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 3led_1_A DATA FIRST_RESID -3 DATA SEQUENCE YFQGVRPAVI AATGLYTPPD SVSNAELVEA FNTYVANFNA ANKARIEAGE DATA SEQUENCE IEPLQPSSSE FIEKASGIKS RYVVAKPGIV DPDVXRPIIP ERSNDELSIL DATA SEQUENCE AEXAVTAAEQ AIERWGKPRE RIGAVLCACS NXQRAYPAXA IEVQNALGLG DATA SEQUENCE GFAFDXNVAC SSATFGLKTA ADFVGGGSVD AVLXVNPEIC SGHLNFRDRD DATA SEQUENCE SHFIFGDVAT AAIVERADDA QGGWSILGTK LKTQFSNNIR NNAGFLNRAW DATA SEQUENCE PEGRDKADKL FVQQGRKVFK EVVPLVSEXI IEHAREIGID PHGLKRXWLH DATA SEQUENCE QANINXNEII GRKVLGRDPT RDENVIILDD YANTSSAGSI IAFHKHQDDX DATA SEQUENCE AQGDLGLICS FGAGYSAGTV FVQKR 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 -3 Y HA 0.000 nan 4.550 nan 0.000 0.201 -3 Y C 0.000 175.831 175.900 -0.116 0.000 1.272 -3 Y CA 0.000 58.128 58.100 0.047 0.000 1.940 -3 Y CB 0.000 38.477 38.460 0.029 0.000 1.050 -2 F N 1.915 121.873 119.950 0.013 0.000 2.563 -2 F HA 0.609 5.141 4.527 0.009 0.000 0.316 -2 F C 0.161 175.971 175.800 0.017 0.000 1.076 -2 F CA -1.077 56.931 58.000 0.014 0.000 0.921 -2 F CB 2.702 41.710 39.000 0.014 0.000 1.209 -2 F HN 0.728 nan 8.300 nan 0.000 0.462 -1 Q N 1.942 121.852 119.800 0.184 0.000 2.337 -1 Q HA 0.438 8.674 4.340 6.494 0.000 0.255 -1 Q C -0.198 175.887 176.000 0.143 0.000 0.997 -1 Q CA -0.456 55.424 55.803 0.128 0.000 0.925 -1 Q CB 1.018 29.803 28.738 0.080 0.000 1.212 -1 Q HN 0.895 nan 8.270 nan 0.000 0.436 0 G N 2.216 111.086 108.800 0.118 0.000 2.400 0 G HA2 0.347 8.203 3.960 6.494 0.000 0.301 0 G HA3 0.347 8.203 3.960 6.494 0.000 0.301 0 G C -0.420 174.524 174.900 0.074 0.000 1.154 0 G CA -0.530 44.623 45.100 0.088 0.000 0.852 0 G HN 0.542 nan 8.290 nan 0.000 0.511 1 V N 2.189 122.142 119.914 0.064 0.000 2.493 1 V HA 0.042 8.058 4.120 6.494 0.000 0.292 1 V C 0.826 176.956 176.094 0.059 0.000 1.016 1 V CA 0.262 62.600 62.300 0.063 0.000 1.097 1 V CB 0.114 31.971 31.823 0.056 0.000 0.947 1 V HN 0.641 nan 8.190 nan 0.000 0.479 2 R N 6.085 126.625 120.500 0.066 0.000 2.216 2 R HA 0.339 8.575 4.340 6.494 0.000 0.332 2 R C -2.479 173.860 176.300 0.065 0.000 1.056 2 R CA -1.569 54.569 56.100 0.064 0.000 0.901 2 R CB 0.626 30.969 30.300 0.071 0.000 1.039 2 R HN 0.478 nan 8.270 nan 0.000 0.456 3 P HA -0.019 nan 4.420 nan 0.000 0.268 3 P C -0.950 176.390 177.300 0.067 0.000 1.208 3 P CA 0.121 63.257 63.100 0.059 0.000 0.777 3 P CB 0.873 32.605 31.700 0.054 0.000 0.875 4 A N 1.749 124.609 122.820 0.067 0.000 2.350 4 A HA 0.732 8.948 4.320 6.494 0.000 0.318 4 A C -1.112 176.520 177.584 0.080 0.000 1.132 4 A CA -0.586 51.492 52.037 0.069 0.000 0.811 4 A CB 1.204 20.236 19.000 0.054 0.000 1.313 4 A HN 0.330 nan 8.150 nan 0.000 0.454 5 V N 1.475 121.440 119.914 0.085 0.000 2.709 5 V HA 0.317 8.333 4.120 6.494 0.000 0.308 5 V C -0.574 175.582 176.094 0.105 0.000 1.062 5 V CA -0.259 62.110 62.300 0.115 0.000 0.901 5 V CB 1.854 33.751 31.823 0.123 0.000 1.003 5 V HN 0.743 nan 8.190 nan 0.000 0.425 6 I N 3.833 124.494 120.570 0.151 0.000 2.347 6 I HA 0.246 8.312 4.170 6.494 0.000 0.294 6 I C 1.321 177.563 176.117 0.208 0.000 1.090 6 I CA 0.176 61.557 61.300 0.135 0.000 1.314 6 I CB 1.206 39.287 38.000 0.135 0.000 1.423 6 I HN 0.801 nan 8.210 nan 0.000 0.503 7 A N 5.514 128.392 122.820 0.097 0.000 2.030 7 A HA 0.622 8.839 4.320 6.494 0.000 0.215 7 A C 0.979 178.655 177.584 0.153 0.000 1.164 7 A CA 0.838 52.961 52.037 0.144 0.000 0.697 7 A CB 0.190 19.271 19.000 0.136 0.000 0.827 7 A HN 0.755 nan 8.150 nan 0.000 0.457 8 A N -1.651 121.202 122.820 0.055 0.000 2.608 8 A HA 0.628 8.844 4.320 6.494 0.000 0.292 8 A C -0.393 177.222 177.584 0.052 0.000 1.066 8 A CA 0.160 52.244 52.037 0.078 0.000 0.676 8 A CB 0.323 19.374 19.000 0.085 0.000 1.277 8 A HN 0.827 nan 8.150 nan 0.000 0.413 9 T N -1.435 113.178 114.554 0.099 0.000 2.883 9 T HA 0.912 9.158 4.350 6.494 0.000 0.296 9 T C -0.006 174.767 174.700 0.122 0.000 1.117 9 T CA -0.246 61.921 62.100 0.112 0.000 1.006 9 T CB 1.810 70.800 68.868 0.204 0.000 1.191 9 T HN 2.139 nan 8.240 nan 0.000 0.508 10 G N -0.191 108.550 108.800 -0.099 0.000 2.672 10 G HA2 0.675 8.531 3.960 6.494 0.000 0.292 10 G HA3 0.675 8.531 3.960 6.494 0.000 0.292 10 G C -2.200 172.398 174.900 -0.504 0.000 1.375 10 G CA -0.884 44.079 45.100 -0.228 0.000 0.890 10 G HN 0.961 nan 8.290 nan 0.000 0.476 11 L N 0.356 121.303 121.223 -0.459 0.000 2.493 11 L HA 0.735 8.972 4.340 6.494 0.000 0.265 11 L C -2.089 174.707 176.870 -0.122 0.000 0.954 11 L CA -1.033 53.573 54.840 -0.390 0.000 0.844 11 L CB 2.067 43.768 42.059 -0.597 0.000 1.302 11 L HN 0.631 nan 8.230 nan 0.000 0.405 12 Y N 3.369 123.567 120.300 -0.170 0.000 2.328 12 Y HA 0.733 9.179 4.550 6.493 0.000 0.336 12 Y C -0.868 174.970 175.900 -0.103 0.000 0.960 12 Y CA -0.428 57.604 58.100 -0.114 0.000 1.134 12 Y CB 1.742 40.148 38.460 -0.090 0.000 1.166 12 Y HN 0.673 nan 8.280 nan 0.000 0.464 13 T N 9.278 123.308 114.554 -0.873 0.000 2.770 13 T HA 0.380 8.627 4.350 6.494 0.000 0.283 13 T C -2.662 171.359 174.700 -1.132 0.000 0.988 13 T CA -1.430 60.166 62.100 -0.841 0.000 0.957 13 T CB 1.226 69.690 68.868 -0.673 0.000 0.930 13 T HN 0.452 nan 8.240 nan 0.000 0.443 14 P HA 0.120 nan 4.420 nan 0.000 0.268 14 P C -1.639 175.522 177.300 -0.230 0.000 1.208 14 P CA -1.207 61.658 63.100 -0.392 0.000 0.777 14 P CB 0.299 31.972 31.700 -0.046 0.000 0.875 15 P HA -0.017 nan 4.420 nan 0.000 0.225 15 P C -0.326 177.006 177.300 0.053 0.000 1.156 15 P CA 1.310 64.399 63.100 -0.019 0.000 0.787 15 P CB 0.378 32.087 31.700 0.015 0.000 0.802 16 D N -0.068 120.378 120.400 0.076 0.000 2.168 16 D HA 0.330 8.867 4.640 6.494 0.000 0.246 16 D C -0.010 176.340 176.300 0.084 0.000 1.050 16 D CA -0.059 53.981 54.000 0.066 0.000 0.857 16 D CB 1.549 42.372 40.800 0.038 0.000 1.169 16 D HN -0.108 nan 8.370 nan 0.000 0.453 17 S N 0.301 116.002 115.700 0.002 0.000 2.578 17 S HA 0.552 8.919 4.470 6.494 0.000 0.301 17 S C -0.291 174.250 174.600 -0.099 0.000 1.091 17 S CA -0.772 57.347 58.200 -0.134 0.000 1.032 17 S CB 1.902 64.945 63.200 -0.263 0.000 1.064 17 S HN 0.167 nan 8.310 nan 0.000 0.508 18 V N 3.072 122.917 119.914 -0.116 0.000 2.326 18 V HA 0.369 8.385 4.120 6.494 0.000 0.281 18 V C 0.399 176.441 176.094 -0.086 0.000 1.015 18 V CA -0.738 61.520 62.300 -0.070 0.000 0.823 18 V CB 0.962 32.764 31.823 -0.035 0.000 1.009 18 V HN 1.011 nan 8.190 nan 0.000 0.436 19 S N 3.803 119.459 115.700 -0.073 0.000 2.589 19 S HA 0.154 8.521 4.470 6.494 0.000 0.265 19 S C 1.117 175.695 174.600 -0.035 0.000 1.342 19 S CA -0.390 57.766 58.200 -0.073 0.000 1.005 19 S CB 0.609 63.775 63.200 -0.056 0.000 0.909 19 S HN 0.616 nan 8.310 nan 0.000 0.555 20 N N 1.579 120.254 118.700 -0.041 0.000 2.094 20 N HA -0.129 8.508 4.740 6.494 0.000 0.191 20 N C 1.990 177.513 175.510 0.021 0.000 1.023 20 N CA 1.751 54.791 53.050 -0.017 0.000 0.857 20 N CB -1.296 37.164 38.487 -0.046 0.000 1.013 20 N HN 0.828 nan 8.380 nan 0.000 0.426 21 A N 1.124 123.951 122.820 0.011 0.000 1.908 21 A HA -0.166 8.050 4.320 6.494 0.000 0.218 21 A C 2.120 179.734 177.584 0.051 0.000 1.181 21 A CA 1.563 53.619 52.037 0.032 0.000 0.627 21 A CB -0.537 18.473 19.000 0.016 0.000 0.818 21 A HN 0.375 nan 8.150 nan 0.000 0.445 22 E N -0.874 119.347 120.200 0.035 0.000 2.072 22 E HA -0.161 8.085 4.350 6.494 0.000 0.191 22 E C 1.956 178.606 176.600 0.083 0.000 0.985 22 E CA 1.111 57.538 56.400 0.043 0.000 0.801 22 E CB -0.237 29.472 29.700 0.015 0.000 0.750 22 E HN 0.503 nan 8.360 nan 0.000 0.452 23 L N 0.593 121.875 121.223 0.099 0.000 2.017 23 L HA -0.170 8.066 4.340 6.494 0.000 0.208 23 L C 2.229 179.273 176.870 0.290 0.000 1.073 23 L CA 1.358 56.307 54.840 0.182 0.000 0.745 23 L CB -0.224 41.933 42.059 0.164 0.000 0.894 23 L HN -0.041 nan 8.230 nan 0.000 0.432 24 V N -0.462 119.601 119.914 0.247 0.000 2.427 24 V HA -0.270 7.747 4.120 6.494 0.000 0.248 24 V C 2.521 178.770 176.094 0.258 0.000 1.051 24 V CA 1.842 64.317 62.300 0.292 0.000 1.048 24 V CB -0.549 31.394 31.823 0.199 0.000 0.666 24 V HN 0.580 nan 8.190 nan 0.000 0.456 25 E N 0.309 120.614 120.200 0.175 0.000 2.051 25 E HA -0.222 8.024 4.350 6.494 0.000 0.192 25 E C 2.246 178.936 176.600 0.151 0.000 0.991 25 E CA 1.419 57.900 56.400 0.135 0.000 0.799 25 E CB -0.210 29.543 29.700 0.088 0.000 0.748 25 E HN 0.568 nan 8.360 nan 0.000 0.449 26 A N 0.490 123.410 122.820 0.166 0.000 1.873 26 A HA -0.155 8.061 4.320 6.494 0.000 0.215 26 A C 2.017 179.730 177.584 0.216 0.000 1.186 26 A CA 1.200 53.330 52.037 0.155 0.000 0.616 26 A CB -0.908 18.165 19.000 0.121 0.000 0.823 26 A HN 0.503 nan 8.150 nan 0.000 0.442 27 F N 1.441 121.477 119.950 0.143 0.000 2.126 27 F HA -0.220 8.203 4.527 6.494 0.000 0.299 27 F C 1.923 177.817 175.800 0.157 0.000 1.096 27 F CA 2.123 60.211 58.000 0.146 0.000 1.255 27 F CB -0.142 38.887 39.000 0.048 0.000 0.997 27 F HN 0.211 nan 8.300 nan 0.000 0.479 28 N N -0.436 118.433 118.700 0.281 0.000 2.331 28 N HA -0.100 8.537 4.740 6.494 0.000 0.180 28 N C 1.738 177.269 175.510 0.036 0.000 1.019 28 N CA 1.634 54.770 53.050 0.144 0.000 0.881 28 N CB -0.723 37.869 38.487 0.175 0.000 0.972 28 N HN 0.286 nan 8.380 nan 0.000 0.435 29 T N 0.062 114.654 114.554 0.062 0.000 2.812 29 T HA -0.127 8.119 4.350 6.494 0.000 0.264 29 T C 1.675 176.382 174.700 0.012 0.000 1.042 29 T CA 0.739 62.861 62.100 0.036 0.000 1.140 29 T CB -0.403 68.500 68.868 0.058 0.000 0.870 29 T HN 0.324 nan 8.240 nan 0.000 0.445 30 Y N 2.221 122.460 120.300 -0.101 0.000 2.128 30 Y HA -0.183 8.263 4.550 6.494 0.000 0.284 30 Y C 2.161 177.969 175.900 -0.154 0.000 1.154 30 Y CA 0.826 58.843 58.100 -0.139 0.000 1.149 30 Y CB -0.835 37.488 38.460 -0.229 0.000 0.976 30 Y HN -0.024 nan 8.280 nan 0.000 0.505 31 V N 0.861 120.437 119.914 -0.563 0.000 2.261 31 V HA -0.329 7.687 4.120 6.494 0.000 0.246 31 V C 2.782 178.722 176.094 -0.255 0.000 1.047 31 V CA 2.049 64.019 62.300 -0.550 0.000 1.015 31 V CB -1.624 29.987 31.823 -0.353 0.000 0.642 31 V HN 0.613 nan 8.190 nan 0.000 0.446 32 A N 0.278 123.012 122.820 -0.143 0.000 1.902 32 A HA -0.232 7.985 4.320 6.494 0.000 0.217 32 A C 2.031 179.576 177.584 -0.066 0.000 1.181 32 A CA 2.092 54.087 52.037 -0.070 0.000 0.623 32 A CB -0.679 18.299 19.000 -0.037 0.000 0.818 32 A HN 0.606 nan 8.150 nan 0.000 0.443 33 N N -0.972 117.681 118.700 -0.079 0.000 2.142 33 N HA -0.119 8.517 4.740 6.494 0.000 0.186 33 N C 1.429 176.895 175.510 -0.075 0.000 1.023 33 N CA 1.457 54.471 53.050 -0.061 0.000 0.852 33 N CB -0.650 37.820 38.487 -0.029 0.000 0.998 33 N HN 0.591 nan 8.380 nan 0.000 0.424 34 F N 2.165 121.933 119.950 -0.303 0.000 2.102 34 F HA -0.126 8.297 4.527 6.494 0.000 0.298 34 F C 1.833 177.516 175.800 -0.194 0.000 1.105 34 F CA 1.230 59.054 58.000 -0.294 0.000 1.239 34 F CB -0.137 38.549 39.000 -0.522 0.000 0.991 34 F HN -0.035 nan 8.300 nan 0.000 0.474 35 N N 0.935 119.690 118.700 0.091 0.000 2.166 35 N HA -0.154 8.482 4.740 6.494 0.000 0.186 35 N C 1.963 177.423 175.510 -0.083 0.000 1.019 35 N CA 1.405 54.472 53.050 0.029 0.000 0.856 35 N CB -0.822 37.690 38.487 0.042 0.000 0.993 35 N HN 0.457 nan 8.380 nan 0.000 0.426 36 A N 0.924 123.693 122.820 -0.085 0.000 1.898 36 A HA 0.091 8.307 4.320 6.494 0.000 0.216 36 A C 2.336 179.843 177.584 -0.129 0.000 1.181 36 A CA 1.775 53.760 52.037 -0.088 0.000 0.620 36 A CB -0.811 18.151 19.000 -0.064 0.000 0.819 36 A HN 0.297 nan 8.150 nan 0.000 0.442 37 A N -0.275 122.436 122.820 -0.181 0.000 1.972 37 A HA -0.111 8.106 4.320 6.494 0.000 0.219 37 A C 1.560 178.988 177.584 -0.261 0.000 1.169 37 A CA 1.406 53.319 52.037 -0.207 0.000 0.635 37 A CB -0.365 18.500 19.000 -0.226 0.000 0.810 37 A HN 0.542 nan 8.150 nan 0.000 0.446 38 N N -0.778 117.703 118.700 -0.364 0.000 2.273 38 N HA 0.044 8.680 4.740 6.494 0.000 0.231 38 N C 1.083 176.479 175.510 -0.190 0.000 1.134 38 N CA 0.068 52.909 53.050 -0.348 0.000 0.856 38 N CB 0.449 38.558 38.487 -0.631 0.000 1.068 38 N HN 0.605 nan 8.380 nan 0.000 0.510 39 K N 1.516 121.832 120.400 -0.140 0.000 2.074 39 K HA -0.143 8.074 4.320 6.494 0.000 0.209 39 K C 1.821 178.383 176.600 -0.063 0.000 1.048 