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 2eq8_1_B DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.227 176.300 -0.121 0.000 1.140 7 M CA 0.000 55.232 55.300 -0.114 0.000 0.988 7 M CB 0.000 32.564 32.600 -0.060 0.000 1.302 8 K N 1.771 122.070 120.400 -0.169 0.000 2.201 8 K HA 0.691 5.012 4.320 0.001 0.000 0.278 8 K C 0.433 176.988 176.600 -0.075 0.000 1.027 8 K CA -0.179 56.024 56.287 -0.139 0.000 0.909 8 K CB 1.358 33.808 32.500 -0.083 0.000 1.062 8 K HN 0.636 nan 8.250 nan 0.000 0.465 9 T N -0.582 113.827 114.554 -0.242 0.000 2.932 9 T HA 0.609 4.959 4.350 0.001 0.000 0.289 9 T C -0.846 173.583 174.700 -0.453 0.000 1.039 9 T CA -0.748 61.261 62.100 -0.151 0.000 1.024 9 T CB 0.682 69.509 68.868 -0.068 0.000 1.090 9 T HN 0.396 nan 8.240 nan 0.000 0.496 10 Y N -0.878 119.458 120.300 0.061 0.000 2.655 10 Y HA 0.413 4.963 4.550 0.001 0.000 0.336 10 Y C 0.797 176.724 175.900 0.044 0.000 1.154 10 Y CA -1.307 56.824 58.100 0.052 0.000 1.055 10 Y CB 1.127 39.622 38.460 0.058 0.000 1.295 10 Y HN 0.552 nan 8.280 nan 0.000 0.465 11 D N 0.285 120.808 120.400 0.204 0.000 2.183 11 D HA -0.005 4.636 4.640 0.001 0.000 0.203 11 D C -0.216 176.161 176.300 0.128 0.000 0.969 11 D CA 1.547 55.623 54.000 0.127 0.000 0.842 11 D CB 0.555 41.410 40.800 0.093 0.000 0.957 11 D HN 0.169 nan 8.370 nan 0.000 0.484 12 L N 0.412 121.718 121.223 0.139 0.000 2.505 12 L HA 0.420 4.760 4.340 0.001 0.000 0.259 12 L C -1.801 175.087 176.870 0.031 0.000 0.952 12 L CA -0.520 54.371 54.840 0.086 0.000 0.840 12 L CB 2.216 44.307 42.059 0.053 0.000 1.358 12 L HN -0.229 nan 8.230 nan 0.000 0.409 13 I N 4.331 124.905 120.570 0.006 0.000 2.436 13 I HA 0.470 4.640 4.170 0.001 0.000 0.289 13 I C -0.520 175.560 176.117 -0.062 0.000 1.010 13 I CA -0.837 60.414 61.300 -0.081 0.000 1.098 13 I CB 2.154 40.116 38.000 -0.064 0.000 1.266 13 I HN 0.263 nan 8.210 nan 0.000 0.434 14 V N 7.259 127.116 119.914 -0.095 0.000 2.398 14 V HA 0.436 4.557 4.120 0.001 0.000 0.286 14 V C 0.089 176.126 176.094 -0.095 0.000 1.026 14 V CA -0.497 61.763 62.300 -0.066 0.000 0.868 14 V CB 1.899 33.694 31.823 -0.048 0.000 0.982 14 V HN 0.469 nan 8.190 nan 0.000 0.443 15 I N 4.641 125.159 120.570 -0.086 0.000 2.307 15 I HA 0.714 4.884 4.170 0.001 0.000 0.289 15 I C 0.673 176.731 176.117 -0.097 0.000 1.021 15 I CA -0.036 61.191 61.300 -0.121 0.000 1.224 15 I CB 1.117 39.032 38.000 -0.143 0.000 1.376 15 I HN 0.885 nan 8.210 nan 0.000 0.470 16 G N 3.442 112.187 108.800 -0.091 0.000 2.885 16 G HA2 -0.092 3.869 3.960 0.001 0.000 0.685 16 G HA3 -0.092 3.869 3.960 0.001 0.000 0.685 16 G C -0.123 174.772 174.900 -0.009 0.000 1.216 16 G CA -0.339 44.729 45.100 -0.054 0.000 0.790 16 G HN 0.716 nan 8.290 nan 0.000 0.631 17 T N -0.059 114.510 114.554 0.024 0.000 3.293 17 T HA 0.638 4.989 4.350 0.001 0.000 0.276 17 T C 1.238 176.054 174.700 0.193 0.000 1.003 17 T CA 0.902 63.060 62.100 0.098 0.000 0.916 17 T CB 0.628 69.533 68.868 0.060 0.000 1.134 17 T HN 1.714 nan 8.240 nan 0.000 0.530 18 G N 2.037 110.908 108.800 0.119 0.000 2.535 18 G HA2 0.462 4.423 3.960 0.001 0.000 0.282 18 G HA3 0.462 4.423 3.960 0.001 0.000 0.282 18 G C -1.512 173.425 174.900 0.062 0.000 1.350 18 G CA -1.642 43.532 45.100 0.123 0.000 1.039 18 G HN 0.035 nan 8.290 nan 0.000 0.509 19 P HA -0.160 nan 4.420 nan 0.000 0.217 19 P C 1.969 178.983 177.300 -0.476 0.000 1.158 19 P CA 2.145 65.005 63.100 -0.401 0.000 0.887 19 P CB 0.007 31.576 31.700 -0.220 0.000 0.792 20 G N -0.856 107.800 108.800 -0.240 0.000 2.404 20 G HA2 -0.156 3.805 3.960 0.001 0.000 0.214 20 G HA3 -0.156 3.805 3.960 0.001 0.000 0.214 20 G C 1.827 176.668 174.900 -0.099 0.000 1.189 20 G CA 0.882 45.881 45.100 -0.168 0.000 0.789 20 G HN 0.357 nan 8.290 nan 0.000 0.533 21 G N 0.583 109.351 108.800 -0.053 0.000 2.446 21 G HA2 -0.259 3.702 3.960 0.001 0.000 0.217 21 G HA3 -0.259 3.702 3.960 0.001 0.000 0.217 21 G C 1.743 176.679 174.900 0.061 0.000 1.168 21 G CA 1.446 46.547 45.100 0.002 0.000 0.771 21 G HN 0.657 nan 8.290 nan 0.000 0.551 22 Y N -0.161 120.165 120.300 0.044 0.000 2.439 22 Y HA 0.130 4.681 4.550 0.001 0.000 0.292 22 Y C 2.341 178.255 175.900 0.023 0.000 1.130 22 Y CA 1.183 59.297 58.100 0.025 0.000 1.254 22 Y CB -0.759 37.712 38.460 0.018 0.000 1.000 22 Y HN 0.281 nan 8.280 nan 0.000 0.554 23 H N 0.470 119.412 119.070 -0.214 0.000 2.363 23 H HA 0.139 4.696 4.556 0.001 0.000 0.301 23 H C 2.355 177.652 175.328 -0.051 0.000 1.074 23 H CA 1.523 57.488 56.048 -0.138 0.000 1.354 23 H CB -0.330 29.288 29.762 -0.241 0.000 1.397 23 H HN 0.466 nan 8.280 nan 0.000 0.516 24 A N 0.698 123.549 122.820 0.052 0.000 1.877 24 A HA -0.120 4.201 4.320 0.001 0.000 0.216 24 A C 2.532 180.117 177.584 0.001 0.000 1.186 24 A CA 1.737 53.778 52.037 0.008 0.000 0.620 24 A CB -1.170 17.822 19.000 -0.013 0.000 0.822 24 A HN 0.469 nan 8.150 nan 0.000 0.443 25 A N -0.048 122.782 122.820 0.017 0.000 1.883 25 A HA -0.125 4.196 4.320 0.001 0.000 0.217 25 A C 2.163 179.751 177.584 0.006 0.000 1.186 25 A CA 1.668 53.711 52.037 0.009 0.000 0.624 25 A CB -0.656 18.356 19.000 0.020 0.000 0.822 25 A HN 0.505 nan 8.150 nan 0.000 0.444 26 I N -1.270 119.308 120.570 0.013 0.000 2.202 26 I HA -0.232 3.939 4.170 0.001 0.000 0.242 26 I C 2.704 178.808 176.117 -0.021 0.000 1.091 26 I CA 1.694 62.988 61.300 -0.010 0.000 1.368 26 I CB -0.278 37.708 38.000 -0.025 0.000 1.058 26 I HN 0.283 nan 8.210 nan 0.000 0.410 27 R N 1.760 122.245 120.500 -0.025 0.000 2.081 27 R HA -0.129 4.212 4.340 0.001 0.000 0.235 27 R C 2.170 178.460 176.300 -0.017 0.000 1.131 27 R CA 1.989 58.077 56.100 -0.021 0.000 0.960 27 R CB -0.900 29.392 30.300 -0.013 0.000 0.856 27 R HN 0.354 nan 8.270 nan 0.000 0.436 28 A N 