.118 3.836 3.960 -0.009 0.000 0.193 64 G C -0.202 174.420 174.900 -0.462 0.000 0.999 64 G CA -0.185 44.678 45.100 -0.396 0.000 0.659 64 G HN 0.836 nan 8.290 nan 0.000 0.503 65 L N 2.459 123.632 121.223 -0.083 0.000 2.436 65 L HA 0.387 4.722 4.340 -0.009 0.000 0.265 65 L C -0.601 176.157 176.870 -0.186 0.000 1.168 65 L CA -1.503 53.308 54.840 -0.047 0.000 0.815 65 L CB 0.561 42.499 42.059 -0.203 0.000 1.109 65 L HN 0.102 nan 8.230 nan 0.000 0.462 66 P HA 0.097 nan 4.420 nan 0.000 0.277 66 P C -0.828 176.345 177.300 -0.211 0.000 1.276 66 P CA -0.448 62.540 63.100 -0.187 0.000 0.788 66 P CB 0.366 32.036 31.700 -0.049 0.000 1.114 67 H N -0.080 118.979 119.070 -0.018 0.000 2.803 67 H HA 0.253 4.803 4.556 -0.009 0.000 0.330 67 H C 0.036 175.305 175.328 -0.098 0.000 1.057 67 H CA 0.533 56.559 56.048 -0.036 0.000 1.458 67 H CB -0.031 29.703 29.762 -0.046 0.000 1.470 67 H HN 0.241 nan 8.280 nan 0.000 0.560 68 I N 6.713 127.277 120.570 -0.010 0.000 2.410 68 I HA 0.184 4.349 4.170 -0.009 0.000 0.286 68 I C -1.989 173.913 176.117 -0.359 0.000 1.009 68 I CA -1.875 59.270 61.300 -0.259 0.000 1.111 68 I CB 2.148 40.099 38.000 -0.081 0.000 1.262 68 I HN 0.384 nan 8.210 nan 0.000 0.443 69 P HA 0.503 nan 4.420 nan 0.000 0.274 69 P C -0.358 176.751 177.300 -0.319 0.000 1.237 69 P CA -0.157 62.708 63.100 -0.391 0.000 0.793 69 P CB 1.178 32.646 31.700 -0.387 0.000 0.977 70 G N -0.593 108.084 108.800 -0.205 0.000 2.322 70 G HA2 0.241 4.196 3.960 -0.009 0.000 0.289 70 G HA3 0.241 4.196 3.960 -0.009 0.000 0.289 70 G C 0.133 174.955 174.900 -0.131 0.000 1.687 70 G CA 0.056 45.061 45.100 -0.158 0.000 0.944 70 G HN 0.484 nan 8.290 nan 0.000 0.718 71 S N -0.506 115.136 115.700 -0.097 0.000 2.535 71 S HA 0.282 4.747 4.470 -0.009 0.000 0.214 71 S C 0.716 175.271 174.600 -0.075 0.000 0.980 71 S CA 0.966 59.120 58.200 -0.078 0.000 0.907 71 S CB -0.193 62.972 63.200 -0.058 0.000 0.790 71 S HN 1.497 nan 8.310 nan 0.000 0.510 72 N N -0.890 117.757 118.700 -0.088 0.000 2.853 72 N HA 0.429 5.163 4.740 -0.009 0.000 0.258 72 N C 0.241 175.680 175.510 -0.119 0.000 1.444 72 N CA -1.006 51.993 53.050 -0.084 0.000 0.837 72 N CB 0.094 38.545 38.487 -0.059 0.000 1.489 72 N HN -0.214 nan 8.380 nan 0.000 0.529 73 M N -0.223 119.310 119.600 -0.112 0.000 2.296 73 M HA 0.083 4.557 4.480 -0.009 0.000 0.265 73 M C 1.726 177.946 176.300 -0.135 0.000 1.064 73 M CA 1.303 56.510 55.300 -0.155 0.000 1.109 73 M CB -1.516 31.020 32.600 -0.107 0.000 1.396 73 M HN 0.858 nan 8.290 nan 0.000 0.430 74 A N 0.233 123.000 122.820 -0.088 0.000 1.933 74 A HA -0.156 4.159 4.320 -0.009 0.000 0.218 74 A C 2.069 179.599 177.584 -0.090 0.000 1.175 74 A CA 1.483 53.476 52.037 -0.074 0.000 0.628 74 A CB -0.551 18.415 19.000 -0.056 0.000 0.814 74 A HN 0.561 nan 8.150 nan 0.000 0.444 75 E N -0.252 119.891 120.200 -0.094 0.000 2.152 75 E HA -0.145 4.199 4.350 -0.009 0.000 0.192 75 E C 1.942 178.483 176.600 -0.098 0.000 0.983 75 E CA 1.117 57.468 56.400 -0.082 0.000 0.818 75 E CB -0.103 29.552 29.700 -0.074 0.000 0.758 75 E HN 0.593 nan 8.360 nan 0.000 0.467 76 K N 1.038 121.329 120.400 -0.182 0.000 2.103 76 K HA -0.110 4.205 4.320 -0.009 0.000 0.204 76 K C 2.149 178.642 176.600 -0.178 0.000 1.052 76 K CA 0.806 56.937 56.287 -0.260 0.000 0.945 76 K CB 0.025 32.192 32.500 -0.556 0.000 0.722 76 K HN -0.066 nan 8.250 nan 0.000 0.443 77 K N 1.195 121.494 120.400 -0.168 0.000 2.002 77 K HA -0.150 4.165 4.320 -0.009 0.000 0.209 77 K C 2.187 178.648 176.600 -0.231 0.000 1.048 77 K CA 1.371 57.555 56.287 -0.171 0.000 0.930 77 K CB -0.189 32.239 32.500 -0.119 0.000 0.714 77 K HN 0.098 nan 8.250 nan 0.000 0.438 78 A N 0.735 123.463 122.820 -0.154 0.000 1.903 78 A HA -0.262 4.053 4.320 -0.009 0.000 0.219 78 A C 2.133 179.655 177.584 -0.102 0.000 1.191 78 A CA 1.911 53.871 52.037 -0.129 0.000 0.638 78 A CB -1.206 17.749 19.000 -0.074 0.000 0.823 78 A HN 0.645 nan 8.150 nan 0.000 0.451 79 Y N 0.184 120.391 120.300 -0.154 0.000 2.207 79 Y HA -0.169 4.375 4.550 -0.009 0.000 0.287 79 Y C 2.032 177.851 175.900 -0.135 0.000 1.156 79 Y CA 1.936 59.962 58.100 -0.123 0.000 1.182 79 Y CB -0.189 38.205 38.460 -0.111 0.000 0.979 79 Y HN 0.247 nan 8.280 nan 0.000 0.521 80 L N -0.321 120.898 121.223 -0.006 0.000 2.093 80 L HA -0.244 4.090 4.340 -0.009 0.000 0.208 80 L C 2.510 179.271 176.870 -0.182 0.000 1.085 80 L CA 1.454 56.252 54.840 -0.069 0.000 0.755 80 L CB -0.538 41.511 42.059 -0.017 0.000 0.904 80 L HN 0.287 nan 8.230 nan 0.000 0.435 81 Q N -0.285 119.325 119.800 -0.316 0.000 2.046 81 Q HA -0.202 4.132 4.340 -0.009 0.000 0.200 81 Q C 2.040 177.958 176.000 -0.136 0.000 0.975 81 Q CA 1.495 57.131 55.803 -0.277 0.000 0.836 81 Q CB 0.055 28.584 28.738 -0.348 0.000 0.896 81 Q HN 0.541 nan 8.270 nan 0.000 0.428 82 E N -0.253 119.839 120.200 -0.180 0.000 2.230 82 E HA -0.031 4.314 4.350 -0.009 0.000 0.192 82 E C 1.111 177.593 176.600 -0.196 0.000 0.987 82 E CA 0.484 56.786 56.400 -0.162 0.000 0.841 82 E CB 0.288 29.885 29.700 -0.171 0.000 0.783 82 E HN 0.315 nan 8.360 nan 0.000 0.481 83 N N -0.814 117.701 118.700 -0.308 0.000 2.210 83 N HA 0.178 4.913 4.740 -0.009 0.000 0.203 83 N C 0.620 176.021 175.510 -0.183 0.000 1.175 83 N CA 0.342 53.208 53.050 -0.305 0.000 0.894 83 N CB 1.046 39.137 38.487 -0.660 0.000 1.041 83 N HN 0.082 nan 8.380 nan 0.000 0.506 84 M N -0.134 119.321 119.600 -0.241 0.000 3.340 84 M HA 0.109 4.583 4.480 -0.009 0.000 0.471 84 M C 0.013 176.024 176.300 -0.482 0.000 1.550 84 M CA -0.010 54.995 55.300 -0.493 0.000 0.754 84 M CB 1.160 33.532 32.600 -0.381 0.000 1.485 84 M HN -0.244 nan 8.290 nan 0.000 0.530 85 D N 0.836 121.136 120.400 -0.166 0.000 2.311 85 D HA -0.192 4.442 4.640 -0.009 0.000 0.212 85 D C 1.689 177.973 176.300 -0.027 0.000 0.972 85 D CA 1.887 55.897 54.000 0.017 0.000 0.887 85 D CB 0.129 40.995 40.800 0.110 0.000 0.915 85 D HN 0.620 nan 8.370 nan 0.000 0.497 86 Y N -0.858 119.471 120.300 0.048 0.000 2.352 86 Y HA 0.004 4.549 4.550 -0.009 0.000 0.292 86 Y C 1.914 177.798 175.900 -0.028 0.000 1.136 86 Y CA 0.478 58.588 58.100 0.016 0.000 1.227 86 Y CB -0.843 37.622 38.460 0.009 0.000 0.991 86 Y HN -0.011 nan 8.280 nan 0.000 0.545 87 L N 0.450 121.503 121.223 -0.283 0.000 1.988 87 L HA -0.144 4.190 4.340 -0.009 0.000 0.207 87 L C 2.945 179.750 176.870 -0.108 0.000 1.071 87 L CA 1.791 56.496 54.840 -0.225 0.000 0.744 87 L CB -0.654 41.244 42.059 -0.269 0.000 0.893 87 L HN 0.172 nan 8.230 nan 0.000 0.433 88 R N 0.682 121.187 120.500 0.007 0.000 2.133 88 R HA -0.247 4.087 4.340 -0.009 0.000 0.245 88 R C 2.463 178.707 176.300 -0.093 0.000 1.137 88 R CA 2.074 58.136 56.100 -0.062 0.000 0.947 88 R CB -0.217 30.010 30.300 -0.122 0.000 0.865 88 R HN 0.265 nan 8.270 nan 0.000 0.437 89 R N -0.882 119.597 120.500 -0.036 0.000 2.091 89 R HA -0.098 4.236 4.340 -0.009 0.000 0.238 89 R C 2.420 178.742 176.300 0.036 0.000 1.136 89 R CA 1.453 57.549 56.100 -0.005 0.000 0.959 89 R CB -0.502 29.831 30.300 0.054 0.000 0.856 89 R HN 0.480 nan 8.270 nan 0.000 0.437 90 G N 0.463 109.321 108.800 0.097 0.000 2.464 90 G HA2 -0.143 3.811 3.960 -0.009 0.000 0.217 90 G HA3 -0.143 3.811 3.960 -0.009 0.000 0.217 90 G C 1.408 176.497 174.900 0.315 0.000 1.138 90 G CA 0.223 45.498 45.100 0.293 0.000 0.793 90 G HN 0.153 nan 8.290 nan 0.000 0.539 91 I N 0.253 120.895 120.570 0.119 0.000 2.500 91 I HA -0.025 4.139 4.170 -0.009 0.000 0.252 91 I C 2.530 178.614 176.117 -0.056 0.000 1.142 91 I CA 0.689 62.020 61.300 0.050 0.000 1.451 91 I CB 0.038 37.958 38.000 -0.133 0.000 1.093 91 I HN 0.106 nan 8.210 nan 0.000 0.430 92 M N -0.274 119.258 119.600 -0.113 0.000 2.545 92 M HA 0.213 4.688 4.480 -0.009 0.000 0.264 92 M C 1.074 177.254 176.300 -0.200 0.000 1.155 92 M CA 0.740 55.928 55.300 -0.187 0.000 1.162 92 M CB -0.133 32.327 32.600 -0.233 0.000 1.330 92 M HN 0.016 nan 8.290 nan 0.000 0.479 93 L N 0.438 121.569 121.223 -0.154 0.000 2.454 93 L HA 0.197 4.532 4.340 -0.009 0.000 0.256 93 L C 0.751 177.461 176.870 -0.268 0.000 1.136 93 L CA -0.646 54.073 54.840 -0.202 0.000 0.804 93 L CB 0.486 42.448 42.059 -0.161 0.000 1.181 93 L HN 0.131 nan 8.230 nan 0.000 0.469 94 E N 1.668 121.589 120.200 -0.465 0.000 2.438 94 E HA -0.025 4.319 4.350 -0.009 0.000 0.261 94 E C -1.660 174.551 176.600 -0.647 0.000 1.103 94 E CA -1.205 54.811 56.400 -0.640 0.000 0.959 94 E CB 0.435 29.477 29.700 -1.097 0.000 0.958 94 E HN 0.376 nan 8.360 nan 0.000 0.447 95 P HA 0.013 nan 4.420 nan 0.000 0.240 95 P C 0.734 177.971 177.300 -0.106 0.000 1.190 95 P CA 0.802 63.790 63.100 -0.186 0.000 0.781 95 P CB 0.328 32.025 31.700 -0.006 0.000 0.931 96 R N -0.275 120.171 120.500 -0.090 0.000 2.153 96 R HA 0.146 4.481 4.340 -0.009 0.000 0.218 96 R C 1.667 177.935 176.300 -0.053 0.000 1.072 96 R CA 1.112 57.176 56.100 -0.060 0.000 0.990 96 R CB -0.298 29.972 30.300 -0.049 0.000 0.889 96 R HN 0.240 nan 8.270 nan 0.000 0.452 97 G N -0.953 107.791 108.800 -0.095 0.000 3.122 97 G HA2 0.448 4.403 3.960 -0.009 0.000 0.180 97 G HA3 0.448 4.403 3.960 -0.009 0.000 0.180 97 G C -1.073 173.777 174.900 -0.084 0.000 1.279 97 G CA -0.436 44.586 45.100 -0.131 0.000 0.987 97 G HN 0.421 nan 8.290 nan 0.000 0.589 98 H N -3.732 115.249 119.070 -0.147 0.000 2.917 98 H HA 0.397 4.948 4.556 -0.008 0.000 0.299 98 H C -0.605 174.631 175.328 -0.155 0.000 1.418 98 H CA -0.521 55.434 56.048 -0.155 0.000 1.138 98 H CB 0.467 30.165 29.762 -0.107 0.000 1.830 98 H HN 0.219 nan 8.280 nan 0.000 0.514 99 D N -0.193 120.248 120.400 0.068 0.000 2.351 99 D HA -0.063 4.572 4.640 -0.009 0.000 0.216 99 D C -0.166 176.107 176.300 -0.045 0.000 0.968 99 D CA 1.004 54.985 54.000 -0.031 0.000 0.899 99 D CB 0.091 40.884 40.800 -0.013 0.000 0.907 99 D HN 0.516 nan 8.370 nan 0.000 0.514 100 D N 0.368 120.836 120.400 0.114 0.000 2.772 100 D HA 0.070 4.704 4.640 -0.009 0.000 0.272 100 D C 0.051 176.282 176.300 -0.115 0.000 1.314 100 D CA -0.302 53.742 54.000 0.073 0.000 0.835 100 D CB 0.429 41.416 40.800 0.311 0.000 1.080 100 D HN 0.078 nan 8.370 nan 0.000 0.482 101 M N 0.804 120.078 119.600 -0.544 0.000 2.314 101 M HA 0.453 4.928 4.480 -0.009 0.000 0.342 101 M C -1.466 174.490 176.300 -0.574 0.000 1.171 101 M CA -0.083 54.920 55.300 -0.495 0.000 1.098 101 M CB 0.581 32.830 32.600 -0.585 0.000 1.559 101 M HN -0.203 nan 8.290 nan 0.000 0.459 102 F N 1.658 121.587 119.950 -0.035 0.000 2.626 102 F HA 0.888 5.409 4.527 -0.010 0.000 0.311 102 F C 0.466 176.258 175.800 -0.012 0.000 1.088 102 F CA -0.190 57.825 58.000 0.024 0.000 0.949 102 F CB 1.951 41.068 39.000 0.193 0.000 1.322 102 F HN 0.730 nan 8.300 nan 0.000 0.461 103 G N -0.129 108.751 108.800 0.134 0.000 2.450 103 G HA2 0.770 4.724 3.960 -0.009 0.000 0.273 103 G HA3 0.770 4.724 3.960 -0.009 0.000 0.273 103 G C -2.158 172.726 174.900 -0.028 0.000 1.221 103 G CA -0.053 45.067 45.100 0.033 0.000 0.900 103 G HN 1.284 nan 8.290 nan 0.000 0.483 104 A N -1.366 121.351 122.820 -0.172 0.000 2.586 104 A HA 0.731 5.045 4.320 -0.009 0.000 0.291 104 A C -2.028 175.346 177.584 -0.351 0.000 1.062 104 A CA -0.681 51.209 52.037 -0.246 0.000 0.666 104 A CB 0.606 19.520 19.000 -0.143 0.000 1.281 104 A HN 1.001 nan 8.150 nan 0.000 0.421 105 F N 1.352 121.251 119.950 -0.085 0.000 2.411 105 F HA 0.476 4.998 4.527 -0.008 0.000 0.352 105 F C 0.352 175.987 175.800 -0.274 0.000 1.123 105 F CA -0.581 57.303 58.000 -0.193 0.000 1.044 105 F CB 1.421 40.297 39.000 -0.207 0.000 1.135 105 F HN 0.362 nan 8.300 nan 0.000 0.461 106 L N 4.446 125.604 121.223 -0.109 0.000 2.380 106 L HA 0.333 4.668 