39 K CA 1.516 57.753 56.287 -0.083 0.000 0.926 39 K CB 0.112 32.572 32.500 -0.067 0.000 0.713 39 K HN 0.098 nan 8.250 nan 0.000 0.444 40 A N 1.225 124.006 122.820 -0.066 0.000 1.898 40 A HA -0.123 8.094 4.320 6.494 0.000 0.216 40 A C 2.087 179.647 177.584 -0.041 0.000 1.181 40 A CA 1.309 53.318 52.037 -0.047 0.000 0.620 40 A CB -0.413 18.560 19.000 -0.045 0.000 0.819 40 A HN 0.344 nan 8.150 nan 0.000 0.442 41 R N -0.534 119.935 120.500 -0.053 0.000 2.081 41 R HA -0.071 8.165 4.340 6.494 0.000 0.235 41 R C 1.954 178.244 176.300 -0.017 0.000 1.131 41 R CA 1.687 57.765 56.100 -0.036 0.000 0.960 41 R CB -0.481 29.791 30.300 -0.048 0.000 0.856 41 R HN 0.581 nan 8.270 nan 0.000 0.436 42 I N 0.677 121.235 120.570 -0.021 0.000 2.202 42 I HA -0.238 7.828 4.170 6.494 0.000 0.242 42 I C 1.912 178.027 176.117 -0.003 0.000 1.091 42 I CA 1.412 62.714 61.300 0.002 0.000 1.368 42 I CB -0.215 37.789 38.000 0.007 0.000 1.058 42 I HN 0.197 nan 8.210 nan 0.000 0.410 43 E N 0.684 120.876 120.200 -0.013 0.000 2.338 43 E HA -0.118 8.128 4.350 6.494 0.000 0.197 43 E C 1.941 178.536 176.600 -0.008 0.000 1.007 43 E CA 0.900 57.294 56.400 -0.011 0.000 0.849 43 E CB -0.045 29.645 29.700 -0.016 0.000 0.774 43 E HN 0.496 nan 8.360 nan 0.000 0.506 44 A N 0.127 122.941 122.820 -0.009 0.000 2.275 44 A HA 0.294 8.510 4.320 6.494 0.000 0.212 44 A C 1.665 179.249 177.584 -0.000 0.000 1.201 44 A CA 0.645 52.678 52.037 -0.006 0.000 0.843 44 A CB -0.103 18.892 19.000 -0.008 0.000 0.873 44 A HN 0.286 nan 8.150 nan 0.000 0.492 45 G N -0.311 108.491 108.800 0.003 0.000 2.143 45 G HA2 -0.302 7.554 3.960 6.494 0.000 0.248 45 G HA3 -0.302 7.554 3.960 6.494 0.000 0.248 45 G C 0.558 175.465 174.900 0.012 0.000 0.991 45 G CA 0.743 45.848 45.100 0.008 0.000 0.689 45 G HN 0.600 nan 8.290 nan 0.000 0.522 46 E N -0.558 119.649 120.200 0.012 0.000 2.107 46 E HA 0.162 8.408 4.350 6.494 0.000 0.191 46 E C 1.551 178.169 176.600 0.030 0.000 0.982 46 E CA 1.244 57.654 56.400 0.017 0.000 0.809 46 E CB 0.084 29.790 29.700 0.011 0.000 0.756 46 E HN 0.915 nan 8.360 nan 0.000 0.459 47 I N -2.173 118.420 120.570 0.039 0.000 3.074 47 I HA 0.409 8.476 4.170 6.494 0.000 0.310 47 I C -0.821 175.330 176.117 0.058 0.000 1.153 47 I CA -1.262 60.075 61.300 0.061 0.000 0.993 47 I CB 2.103 40.169 38.000 0.110 0.000 1.237 47 I HN -0.289 nan 8.210 nan 0.000 0.443 48 E N 2.938 123.172 120.200 0.056 0.000 2.349 48 E HA 0.373 8.619 4.350 6.494 0.000 0.265 48 E C -2.364 174.278 176.600 0.069 0.000 1.064 48 E CA -1.658 54.768 56.400 0.044 0.000 0.886 48 E CB 0.380 30.094 29.700 0.024 0.000 1.036 48 E HN 0.458 nan 8.360 nan 0.000 0.413 49 P HA 0.028 nan 4.420 nan 0.000 0.272 49 P C -0.470 176.838 177.300 0.012 0.000 1.223 49 P CA -0.011 63.131 63.100 0.070 0.000 0.784 49 P CB 0.598 32.320 31.700 0.036 0.000 0.923 50 L N 1.860 123.059 121.223 -0.039 0.000 2.439 50 L HA 0.138 8.374 4.340 6.494 0.000 0.269 50 L C 1.091 177.919 176.870 -0.071 0.000 1.179 50 L CA -0.201 54.552 54.840 -0.145 0.000 0.828 50 L CB 0.002 41.837 42.059 -0.373 0.000 1.106 50 L HN 0.285 nan 8.230 nan 0.000 0.467 51 Q N 2.980 122.758 119.800 -0.036 0.000 2.245 51 Q HA 0.426 8.662 4.340 6.494 0.000 0.256 51 Q C -2.209 173.830 176.000 0.065 0.000 0.942 51 Q CA -2.013 53.784 55.803 -0.011 0.000 0.896 51 Q CB 1.467 30.179 28.738 -0.043 0.000 1.272 51 Q HN 0.308 nan 8.270 nan 0.000 0.442 52 P HA 0.056 nan 4.420 nan 0.000 0.272 52 P C -0.171 177.205 177.300 0.127 0.000 1.230 52 P CA -0.100 63.097 63.100 0.162 0.000 0.788 52 P CB 0.883 32.638 31.700 0.092 0.000 0.949 53 S N 0.208 116.033 115.700 0.208 0.000 2.713 53 S HA 0.667 9.034 4.470 6.494 0.000 0.277 53 S C -0.323 174.353 174.600 0.127 0.000 1.168 53 S CA -0.189 58.041 58.200 0.049 0.000 0.994 53 S CB 0.158 63.298 63.200 -0.100 0.000 1.054 53 S HN 0.700 nan 8.310 nan 0.000 0.555 54 S N 0.141 115.954 115.700 0.188 0.000 2.565 54 S HA 0.424 8.790 4.470 6.494 0.000 0.269 54 S C 0.428 175.094 174.600 0.110 0.000 1.153 54 S CA -0.553 57.729 58.200 0.138 0.000 0.835 54 S CB 1.013 64.272 63.200 0.100 0.000 1.122 54 S HN 0.477 nan 8.310 nan 0.000 0.462 55 S N 0.809 116.539 115.700 0.050 0.000 2.382 55 S HA -0.129 8.238 4.470 6.494 0.000 0.228 55 S C 1.639 176.210 174.600 -0.048 0.000 1.027 55 S CA 1.565 59.756 58.200 -0.015 0.000 0.991 55 S CB -0.559 62.634 63.200 -0.012 0.000 0.823 55 S HN 0.834 nan 8.310 nan 0.000 0.469 56 E N 0.329 120.527 120.200 -0.004 0.000 2.058 56 E HA -0.221 8.026 4.350 6.494 0.000 0.194 56 E C 1.885 178.473 176.600 -0.019 0.000 0.997 56 E CA 1.299 57.694 56.400 -0.009 0.000 0.801 56 E CB -0.233 29.480 29.700 0.023 0.000 0.746 56 E HN 0.533 nan 8.360 nan 0.000 0.450 57 F N 1.375 121.248 119.950 -0.129 0.000 2.095 57 F HA -0.168 8.255 4.527 6.494 0.000 0.298 57 F C 1.932 177.532 175.800 -0.333 0.000 1.104 57 F CA 1.529 59.426 58.000 -0.172 0.000 1.232 57 F CB -0.310 38.614 39.000 -0.126 0.000 0.987 57 F HN 0.008 nan 8.300 nan 0.000 0.475 58 I N 0.447 120.610 120.570 -0.679 0.000 2.179 58 I HA -0.266 7.800 4.170 6.494 0.000 0.242 58 I C 2.386 178.063 176.117 -0.734 0.000 1.088 58 I CA 1.741 62.361 61.300 -1.135 0.000 1.357 58 I CB -0.638 36.907 38.000 -0.758 0.000 1.051 58 I HN 0.195 nan 8.210 nan 0.000 0.409 59 E N 0.608 120.571 120.200 -0.394 0.000 2.110 59 E HA -0.243 8.003 4.350 6.494 0.000 0.193 59 E C 2.140 178.610 176.600 -0.217 0.000 0.988 59 E CA 0.805 57.059 56.400 -0.244 0.000 0.804 59 E CB -0.070 29.543 29.700 -0.145 0.000 0.745 59 E HN 0.235 nan 8.360 nan 0.000 0.458 60 K N 1.072 121.337 120.400 -0.226 0.000 2.057 60 K HA -0.083 8.133 4.320 6.494 0.000 0.207 60 K C 1.930 178.420 176.600 -0.184 0.000 1.049 60 K CA 1.228 57.420 56.287 -0.158 0.000 0.931 60 K CB -0.151 32.287 32.500 -0.103 0.000 0.714 60 K HN 0.079 nan 8.250 nan 0.000 0.440 61 A N 0.227 122.829 122.820 -0.365 0.000 2.014 61 A HA -0.082 8.134 4.320 6.494 0.000 0.218 61 A C 1.815 179.338 177.584 -0.101 0.000 1.163 61 A CA 2.224 54.084 52.037 -0.295 0.000 0.652 61 A CB -0.130 18.494 19.000 -0.626 0.000 0.808 61 A HN 0.542 nan 8.150 nan 0.000 0.449 62 S N -5.267 110.348 115.700 -0.141 0.000 2.546 62 S HA 0.405 8.771 4.470 6.494 0.000 0.282 62 S C 1.368 175.957 174.600 -0.019 0.000 1.074 62 S CA 1.101 59.295 58.200 -0.010 0.000 1.254 62 S CB -0.181 63.069 63.200 0.084 0.000 1.103 62 S HN 1.976 nan 8.310 nan 0.000 0.589 63 G N 1.776 110.532 108.800 -0.072 0.000 2.179 63 G HA2 -0.218 7.638 3.960 6.494 0.000 0.260 63 G HA3 -0.218 7.638 3.960 6.494 0.000 0.260 63 G C -0.003 174.866 174.900 -0.051 0.000 0.977 63 G CA 0.268 45.338 45.100 -0.050 0.000 0.641 63 G HN 0.651 nan 8.290 nan 0.000 0.533 64 I N 0.328 120.859 120.570 -0.064 0.000 2.474 64 I HA 0.300 8.366 4.170 6.494 0.000 0.287 64 I C 1.329 177.396 176.117 -0.084 0.000 1.048 64 I CA 0.077 61.350 61.300 -0.045 0.000 1.383 64 I CB 1.317 39.323 38.000 0.010 0.000 1.412 64 I HN 0.035 nan 8.210 nan 0.000 0.531 65 K N 2.629 122.985 120.400 -0.074 0.000 2.425 65 K HA 0.254 8.470 4.320 6.494 0.000 0.201 65 K C 0.201 176.740 176.600 -0.101 0.000 1.128 65 K CA 0.123 56.359 56.287 -0.085 0.000 1.000 65 K CB 0.918 33.376 32.500 -0.071 0.000 0.961 65 K HN 0.586 nan 8.250 nan 0.000 0.555 66 S N 0.301 115.925 115.700 -0.125 0.000 2.615 66 S HA 0.450 8.816 4.470 6.494 0.000 0.268 66 S C -2.143 172.326 174.600 -0.218 0.000 1.146 66 S CA -0.948 57.138 58.200 -0.190 0.000 0.818 66 S CB 1.304 64.336 63.200 -0.280 0.000 1.111 66 S HN 0.240 nan 8.310 nan 0.000 0.465 67 R N 1.245 121.582 120.500 -0.272 0.000 2.707 67 R HA 0.440 8.676 4.340 6.494 0.000 0.272 67 R C -2.117 173.963 176.300 -0.366 0.000 1.011 67 R CA -0.589 55.356 56.100 -0.257 0.000 0.893 67 R CB -0.341 29.934 30.300 -0.041 0.000 1.233 67 R HN 0.608 nan 8.270 nan 0.000 0.464 68 Y N 0.483 120.719 120.300 -0.107 0.000 2.301 68 Y HA 0.496 8.942 4.550 6.494 0.000 0.325 68 Y C 0.920 176.802 175.900 -0.029 0.000 1.203 68 Y CA -0.226 57.811 58.100 -0.104 0.000 1.255 68 Y CB 1.624 39.981 38.460 -0.171 0.000 1.232 68 Y HN 0.506 nan 8.280 nan 0.000 0.501 69 V N -0.040 119.952 119.914 0.130 0.000 2.925 69 V HA 0.463 8.479 4.120 6.494 0.000 0.311 69 V C 0.068 176.215 176.094 0.089 0.000 1.104 69 V CA -0.835 61.522 62.300 0.095 0.000 0.954 69 V CB 1.184 33.039 31.823 0.053 0.000 1.022 69 V HN 0.724 nan 8.190 nan 0.000 0.427 70 V N -0.331 119.637 119.914 0.089 0.000 2.871 70 V HA 0.580 8.596 4.120 6.494 0.000 0.256 70 V C 0.961 177.091 176.094 0.061 0.000 1.082 70 V CA 1.309 63.664 62.300 0.092 0.000 1.105 70 V CB -0.215 31.666 31.823 0.097 0.000 0.713 70 V HN 2.039 nan 8.190 nan 0.000 0.473 71 A N -0.107 122.737 122.820 0.040 0.000 2.768 71 A HA 0.531 8.747 4.320 6.494 0.000 0.299 71 A C 0.750 178.326 177.584 -0.014 0.000 1.171 71 A CA -0.048 51.999 52.037 0.017 0.000 0.759 71 A CB 1.147 20.158 19.000 0.019 0.000 1.267 71 A HN 0.246 nan 8.150 nan 0.000 0.421 72 K N 2.118 122.507 120.400 -0.018 0.000 2.076 72 K HA 0.022 8.238 4.320 6.494 0.000 0.204 72 K C -1.027 175.533 176.600 -0.066 0.000 1.051 72 K CA 1.477 57.736 56.287 -0.047 0.000 0.949 72 K CB -0.390 32.095 32.500 -0.027 0.000 0.726 72 K HN 0.459 nan 8.250 nan 0.000 0.443 73 P HA -0.138 nan 4.420 nan 0.000 0.216 73 P C 1.108 178.373 177.300 -0.058 0.000 1.153 73 P CA 1.823 64.899 63.100 -0.039 0.000 0.858 73 P CB -0.254 31.433 31.700 -0.021 0.000 0.789 74 G N -0.824 107.934 108.800 -0.071 0.000 2.448 74 G HA2 -0.172 7.685 3.960 6.494 0.000 0.218 74 G HA3 -0.172 7.685 3.960 6.494 0.000 0.218 74 G C 1.469 176.279 174.900 -0.150 0.000 1.135 74 G CA 0.240 45.291 45.100 -0.081 0.000 0.784 74 G HN 0.252 nan 8.290 nan 0.000 0.543 75 I N 1.020 121.446 120.570 -0.241 0.000 2.546 75 I HA -0.073 7.993 4.170 6.494 0.000 0.255 75 I C 2.191 178.167 176.117 -0.235 0.000 1.163 75 I CA 0.642 61.680 61.300 -0.437 0.000 1.457 75 I CB 0.234 37.858 38.000 -0.627 0.000 1.092 75 I HN 0.160 nan 8.210 nan 0.000 0.434 76 V N -3.235 116.605 119.914 -0.122 0.000 3.444 76 V HA 0.224 8.240 4.120 6.494 0.000 0.308 76 V C 0.173 176.257 176.094 -0.015 0.000 1.371 76 V CA -0.252 62.022 62.300 -0.043 0.000 1.141 76 V CB -0.412 31.397 31.823 -0.023 0.000 1.037 76 V HN 0.127 nan 8.190 nan 0.000 0.433 77 D N 2.347 122.729 120.400 -0.030 0.000 2.392 77 D HA 0.365 8.901 4.640 6.494 0.000 0.228 77 D C -1.534 174.772 176.300 0.010 0.000 1.074 77 D CA -2.090 51.907 54.000 -0.005 0.000 0.838 77 D CB 2.476 43.268 40.800 -0.014 0.000 1.067 77 D HN 0.166 nan 8.370 nan 0.000 0.511 78 P HA -0.037 nan 4.420 nan 0.000 0.228 78 P C 0.264 177.624 177.300 0.100 0.000 1.151 78 P CA 0.615 63.766 63.100 0.086 0.000 0.770 78 P CB 0.620 32.386 31.700 0.110 0.000 0.786 79 D N -0.712 119.726 120.400 0.064 0.000 2.349 79 D HA 0.097 8.633 4.640 6.494 0.000 0.214 79 D C 0.871 177.193 176.300 0.036 0.000 1.063 79 D CA 0.254 54.294 54.000 0.067 0.000 0.847 79 D CB 0.936 41.768 40.800 0.053 0.000 0.933 79 D HN 0.092 nan 8.370 nan 0.000 0.513 83 P HA 0.181 nan 4.420 nan 0.000 0.269 83 P C -0.682 176.625 177.300 0.013 0.000 1.209 83 P CA -0.099 63.000 63.100 -0.002 0.000 0.776 83 P CB 0.445 32.177 31.700 0.053 0.000 0.876 84 I N 3.730 124.301 120.570 0.001 0.000 2.354 84 I HA 0.366 8.432 4.170 6.494 0.000 0.286 84 I C -0.017 176.108 176.117 0.013 0.000 1.007 84 I CA -0.184 61.122 61.300 0.009 0.000 1.167 84 I CB 0.661 38.662 38.000 0.001 0.000 1.320 84 I HN 0.115 nan 8.210 nan 0.000 0.458 85 I N 7.782 128.364 120.570 0.020 0.000 2.521 85 I HA 0.318 8.384 4.170 6.494 0.000 0.277 85 I C -2.143 173.983 176.117 0.016 0.000 1.054 85 I CA -1.616 59.696 61.300 0.020 0.000 1.117 85 I CB 1.137 39.153 38.000 0.027 0.000 1.217 85 I HN 0.327 nan 8.210 nan 0.000 0.469 86 P HA 0.130 nan 4.420 nan 0.000 0.267 86 P C -0.291 177.013 177.300 0.007 0.000 1.200 86 P CA -0.172 62.933 63.100 0.009 0.000 0.772 86 P CB 0.590 32.294 31.700 0.007 0.000 0.855 87 E N 1.681 121.885 120.200 0.006 0.000 2.383 87 E HA 0.149 8.395 4.350 6.494 0.000 0.264 87 E C 0.107 176.707 176.600 0.000 0.000 1.050 87 E CA -0.153 56.249 56.400 0.002 0.000 0.896 87 E CB 0.630 30.331 29.700 0.002 