0.216 123.026 122.820 -0.017 0.000 1.908 28 A HA -0.056 4.265 4.320 0.001 0.000 0.218 28 A C 2.391 179.974 177.584 -0.002 0.000 1.181 28 A CA 1.951 53.980 52.037 -0.014 0.000 0.627 28 A CB -1.098 17.892 19.000 -0.015 0.000 0.818 28 A HN 0.493 nan 8.150 nan 0.000 0.445 29 A N -0.575 122.244 122.820 -0.001 0.000 1.902 29 A HA -0.217 4.104 4.320 0.001 0.000 0.217 29 A C 2.092 179.677 177.584 0.001 0.000 1.181 29 A CA 1.635 53.675 52.037 0.005 0.000 0.623 29 A CB -0.614 18.387 19.000 0.002 0.000 0.818 29 A HN 0.668 nan 8.150 nan 0.000 0.443 30 Q N -0.444 119.352 119.800 -0.006 0.000 2.170 30 Q HA -0.021 4.320 4.340 0.001 0.000 0.203 30 Q C 1.292 177.290 176.000 -0.003 0.000 0.976 30 Q CA 1.006 56.804 55.803 -0.007 0.000 0.858 30 Q CB -0.294 28.436 28.738 -0.013 0.000 0.907 30 Q HN 0.641 nan 8.270 nan 0.000 0.433 31 L N -0.357 120.865 121.223 -0.002 0.000 2.645 31 L HA 0.165 4.506 4.340 0.001 0.000 0.234 31 L C 0.942 177.816 176.870 0.006 0.000 1.165 31 L CA 0.315 55.155 54.840 0.000 0.000 0.944 31 L CB -0.198 41.859 42.059 -0.003 0.000 1.149 31 L HN 0.429 nan 8.230 nan 0.000 0.446 32 G N -0.256 108.549 108.800 0.009 0.000 2.176 32 G HA2 -0.256 3.704 3.960 0.001 0.000 0.253 32 G HA3 -0.256 3.704 3.960 0.001 0.000 0.253 32 G C -0.039 174.875 174.900 0.022 0.000 0.979 32 G CA -0.340 44.769 45.100 0.014 0.000 0.641 32 G HN 0.149 nan 8.290 nan 0.000 0.530 33 L N 0.670 121.908 121.223 0.025 0.000 2.395 33 L HA 0.500 4.840 4.340 0.001 0.000 0.269 33 L C 0.859 177.762 176.870 0.054 0.000 1.133 33 L CA -0.093 54.770 54.840 0.039 0.000 0.812 33 L CB 0.909 42.989 42.059 0.036 0.000 1.125 33 L HN 0.102 nan 8.230 nan 0.000 0.452 34 K N 1.855 122.304 120.400 0.082 0.000 2.285 34 K HA 0.495 4.816 4.320 0.001 0.000 0.286 34 K C -1.055 175.648 176.600 0.172 0.000 1.072 34 K CA -0.350 56.014 56.287 0.127 0.000 0.913 34 K CB 0.962 33.542 32.500 0.133 0.000 1.067 34 K HN 0.269 nan 8.250 nan 0.000 0.479 35 V N 4.194 124.181 119.914 0.120 0.000 2.628 35 V HA 0.417 4.538 4.120 0.001 0.000 0.306 35 V C -0.852 175.182 176.094 -0.100 0.000 1.045 35 V CA -1.107 61.210 62.300 0.029 0.000 0.905 35 V CB 1.746 33.567 31.823 -0.004 0.000 0.997 35 V HN 0.530 nan 8.190 nan 0.000 0.436 36 L N 3.746 124.772 121.223 -0.329 0.000 2.356 36 L HA 0.919 5.259 4.340 0.001 0.000 0.277 36 L C -0.093 176.587 176.870 -0.317 0.000 0.996 36 L CA -0.253 54.264 54.840 -0.540 0.000 0.822 36 L CB 1.368 42.685 42.059 -1.237 0.000 1.256 36 L HN 0.792 nan 8.230 nan 0.000 0.413 37 A N 5.101 127.785 122.820 -0.226 0.000 2.303 37 A HA 0.793 5.113 4.320 0.001 0.000 0.320 37 A C -1.176 176.302 177.584 -0.176 0.000 1.192 37 A CA -0.544 51.399 52.037 -0.157 0.000 0.821 37 A CB 1.282 20.230 19.000 -0.086 0.000 1.188 37 A HN 0.520 nan 8.150 nan 0.000 0.492 38 V N 1.942 121.750 119.914 -0.177 0.000 2.513 38 V HA 0.638 4.759 4.120 0.001 0.000 0.299 38 V C -0.345 175.671 176.094 -0.130 0.000 1.035 38 V CA -0.469 61.721 62.300 -0.184 0.000 0.889 38 V CB 1.511 33.192 31.823 -0.236 0.000 0.988 38 V HN 0.975 nan 8.190 nan 0.000 0.440 39 E N 3.004 123.144 120.200 -0.101 0.000 2.260 39 E HA 0.688 5.039 4.350 0.001 0.000 0.266 39 E C 0.184 176.764 176.600 -0.032 0.000 0.887 39 E CA -0.089 56.274 56.400 -0.062 0.000 0.777 39 E CB 1.835 31.511 29.700 -0.040 0.000 1.205 39 E HN 0.636 nan 8.360 nan 0.000 0.414 40 A N 3.135 125.952 122.820 -0.005 0.000 2.072 40 A HA 0.414 4.734 4.320 0.001 0.000 0.216 40 A C 1.092 178.720 177.584 0.072 0.000 1.156 40 A CA 1.245 53.332 52.037 0.083 0.000 0.701 40 A CB -0.014 19.131 19.000 0.241 0.000 0.816 40 A HN 0.600 nan 8.150 nan 0.000 0.458 41 G N -1.097 107.726 108.800 0.039 0.000 3.392 41 G HA2 0.462 4.423 3.960 0.001 0.000 0.185 41 G HA3 0.462 4.423 3.960 0.001 0.000 0.185 41 G C -0.909 173.993 174.900 0.003 0.000 1.206 41 G CA -0.336 44.778 45.100 0.023 0.000 0.776 41 G HN 0.065 nan 8.290 nan 0.000 0.697 42 E N 0.652 120.849 120.200 -0.004 0.000 2.283 42 E HA 0.390 4.740 4.350 0.001 0.000 0.278 42 E C 0.018 176.610 176.600 -0.014 0.000 1.027 42 E CA -0.373 56.018 56.400 -0.015 0.000 0.843 42 E CB 2.018 31.705 29.700 -0.022 0.000 1.062 42 E HN 0.091 nan 8.360 nan 0.000 0.401 43 V N 2.015 121.915 119.914 -0.025 0.000 2.763 43 V HA 0.227 4.347 4.120 0.001 0.000 0.306 43 V C 1.518 177.598 176.094 -0.022 0.000 1.059 43 V CA 1.731 64.014 62.300 -0.028 0.000 1.138 43 V CB 0.674 32.463 31.823 -0.056 0.000 0.940 43 V HN 1.029 nan 8.190 nan 0.000 0.489 44 G N 2.635 111.447 108.800 0.021 0.000 2.213 44 G HA2 0.104 4.065 3.960 0.001 0.000 0.226 44 G HA3 0.104 4.065 3.960 0.001 0.000 0.226 44 G C 0.924 175.888 174.900 0.106 0.000 0.992 44 G CA 0.156 45.296 45.100 0.067 0.000 0.632 44 G HN 2.273 nan 8.290 nan 0.000 0.511 45 G N -1.312 107.526 108.800 0.062 0.000 2.641 45 G HA2 -0.031 3.929 3.960 0.001 0.000 0.254 45 G HA3 -0.031 3.929 3.960 0.001 0.000 0.254 45 G C 1.120 176.032 174.900 0.022 0.000 1.315 45 G CA 0.994 46.120 45.100 0.043 0.000 0.907 45 G HN 1.286 nan 8.290 nan 0.000 0.572 46 V N -0.001 119.921 119.914 0.012 0.000 2.261 46 V HA -0.262 3.858 4.120 0.001 0.000 0.246 46 V C 3.194 179.286 176.094 -0.003 0.000 1.047 46 V CA 3.031 65.330 62.300 -0.001 0.000 1.015 46 V CB -1.135 30.686 31.823 -0.003 0.000 0.642 46 V HN 1.153 nan 8.190 nan 0.000 0.446 47 c N -0.114 118.491 118.600 0.008 0.000 2.385 47 c HA -0.218 4.353 4.570 0.001 0.000 0.275 47 c C 2.541 176.628 174.090 -0.004 0.000 1.207 47 c CA 1.721 58.053 56.329 0.005 0.000 1.760 47 c CB -1.111 41.412 42.510 0.022 0.000 2.051 47 c HN 0.545 nan 8.230 nan 0.000 0.467 48 L N 0.958 122.190 121.223 0.015 0.000 2.209 48 L HA 0.049 4.389 4.340 0.001 0.000 0.207 48 L C 2.406 179.251 176.870 -0.041 0.000 1.094 48 L CA 1.555 