4.340 -0.009 0.000 0.273 106 L C -0.719 175.911 176.870 -0.400 0.000 1.138 106 L CA 0.185 54.940 54.840 -0.141 0.000 0.832 106 L CB 0.434 42.457 42.059 -0.060 0.000 1.124 106 L HN 0.546 nan 8.230 nan 0.000 0.454 107 F N -0.241 119.720 119.950 0.018 0.000 2.650 107 F HA 0.313 4.834 4.527 -0.009 0.000 0.320 107 F C 0.137 175.936 175.800 -0.001 0.000 1.091 107 F CA -1.127 56.876 58.000 0.004 0.000 0.962 107 F CB 1.154 40.147 39.000 -0.012 0.000 1.363 107 F HN 0.355 nan 8.300 nan 0.000 0.482 108 D N 2.956 123.489 120.400 0.221 0.000 2.443 108 D HA 0.138 4.773 4.640 -0.009 0.000 0.239 108 D C -2.257 174.102 176.300 0.099 0.000 1.136 108 D CA -0.771 53.299 54.000 0.117 0.000 0.879 108 D CB 0.249 41.101 40.800 0.086 0.000 1.195 108 D HN 0.043 nan 8.370 nan 0.000 0.443 109 P HA 0.170 nan 4.420 nan 0.000 0.275 109 P C 0.293 177.601 177.300 0.014 0.000 1.228 109 P CA -0.118 63.003 63.100 0.035 0.000 0.786 109 P CB 1.269 32.985 31.700 0.027 0.000 0.927 110 I N -0.751 119.817 120.570 -0.003 0.000 3.443 110 I HA 0.124 4.289 4.170 -0.009 0.000 0.277 110 I C 0.948 177.057 176.117 -0.013 0.000 1.169 110 I CA 0.139 61.429 61.300 -0.016 0.000 1.419 110 I CB -0.265 37.712 38.000 -0.038 0.000 1.331 110 I HN 0.258 nan 8.210 nan 0.000 0.458 111 E N 2.849 123.041 120.200 -0.012 0.000 2.465 111 E HA -0.038 4.307 4.350 -0.009 0.000 0.260 111 E C -0.230 176.369 176.600 -0.003 0.000 0.980 111 E CA 0.290 56.686 56.400 -0.008 0.000 0.927 111 E CB 0.293 29.991 29.700 -0.004 0.000 0.934 111 E HN 0.022 nan 8.360 nan 0.000 0.459 112 E N 2.030 122.228 120.200 -0.004 0.000 2.413 112 E HA 0.188 4.533 4.350 -0.009 0.000 0.263 112 E C 1.020 177.620 176.600 0.000 0.000 1.015 112 E CA 0.956 57.355 56.400 -0.002 0.000 0.916 112 E CB 0.781 30.479 29.700 -0.003 0.000 0.947 112 E HN 0.805 nan 8.360 nan 0.000 0.440 113 G N 1.495 110.296 108.800 0.001 0.000 2.217 113 G HA2 -0.275 3.680 3.960 -0.009 0.000 0.246 113 G HA3 -0.275 3.680 3.960 -0.009 0.000 0.246 113 G C 0.402 175.305 174.900 0.004 0.000 0.990 113 G CA 0.157 45.258 45.100 0.002 0.000 0.627 113 G HN 0.811 nan 8.290 nan 0.000 0.522 114 A N -0.009 122.814 122.820 0.006 0.000 2.293 114 A HA 0.681 4.996 4.320 -0.009 0.000 0.302 114 A C 0.828 178.418 177.584 0.010 0.000 1.119 114 A CA 0.448 52.491 52.037 0.009 0.000 0.823 114 A CB 0.667 19.674 19.000 0.012 0.000 1.097 114 A HN 0.108 nan 8.150 nan 0.000 0.491 115 D N -0.491 119.916 120.400 0.012 0.000 2.338 115 D HA 0.183 4.818 4.640 -0.009 0.000 0.208 115 D C -0.582 175.730 176.300 0.019 0.000 0.997 115 D CA 0.851 54.858 54.000 0.012 0.000 0.880 115 D CB 0.602 41.406 40.800 0.007 0.000 0.980 115 D HN 0.267 nan 8.370 nan 0.000 0.509 116 L N 0.318 121.556 121.223 0.025 0.000 2.588 116 L HA 0.480 4.815 4.340 -0.009 0.000 0.263 116 L C -0.684 176.213 176.870 0.046 0.000 0.935 116 L CA -0.562 54.299 54.840 0.035 0.000 0.891 116 L CB 1.943 44.018 42.059 0.026 0.000 1.318 116 L HN -0.097 nan 8.230 nan 0.000 0.409 117 G N 4.191 113.040 108.800 0.081 0.000 2.420 117 G HA2 0.620 4.574 3.960 -0.009 0.000 0.284 117 G HA3 0.620 4.574 3.960 -0.009 0.000 0.284 117 G C -1.187 173.805 174.900 0.155 0.000 1.177 117 G CA -0.269 44.898 45.100 0.113 0.000 0.841 117 G HN 0.837 nan 8.290 nan 0.000 0.527 118 I N 0.936 121.562 120.570 0.094 0.000 2.787 118 I HA 0.457 4.622 4.170 -0.009 0.000 0.294 118 I C -1.354 174.686 176.117 -0.129 0.000 1.365 118 I CA -0.757 60.526 61.300 -0.027 0.000 1.029 118 I CB 2.317 40.155 38.000 -0.270 0.000 1.313 118 I HN 0.345 nan 8.210 nan 0.000 0.431 119 V N 7.215 127.107 119.914 -0.036 0.000 2.531 119 V HA 0.476 4.591 4.120 -0.009 0.000 0.301 119 V C -0.495 175.500 176.094 -0.165 0.000 1.034 119 V CA -0.428 61.854 62.300 -0.029 0.000 0.865 119 V CB 1.642 33.652 31.823 0.312 0.000 0.995 119 V HN 0.473 nan 8.190 nan 0.000 0.424 120 F N 5.432 125.477 119.950 0.158 0.000 2.371 120 F HA 0.781 5.303 4.527 -0.009 0.000 0.329 120 F C 0.462 176.300 175.800 0.063 0.000 1.107 120 F CA -0.419 57.621 58.000 0.065 0.000 1.137 120 F CB 1.318 40.342 39.000 0.040 0.000 1.214 120 F HN 0.504 nan 8.300 nan 0.000 0.536 121 M N 0.712 120.388 119.600 0.126 0.000 2.682 121 M HA 0.664 5.139 4.480 -0.009 0.000 0.272 121 M C -2.222 174.023 176.300 -0.093 0.000 1.232 121 M CA -0.873 54.356 55.300 -0.118 0.000 0.849 121 M CB 2.825 35.213 32.600 -0.353 0.000 1.695 121 M HN 0.547 nan 8.290 nan 0.000 0.481 122 D N -1.163 119.114 120.400 -0.206 0.000 2.825 122 D HA 0.397 5.031 4.640 -0.009 0.000 0.327 122 D C 0.346 176.453 176.300 -0.321 0.000 1.277 122 D CA 0.121 53.955 54.000 -0.276 0.000 0.950 122 D CB 0.514 41.180 40.800 -0.223 0.000 1.438 122 D HN 0.792 nan 8.370 nan 0.000 0.526 123 T N -3.933 110.401 114.554 -0.367 0.000 3.085 123 T HA 0.201 4.546 4.350 -0.009 0.000 0.263 123 T C 1.584 176.170 174.700 -0.190 0.000 1.127 123 T CA 0.978 62.915 62.100 -0.270 0.000 1.103 123 T CB -0.514 68.193 68.868 -0.269 0.000 0.921 123 T HN 0.559 nan 8.240 nan 0.000 0.510 124 G N -0.199 108.501 108.800 -0.166 0.000 2.833 124 G HA2 0.605 4.559 3.960 -0.009 0.000 0.210 124 G HA3 0.605 4.559 3.960 -0.009 0.000 0.210 124 G C 0.558 175.411 174.900 -0.078 0.000 1.139 124 G CA 0.107 45.148 45.100 -0.097 0.000 0.771 124 G HN 0.898 nan 8.290 nan 0.000 0.535 125 G N -1.016 107.702 108.800 -0.137 0.000 2.393 125 G HA2 0.356 4.310 3.960 -0.009 0.000 0.264 125 G HA3 0.356 4.310 3.960 -0.009 0.000 0.264 125 G C -1.496 173.249 174.900 -0.258 0.000 1.221 125 G CA -0.628 44.417 45.100 -0.093 0.000 0.912 125 G HN -0.014 nan 8.290 nan 0.000 0.483 126 Y N 0.532 120.875 120.300 0.072 0.000 2.578 126 Y HA 0.630 5.175 4.550 -0.008 0.000 0.317 126 Y C 0.247 176.232 175.900 0.141 0.000 0.940 126 Y CA -0.328 57.835 58.100 0.105 0.000 1.174 126 Y CB 0.544 39.059 38.460 0.093 0.000 1.198 126 Y HN 0.184 nan 8.280 nan 0.000 0.597 127 L N -0.470 120.885 121.223 0.219 0.000 2.301 127 L HA 0.472 4.806 4.340 -0.009 0.000 0.264 127 L C 0.946 177.876 176.870 0.100 0.000 1.016 127 L CA -0.734 54.211 54.840 0.174 0.000 0.821 127 L CB 1.407 43.538 42.059 0.119 0.000 1.346 127 L HN 0.065 nan 8.230 nan 0.000 0.429 128 N N 1.989 120.622 118.700 -0.111 0.000 2.124 128 N HA 0.032 4.767 4.740 -0.009 0.000 0.189 128 N C 0.508 175.873 175.510 -0.242 0.000 1.050 128 N CA 1.490 54.280 53.050 -0.434 0.000 0.848 128 N CB 0.055 37.948 38.487 -0.991 0.000 1.027 128 N HN 0.612 nan 8.380 nan 0.000 0.435 129 M N -2.422 117.053 119.600 -0.207 0.000 4.047 129 M HA 0.104 4.579 4.480 -0.009 0.000 0.157 129 M C 1.665 177.827 176.300 -0.230 0.000 1.532 129 M CA 1.007 56.191 55.300 -0.193 0.000 1.097 129 M CB -2.807 nan 32.600 nan 0.000 1.346 129 M HN 1.458 nan 8.290 nan 0.000 0.190 130 C N 2.417 121.619 119.300 -0.162 0.000 5.399 130 C HA 0.376 4.831 4.460 -0.009 0.000 0.295 130 C C 2.395 177.342 174.990 -0.072 0.000 2.089 130 C CA 3.086 62.055 59.018 -0.082 0.000 1.915 130 C CB -2.163 nan 27.740 nan 0.000 2.713 130 C HN 3.585 nan 8.230 nan 0.000 0.480 131 G N -0.299 108.388 108.800 -0.189 0.000 2.205 131 G HA2 -0.300 3.655 3.960 -0.009 0.000 0.269 131 G HA3 -0.300 3.655 3.960 -0.009 0.000 0.269 131 G C 0.668 175.414 174.900 -0.257 0.000 0.977 131 G CA 1.947 46.888 45.100 -0.265 0.000 0.652 131 G HN 2.487 nan 8.290 nan 0.000 0.539 132 H N 0.164 119.120 119.070 -0.190 0.000 2.489 132 H HA 0.044 4.596 4.556 -0.008 0.000 0.293 132 H C 2.003 177.289 175.328 -0.070 0.000 1.066 132 H CA 1.121 57.112 56.048 -0.096 0.000 1.305 132 H CB -0.313 29.403 29.762 -0.077 0.000 1.386 132 H HN 0.454 nan 8.280 nan 0.000 0.551 133 N N 0.923 119.249 118.700 -0.623 0.000 2.381 133 N HA -0.083 4.652 4.740 -0.009 0.000 0.182 133 N C 1.758 177.282 175.510 0.024 0.000 1.025 133 N CA 0.953 53.872 53.050 -0.218 0.000 0.888 133 N CB 0.067 38.516 38.487 -0.063 0.000 0.965 133 N HN 0.358 nan 8.380 nan 0.000 0.438 134 S N 1.229 116.894 115.700 -0.058 0.000 2.368 134 S HA 0.051 4.516 4.470 -0.009 0.000 0.224 134 S C 2.086 176.686 174.600 -0.001 0.000 1.029 134 S CA 0.459 58.681 58.200 0.038 0.000 0.988 134 S CB 0.010 63.192 63.200 -0.030 0.000 0.838 134 S HN 0.262 nan 8.310 nan 0.000 0.462 135 I N 1.637 122.179 120.570 -0.046 0.000 2.315 135 I HA -0.197 3.967 4.170 -0.009 0.000 0.248 135 I C 2.656 178.750 176.117 -0.038 0.000 1.117 135 I CA 1.019 62.280 61.300 -0.066 0.000 1.404 135 I CB -0.433 37.507 38.000 -0.101 0.000 1.071 135 I HN 0.262 nan 8.210 nan 0.000 0.419 136 A N 0.728 123.550 122.820 0.004 0.000 1.858 136 A HA -0.156 4.158 4.320 -0.009 0.000 0.216 136 A C 2.535 180.129 177.584 0.018 0.000 1.190 136 A CA 1.876 53.924 52.037 0.017 0.000 0.617 136 A CB -0.897 18.144 19.000 0.068 0.000 0.827 136 A HN 0.413 nan 8.150 nan 0.000 0.443 137 A N -0.701 122.145 122.820 0.042 0.000 1.930 137 A HA 0.043 4.357 4.320 -0.009 0.000 0.217 137 A C 2.229 179.824 177.584 0.017 0.000 1.175 137 A CA 1.664 53.726 52.037 0.042 0.000 0.627 137 A CB -0.917 18.125 19.000 0.070 0.000 0.815 137 A HN 0.366 nan 8.150 nan 0.000 0.443 138 V N -0.228 119.687 119.914 0.002 0.000 2.287 138 V HA -0.255 3.860 4.120 -0.009 0.000 0.248 138 V C 2.781 178.853 176.094 -0.036 0.000 1.053 138 V CA 2.582 64.867 62.300 -0.025 0.000 1.027 138 V CB -1.209 30.583 31.823 -0.053 0.000 0.646 138 V HN 0.616 nan 8.190 nan 0.000 0.447 139 T N 0.283 114.810 114.554 -0.045 0.000 2.643 139 T HA -0.185 4.159 4.350 -0.009 0.000 0.264 139 T C 2.087 176.775 174.700 -0.020 0.000 1.045 139 T CA 1.734 63.803 62.100 -0.052 0.000 1.155 139 T CB -0.570 68.250 68.868 -0.081 0.000 0.863 139 T HN 0.577 nan 8.240 nan 0.000 0.420 140 A N 1.640 124.461 122.820 0.001 0.000 1.903 140 A HA -0.063 4.251 4.320 -0.009 0.000 0.219 140 A C 2.644 180.250 177.584 0.037 0.000 1.191 140 A CA 2.305 54.364 52.037 0.036 0.000 0.638 140 A CB -1.262 17.767 19.000 0.049 0.000 0.823 140 A HN 0.548 nan 8.150 nan 0.000 0.451 141 A N -1.024 121.808 122.820 0.020 0.000 1.902 141 A HA 0.008 4.322 4.320 -0.009 0.000 0.217 141 A C 2.236 179.827 177.584 0.011 0.000 1.181 141 A CA 1.952 53.999 52.037 0.016 0.000 0.623 141 A CB -0.774 18.230 19.000 0.007 0.000 0.818 141 A HN 0.456 nan 8.150 nan 0.000 0.443 142 V N -0.677 119.237 119.914 -0.000 0.000 2.535 142 V HA -0.127 3.988 4.120 -0.009 0.000 0.246 142 V C 2.437 178.539 176.094 0.013 0.000 1.045 142 V CA 1.991 64.290 62.300 -0.003 0.000 1.058 142 V CB -0.501 31.309 31.823 -0.022 0.000 0.689 142 V HN 0.641 nan 8.190 nan 0.000 0.461 143 E N 0.909 121.122 120.200 0.021 0.000 2.110 143 E HA -0.194 4.150 4.350 -0.009 0.000 0.193 143 E C 2.091 178.731 176.600 0.066 0.000 0.988 143 E CA 1.889 58.314 56.400 0.042 0.000 0.804 143 E CB -0.096 29.634 29.700 0.049 0.000 0.745 143 E HN 0.749 nan 8.360 nan 0.000 0.458 144 T N -5.066 109.529 114.554 0.068 0.000 3.054 144 T HA 0.394 4.739 4.350 -0.009 0.000 0.255 144 T C 1.315 176.035 174.700 0.033 0.000 1.035 144 T CA 0.362 62.505 62.100 0.071 0.000 0.941 144 T CB 0.952 69.880 68.868 0.101 0.000 1.026 144 T HN 0.243 nan 8.240 nan 0.000 0.533 145 G N 1.245 110.060 108.800 0.025 0.000 2.184 145 G HA2 -0.217 3.737 3.960 -0.009 0.000 0.206 145 G HA3 -0.217 3.737 3.960 -0.009 0.000 0.206 145 G C 0.790 175.696 174.900 0.010 0.000 0.995 145 G CA 0.101 45.209 45.100 0.013 0.000 0.651 145 G HN 0.501 nan 8.290 nan 0.000 0.511 146 I N 0.263 120.841 120.570 0.014 0.000 2.163 146 I HA -0.088 4.077 4.170 -0.009 0.000 0.243 146 I C 1.235 177.356 176.117 0.008 0.000 1.085 146 I CA 1.453 62.760 61.300 0.012 0.000 1.347 146 I CB -0.308 37.702 38.000 0.017 0.000 1.044 146 I HN 0.091 nan 8.210 nan 0.000 0.408 147 V