0.000 0.982 87 E HN 0.294 nan 8.360 nan 0.000 0.424 88 R N 0.983 121.482 120.500 -0.003 0.000 2.643 88 R HA 0.242 8.478 4.340 6.494 0.000 0.272 88 R C 0.017 176.314 176.300 -0.005 0.000 0.995 88 R CA -0.593 55.505 56.100 -0.005 0.000 1.032 88 R CB 1.547 31.842 30.300 -0.008 0.000 1.126 88 R HN 0.413 nan 8.270 nan 0.000 0.505 89 S N 0.819 116.516 115.700 -0.004 0.000 2.563 89 S HA -0.049 8.317 4.470 6.494 0.000 0.284 89 S C 0.963 175.560 174.600 -0.005 0.000 1.331 89 S CA -0.434 57.764 58.200 -0.003 0.000 1.047 89 S CB 0.367 63.566 63.200 -0.002 0.000 0.859 89 S HN 0.521 nan 8.310 nan 0.000 0.514 90 N N 2.892 121.590 118.700 -0.003 0.000 2.272 90 N HA -0.097 8.539 4.740 6.494 0.000 0.185 90 N C 0.833 176.342 175.510 -0.001 0.000 1.014 90 N CA 1.193 54.242 53.050 -0.002 0.000 0.870 90 N CB -0.384 38.104 38.487 0.002 0.000 0.975 90 N HN 0.615 nan 8.380 nan 0.000 0.433 91 D N 0.709 121.108 120.400 -0.001 0.000 2.312 91 D HA -0.026 8.510 4.640 6.494 0.000 0.211 91 D C 0.171 176.469 176.300 -0.005 0.000 0.964 91 D CA 0.663 54.663 54.000 -0.001 0.000 0.877 91 D CB 0.069 40.869 40.800 -0.000 0.000 0.924 91 D HN 0.458 nan 8.370 nan 0.000 0.515 92 E N 0.206 120.402 120.200 -0.007 0.000 2.248 92 E HA 0.292 8.539 4.350 6.494 0.000 0.272 92 E C -0.368 176.223 176.600 -0.015 0.000 1.008 92 E CA -1.091 55.302 56.400 -0.011 0.000 0.856 92 E CB 1.854 31.547 29.700 -0.012 0.000 1.120 92 E HN -0.108 nan 8.360 nan 0.000 0.397 93 L N 2.485 123.696 121.223 -0.020 0.000 2.499 93 L HA -0.000 8.236 4.340 6.494 0.000 0.273 93 L C 0.095 176.947 176.870 -0.030 0.000 1.195 93 L CA 0.472 55.296 54.840 -0.027 0.000 0.882 93 L CB 0.322 42.359 42.059 -0.037 0.000 1.133 93 L HN 0.594 nan 8.230 nan 0.000 0.483 94 S N 4.643 120.326 115.700 -0.028 0.000 2.584 94 S HA 0.072 8.439 4.470 6.494 0.000 0.270 94 S C 1.414 175.993 174.600 -0.036 0.000 1.346 94 S CA 0.013 58.197 58.200 -0.027 0.000 1.018 94 S CB 0.374 63.560 63.200 -0.024 0.000 0.899 94 S HN 0.787 nan 8.310 nan 0.000 0.542 95 I N 0.823 121.376 120.570 -0.029 0.000 2.226 95 I HA -0.149 7.917 4.170 6.494 0.000 0.245 95 I C 2.108 178.200 176.117 -0.041 0.000 1.100 95 I CA 1.344 62.624 61.300 -0.033 0.000 1.374 95 I CB -0.190 37.804 38.000 -0.011 0.000 1.057 95 I HN 0.744 nan 8.210 nan 0.000 0.413 96 L N 1.066 122.272 121.223 -0.029 0.000 2.056 96 L HA -0.088 8.148 4.340 6.494 0.000 0.207 96 L C 2.557 179.398 176.870 -0.048 0.000 1.078 96 L CA 2.104 56.927 54.840 -0.029 0.000 0.749 96 L CB -0.790 41.258 42.059 -0.019 0.000 0.901 96 L HN 0.263 nan 8.230 nan 0.000 0.433 97 A N -0.991 121.801 122.820 -0.048 0.000 1.933 97 A HA -0.198 8.018 4.320 6.494 0.000 0.218 97 A C 1.572 179.106 177.584 -0.083 0.000 1.175 97 A CA 1.046 53.050 52.037 -0.055 0.000 0.628 97 A CB -0.657 18.318 19.000 -0.041 0.000 0.814 97 A HN 0.578 nan 8.150 nan 0.000 0.444 101 V N 1.245 121.098 119.914 -0.101 0.000 2.343 101 V HA -0.186 7.830 4.120 6.494 0.000 0.247 101 V C 2.639 178.679 176.094 -0.089 0.000 1.051 101 V CA 2.934 65.183 62.300 -0.086 0.000 1.036 101 V CB -0.907 30.866 31.823 -0.083 0.000 0.654 101 V HN 0.634 nan 8.190 nan 0.000 0.451 102 T N 0.364 114.834 114.554 -0.139 0.000 2.708 102 T HA -0.140 8.107 4.350 6.494 0.000 0.266 102 T C 2.077 176.755 174.700 -0.036 0.000 1.037 102 T CA 1.577 63.610 62.100 -0.111 0.000 1.146 102 T CB -0.431 68.290 68.868 -0.245 0.000 0.865 102 T HN 0.562 nan 8.240 nan 0.000 0.435 103 A N 1.566 124.369 122.820 -0.029 0.000 1.902 103 A HA 0.125 8.342 4.320 6.494 0.000 0.217 103 A C 2.660 180.213 177.584 -0.052 0.000 1.181 103 A CA 1.894 53.910 52.037 -0.034 0.000 0.623 103 A CB -1.165 17.805 19.000 -0.050 0.000 0.818 103 A HN 0.507 nan 8.150 nan 0.000 0.443 104 A N -0.316 122.471 122.820 -0.056 0.000 1.933 104 A HA -0.189 8.027 4.320 6.494 0.000 0.218 104 A C 1.903 179.474 177.584 -0.020 0.000 1.175 104 A CA 1.740 53.746 52.037 -0.051 0.000 0.628 104 A CB -0.542 18.424 19.000 -0.058 0.000 0.814 104 A HN 0.646 nan 8.150 nan 0.000 0.444 105 E N -0.878 119.314 120.200 -0.014 0.000 2.110 105 E HA -0.241 8.005 4.350 6.494 0.000 0.193 105 E C 2.239 178.855 176.600 0.027 0.000 0.988 105 E CA 1.257 57.662 56.400 0.009 0.000 0.804 105 E CB -0.122 29.577 29.700 -0.002 0.000 0.745 105 E HN 0.812 nan 8.360 nan 0.000 0.458 106 Q N 0.377 120.189 119.800 0.020 0.000 2.046 106 Q HA -0.173 8.063 4.340 6.494 0.000 0.200 106 Q C 2.161 178.197 176.000 0.060 0.000 0.975 106 Q CA 1.392 57.219 55.803 0.040 0.000 0.836 106 Q CB -0.109 28.649 28.738 0.033 0.000 0.896 106 Q HN 0.248 nan 8.270 nan 0.000 0.428 107 A N 0.837 123.678 122.820 0.035 0.000 1.877 107 A HA -0.185 8.031 4.320 6.494 0.000 0.216 107 A C 1.997 179.643 177.584 0.102 0.000 1.186 107 A CA 1.460 53.522 52.037 0.042 0.000 0.620 107 A CB -0.728 18.252 19.000 -0.033 0.000 0.822 107 A HN 0.487 nan 8.150 nan 0.000 0.443 108 I N -0.401 120.233 120.570 0.106 0.000 2.226 108 I HA -0.249 7.817 4.170 6.494 0.000 0.245 108 I C 2.652 178.902 176.117 0.222 0.000 1.100 108 I CA 1.666 63.099 61.300 0.220 0.000 1.374 108 I CB -0.317 37.781 38.000 0.163 0.000 1.057 108 I HN 0.502 nan 8.210 nan 0.000 0.413 109 E N 1.858 122.136 120.200 0.131 0.000 2.058 109 E HA -0.256 7.991 4.350 6.494 0.000 0.194 109 E C 2.308 178.975 176.600 0.110 0.000 0.997 109 E CA 1.569 58.026 56.400 0.096 0.000 0.801 109 E CB -0.074 29.665 29.700 0.064 0.000 0.746 109 E HN 0.443 nan 8.360 nan 0.000 0.450 110 R N -0.678 119.900 120.500 0.129 0.000 2.081 110 R HA -0.157 8.080 4.340 6.494 0.000 0.235 110 R C 2.217 178.637 176.300 0.199 0.000 1.131 110 R CA 1.536 57.714 56.100 0.130 0.000 0.960 110 R CB -0.566 29.804 30.300 0.118 0.000 0.856 110 R HN 0.296 nan 8.270 nan 0.000 0.436 111 W N 0.820 122.130 121.300 0.018 0.000 2.338 111 W HA -0.132 8.423 4.660 6.492 0.000 0.304 111 W C 1.327 177.852 176.519 0.010 0.000 1.212 111 W CA 2.126 59.482 57.345 0.018 0.000 1.264 111 W CB -0.497 28.974 29.460 0.018 0.000 1.142 111 W HN 0.379 nan 8.180 nan 0.000 0.512 112 G N 0.340 109.165 108.800 0.042 0.000 2.162 112 G HA2 -0.309 7.547 3.960 6.494 0.000 0.260 112 G HA3 -0.309 7.547 3.960 6.494 0.000 0.260 112 G C 0.517 175.225 174.900 -0.319 0.000 0.976 112 G CA 0.536 45.565 45.100 -0.119 0.000 0.655 112 G HN 0.373 nan 8.290 nan 0.000 0.533 113 K N 0.395 120.391 120.400 -0.673 0.000 2.123 113 K HA 0.520 8.736 4.320 6.494 0.000 0.248 113 K C -2.579 173.720 176.600 -0.501 0.000 0.969 113 K CA -2.048 53.740 56.287 -0.831 0.000 0.882 113 K CB 1.189 32.724 32.500 -1.608 0.000 1.080 113 K HN -0.059 nan 8.250 nan 0.000 0.441 114 P HA 0.003 nan 4.420 nan 0.000 0.267 114 P C 0.106 177.401 177.300 -0.008 0.000 1.205 114 P CA -0.039 62.989 63.100 -0.119 0.000 0.765 114 P CB 0.484 32.130 31.700 -0.090 0.000 0.828 115 R N 2.212 122.762 120.500 0.083 0.000 2.285 115 R HA -0.132 8.104 4.340 6.494 0.000 0.213 115 R C 0.639 177.018 176.300 0.132 0.000 1.068 115 R CA 1.201 57.410 56.100 0.182 0.000 1.004 115 R CB -0.461 29.917 30.300 0.130 0.000 0.873 115 R HN 0.247 nan 8.270 nan 0.000 0.467 116 E N 1.379 121.623 120.200 0.074 0.000 2.267 116 E HA -0.152 8.094 4.350 6.494 0.000 0.197 116 E C 1.804 178.450 176.600 0.077 0.000 0.998 116 E CA 1.026 57.459 56.400 0.055 0.000 0.830 116 E CB -0.200 29.517 29.700 0.028 0.000 0.751 116 E HN 0.433 nan 8.360 nan 0.000 0.491 117 R N 0.250 120.825 120.500 0.125 0.000 2.189 117 R HA 0.063 8.300 4.340 6.494 0.000 0.218 117 R C 0.169 176.586 176.300 0.195 0.000 1.074 117 R CA 0.175 56.378 56.100 0.172 0.000 0.991 117 R CB 0.025 30.459 30.300 0.223 0.000 0.883 117 R HN 0.109 nan 8.270 nan 0.000 0.457 118 I N 0.808 121.485 120.570 0.178 0.000 2.517 118 I HA 0.035 8.101 4.170 6.494 0.000 0.285 118 I C 1.226 177.327 176.117 -0.026 0.000 1.106 118 I CA 0.196 61.525 61.300 0.048 0.000 1.402 118 I CB 1.652 39.651 38.000 -0.001 0.000 1.399 118 I HN 0.255 nan 8.210 nan 0.000 0.535 119 G N 4.977 113.729 108.800 -0.080 0.000 2.921 119 G HA2 0.525 8.382 3.960 6.494 0.000 0.213 119 G HA3 0.525 8.382 3.960 6.494 0.000 0.213 119 G C 0.307 174.950 174.900 -0.429 0.000 1.143 119 G CA 0.352 45.364 45.100 -0.147 0.000 0.764 119 G HN 0.683 nan 8.290 nan 0.000 0.542 120 A N -0.384 122.159 122.820 -0.461 0.000 2.520 120 A HA 0.687 8.903 4.320 6.494 0.000 0.298 120 A C -1.628 175.724 177.584 -0.387 0.000 1.051 120 A CA -0.387 51.193 52.037 -0.761 0.000 0.690 120 A CB 1.992 20.449 19.000 -0.905 0.000 1.281 120 A HN 0.317 nan 8.150 nan 0.000 0.402 121 V N 2.540 122.254 119.914 -0.333 0.000 2.448 121 V HA 0.472 8.489 4.120 6.494 0.000 0.295 121 V C -0.541 175.406 176.094 -0.244 0.000 1.025 121 V CA -0.296 61.874 62.300 -0.217 0.000 0.859 121 V CB 1.361 33.099 31.823 -0.141 0.000 0.988 121 V HN 0.727 nan 8.190 nan 0.000 0.431 122 L N 4.455 125.525 121.223 -0.255 0.000 2.298 122 L HA 0.471 8.707 4.340 6.494 0.000 0.284 122 L C -0.224 176.529 176.870 -0.195 0.000 1.013 122 L CA -0.252 54.390 54.840 -0.331 0.000 0.824 122 L CB 1.568 43.423 42.059 -0.340 0.000 1.221 122 L HN 0.702 nan 8.230 nan 0.000 0.418 123 C N 4.479 123.693 119.300 -0.143 0.000 2.225 123 C HA 0.741 9.097 4.460 6.494 0.000 0.328 123 C C 0.649 175.605 174.990 -0.056 0.000 1.187 123 C CA -0.512 58.459 59.018 -0.079 0.000 1.665 123 C CB -0.612 27.103 27.740 -0.041 0.000 2.253 123 C HN 0.833 nan 8.230 nan 0.000 0.497 124 A N 6.019 128.801 122.820 -0.062 0.000 2.293 124 A HA 0.799 9.015 4.320 6.494 0.000 0.312 124 A C -0.100 177.459 177.584 -0.041 0.000 1.309 124 A CA -0.094 51.918 52.037 -0.042 0.000 0.839 124 A CB -0.081 18.889 19.000 -0.050 0.000 1.155 124 A HN 1.611 nan 8.150 nan 0.000 0.501 125 C N -0.068 119.213 119.300 -0.031 0.000 3.284 125 C HA 0.731 9.087 4.460 6.494 0.000 0.348 125 C C 1.342 176.315 174.990 -0.028 0.000 1.448 125 C CA 0.177 59.174 59.018 -0.035 0.000 1.223 125 C CB 1.080 28.798 27.740 -0.038 0.000 1.588 125 C HN 1.264 nan 8.230 nan 0.000 0.451 126 S N 0.745 116.432 115.700 -0.023 0.000 2.562 126 S HA 0.193 8.560 4.470 6.494 0.000 0.221 126 S C 0.415 174.978 174.600 -0.062 0.000 0.975 126 S CA 0.822 59.019 58.200 -0.005 0.000 0.918 126 S CB -0.599 62.639 63.200 0.062 0.000 0.772 126 S HN 0.946 nan 8.310 nan 0.000 0.531 130 R N -0.935 119.530 120.500 -0.058 0.000 2.771 130 R HA 0.687 8.923 4.340 6.494 0.000 0.274 130 R C 0.041 176.277 176.300 -0.107 0.000 0.987 130 R CA 0.274 56.310 56.100 -0.107 0.000 0.908 130 R CB 1.411 31.637 30.300 -0.123 0.000 1.213 130 R HN 0.105 nan 8.270 nan 0.000 0.468 131 A N 1.312 124.016 122.820 -0.193 0.000 1.929 131 A HA -0.005 8.211 4.320 6.494 0.000 0.216 131 A C -0.043 177.543 177.584 0.002 0.000 1.176 131 A CA 1.332 53.299 52.037 -0.117 0.000 0.628 131 A CB -0.256 18.652 19.000 -0.154 0.000 0.816 131 A HN 0.641 nan 8.150 nan 0.000 0.444 132 Y N -3.484 116.803 120.300 -0.021 0.000 2.565 132 Y HA 0.615 9.062 4.550 6.494 0.000 0.330 132 Y C -3.086 172.811 175.900 -0.004 0.000 1.150 132 Y CA -3.194 54.900 58.100 -0.011 0.000 1.055 132 Y CB 0.001 38.449 38.460 -0.020 0.000 1.337 132 Y HN -0.064 nan 8.280 nan 0.000 0.457 133 P HA 0.330 nan 4.420 nan 0.000 0.272 133 P C 0.083 177.443 177.300 0.100 0.000 1.223 133 P CA 0.023 63.214 63.100 0.151 0.000 0.784 133 P CB 0.953 32.711 31.700 0.098 0.000 0.923 137 I N 0.775 121.374 120.570 0.049 0.000 2.353 137 I HA -0.142 7.924 4.170 6.494 0.000 0.248 137 I C 2.310 178.442 176.117 0.026 0.000 1.119 137 I CA 1.798 63.128 61.300 0.050 0.000 1.417 137 I CB -0.088 37.956 38.000 0.074 0.000 1.078 137 I HN 0.602 nan 8.210 nan 0.000 0.421 138 E N 1.011 121.223 120.200 0.020 0.000 2.077 138 E HA -0.193 8.053 4.350 6.494 0.000 0.193 138 E C 2.317 178.912 176.600 -0.008 0.000 0.989 138 E CA 1.404 57.807 56.400 0.005 0.000 0.800 138 E CB 0.190 29.890 29.700 0.000 0.000 0.746 138 E HN 0.255 nan 8.360 nan 0.000 0.452 139 V N 1.245 121.149 119.914 -0.016 0.000 2.307 139 V HA -0.278 7.738 4.120 6.494 0.000 0.245 139 V C 2.608 178.685 176.094 -0.027 0.000 1.045 139 V CA 2.157 64.439 62.300 -0.030 0.000 1.024 139 V CB -0.668 31.130 31.823 -0.042 0.000 0.651 139 V HN 0.405 nan 8.190 nan 0.000 0.449 