56.389 54.840 -0.010 0.000 0.790 48 L CB -0.769 41.296 42.059 0.010 0.000 0.932 48 L HN 0.437 nan 8.230 nan 0.000 0.447 49 N N -0.680 118.000 118.700 -0.032 0.000 2.349 49 N HA 0.043 4.784 4.740 0.001 0.000 0.180 49 N C 1.115 176.593 175.510 -0.053 0.000 1.024 49 N CA 1.599 54.621 53.050 -0.046 0.000 0.869 49 N CB 0.803 39.269 38.487 -0.035 0.000 1.022 49 N HN 0.291 nan 8.380 nan 0.000 0.433 50 V N -3.292 116.595 119.914 -0.044 0.000 3.172 50 V HA 0.621 4.742 4.120 0.001 0.000 0.343 50 V C 0.581 176.652 176.094 -0.038 0.000 1.429 50 V CA -0.128 62.143 62.300 -0.048 0.000 1.149 50 V CB 0.548 32.340 31.823 -0.052 0.000 1.106 50 V HN 0.128 nan 8.190 nan 0.000 0.526 51 G N -0.171 108.608 108.800 -0.035 0.000 3.244 51 G HA2 0.184 4.145 3.960 0.001 0.000 0.197 51 G HA3 0.184 4.145 3.960 0.001 0.000 0.197 51 G C 1.025 175.899 174.900 -0.043 0.000 1.531 51 G CA 0.723 45.807 45.100 -0.026 0.000 0.747 51 G HN 0.245 nan 8.290 nan 0.000 0.763 52 c N 0.989 119.561 118.600 -0.046 0.000 2.336 52 c HA -0.122 4.449 4.570 0.001 0.000 0.275 52 c C 2.811 176.822 174.090 -0.132 0.000 1.175 52 c CA 0.719 56.992 56.329 -0.094 0.000 1.771 52 c CB -1.248 41.218 42.510 -0.073 0.000 2.030 52 c HN 0.416 nan 8.230 nan 0.000 0.442 53 I N 2.236 122.743 120.570 -0.105 0.000 2.099 53 I HA -0.123 4.047 4.170 0.001 0.000 0.239 53 I C 0.179 176.208 176.117 -0.147 0.000 1.066 53 I CA 1.917 63.140 61.300 -0.128 0.000 1.324 53 I CB -2.862 35.071 38.000 -0.112 0.000 1.037 53 I HN 0.281 nan 8.210 nan 0.000 0.401 54 P HA -0.102 nan 4.420 nan 0.000 0.218 54 P C 1.605 178.857 177.300 -0.080 0.000 1.149 54 P CA 1.577 64.601 63.100 -0.127 0.000 0.817 54 P CB -0.217 31.423 31.700 -0.099 0.000 0.785 55 T N 0.193 114.711 114.554 -0.060 0.000 2.777 55 T HA -0.079 4.271 4.350 0.001 0.000 0.266 55 T C 1.866 176.553 174.700 -0.022 0.000 1.040 55 T CA 1.493 63.581 62.100 -0.021 0.000 1.141 55 T CB -0.380 68.480 68.868 -0.014 0.000 0.868 55 T HN 0.080 nan 8.240 nan 0.000 0.444 56 K N 1.371 121.716 120.400 -0.092 0.000 2.148 56 K HA 0.171 4.492 4.320 0.001 0.000 0.204 56 K C 2.329 178.959 176.600 0.050 0.000 1.050 56 K CA 0.982 57.219 56.287 -0.083 0.000 0.942 56 K CB -0.561 31.805 32.500 -0.222 0.000 0.724 56 K HN 0.307 nan 8.250 nan 0.000 0.446 57 A N 0.630 123.446 122.820 -0.006 0.000 1.858 57 A HA -0.141 4.180 4.320 0.001 0.000 0.216 57 A C 2.098 179.876 177.584 0.322 0.000 1.190 57 A CA 1.379 53.448 52.037 0.053 0.000 0.617 57 A CB -0.738 18.013 19.000 -0.415 0.000 0.827 57 A HN 0.206 nan 8.150 nan 0.000 0.443 58 L N -0.706 120.616 121.223 0.166 0.000 2.042 58 L HA -0.203 4.138 4.340 0.001 0.000 0.210 58 L C 2.598 179.561 176.870 0.155 0.000 1.076 58 L CA 1.179 56.118 54.840 0.165 0.000 0.749 58 L CB -0.602 41.500 42.059 0.073 0.000 0.893 58 L HN 0.372 nan 8.230 nan 0.000 0.432 59 L N -0.985 120.325 121.223 0.146 0.000 2.083 59 L HA -0.259 4.082 4.340 0.001 0.000 0.209 59 L C 2.668 179.640 176.870 0.171 0.000 1.083 59 L CA 1.171 56.096 54.840 0.142 0.000 0.752 59 L CB -0.609 41.542 42.059 0.153 0.000 0.899 59 L HN 0.331 nan 8.230 nan 0.000 0.433 60 H N -0.101 119.063 119.070 0.157 0.000 2.389 60 H HA -0.081 4.476 4.556 0.001 0.000 0.299 60 H C 2.085 177.477 175.328 0.105 0.000 1.081 60 H CA 1.361 57.500 56.048 0.152 0.000 1.345 60 H CB 0.126 30.019 29.762 0.218 0.000 1.393 60 H HN 0.256 nan 8.280 nan 0.000 0.520 61 A N 0.793 123.615 122.820 0.002 0.000 1.898 61 A HA 0.005 4.326 4.320 0.001 0.000 0.216 61 A C 2.600 180.127 177.584 -0.095 0.000 1.181 61 A CA 1.539 53.499 52.037 -0.128 0.000 0.620 61 A CB -1.261 17.748 19.000 0.016 0.000 0.819 61 A HN 0.602 nan 8.150 nan 0.000 0.442 62 A N -0.100 122.712 122.820 -0.013 0.000 1.902 62 A HA -0.136 4.184 4.320 0.001 0.000 0.217 62 A C 1.977 179.579 177.584 0.031 0.000 1.181 62 A CA 2.114 54.155 52.037 0.007 0.000 0.623 62 A CB -0.467 18.545 19.000 0.021 0.000 0.818 62 A HN 0.557 nan 8.150 nan 0.000 0.443 63 E N -0.127 120.083 120.200 0.017 0.000 2.106 63 E HA -0.113 4.238 4.350 0.001 0.000 0.192 63 E C 1.903 178.534 176.600 0.052 0.000 0.984 63 E CA 2.027 58.466 56.400 0.066 0.000 0.806 63 E CB -0.655 29.080 29.700 0.059 0.000 0.750 63 E HN 0.486 nan 8.360 nan 0.000 0.458 64 T N 1.034 115.524 114.554 -0.106 0.000 2.708 64 T HA -0.141 4.210 4.350 0.001 0.000 0.266 64 T C 1.682 176.378 174.700 -0.007 0.000 1.037 64 T CA 1.300 63.336 62.100 -0.107 0.000 1.146 64 T CB -0.395 68.306 68.868 -0.279 0.000 0.865 64 T HN 0.176 nan 8.240 nan 0.000 0.435 65 L N 0.722 121.936 121.223 -0.015 0.000 2.005 65 L HA -0.048 4.293 4.340 0.001 0.000 0.207 65 L C 2.318 179.214 176.870 0.043 0.000 1.072 65 L CA 2.082 56.924 54.840 0.003 0.000 0.744 65 L CB -0.928 41.130 42.059 -0.001 0.000 0.895 65 L HN 0.321 nan 8.230 nan 0.000 0.433 66 H N -1.504 117.568 119.070 0.004 0.000 2.319 66 H HA -0.276 4.281 4.556 0.001 0.000 0.297 66 H C 2.246 177.597 175.328 0.038 0.000 1.097 66 H CA 2.295 58.355 56.048 0.021 0.000 1.285 66 H CB -0.285 29.501 29.762 0.040 0.000 1.368 66 H HN 0.630 nan 8.280 nan 0.000 0.495 67 H N -0.157 118.889 119.070 -0.040 0.000 2.489 67 H HA -0.054 4.502 4.556 0.001 0.000 0.295 67 H C 2.072 177.311 175.328 -0.149 0.000 1.082 67 H CA 1.291 57.290 56.048 -0.083 0.000 1.295 67 H CB -0.292 29.489 29.762 0.032 0.000 1.380 67 H HN 0.402 nan 8.280 nan 0.000 0.548 68 L N -0.139 120.987 121.223 -0.162 0.000 2.265 68 L HA -0.169 4.171 4.340 0.001 0.000 0.215 68 L C 2.260 178.939 176.870 -0.318 0.000 1.117 68 L CA 1.198 55.903 54.840 -0.225 0.000 0.782 68 L CB -0.250 41.735 42.059 -0.124 0.000 0.914 68 L HN 0.314 nan 8.230 nan 0.000 0.441 69 K N -0.400 119.802 120.400 -0.331 0.000 2.057 69 K HA -0.103 4.218 4.320 0.001 0.000 0.206 69 K C 2.059 