N 0.859 120.776 119.914 0.006 0.000 2.427 147 V HA 0.204 4.319 4.120 -0.009 0.000 0.286 147 V C 0.251 176.345 176.094 -0.000 0.000 1.034 147 V CA -0.454 61.847 62.300 0.001 0.000 0.893 147 V CB 1.540 33.361 31.823 -0.004 0.000 0.982 147 V HN 0.129 nan 8.190 nan 0.000 0.452 148 S N 2.829 118.529 115.700 -0.001 0.000 2.603 148 S HA 0.463 4.927 4.470 -0.009 0.000 0.268 148 S C -0.223 174.375 174.600 -0.003 0.000 1.317 148 S CA -0.449 57.751 58.200 -0.001 0.000 1.012 148 S CB 1.354 64.554 63.200 -0.000 0.000 0.926 148 S HN 0.507 nan 8.310 nan 0.000 0.539 149 V N 4.524 124.437 119.914 -0.002 0.000 2.347 149 V HA 0.317 4.431 4.120 -0.009 0.000 0.280 149 V C -2.108 173.986 176.094 -0.000 0.000 1.021 149 V CA -1.859 60.439 62.300 -0.002 0.000 0.847 149 V CB 0.529 32.351 31.823 -0.001 0.000 0.990 149 V HN 0.700 nan 8.190 nan 0.000 0.444 150 P HA 0.181 nan 4.420 nan 0.000 0.266 150 P C 0.061 177.363 177.300 0.003 0.000 1.193 150 P CA 0.127 63.227 63.100 0.001 0.000 0.770 150 P CB 0.426 32.127 31.700 0.001 0.000 0.836 151 A N 2.302 125.124 122.820 0.003 0.000 2.466 151 A HA 0.409 4.724 4.320 -0.009 0.000 0.238 151 A C 1.265 178.852 177.584 0.005 0.000 1.074 151 A CA 0.304 52.344 52.037 0.004 0.000 0.774 151 A CB -0.893 18.109 19.000 0.004 0.000 1.015 151 A HN 0.789 nan 8.150 nan 0.000 0.498 152 K N -1.214 119.189 120.400 0.006 0.000 2.960 152 K HA 0.040 4.354 4.320 -0.009 0.000 0.259 152 K C 0.529 177.134 176.600 0.008 0.000 1.025 152 K CA 2.117 58.409 56.287 0.007 0.000 0.756 152 K CB -2.674 29.829 32.500 0.006 0.000 1.221 152 K HN 2.523 nan 8.250 nan 0.000 0.483 153 A N -0.594 122.231 122.820 0.008 0.000 2.304 153 A HA 0.727 5.042 4.320 -0.009 0.000 0.301 153 A C 1.361 178.954 177.584 0.014 0.000 1.132 153 A CA 0.659 52.702 52.037 0.010 0.000 0.819 153 A CB 1.337 20.341 19.000 0.006 0.000 1.094 153 A HN 1.052 nan 8.150 nan 0.000 0.492 154 T N 0.689 115.256 114.554 0.022 0.000 2.990 154 T HA 0.223 4.568 4.350 -0.009 0.000 0.250 154 T C 0.189 174.922 174.700 0.055 0.000 1.041 154 T CA 0.538 62.658 62.100 0.034 0.000 1.010 154 T CB -0.493 68.395 68.868 0.034 0.000 1.003 154 T HN 0.758 nan 8.240 nan 0.000 0.499 155 N N -0.231 118.492 118.700 0.040 0.000 2.324 155 N HA 0.562 5.297 4.740 -0.009 0.000 0.285 155 N C -1.950 173.545 175.510 -0.026 0.000 1.076 155 N CA -0.719 52.346 53.050 0.024 0.000 0.864 155 N CB 2.761 41.300 38.487 0.086 0.000 1.632 155 N HN -0.084 nan 8.380 nan 0.000 0.478 156 V N 2.079 121.949 119.914 -0.074 0.000 2.444 156 V HA 0.526 4.640 4.120 -0.009 0.000 0.294 156 V C -2.338 173.710 176.094 -0.077 0.000 1.022 156 V CA -1.800 60.465 62.300 -0.058 0.000 0.850 156 V CB 1.552 33.346 31.823 -0.049 0.000 0.992 156 V HN 0.565 nan 8.190 nan 0.000 0.426 157 P HA 0.286 nan 4.420 nan 0.000 0.271 157 P C -0.846 176.429 177.300 -0.041 0.000 1.216 157 P CA -0.062 63.008 63.100 -0.048 0.000 0.771 157 P CB 0.942 32.625 31.700 -0.028 0.000 0.864 158 V N 4.665 124.553 119.914 -0.043 0.000 2.482 158 V HA 0.243 4.357 4.120 -0.009 0.000 0.295 158 V C -0.163 175.921 176.094 -0.015 0.000 1.026 158 V CA -0.643 61.642 62.300 -0.026 0.000 0.856 158 V CB 2.260 34.065 31.823 -0.030 0.000 1.001 158 V HN 0.203 nan 8.190 nan 0.000 0.424 159 V N 6.632 126.544 119.914 -0.003 0.000 2.370 159 V HA 0.481 4.596 4.120 -0.009 0.000 0.283 159 V C -0.103 176.001 176.094 0.017 0.000 1.023 159 V CA -0.453 61.850 62.300 0.006 0.000 0.857 159 V CB 1.664 33.490 31.823 0.005 0.000 0.985 159 V HN 0.632 nan 8.190 nan 0.000 0.443 160 L N 3.893 125.134 121.223 0.030 0.000 2.307 160 L HA 0.524 4.858 4.340 -0.009 0.000 0.282 160 L C -0.193 176.704 176.870 0.045 0.000 1.051 160 L CA -0.441 54.425 54.840 0.044 0.000 0.804 160 L CB 1.408 43.514 42.059 0.078 0.000 1.197 160 L HN 0.532 nan 8.230 nan 0.000 0.431 161 D N 2.368 122.787 120.400 0.033 0.000 2.412 161 D HA 0.262 4.896 4.640 -0.009 0.000 0.224 161 D C -0.290 176.022 176.300 0.020 0.000 1.093 161 D CA -0.124 53.890 54.000 0.024 0.000 0.850 161 D CB 1.011 41.819 40.800 0.013 0.000 1.046 161 D HN 0.584 nan 8.370 nan 0.000 0.507 162 T N 0.872 115.453 114.554 0.044 0.000 2.942 162 T HA 0.520 4.864 4.350 -0.009 0.000 0.289 162 T C -1.897 172.832 174.700 0.049 0.000 1.044 162 T CA -1.918 60.218 62.100 0.060 0.000 1.023 162 T CB 1.870 70.871 68.868 0.221 0.000 1.123 162 T HN -0.083 nan 8.240 nan 0.000 0.512 163 P HA -0.015 nan 4.420 nan 0.000 0.217 163 P C 1.192 178.518 177.300 0.043 0.000 1.148 163 P CA 1.322 64.439 63.100 0.029 0.000 0.828 163 P CB -0.180 31.548 31.700 0.047 0.000 0.783 164 A N -1.740 121.131 122.820 0.085 0.000 2.238 164 A HA 0.522 4.836 4.320 -0.009 0.000 0.210 164 A C 1.084 178.705 177.584 0.062 0.000 1.179 164 A CA 0.867 52.949 52.037 0.075 0.000 0.827 164 A CB -0.500 18.561 19.000 0.103 0.000 0.856 164 A HN 0.343 nan 8.150 nan 0.000 0.488 165 G N -1.565 107.269 108.800 0.057 0.000 2.343 165 G HA2 0.120 4.075 3.960 -0.009 0.000 0.465 165 G HA3 0.120 4.075 3.960 -0.009 0.000 0.465 165 G C -0.744 174.186 174.900 0.051 0.000 1.282 165 G CA -0.785 44.341 45.100 0.043 0.000 0.996 165 G HN 0.428 nan 8.290 nan 0.000 0.521 166 L N -0.106 121.140 121.223 0.038 0.000 2.453 166 L HA 0.446 4.780 4.340 -0.009 0.000 0.272 166 L C 0.443 177.340 176.870 0.045 0.000 1.182 166 L CA -0.546 54.316 54.840 0.038 0.000 0.858 166 L CB 0.953 43.026 42.059 0.024 0.000 1.120 166 L HN 0.362 nan 8.230 nan 0.000 0.474 167 V N 4.500 124.446 119.914 0.053 0.000 2.357 167 V HA 0.362 4.477 4.120 -0.009 0.000 0.284 167 V C 0.082 176.191 176.094 0.025 0.000 1.018 167 V CA -0.641 61.686 62.300 0.045 0.000 0.841 167 V CB 1.505 33.372 31.823 0.073 0.000 0.991 167 V HN 0.686 nan 8.190 nan 0.000 0.437 168 R N 3.351 123.856 120.500 0.008 0.000 2.229 168 R HA 0.699 5.034 4.340 -0.009 0.000 0.328 168 R C 0.277 176.565 176.300 -0.020 0.000 1.009 168 R CA -0.271 55.827 56.100 -0.004 0.000 0.864 168 R CB 1.767 32.065 30.300 -0.003 0.000 1.085 168 R HN 0.849 nan 8.270 nan 0.000 0.453 169 G N 0.676 109.457 108.800 -0.031 0.000 2.605 169 G HA2 0.547 4.501 3.960 -0.009 0.000 0.296 169 G HA3 0.547 4.501 3.960 -0.009 0.000 0.296 169 G C -1.074 173.773 174.900 -0.089 0.000 1.304 169 G CA -0.400 44.665 45.100 -0.059 0.000 0.941 169 G HN 0.351 nan 8.290 nan 0.000 0.475 170 T N 0.194 114.656 114.554 -0.152 0.000 2.879 170 T HA 0.624 4.969 4.350 -0.009 0.000 0.290 170 T C -0.073 174.369 174.700 -0.430 0.000 0.993 170 T CA -0.137 61.809 62.100 -0.258 0.000 0.975 170 T CB 1.601 70.314 68.868 -0.259 0.000 0.981 170 T HN 0.951 nan 8.240 nan 0.000 0.439 171 A N 3.476 126.092 122.820 -0.339 0.000 2.276 171 A HA 0.565 4.880 4.320 -0.009 0.000 0.300 171 A C -0.200 177.157 177.584 -0.378 0.000 1.235 171 A CA -0.566 51.287 52.037 -0.307 0.000 0.867 171 A CB 0.100 19.011 19.000 -0.149 0.000 1.137 171 A HN 0.850 nan 8.150 nan 0.000 0.527 172 H N 2.760 121.805 119.070 -0.042 0.000 2.489 172 H HA 0.350 4.900 4.556 -0.009 0.000 0.322 172 H C -0.415 174.896 175.328 -0.030 0.000 1.091 172 H CA -0.217 55.810 56.048 -0.034 0.000 1.291 172 H CB 1.045 30.785 29.762 -0.037 0.000 1.436 172 H HN 0.528 nan 8.280 nan 0.000 0.480 173 L N 2.252 123.521 121.223 0.078 0.000 2.334 173 L HA 0.182 4.516 4.340 -0.009 0.000 0.277 173 L C 0.993 177.888 176.870 0.041 0.000 1.075 173 L CA -0.475 54.388 54.840 0.039 0.000 0.804 173 L CB 1.047 43.120 42.059 0.024 0.000 1.174 173 L HN 0.459 nan 8.230 nan 0.000 0.438 174 Q N 1.503 121.320 119.800 0.028 0.000 2.300 174 Q HA -0.019 4.315 4.340 -0.009 0.000 0.280 174 Q C 0.991 177.004 176.000 0.021 0.000 1.033 174 Q CA 0.032 55.849 55.803 0.024 0.000 0.903 174 Q CB 1.023 29.774 28.738 0.022 0.000 1.195 174 Q HN 0.801 nan 8.270 nan 0.000 0.386 175 S N 2.821 118.532 115.700 0.018 0.000 2.426 175 S HA -0.239 4.226 4.470 -0.009 0.000 0.259 175 S C 1.021 175.630 174.600 0.015 0.000 1.096 175 S CA 1.786 59.995 58.200 0.015 0.000 1.219 175 S CB -0.353 62.853 63.200 0.011 0.000 1.124 175 S HN 0.883 nan 8.310 nan 0.000 0.436 176 G N 1.248 110.057 108.800 0.015 0.000 4.084 176 G HA2 0.461 4.415 3.960 -0.009 0.000 0.293 176 G HA3 0.461 4.415 3.960 -0.009 0.000 0.293 176 G C -0.046 174.863 174.900 0.015 0.000 1.303 176 G CA 0.238 45.346 45.100 0.014 0.000 1.289 176 G HN 0.621 nan 8.290 nan 0.000 0.609 177 T N -5.610 108.953 114.554 0.016 0.000 2.812 177 T HA 0.696 5.040 4.350 -0.009 0.000 0.294 177 T C 0.447 175.156 174.700 0.015 0.000 1.159 177 T CA 0.438 62.548 62.100 0.016 0.000 1.008 177 T CB 1.869 70.748 68.868 0.019 0.000 1.289 177 T HN 0.135 nan 8.240 nan 0.000 0.514 178 E N -0.529 119.680 120.200 0.014 0.000 2.413 178 E HA 0.358 4.703 4.350 -0.009 0.000 0.203 178 E C 1.379 177.985 176.600 0.011 0.000 0.957 178 E CA 0.710 57.117 56.400 0.012 0.000 0.950 178 E CB 0.188 29.895 29.700 0.011 0.000 0.957 178 E HN 1.282 nan 8.360 nan 0.000 0.497 179 S N -0.566 115.143 115.700 0.014 0.000 3.004 179 S HA 0.151 4.616 4.470 -0.009 0.000 0.244 179 S C -0.399 174.209 174.600 0.015 0.000 0.870 179 S CA -0.395 57.812 58.200 0.012 0.000 1.267 179 S CB -0.442 62.767 63.200 0.015 0.000 1.208 179 S HN 0.346 nan 8.310 nan 0.000 0.624 180 E N 2.004 122.214 120.200 0.017 0.000 2.180 180 E HA 0.319 4.663 4.350 -0.009 0.000 0.283 180 E C -0.703 175.900 176.600 0.006 0.000 1.061 180 E CA -0.379 56.032 56.400 0.017 0.000 0.861 180 E CB 1.461 31.176 29.700 0.024 0.000 1.056 180 E HN 0.227 nan 8.360 nan 0.000 0.407 181 V N 3.691 123.599 119.914 -0.010 0.000 2.455 181 V HA -0.060 4.055 4.120 -0.009 0.000 0.273 181 V C 1.361 177.433 176.094 -0.037 0.000 1.045 181 V CA 0.262 62.545 62.300 -0.028 0.000 0.976 181 V CB 1.097 32.887 31.823 -0.055 0.000 0.993 181 V HN 0.779 nan 8.190 nan 0.000 0.475 182 S N 3.814 119.509 115.700 -0.009 0.000 2.406 182 S HA 0.059 4.524 4.470 -0.009 0.000 0.224 182 S C 0.611 175.187 174.600 -0.040 0.000 1.030 182 S CA 0.516 58.708 58.200 -0.013 0.000 0.958 182 S CB -0.103 63.108 63.200 0.018 0.000 0.811 182 S HN 0.916 nan 8.310 nan 0.000 0.489 183 N N 0.423 119.124 118.700 0.002 0.000 3.339 183 N HA 0.635 5.370 4.740 -0.009 0.000 0.275 183 N C -1.754 173.760 175.510 0.006 0.000 1.514 183 N CA -0.424 52.616 53.050 -0.018 0.000 0.879 183 N CB 0.777 39.270 38.487 0.010 0.000 1.557 183 N HN 0.351 nan 8.380 nan 0.000 0.524 184 A N -0.482 122.315 122.820 -0.039 0.000 2.449 184 A HA 0.821 5.136 4.320 -0.009 0.000 0.302 184 A C -1.111 176.428 177.584 -0.076 0.000 1.048 184 A CA -0.571 51.400 52.037 -0.110 0.000 0.708 184 A CB 1.325 20.243 19.000 -0.137 0.000 1.274 184 A HN 0.576 nan 8.150 nan 0.000 0.410 185 S N 1.231 116.882 115.700 -0.082 0.000 2.501 185 S HA 0.752 5.217 4.470 -0.009 0.000 0.301 185 S C -0.597 173.956 174.600 -0.077 0.000 1.096 185 S CA -0.456 57.725 58.200 -0.031 0.000 1.063 185 S CB 0.894 64.157 63.200 0.106 0.000 1.042 185 S HN 0.516 nan 8.310 nan 0.000 0.494 186 I N 2.659 123.178 120.570 -0.085 0.000 2.533 186 I HA 0.382 4.547 4.170 -0.009 0.000 0.290 186 I C -0.502 175.580 176.117 -0.058 0.000 1.056 186 I CA -0.573 60.683 61.300 -0.074 0.000 1.057 186 I CB 1.784 39.727 38.000 -0.095 0.000 1.240 186 I HN 0.587 nan 8.210 nan 0.000 0.423 187 I N 4.834 125.381 120.570 -0.038 0.000 2.421 187 I HA 0.056 4.221 4.170 -0.009 0.000 0.291 187 I C 0.649 176.750 176.117 -0.027 0.000 1.089 187 I CA -0.026 61.256 61.300 -0.029 0.000 1.354 187 I CB 0.185 38.176 38.000 -0.016 0.000 1.413 187 I HN 0.590 nan 8.210 nan 0.000 0.513 188 N N 4.737 123.415 118.700 -0.035 0.000 2.424 188 N HA 0.229 4.964 4.740 -0.009 0.000 0.257 188 N C -0.259 175.251 175.510 0.000 