140 Q N 0.500 120.286 119.800 -0.023 0.000 2.045 140 Q HA -0.339 7.897 4.340 6.494 0.000 0.206 140 Q C 2.147 178.141 176.000 -0.009 0.000 0.991 140 Q CA 2.650 58.440 55.803 -0.021 0.000 0.851 140 Q CB -0.287 28.444 28.738 -0.012 0.000 0.911 140 Q HN 0.712 nan 8.270 nan 0.000 0.418 141 N N -0.278 118.421 118.700 -0.001 0.000 2.120 141 N HA -0.132 8.504 4.740 6.494 0.000 0.188 141 N C 1.584 177.092 175.510 -0.004 0.000 1.024 141 N CA 1.776 54.827 53.050 0.002 0.000 0.852 141 N CB -0.328 38.164 38.487 0.007 0.000 1.003 141 N HN 0.355 nan 8.380 nan 0.000 0.424 142 A N 0.171 122.985 122.820 -0.011 0.000 1.972 142 A HA -0.006 8.210 4.320 6.494 0.000 0.219 142 A C 2.053 179.628 177.584 -0.015 0.000 1.169 142 A CA 0.907 52.934 52.037 -0.016 0.000 0.635 142 A CB -0.607 18.377 19.000 -0.026 0.000 0.810 142 A HN 0.386 nan 8.150 nan 0.000 0.446 143 L N -1.122 120.092 121.223 -0.014 0.000 2.591 143 L HA 0.178 8.414 4.340 6.494 0.000 0.228 143 L C 1.540 178.411 176.870 0.001 0.000 1.133 143 L CA 0.446 55.281 54.840 -0.008 0.000 0.880 143 L CB -0.270 41.781 42.059 -0.013 0.000 1.033 143 L HN 0.561 nan 8.230 nan 0.000 0.450 144 G N 1.066 109.867 108.800 0.001 0.000 2.221 144 G HA2 -0.267 7.589 3.960 6.494 0.000 0.265 144 G HA3 -0.267 7.589 3.960 6.494 0.000 0.265 144 G C 0.032 174.938 174.900 0.009 0.000 1.041 144 G CA -0.059 45.045 45.100 0.006 0.000 0.807 144 G HN 0.241 nan 8.290 nan 0.000 0.502 145 L N -0.171 121.055 121.223 0.004 0.000 2.343 145 L HA 0.715 8.951 4.340 6.494 0.000 0.275 145 L C 1.437 178.309 176.870 0.002 0.000 1.056 145 L CA -0.430 54.411 54.840 0.002 0.000 0.804 145 L CB 1.169 43.219 42.059 -0.015 0.000 1.203 145 L HN 0.226 nan 8.230 nan 0.000 0.440 146 G N -0.107 108.696 108.800 0.004 0.000 2.509 146 G HA2 0.598 8.454 3.960 6.494 0.000 0.269 146 G HA3 0.598 8.454 3.960 6.494 0.000 0.269 146 G C 0.231 175.130 174.900 -0.003 0.000 1.416 146 G CA 0.077 45.184 45.100 0.011 0.000 1.052 146 G HN 1.007 nan 8.290 nan 0.000 0.542 147 G N -1.143 107.671 108.800 0.023 0.000 2.498 147 G HA2 0.276 8.132 3.960 6.494 0.000 0.245 147 G HA3 0.276 8.132 3.960 6.494 0.000 0.245 147 G C -0.082 174.882 174.900 0.108 0.000 1.204 147 G CA 0.559 45.677 45.100 0.030 0.000 0.933 147 G HN 1.909 nan 8.290 nan 0.000 0.574 148 F N -1.220 118.746 119.950 0.027 0.000 2.664 148 F HA 0.990 9.412 4.527 6.492 0.000 0.329 148 F C 0.051 175.893 175.800 0.071 0.000 1.090 148 F CA -0.660 57.372 58.000 0.053 0.000 0.978 148 F CB 1.593 40.629 39.000 0.060 0.000 1.378 148 F HN 1.804 nan 8.300 nan 0.000 0.495 149 A N 1.407 124.456 122.820 0.381 0.000 2.589 149 A HA 0.810 9.027 4.320 6.494 0.000 0.296 149 A C -1.827 176.003 177.584 0.410 0.000 1.062 149 A CA -0.538 51.623 52.037 0.207 0.000 0.686 149 A CB 1.165 20.206 19.000 0.068 0.000 1.282 149 A HN 1.554 nan 8.150 nan 0.000 0.404 150 F N -0.393 119.674 119.950 0.195 0.000 2.713 150 F HA 0.808 9.231 4.527 6.492 0.000 0.311 150 F C -1.108 174.757 175.800 0.109 0.000 1.141 150 F CA -0.994 57.098 58.000 0.153 0.000 0.939 150 F CB 0.678 39.786 39.000 0.179 0.000 1.325 150 F HN 0.407 nan 8.300 nan 0.000 0.453 154 V N 3.362 123.202 119.914 -0.124 0.000 2.771 154 V HA 0.659 8.675 4.120 6.494 0.000 0.355 154 V C 1.067 177.042 176.094 -0.198 0.000 1.289 154 V CA 0.854 63.009 62.300 -0.241 0.000 1.231 154 V CB -0.608 30.857 31.823 -0.597 0.000 1.396 154 V HN 1.036 nan 8.190 nan 0.000 0.628 155 A N 0.606 123.379 122.820 -0.078 0.000 5.391 155 A HA -0.377 7.840 4.320 6.494 0.000 0.315 155 A C 1.893 179.464 177.584 -0.022 0.000 1.874 155 A CA 1.937 53.969 52.037 -0.007 0.000 0.714 155 A CB -2.186 16.846 19.000 0.054 0.000 1.335 155 A HN 1.023 nan 8.150 nan 0.000 0.382 156 C N -0.334 118.976 119.300 0.017 0.000 2.409 156 C HA 0.127 8.483 4.460 6.494 0.000 0.284 156 C C 2.601 177.561 174.990 -0.049 0.000 1.354 156 C CA 1.414 60.455 59.018 0.038 0.000 1.787 156 C CB -1.424 26.295 27.740 -0.035 0.000 1.900 156 C HN 0.687 nan 8.230 nan 0.000 0.520 157 S N 0.484 116.094 115.700 -0.151 0.000 2.572 157 S HA 0.030 8.397 4.470 6.494 0.000 0.228 157 S C 1.627 176.132 174.600 -0.159 0.000 0.963 157 S CA 0.008 58.117 58.200 -0.153 0.000 0.939 157 S CB -0.046 63.018 63.200 -0.227 0.000 0.804 157 S HN 0.649 nan 8.310 nan 0.000 0.480 158 S N 2.262 117.878 115.700 -0.140 0.000 2.399 158 S HA -0.091 8.275 4.470 6.494 0.000 0.231 158 S C 2.231 176.832 174.600 0.001 0.000 1.022 158 S CA 1.075 59.223 58.200 -0.086 0.000 0.983 158 S CB -0.229 62.932 63.200 -0.066 0.000 0.803 158 S HN 0.684 nan 8.310 nan 0.000 0.480 159 A N 1.698 124.515 122.820 -0.006 0.000 1.929 159 A HA -0.074 8.142 4.320 6.494 0.000 0.216 159 A C 2.446 180.034 177.584 0.007 0.000 1.176 159 A CA 1.854 53.879 52.037 -0.020 0.000 0.628 159 A CB -1.249 17.720 19.000 -0.052 0.000 0.816 159 A HN 0.618 nan 8.150 nan 0.000 0.444 160 T N -3.230 111.365 114.554 0.068 0.000 2.857 160 T HA -0.072 8.174 4.350 6.494 0.000 0.266 160 T C 1.589 176.378 174.700 0.147 0.000 1.048 160 T CA 1.280 63.430 62.100 0.084 0.000 1.139 160 T CB -0.535 68.398 68.868 0.108 0.000 0.874 160 T HN 0.165 nan 8.240 nan 0.000 0.455 161 F N 2.487 122.408 119.950 -0.049 0.000 2.171 161 F HA 0.224 8.649 4.527 6.496 0.000 0.300 161 F C 2.774 178.529 175.800 -0.075 0.000 1.090 161 F CA 0.481 58.454 58.000 -0.044 0.000 1.293 161 F CB -1.189 37.801 39.000 -0.015 0.000 1.013 161 F HN 0.342 nan 8.300 nan 0.000 0.486 162 G N -0.106 108.756 108.800 0.103 0.000 2.402 162 G HA2 -0.175 7.681 3.960 6.494 0.000 0.216 162 G HA3 -0.175 7.681 3.960 6.494 0.000 0.216 162 G C 1.828 176.672 174.900 -0.092 0.000 1.162 162 G CA 0.625 45.706 45.100 -0.031 0.000 0.777 162 G HN 0.314 nan 8.290 nan 0.000 0.539 163 L N 0.260 121.439 121.223 -0.074 0.000 2.046 163 L HA -0.082 8.154 4.340 6.494 0.000 0.208 163 L C 2.896 179.705 176.870 -0.101 0.000 1.077 163 L CA 1.386 56.167 54.840 -0.098 0.000 0.747 163 L CB -0.325 41.672 42.059 -0.104 0.000 0.896 163 L HN 0.144 nan 8.230 nan 0.000 0.432 164 K N 0.111 120.452 120.400 -0.099 0.000 2.026 164 K HA -0.162 8.054 4.320 6.494 0.000 0.208 164 K C 1.949 178.456 176.600 -0.156 0.000 1.048 164 K CA 2.182 58.400 56.287 -0.116 0.000 0.929 164 K CB -0.373 32.031 32.500 -0.160 0.000 0.713 164 K HN 0.232 nan 8.250 nan 0.000 0.439 165 T N 1.267 115.698 114.554 -0.205 0.000 2.708 165 T HA -0.091 8.155 4.350 6.494 0.000 0.266 165 T C 1.955 176.306 174.700 -0.583 0.000 1.037 165 T CA 1.632 63.495 62.100 -0.395 0.000 1.146 165 T CB -0.379 68.275 68.868 -0.357 0.000 0.865 165 T HN 0.418 nan 8.240 nan 0.000 0.435 166 A N 1.588 124.186 122.820 -0.371 0.000 1.908 166 A HA 0.040 8.256 4.320 6.494 0.000 0.218 166 A C 2.648 180.185 177.584 -0.079 0.000 1.181 166 A CA 2.053 53.963 52.037 -0.212 0.000 0.627 166 A CB -1.177 17.743 19.000 -0.135 0.000 0.818 166 A HN 0.524 nan 8.150 nan 0.000 0.445 167 A N -0.394 122.381 122.820 -0.075 0.000 1.933 167 A HA -0.171 8.045 4.320 6.494 0.000 0.218 167 A C 1.794 179.398 177.584 0.034 0.000 1.175 167 A CA 1.810 53.844 52.037 -0.005 0.000 0.628 167 A CB -0.515 18.480 19.000 -0.009 0.000 0.814 167 A HN 0.480 nan 8.150 nan 0.000 0.444 168 D N -0.865 119.536 120.400 0.001 0.000 2.144 168 D HA -0.084 8.452 4.640 6.494 0.000 0.200 168 D C 1.611 178.065 176.300 0.256 0.000 0.978 168 D CA 0.857 54.908 54.000 0.085 0.000 0.833 168 D CB -0.294 40.536 40.800 0.049 0.000 0.961 168 D HN 0.379 nan 8.370 nan 0.000 0.470 169 F N 1.072 121.075 119.950 0.088 0.000 2.075 169 F HA -0.135 8.286 4.527 6.491 0.000 0.297 169 F C 2.597 178.452 175.800 0.091 0.000 1.113 169 F CA 0.652 58.722 58.000 0.117 0.000 1.218 169 F CB -1.389 37.702 39.000 0.152 0.000 0.984 169 F HN -0.108 nan 8.300 nan 0.000 0.472 170 V N -1.378 118.693 119.914 0.262 0.000 2.667 170 V HA 0.038 8.054 4.120 6.494 0.000 0.252 170 V C 2.281 178.455 176.094 0.134 0.000 1.065 170 V CA 1.808 64.206 62.300 0.163 0.000 1.083 170 V CB -1.562 30.331 31.823 0.116 0.000 0.692 170 V HN 0.262 nan 8.190 nan 0.000 0.468 171 G N 0.798 109.677 108.800 0.133 0.000 2.422 171 G HA2 -0.048 7.809 3.960 6.494 0.000 0.218 171 G HA3 -0.048 7.809 3.960 6.494 0.000 0.218 171 G C 1.462 176.427 174.900 0.107 0.000 1.146 171 G CA 0.708 45.871 45.100 0.106 0.000 0.769 171 G HN 0.786 nan 8.290 nan 0.000 0.547 172 G N -0.634 108.245 108.800 0.131 0.000 2.813 172 G HA2 0.360 8.216 3.960 6.494 0.000 0.209 172 G HA3 0.360 8.216 3.960 6.494 0.000 0.209 172 G C 1.322 176.278 174.900 0.093 0.000 1.150 172 G CA 0.585 45.752 45.100 0.111 0.000 0.785 172 G HN 1.390 nan 8.290 nan 0.000 0.535 173 G N 0.139 108.999 108.800 0.100 0.000 2.179 173 G HA2 -0.345 7.512 3.960 6.494 0.000 0.260 173 G HA3 -0.345 7.512 3.960 6.494 0.000 0.260 173 G C 1.651 176.597 174.900 0.076 0.000 0.977 173 G CA 1.284 46.434 45.100 0.083 0.000 0.641 173 G HN 1.320 nan 8.290 nan 0.000 0.533 174 S N -0.997 114.750 115.700 0.078 0.000 2.447 174 S HA 0.330 8.697 4.470 6.494 0.000 0.233 174 S C 1.076 175.728 174.600 0.087 0.000 1.006 174 S CA 1.651 59.889 58.200 0.064 0.000 0.957 174 S CB -0.201 63.015 63.200 0.026 0.000 0.773 174 S HN 2.057 nan 8.310 nan 0.000 0.507 175 V N -2.642 117.331 119.914 0.097 0.000 3.114 175 V HA 0.593 8.609 4.120 6.494 0.000 0.308 175 V C -0.540 175.608 176.094 0.090 0.000 1.168 175 V CA -0.870 61.480 62.300 0.083 0.000 1.015 175 V CB 1.874 33.733 31.823 0.060 0.000 1.050 175 V HN -0.043 nan 8.190 nan 0.000 0.433 176 D N 1.269 121.720 120.400 0.086 0.000 2.327 176 D HA 0.521 9.057 4.640 6.494 0.000 0.205 176 D C 0.631 177.005 176.300 0.123 0.000 0.989 176 D CA 1.608 55.672 54.000 0.107 0.000 0.873 176 D CB 1.266 42.135 40.800 0.115 0.000 0.955 176 D HN 1.079 nan 8.370 nan 0.000 0.515 177 A N 0.014 122.886 122.820 0.087 0.000 2.589 177 A HA 0.576 8.792 4.320 6.494 0.000 0.296 177 A C -1.406 176.142 177.584 -0.060 0.000 1.062 177 A CA -0.546 51.501 52.037 0.017 0.000 0.686 177 A CB 1.656 20.684 19.000 0.046 0.000 1.282 177 A HN -0.117 nan 8.150 nan 0.000 0.404 178 V N 2.058 121.900 119.914 -0.120 0.000 2.656 178 V HA 0.605 8.621 4.120 6.494 0.000 0.307 178 V C -0.329 175.639 176.094 -0.211 0.000 1.051 178 V CA -0.471 61.750 62.300 -0.132 0.000 0.893 178 V CB 1.470 33.263 31.823 -0.049 0.000 0.999 178 V HN 1.018 nan 8.190 nan 0.000 0.426 182 N N 3.342 121.994 118.700 -0.079 0.000 2.841 182 N HA 0.543 9.180 4.740 6.494 0.000 0.257 182 N C -3.068 172.407 175.510 -0.059 0.000 1.396 182 N CA -1.109 51.900 53.050 -0.070 0.000 0.823 182 N CB 2.028 40.468 38.487 -0.079 0.000 1.162 182 N HN 0.706 nan 8.380 nan 0.000 0.503 183 P HA 0.209 nan 4.420 nan 0.000 0.287 183 P C -0.866 176.418 177.300 -0.027 0.000 1.281 183 P CA -0.059 63.024 63.100 -0.028 0.000 0.781 183 P CB 1.383 33.065 31.700 -0.029 0.000 0.903 184 E N 3.767 123.954 120.200 -0.022 0.000 2.244 184 E HA 0.345 8.592 4.350 6.494 0.000 0.260 184 E C -0.317 176.266 176.600 -0.028 0.000 0.884 184 E CA -0.518 55.855 56.400 -0.046 0.000 0.777 184 E CB 1.896 31.537 29.700 -0.098 0.000 1.197 184 E HN 0.479 nan 8.360 nan 0.000 0.416 185 I N 2.737 123.304 120.570 -0.005 0.000 2.661 185 I HA 0.119 8.185 4.170 6.494 0.000 0.292 185 I C 1.014 177.110 176.117 -0.035 0.000 1.189 185 I CA -0.291 61.016 61.300 0.013 0.000 1.123 185 I CB 0.133 38.165 38.000 0.055 0.000 1.709 185 I HN 0.477 nan 8.210 nan 0.000 0.566 186 C N 0.595 119.736 119.300 -0.264 0.000 2.432 186 C HA -0.138 8.218 4.460 6.494 0.000 0.280 186 C C 2.982 177.716 174.990 -0.426 0.000 1.353 186 C CA 1.249 59.786 59.018 -0.801 0.000 1.766 186 C CB -1.004 25.850 27.740 -1.478 0.000 1.924 186 C HN 0.825 nan 8.230 nan 0.000 0.509 187 S N 1.472 117.138 115.700 -0.057 0.000 2.440 187 S HA -0.079 8.288 4.470 6.494 0.000 0.238 187 S C 1.881 176.631 174.600 0.249 0.000 1.010 187 S CA 1.596 59.926 58.200 0.217 0.000 0.972 187 S CB -0.773 62.615 63.200 0.314 0.000 0.774 187 S HN 0.620 nan 8.310 nan 0.000 0.501 188 G N 1.282 110.181 108.800 0.164 0.000 2.534 188 G HA2 -0.048 7.808 3.960 6.494 0.000 0.217 188 G HA3 -0.048 7.808 3.960 6.494 0.000 0.217 188 G C 1.002 176.073 174.900 0.286 0.000 1.128 188 G CA 0.736 