178.442 176.600 -0.363 0.000 1.050 69 K CA 1.013 57.114 56.287 -0.309 0.000 0.935 69 K CB -0.192 32.126 32.500 -0.304 0.000 0.715 69 K HN 0.097 nan 8.250 nan 0.000 0.439 70 V N 1.499 121.140 119.914 -0.455 0.000 2.548 70 V HA -0.185 3.936 4.120 0.001 0.000 0.249 70 V C 2.293 177.974 176.094 -0.690 0.000 1.055 70 V CA 1.808 63.839 62.300 -0.449 0.000 1.065 70 V CB -0.472 31.113 31.823 -0.396 0.000 0.681 70 V HN 0.332 nan 8.190 nan 0.000 0.462 71 A N -0.407 121.857 122.820 -0.926 0.000 2.019 71 A HA -0.233 4.087 4.320 0.001 0.000 0.219 71 A C 2.114 179.043 177.584 -1.091 0.000 1.164 71 A CA 1.671 52.816 52.037 -1.486 0.000 0.644 71 A CB -0.414 18.104 19.000 -0.803 0.000 0.805 71 A HN 0.634 nan 8.150 nan 0.000 0.449 72 E N -0.624 119.228 120.200 -0.580 0.000 2.153 72 E HA -0.137 4.213 4.350 0.001 0.000 0.194 72 E C 2.052 178.464 176.600 -0.312 0.000 0.988 72 E CA 0.680 56.870 56.400 -0.350 0.000 0.811 72 E CB -0.341 29.220 29.700 -0.233 0.000 0.746 72 E HN 0.647 nan 8.360 nan 0.000 0.466 73 G N 1.456 110.036 108.800 -0.366 0.000 2.448 73 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 73 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 73 G C 0.988 175.841 174.900 -0.079 0.000 1.127 73 G CA 0.589 45.571 45.100 -0.198 0.000 0.766 73 G HN 0.336 nan 8.290 nan 0.000 0.552 74 F N -1.051 118.867 119.950 -0.052 0.000 2.850 74 F HA 0.596 5.124 4.527 0.001 0.000 0.306 74 F C 1.234 177.018 175.800 -0.028 0.000 1.162 74 F CA -1.707 56.274 58.000 -0.033 0.000 1.327 74 F CB -0.045 38.941 39.000 -0.023 0.000 0.953 74 F HN 0.129 nan 8.300 nan 0.000 0.507 75 G N 0.803 109.639 108.800 0.061 0.000 2.176 75 G HA2 -0.282 3.678 3.960 0.001 0.000 0.253 75 G HA3 -0.282 3.678 3.960 0.001 0.000 0.253 75 G C -0.392 174.522 174.900 0.023 0.000 0.979 75 G CA -0.005 45.127 45.100 0.053 0.000 0.641 75 G HN 0.479 nan 8.290 nan 0.000 0.530 76 L N 1.690 122.885 121.223 -0.048 0.000 2.312 76 L HA 0.692 5.033 4.340 0.001 0.000 0.287 76 L C 0.653 177.464 176.870 -0.098 0.000 1.091 76 L CA 0.260 55.072 54.840 -0.048 0.000 0.846 76 L CB -0.290 41.730 42.059 -0.064 0.000 1.219 76 L HN 0.521 nan 8.230 nan 0.000 0.439 77 K N 3.897 124.265 120.400 -0.053 0.000 2.183 77 K HA 0.938 5.259 4.320 0.001 0.000 0.274 77 K C -0.351 176.220 176.600 -0.048 0.000 1.009 77 K CA 0.074 56.326 56.287 -0.058 0.000 0.888 77 K CB 1.239 33.716 32.500 -0.039 0.000 1.078 77 K HN 1.086 nan 8.250 nan 0.000 0.459 81 P HA 0.025 nan 4.420 nan 0.000 0.268 81 P C -0.888 176.395 177.300 -0.028 0.000 1.204 81 P CA 0.231 63.310 63.100 -0.035 0.000 0.768 81 P CB 1.035 32.711 31.700 -0.040 0.000 0.842 82 E N 2.454 122.638 120.200 -0.027 0.000 2.283 82 E HA 0.325 4.675 4.350 0.001 0.000 0.258 82 E C -1.632 174.954 176.600 -0.024 0.000 0.893 82 E CA -0.871 55.516 56.400 -0.021 0.000 0.798 82 E CB 1.046 30.736 29.700 -0.017 0.000 1.242 82 E HN 0.261 nan 8.360 nan 0.000 0.414 83 L N 4.764 125.974 121.223 -0.022 0.000 2.257 83 L HA 0.341 4.682 4.340 0.001 0.000 0.290 83 L C -0.662 176.199 176.870 -0.016 0.000 1.044 83 L CA -0.253 54.572 54.840 -0.025 0.000 0.810 83 L CB 1.219 43.262 42.059 -0.027 0.000 1.193 83 L HN 0.493 nan 8.230 nan 0.000 0.425 84 D N 4.700 125.092 120.400 -0.014 0.000 2.352 84 D HA 0.080 4.720 4.640 0.001 0.000 0.245 84 D C 1.141 177.443 176.300 0.002 0.000 1.224 84 D CA 0.055 54.053 54.000 -0.004 0.000 0.879 84 D CB 0.755 41.553 40.800 -0.003 0.000 1.057 84 D HN 0.639 nan 8.370 nan 0.000 0.491 85 L N 3.466 124.691 121.223 0.002 0.000 2.131 85 L HA -0.153 4.188 4.340 0.001 0.000 0.210 85 L C 2.311 179.191 176.870 0.016 0.000 1.092 85 L CA 0.904 55.746 54.840 0.004 0.000 0.759 85 L CB -0.159 41.898 42.059 -0.004 0.000 0.903 85 L HN 0.315 nan 8.230 nan 0.000 0.435 86 K N 0.315 120.725 120.400 0.016 0.000 2.057 86 K HA -0.196 4.125 4.320 0.001 0.000 0.206 86 K C 2.156 178.777 176.600 0.035 0.000 1.050 86 K CA 1.139 57.438 56.287 0.021 0.000 0.935 86 K CB -0.048 32.462 32.500 0.016 0.000 0.715 86 K HN 0.052 nan 8.250 nan 0.000 0.439 87 K N 1.245 121.666 120.400 0.036 0.000 2.097 87 K HA -0.128 4.193 4.320 0.001 0.000 0.205 87 K C 2.007 178.665 176.600 0.097 0.000 1.050 87 K CA 0.679 56.997 56.287 0.052 0.000 0.938 87 K CB -0.130 32.386 32.500 0.026 0.000 0.718 87 K HN -0.014 nan 8.250 nan 0.000 0.442 88 L N 0.333 121.608 121.223 0.087 0.000 2.017 88 L HA 0.024 4.365 4.340 0.001 0.000 0.208 88 L C 2.088 179.074 176.870 0.194 0.000 1.073 88 L CA 2.412 57.345 54.840 0.156 0.000 0.745 88 L CB -1.209 40.908 42.059 0.095 0.000 0.894 88 L HN 0.271 nan 8.230 nan 0.000 0.432 89 G N -1.101 107.758 108.800 0.098 0.000 2.422 89 G HA2 -0.197 3.764 3.960 0.001 0.000 0.218 89 G HA3 -0.197 3.764 3.960 0.001 0.000 0.218 89 G C 1.501 176.437 174.900 0.060 0.000 1.146 89 G CA 0.591 45.725 45.100 0.057 0.000 0.769 89 G HN 0.622 nan 8.290 nan 0.000 0.547 90 G N -0.065 108.786 108.800 0.086 0.000 2.418 90 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 90 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 90 G C 1.568 176.541 174.900 0.122 0.000 1.158 90 G CA 0.949 46.097 45.100 0.081 0.000 0.771 90 G HN 0.479 nan 8.290 nan 0.000 0.545 91 W N 1.575 122.872 121.300 -0.006 0.000 2.358 91 W HA -0.025 4.635 4.660 0.001 0.000 0.303 91 W C 2.646 179.164 176.519 -0.003 0.000 1.208 91 W CA 1.480 58.825 57.345 -0.000 0.000 1.274 91 W CB -0.245 29.221 29.460 0.009 0.000 1.138 91 W HN 0.121 nan 8.180 nan 0.000 0.515 92 R N 0.462 120.887 120.500 -0.124 0.000 2.083 92 R HA -0.204 4.137 4.340 0.001 0.000 0.237 92 R C 1.723 177.857 176.300 -0.275 0.000 1.137 92 R CA 2.351 58.248 56.100 -0.339 0.000 0.951 92 R CB -0.884 29.341 30.300 -0.125 0.000 0.851 92 R HN 0.089 nan 8.270 nan 0.000 0.434 93 D N 0.229 