0.000 1.250 188 N CA -0.539 52.490 53.050 -0.035 0.000 0.946 188 N CB 1.037 39.491 38.487 -0.056 0.000 1.175 188 N HN 0.378 nan 8.380 nan 0.000 0.477 189 V N 0.112 120.039 119.914 0.022 0.000 2.999 189 V HA 0.300 4.415 4.120 -0.009 0.000 0.307 189 V C -2.185 173.980 176.094 0.117 0.000 1.084 189 V CA -1.516 60.838 62.300 0.089 0.000 1.155 189 V CB -0.069 31.848 31.823 0.156 0.000 0.975 189 V HN 0.652 nan 8.190 nan 0.000 0.490 190 P HA 0.148 nan 4.420 nan 0.000 0.260 190 P C -0.340 177.117 177.300 0.262 0.000 1.172 190 P CA 0.680 63.885 63.100 0.175 0.000 0.760 190 P CB 0.269 32.081 31.700 0.188 0.000 0.773 191 S N 2.606 118.406 115.700 0.167 0.000 2.664 191 S HA 0.906 5.371 4.470 -0.009 0.000 0.304 191 S C -0.494 174.216 174.600 0.184 0.000 1.099 191 S CA -0.437 57.812 58.200 0.081 0.000 1.003 191 S CB 0.899 64.069 63.200 -0.051 0.000 1.092 191 S HN 0.472 nan 8.310 nan 0.000 0.525 192 F N -0.922 119.106 119.950 0.130 0.000 2.708 192 F HA 0.554 5.076 4.527 -0.008 0.000 0.309 192 F C -1.490 174.409 175.800 0.166 0.000 1.120 192 F CA -1.393 56.673 58.000 0.111 0.000 0.978 192 F CB 0.206 39.256 39.000 0.082 0.000 1.283 192 F HN 0.418 nan 8.300 nan 0.000 0.439 193 L N 3.384 124.810 121.223 0.337 0.000 2.453 193 L HA 0.228 4.563 4.340 -0.009 0.000 0.272 193 L C 0.038 177.203 176.870 0.492 0.000 1.182 193 L CA 0.334 55.353 54.840 0.297 0.000 0.858 193 L CB 0.661 42.828 42.059 0.181 0.000 1.120 193 L HN 0.830 nan 8.230 nan 0.000 0.474 194 Y N 3.099 123.609 120.300 0.350 0.000 2.506 194 Y HA 0.324 4.868 4.550 -0.009 0.000 0.287 194 Y C 0.609 176.616 175.900 0.178 0.000 1.147 194 Y CA 0.521 58.843 58.100 0.371 0.000 1.241 194 Y CB 0.383 39.130 38.460 0.478 0.000 1.279 194 Y HN 0.701 nan 8.280 nan 0.000 0.527 195 Q N 0.833 120.739 119.800 0.176 0.000 2.391 195 Q HA 0.278 4.613 4.340 -0.009 0.000 0.279 195 Q C -1.868 174.184 176.000 0.086 0.000 1.028 195 Q CA -0.783 55.038 55.803 0.030 0.000 0.836 195 Q CB 2.375 31.123 28.738 0.017 0.000 1.414 195 Q HN 0.352 nan 8.270 nan 0.000 0.397 196 Q N 1.610 121.435 119.800 0.041 0.000 2.413 196 Q HA 0.302 4.637 4.340 -0.009 0.000 0.276 196 Q C -1.118 174.905 176.000 0.038 0.000 1.099 196 Q CA -0.369 55.462 55.803 0.047 0.000 0.814 196 Q CB 1.240 29.997 28.738 0.031 0.000 1.379 196 Q HN 0.742 nan 8.270 nan 0.000 0.436 197 D N 0.725 121.152 120.400 0.045 0.000 2.686 197 D HA -0.150 4.485 4.640 -0.009 0.000 0.235 197 D C -0.718 175.604 176.300 0.037 0.000 1.160 197 D CA 0.613 54.637 54.000 0.039 0.000 0.645 197 D CB -1.694 39.123 40.800 0.029 0.000 1.039 197 D HN 0.239 nan 8.370 nan 0.000 0.423 198 V N 0.544 120.485 119.914 0.046 0.000 2.521 198 V HA 0.106 4.220 4.120 -0.009 0.000 0.286 198 V C 1.018 177.136 176.094 0.040 0.000 1.034 198 V CA -0.435 61.891 62.300 0.043 0.000 1.045 198 V CB 1.744 33.601 31.823 0.056 0.000 0.974 198 V HN 0.040 nan 8.190 nan 0.000 0.480 199 V N 6.742 126.676 119.914 0.032 0.000 2.318 199 V HA 0.339 4.454 4.120 -0.009 0.000 0.271 199 V C 0.029 176.141 176.094 0.030 0.000 1.030 199 V CA -0.355 61.963 62.300 0.031 0.000 0.844 199 V CB 1.473 33.312 31.823 0.026 0.000 1.015 199 V HN 0.718 nan 8.190 nan 0.000 0.460 200 V N 5.824 125.757 119.914 0.033 0.000 2.435 200 V HA 0.694 4.809 4.120 -0.009 0.000 0.290 200 V C -0.285 175.830 176.094 0.034 0.000 1.030 200 V CA -0.429 61.890 62.300 0.031 0.000 0.881 200 V CB 1.980 33.820 31.823 0.029 0.000 0.983 200 V HN 0.487 nan 8.190 nan 0.000 0.445 201 V N 6.918 126.852 119.914 0.033 0.000 2.364 201 V HA 0.468 4.582 4.120 -0.009 0.000 0.272 201 V C -0.018 176.103 176.094 0.045 0.000 1.036 201 V CA -0.424 61.899 62.300 0.038 0.000 0.880 201 V CB 0.527 32.368 31.823 0.030 0.000 0.991 201 V HN 0.738 nan 8.190 nan 0.000 0.460 202 L N 7.617 128.880 121.223 0.066 0.000 2.334 202 L HA 0.689 5.023 4.340 -0.009 0.000 0.272 202 L C -2.141 174.791 176.870 0.104 0.000 1.020 202 L CA -2.186 52.708 54.840 0.091 0.000 0.812 202 L CB 1.306 43.444 42.059 0.131 0.000 1.264 202 L HN 0.386 nan 8.230 nan 0.000 0.439 203 P HA 0.097 nan 4.420 nan 0.000 0.270 203 P C -0.806 176.543 177.300 0.082 0.000 1.223 203 P CA -0.372 62.778 63.100 0.083 0.000 0.785 203 P CB 0.317 32.064 31.700 0.078 0.000 0.923 204 K N 2.746 123.152 120.400 0.010 0.000 2.469 204 K HA 0.024 4.339 4.320 -0.009 0.000 0.274 204 K C -1.185 175.325 176.600 -0.150 0.000 0.983 204 K CA -0.566 55.681 56.287 -0.067 0.000 0.974 204 K CB -0.179 32.285 32.500 -0.060 0.000 0.913 204 K HN 0.465 nan 8.250 nan 0.000 0.493 205 P HA -0.023 nan 4.420 nan 0.000 0.257 205 P C -0.009 177.041 177.300 -0.417 0.000 1.281 205 P CA 0.725 63.587 63.100 -0.396 0.000 0.826 205 P CB 0.231 31.663 31.700 -0.446 0.000 1.237 206 Y N 0.678 120.977 120.300 -0.003 0.000 2.262 206 Y HA 0.229 4.774 4.550 -0.008 0.000 0.295 206 Y C 2.054 177.954 175.900 -0.001 0.000 1.121 206 Y CA 1.032 59.131 58.100 -0.002 0.000 1.144 206 Y CB -0.878 37.582 38.460 -0.000 0.000 1.043 206 Y HN 0.112 nan 8.280 nan 0.000 0.528 207 G N 0.968 109.844 108.800 0.128 0.000 2.553 207 G HA2 -0.322 3.633 3.960 -0.009 0.000 0.242 207 G HA3 -0.322 3.633 3.960 -0.009 0.000 0.242 207 G C -0.362 174.585 174.900 0.078 0.000 1.277 207 G CA -0.030 45.114 45.100 0.073 0.000 0.910 207 G HN 0.496 nan 8.290 nan 0.000 0.576 208 E N -1.004 119.227 120.200 0.053 0.000 2.313 208 E HA 0.594 4.938 4.350 -0.009 0.000 0.272 208 E C -0.656 175.972 176.600 0.048 0.000 1.038 208 E CA -0.832 55.596 56.400 0.046 0.000 0.863 208 E CB 1.635 31.355 29.700 0.033 0.000 1.060 208 E HN 0.801 nan 8.360 nan 0.000 0.402 209 V N 3.549 123.489 119.914 0.044 0.000 2.668 209 V HA 0.321 4.435 4.120 -0.009 0.000 0.304 209 V C -0.476 175.641 176.094 0.038 0.000 1.071 209 V CA -0.783 61.541 62.300 0.041 0.000 0.894 209 V CB 1.844 33.692 31.823 0.042 0.000 1.008 209 V HN 0.740 nan 8.190 nan 0.000 0.425 210 R N 3.129 123.651 120.500 0.037 0.000 2.221 210 R HA 0.733 5.067 4.340 -0.009 0.000 0.327 210 R C -0.663 175.671 176.300 0.056 0.000 1.033 210 R CA -0.207 55.919 56.100 0.043 0.000 0.887 210 R CB 1.408 31.732 30.300 0.039 0.000 1.057 210 R HN 0.706 nan 8.270 nan 0.000 0.455 211 V N 0.215 120.168 119.914 0.064 0.000 3.102 211 V HA 0.618 4.732 4.120 -0.009 0.000 0.312 211 V C -1.226 174.923 176.094 0.092 0.000 1.135 211 V CA -0.975 61.376 62.300 0.085 0.000 1.022 211 V CB 2.456 34.329 31.823 0.083 0.000 1.056 211 V HN 0.611 nan 8.190 nan 0.000 0.436 212 D N 1.818 122.284 120.400 0.111 0.000 2.342 212 D HA 0.650 5.285 4.640 -0.009 0.000 0.243 212 D C -0.742 175.647 176.300 0.147 0.000 1.019 212 D CA -0.058 54.010 54.000 0.114 0.000 0.864 212 D CB 2.380 43.236 40.800 0.093 0.000 1.315 212 D HN 0.674 nan 8.370 nan 0.000 0.468 213 I N 1.248 121.929 120.570 0.185 0.000 2.406 213 I HA 0.625 4.790 4.170 -0.009 0.000 0.290 213 I C -0.366 175.952 176.117 0.334 0.000 0.999 213 I CA -0.656 60.791 61.300 0.246 0.000 1.124 213 I CB 1.713 39.859 38.000 0.244 0.000 1.289 213 I HN 0.291 nan 8.210 nan 0.000 0.441 214 A N 5.939 128.965 122.820 0.344 0.000 2.549 214 A HA 0.677 4.992 4.320 -0.009 0.000 0.297 214 A C -1.682 176.045 177.584 0.238 0.000 1.061 214 A CA -0.431 51.772 52.037 0.276 0.000 0.690 214 A CB 1.537 20.607 19.000 0.116 0.000 1.287 214 A HN 0.581 nan 8.150 nan 0.000 0.402 215 F N 1.930 121.685 119.950 -0.326 0.000 2.415 215 F HA 0.597 5.119 4.527 -0.008 0.000 0.348 215 F C 0.915 176.430 175.800 -0.474 0.000 1.119 215 F CA 0.551 58.152 58.000 -0.665 0.000 1.069 215 F CB 1.830 39.900 39.000 -1.550 0.000 1.124 215 F HN 0.594 nan 8.300 nan 0.000 0.472 216 G N 2.095 110.452 108.800 -0.738 0.000 3.443 216 G HA2 0.417 4.372 3.960 -0.009 0.000 0.252 216 G HA3 0.417 4.372 3.960 -0.009 0.000 0.252 216 G C 0.597 175.111 174.900 -0.644 0.000 1.015 216 G CA 0.287 45.065 45.100 -0.535 0.000 0.891 216 G HN 1.238 nan 8.290 nan 0.000 0.510 217 G N -0.159 107.858 108.800 -1.304 0.000 3.859 217 G HA2 -0.071 3.884 3.960 -0.009 0.000 0.198 217 G HA3 -0.071 3.884 3.960 -0.009 0.000 0.198 217 G C -0.140 174.325 174.900 -0.724 0.000 0.972 217 G CA -0.342 44.301 45.100 -0.761 0.000 0.882 217 G HN 0.195 nan 8.290 nan 0.000 0.364 218 N N -0.173 118.124 118.700 -0.671 0.000 2.483 218 N HA 0.634 5.369 4.740 -0.009 0.000 0.285 218 N C -1.012 174.083 175.510 -0.691 0.000 1.210 218 N CA -0.450 52.249 53.050 -0.585 0.000 0.931 218 N CB 1.266 39.433 38.487 -0.535 0.000 1.220 218 N HN 0.052 nan 8.380 nan 0.000 0.542 219 F N 0.688 120.487 119.950 -0.252 0.000 2.471 219 F HA 0.266 4.788 4.527 -0.009 0.000 0.353 219 F C 0.261 175.884 175.800 -0.296 0.000 1.113 219 F CA 0.141 58.072 58.000 -0.115 0.000 1.262 219 F CB 0.431 39.404 39.000 -0.044 0.000 1.146 219 F HN 0.248 nan 8.300 nan 0.000 0.578 220 F N 1.241 121.275 119.950 0.140 0.000 2.546 220 F HA 0.632 5.153 4.527 -0.010 0.000 0.320 220 F C -0.089 175.772 175.800 0.102 0.000 1.076 220 F CA -1.133 56.914 58.000 0.078 0.000 0.928 220 F CB 1.672 40.685 39.000 0.022 0.000 1.189 220 F HN 0.408 nan 8.300 nan 0.000 0.465 221 A N 3.992 126.955 122.820 0.238 0.000 2.249 221 A HA 0.713 5.028 4.320 -0.009 0.000 0.314 221 A C -0.655 177.051 177.584 0.203 0.000 1.290 221 A CA -0.469 51.677 52.037 0.182 0.000 0.893 221 A CB -0.143 18.925 19.000 0.114 0.000 1.165 221 A HN 0.709 nan 8.150 nan 0.000 0.530 222 I N 2.914 123.599 120.570 0.190 0.000 2.315 222 I HA 0.447 4.612 4.170 -0.009 0.000 0.291 222 I C -0.445 175.803 176.117 0.218 0.000 1.006 222 I CA -0.579 60.840 61.300 0.198 0.000 1.265 222 I CB 1.515 39.586 38.000 0.118 0.000 1.387 222 I HN 0.345 nan 8.210 nan 0.000 0.475 223 V N 8.911 128.971 119.914 0.243 0.000 2.668 223 V HA 0.464 4.579 4.120 -0.009 0.000 0.304 223 V C -2.496 173.583 176.094 -0.025 0.000 1.071 223 V CA -2.016 60.360 62.300 0.127 0.000 0.894 223 V CB 2.750 34.610 31.823 0.062 0.000 1.008 223 V HN 0.457 nan 8.190 nan 0.000 0.425 224 P HA 0.197 nan 4.420 nan 0.000 0.267 224 P C 0.630 177.756 177.300 -0.289 0.000 1.205 224 P CA 0.446 63.169 63.100 -0.630 0.000 0.765 224 P CB 1.155 32.564 31.700 -0.486 0.000 0.828 225 A N 4.299 126.959 122.820 -0.267 0.000 1.927 225 A HA -0.271 4.043 4.320 -0.009 0.000 0.220 225 A C 2.076 179.615 177.584 -0.076 0.000 1.185 225 A CA 1.873 53.839 52.037 -0.118 0.000 0.639 225 A CB -1.184 17.764 19.000 -0.087 0.000 0.820 225 A HN 0.643 nan 8.150 nan 0.000 0.451 226 E N -0.259 119.880 120.200 -0.102 0.000 2.130 226 E HA -0.320 4.024 4.350 -0.009 0.000 0.196 226 E C 2.000 178.585 176.600 -0.025 0.000 0.998 226 E CA 1.983 58.352 56.400 -0.051 0.000 0.806 226 E CB -0.275 29.392 29.700 -0.056 0.000 0.738 226 E HN 0.647 nan 8.360 nan 0.000 0.459 227 Q N 0.260 120.037 119.800 -0.040 0.000 2.124 227 Q HA -0.024 4.310 4.340 -0.009 0.000 0.202 227 Q C 2.259 178.284 176.000 0.043 0.000 0.977 227 Q CA 1.369 57.170 55.803 -0.004 0.000 0.850 227 Q CB -0.077 28.648 28.738 -0.021 0.000 0.901 227 Q HN 0.395 nan 8.270 nan 0.000 0.429 228 L N -2.051 119.203 121.223 0.052 0.000 2.446 228 L HA 0.229 4.563 4.340 -0.009 0.000 0.219 228 L C 1.262 178.253 176.870 0.201 0.000 1.116 228 L CA 0.432 55.367 54.840 0.159 0.000 0.844 228 L CB -0.113 41.989 42.059 0.071 0.000 0.970 228 L HN 0.444 nan 8.230 nan 0.000 0.457 229 G N 1.263 110.117 108.800 0.089 0.000 2.147 229 G HA2 -0.281 3.674 3.960 -0.009 0.000 0.244 229 G HA3 -0.281 3.674 3.960 -0.009 0.000 0.244 229 G C -0.022 174.914 174.900 0.059 0.000 1.005 229 G CA -0.001 45.132 45.100 0.056 0.000 0.713 229 G HN 0.297 nan 8.290 nan 0.000 0.515 230 I N 1.178 121.789 120.570 0.068 0.000 2.406 230 I HA 0.315 4.480 4.170 -0.009 