45.966 45.100 0.217 0.000 0.784 188 G HN 0.980 nan 8.290 nan 0.000 0.542 189 H N -2.680 116.459 119.070 0.115 0.000 2.767 189 H HA 0.559 9.011 4.556 6.494 0.000 0.260 189 H C 0.084 175.539 175.328 0.212 0.000 1.172 189 H CA -0.968 55.175 56.048 0.157 0.000 1.048 189 H CB 0.261 30.115 29.762 0.153 0.000 1.697 189 H HN 0.144 nan 8.280 nan 0.000 0.606 190 L N 1.845 123.108 121.223 0.068 0.000 2.357 190 L HA 0.303 8.540 4.340 6.494 0.000 0.273 190 L C -0.077 176.706 176.870 -0.145 0.000 1.080 190 L CA -0.579 54.157 54.840 -0.174 0.000 0.803 190 L CB 1.235 42.931 42.059 -0.605 0.000 1.174 190 L HN 0.312 nan 8.230 nan 0.000 0.443 191 N N 3.132 121.755 118.700 -0.127 0.000 2.521 191 N HA 0.072 8.708 4.740 6.494 0.000 0.236 191 N C 0.322 175.791 175.510 -0.069 0.000 1.067 191 N CA 0.078 53.112 53.050 -0.027 0.000 0.939 191 N CB 0.021 38.528 38.487 0.033 0.000 1.201 191 N HN 0.518 nan 8.380 nan 0.000 0.511 192 F N 1.595 121.587 119.950 0.069 0.000 2.641 192 F HA 0.074 8.498 4.527 6.494 0.000 0.298 192 F C 1.910 177.799 175.800 0.148 0.000 1.146 192 F CA 0.582 58.658 58.000 0.126 0.000 1.464 192 F CB 0.288 39.345 39.000 0.095 0.000 1.101 192 F HN 0.384 nan 8.300 nan 0.000 0.585 193 R N -0.573 120.009 120.500 0.137 0.000 2.300 193 R HA 0.015 8.251 4.340 6.494 0.000 0.199 193 R C -0.075 176.375 176.300 0.251 0.000 0.920 193 R CA 0.111 56.197 56.100 -0.023 0.000 1.046 193 R CB -0.169 29.936 30.300 -0.326 0.000 0.984 193 R HN 0.087 nan 8.270 nan 0.000 0.493 194 D N 0.758 121.296 120.400 0.230 0.000 2.347 194 D HA 0.044 8.580 4.640 6.494 0.000 0.235 194 D C 1.017 177.452 176.300 0.226 0.000 1.149 194 D CA -0.196 53.920 54.000 0.193 0.000 0.850 194 D CB 0.963 41.818 40.800 0.092 0.000 1.061 194 D HN -0.132 nan 8.370 nan 0.000 0.487 195 R N 2.757 123.409 120.500 0.254 0.000 2.127 195 R HA -0.128 8.109 4.340 6.494 0.000 0.238 195 R C 0.385 176.924 176.300 0.398 0.000 1.134 195 R CA 1.285 57.476 56.100 0.150 0.000 0.975 195 R CB 0.199 30.588 30.300 0.147 0.000 0.865 195 R HN 0.499 nan 8.270 nan 0.000 0.447 196 D N -0.973 119.607 120.400 0.299 0.000 2.355 196 D HA -0.027 8.510 4.640 6.494 0.000 0.218 196 D C 0.990 177.326 176.300 0.059 0.000 1.004 196 D CA 1.011 55.226 54.000 0.358 0.000 0.880 196 D CB 0.676 41.620 40.800 0.239 0.000 0.911 196 D HN 0.343 nan 8.370 nan 0.000 0.528 197 S N -1.583 114.043 115.700 -0.124 0.000 2.787 197 S HA -0.022 8.344 4.470 6.494 0.000 0.255 197 S C 1.451 175.650 174.600 -0.668 0.000 1.051 197 S CA -0.399 57.494 58.200 -0.511 0.000 1.124 197 S CB -0.546 62.545 63.200 -0.181 0.000 1.104 197 S HN 0.379 nan 8.310 nan 0.000 0.623 198 H N 1.537 120.343 119.070 -0.441 0.000 2.489 198 H HA 0.082 8.534 4.556 6.494 0.000 0.293 198 H C 1.484 176.656 175.328 -0.261 0.000 1.066 198 H CA 1.564 57.429 56.048 -0.305 0.000 1.305 198 H CB -0.609 29.141 29.762 -0.021 0.000 1.386 198 H HN 0.642 nan 8.280 nan 0.000 0.551 199 F N -0.854 118.716 119.950 -0.633 0.000 2.765 199 F HA 0.345 8.768 4.527 6.494 0.000 0.302 199 F C 1.552 177.163 175.800 -0.314 0.000 1.111 199 F CA -0.464 57.229 58.000 -0.511 0.000 1.359 199 F CB -0.290 38.372 39.000 -0.563 0.000 1.097 199 F HN 0.115 nan 8.300 nan 0.000 0.577 200 I N -0.575 119.521 120.570 -0.790 0.000 2.277 200 I HA -0.083 7.984 4.170 6.494 0.000 0.243 200 I C 0.403 176.343 176.117 -0.294 0.000 1.094 200 I CA 0.618 61.559 61.300 -0.599 0.000 1.393 200 I CB -0.141 37.313 38.000 -0.910 0.000 1.078 200 I HN -0.056 nan 8.210 nan 0.000 0.417 201 F N 0.956 120.629 119.950 -0.462 0.000 2.399 201 F HA 0.577 9.000 4.527 6.494 0.000 0.334 201 F C 0.746 176.439 175.800 -0.178 0.000 1.097 201 F CA -1.298 56.473 58.000 -0.381 0.000 1.076 201 F CB 1.073 39.746 39.000 -0.546 0.000 1.162 201 F HN -0.168 nan 8.300 nan 0.000 0.495 202 G N 1.517 110.360 108.800 0.072 0.000 2.949 202 G HA2 0.567 8.424 3.960 6.494 0.000 0.285 202 G HA3 0.567 8.424 3.960 6.494 0.000 0.285 202 G C -1.802 173.113 174.900 0.025 0.000 1.395 202 G CA -0.717 44.427 45.100 0.072 0.000 0.901 202 G HN 0.366 nan 8.290 nan 0.000 0.519 203 D N -0.952 119.506 120.400 0.096 0.000 2.457 203 D HA 0.730 9.266 4.640 6.494 0.000 0.240 203 D C -0.683 175.689 176.300 0.120 0.000 1.041 203 D CA -0.295 53.750 54.000 0.075 0.000 0.861 203 D CB 2.499 43.353 40.800 0.090 0.000 1.394 203 D HN 0.410 nan 8.370 nan 0.000 0.473 204 V N -0.552 119.408 119.914 0.076 0.000 3.298 204 V HA 0.703 8.720 4.120 6.494 0.000 0.276 204 V C -1.841 174.289 176.094 0.059 0.000 1.699 204 V CA -0.607 61.729 62.300 0.060 0.000 1.039 204 V CB 2.028 33.875 31.823 0.040 0.000 1.243 204 V HN 0.798 nan 8.190 nan 0.000 0.472 205 A N 1.629 124.492 122.820 0.072 0.000 2.449 205 A HA 0.977 9.193 4.320 6.494 0.000 0.302 205 A C -0.399 177.151 177.584 -0.057 0.000 1.048 205 A CA 0.092 52.142 52.037 0.020 0.000 0.708 205 A CB 1.966 21.000 19.000 0.057 0.000 1.274 205 A HN 1.578 nan 8.150 nan 0.000 0.410 206 T N -0.994 113.499 114.554 -0.102 0.000 2.940 206 T HA 0.924 9.170 4.350 6.494 0.000 0.288 206 T C -0.155 174.469 174.700 -0.126 0.000 1.045 206 T CA -0.187 61.821 62.100 -0.154 0.000 1.018 206 T CB 1.853 70.617 68.868 -0.173 0.000 1.151 206 T HN 2.115 nan 8.240 nan 0.000 0.529 207 A N 0.044 122.779 122.820 -0.141 0.000 2.572 207 A HA 0.967 9.183 4.320 6.494 0.000 0.295 207 A C -0.948 176.574 177.584 -0.103 0.000 1.072 207 A CA -0.713 51.254 52.037 -0.116 0.000 0.691 207 A CB 1.379 20.316 19.000 -0.105 0.000 1.291 207 A HN 1.760 nan 8.150 nan 0.000 0.404 208 A N 0.616 123.370 122.820 -0.111 0.000 2.549 208 A HA 0.781 8.997 4.320 6.494 0.000 0.297 208 A C -1.314 176.167 177.584 -0.173 0.000 1.061 208 A CA -0.342 51.633 52.037 -0.104 0.000 0.690 208 A CB 0.937 19.887 19.000 -0.085 0.000 1.287 208 A HN 0.833 nan 8.150 nan 0.000 0.402 209 I N 1.590 122.023 120.570 -0.228 0.000 2.406 209 I HA 0.470 8.536 4.170 6.494 0.000 0.290 209 I C -0.809 175.128 176.117 -0.299 0.000 0.999 209 I CA -0.898 60.163 61.300 -0.399 0.000 1.124 209 I CB 1.963 39.487 38.000 -0.792 0.000 1.289 209 I HN 0.330 nan 8.210 nan 0.000 0.441 210 V N 6.378 126.149 119.914 -0.239 0.000 2.459 210 V HA 0.467 8.483 4.120 6.494 0.000 0.295 210 V C -0.167 175.875 176.094 -0.088 0.000 1.029 210 V CA -0.420 61.809 62.300 -0.119 0.000 0.874 210 V CB 1.660 33.436 31.823 -0.079 0.000 0.985 210 V HN 0.882 nan 8.190 nan 0.000 0.438 211 E N 4.740 124.939 120.200 -0.002 0.000 2.446 211 E HA 0.582 8.828 4.350 6.494 0.000 0.276 211 E C -0.799 175.860 176.600 0.097 0.000 0.969 211 E CA -1.331 55.113 56.400 0.074 0.000 0.800 211 E CB 1.695 31.504 29.700 0.182 0.000 1.341 211 E HN 0.614 nan 8.360 nan 0.000 0.460 212 R N 0.693 121.260 120.500 0.110 0.000 2.538 212 R HA 0.234 8.471 4.340 6.494 0.000 0.282 212 R C 0.659 177.017 176.300 0.098 0.000 1.009 212 R CA 0.462 56.621 56.100 0.098 0.000 1.063 212 R CB 0.383 30.739 30.300 0.094 0.000 0.945 212 R HN 0.653 nan 8.270 nan 0.000 0.414 213 A N 3.357 126.227 122.820 0.083 0.000 1.940 213 A HA -0.244 7.973 4.320 6.494 0.000 0.219 213 A C 1.639 179.263 177.584 0.066 0.000 1.176 213 A CA 1.665 53.748 52.037 0.076 0.000 0.631 213 A CB -0.526 18.514 19.000 0.066 0.000 0.814 213 A HN 0.977 nan 8.150 nan 0.000 0.446 214 D N -0.521 119.916 120.400 0.062 0.000 2.350 214 D HA -0.119 8.417 4.640 6.494 0.000 0.216 214 D C 0.341 176.671 176.300 0.051 0.000 0.968 214 D CA 1.258 55.289 54.000 0.050 0.000 0.894 214 D CB -0.349 40.479 40.800 0.047 0.000 0.909 214 D HN 0.390 nan 8.370 nan 0.000 0.520 215 D N -0.175 120.266 120.400 0.067 0.000 2.469 215 D HA 0.258 8.794 4.640 6.494 0.000 0.213 215 D C 0.177 176.525 176.300 0.079 0.000 1.135 215 D CA -0.154 53.885 54.000 0.065 0.000 0.834 215 D CB 0.828 41.673 40.800 0.076 0.000 1.009 215 D HN 0.253 nan 8.370 nan 0.000 0.507 216 A N 0.724 123.599 122.820 0.092 0.000 2.327 216 A HA 0.449 8.666 4.320 6.494 0.000 0.283 216 A C -0.089 177.538 177.584 0.071 0.000 1.127 216 A CA -0.243 51.863 52.037 0.114 0.000 0.810 216 A CB 0.653 19.728 19.000 0.126 0.000 1.066 216 A HN -0.130 nan 8.150 nan 0.000 0.492 217 Q N 1.190 121.032 119.800 0.071 0.000 2.368 217 Q HA 0.541 8.777 4.340 6.494 0.000 0.263 217 Q C 0.794 176.816 176.000 0.036 0.000 1.009 217 Q CA 0.879 56.702 55.803 0.034 0.000 0.818 217 Q CB 1.506 30.251 28.738 0.011 0.000 1.239 217 Q HN 1.687 nan 8.270 nan 0.000 0.464 218 G N 2.032 110.834 108.800 0.003 0.000 2.552 218 G HA2 0.051 7.907 3.960 6.494 0.000 0.265 218 G HA3 0.051 7.907 3.960 6.494 0.000 0.265 218 G C 0.476 175.363 174.900 -0.022 0.000 1.234 218 G CA -0.279 44.799 45.100 -0.037 0.000 0.944 218 G HN 1.499 nan 8.290 nan 0.000 0.568 219 G N -2.377 106.388 108.800 -0.058 0.000 2.593 219 G HA2 0.108 7.964 3.960 6.494 0.000 0.237 219 G HA3 0.108 7.964 3.960 6.494 0.000 0.237 219 G C -0.332 174.455 174.900 -0.188 0.000 1.312 219 G CA 0.742 45.853 45.100 0.018 0.000 0.896 219 G HN 1.893 nan 8.290 nan 0.000 0.574 220 W N 0.620 121.996 121.300 0.126 0.000 2.619 220 W HA 0.645 9.201 4.660 6.492 0.000 0.327 220 W C 0.243 176.822 176.519 0.099 0.000 1.027 220 W CA -0.351 57.080 57.345 0.143 0.000 1.233 220 W CB 2.085 31.679 29.460 0.223 0.000 1.370 220 W HN 0.615 nan 8.180 nan 0.000 0.453 221 S N 3.458 119.310 115.700 0.254 0.000 2.549 221 S HA 0.266 8.633 4.470 6.494 0.000 0.283 221 S C 0.072 174.795 174.600 0.204 0.000 1.320 221 S CA -0.340 57.971 58.200 0.184 0.000 1.058 221 S CB 0.292 63.571 63.200 0.131 0.000 0.882 221 S HN 0.295 nan 8.310 nan 0.000 0.498 222 I N 4.362 125.019 120.570 0.145 0.000 2.294 222 I HA 0.073 8.139 4.170 6.494 0.000 0.295 222 I C 1.014 177.204 176.117 0.121 0.000 1.098 222 I CA -0.083 61.290 61.300 0.121 0.000 1.277 222 I CB 0.276 38.320 38.000 0.074 0.000 1.434 222 I HN 0.663 nan 8.210 nan 0.000 0.498 223 L N 5.817 127.129 121.223 0.148 0.000 2.217 223 L HA 0.184 8.420 4.340 6.494 0.000 0.211 223 L C 1.075 178.009 176.870 0.106 0.000 1.107 223 L CA 0.291 55.199 54.840 0.113 0.000 0.783 223 L CB -0.378 41.746 42.059 0.108 0.000 0.919 223 L HN 0.765 nan 8.230 nan 0.000 0.442 224 G N -0.811 108.092 108.800 0.172 0.000 2.442 224 G HA2 0.415 8.271 3.960 6.494 0.000 0.296 224 G HA3 0.415 8.271 3.960 6.494 0.000 0.296 224 G C -1.161 173.958 174.900 0.364 0.000 1.564 224 G CA -0.195 45.045 45.100 0.235 0.000 0.828 224 G HN -0.092 nan 8.290 nan 0.000 0.571 225 T N -1.880 112.847 114.554 0.289 0.000 2.906 225 T HA 0.824 9.070 4.350 6.494 0.000 0.295 225 T C -0.725 173.896 174.700 -0.131 0.000 1.061 225 T CA -0.962 61.230 62.100 0.154 0.000 1.000 225 T CB 2.620 71.488 68.868 -0.000 0.000 1.103 225 T HN 0.851 nan 8.240 nan 0.000 0.486 226 K N 2.002 122.215 120.400 -0.312 0.000 2.535 226 K HA 0.672 8.889 4.320 6.494 0.000 0.250 226 K C -1.812 174.612 176.600 -0.294 0.000 0.948 226 K CA -0.801 55.213 56.287 -0.456 0.000 0.796 226 K CB 1.388 33.384 32.500 -0.840 0.000 1.216 226 K HN 0.727 nan 8.250 nan 0.000 0.432 227 L N 3.474 124.501 121.223 -0.327 0.000 2.346 227 L HA 0.634 8.870 4.340 6.494 0.000 0.274 227 L C -0.674 176.084 176.870 -0.186 0.000 1.007 227 L CA -0.990 53.587 54.840 -0.438 0.000 0.818 227 L CB 2.038 43.498 42.059 -0.999 0.000 1.284 227 L HN 0.651 nan 8.230 nan 0.000 0.424 228 K N 1.453 121.870 120.400 0.028 0.000 2.498 228 K HA 0.678 8.895 4.320 6.494 0.000 0.254 228 K C -1.215 175.546 176.600 0.269 0.000 0.933 228 K CA -0.390 55.967 56.287 0.116 0.000 0.806 228 K CB 2.418 34.964 32.500 0.077 0.000 1.301 228 K HN 0.739 nan 8.250 nan 0.000 0.432 229 T N 0.010 114.701 114.554 0.229 0.000 2.900 229 T HA 0.412 8.658 4.350 6.494 0.000 0.295 229 T C -1.109 173.702 174.700 0.186 0.000 1.044 229 T CA -0.791 61.448 62.100 0.231 0.000 0.995 229 T CB 1.720 70.732 68.868 0.241 0.000 1.072 229 T HN 0.549 nan 8.240 nan 0.000 0.473 230 Q N 2.222 122.143 119.800 0.201 0.000 2.406 230 Q HA 0.343 8.579 4.340 6.494 0.000 0.244 230 Q C -1.624 174.462 176.000 0.144 0.000 0.884 230 Q CA -0.773 55.140 55.803 0.185 0.000 0.813 230 Q CB 1.325 30.183 28.738 0.200 0.000 1.368 230 Q HN 0.753 nan 8.270 nan 0.000 0.439 231 F N 2.614 122.553 119.950 -0.018 0.000 2.623 231 F HA 