120.545 120.400 -0.140 0.000 2.144 93 D HA -0.201 4.439 4.640 0.001 0.000 0.199 93 D C 1.859 178.084 176.300 -0.126 0.000 0.984 93 D CA 1.037 54.971 54.000 -0.110 0.000 0.834 93 D CB -0.262 40.504 40.800 -0.057 0.000 0.955 93 D HN 0.436 nan 8.370 nan 0.000 0.465 94 Q N 0.504 120.226 119.800 -0.129 0.000 2.084 94 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 94 Q C 2.128 178.024 176.000 -0.173 0.000 0.978 94 Q CA 1.031 56.770 55.803 -0.107 0.000 0.844 94 Q CB 0.157 28.876 28.738 -0.031 0.000 0.898 94 Q HN 0.089 nan 8.270 nan 0.000 0.426 95 V N 0.072 119.785 119.914 -0.334 0.000 2.295 95 V HA -0.244 3.876 4.120 0.001 0.000 0.246 95 V C 2.358 178.318 176.094 -0.223 0.000 1.049 95 V CA 1.507 63.602 62.300 -0.341 0.000 1.024 95 V CB -0.454 31.010 31.823 -0.597 0.000 0.648 95 V HN 0.248 nan 8.190 nan 0.000 0.447 96 V N 0.005 119.790 119.914 -0.215 0.000 2.287 96 V HA -0.325 3.796 4.120 0.001 0.000 0.248 96 V C 2.430 178.457 176.094 -0.111 0.000 1.053 96 V CA 2.491 64.702 62.300 -0.147 0.000 1.027 96 V CB -0.703 31.042 31.823 -0.131 0.000 0.646 96 V HN 0.564 nan 8.190 nan 0.000 0.447 97 K N -0.146 120.192 120.400 -0.103 0.000 2.097 97 K HA -0.231 4.090 4.320 0.001 0.000 0.206 97 K C 2.387 178.942 176.600 -0.075 0.000 1.049 97 K CA 1.322 57.562 56.287 -0.078 0.000 0.933 97 K CB -0.125 32.337 32.500 -0.064 0.000 0.717 97 K HN 0.158 nan 8.250 nan 0.000 0.442 98 K N 1.171 121.523 120.400 -0.081 0.000 2.026 98 K HA -0.105 4.215 4.320 0.001 0.000 0.208 98 K C 2.076 178.630 176.600 -0.076 0.000 1.048 98 K CA 1.337 57.583 56.287 -0.069 0.000 0.929 98 K CB -0.327 32.135 32.500 -0.065 0.000 0.713 98 K HN 0.232 nan 8.250 nan 0.000 0.439 99 L N 0.578 121.748 121.223 -0.087 0.000 2.109 99 L HA -0.139 4.201 4.340 0.001 0.000 0.207 99 L C 2.496 179.301 176.870 -0.108 0.000 1.086 99 L CA 1.728 56.515 54.840 -0.089 0.000 0.760 99 L CB -0.794 41.218 42.059 -0.079 0.000 0.910 99 L HN 0.293 nan 8.230 nan 0.000 0.437 100 T N -3.332 111.163 114.554 -0.098 0.000 2.857 100 T HA -0.067 4.284 4.350 0.001 0.000 0.266 100 T C 1.949 176.583 174.700 -0.111 0.000 1.048 100 T CA 0.927 62.963 62.100 -0.105 0.000 1.139 100 T CB -0.802 68.020 68.868 -0.077 0.000 0.874 100 T HN 0.349 nan 8.240 nan 0.000 0.455 101 G N 1.166 109.912 108.800 -0.090 0.000 2.422 101 G HA2 0.101 4.062 3.960 0.001 0.000 0.218 101 G HA3 0.101 4.062 3.960 0.001 0.000 0.218 101 G C 1.694 176.537 174.900 -0.096 0.000 1.146 101 G CA 0.604 45.656 45.100 -0.080 0.000 0.769 101 G HN 0.652 nan 8.290 nan 0.000 0.547 102 G N 0.461 109.197 108.800 -0.106 0.000 2.418 102 G HA2 -0.142 3.819 3.960 0.001 0.000 0.217 102 G HA3 -0.142 3.819 3.960 0.001 0.000 0.217 102 G C 1.739 176.537 174.900 -0.170 0.000 1.158 102 G CA 1.166 46.197 45.100 -0.116 0.000 0.771 102 G HN 0.317 nan 8.290 nan 0.000 0.545 103 V N 1.458 121.226 119.914 -0.243 0.000 2.427 103 V HA -0.037 4.083 4.120 0.001 0.000 0.248 103 V C 3.097 179.043 176.094 -0.247 0.000 1.051 103 V CA 1.829 63.897 62.300 -0.386 0.000 1.048 103 V CB -0.865 30.616 31.823 -0.570 0.000 0.666 103 V HN 0.434 nan 8.190 nan 0.000 0.456 104 G N 0.444 109.144 108.800 -0.166 0.000 2.422 104 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 104 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 104 G C 1.773 176.618 174.900 -0.092 0.000 1.146 104 G CA 1.616 46.649 45.100 -0.111 0.000 0.769 104 G HN 0.578 nan 8.290 nan 0.000 0.547 105 T N -0.786 113.713 114.554 -0.092 0.000 2.904 105 T HA 0.051 4.401 4.350 0.001 0.000 0.267 105 T C 2.254 176.911 174.700 -0.072 0.000 1.059 105 T CA 0.786 62.844 62.100 -0.070 0.000 1.137 105 T CB -0.144 68.687 68.868 -0.063 0.000 0.879 105 T HN -0.003 nan 8.240 nan 0.000 0.467 106 L N 0.701 121.864 121.223 -0.099 0.000 2.072 106 L HA 0.277 4.617 4.340 0.001 0.000 0.205 106 L C 2.549 179.376 176.870 -0.072 0.000 1.079 106 L CA 1.171 55.956 54.840 -0.092 0.000 0.752 106 L CB -0.968 41.012 42.059 -0.132 0.000 0.906 106 L HN 0.298 nan 8.230 nan 0.000 0.436 107 L N -0.772 120.403 121.223 -0.081 0.000 2.017 107 L HA -0.254 4.086 4.340 0.001 0.000 0.208 107 L C 2.549 179.397 176.870 -0.037 0.000 1.073 107 L CA 1.530 56.339 54.840 -0.051 0.000 0.745 107 L CB -0.506 41.520 42.059 -0.055 0.000 0.894 107 L HN 0.252 nan 8.230 nan 0.000 0.432 108 K N 0.222 120.598 120.400 -0.039 0.000 2.097 108 K HA -0.103 4.217 4.320 0.001 0.000 0.205 108 K C 1.988 178.575 176.600 -0.021 0.000 1.050 108 K CA 1.243 57.515 56.287 -0.025 0.000 0.938 108 K CB -0.251 32.234 32.500 -0.026 0.000 0.718 108 K HN 0.270 nan 8.250 nan 0.000 0.442 109 G N 0.433 109.216 108.800 -0.028 0.000 2.471 109 G HA2 -0.187 3.773 3.960 0.001 0.000 0.219 109 G HA3 -0.187 3.773 3.960 0.001 0.000 0.219 109 G C 1.188 176.077 174.900 -0.019 0.000 1.125 109 G CA 0.464 45.549 45.100 -0.024 0.000 0.775 109 G HN 0.310 nan 8.290 nan 0.000 0.548 110 N N 0.401 119.089 118.700 -0.020 0.000 2.280 110 N HA 0.078 4.818 4.740 0.001 0.000 0.192 110 N C 1.597 177.105 175.510 -0.004 0.000 1.109 110 N CA 0.783 53.825 53.050 -0.013 0.000 0.855 110 N CB 0.529 39.006 38.487 -0.017 0.000 0.974 110 N HN 0.360 nan 8.380 nan 0.000 0.482 111 G N 0.631 109.430 108.800 -0.001 0.000 2.136 111 G HA2 -0.250 3.710 3.960 0.001 0.000 0.242 111 G HA3 -0.250 3.710 3.960 0.001 0.000 0.242 111 G C 0.036 174.947 174.900 0.018 0.000 0.989 111 G CA 0.031 45.138 45.100 0.011 0.000 0.682 111 G HN 0.153 nan 8.290 nan 0.000 0.522 112 V N 0.619 120.535 119.914 0.004 0.000 2.583 112 V HA 0.435 4.555 4.120 0.001 0.000 0.287 112 V C 0.773 176.864 176.094 -0.006 0.000 1.051 112 V CA -0.132 62.166 62.300 -0.002 0.000 1.010 112 V CB 1.787 33.600 31.823 -0.018 0.000 0.988 112 V HN 0.456 nan 8.190 nan 0.000 0.478 113 E N 3.687 123.881 