0.000 0.290 230 I C -0.441 175.690 176.117 0.023 0.000 0.999 230 I CA -0.935 60.399 61.300 0.056 0.000 1.124 230 I CB 1.508 39.558 38.000 0.082 0.000 1.289 230 I HN -0.033 nan 8.210 nan 0.000 0.441 231 D N 7.281 127.690 120.400 0.015 0.000 2.351 231 D HA 0.269 4.904 4.640 -0.009 0.000 0.251 231 D C 0.186 176.488 176.300 0.004 0.000 1.137 231 D CA -0.068 53.936 54.000 0.006 0.000 0.879 231 D CB 1.756 42.560 40.800 0.006 0.000 1.181 231 D HN 0.337 nan 8.370 nan 0.000 0.448 232 I N 2.437 123.006 120.570 -0.000 0.000 2.581 232 I HA -0.078 4.087 4.170 -0.009 0.000 0.285 232 I C 0.864 176.978 176.117 -0.004 0.000 1.129 232 I CA 0.672 61.970 61.300 -0.004 0.000 1.397 232 I CB -0.083 37.913 38.000 -0.006 0.000 1.399 232 I HN 0.321 nan 8.210 nan 0.000 0.537 233 S N 3.949 119.645 115.700 -0.006 0.000 2.625 233 S HA 0.390 4.855 4.470 -0.009 0.000 0.271 233 S C 0.414 175.007 174.600 -0.011 0.000 1.161 233 S CA -0.954 57.240 58.200 -0.009 0.000 0.820 233 S CB 1.553 64.749 63.200 -0.006 0.000 1.137 233 S HN 0.173 nan 8.310 nan 0.000 0.470 234 V N 1.401 121.305 119.914 -0.016 0.000 2.255 234 V HA -0.171 3.944 4.120 -0.009 0.000 0.247 234 V C 2.655 178.742 176.094 -0.013 0.000 1.051 234 V CA 2.021 64.311 62.300 -0.017 0.000 1.018 234 V CB -0.977 30.833 31.823 -0.022 0.000 0.641 234 V HN 0.846 nan 8.190 nan 0.000 0.445 235 Q N -0.005 119.788 119.800 -0.011 0.000 2.234 235 Q HA -0.150 4.185 4.340 -0.009 0.000 0.206 235 Q C 1.828 177.826 176.000 -0.003 0.000 0.980 235 Q CA 1.351 57.149 55.803 -0.008 0.000 0.869 235 Q CB -0.813 27.920 28.738 -0.008 0.000 0.912 235 Q HN 0.747 nan 8.270 nan 0.000 0.436 236 N N -0.202 118.498 118.700 0.000 0.000 2.398 236 N HA -0.028 4.707 4.740 -0.009 0.000 0.188 236 N C 1.324 176.839 175.510 0.009 0.000 1.122 236 N CA -0.296 52.759 53.050 0.008 0.000 0.866 236 N CB 0.134 38.628 38.487 0.012 0.000 0.970 236 N HN 0.029 nan 8.380 nan 0.000 0.462 237 L N 1.347 122.571 121.223 0.000 0.000 2.043 237 L HA -0.226 4.109 4.340 -0.009 0.000 0.212 237 L C 2.370 179.240 176.870 -0.000 0.000 1.075 237 L CA 1.768 56.607 54.840 -0.002 0.000 0.752 237 L CB -0.856 41.199 42.059 -0.007 0.000 0.891 237 L HN 0.159 nan 8.230 nan 0.000 0.432 238 S N -1.102 114.598 115.700 0.001 0.000 2.383 238 S HA -0.191 4.273 4.470 -0.009 0.000 0.227 238 S C 2.089 176.698 174.600 0.015 0.000 1.026 238 S CA 0.877 59.079 58.200 0.002 0.000 0.981 238 S CB -0.578 62.623 63.200 0.001 0.000 0.818 238 S HN 0.514 nan 8.310 nan 0.000 0.472 239 R N 1.055 121.575 120.500 0.033 0.000 2.083 239 R HA 0.059 4.394 4.340 -0.009 0.000 0.237 239 R C 2.396 178.720 176.300 0.040 0.000 1.137 239 R CA 1.700 57.843 56.100 0.072 0.000 0.951 239 R CB -0.838 29.517 30.300 0.092 0.000 0.851 239 R HN 0.395 nan 8.270 nan 0.000 0.434 240 L N 0.711 121.941 121.223 0.013 0.000 2.042 240 L HA -0.250 4.084 4.340 -0.009 0.000 0.210 240 L C 2.629 179.473 176.870 -0.044 0.000 1.076 240 L CA 1.538 56.365 54.840 -0.022 0.000 0.749 240 L CB -0.424 41.630 42.059 -0.008 0.000 0.893 240 L HN 0.255 nan 8.230 nan 0.000 0.432 241 Q N -0.186 119.599 119.800 -0.027 0.000 2.020 241 Q HA -0.248 4.087 4.340 -0.009 0.000 0.202 241 Q C 2.194 178.164 176.000 -0.050 0.000 0.982 241 Q CA 1.868 57.651 55.803 -0.033 0.000 0.838 241 Q CB -0.116 28.605 28.738 -0.027 0.000 0.899 241 Q HN 0.493 nan 8.270 nan 0.000 0.423 242 E N 0.338 120.515 120.200 -0.039 0.000 2.065 242 E HA -0.272 4.073 4.350 -0.009 0.000 0.201 242 E C 1.904 178.426 176.600 -0.130 0.000 1.016 242 E CA 1.318 57.694 56.400 -0.041 0.000 0.818 242 E CB -0.224 29.493 29.700 0.028 0.000 0.749 242 E HN 0.395 nan 8.360 nan 0.000 0.453 243 A N 0.890 123.554 122.820 -0.260 0.000 1.898 243 A HA -0.077 4.237 4.320 -0.009 0.000 0.216 243 A C 2.449 179.852 177.584 -0.301 0.000 1.181 243 A CA 1.651 53.354 52.037 -0.556 0.000 0.620 243 A CB -1.156 17.370 19.000 -0.791 0.000 0.819 243 A HN 0.372 nan 8.150 nan 0.000 0.442 244 G N -0.598 108.102 108.800 -0.166 0.000 2.440 244 G HA2 -0.222 3.733 3.960 -0.009 0.000 0.218 244 G HA3 -0.222 3.733 3.960 -0.009 0.000 0.218 244 G C 1.453 176.321 174.900 -0.052 0.000 1.154 244 G CA 1.344 46.397 45.100 -0.078 0.000 0.767 244 G HN 0.509 nan 8.290 nan 0.000 0.552 245 E N -0.073 120.095 120.200 -0.053 0.000 2.028 245 E HA -0.014 4.330 4.350 -0.009 0.000 0.191 245 E C 2.656 179.238 176.600 -0.031 0.000 0.988 245 E CA 0.161 56.546 56.400 -0.025 0.000 0.799 245 E CB -0.339 29.350 29.700 -0.019 0.000 0.755 245 E HN 0.163 nan 8.360 nan 0.000 0.447 246 L N 0.248 121.435 121.223 -0.060 0.000 2.010 246 L HA -0.236 4.099 4.340 -0.009 0.000 0.219 246 L C 2.362 179.209 176.870 -0.038 0.000 1.077 246 L CA 1.541 56.351 54.840 -0.050 0.000 0.773 246 L CB -1.269 40.741 42.059 -0.082 0.000 0.892 246 L HN 0.295 nan 8.230 nan 0.000 0.436 247 L N -0.104 121.082 121.223 -0.062 0.000 2.017 247 L HA -0.194 4.141 4.340 -0.009 0.000 0.208 247 L C 2.878 179.745 176.870 -0.005 0.000 1.073 247 L CA 1.780 56.600 54.840 -0.033 0.000 0.745 247 L CB -0.705 41.327 42.059 -0.046 0.000 0.894 247 L HN 0.208 nan 8.230 nan 0.000 0.432 248 R N -1.071 119.429 120.500 -0.002 0.000 2.073 248 R HA -0.193 4.142 4.340 -0.009 0.000 0.234 248 R C 2.341 178.650 176.300 0.014 0.000 1.134 248 R CA 2.172 58.279 56.100 0.012 0.000 0.952 248 R CB -0.610 29.701 30.300 0.019 0.000 0.850 248 R HN 0.609 nan 8.270 nan 0.000 0.433 249 T N -1.094 113.469 114.554 0.016 0.000 2.746 249 T HA -0.170 4.174 4.350 -0.009 0.000 0.267 249 T C 1.768 176.479 174.700 0.017 0.000 1.039 249 T CA 1.614 63.727 62.100 0.022 0.000 1.142 249 T CB -0.228 68.656 68.868 0.027 0.000 0.866 249 T HN 0.371 nan 8.240 nan 0.000 0.444 250 E N 0.658 120.865 120.200 0.013 0.000 2.150 250 E HA 0.041 4.386 4.350 -0.009 0.000 0.193 250 E C 1.942 178.551 176.600 0.015 0.000 0.985 250 E CA 0.935 57.344 56.400 0.015 0.000 0.814 250 E CB -0.602 29.108 29.700 0.016 0.000 0.752 250 E HN 0.729 nan 8.360 nan 0.000 0.466 251 I N 0.251 120.829 120.570 0.013 0.000 2.277 251 I HA -0.196 3.969 4.170 -0.009 0.000 0.243 251 I C 1.876 177.995 176.117 0.003 0.000 1.094 251 I CA 0.581 61.888 61.300 0.011 0.000 1.393 251 I CB -0.205 37.803 38.000 0.013 0.000 1.078 251 I HN 0.115 nan 8.210 nan 0.000 0.417 252 N N 0.827 119.528 118.700 0.002 0.000 2.149 252 N HA -0.235 4.500 4.740 -0.009 0.000 0.188 252 N C 1.889 177.403 175.510 0.005 0.000 1.019 252 N CA 1.164 54.213 53.050 -0.002 0.000 0.857 252 N CB -0.432 38.058 38.487 0.005 0.000 0.997 252 N HN 0.328 nan 8.380 nan 0.000 0.426 253 R N 0.398 120.905 120.500 0.012 0.000 2.148 253 R HA 0.057 4.392 4.340 -0.009 0.000 0.227 253 R C 1.103 177.411 176.300 0.014 0.000 1.103 253 R CA 1.237 57.346 56.100 0.015 0.000 0.983 253 R CB 0.177 30.487 30.300 0.018 0.000 0.874 253 R HN 0.072 nan 8.270 nan 0.000 0.451 254 S N -1.132 114.576 115.700 0.013 0.000 2.524 254 S HA 0.113 4.577 4.470 -0.009 0.000 0.222 254 S C 1.282 175.891 174.600 0.016 0.000 1.040 254 S CA -0.033 58.175 58.200 0.015 0.000 0.915 254 S CB 1.233 64.444 63.200 0.017 0.000 0.831 254 S HN 0.113 nan 8.310 nan 0.000 0.492 255 V N 0.290 120.212 119.914 0.013 0.000 3.379 255 V HA 0.266 4.380 4.120 -0.009 0.000 0.249 255 V C -0.346 175.758 176.094 0.017 0.000 1.184 255 V CA 0.023 62.335 62.300 0.020 0.000 1.106 255 V CB -0.392 31.447 31.823 0.027 0.000 0.826 255 V HN 0.208 nan 8.190 nan 0.000 0.465 256 K N 1.259 121.655 120.400 -0.007 0.000 5.349 256 K HA -0.131 4.184 4.320 -0.009 0.000 0.360 256 K C -0.527 176.062 176.600 -0.018 0.000 0.960 256 K CA 0.882 57.162 56.287 -0.012 0.000 1.134 256 K CB -1.579 30.929 32.500 0.012 0.000 1.782 256 K HN 0.589 nan 8.250 nan 0.000 0.408 257 V N -0.691 119.139 119.914 -0.141 0.000 2.743 257 V HA 0.812 4.926 4.120 -0.009 0.000 0.301 257 V C 0.060 175.972 176.094 -0.303 0.000 1.057 257 V CA -0.540 61.548 62.300 -0.353 0.000 1.006 257 V CB 1.983 33.230 31.823 -0.960 0.000 1.024 257 V HN 0.517 nan 8.190 nan 0.000 0.473 258 Q N 1.718 121.371 119.800 -0.245 0.000 2.268 258 Q HA 0.332 4.667 4.340 -0.009 0.000 0.266 258 Q C -0.959 175.166 176.000 0.208 0.000 1.006 258 Q CA -0.372 55.449 55.803 0.029 0.000 0.824 258 Q CB 1.273 30.071 28.738 0.100 0.000 1.306 258 Q HN 1.056 nan 8.270 nan 0.000 0.424 259 H N 5.752 124.979 119.070 0.261 0.000 2.848 259 H HA 0.115 4.666 4.556 -0.009 0.000 0.341 259 H C -1.720 173.662 175.328 0.090 0.000 1.060 259 H CA -1.108 55.057 56.048 0.195 0.000 1.444 259 H CB 1.369 31.082 29.762 -0.081 0.000 1.446 259 H HN 0.576 nan 8.280 nan 0.000 0.583 260 P HA -0.085 nan 4.420 nan 0.000 0.217 260 P C 0.328 177.722 177.300 0.157 0.000 1.151 260 P CA 1.187 64.362 63.100 0.124 0.000 0.828 260 P CB 0.480 32.167 31.700 -0.022 0.000 0.788 261 Q N -0.895 119.073 119.800 0.279 0.000 2.247 261 Q HA 0.304 4.638 4.340 -0.009 0.000 0.204 261 Q C 0.309 176.290 176.000 -0.031 0.000 0.872 261 Q CA 0.242 56.106 55.803 0.102 0.000 0.951 261 Q CB 0.341 29.122 28.738 0.072 0.000 1.099 261 Q HN 0.217 nan 8.270 nan 0.000 0.501 262 L N 0.823 121.987 121.223 -0.099 0.000 2.481 262 L HA 0.327 4.661 4.340 -0.009 0.000 0.255 262 L C -2.174 174.648 176.870 -0.080 0.000 1.192 262 L CA -1.505 53.216 54.840 -0.199 0.000 0.924 262 L CB 1.806 43.483 42.059 -0.636 0.000 1.179 262 L HN -0.080 nan 8.230 nan 0.000 0.491 263 P HA -0.159 nan 4.420 nan 0.000 0.222 263 P C 1.396 178.737 177.300 0.070 0.000 1.147 263 P CA 1.019 64.160 63.100 0.068 0.000 0.790 263 P CB -0.098 31.650 31.700 0.080 0.000 0.780 264 H N -0.822 118.270 119.070 0.037 0.000 2.518 264 H HA 0.017 4.567 4.556 -0.009 0.000 0.289 264 H C 0.422 175.797 175.328 0.077 0.000 1.051 264 H CA 0.492 56.567 56.048 0.045 0.000 1.280 264 H CB -0.767 29.011 29.762 0.028 0.000 1.380 264 H HN 0.172 nan 8.280 nan 0.000 0.566 265 I N 3.121 123.532 120.570 -0.265 0.000 2.310 265 I HA 0.092 4.257 4.170 -0.009 0.000 0.287 265 I C 0.249 176.440 176.117 0.124 0.000 1.073 265 I CA -0.133 61.120 61.300 -0.078 0.000 1.216 265 I CB 0.605 38.537 38.000 -0.113 0.000 1.415 265 I HN 0.355 nan 8.210 nan 0.000 0.480 266 N N 2.838 121.595 118.700 0.094 0.000 2.240 266 N HA 0.112 4.847 4.740 -0.009 0.000 0.240 266 N C -0.019 175.491 175.510 -0.000 0.000 1.277 266 N CA -0.437 52.640 53.050 0.046 0.000 0.873 266 N CB 0.810 39.322 38.487 0.040 0.000 1.222 266 N HN 0.502 nan 8.380 nan 0.000 0.507 267 T N -2.786 111.787 114.554 0.033 0.000 2.831 267 T HA 0.528 4.873 4.350 -0.009 0.000 0.287 267 T C -0.747 173.960 174.700 0.011 0.000 1.070 267 T CA -0.670 61.428 62.100 -0.003 0.000 1.010 267 T CB 1.995 70.879 68.868 0.026 0.000 1.264 267 T HN -0.141 nan 8.240 nan 0.000 0.532 268 V N 2.040 121.945 119.914 -0.015 0.000 2.334 268 V HA 0.366 4.480 4.120 -0.009 0.000 0.281 268 V C -0.292 175.803 176.094 0.001 0.000 1.016 268 V CA -0.506 61.798 62.300 0.007 0.000 0.832 268 V CB 1.227 33.037 31.823 -0.022 0.000 0.999 268 V HN 0.961 nan 8.190 nan 0.000 0.439 269 D N 1.937 122.319 120.400 -0.029 0.000 2.389 269 D HA 0.171 4.805 4.640 -0.009 0.000 0.206 269 D C 0.218 176.488 176.300 -0.051 0.000 1.055 269 D CA 0.565 54.546 54.000 -0.031 0.000 0.856 269 D CB 0.679 41.461 40.800 -0.032 0.000 0.957 269 D HN 0.519 nan 8.370 nan 0.000 0.509 270 C N 0.547 119.754 119.300 -0.156 0.000 2.626 270 C HA 0.649 5.104 4.460 -0.009 0.000 0.310 270 C C -0.074 174.927 174.990 0.019 0.000 1.191 270 C CA -0.878 58.067 59.018 -0.122 0.000 1.517 270 C CB 2.280 29.703 27.740 -0.530 0.000 2.102 270 C HN -0.132 nan 8.230 nan 0.000 0.479 271 V N 2.149 122.137 119.914 0.123 0.000 2.487 271 V HA 0.455 4.569 4.120 -0.009 0.000 