0.227 8.650 4.527 6.493 0.000 0.383 231 F C -0.355 175.312 175.800 -0.222 0.000 1.077 231 F CA 1.210 59.155 58.000 -0.092 0.000 1.268 231 F CB 0.920 39.886 39.000 -0.058 0.000 1.053 231 F HN 0.402 nan 8.300 nan 0.000 0.571 232 S N 4.620 119.674 115.700 -1.078 0.000 2.536 232 S HA 0.346 8.712 4.470 6.494 0.000 0.271 232 S C -0.090 173.863 174.600 -1.078 0.000 1.134 232 S CA -0.940 56.605 58.200 -1.093 0.000 0.897 232 S CB 1.044 63.289 63.200 -1.591 0.000 1.094 232 S HN 0.670 nan 8.310 nan 0.000 0.473 233 N N 2.889 121.140 118.700 -0.749 0.000 2.314 233 N HA 0.125 8.762 4.740 6.494 0.000 0.200 233 N C 0.504 175.820 175.510 -0.323 0.000 1.135 233 N CA 0.037 52.804 53.050 -0.471 0.000 0.835 233 N CB -0.095 38.224 38.487 -0.279 0.000 0.989 233 N HN 0.498 nan 8.380 nan 0.000 0.478 234 N N 0.379 118.873 118.700 -0.343 0.000 2.512 234 N HA 0.056 8.693 4.740 6.494 0.000 0.183 234 N C -0.065 175.343 175.510 -0.170 0.000 1.073 234 N CA 0.537 53.478 53.050 -0.182 0.000 0.911 234 N CB 0.841 39.294 38.487 -0.056 0.000 0.964 234 N HN 0.326 nan 8.380 nan 0.000 0.447 235 I N 0.282 120.727 120.570 -0.209 0.000 2.500 235 I HA 0.354 8.421 4.170 6.494 0.000 0.286 235 I C -0.267 175.720 176.117 -0.217 0.000 1.063 235 I CA -0.662 60.485 61.300 -0.255 0.000 1.062 235 I CB 2.113 40.053 38.000 -0.101 0.000 1.223 235 I HN -0.218 nan 8.210 nan 0.000 0.435 236 R N 4.338 124.694 120.500 -0.241 0.000 2.663 236 R HA 0.518 8.754 4.340 6.494 0.000 0.267 236 R C -1.900 174.363 176.300 -0.061 0.000 1.038 236 R CA -0.668 55.361 56.100 -0.118 0.000 0.886 236 R CB 1.872 32.100 30.300 -0.120 0.000 1.249 236 R HN 0.625 nan 8.270 nan 0.000 0.463 237 N N 2.238 120.955 118.700 0.028 0.000 2.519 237 N HA 0.208 8.845 4.740 6.494 0.000 0.291 237 N C -1.237 174.313 175.510 0.066 0.000 1.107 237 N CA -0.487 52.610 53.050 0.079 0.000 0.904 237 N CB 1.544 40.136 38.487 0.174 0.000 1.500 237 N HN 0.655 nan 8.380 nan 0.000 0.510 238 N N 0.968 119.701 118.700 0.055 0.000 2.398 238 N HA 0.115 8.751 4.740 6.494 0.000 0.188 238 N C 0.071 175.614 175.510 0.055 0.000 1.122 238 N CA 0.017 53.097 53.050 0.050 0.000 0.866 238 N CB 0.316 38.827 38.487 0.040 0.000 0.970 238 N HN 0.623 nan 8.380 nan 0.000 0.462 239 A N 0.187 123.047 122.820 0.066 0.000 2.477 239 A HA 0.590 8.807 4.320 6.494 0.000 0.246 239 A C 0.948 178.573 177.584 0.069 0.000 1.078 239 A CA 0.561 52.638 52.037 0.065 0.000 0.770 239 A CB 0.119 19.161 19.000 0.071 0.000 1.011 239 A HN 0.287 nan 8.150 nan 0.000 0.494 240 G N -0.062 108.782 108.800 0.073 0.000 2.321 240 G HA2 0.385 8.241 3.960 6.494 0.000 0.296 240 G HA3 0.385 8.241 3.960 6.494 0.000 0.296 240 G C 0.173 175.151 174.900 0.129 0.000 1.287 240 G CA -0.049 45.127 45.100 0.127 0.000 0.846 240 G HN 1.352 nan 8.290 nan 0.000 0.508 241 F N -0.415 119.556 119.950 0.034 0.000 2.365 241 F HA 0.250 8.673 4.527 6.494 0.000 0.300 241 F C 1.780 177.610 175.800 0.050 0.000 1.090 241 F CA 0.925 58.947 58.000 0.037 0.000 1.408 241 F CB -0.163 38.863 39.000 0.042 0.000 1.060 241 F HN 0.141 nan 8.300 nan 0.000 0.534 242 L N 0.908 121.742 121.223 -0.649 0.000 2.599 242 L HA 0.031 8.267 4.340 6.494 0.000 0.230 242 L C 1.513 178.300 176.870 -0.139 0.000 1.141 242 L CA 0.423 54.975 54.840 -0.480 0.000 0.877 242 L CB -0.943 40.761 42.059 -0.592 0.000 1.009 242 L HN 0.303 nan 8.230 nan 0.000 0.447 243 N N 1.045 119.711 118.700 -0.057 0.000 2.289 243 N HA -0.215 8.421 4.740 6.494 0.000 0.184 243 N C 1.764 177.301 175.510 0.046 0.000 1.016 243 N CA 0.924 53.992 53.050 0.031 0.000 0.872 243 N CB -0.056 38.457 38.487 0.042 0.000 0.973 243 N HN 0.395 nan 8.380 nan 0.000 0.433 244 R N 1.170 121.688 120.500 0.032 0.000 2.237 244 R HA 0.082 8.319 4.340 6.494 0.000 0.219 244 R C 1.529 177.858 176.300 0.047 0.000 1.080 244 R CA 1.257 57.378 56.100 0.035 0.000 0.995 244 R CB -0.369 29.958 30.300 0.045 0.000 0.875 244 R HN 0.043 nan 8.270 nan 0.000 0.462 245 A N -0.698 122.162 122.820 0.066 0.000 2.251 245 A HA 0.080 8.296 4.320 6.494 0.000 0.209 245 A C 0.201 177.954 177.584 0.282 0.000 1.187 245 A CA 0.078 52.185 52.037 0.117 0.000 0.823 245 A CB -0.510 18.530 19.000 0.067 0.000 0.846 245 A HN 0.557 nan 8.150 nan 0.000 0.486 246 W N 0.650 121.930 121.300 -0.033 0.000 1.851 246 W HA 0.276 8.832 4.660 6.494 0.000 0.303 246 W C -2.762 173.749 176.519 -0.013 0.000 0.969 246 W CA -1.364 55.967 57.345 -0.023 0.000 1.537 246 W CB 1.350 30.793 29.460 -0.029 0.000 1.682 246 W HN 0.142 nan 8.180 nan 0.000 0.367 247 P HA -0.229 nan 4.420 nan 0.000 0.219 247 P C 1.360 178.484 177.300 -0.293 0.000 1.146 247 P CA 1.617 64.586 63.100 -0.217 0.000 0.808 247 P CB 0.071 31.662 31.700 -0.183 0.000 0.779 248 E N 0.063 119.913 120.200 -0.583 0.000 2.171 248 E HA -0.146 8.100 4.350 6.494 0.000 0.197 248 E C 1.846 178.351 176.600 -0.159 0.000 0.997 248 E CA 1.368 57.521 56.400 -0.411 0.000 0.810 248 E CB -0.777 28.582 29.700 -0.567 0.000 0.738 248 E HN 0.219 nan 8.360 nan 0.000 0.467 249 G N 0.642 109.401 108.800 -0.067 0.000 2.985 249 G HA2 -0.134 7.723 3.960 6.494 0.000 0.209 249 G HA3 -0.134 7.723 3.960 6.494 0.000 0.209 249 G C 1.387 176.323 174.900 0.060 0.000 1.165 249 G CA 0.198 45.357 45.100 0.098 0.000 0.776 249 G HN 0.275 nan 8.290 nan 0.000 0.541 250 R N -0.268 120.242 120.500 0.016 0.000 2.189 250 R HA 0.068 8.304 4.340 6.494 0.000 0.218 250 R C 0.394 176.716 176.300 0.036 0.000 1.074 250 R CA 1.402 57.519 56.100 0.028 0.000 0.991 250 R CB 0.033 30.338 30.300 0.008 0.000 0.883 250 R HN 0.030 nan 8.270 nan 0.000 0.457 251 D N 0.506 120.925 120.400 0.032 0.000 2.501 251 D HA 0.137 8.673 4.640 6.494 0.000 0.224 251 D C -0.454 175.875 176.300 0.049 0.000 1.202 251 D CA -0.069 53.956 54.000 0.041 0.000 0.829 251 D CB 0.514 41.334 40.800 0.033 0.000 1.023 251 D HN 0.200 nan 8.370 nan 0.000 0.499 252 K N 0.385 120.817 120.400 0.053 0.000 2.276 252 K HA 0.320 8.536 4.320 6.494 0.000 0.259 252 K C 1.182 177.818 176.600 0.059 0.000 1.001 252 K CA -0.186 56.136 56.287 0.058 0.000 0.927 252 K CB 1.152 33.691 32.500 0.064 0.000 0.969 252 K HN -0.134 nan 8.250 nan 0.000 0.490 253 A N 1.951 124.804 122.820 0.055 0.000 2.070 253 A HA -0.173 8.044 4.320 6.494 0.000 0.220 253 A C 1.474 179.088 177.584 0.050 0.000 1.159 253 A CA 1.939 54.008 52.037 0.053 0.000 0.656 253 A CB -0.465 18.563 19.000 0.045 0.000 0.800 253 A HN 0.882 nan 8.150 nan 0.000 0.453 254 D N -0.683 119.744 120.400 0.045 0.000 2.378 254 D HA -0.082 8.454 4.640 6.494 0.000 0.227 254 D C 0.810 177.143 176.300 0.054 0.000 1.012 254 D CA 0.611 54.632 54.000 0.036 0.000 0.905 254 D CB -0.148 40.668 40.800 0.027 0.000 0.895 254 D HN 0.172 nan 8.370 nan 0.000 0.532 255 K N 0.121 120.562 120.400 0.069 0.000 2.437 255 K HA 0.303 8.519 4.320 6.494 0.000 0.198 255 K C 0.414 177.080 176.600 0.111 0.000 1.024 255 K CA -0.111 56.225 56.287 0.082 0.000 1.148 255 K CB 0.698 33.244 32.500 0.075 0.000 0.860 255 K HN 0.311 nan 8.250 nan 0.000 0.515 256 L N -1.087 120.210 121.223 0.123 0.000 2.230 256 L HA 0.438 8.674 4.340 6.494 0.000 0.255 256 L C -0.086 176.911 176.870 0.213 0.000 1.039 256 L CA -1.547 53.405 54.840 0.186 0.000 0.846 256 L CB 0.764 42.917 42.059 0.157 0.000 1.419 256 L HN -0.144 nan 8.230 nan 0.000 0.435 257 F N 1.605 121.612 119.950 0.096 0.000 2.602 257 F HA 0.240 8.663 4.527 6.493 0.000 0.385 257 F C -0.418 175.353 175.800 -0.048 0.000 1.063 257 F CA 0.108 58.130 58.000 0.037 0.000 1.233 257 F CB 0.425 39.388 39.000 -0.062 0.000 1.067 257 F HN -0.068 nan 8.300 nan 0.000 0.564 258 V N 7.150 126.816 119.914 -0.413 0.000 2.483 258 V HA 0.327 8.343 4.120 6.494 0.000 0.297 258 V C -0.573 175.140 176.094 -0.634 0.000 1.027 258 V CA -0.710 61.360 62.300 -0.383 0.000 0.855 258 V CB 1.432 33.149 31.823 -0.178 0.000 0.995 258 V HN 0.786 nan 8.190 nan 0.000 0.424 259 Q N 3.419 122.876 119.800 -0.573 0.000 2.356 259 Q HA 0.484 8.720 4.340 6.494 0.000 0.270 259 Q C -1.022 174.870 176.000 -0.180 0.000 1.058 259 Q CA -0.680 54.850 55.803 -0.454 0.000 0.802 259 Q CB 2.237 30.682 28.738 -0.489 0.000 1.303 259 Q HN 0.727 nan 8.270 nan 0.000 0.444 260 Q N 2.771 122.506 119.800 -0.110 0.000 2.571 260 Q HA 0.213 8.450 4.340 6.494 0.000 0.222 260 Q C 0.768 176.783 176.000 0.024 0.000 1.167 260 Q CA -0.091 55.693 55.803 -0.031 0.000 0.966 260 Q CB 1.138 29.859 28.738 -0.028 0.000 1.274 260 Q HN 0.992 nan 8.270 nan 0.000 0.552 261 G N 1.765 110.593 108.800 0.046 0.000 2.422 261 G HA2 -0.264 7.592 3.960 6.494 0.000 0.218 261 G HA3 -0.264 7.592 3.960 6.494 0.000 0.218 261 G C 1.389 176.377 174.900 0.146 0.000 1.140 261 G CA 0.359 45.520 45.100 0.103 0.000 0.775 261 G HN 0.437 nan 8.290 nan 0.000 0.545 262 R N 0.444 121.005 120.500 0.101 0.000 2.090 262 R HA 0.062 8.298 4.340 6.494 0.000 0.228 262 R C 2.458 178.826 176.300 0.114 0.000 1.110 262 R CA 1.296 57.447 56.100 0.084 0.000 0.973 262 R CB -0.182 30.130 30.300 0.021 0.000 0.869 262 R HN 0.251 nan 8.270 nan 0.000 0.440 263 K N -0.305 120.152 120.400 0.097 0.000 2.057 263 K HA -0.107 8.110 4.320 6.494 0.000 0.207 263 K C 1.962 178.654 176.600 0.154 0.000 1.049 263 K CA 1.624 57.977 56.287 0.110 0.000 0.931 263 K CB -0.088 32.464 32.500 0.088 0.000 0.714 263 K HN 0.028 nan 8.250 nan 0.000 0.440 264 V N 1.152 121.164 119.914 0.164 0.000 2.287 264 V HA -0.263 7.753 4.120 6.494 0.000 0.248 264 V C 1.952 178.093 176.094 0.078 0.000 1.053 264 V CA 1.791 64.169 62.300 0.129 0.000 1.027 264 V CB -0.503 31.402 31.823 0.137 0.000 0.646 264 V HN 0.244 nan 8.190 nan 0.000 0.447 265 F N 0.792 120.744 119.950 0.003 0.000 2.069 265 F HA -0.211 8.213 4.527 6.494 0.000 0.298 265 F C 2.564 178.342 175.800 -0.037 0.000 1.113 265 F CA 1.746 59.741 58.000 -0.009 0.000 1.214 265 F CB -0.040 38.969 39.000 0.015 0.000 0.978 265 F HN -0.021 nan 8.300 nan 0.000 0.474 266 K N 0.297 120.890 120.400 0.321 0.000 2.148 266 K HA -0.134 8.083 4.320 6.494 0.000 0.204 266 K C 1.817 178.463 176.600 0.078 0.000 1.050 266 K CA 1.547 57.951 56.287 0.194 0.000 0.942 266 K CB -0.317 32.254 32.500 0.117 0.000 0.724 266 K HN 0.498 nan 8.250 nan 0.000 0.446 267 E N 0.076 120.296 120.200 0.032 0.000 2.127 267 E HA -0.030 8.216 4.350 6.494 0.000 0.191 267 E C 2.006 178.495 176.600 -0.185 0.000 0.964 267 E CA 0.329 56.712 56.400 -0.028 0.000 0.832 267 E CB 0.244 29.989 29.700 0.075 0.000 0.790 267 E HN -0.078 nan 8.360 nan 0.000 0.465 268 V N 1.067 120.788 119.914 -0.321 0.000 2.591 268 V HA -0.162 7.854 4.120 6.494 0.000 0.249 268 V C 2.271 178.133 176.094 -0.386 0.000 1.053 268 V CA 0.869 62.901 62.300 -0.447 0.000 1.068 268 V CB -0.039 31.482 31.823 -0.503 0.000 0.689 268 V HN 0.099 nan 8.190 nan 0.000 0.462 269 V N 1.311 121.030 119.914 -0.325 0.000 2.255 269 V HA -0.170 7.846 4.120 6.494 0.000 0.247 269 V C 0.290 176.242 176.094 -0.236 0.000 1.051 269 V CA 2.833 64.935 62.300 -0.329 0.000 1.018 269 V CB -1.721 29.949 31.823 -0.256 0.000 0.641 269 V HN 0.532 nan 8.190 nan 0.000 0.445 270 P HA -0.124 nan 4.420 nan 0.000 0.220 270 P C 2.040 179.277 177.300 -0.106 0.000 1.152 270 P CA 1.275 64.317 63.100 -0.097 0.000 0.812 270 P CB 0.010 31.682 31.700 -0.046 0.000 0.792 271 L N -0.103 121.043 121.223 -0.129 0.000 2.013 271 L HA -0.168 8.068 4.340 6.494 0.000 0.212 271 L C 2.350 179.142 176.870 -0.131 0.000 1.073 271 L CA 1.826 56.601 54.840 -0.109 0.000 0.753 271 L CB -0.685 41.299 42.059 -0.125 0.000 0.890 271 L HN -0.196 nan 8.230 nan 0.000 0.432 272 V N -0.217 119.554 119.914 -0.237 0.000 2.323 272 V HA -0.229 7.787 4.120 6.494 0.000 0.244 272 V C 2.758 178.748 176.094 -0.173 0.000 1.041 272 V CA 1.676 63.816 62.300 -0.268 0.000 1.025 272 V CB -0.389 31.054 31.823 -0.634 0.000 0.656 272 V HN 0.746 nan 8.190 nan 0.000 0.451 273 S N -0.336 115.261 115.700 -0.173 0.000 2.368 273 S HA -0.149 8.217 4.470 6.494 0.000 0.225 273 S C 0.967 175.550 174.600 -0.028 0.000 1.030 273 S CA 0.697 58.844 58.200 -0.088 0.000 0.999 273 S CB -0.414 62.739 63.200 -0.080 0.000 0.844 273 S HN 0.720 nan 8.310 nan 0.000 0.459 277 I N 1.983 122.633 120.570 0.134 0.000 2.226 277 I HA -0.260 7.806 4.170 6.494 