120.200 -0.011 0.000 2.167 113 E HA 0.407 4.758 4.350 0.001 0.000 0.284 113 E C -1.169 175.388 176.600 -0.072 0.000 1.016 113 E CA -0.737 55.656 56.400 -0.011 0.000 0.817 113 E CB 1.338 31.068 29.700 0.050 0.000 1.080 113 E HN 0.533 nan 8.360 nan 0.000 0.397 114 L N 6.220 127.412 121.223 -0.052 0.000 2.272 114 L HA 0.409 4.750 4.340 0.001 0.000 0.289 114 L C -1.646 175.182 176.870 -0.071 0.000 1.032 114 L CA -0.688 54.110 54.840 -0.071 0.000 0.810 114 L CB 1.333 43.361 42.059 -0.052 0.000 1.205 114 L HN 0.588 nan 8.230 nan 0.000 0.422 115 L N 5.592 126.747 121.223 -0.113 0.000 2.333 115 L HA 0.640 4.981 4.340 0.001 0.000 0.280 115 L C -0.871 175.940 176.870 -0.098 0.000 1.004 115 L CA -0.370 54.402 54.840 -0.113 0.000 0.820 115 L CB 1.094 43.020 42.059 -0.222 0.000 1.247 115 L HN 0.521 nan 8.230 nan 0.000 0.416 116 R N 4.109 124.577 120.500 -0.053 0.000 2.297 116 R HA 0.887 5.228 4.340 0.001 0.000 0.308 116 R C 0.020 176.310 176.300 -0.016 0.000 1.029 116 R CA -0.251 55.830 56.100 -0.033 0.000 0.929 116 R CB 0.921 31.213 30.300 -0.013 0.000 1.046 116 R HN 0.958 nan 8.270 nan 0.000 0.461 117 G N 1.354 110.152 108.800 -0.003 0.000 2.352 117 G HA2 0.089 4.050 3.960 0.001 0.000 0.302 117 G HA3 0.089 4.050 3.960 0.001 0.000 0.302 117 G C -1.964 172.979 174.900 0.071 0.000 1.370 117 G CA -0.998 44.129 45.100 0.044 0.000 0.918 117 G HN 0.309 nan 8.290 nan 0.000 0.610 118 F N 2.024 121.958 119.950 -0.027 0.000 2.371 118 F HA 0.680 5.207 4.527 0.001 0.000 0.363 118 F C 0.726 176.511 175.800 -0.024 0.000 1.122 118 F CA 0.038 58.023 58.000 -0.024 0.000 1.129 118 F CB 0.915 39.907 39.000 -0.013 0.000 1.173 118 F HN 0.790 nan 8.300 nan 0.000 0.489 119 A N 7.268 129.867 122.820 -0.368 0.000 2.327 119 A HA 0.751 5.071 4.320 0.001 0.000 0.283 119 A C -0.343 177.088 177.584 -0.256 0.000 1.127 119 A CA -0.549 51.343 52.037 -0.243 0.000 0.810 119 A CB 0.523 19.373 19.000 -0.250 0.000 1.066 119 A HN 0.862 nan 8.150 nan 0.000 0.492 120 R N 1.616 122.085 120.500 -0.051 0.000 2.533 120 R HA 0.393 4.734 4.340 0.001 0.000 0.288 120 R C -1.647 174.668 176.300 0.025 0.000 1.039 120 R CA -0.891 55.216 56.100 0.012 0.000 0.909 120 R CB 1.529 31.906 30.300 0.128 0.000 1.195 120 R HN 0.571 nan 8.270 nan 0.000 0.438 121 L N 2.290 123.521 121.223 0.013 0.000 2.439 121 L HA 0.087 4.428 4.340 0.001 0.000 0.269 121 L C 1.303 178.196 176.870 0.038 0.000 1.179 121 L CA 0.441 55.295 54.840 0.024 0.000 0.828 121 L CB 1.175 43.242 42.059 0.013 0.000 1.106 121 L HN 0.637 nan 8.230 nan 0.000 0.467 122 V N -1.548 118.391 119.914 0.042 0.000 3.432 122 V HA 0.767 4.887 4.120 0.001 0.000 0.298 122 V C 0.472 176.585 176.094 0.031 0.000 1.464 122 V CA 0.467 62.791 62.300 0.040 0.000 1.046 122 V CB -0.019 31.832 31.823 0.046 0.000 0.887 122 V HN 0.797 nan 8.190 nan 0.000 0.441 123 G N -0.459 108.359 108.800 0.030 0.000 2.506 123 G HA2 0.510 4.470 3.960 0.001 0.000 0.292 123 G HA3 0.510 4.470 3.960 0.001 0.000 0.292 123 G C -2.845 172.068 174.900 0.021 0.000 1.425 123 G CA -0.235 44.879 45.100 0.024 0.000 0.788 123 G HN -0.103 nan 8.290 nan 0.000 0.490 124 P HA -0.041 nan 4.420 nan 0.000 0.217 124 P C 0.889 178.199 177.300 0.016 0.000 1.148 124 P CA 1.378 64.484 63.100 0.009 0.000 0.828 124 P CB 0.280 31.982 31.700 0.004 0.000 0.783 125 K N -1.165 119.252 120.400 0.027 0.000 2.619 125 K HA 0.250 4.571 4.320 0.001 0.000 0.201 125 K C -0.163 176.472 176.600 0.058 0.000 1.090 125 K CA 0.032 56.344 56.287 0.042 0.000 1.063 125 K CB 1.155 33.680 32.500 0.041 0.000 0.810 125 K HN 0.239 nan 8.250 nan 0.000 0.506 126 E N 0.745 120.978 120.200 0.056 0.000 2.272 126 E HA 0.427 4.777 4.350 0.001 0.000 0.269 126 E C -1.294 175.353 176.600 0.078 0.000 0.877 126 E CA -0.695 55.750 56.400 0.075 0.000 0.755 126 E CB 2.046 31.782 29.700 0.061 0.000 1.192 126 E HN -0.214 nan 8.360 nan 0.000 0.422 127 V N 2.833 122.817 119.914 0.116 0.000 2.769 127 V HA 0.423 4.544 4.120 0.001 0.000 0.312 127 V C -0.622 175.577 176.094 0.174 0.000 1.061 127 V CA -0.809 61.554 62.300 0.105 0.000 0.931 127 V CB 1.887 33.745 31.823 0.059 0.000 1.010 127 V HN 0.742 nan 8.190 nan 0.000 0.433 128 E N 2.096 122.377 120.200 0.135 0.000 2.176 128 E HA 0.740 5.091 4.350 0.001 0.000 0.267 128 E C -1.627 175.068 176.600 0.158 0.000 0.893 128 E CA -0.302 56.200 56.400 0.170 0.000 0.761 128 E CB 1.996 31.765 29.700 0.116 0.000 1.133 128 E HN 0.482 nan 8.360 nan 0.000 0.409 135 G N -0.277 108.587 108.800 0.107 0.000 2.176 135 G HA2 -0.233 3.727 3.960 0.001 0.000 0.253 135 G HA3 -0.233 3.727 3.960 0.001 0.000 0.253 135 G C 0.061 175.005 174.900 0.073 0.000 0.979 135 G CA 0.560 45.708 45.100 0.079 0.000 0.641 135 G HN 0.551 nan 8.290 nan 0.000 0.530 136 E N 0.281 120.550 120.200 0.115 0.000 2.222 136 E HA 0.618 4.968 4.350 0.001 0.000 0.272 136 E C 0.236 176.852 176.600 0.027 0.000 0.982 136 E CA -0.750 55.668 56.400 0.029 0.000 0.842 136 E CB 1.041 30.740 29.700 -0.001 0.000 1.144 136 E HN 0.207 nan 8.360 nan 0.000 0.397 137 R N 1.555 121.963 120.500 -0.153 0.000 2.474 137 R HA 0.463 4.804 4.340 0.001 0.000 0.295 137 R C -0.729 175.393 176.300 -0.297 0.000 0.980 137 R CA -0.651 55.404 56.100 -0.075 0.000 0.934 137 R CB 0.519 30.796 30.300 -0.039 0.000 1.101 137 R HN 0.471 nan 8.270 nan 0.000 0.469 138 Y N -0.952 119.393 120.300 0.076 0.000 2.442 138 Y HA 0.592 5.143 4.550 0.001 0.000 0.344 138 Y C 0.702 176.670 175.900 0.113 0.000 0.976 138 Y CA -0.877 57.300 58.100 0.128 0.000 1.040 138 Y CB 2.602 41.146 38.460 0.141 0.000 1.228 138 Y HN 0.729 nan 8.280 nan 0.000 0.451 139 G N 0.526 109.482 108.800 0.260 0.000 2.533 139 G HA2 0.879 4.839 3.960 0.001 0.000 0.304 139 G HA3 0.879 4.839 3.960 0.001 0.000 0.304 139 G C -1.587 