0.298 271 V C -0.218 176.002 176.094 0.210 0.000 1.028 271 V CA -0.281 62.111 62.300 0.154 0.000 0.860 271 V CB 1.607 33.481 31.823 0.086 0.000 0.991 271 V HN 0.896 nan 8.190 nan 0.000 0.427 272 E N 5.288 125.637 120.200 0.249 0.000 2.114 272 E HA 0.511 4.855 4.350 -0.009 0.000 0.266 272 E C -1.228 175.487 176.600 0.192 0.000 0.896 272 E CA -0.499 56.035 56.400 0.224 0.000 0.750 272 E CB 1.088 30.925 29.700 0.229 0.000 1.121 272 E HN 0.646 nan 8.360 nan 0.000 0.413 273 I N 6.092 126.741 120.570 0.132 0.000 2.339 273 I HA 0.292 4.457 4.170 -0.009 0.000 0.290 273 I C -0.497 175.689 176.117 0.117 0.000 0.994 273 I CA -1.022 60.334 61.300 0.093 0.000 1.191 273 I CB 0.405 38.420 38.000 0.026 0.000 1.343 273 I HN 0.485 nan 8.210 nan 0.000 0.458 274 Y N 4.423 124.726 120.300 0.006 0.000 2.562 274 Y HA 0.994 5.539 4.550 -0.007 0.000 0.343 274 Y C -0.051 175.856 175.900 0.012 0.000 1.025 274 Y CA -0.787 57.321 58.100 0.013 0.000 1.082 274 Y CB 2.015 40.510 38.460 0.059 0.000 1.264 274 Y HN 0.619 nan 8.280 nan 0.000 0.478 275 G N 0.593 109.478 108.800 0.142 0.000 2.548 275 G HA2 0.503 4.458 3.960 -0.009 0.000 0.301 275 G HA3 0.503 4.458 3.960 -0.009 0.000 0.301 275 G C -3.463 171.620 174.900 0.304 0.000 1.349 275 G CA -1.735 43.422 45.100 0.095 0.000 0.792 275 G HN 0.463 nan 8.290 nan 0.000 0.481 276 P HA 0.236 nan 4.420 nan 0.000 0.267 276 P C -2.291 175.106 177.300 0.162 0.000 1.200 276 P CA -0.658 62.576 63.100 0.223 0.000 0.772 276 P CB 0.418 32.194 31.700 0.127 0.000 0.855 277 P HA 0.162 nan 4.420 nan 0.000 0.278 277 P C 0.061 177.382 177.300 0.034 0.000 1.258 277 P CA -0.070 63.072 63.100 0.071 0.000 0.811 277 P CB 0.991 32.706 31.700 0.026 0.000 1.063 278 T N -1.110 113.455 114.554 0.018 0.000 3.004 278 T HA 0.017 4.362 4.350 -0.009 0.000 0.243 278 T C 0.969 175.668 174.700 -0.002 0.000 1.020 278 T CA 0.614 62.718 62.100 0.006 0.000 1.145 278 T CB -0.509 68.359 68.868 0.001 0.000 0.876 278 T HN 0.429 nan 8.240 nan 0.000 0.449 279 N N 2.829 121.525 118.700 -0.006 0.000 2.452 279 N HA 0.075 4.810 4.740 -0.009 0.000 0.266 279 N C -1.973 173.525 175.510 -0.020 0.000 1.175 279 N CA -1.661 51.382 53.050 -0.012 0.000 0.945 279 N CB 1.637 40.117 38.487 -0.013 0.000 1.063 279 N HN 0.092 nan 8.380 nan 0.000 0.472 280 P HA 0.017 nan 4.420 nan 0.000 0.241 280 P C 0.165 177.441 177.300 -0.040 0.000 1.191 280 P CA 0.778 63.861 63.100 -0.029 0.000 0.771 280 P CB 0.376 32.063 31.700 -0.021 0.000 0.929 281 E N -0.154 120.024 120.200 -0.036 0.000 2.427 281 E HA 0.111 4.456 4.350 -0.009 0.000 0.196 281 E C 0.766 177.325 176.600 -0.069 0.000 1.028 281 E CA -0.015 56.359 56.400 -0.043 0.000 0.864 281 E CB 0.013 29.696 29.700 -0.028 0.000 0.813 281 E HN 0.228 nan 8.360 nan 0.000 0.514 282 A N 0.804 123.578 122.820 -0.077 0.000 2.312 282 A HA 0.285 4.600 4.320 -0.009 0.000 0.326 282 A C 0.172 177.648 177.584 -0.180 0.000 1.172 282 A CA -0.622 51.346 52.037 -0.115 0.000 0.821 282 A CB 0.722 19.687 19.000 -0.058 0.000 1.166 282 A HN -0.029 nan 8.150 nan 0.000 0.493 283 N N -0.220 118.288 118.700 -0.320 0.000 2.120 283 N HA 0.034 4.769 4.740 -0.009 0.000 0.188 283 N C -0.601 174.585 175.510 -0.541 0.000 1.024 283 N CA 1.859 54.622 53.050 -0.477 0.000 0.852 283 N CB -0.185 37.926 38.487 -0.626 0.000 1.003 283 N HN 0.709 nan 8.380 nan 0.000 0.424 284 Y N -1.791 118.528 120.300 0.032 0.000 2.725 284 Y HA 0.364 4.908 4.550 -0.010 0.000 0.333 284 Y C -0.673 175.371 175.900 0.241 0.000 1.242 284 Y CA -1.291 56.948 58.100 0.233 0.000 1.059 284 Y CB 1.199 39.931 38.460 0.453 0.000 1.306 284 Y HN -0.367 nan 8.280 nan 0.000 0.454 285 K N 1.550 122.174 120.400 0.374 0.000 2.316 285 K HA 0.684 4.998 4.320 -0.009 0.000 0.251 285 K C -1.578 174.996 176.600 -0.044 0.000 0.934 285 K CA -0.501 55.834 56.287 0.080 0.000 0.802 285 K CB 2.156 34.692 32.500 0.060 0.000 1.171 285 K HN 0.929 nan 8.250 nan 0.000 0.426 286 N N 0.240 118.754 118.700 -0.309 0.000 2.610 286 N HA 0.453 5.188 4.740 -0.009 0.000 0.264 286 N C -2.129 173.259 175.510 -0.204 0.000 1.348 286 N CA -0.941 51.935 53.050 -0.289 0.000 0.819 286 N CB 2.429 40.581 38.487 -0.560 0.000 1.521 286 N HN 0.219 nan 8.380 nan 0.000 0.497 287 V N 1.497 121.354 119.914 -0.095 0.000 2.623 287 V HA 0.534 4.648 4.120 -0.009 0.000 0.304 287 V C -1.310 174.800 176.094 0.027 0.000 1.054 287 V CA -0.560 61.714 62.300 -0.043 0.000 0.882 287 V CB 1.661 33.473 31.823 -0.018 0.000 1.002 287 V HN 0.654 nan 8.190 nan 0.000 0.424 288 V N 8.157 128.111 119.914 0.066 0.000 2.383 288 V HA 0.471 4.586 4.120 -0.009 0.000 0.275 288 V C -0.110 176.143 176.094 0.266 0.000 1.036 288 V CA -0.376 62.026 62.300 0.170 0.000 0.889 288 V CB 1.434 33.364 31.823 0.179 0.000 0.985 288 V HN 0.683 nan 8.190 nan 0.000 0.459 289 I N 7.305 128.016 120.570 0.234 0.000 2.336 289 I HA 0.624 4.789 4.170 -0.009 0.000 0.292 289 I C -0.219 176.060 176.117 0.271 0.000 0.991 289 I CA -0.064 61.351 61.300 0.193 0.000 1.227 289 I CB 0.871 38.913 38.000 0.071 0.000 1.366 289 I HN 0.633 nan 8.210 nan 0.000 0.466 290 F N 3.833 123.799 119.950 0.026 0.000 2.985 290 F HA 0.875 5.397 4.527 -0.008 0.000 0.322 290 F C 0.587 176.409 175.800 0.037 0.000 1.187 290 F CA -0.302 57.707 58.000 0.015 0.000 0.910 290 F CB 0.422 39.427 39.000 0.008 0.000 1.411 290 F HN 0.793 nan 8.300 nan 0.000 0.492 291 G N 1.883 110.664 108.800 -0.031 0.000 2.596 291 G HA2 -0.325 3.630 3.960 -0.009 0.000 0.295 291 G HA3 -0.325 3.630 3.960 -0.009 0.000 0.295 291 G C -0.847 173.969 174.900 -0.139 0.000 1.240 291 G CA 0.563 45.584 45.100 -0.132 0.000 0.985 291 G HN 1.435 nan 8.290 nan 0.000 0.555 292 N N 0.818 119.422 118.700 -0.159 0.000 2.707 292 N HA 0.479 5.214 4.740 -0.009 0.000 0.235 292 N C 0.388 175.847 175.510 -0.086 0.000 1.028 292 N CA -0.069 52.948 53.050 -0.054 0.000 0.906 292 N CB -0.067 38.402 38.487 -0.031 0.000 1.131 292 N HN 0.743 nan 8.380 nan 0.000 0.509 293 R N 0.841 121.291 120.500 -0.084 0.000 3.092 293 R HA -0.246 4.088 4.340 -0.009 0.000 0.245 293 R C -0.760 175.437 176.300 -0.172 0.000 0.881 293 R CA 0.758 56.797 56.100 -0.101 0.000 0.614 293 R CB -1.527 28.748 30.300 -0.042 0.000 1.128 293 R HN 0.703 nan 8.270 nan 0.000 0.483 294 Q N -0.266 119.328 119.800 -0.343 0.000 2.387 294 Q HA 0.797 5.132 4.340 -0.009 0.000 0.273 294 Q C -0.744 175.066 176.000 -0.317 0.000 1.089 294 Q CA -0.648 54.900 55.803 -0.425 0.000 0.824 294 Q CB 2.441 30.689 28.738 -0.818 0.000 1.367 294 Q HN 0.413 nan 8.270 nan 0.000 0.443 295 A N 1.340 124.133 122.820 -0.045 0.000 2.365 295 A HA 0.406 4.721 4.320 -0.009 0.000 0.318 295 A C -1.246 176.525 177.584 0.312 0.000 1.091 295 A CA -0.631 51.495 52.037 0.147 0.000 0.763 295 A CB 1.266 20.304 19.000 0.063 0.000 1.248 295 A HN 0.658 nan 8.150 nan 0.000 0.442 296 D N 0.735 121.340 120.400 0.341 0.000 2.312 296 D HA 0.301 4.936 4.640 -0.009 0.000 0.252 296 D C 0.913 177.213 176.300 -0.000 0.000 1.150 296 D CA -0.069 54.008 54.000 0.128 0.000 0.870 296 D CB 0.970 41.750 40.800 -0.034 0.000 1.153 296 D HN 0.448 nan 8.370 nan 0.000 0.457 297 R N 1.118 121.591 120.500 -0.044 0.000 2.275 297 R HA 0.060 4.395 4.340 -0.009 0.000 0.199 297 R C 0.993 177.207 176.300 -0.143 0.000 0.989 297 R CA 0.018 56.075 56.100 -0.072 0.000 1.016 297 R CB 0.031 30.304 30.300 -0.045 0.000 0.918 297 R HN 0.395 nan 8.270 nan 0.000 0.473 298 S N -0.327 115.242 115.700 -0.218 0.000 2.693 298 S HA 0.320 4.785 4.470 -0.009 0.000 0.276 298 S C -1.934 172.398 174.600 -0.446 0.000 1.192 298 S CA -1.442 56.535 58.200 -0.371 0.000 0.994 298 S CB 1.581 64.556 63.200 -0.376 0.000 1.012 298 S HN -0.233 nan 8.310 nan 0.000 0.550 299 P HA 0.086 nan 4.420 nan 0.000 0.225 299 P C 0.179 177.313 177.300 -0.278 0.000 1.148 299 P CA 0.622 63.401 63.100 -0.535 0.000 0.779 299 P CB -0.567 30.770 31.700 -0.605 0.000 0.780 300 C N -1.117 118.055 119.300 -0.214 0.000 2.485 300 C HA -0.057 4.398 4.460 -0.009 0.000 0.285 300 C C 2.026 177.147 174.990 0.219 0.000 0.796 300 C CA -0.433 58.601 59.018 0.028 0.000 2.852 300 C CB -2.193 25.522 27.740 -0.041 0.000 1.629 300 C HN 0.523 nan 8.230 nan 0.000 0.379 301 G N 4.393 113.419 108.800 0.376 0.000 2.476 301 G HA2 -0.208 3.747 3.960 -0.009 0.000 0.218 301 G HA3 -0.208 3.747 3.960 -0.009 0.000 0.218 301 G C 1.548 176.468 174.900 0.034 0.000 1.164 301 G CA 2.175 47.402 45.100 0.212 0.000 0.768 301 G HN 1.777 nan 8.290 nan 0.000 0.560 302 T N -1.224 113.319 114.554 -0.020 0.000 2.867 302 T HA 0.100 4.445 4.350 -0.009 0.000 0.268 302 T C 2.434 176.919 174.700 -0.359 0.000 1.057 302 T CA 1.520 63.557 62.100 -0.104 0.000 1.136 302 T CB -0.511 68.347 68.868 -0.016 0.000 0.874 302 T HN 0.268 nan 8.240 nan 0.000 0.466 303 G N 1.157 109.653 108.800 -0.505 0.000 2.408 303 G HA2 -0.143 3.812 3.960 -0.009 0.000 0.217 303 G HA3 -0.143 3.812 3.960 -0.009 0.000 0.217 303 G C 1.680 176.357 174.900 -0.372 0.000 1.150 303 G CA 1.244 45.740 45.100 -1.007 0.000 0.776 303 G HN 0.516 nan 8.290 nan 0.000 0.542 304 T N 0.520 115.055 114.554 -0.032 0.000 2.746 304 T HA -0.133 4.211 4.350 -0.009 0.000 0.267 304 T C 2.660 177.291 174.700 -0.114 0.000 1.039 304 T CA 1.626 63.798 62.100 0.119 0.000 1.142 304 T CB -0.269 68.796 68.868 0.328 0.000 0.866 304 T HN 0.331 nan 8.240 nan 0.000 0.444 305 S N 0.702 116.313 115.700 -0.149 0.000 2.368 305 S HA -0.021 4.444 4.470 -0.009 0.000 0.224 305 S C 2.400 176.858 174.600 -0.237 0.000 1.029 305 S CA 1.215 59.311 58.200 -0.174 0.000 0.988 305 S CB -0.507 62.609 63.200 -0.140 0.000 0.838 305 S HN 0.504 nan 8.310 nan 0.000 0.462 306 A N 1.630 124.251 122.820 -0.331 0.000 1.883 306 A HA -0.141 4.173 4.320 -0.009 0.000 0.217 306 A C 2.049 179.472 177.584 -0.269 0.000 1.186 306 A CA 2.262 54.108 52.037 -0.318 0.000 0.624 306 A CB -0.856 17.846 19.000 -0.497 0.000 0.822 306 A HN 0.544 nan 8.150 nan 0.000 0.444 307 K N -0.335 119.867 120.400 -0.331 0.000 2.063 307 K HA -0.084 4.231 4.320 -0.009 0.000 0.208 307 K C 1.922 178.238 176.600 -0.474 0.000 1.048 307 K CA 2.143 58.198 56.287 -0.387 0.000 0.928 307 K CB -0.473 31.753 32.500 -0.457 0.000 0.713 307 K HN 0.501 nan 8.250 nan 0.000 0.442 308 M N -0.469 118.834 119.600 -0.495 0.000 2.117 308 M HA -0.111 4.364 4.480 -0.009 0.000 0.262 308 M C 2.135 178.308 176.300 -0.212 0.000 1.065 308 M CA 1.837 56.863 55.300 -0.456 0.000 1.114 308 M CB -0.273 32.109 32.600 -0.363 0.000 1.361 308 M HN 0.295 nan 8.290 nan 0.000 0.408 309 A N -0.675 122.057 122.820 -0.148 0.000 2.015 309 A HA -0.103 4.211 4.320 -0.009 0.000 0.219 309 A C 2.112 179.714 177.584 0.030 0.000 1.163 309 A CA 1.852 53.877 52.037 -0.019 0.000 0.646 309 A CB -0.898 18.101 19.000 -0.003 0.000 0.806 309 A HN 0.444 nan 8.150 nan 0.000 0.448 310 T N 0.555 115.076 114.554 -0.055 0.000 2.668 310 T HA -0.071 4.274 4.350 -0.009 0.000 0.262 310 T C 1.834 176.502 174.700 -0.053 0.000 1.045 310 T CA 1.456 63.532 62.100 -0.041 0.000 1.152 310 T CB -0.415 68.400 68.868 -0.088 0.000 0.864 310 T HN 0.377 nan 8.240 nan 0.000 0.419 311 L N -0.256 120.890 121.223 -0.130 0.000 2.043 311 L HA -0.155 4.179 4.340 -0.009 0.000 0.212 311 L C 2.403 179.241 176.870 -0.054 0.000 1.075 311 L CA 1.701 56.473 54.840 -0.114 0.000 0.752 311 L CB -0.626 41.313 42.059 -0.200 0.000 0.891 311 L HN 0.300 nan 8.230 nan 0.000 0.432 312 Y N 0.529 120.756 120.300 -0.122 0.000 2.224 312 Y HA -0.246 4.299 4.550 -0.009 0.000 0.289 312 Y C 2.476 178.353 175.900 -0.038 0.000 1.146 312 Y CA 1.308 59.363 58.100 -0.074 0.000 1.182 312 Y CB -0.114 38.302 38.460 -0.073 0.000 0.983 312 Y HN 0.111 nan 