0.000 0.245 277 I C 2.453 178.607 176.117 0.062 0.000 1.100 277 I CA 2.132 63.482 61.300 0.085 0.000 1.374 277 I CB -0.114 37.915 38.000 0.049 0.000 1.057 277 I HN 0.342 nan 8.210 nan 0.000 0.413 278 E N 0.392 120.639 120.200 0.078 0.000 2.072 278 E HA -0.300 7.946 4.350 6.494 0.000 0.191 278 E C 2.240 178.906 176.600 0.111 0.000 0.985 278 E CA 1.280 57.720 56.400 0.067 0.000 0.801 278 E CB -0.175 29.561 29.700 0.060 0.000 0.750 278 E HN 0.582 nan 8.360 nan 0.000 0.452 279 H N -0.551 118.550 119.070 0.053 0.000 2.326 279 H HA -0.088 8.364 4.556 6.492 0.000 0.301 279 H C 1.990 177.264 175.328 -0.089 0.000 1.081 279 H CA 1.130 57.213 56.048 0.057 0.000 1.334 279 H CB 0.063 29.952 29.762 0.211 0.000 1.385 279 H HN 0.302 nan 8.280 nan 0.000 0.504 280 A N 1.739 124.429 122.820 -0.217 0.000 1.892 280 A HA -0.215 8.002 4.320 6.494 0.000 0.218 280 A C 2.452 179.830 177.584 -0.344 0.000 1.188 280 A CA 1.443 53.134 52.037 -0.577 0.000 0.631 280 A CB -0.511 18.298 19.000 -0.318 0.000 0.822 280 A HN 0.342 nan 8.150 nan 0.000 0.447 281 R N -0.546 119.855 120.500 -0.166 0.000 2.081 281 R HA -0.135 8.101 4.340 6.494 0.000 0.235 281 R C 2.071 178.311 176.300 -0.101 0.000 1.131 281 R CA 1.717 57.746 56.100 -0.117 0.000 0.960 281 R CB -0.705 29.556 30.300 -0.064 0.000 0.856 281 R HN 0.776 nan 8.270 nan 0.000 0.436 282 E N 0.396 120.558 120.200 -0.064 0.000 2.118 282 E HA -0.171 8.076 4.350 6.494 0.000 0.195 282 E C 1.663 178.223 176.600 -0.065 0.000 0.992 282 E CA 1.506 57.891 56.400 -0.024 0.000 0.804 282 E CB -0.053 29.689 29.700 0.070 0.000 0.741 282 E HN 0.468 nan 8.360 nan 0.000 0.458 283 I N -4.350 116.125 120.570 -0.160 0.000 3.904 283 I HA 0.395 8.461 4.170 6.494 0.000 0.333 283 I C 0.919 176.925 176.117 -0.186 0.000 1.361 283 I CA 0.361 61.554 61.300 -0.177 0.000 1.116 283 I CB 0.412 38.262 38.000 -0.250 0.000 1.028 283 I HN 0.115 nan 8.210 nan 0.000 0.398 284 G N 2.430 111.126 108.800 -0.172 0.000 2.160 284 G HA2 -0.241 7.615 3.960 6.494 0.000 0.244 284 G HA3 -0.241 7.615 3.960 6.494 0.000 0.244 284 G C -0.096 174.705 174.900 -0.164 0.000 1.022 284 G CA 0.170 45.186 45.100 -0.139 0.000 0.741 284 G HN 0.513 nan 8.290 nan 0.000 0.508 285 I N 0.620 121.040 120.570 -0.250 0.000 2.359 285 I HA 0.281 8.347 4.170 6.494 0.000 0.294 285 I C -0.175 175.822 176.117 -0.200 0.000 0.987 285 I CA -0.832 60.320 61.300 -0.246 0.000 1.225 285 I CB 1.497 39.243 38.000 -0.423 0.000 1.366 285 I HN 0.043 nan 8.210 nan 0.000 0.466 286 D N 9.180 129.502 120.400 -0.131 0.000 2.336 286 D HA 0.155 8.692 4.640 6.494 0.000 0.249 286 D C -1.483 174.773 176.300 -0.073 0.000 1.213 286 D CA -2.277 51.646 54.000 -0.128 0.000 0.870 286 D CB 1.371 42.111 40.800 -0.100 0.000 1.076 286 D HN 0.222 nan 8.370 nan 0.000 0.483 287 P HA -0.144 nan 4.420 nan 0.000 0.222 287 P C 0.808 178.208 177.300 0.167 0.000 1.147 287 P CA 1.121 64.267 63.100 0.076 0.000 0.790 287 P CB 0.003 31.767 31.700 0.106 0.000 0.780 288 H N -0.797 118.281 119.070 0.014 0.000 2.518 288 H HA 0.037 8.489 4.556 6.494 0.000 0.289 288 H C 1.945 177.278 175.328 0.007 0.000 1.051 288 H CA 0.530 56.583 56.048 0.007 0.000 1.280 288 H CB -0.240 29.522 29.762 0.001 0.000 1.380 288 H HN 0.236 nan 8.280 nan 0.000 0.566 289 G N 0.443 109.317 108.800 0.124 0.000 3.141 289 G HA2 0.137 7.993 3.960 6.494 0.000 0.218 289 G HA3 0.137 7.993 3.960 6.494 0.000 0.218 289 G C 0.346 175.287 174.900 0.068 0.000 1.170 289 G CA -0.326 44.819 45.100 0.075 0.000 0.769 289 G HN 0.100 nan 8.290 nan 0.000 0.546 290 L N 0.503 121.774 121.223 0.080 0.000 2.490 290 L HA 0.132 8.369 4.340 6.494 0.000 0.274 290 L C 1.853 178.737 176.870 0.024 0.000 1.201 290 L CA -0.475 54.406 54.840 0.069 0.000 0.869 290 L CB 1.052 43.150 42.059 0.065 0.000 1.123 290 L HN 0.057 nan 8.230 nan 0.000 0.484 291 K N 2.846 123.262 120.400 0.026 0.000 2.116 291 K HA 0.049 8.266 4.320 6.494 0.000 0.203 291 K C 0.673 177.217 176.600 -0.093 0.000 1.052 291 K CA 1.153 57.443 56.287 0.005 0.000 0.952 291 K CB 0.281 32.826 32.500 0.074 0.000 0.729 291 K HN 0.614 nan 8.250 nan 0.000 0.446 295 L N 0.651 121.961 121.223 0.145 0.000 2.479 295 L HA 0.394 8.631 4.340 6.494 0.000 0.249 295 L C 1.257 178.137 176.870 0.016 0.000 1.178 295 L CA -0.938 53.987 54.840 0.141 0.000 0.811 295 L CB 0.182 42.379 42.059 0.231 0.000 1.187 295 L HN 0.174 nan 8.230 nan 0.000 0.480 296 H N 0.707 119.561 119.070 -0.361 0.000 2.983 296 H HA -0.014 8.438 4.556 6.494 0.000 0.361 296 H C -0.564 174.585 175.328 -0.298 0.000 1.145 296 H CA 0.612 56.317 56.048 -0.572 0.000 1.404 296 H CB 0.583 29.452 29.762 -1.489 0.000 1.356 296 H HN 0.275 nan 8.280 nan 0.000 0.612 297 Q N 3.289 122.680 119.800 -0.682 0.000 2.965 297 Q HA 0.384 8.620 4.340 6.494 0.000 0.288 297 Q C -0.389 175.428 176.000 -0.306 0.000 0.974 297 Q CA 0.147 55.749 55.803 -0.335 0.000 0.849 297 Q CB 1.455 30.056 28.738 -0.229 0.000 1.280 297 Q HN 0.745 nan 8.270 nan 0.000 0.441 298 A N 1.213 123.933 122.820 -0.166 0.000 1.977 298 A HA 0.193 8.409 4.320 6.494 0.000 0.197 298 A C 0.465 178.073 177.584 0.041 0.000 1.554 298 A CA 0.167 52.187 52.037 -0.028 0.000 1.037 298 A CB 0.693 19.749 19.000 0.094 0.000 1.083 298 A HN 0.333 nan 8.150 nan 0.000 0.471 299 N N -0.311 118.424 118.700 0.059 0.000 2.599 299 N HA 0.228 8.865 4.740 6.494 0.000 0.283 299 N C -0.060 175.483 175.510 0.056 0.000 1.160 299 N CA -0.411 52.683 53.050 0.074 0.000 0.869 299 N CB 1.219 39.762 38.487 0.093 0.000 1.448 299 N HN 0.175 nan 8.380 nan 0.000 0.535 300 I N 2.433 123.031 120.570 0.047 0.000 2.423 300 I HA -0.197 7.869 4.170 6.494 0.000 0.254 300 I C 0.356 176.503 176.117 0.050 0.000 1.151 300 I CA 0.851 62.173 61.300 0.038 0.000 1.421 300 I CB 0.118 38.130 38.000 0.021 0.000 1.079 300 I HN 0.519 nan 8.210 nan 0.000 0.431 304 E N 1.104 121.311 120.200 0.011 0.000 2.072 304 E HA 0.041 8.287 4.350 6.494 0.000 0.191 304 E C 1.369 177.970 176.600 0.001 0.000 0.985 304 E CA 1.132 57.538 56.400 0.010 0.000 0.801 304 E CB 0.073 29.789 29.700 0.027 0.000 0.750 304 E HN 0.334 nan 8.360 nan 0.000 0.452 305 I N 0.733 121.302 120.570 -0.002 0.000 2.233 305 I HA -0.235 7.832 4.170 6.494 0.000 0.243 305 I C 2.304 178.398 176.117 -0.038 0.000 1.093 305 I CA 0.914 62.210 61.300 -0.007 0.000 1.380 305 I CB -0.150 37.857 38.000 0.011 0.000 1.067 305 I HN 0.081 nan 8.210 nan 0.000 0.413 306 I N 0.759 121.284 120.570 -0.074 0.000 2.226 306 I HA -0.204 7.862 4.170 6.494 0.000 0.245 306 I C 2.676 178.769 176.117 -0.039 0.000 1.100 306 I CA 1.620 62.867 61.300 -0.089 0.000 1.374 306 I CB -0.903 37.004 38.000 -0.156 0.000 1.057 306 I HN 0.262 nan 8.210 nan 0.000 0.413 307 G N 0.634 109.421 108.800 -0.022 0.000 2.418 307 G HA2 -0.282 7.575 3.960 6.494 0.000 0.217 307 G HA3 -0.282 7.575 3.960 6.494 0.000 0.217 307 G C 1.788 176.676 174.900 -0.019 0.000 1.158 307 G CA 0.728 45.818 45.100 -0.017 0.000 0.771 307 G HN 0.292 nan 8.290 nan 0.000 0.545 308 R N 0.327 120.814 120.500 -0.021 0.000 2.081 308 R HA -0.066 8.170 4.340 6.494 0.000 0.235 308 R C 2.456 178.743 176.300 -0.021 0.000 1.131 308 R CA 1.725 57.809 56.100 -0.026 0.000 0.960 308 R CB -0.205 30.083 30.300 -0.020 0.000 0.856 308 R HN 0.256 nan 8.270 nan 0.000 0.436 309 K N 0.107 120.501 120.400 -0.009 0.000 2.057 309 K HA -0.069 8.147 4.320 6.494 0.000 0.207 309 K C 1.816 178.444 176.600 0.047 0.000 1.049 309 K CA 1.577 57.870 56.287 0.010 0.000 0.931 309 K CB -0.277 32.222 32.500 -0.002 0.000 0.714 309 K HN 0.075 nan 8.250 nan 0.000 0.440 310 V N 0.430 120.370 119.914 0.043 0.000 2.358 310 V HA -0.153 7.863 4.120 6.494 0.000 0.246 310 V C 2.105 178.290 176.094 0.151 0.000 1.047 310 V CA 1.454 63.809 62.300 0.091 0.000 1.035 310 V CB -0.351 31.510 31.823 0.064 0.000 0.658 310 V HN 0.255 nan 8.190 nan 0.000 0.452 311 L N 0.627 121.887 121.223 0.062 0.000 2.418 311 L HA 0.316 8.552 4.340 6.494 0.000 0.218 311 L C 1.729 178.484 176.870 -0.192 0.000 1.125 311 L CA 1.513 56.368 54.840 0.025 0.000 0.835 311 L CB -0.458 41.585 42.059 -0.026 0.000 0.953 311 L HN 0.491 nan 8.230 nan 0.000 0.454 312 G N 0.143 108.805 108.800 -0.230 0.000 2.155 312 G HA2 -0.326 7.530 3.960 6.494 0.000 0.257 312 G HA3 -0.326 7.530 3.960 6.494 0.000 0.257 312 G C 0.410 175.132 174.900 -0.295 0.000 0.983 312 G CA 0.610 45.439 45.100 -0.452 0.000 0.676 312 G HN 0.624 nan 8.290 nan 0.000 0.528 313 R N -1.656 118.737 120.500 -0.178 0.000 2.728 313 R HA 0.508 8.744 4.340 6.494 0.000 0.274 313 R C -1.878 174.378 176.300 -0.074 0.000 1.030 313 R CA -1.030 55.002 56.100 -0.114 0.000 0.876 313 R CB 0.346 30.578 30.300 -0.113 0.000 1.259 313 R HN -0.068 nan 8.270 nan 0.000 0.468 314 D N 2.647 123.015 120.400 -0.053 0.000 2.358 314 D HA 0.207 8.744 4.640 6.494 0.000 0.258 314 D C -2.106 174.169 176.300 -0.041 0.000 1.223 314 D CA -0.986 52.991 54.000 -0.039 0.000 0.886 314 D CB 1.012 41.794 40.800 -0.029 0.000 1.120 314 D HN 0.225 nan 8.370 nan 0.000 0.482 315 P HA 0.038 nan 4.420 nan 0.000 0.271 315 P C 0.312 177.587 177.300 -0.041 0.000 1.218 315 P CA -0.328 62.744 63.100 -0.046 0.000 0.780 315 P CB 0.463 32.132 31.700 -0.052 0.000 0.901 316 T N -0.077 114.452 114.554 -0.042 0.000 2.726 316 T HA 0.149 8.395 4.350 6.494 0.000 0.294 316 T C 1.346 176.018 174.700 -0.047 0.000 1.013 316 T CA -0.349 61.729 62.100 -0.037 0.000 0.996 316 T CB 0.470 69.319 68.868 -0.031 0.000 1.016 316 T HN 0.269 nan 8.240 nan 0.000 0.529 317 R N 0.367 120.841 120.500 -0.043 0.000 2.096 317 R HA -0.080 8.156 4.340 6.494 0.000 0.235 317 R C 1.796 178.049 176.300 -0.078 0.000 1.127 317 R CA 1.608 57.675 56.100 -0.055 0.000 0.968 317 R CB -0.372 29.901 30.300 -0.045 0.000 0.861 317 R HN 0.652 nan 8.270 nan 0.000 0.440 318 D N 0.554 120.917 120.400 -0.063 0.000 2.224 318 D HA -0.101 8.435 4.640 6.494 0.000 0.205 318 D C 1.475 177.719 176.300 -0.093 0.000 0.965 318 D CA 1.040 55.002 54.000 -0.064 0.000 0.852 318 D CB 0.035 40.822 40.800 -0.021 0.000 0.947 318 D HN 0.351 nan 8.370 nan 0.000 0.494 319 E N -0.205 119.938 120.200 -0.096 0.000 2.285 319 E HA -0.037 8.209 4.350 6.494 0.000 0.194 319 E C 0.370 176.863 176.600 -0.179 0.000 0.997 319 E CA 0.291 56.611 56.400 -0.132 0.000 0.845 319 E CB 0.243 29.889 29.700 -0.091 0.000 0.782 319 E HN -0.036 nan 8.360 nan 0.000 0.491 320 N N 0.465 119.082 118.700 -0.138 0.000 2.682 320 N HA 0.112 8.749 4.740 6.494 0.000 0.252 320 N C -1.440 174.008 175.510 -0.103 0.000 1.081 320 N CA -0.250 52.727 53.050 -0.123 0.000 0.844 320 N CB 1.158 39.602 38.487 -0.072 0.000 1.167 320 N HN -0.237 nan 8.380 nan 0.000 0.523 321 V N 3.932 123.776 119.914 -0.116 0.000 2.572 321 V HA 0.266 8.283 4.120 6.494 0.000 0.291 321 V C 0.306 176.385 176.094 -0.025 0.000 1.039 321 V CA -0.104 62.150 62.300 -0.077 0.000 1.055 321 V CB 0.634 32.501 31.823 0.073 0.000 0.969 321 V HN 0.426 nan 8.190 nan 0.000 0.482 322 I N 6.712 127.247 120.570 -0.058 0.000 2.410 322 I HA 0.326 8.392 4.170 6.494 0.000 0.286 322 I C 0.301 176.437 176.117 0.031 0.000 1.009 322 I CA -0.210 61.086 61.300 -0.008 0.000 1.111 322 I CB 1.517 39.508 38.000 -0.014 0.000 1.262 322 I HN 0.697 nan 8.210 nan 0.000 0.443 323 I N 4.181 124.800 120.570 0.083 0.000 4.227 323 I HA 0.118 8.185 4.170 6.494 0.000 0.334 323 I C 1.469 177.710 176.117 0.208 0.000 1.341 323 I CA 0.274 61.681 61.300 0.178 0.000 1.123 323 I CB -0.458 37.651 38.000 0.182 0.000 1.097 323 I HN 0.390 nan 8.210 nan 0.000 0.399 324 L N 0.379 121.664 121.223 0.102 0.000 2.362 324 L HA 0.028 8.264 4.340 6.494 0.000 0.219 324 L C 1.815 178.729 176.870 0.074 0.000 1.134 324 L CA 1.659 56.551 54.840 0.087 0.000 0.807 324 L CB -1.485 40.586 42.059 0.019 0.000 0.927 324 L HN 0.285 nan 8.230 nan 0.000 0.447 325 D N -0.395 120.041 120.400 0.060 0.000 2.149 325 D HA -0.241 8.295 4.640 6.494 0.000 0.198 325 D C 1.349 177.643 176.300 -0.011 0.000 0.990 325 D CA 1.708 55.718 54.000 0.018 0.000 0.839 325 D CB -0.483 40.324 40.800 0.011 0.000 0.948 325 D HN 0.461 nan 8.370 nan 0.000 0.460 326 D N -1.153 119.267 120.400 0.033 0.000 2.262 326 D HA -0.009 8.528 4.640 6.494 0.000 0.212 326 D