173.438 174.900 0.210 0.000 1.263 139 G CA -0.728 44.479 45.100 0.179 0.000 0.964 139 G HN 0.894 nan 8.290 nan 0.000 0.479 140 A N 0.225 123.136 122.820 0.152 0.000 2.601 140 A HA 0.672 4.993 4.320 0.001 0.000 0.291 140 A C 0.470 178.115 177.584 0.102 0.000 1.075 140 A CA -0.542 51.584 52.037 0.150 0.000 0.671 140 A CB 1.038 20.144 19.000 0.176 0.000 1.277 140 A HN 0.567 nan 8.150 nan 0.000 0.417 141 K N 0.076 120.533 120.400 0.096 0.000 2.167 141 K HA 0.157 4.478 4.320 0.001 0.000 0.203 141 K C 0.124 176.779 176.600 0.091 0.000 1.052 141 K CA 1.355 57.689 56.287 0.079 0.000 0.956 141 K CB 0.067 32.611 32.500 0.073 0.000 0.735 141 K HN 0.469 nan 8.250 nan 0.000 0.451 142 S N 0.394 116.161 115.700 0.112 0.000 2.536 142 S HA 0.525 4.995 4.470 0.001 0.000 0.287 142 S C -0.937 173.743 174.600 0.133 0.000 1.101 142 S CA -0.853 57.437 58.200 0.150 0.000 0.950 142 S CB 1.834 65.156 63.200 0.202 0.000 1.056 142 S HN 0.038 nan 8.310 nan 0.000 0.481 143 L N 2.698 124.009 121.223 0.146 0.000 2.381 143 L HA 0.659 5.000 4.340 0.001 0.000 0.268 143 L C -1.139 175.825 176.870 0.156 0.000 0.997 143 L CA -0.670 54.232 54.840 0.104 0.000 0.818 143 L CB 1.671 43.764 42.059 0.058 0.000 1.310 143 L HN 0.522 nan 8.230 nan 0.000 0.416 144 I N 3.827 124.454 120.570 0.095 0.000 2.439 144 I HA 0.323 4.493 4.170 0.001 0.000 0.285 144 I C -0.672 175.467 176.117 0.037 0.000 1.021 144 I CA -0.432 60.928 61.300 0.100 0.000 1.091 144 I CB 1.944 39.973 38.000 0.049 0.000 1.242 144 I HN 0.371 nan 8.210 nan 0.000 0.439 145 L N 6.547 127.795 121.223 0.042 0.000 2.268 145 L HA 0.528 4.869 4.340 0.001 0.000 0.289 145 L C 0.608 177.477 176.870 -0.001 0.000 1.064 145 L CA -0.160 54.681 54.840 0.002 0.000 0.824 145 L CB 0.940 43.001 42.059 0.004 0.000 1.202 145 L HN 0.710 nan 8.230 nan 0.000 0.433 146 A N 1.243 124.050 122.820 -0.023 0.000 3.105 146 A HA 0.268 4.589 4.320 0.001 0.000 0.297 146 A C 1.114 178.678 177.584 -0.033 0.000 0.977 146 A CA -0.247 51.777 52.037 -0.022 0.000 1.020 146 A CB -0.169 18.817 19.000 -0.023 0.000 1.098 146 A HN 0.732 nan 8.150 nan 0.000 0.497 147 T N -2.938 111.594 114.554 -0.038 0.000 3.118 147 T HA 0.393 4.744 4.350 0.001 0.000 0.260 147 T C 1.375 176.064 174.700 -0.019 0.000 1.139 147 T CA 1.030 63.102 62.100 -0.046 0.000 1.085 147 T CB -0.401 68.428 68.868 -0.064 0.000 0.934 147 T HN 1.987 nan 8.240 nan 0.000 0.518 148 G N 1.530 110.325 108.800 -0.008 0.000 2.569 148 G HA2 -0.086 3.875 3.960 0.001 0.000 0.259 148 G HA3 -0.086 3.875 3.960 0.001 0.000 0.259 148 G C -0.013 174.889 174.900 0.004 0.000 1.263 148 G CA 0.242 45.343 45.100 0.003 0.000 0.928 148 G HN 1.581 nan 8.290 nan 0.000 0.572 149 S N -0.934 114.770 115.700 0.007 0.000 2.806 149 S HA 0.855 5.326 4.470 0.001 0.000 0.306 149 S C -0.601 173.999 174.600 0.000 0.000 1.167 149 S CA 0.379 58.578 58.200 -0.002 0.000 0.847 149 S CB 2.409 65.618 63.200 0.014 0.000 1.216 149 S HN 1.793 nan 8.310 nan 0.000 0.532 150 E N -0.893 119.306 120.200 -0.002 0.000 2.449 150 E HA 0.599 4.950 4.350 0.001 0.000 0.278 150 E C -3.392 173.213 176.600 0.009 0.000 0.992 150 E CA -2.589 53.808 56.400 -0.005 0.000 0.807 150 E CB 1.022 30.720 29.700 -0.004 0.000 1.350 150 E HN 0.282 nan 8.360 nan 0.000 0.462 151 P HA 0.016 nan 4.420 nan 0.000 0.265 151 P C -0.794 176.601 177.300 0.157 0.000 1.193 151 P CA -0.282 62.840 63.100 0.036 0.000 0.765 151 P CB 0.273 31.900 31.700 -0.122 0.000 0.823 152 L N 3.299 124.632 121.223 0.183 0.000 2.331 152 L HA 0.237 4.578 4.340 0.001 0.000 0.278 152 L C 0.448 177.465 176.870 0.244 0.000 1.106 152 L CA -0.154 54.790 54.840 0.172 0.000 0.824 152 L CB 0.051 42.167 42.059 0.096 0.000 1.142 152 L HN 0.330 nan 8.230 nan 0.000 0.443 153 E N 3.394 123.703 120.200 0.181 0.000 2.366 153 E HA 0.287 4.637 4.350 0.001 0.000 0.266 153 E C -1.391 175.172 176.600 -0.062 0.000 1.051 153 E CA -0.655 55.731 56.400 -0.024 0.000 0.884 153 E CB 1.088 30.783 29.700 -0.009 0.000 1.006 153 E HN 0.598 nan 8.360 nan 0.000 0.417 154 L N 4.243 125.382 121.223 -0.140 0.000 2.325 154 L HA 0.305 4.645 4.340 0.001 0.000 0.281 154 L C -0.512 176.395 176.870 0.061 0.000 1.004 154 L CA -0.406 54.433 54.840 -0.001 0.000 0.823 154 L CB 1.296 43.370 42.059 0.026 0.000 1.236 154 L HN 0.465 nan 8.230 nan 0.000 0.415 155 K N 4.243 124.678 120.400 0.059 0.000 2.504 155 K HA 0.280 4.600 4.320 0.001 0.000 0.278 155 K C 1.008 177.634 176.600 0.043 0.000 1.025 155 K CA 1.332 57.641 56.287 0.036 0.000 1.093 155 K CB -0.026 32.492 32.500 0.030 0.000 0.873 155 K HN 1.007 nan 8.250 nan 0.000 0.483 156 G N 3.734 112.492 108.800 -0.069 0.000 2.195 156 G HA2 -0.246 3.714 3.960 0.001 0.000 0.246 156 G HA3 -0.246 3.714 3.960 0.001 0.000 0.246 156 G C -0.059 174.525 174.900 -0.526 0.000 0.984 156 G CA 0.080 45.011 45.100 -0.282 0.000 0.633 156 G HN 0.577 nan 8.290 nan 0.000 0.525 157 F N 2.399 122.350 119.950 0.001 0.000 2.593 157 F HA 0.369 4.896 4.527 0.001 0.000 0.336 157 F C -1.971 173.712 175.800 -0.194 0.000 1.491 157 F CA -1.891 56.085 58.000 -0.040 0.000 1.114 157 F CB 1.628 40.544 39.000 -0.140 0.000 1.468 157 F HN -0.080 nan 8.300 nan 0.000 0.579 158 P HA 0.004 nan 4.420 nan 0.000 0.268 158 P C -0.243 177.039 177.300 -0.031 0.000 1.204 158 P CA 0.022 63.080 63.100 -0.071 0.000 0.768 158 P CB 0.709 32.420 31.700 0.019 0.000 0.842 159 F N 1.994 122.015 119.950 0.119 0.000 2.578 159 F HA 0.419 4.946 4.527 0.001 0.000 0.376 159 F C 1.675 177.546 175.800 0.120 0.000 1.085 159 F CA 1.517 59.588 58.000 0.118 0.000 1.260 159 F CB -0.091 38.967 39.000 0.096 0.000 1.095 159 F HN 0.529 nan 8.300 nan 0.000 0.573 160 G N 2.094 111.102 108.800 0.345 0.000 2.664 160 G HA2 0.272 4.232 3.960 0.001 0.000 0.303 160 G HA3 