8.280 nan 0.000 0.524 313 A N 0.233 123.098 122.820 0.076 0.000 2.015 313 A HA -0.118 4.197 4.320 -0.009 0.000 0.219 313 A C 1.929 179.478 177.584 -0.059 0.000 1.163 313 A CA 1.498 53.554 52.037 0.032 0.000 0.646 313 A CB -0.358 18.694 19.000 0.086 0.000 0.806 313 A HN 0.492 nan 8.150 nan 0.000 0.448 314 K N -1.131 119.229 120.400 -0.067 0.000 2.404 314 K HA 0.254 4.569 4.320 -0.009 0.000 0.194 314 K C 0.860 177.403 176.600 -0.094 0.000 1.023 314 K CA 0.516 56.767 56.287 -0.060 0.000 1.094 314 K CB 0.126 32.607 32.500 -0.031 0.000 0.841 314 K HN 0.646 nan 8.250 nan 0.000 0.523 315 G N 2.372 111.068 108.800 -0.174 0.000 2.137 315 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.237 315 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.237 315 G C 0.334 175.154 174.900 -0.134 0.000 1.002 315 G CA 0.080 45.064 45.100 -0.193 0.000 0.702 315 G HN 0.461 nan 8.290 nan 0.000 0.515 316 Q N -1.442 118.292 119.800 -0.109 0.000 2.159 316 Q HA 0.583 4.918 4.340 -0.009 0.000 0.217 316 Q C 0.029 176.013 176.000 -0.026 0.000 0.818 316 Q CA -0.066 55.711 55.803 -0.044 0.000 1.008 316 Q CB 1.248 29.981 28.738 -0.009 0.000 1.148 316 Q HN 0.488 nan 8.270 nan 0.000 0.491 317 L N 0.371 121.566 121.223 -0.047 0.000 2.513 317 L HA 0.455 4.789 4.340 -0.009 0.000 0.261 317 L C -1.678 175.228 176.870 0.060 0.000 0.945 317 L CA -0.497 54.356 54.840 0.023 0.000 0.848 317 L CB 1.827 43.900 42.059 0.023 0.000 1.334 317 L HN -0.079 nan 8.230 nan 0.000 0.407 318 R N 4.703 125.257 120.500 0.090 0.000 2.604 318 R HA 0.633 4.967 4.340 -0.009 0.000 0.287 318 R C -0.457 175.947 176.300 0.173 0.000 0.970 318 R CA -1.040 55.133 56.100 0.121 0.000 0.946 318 R CB 1.400 31.734 30.300 0.057 0.000 1.127 318 R HN 0.570 nan 8.270 nan 0.000 0.473 319 I N 2.204 122.909 120.570 0.225 0.000 2.989 319 I HA -0.242 3.923 4.170 -0.009 0.000 0.311 319 I C 1.429 177.584 176.117 0.062 0.000 1.221 319 I CA 1.738 63.104 61.300 0.111 0.000 1.449 319 I CB 0.049 38.113 38.000 0.107 0.000 1.325 319 I HN 1.106 nan 8.210 nan 0.000 0.557 320 G N 4.443 113.263 108.800 0.033 0.000 2.284 320 G HA2 -0.325 3.629 3.960 -0.009 0.000 0.261 320 G HA3 -0.325 3.629 3.960 -0.009 0.000 0.261 320 G C 0.355 175.273 174.900 0.030 0.000 0.997 320 G CA 0.341 45.456 45.100 0.024 0.000 0.621 320 G HN 0.735 nan 8.290 nan 0.000 0.534 321 E N 1.567 121.795 120.200 0.047 0.000 2.366 321 E HA 0.362 4.707 4.350 -0.009 0.000 0.266 321 E C 0.031 176.671 176.600 0.066 0.000 1.015 321 E CA 0.144 56.577 56.400 0.054 0.000 0.906 321 E CB 0.195 29.936 29.700 0.069 0.000 0.979 321 E HN 0.144 nan 8.360 nan 0.000 0.443 322 T N 5.842 120.428 114.554 0.053 0.000 2.750 322 T HA 0.043 4.388 4.350 -0.009 0.000 0.286 322 T C -0.452 174.310 174.700 0.103 0.000 0.911 322 T CA -0.032 62.104 62.100 0.060 0.000 1.130 322 T CB -0.318 68.561 68.868 0.019 0.000 0.873 322 T HN 0.273 nan 8.240 nan 0.000 0.536 323 F N 5.495 125.427 119.950 -0.029 0.000 2.420 323 F HA 0.487 5.008 4.527 -0.009 0.000 0.352 323 F C -0.340 175.451 175.800 -0.015 0.000 1.108 323 F CA -0.902 57.071 58.000 -0.045 0.000 1.162 323 F CB 0.639 39.593 39.000 -0.077 0.000 1.118 323 F HN 0.213 nan 8.300 nan 0.000 0.510 324 V N 7.350 126.929 119.914 -0.557 0.000 2.417 324 V HA 0.262 4.376 4.120 -0.009 0.000 0.291 324 V C -1.021 174.785 176.094 -0.479 0.000 1.024 324 V CA -0.844 61.242 62.300 -0.357 0.000 0.861 324 V CB 1.077 32.784 31.823 -0.193 0.000 0.985 324 V HN 0.560 nan 8.190 nan 0.000 0.436 325 Y N 3.218 123.338 120.300 -0.299 0.000 2.364 325 Y HA 0.495 5.040 4.550 -0.008 0.000 0.340 325 Y C 0.166 176.011 175.900 -0.091 0.000 0.975 325 Y CA -1.573 56.419 58.100 -0.180 0.000 1.089 325 Y CB 1.898 40.368 38.460 0.017 0.000 1.192 325 Y HN 0.754 nan 8.280 nan 0.000 0.454 326 E N 2.332 122.549 120.200 0.029 0.000 2.204 326 E HA 0.482 4.827 4.350 -0.009 0.000 0.276 326 E C -0.536 175.950 176.600 -0.189 0.000 0.974 326 E CA -0.451 55.905 56.400 -0.073 0.000 0.815 326 E CB 1.190 30.873 29.700 -0.029 0.000 1.119 326 E HN 0.667 nan 8.360 nan 0.000 0.393 327 S N 3.444 119.030 115.700 -0.190 0.000 2.713 327 S HA 0.180 4.645 4.470 -0.009 0.000 0.277 327 S C 1.175 175.698 174.600 -0.129 0.000 1.168 327 S CA -0.680 57.395 58.200 -0.207 0.000 0.994 327 S CB 0.826 63.890 63.200 -0.228 0.000 1.054 327 S HN 0.755 nan 8.310 nan 0.000 0.555 328 I N -0.181 120.322 120.570 -0.111 0.000 2.916 328 I HA 0.064 4.228 4.170 -0.009 0.000 0.267 328 I C 0.899 176.981 176.117 -0.058 0.000 1.263 328 I CA 0.990 62.248 61.300 -0.070 0.000 1.471 328 I CB -0.157 37.810 38.000 -0.056 0.000 1.089 328 I HN 0.611 nan 8.210 nan 0.000 0.468 329 L N -0.279 120.903 121.223 -0.068 0.000 2.693 329 L HA 0.390 4.725 4.340 -0.009 0.000 0.235 329 L C 1.366 178.207 176.870 -0.048 0.000 1.127 329 L CA 0.617 55.425 54.840 -0.054 0.000 0.914 329 L CB 0.387 42.413 42.059 -0.056 0.000 1.193 329 L HN 0.378 nan 8.230 nan 0.000 0.502 330 G N -0.542 108.226 108.800 -0.054 0.000 2.184 330 G HA2 -0.226 3.729 3.960 -0.009 0.000 0.206 330 G HA3 -0.226 3.729 3.960 -0.009 0.000 0.206 330 G C 0.247 175.127 174.900 -0.034 0.000 0.995 330 G CA 0.020 45.097 45.100 -0.039 0.000 0.651 330 G HN 0.233 nan 8.290 nan 0.000 0.511 331 S N 0.310 115.979 115.700 -0.052 0.000 2.592 331 S HA 0.688 5.152 4.470 -0.009 0.000 0.271 331 S C 0.441 175.008 174.600 -0.056 0.000 1.326 331 S CA -0.189 57.990 58.200 -0.035 0.000 1.024 331 S CB 1.047 64.214 63.200 -0.054 0.000 0.921 331 S HN 0.453 nan 8.310 nan 0.000 0.527 332 L N 2.860 124.093 121.223 0.017 0.000 2.317 332 L HA 0.587 4.922 4.340 -0.009 0.000 0.281 332 L C -0.837 176.171 176.870 0.229 0.000 1.024 332 L CA -0.671 54.203 54.840 0.056 0.000 0.810 332 L CB 0.623 42.718 42.059 0.060 0.000 1.240 332 L HN 0.439 nan 8.230 nan 0.000 0.427 333 F N 0.916 120.885 119.950 0.032 0.000 2.523 333 F HA 0.589 5.112 4.527 -0.007 0.000 0.329 333 F C -0.115 175.703 175.800 0.029 0.000 1.061 333 F CA -1.304 56.719 58.000 0.038 0.000 0.967 333 F CB 2.117 41.158 39.000 0.068 0.000 1.218 333 F HN 0.388 nan 8.300 nan 0.000 0.480 334 Q N 0.202 120.112 119.800 0.184 0.000 2.323 334 Q HA 0.664 4.999 4.340 -0.009 0.000 0.271 334 Q C -0.342 175.705 176.000 0.078 0.000 1.048 334 Q CA -0.626 55.231 55.803 0.089 0.000 0.792 334 Q CB 2.427 31.185 28.738 0.033 0.000 1.280 334 Q HN 0.804 nan 8.270 nan 0.000 0.441 335 G N 1.392 110.268 108.800 0.127 0.000 2.498 335 G HA2 0.852 4.807 3.960 -0.009 0.000 0.312 335 G HA3 0.852 4.807 3.960 -0.009 0.000 0.312 335 G C -1.174 173.775 174.900 0.082 0.000 1.230 335 G CA -0.896 44.262 45.100 0.096 0.000 0.968 335 G HN 0.508 nan 8.290 nan 0.000 0.481 336 R N 0.065 120.582 120.500 0.028 0.000 2.725 336 R HA 0.585 4.919 4.340 -0.009 0.000 0.277 336 R C -1.282 175.001 176.300 -0.028 0.000 0.987 336 R CA -0.931 55.178 56.100 0.015 0.000 0.901 336 R CB 2.153 32.461 30.300 0.013 0.000 1.207 336 R HN 0.268 nan 8.270 nan 0.000 0.463 337 V N 4.048 123.932 119.914 -0.050 0.000 2.446 337 V HA 0.019 4.134 4.120 -0.009 0.000 0.276 337 V C 1.399 177.441 176.094 -0.086 0.000 1.030 337 V CA 0.119 62.349 62.300 -0.117 0.000 1.033 337 V CB 0.473 32.174 31.823 -0.203 0.000 0.993 337 V HN 0.708 nan 8.190 nan 0.000 0.477 338 L N 4.102 125.272 121.223 -0.087 0.000 2.249 338 L HA 0.423 4.757 4.340 -0.009 0.000 0.207 338 L C 1.103 177.935 176.870 -0.063 0.000 1.090 338 L CA 0.955 55.761 54.840 -0.056 0.000 0.802 338 L CB -0.082 41.953 42.059 -0.040 0.000 0.947 338 L HN 0.813 nan 8.230 nan 0.000 0.453 339 G N -0.020 108.716 108.800 -0.107 0.000 2.523 339 G HA2 0.450 4.405 3.960 -0.009 0.000 0.291 339 G HA3 0.450 4.405 3.960 -0.009 0.000 0.291 339 G C -1.920 172.889 174.900 -0.152 0.000 1.450 339 G CA -0.494 44.550 45.100 -0.094 0.000 0.790 339 G HN 0.089 nan 8.290 nan 0.000 0.496 340 E N -0.888 119.250 120.200 -0.103 0.000 2.392 340 E HA 0.804 5.148 4.350 -0.009 0.000 0.269 340 E C -1.079 175.508 176.600 -0.022 0.000 0.924 340 E CA -0.923 55.418 56.400 -0.097 0.000 0.784 340 E CB 3.096 32.764 29.700 -0.054 0.000 1.292 340 E HN 0.399 nan 8.360 nan 0.000 0.447 341 E N 0.437 120.634 120.200 -0.004 0.000 2.413 341 E HA 0.375 4.719 4.350 -0.009 0.000 0.277 341 E C -1.165 175.441 176.600 0.009 0.000 0.958 341 E CA -1.021 55.382 56.400 0.005 0.000 0.779 341 E CB 1.721 31.422 29.700 0.001 0.000 1.278 341 E HN 0.372 nan 8.360 nan 0.000 0.456 342 R N 1.733 122.235 120.500 0.004 0.000 2.664 342 R HA 0.555 4.890 4.340 -0.009 0.000 0.286 342 R C -0.476 175.812 176.300 -0.019 0.000 0.967 342 R CA -0.718 55.378 56.100 -0.007 0.000 0.933 342 R CB 1.067 31.366 30.300 -0.002 0.000 1.146 342 R HN 0.477 nan 8.270 nan 0.000 0.468 343 I N 4.355 124.904 120.570 -0.036 0.000 2.464 343 I HA 0.207 4.372 4.170 -0.009 0.000 0.277 343 I C -2.014 174.080 176.117 -0.039 0.000 1.040 343 I CA -2.061 59.215 61.300 -0.040 0.000 1.153 343 I CB 1.943 39.906 38.000 -0.062 0.000 1.274 343 I HN 0.152 nan 8.210 nan 0.000 0.469 344 P HA 0.057 nan 4.420 nan 0.000 0.263 344 P C 0.918 178.203 177.300 -0.025 0.000 1.195 344 P CA 0.745 63.832 63.100 -0.023 0.000 0.762 344 P CB 0.982 32.673 31.700 -0.015 0.000 0.799 345 G N 1.892 110.676 108.800 -0.027 0.000 2.199 345 G HA2 -0.210 3.745 3.960 -0.009 0.000 0.254 345 G HA3 -0.210 3.745 3.960 -0.009 0.000 0.254 345 G C -0.077 174.804 174.900 -0.031 0.000 0.982 345 G CA 0.039 45.124 45.100 -0.024 0.000 0.632 345 G HN 0.549 nan 8.290 nan 0.000 0.529 346 V N 1.385 121.272 119.914 -0.044 0.000 2.370 346 V HA 0.640 4.755 4.120 -0.009 0.000 0.279 346 V C 0.264 176.307 176.094 -0.084 0.000 1.029 346 V CA -0.431 61.834 62.300 -0.059 0.000 0.870 346 V CB 1.539 33.319 31.823 -0.072 0.000 0.984 346 V HN 0.309 nan 8.190 nan 0.000 0.451 347 K N 3.174 123.526 120.400 -0.079 0.000 2.375 347 K HA 0.820 5.134 4.320 -0.009 0.000 0.249 347 K C -0.900 175.634 176.600 -0.109 0.000 0.942 347 K CA -0.720 55.512 56.287 -0.093 0.000 0.806 347 K CB 2.811 35.270 32.500 -0.069 0.000 1.227 347 K HN 0.568 nan 8.250 nan 0.000 0.430 348 V N -1.078 118.747 119.914 -0.149 0.000 3.166 348 V HA 0.440 4.554 4.120 -0.009 0.000 0.317 348 V C -2.265 173.672 176.094 -0.263 0.000 1.136 348 V CA -2.112 60.054 62.300 -0.223 0.000 1.035 348 V CB 1.403 33.093 31.823 -0.222 0.000 1.110 348 V HN 0.505 nan 8.190 nan 0.000 0.450 349 P HA -0.136 nan 4.420 nan 0.000 0.215 349 P C 1.676 178.867 177.300 -0.183 0.000 1.157 349 P CA 1.514 64.439 63.100 -0.292 0.000 0.874 349 P CB 0.132 31.601 31.700 -0.384 0.000 0.790 350 V N -0.939 118.874 119.914 -0.169 0.000 3.078 350 V HA -0.085 4.029 4.120 -0.009 0.000 0.265 350 V C 0.309 176.370 176.094 -0.054 0.000 1.122 350 V CA 1.397 63.653 62.300 -0.074 0.000 1.141 350 V CB -1.333 30.477 31.823 -0.021 0.000 0.735 350 V HN 0.131 nan 8.190 nan 0.000 0.498 351 T N 2.996 117.506 114.554 -0.072 0.000 2.784 351 T HA 0.119 4.463 4.350 -0.009 0.000 0.291 351 T C 0.153 174.825 174.700 -0.047 0.000 0.942 351 T CA 0.143 62.210 62.100 -0.056 0.000 1.161 351 T CB 0.197 69.022 68.868 -0.072 0.000 0.885 351 T HN 0.458 nan 8.240 nan 0.000 0.534 352 K N 2.587 122.967 120.400 -0.032 0.000 2.138 352 K HA 0.124 4.439 4.320 -0.009 0.000 0.251 352 K C 0.779 177.363 176.600 -0.026 0.000 1.015 352 K CA -0.885 55.386 56.287 -0.027 0.000 0.917 352 K CB 0.540 33.028 32.500 -0.020 0.000 1.021 352 K HN 0.453 nan 8.250 nan 0.000 0.485 353 D N 1.065 121.452 120.400 -0.023 0.000 2.117 353 D HA -0.164 4.471 4.640 -0.009 0.000 0.197 353 D C 1.521 177.811 176.300 -0.018 0.000 0.987 353 D CA 1.456 55.444 54.000 -0.021 0.000 0.829 353 D CB -0.201 40.588 40.800 -0.017 0.000 0.961 353 D HN 0.626 nan 8.370 nan 0.000 0.460 354 A N 0.567 123.378 122.820 -0.015 0.000 2.169 354 A HA -0.025 4.290 4.320 -0.009 0.000 0.212 354 A C 0.907 178.483 177.584 -0.013 0.000 1.153 354 A CA 0.125 52.154 52.037 -0.013 0.000 0.756 354 A CB -0.186 18.807 19.000 -0.011 0.000 0.813 354 A HN 0.114 nan 8.150 nan 0.000 0.471 355 E N 0.005 120.195 120.200 -0.016 0.000 2.360 355 E HA 0.135 4.479 4.350 -0.009 0.000 0.269 355 E C 0.252 176.840 176.600 -0.019 0.000 1.022 355 E CA -0.165 56.226 56.400 -0.016 0.000 0.887 355 E CB 0.691 30.381 29.700 -0.017 0.000 0.990 355 E HN 0.435 nan 8.360 nan 0.000 0.426 356 E N 1.059 121.249 120.200 -0.017 0.000 2.230 356 E HA 0.045 4.390 4.350 -0.009 0.000 0.192 356 E C 0.454 177.039 176.600 -0.025 0.000 0.987 356 E CA 0.202 56.591 56.400 -0.018 0.000 0.841 356 E CB 0.465 30.157 29.700 -0.013 0.000 0.783 356 E HN 0.546 nan 8.360 nan 0.000 0.481 357 G N 0.470 109.252 108.800 -0.029 0.000 2.692 357 G HA2 0.403 4.358 3.960 -0.009 0.000 0.291 357 G HA3 0.403 4.358 3.960 -0.009 0.000 0.291 357 G C -0.496 174.372 174.900 -0.053 0.000 1.423 357 G CA -0.965 44.109 45.100 -0.044 0.000 0.843 357 G HN 0.045 nan 8.290 nan 0.000 0.486 358 M N 0.207 119.755 119.600 -0.087 0.000 2.246 358 M HA 0.440 4.915 4.480 -0.009 0.000 0.327 358 M C -0.244 176.013 176.300 -0.073 0.000 1.090 358 M CA -0.081 55.153 55.300 -0.109 0.000 1.087 358 M CB 0.498 32.965 32.600 -0.223 0.000 1.587 358 M HN 0.374 nan 8.290 nan 0.000 0.444 359 L N 3.941 125.148 121.223 -0.027 0.000 2.326 359 L HA 0.679 5.014 4.340 -0.009 0.000 0.278 359 L C -1.104 175.800 176.870 0.056 0.000 1.092 359 L CA -0.172 54.687 54.840 0.032 0.000 0.810 359 L CB 1.420 43.532 42.059 0.088 0.000 1.153 359 L HN 0.687 nan 8.230 nan 0.000 0.439 360 V N 5.196 125.148 119.914 0.063 0.000 2.841 360 V HA 0.661 4.776 4.120 -0.009 0.000 0.310 360 V C -0.753 175.367 176.094 0.043 0.000 1.090 360 V CA -0.302 62.067 62.300 0.115 0.000 0.930 360 V CB 2.434 34.304 31.823 0.078 0.000 1.014 360 V HN 0.768 nan 8.190 nan 0.000 0.425 361 V N 1.316 121.243 119.914 0.021 0.000 2.914 361 V HA 0.806 4.921 4.120 -0.009 0.000 0.314 361 V C -0.361 175.692 176.094 -0.069 0.000 1.084 361 V CA -0.384 61.845 62.300 -0.119 0.000 0.963 361 V CB 2.310 33.951 31.823 -0.303 0.000 1.025 361 V HN 0.798 nan 8.190 nan 0.000 0.432 362 T N 3.606 118.101 114.554 -0.099 0.000 2.756 362 T HA 0.807 5.152 4.350 -0.009 0.000 0.290 362 T C 0.051 174.697 174.700 -0.090 0.000 0.985 362 T CA 0.251 62.312 62.100 -0.064 0.000 0.955 362 T CB 0.977 69.820 68.868 -0.041 0.000 0.930 362 T HN 1.378 nan 8.240 nan 0.000 0.451 363 A N 2.946 125.720 122.820 -0.076 0.000 2.330 363 A HA 0.786 5.101 4.320 -0.009 0.000 0.329 363 A C -0.362 177.189 177.584 -0.054 0.000 1.135 363 A CA -0.796 51.195 52.037 -0.076 0.000 0.817 363 A CB 1.201 20.146 19.000 -0.090 0.000 1.269 363 A HN 0.746 nan 8.150 nan 0.000 0.469 364 E N 0.822 120.994 120.200 -0.045 0.000 2.210 364 E HA 0.549 4.893 4.350 -0.009 0.000 0.266 364 E C -1.895 174.678 176.600 -0.046 0.000 0.883 364 E CA -0.521 55.855 56.400 -0.040 0.000 0.761 364 E CB 1.212 30.899 29.700 -0.023 0.000 1.156 364 E HN 0.438 nan 8.360 nan 0.000 0.412 365 I N 2.994 123.516 120.570 -0.080 0.000 2.406 365 I HA 0.231 4.396 4.170 -0.009 0.000 0.290 365 I C -0.215 175.780 176.117 -0.202 0.000 0.999 365 I CA -0.156 61.067 61.300 -0.129 0.000 1.124 365 I CB 2.082 39.987 38.000 -0.159 0.000 1.289 365 I HN 0.380 nan 8.210 nan 0.000 0.441 366 T N 4.516 118.949 114.554 -0.202 0.000 2.855 366 T HA 0.882 5.226 4.350 -0.009 0.000 0.281 366 T C -0.009 174.467 174.700 -0.373 0.000 1.007 366 T CA -0.684 61.295 62.100 -0.202 0.000 1.009 366 T CB 1.628 70.459 68.868 -0.061 0.000 0.983 366 T HN 0.825 nan 8.240 nan 0.000 0.455 367 G N 1.315 109.912 108.800 -0.339 0.000 2.559 367 G HA2 0.585 4.540 3.960 -0.009 0.000 0.291 367 G HA3 0.585 4.540 3.960 -0.009 0.000 0.291 367 G C -1.917 172.917 174.900 -0.110 0.000 1.424 367 G CA -0.766 44.178 45.100 -0.260 0.000 0.786 367 G HN 0.635 nan 8.290 nan 0.000 0.485 368 K N -0.002 120.382 120.400 -0.027 0.000 2.274 368 K HA 0.706 5.021 4.320 -0.009 0.000 0.262 368 K C -0.256 176.111 176.600 -0.388 0.000 0.961 368 K CA -0.557 55.575 56.287 -0.258 0.000 0.833 368 K CB 1.601 33.890 32.500 -0.351 0.000 1.102 368 K HN 0.754 nan 8.250 nan 0.000 0.436 369 A N 4.212 126.778 122.820 -0.425 0.000 2.305 369 A HA 0.662 4.976 4.320 -0.009 0.000 0.322 369 A C -1.204 176.021 177.584 -0.598 0.000 1.187 369 A CA -0.596 51.213 52.037 -0.380 0.000 0.825 369 A CB 0.245 19.152 19.000 -0.155 0.000 1.164 369 A HN 0.624 nan 8.150 nan 0.000 0.498 370 F N 1.035 120.808 119.950 -0.296 0.000 2.492 370 F HA 0.512 5.033 4.527 -0.009 0.000 0.327 370 F C 0.302 176.002 175.800 -0.167 0.000 1.079 370 F CA -0.564 57.287 58.000 -0.249 0.000 0.967 370 F CB 1.638 40.426 39.000 -0.354 0.000 1.169 370 F HN 0.340 nan 8.300 nan 0.000 0.472 371 I N 4.191 124.797 120.570 0.059 0.000 2.352 371 I HA 0.149 4.314 4.170 -0.009 0.000 0.290 371 I C 0.938 177.043 176.117 -0.020 0.000 1.036 371 I CA -0.005 61.269 61.300 -0.043 0.000 1.336 371 I CB 1.201 39.108 38.000 -0.154 0.000 1.407 371 I HN 0.787 nan 8.210 nan 0.000 0.497 372 M N 4.347 123.945 119.600 -0.003 0.000 2.308 372 M HA 0.507 4.982 4.480 -0.009 0.000 0.269 372 M C 0.330 176.593 176.300 -0.061 0.000 1.040 372 M CA -0.063 55.251 55.300 0.024 0.000 1.024 372 M CB 0.923 33.609 32.600 0.143 0.000 1.465 372 M HN 0.485 nan 8.290 nan 0.000 0.517 373 G N 0.699 109.393 108.800 -0.176 0.000 2.547 373 G HA2 0.533 4.487 3.960 -0.009 0.000 0.291 373 G HA3 0.533 4.487 3.960 -0.009 0.000 0.291 373 G C -2.239 172.465 174.900 -0.326 0.000 1.471 373 G CA -0.635 44.358 45.100 -0.179 0.000 0.798 373 G HN 0.107 nan 8.290 nan 0.000 0.504 374 F N 1.221 121.205 119.950 0.056 0.000 2.403 374 F HA 0.562 5.085 4.527 -0.008 0.000 0.355 374 F C 0.130 175.961 175.800 0.051 0.000 1.119 374 F CA -1.248 56.784 58.000 0.053 0.000 1.007 374 F CB 2.296 41.323 39.000 0.045 0.000 1.194 374 F HN 0.379 nan 8.300 nan 0.000 0.443 375 N N 1.022 119.860 118.700 0.231 0.000 2.269 375 N HA 0.444 5.179 4.740 -0.009 0.000 0.304 375 N C -1.187 174.415 175.510 0.152 0.000 1.072 375 N CA -0.363 52.780 53.050 0.154 0.000 0.802 375 N CB 1.694 40.248 38.487 0.112 0.000 1.348 375 N HN 0.353 nan 8.380 nan 0.000 0.484 376 T N 3.594 118.222 114.554 0.122 0.000 2.853 376 T HA 0.349 4.693 4.350 -0.009 0.000 0.317 376 T C 0.262 175.033 174.700 0.117 0.000 1.059 376 T CA -0.353 61.821 62.100 0.123 0.000 0.954 376 T CB -0.080 68.841 68.868 0.087 0.000 0.994 376 T HN 0.378 nan 8.240 nan 0.000 0.479 377 M N 4.091 123.796 119.600 0.176 0.000 2.211 377 M HA 0.453 4.928 4.480 -0.009 0.000 0.356 377 M C -0.512 175.865 176.300 0.128 0.000 1.216 377 M CA -0.324 55.051 55.300 0.125 0.000 1.134 377 M CB 0.704 33.441 32.600 0.228 0.000 1.564 377 M HN 0.313 nan 8.290 nan 0.000 0.463 378 L N 2.795 123.951 121.223 -0.111 0.000 2.346 378 L HA 0.620 4.955 4.340 -0.009 0.000 0.274 378 L C -1.321 175.289 176.870 -0.434 0.000 1.007 378 L CA -0.618 54.178 54.840 -0.074 0.000 0.818 378 L CB 1.435 43.484 42.059 -0.016 0.000 1.284 378 L HN 0.575 nan 8.230 nan 0.000 0.424 379 F N 0.600 120.634 119.950 0.141 0.000 2.513 379 F HA 0.245 4.766 4.527 -0.009 0.000 0.358 379 F C 0.232 176.088 175.800 0.093 0.000 1.118 379 F CA -0.722 57.359 58.000 0.136 0.000 1.037 379 F CB 1.187 40.300 39.000 0.188 0.000 1.276 379 F HN 0.420 nan 8.300 nan 0.000 0.446 380 D N 5.043 125.534 120.400 0.152 0.000 2.383 380 D HA 0.128 4.763 4.640 -0.009 0.000 0.252 380 D C -1.640 174.734 176.300 0.123 0.000 1.166 380 D CA -1.787 52.280 54.000 0.111 0.000 0.879 380 D CB 1.911 42.750 40.800 0.065 0.000 1.164 380 D HN 0.176 nan 8.370 nan 0.000 0.462 381 P HA -0.078 nan 4.420 nan 0.000 0.220 381 P C 0.969 178.293 177.300 0.040 0.000 1.148 381 P CA 1.133 64.274 63.100 0.068 0.000 0.803 381 P CB 0.009 31.733 31.700 0.041 0.000 0.782 382 T N -4.906 109.667 114.554 0.033 0.000 3.188 382 T HA 0.051 4.396 4.350 -0.009 0.000 0.250 382 T C 0.466 175.168 174.700 0.004 0.000 1.077 382 T CA -0.346 61.760 62.100 0.009 0.000 0.967 382 T CB -0.727 68.145 68.868 0.006 0.000 1.006 382 T HN -0.086 nan 8.240 nan 0.000 0.552 383 D N 3.155 123.574 120.400 0.032 0.000 2.325 383 D HA 0.159 4.794 4.640 -0.009 0.000 0.251 383 D C -1.229 175.060 176.300 -0.018 0.000 1.196 383 D CA -2.386 51.636 54.000 0.037 0.000 0.866 383 D CB 1.888 42.745 40.800 0.095 0.000 1.101 383 D HN 0.073 nan 8.370 nan 0.000 0.476 384 P HA -0.056 nan 4.420 nan 0.000 0.226 384 P C 0.352 177.352 177.300 -0.499 0.000 1.153 384 P CA 0.567 63.445 63.100 -0.370 0.000 0.777 384 P CB -0.006 31.369 31.700 -0.542 0.000 0.794 385 F N 0.550 120.573 119.950 0.122 0.000 2.772 385 F HA 0.269 4.791 4.527 -0.008 0.000 0.302 385 F C 1.899 177.819 175.800 0.200 0.000 1.136 385 F CA -0.707 57.408 58.000 0.191 0.000 1.322 385 F CB -0.274 38.894 39.000 0.281 0.000 0.967 385 F HN -0.116 nan 8.300 nan 0.000 0.513 386 K N -0.314 120.260 120.400 0.290 0.000 2.281 386 K HA -0.155 4.160 4.320 -0.009 0.000 0.203 386 K C 0.363 177.240 176.600 0.461 0.000 1.046 386 K CA 1.926 58.456 56.287 0.405 0.000 0.938 386 K CB -0.410 32.300 32.500 0.349 0.000 0.737 386 K HN 0.362 nan 8.250 nan 0.000 0.458 387 N N 0.516 119.408 118.700 0.319 0.000 2.204 387 N HA 0.151 4.885 4.740 -0.009 0.000 0.219 387 N C -0.289 175.371 175.510 0.250 0.000 1.151 387 N CA -0.038 53.172 53.050 0.266 0.000 0.867 387 N CB 1.284 39.890 38.487 0.198 0.000 1.043 387 N HN 0.415 nan 8.380 nan 0.000 0.516 388 G N 1.526 110.510 108.800 0.308 0.000 2.860 388 G HA2 -0.213 3.741 3.960 -0.009 0.000 0.553 388 G HA3 -0.213 3.741 3.960 -0.009 0.000 0.553 388 G C -0.625 174.468 174.900 0.322 0.000 1.439 388 G CA -0.276 44.956 45.100 0.220 0.000 0.879 388 G HN 0.303 nan 8.290 nan 0.000 0.545 389 F N -2.357 117.649 119.950 0.092 0.000 2.643 389 F HA 0.900 5.421 4.527 -0.010 0.000 0.314 389 F C -0.285 175.515 175.800 0.001 0.000 1.096 389 F CA -0.591 57.446 58.000 0.061 0.000 0.953 389 F CB 1.812 40.828 39.000 0.028 0.000 1.345 389 F HN 0.952 nan 8.300 nan 0.000 0.468 390 T N 1.697 116.381 114.554 0.216 0.000 2.916 390 T HA 0.485 4.830 4.350 -0.009 0.000 0.298 390 T C -0.305 174.519 174.700 0.208 0.000 1.031 390 T CA -0.600 61.567 62.100 0.110 0.000 0.993 390 T CB 1.273 70.151 68.868 0.016 0.000 1.045 390 T HN 0.815 nan 8.240 nan 0.000 0.454 391 L N 2.325 123.658 121.223 0.183 0.000 2.607 391 L HA 0.376 4.711 4.340 -0.009 0.000 0.228 391 L C 0.948 177.861 176.870 0.072 0.000 1.123 391 L CA -0.249 54.667 54.840 0.127 0.000 0.890 391 L CB -0.075 42.057 42.059 0.122 0.000 1.103 391 L HN 0.395 nan 8.230 nan 0.000 0.468 392 K N 1.520 121.953 120.400 0.055 0.000 2.350 392 K HA 0.128 4.443 4.320 -0.009 0.000 0.279 392 K C -0.227 176.405 176.600 0.052 0.000 1.027 392 K CA 0.348 56.657 56.287 0.036 0.000 0.969 392 K CB 0.576 33.083 32.500 0.012 0.000 0.954 392 K HN -0.040 nan 8.250 nan 0.000 0.474 393 Q N 2.655 122.489 119.800 0.058 0.000 2.496 393 Q HA 0.342 4.677 4.340 -0.009 0.000 0.286 393 Q C -1.599 174.481 176.000 0.133 0.000 1.103 393 Q CA -0.933 54.919 55.803 0.082 0.000 0.813 393 Q CB 1.471 30.242 28.738 0.054 0.000 1.444 393 Q HN 0.699 nan 8.270 nan 0.000 0.443 394 Y N 0.000 120.298 120.300 -0.004 0.000 2.660 394 Y HA 0.000 4.545 4.550 -0.008 0.000 0.201 394 Y CA 0.000 58.095 58.100 -0.008 0.000 1.940 394 Y CB 0.000 38.455 38.460 -0.008 0.000 1.050 394 Y HN 0.000 nan 8.280 nan 0.000 0.758