C 1.361 177.506 176.300 -0.259 0.000 0.964 326 D CA 0.530 54.459 54.000 -0.118 0.000 0.875 326 D CB -0.184 40.598 40.800 -0.030 0.000 0.996 326 D HN 0.318 nan 8.370 nan 0.000 0.497 327 Y N 0.753 121.078 120.300 0.042 0.000 2.449 327 Y HA 0.402 8.849 4.550 6.494 0.000 0.254 327 Y C 1.340 177.252 175.900 0.020 0.000 1.140 327 Y CA 0.240 58.404 58.100 0.106 0.000 1.272 327 Y CB 0.326 38.863 38.460 0.128 0.000 1.114 327 Y HN -0.080 nan 8.280 nan 0.000 0.525 328 A N 0.997 123.878 122.820 0.103 0.000 6.069 328 A HA -0.358 7.858 4.320 6.494 0.000 0.278 328 A C 0.085 177.706 177.584 0.062 0.000 2.017 328 A CA 0.958 53.032 52.037 0.062 0.000 0.717 328 A CB -1.506 17.516 19.000 0.036 0.000 1.159 328 A HN 0.459 nan 8.150 nan 0.000 0.378 329 N N 0.367 119.094 118.700 0.045 0.000 2.414 329 N HA 0.441 9.077 4.740 6.494 0.000 0.256 329 N C 0.647 176.182 175.510 0.042 0.000 1.029 329 N CA 0.637 53.704 53.050 0.029 0.000 0.948 329 N CB 0.607 39.137 38.487 0.071 0.000 1.102 329 N HN 1.054 nan 8.380 nan 0.000 0.496 330 T N 0.442 114.955 114.554 -0.069 0.000 3.214 330 T HA 0.217 8.464 4.350 6.494 0.000 0.264 330 T C 0.874 175.474 174.700 -0.167 0.000 1.012 330 T CA 0.100 62.122 62.100 -0.131 0.000 0.901 330 T CB -0.419 68.400 68.868 -0.081 0.000 1.070 330 T HN 0.470 nan 8.240 nan 0.000 0.561 331 S N 2.308 117.949 115.700 -0.098 0.000 4.114 331 S HA -0.364 8.002 4.470 6.494 0.000 0.618 331 S C 1.849 176.470 174.600 0.035 0.000 1.937 331 S CA 3.020 61.240 58.200 0.033 0.000 4.228 331 S CB -1.748 61.422 63.200 -0.050 0.000 0.216 331 S HN 1.424 nan 8.310 nan 0.000 0.528 332 S N 1.863 117.565 115.700 0.004 0.000 2.383 332 S HA 0.025 8.392 4.470 6.494 0.000 0.229 332 S C 2.008 176.578 174.600 -0.051 0.000 1.030 332 S CA 2.125 60.322 58.200 -0.005 0.000 1.002 332 S CB -1.093 62.086 63.200 -0.034 0.000 0.829 332 S HN 1.664 nan 8.310 nan 0.000 0.467 333 A N 1.434 124.197 122.820 -0.094 0.000 2.119 333 A HA 0.403 8.619 4.320 6.494 0.000 0.216 333 A C 2.266 179.750 177.584 -0.168 0.000 1.152 333 A CA 0.993 52.954 52.037 -0.127 0.000 0.708 333 A CB -1.495 17.425 19.000 -0.133 0.000 0.805 333 A HN 0.637 nan 8.150 nan 0.000 0.460 334 G N 0.780 109.455 108.800 -0.207 0.000 2.459 334 G HA2 -0.290 7.566 3.960 6.494 0.000 0.217 334 G HA3 -0.290 7.566 3.960 6.494 0.000 0.217 334 G C 1.985 176.768 174.900 -0.195 0.000 1.183 334 G CA 1.826 46.768 45.100 -0.263 0.000 0.776 334 G HN 0.840 nan 8.290 nan 0.000 0.552 335 S N 0.586 116.194 115.700 -0.154 0.000 2.399 335 S HA -0.056 8.310 4.470 6.494 0.000 0.231 335 S C 2.234 176.800 174.600 -0.057 0.000 1.022 335 S CA 1.149 59.313 58.200 -0.059 0.000 0.983 335 S CB -0.205 62.977 63.200 -0.029 0.000 0.803 335 S HN 0.192 nan 8.310 nan 0.000 0.480 336 I N 2.058 122.568 120.570 -0.100 0.000 2.353 336 I HA 0.006 8.073 4.170 6.494 0.000 0.248 336 I C 2.387 178.454 176.117 -0.084 0.000 1.119 336 I CA 0.595 61.845 61.300 -0.084 0.000 1.417 336 I CB -1.325 36.613 38.000 -0.103 0.000 1.078 336 I HN 0.316 nan 8.210 nan 0.000 0.421 337 I N 1.391 121.862 120.570 -0.165 0.000 2.163 337 I HA -0.282 7.784 4.170 6.494 0.000 0.243 337 I C 2.829 178.887 176.117 -0.099 0.000 1.085 337 I CA 1.489 62.652 61.300 -0.228 0.000 1.347 337 I CB -0.528 37.187 38.000 -0.475 0.000 1.044 337 I HN 0.125 nan 8.210 nan 0.000 0.408 338 A N 0.858 123.665 122.820 -0.023 0.000 1.883 338 A HA -0.274 7.942 4.320 6.494 0.000 0.217 338 A C 2.271 179.894 177.584 0.065 0.000 1.186 338 A CA 1.743 53.880 52.037 0.168 0.000 0.624 338 A CB -1.077 18.079 19.000 0.261 0.000 0.822 338 A HN 0.463 nan 8.150 nan 0.000 0.444 339 F N 0.232 119.878 119.950 -0.506 0.000 2.095 339 F HA -0.213 8.211 4.527 6.494 0.000 0.298 339 F C 2.200 177.588 175.800 -0.687 0.000 1.104 339 F CA 2.394 59.629 58.000 -1.276 0.000 1.232 339 F CB -0.747 37.535 39.000 -1.196 0.000 0.987 339 F HN 0.501 nan 8.300 nan 0.000 0.475 340 H N 0.099 118.851 119.070 -0.531 0.000 2.353 340 H HA -0.082 8.370 4.556 6.493 0.000 0.300 340 H C 2.009 177.098 175.328 -0.398 0.000 1.090 340 H CA 2.274 58.029 56.048 -0.488 0.000 1.327 340 H CB -0.122 29.476 29.762 -0.272 0.000 1.383 340 H HN 0.258 nan 8.280 nan 0.000 0.508 341 K N -0.962 119.286 120.400 -0.254 0.000 2.365 341 K HA 0.008 8.224 4.320 6.494 0.000 0.197 341 K C -0.153 176.078 176.600 -0.615 0.000 1.042 341 K CA 0.414 56.466 56.287 -0.392 0.000 0.987 341 K CB 0.483 32.801 32.500 -0.303 0.000 0.779 341 K HN 0.456 nan 8.250 nan 0.000 0.484 342 H N 1.030 120.068 119.070 -0.054 0.000 2.439 342 H HA 0.108 8.560 4.556 6.494 0.000 0.228 342 H C -0.380 175.084 175.328 0.227 0.000 1.423 342 H CA -0.035 56.081 56.048 0.113 0.000 1.386 342 H CB 0.489 30.385 29.762 0.224 0.000 1.641 342 H HN 0.258 nan 8.280 nan 0.000 0.508 343 Q N -0.314 119.555 119.800 0.114 0.000 2.110 343 Q HA 0.131 8.367 4.340 6.494 0.000 0.232 343 Q C -0.367 175.774 176.000 0.235 0.000 0.810 343 Q CA -0.689 55.261 55.803 0.245 0.000 1.083 343 Q CB 0.677 29.398 28.738 -0.028 0.000 1.193 343 Q HN 0.236 nan 8.270 nan 0.000 0.471 344 D N 0.144 120.641 120.400 0.161 0.000 2.329 344 D HA 0.196 8.732 4.640 6.494 0.000 0.246 344 D C -0.069 176.314 176.300 0.138 0.000 1.111 344 D CA 0.134 54.204 54.000 0.117 0.000 0.941 344 D CB 0.667 41.511 40.800 0.074 0.000 1.169 344 D HN 0.061 nan 8.370 nan 0.000 0.441 348 Q N 0.221 119.982 119.800 -0.066 0.000 2.304 348 Q HA 0.325 8.562 4.340 6.494 0.000 0.315 348 Q C 1.307 177.282 176.000 -0.042 0.000 1.075 348 Q CA 2.373 58.125 55.803 -0.086 0.000 0.988 348 Q CB 0.102 28.799 28.738 -0.069 0.000 1.146 348 Q HN 2.499 nan 8.270 nan 0.000 0.383 349 G N 3.420 112.196 108.800 -0.040 0.000 2.234 349 G HA2 -0.217 7.640 3.960 6.494 0.000 0.235 349 G HA3 -0.217 7.640 3.960 6.494 0.000 0.235 349 G C -0.398 174.534 174.900 0.055 0.000 0.997 349 G CA 0.036 45.141 45.100 0.008 0.000 0.623 349 G HN 0.712 nan 8.290 nan 0.000 0.514 350 D N 0.854 121.297 120.400 0.072 0.000 2.443 350 D HA 0.466 9.002 4.640 6.494 0.000 0.239 350 D C 0.969 177.421 176.300 0.252 0.000 1.136 350 D CA 0.258 54.346 54.000 0.147 0.000 0.879 350 D CB 0.773 41.681 40.800 0.179 0.000 1.195 350 D HN 0.368 nan 8.370 nan 0.000 0.443 351 L N 1.353 122.713 121.223 0.228 0.000 2.307 351 L HA 0.644 8.881 4.340 6.494 0.000 0.282 351 L C 1.027 178.063 176.870 0.277 0.000 1.051 351 L CA -0.511 54.493 54.840 0.273 0.000 0.804 351 L CB 1.705 43.879 42.059 0.191 0.000 1.197 351 L HN 0.325 nan 8.230 nan 0.000 0.431 352 G N 2.128 111.136 108.800 0.348 0.000 2.658 352 G HA2 0.684 8.540 3.960 6.494 0.000 0.292 352 G HA3 0.684 8.540 3.960 6.494 0.000 0.292 352 G C -2.101 172.891 174.900 0.154 0.000 1.320 352 G CA -0.483 44.719 45.100 0.171 0.000 0.933 352 G HN 0.347 nan 8.290 nan 0.000 0.476 353 L N 0.412 121.623 121.223 -0.020 0.000 2.406 353 L HA 0.676 8.912 4.340 6.494 0.000 0.272 353 L C -1.000 175.896 176.870 0.044 0.000 0.980 353 L CA -0.722 54.012 54.840 -0.177 0.000 0.831 353 L CB 1.533 43.376 42.059 -0.361 0.000 1.253 353 L HN 0.439 nan 8.230 nan 0.000 0.406 354 I N 4.975 125.524 120.570 -0.035 0.000 2.321 354 I HA 0.441 8.507 4.170 6.494 0.000 0.291 354 I C -0.562 175.516 176.117 -0.064 0.000 0.998 354 I CA -0.427 60.857 61.300 -0.027 0.000 1.227 354 I CB 1.400 39.241 38.000 -0.265 0.000 1.368 354 I HN 0.677 nan 8.210 nan 0.000 0.466 355 C N 5.947 125.260 119.300 0.021 0.000 2.551 355 C HA 0.705 9.061 4.460 6.494 0.000 0.332 355 C C 0.073 175.126 174.990 0.105 0.000 1.139 355 C CA -0.282 58.782 59.018 0.077 0.000 1.328 355 C CB 0.774 28.587 27.740 0.121 0.000 1.903 355 C HN 0.881 nan 8.230 nan 0.000 0.459 356 S N 4.081 119.835 115.700 0.089 0.000 2.621 356 S HA 0.983 9.349 4.470 6.494 0.000 0.302 356 S C -0.904 173.676 174.600 -0.033 0.000 1.093 356 S CA -0.505 57.656 58.200 -0.064 0.000 1.017 356 S CB 1.502 64.708 63.200 0.011 0.000 1.077 356 S HN 1.363 nan 8.310 nan 0.000 0.517 357 F N -2.034 117.679 119.950 -0.395 0.000 2.708 357 F HA 0.862 9.284 4.527 6.493 0.000 0.309 357 F C 0.124 175.572 175.800 -0.587 0.000 1.120 357 F CA -0.290 57.490 58.000 -0.366 0.000 0.978 357 F CB 1.036 39.888 39.000 -0.246 0.000 1.283 357 F HN 1.108 nan 8.300 nan 0.000 0.439 358 G N 0.485 109.221 108.800 -0.106 0.000 2.564 358 G HA2 0.560 8.417 3.960 6.494 0.000 0.139 358 G HA3 0.560 8.417 3.960 6.494 0.000 0.139 358 G C -1.181 173.788 174.900 0.114 0.000 1.147 358 G CA -0.137 44.938 45.100 -0.041 0.000 1.031 358 G HN 1.420 nan 8.290 nan 0.000 0.482 359 A N -0.263 122.639 122.820 0.137 0.000 2.540 359 A HA 0.599 8.815 4.320 6.494 0.000 0.239 359 A C 1.381 179.021 177.584 0.093 0.000 1.061 359 A CA 2.119 54.243 52.037 0.146 0.000 0.758 359 A CB -0.097 18.992 19.000 0.148 0.000 0.991 359 A HN 2.721 nan 8.150 nan 0.000 0.502 360 G N 0.775 109.607 108.800 0.052 0.000 4.241 360 G HA2 -0.065 7.791 3.960 6.494 0.000 0.193 360 G HA3 -0.065 7.791 3.960 6.494 0.000 0.193 360 G C 0.157 175.000 174.900 -0.095 0.000 1.789 360 G CA -0.175 44.937 45.100 0.021 0.000 1.025 360 G HN 0.668 nan 8.290 nan 0.000 0.346 361 Y N 2.518 122.785 120.300 -0.056 0.000 2.550 361 Y HA 0.376 8.822 4.550 6.493 0.000 0.343 361 Y C 1.121 177.032 175.900 0.018 0.000 1.245 361 Y CA 0.549 58.638 58.100 -0.019 0.000 1.462 361 Y CB 0.989 39.444 38.460 -0.008 0.000 1.340 361 Y HN 0.464 nan 8.280 nan 0.000 0.604 362 S N 0.967 116.781 115.700 0.191 0.000 2.549 362 S HA 0.927 9.293 4.470 6.494 0.000 0.280 362 S C -1.136 173.551 174.600 0.146 0.000 1.109 362 S CA -0.792 57.480 58.200 0.120 0.000 0.905 362 S CB 2.111 65.237 63.200 -0.122 0.000 1.081 362 S HN 0.919 nan 8.310 nan 0.000 0.477 363 A N 0.806 123.782 122.820 0.261 0.000 2.574 363 A HA 0.952 9.168 4.320 6.494 0.000 0.297 363 A C -0.257 177.530 177.584 0.339 0.000 1.062 363 A CA -0.415 51.772 52.037 0.250 0.000 0.686 363 A CB 1.418 20.506 19.000 0.147 0.000 1.285 363 A HN 1.800 nan 8.150 nan 0.000 0.403 364 G N 0.393 109.355 108.800 0.270 0.000 2.682 364 G HA2 0.692 8.548 3.960 6.494 0.000 0.300 364 G HA3 0.692 8.548 3.960 6.494 0.000 0.300 364 G C -0.641 174.311 174.900 0.086 0.000 1.391 364 G CA 0.085 45.283 45.100 0.165 0.000 0.990 364 G HN 1.338 nan 8.290 nan 0.000 0.501 365 T N -1.446 113.125 114.554 0.028 0.000 2.829 365 T HA 0.696 8.942 4.350 6.494 0.000 0.280 365 T C -0.763 173.952 174.700 0.024 0.000 0.999 365 T CA -0.858 61.252 62.100 0.017 0.000 0.983 365 T CB 2.025 70.979 68.868 0.143 0.000 0.968 365 T HN 0.627 nan 8.240 nan 0.000 0.446 366 V N 3.386 123.246 119.914 -0.090 0.000 2.419 366 V HA 0.404 8.420 4.120 6.494 0.000 0.287 366 V C -0.993 175.028 176.094 -0.121 0.000 1.017 366 V CA -0.901 61.375 62.300 -0.040 0.000 0.844 366 V CB 0.489 32.250 31.823 -0.103 0.000 1.011 366 V HN 0.894 nan 8.190 nan 0.000 0.429 367 F N 4.392 124.378 119.950 0.061 0.000 2.410 367 F HA 0.653 9.076 4.527 6.494 0.000 0.348 367 F C 0.463 176.310 175.800 0.079 0.000 1.106 367 F CA -0.261 57.764 58.000 0.043 0.000 1.163 367 F CB 1.726 40.702 39.000 -0.040 0.000 1.129 367 F HN 0.419 nan 8.300 nan 0.000 0.516 368 V N 1.122 121.223 119.914 0.312 0.000 3.040 368 V HA 0.697 8.713 4.120 6.494 0.000 0.312 368 V C -1.136 175.248 176.094 0.483 0.000 1.115 368 V CA -0.865 61.649 62.300 0.356 0.000 0.998 368 V CB 1.797 33.797 31.823 0.295 0.000 1.042 368 V HN 0.772 nan 8.190 nan 0.000 0.433 369 Q N 1.177 121.275 119.800 0.497 0.000 2.305 369 Q HA 0.444 8.680 4.340 6.494 0.000 0.271 369 Q C -1.000 175.123 176.000 0.205 0.000 1.046 369 Q CA -0.743 55.286 55.803 0.376 0.000 0.798 369 Q CB 2.414 31.269 28.738 0.194 0.000 1.286 369 Q HN 0.902 nan 8.270 nan 0.000 0.435 370 K N 3.283 123.620 120.400 -0.106 0.000 2.379 370 K HA 0.187 8.403 4.320 6.494 0.000 0.284 370 K C -0.411 175.971 176.600 -0.363 0.000 1.044 370 K CA 0.037 55.866 56.287 -0.764 0.000 0.974 370 K CB 0.621 32.624 32.500 -0.828 0.000 0.962 370 K HN 0.539 nan 8.250 nan 0.000 0.474 371 R N 0.000 120.279 120.500 -0.369 0.000 2.786 371 R HA 0.000 8.236 4.340 6.494 0.000 0.208 371 R CA 0.000 55.990 56.100 -0.183 0.000 0.921 371 R CB 0.000 30.231 30.300 -0.115 0.000 0.687 371 R HN 0.000 nan 8.270 nan 0.000 0.535