0.272 4.232 3.960 0.001 0.000 0.303 160 G C -0.018 175.046 174.900 0.274 0.000 1.243 160 G CA -0.464 44.785 45.100 0.249 0.000 0.826 160 G HN 0.346 nan 8.290 nan 0.000 0.498 161 E N -0.186 120.146 120.200 0.220 0.000 2.153 161 E HA -0.053 4.297 4.350 0.001 0.000 0.194 161 E C 1.326 178.094 176.600 0.279 0.000 0.988 161 E CA 2.067 58.615 56.400 0.247 0.000 0.811 161 E CB 0.126 29.928 29.700 0.171 0.000 0.746 161 E HN 0.385 nan 8.360 nan 0.000 0.466 162 D N -1.138 119.346 120.400 0.139 0.000 2.389 162 D HA 0.072 4.713 4.640 0.001 0.000 0.206 162 D C -0.458 175.697 176.300 -0.240 0.000 1.055 162 D CA 0.122 54.081 54.000 -0.068 0.000 0.856 162 D CB 1.049 41.825 40.800 -0.041 0.000 0.957 162 D HN -0.039 nan 8.370 nan 0.000 0.509 163 V N 2.611 122.519 119.914 -0.010 0.000 2.326 163 V HA 0.194 4.315 4.120 0.001 0.000 0.281 163 V C -0.544 175.778 176.094 0.381 0.000 1.015 163 V CA -0.886 61.428 62.300 0.023 0.000 0.823 163 V CB 1.119 32.972 31.823 0.049 0.000 1.009 163 V HN -0.000 nan 8.190 nan 0.000 0.436 164 W N 2.999 124.369 121.300 0.117 0.000 2.359 164 W HA 0.572 5.233 4.660 0.001 0.000 0.344 164 W C 0.251 176.866 176.519 0.160 0.000 1.170 164 W CA -1.195 56.214 57.345 0.107 0.000 1.296 164 W CB 0.881 30.333 29.460 -0.013 0.000 1.197 164 W HN 0.671 nan 8.180 nan 0.000 0.618 165 D N -1.379 119.105 120.400 0.139 0.000 2.494 165 D HA 0.221 4.861 4.640 0.001 0.000 0.259 165 D C 1.059 177.343 176.300 -0.027 0.000 1.109 165 D CA -0.482 53.448 54.000 -0.118 0.000 1.040 165 D CB 0.382 40.694 40.800 -0.813 0.000 1.175 165 D HN 0.202 nan 8.370 nan 0.000 0.584 166 S N -0.628 115.051 115.700 -0.035 0.000 2.383 166 S HA -0.207 4.264 4.470 0.001 0.000 0.229 166 S C 1.736 176.309 174.600 -0.046 0.000 1.030 166 S CA 1.672 59.868 58.200 -0.006 0.000 1.002 166 S CB -1.184 62.018 63.200 0.003 0.000 0.829 166 S HN 0.609 nan 8.310 nan 0.000 0.467 167 T N 2.141 116.634 114.554 -0.102 0.000 2.708 167 T HA -0.069 4.282 4.350 0.001 0.000 0.266 167 T C 1.939 176.547 174.700 -0.154 0.000 1.037 167 T CA 1.738 63.768 62.100 -0.116 0.000 1.146 167 T CB -0.348 68.440 68.868 -0.133 0.000 0.865 167 T HN 0.439 nan 8.240 nan 0.000 0.435 168 R N 1.893 122.264 120.500 -0.215 0.000 2.092 168 R HA 0.146 4.486 4.340 0.001 0.000 0.231 168 R C 2.335 178.364 176.300 -0.452 0.000 1.119 168 R CA 1.633 57.505 56.100 -0.381 0.000 0.970 168 R CB -1.026 28.962 30.300 -0.520 0.000 0.864 168 R HN 0.326 nan 8.270 nan 0.000 0.440 169 A N 0.551 123.237 122.820 -0.223 0.000 2.024 169 A HA -0.088 4.233 4.320 0.001 0.000 0.220 169 A C 2.176 179.826 177.584 0.110 0.000 1.164 169 A CA 1.409 53.444 52.037 -0.005 0.000 0.643 169 A CB -0.596 18.500 19.000 0.160 0.000 0.806 169 A HN 0.383 nan 8.150 nan 0.000 0.451 170 L N -0.856 120.368 121.223 0.001 0.000 2.201 170 L HA -0.114 4.226 4.340 0.001 0.000 0.212 170 L C 0.832 177.682 176.870 -0.033 0.000 1.105 170 L CA 0.940 55.782 54.840 0.004 0.000 0.775 170 L CB -0.318 41.721 42.059 -0.034 0.000 0.913 170 L HN 0.267 nan 8.230 nan 0.000 0.440 171 K N 0.955 121.297 120.400 -0.096 0.000 2.449 171 K HA 0.031 4.351 4.320 0.001 0.000 0.237 171 K C 1.391 177.945 176.600 -0.076 0.000 1.265 171 K CA -0.219 56.006 56.287 -0.104 0.000 1.193 171 K CB 0.164 32.568 32.500 -0.159 0.000 1.515 171 K HN 0.155 nan 8.250 nan 0.000 0.259 172 V N -1.005 118.881 119.914 -0.046 0.000 2.867 172 V HA -0.168 3.952 4.120 0.001 0.000 0.260 172 V C 1.116 177.195 176.094 -0.025 0.000 1.099 172 V CA 1.003 63.267 62.300 -0.059 0.000 1.122 172 V CB -0.622 31.104 31.823 -0.162 0.000 0.708 172 V HN 0.529 nan 8.190 nan 0.000 0.490 173 E N 2.489 122.676 120.200 -0.021 0.000 2.222 173 E HA 0.257 4.607 4.350 0.001 0.000 0.312 173 E C 0.442 177.044 176.600 0.004 0.000 1.263 173 E CA 0.307 56.705 56.400 -0.004 0.000 1.356 173 E CB -0.156 29.542 29.700 -0.003 0.000 1.180 173 E HN 0.536 nan 8.360 nan 0.000 0.494 174 G N 2.983 111.832 108.800 0.083 0.000 2.320 174 G HA2 0.369 4.330 3.960 0.001 0.000 0.300 174 G HA3 0.369 4.330 3.960 0.001 0.000 0.300 174 G C -0.175 174.855 174.900 0.217 0.000 1.126 174 G CA -0.678 44.499 45.100 0.127 0.000 0.896 174 G HN 0.367 nan 8.290 nan 0.000 0.436 175 L N 4.598 125.934 121.223 0.189 0.000 2.305 175 L HA 0.337 4.678 4.340 0.001 0.000 0.281 175 L C -1.442 175.577 176.870 0.248 0.000 1.085 175 L CA -1.228 53.775 54.840 0.272 0.000 0.813 175 L CB 1.336 43.484 42.059 0.148 0.000 1.157 175 L HN 0.430 nan 8.230 nan 0.000 0.436 176 P HA 0.192 nan 4.420 nan 0.000 0.274 176 P C 0.041 177.395 177.300 0.090 0.000 1.231 176 P CA -0.558 62.615 63.100 0.122 0.000 0.790 176 P CB 1.286 32.974 31.700 -0.020 0.000 0.951 177 K N 1.523 121.948 120.400 0.043 0.000 2.097 177 K HA -0.019 4.301 4.320 0.001 0.000 0.205 177 K C 0.793 177.400 176.600 0.013 0.000 1.050 177 K CA 1.200 57.507 56.287 0.032 0.000 0.938 177 K CB -0.012 32.498 32.500 0.017 0.000 0.718 177 K HN 0.533 nan 8.250 nan 0.000 0.442 178 R N 0.330 120.815 120.500 -0.024 0.000 2.532 178 R HA 0.392 4.732 4.340 0.001 0.000 0.297 178 R C -1.188 175.047 176.300 -0.108 0.000 0.984 178 R CA -0.652 55.417 56.100 -0.052 0.000 0.884 178 R CB 1.665 31.927 30.300 -0.063 0.000 1.182 178 R HN -0.097 nan 8.270 nan 0.000 0.442 179 L N 3.448 124.606 121.223 -0.109 0.000 2.365 179 L HA 0.587 4.927 4.340 0.001 0.000 0.273 179 L C -1.709 175.060 176.870 -0.167 0.000 1.000 179 L CA -0.914 53.810 54.840 -0.194 0.000 0.819 179 L CB 1.891 43.822 42.059 -0.212 0.000 1.284 179 L HN 0.602 nan 8.230 nan 0.000 0.418 180 L N 5.514 126.609 121.223 -0.213 0.000 2.325 180 L HA 0.706 5.047 4.340 0.001 0.000 0.281 180 L C -1.288 175.462 176.870 -0.201 0.000 1.004 180 L CA -0.288 54.444 54.840 -0.180 0.000 0.823 180 L CB 1.810 43.758 42.059 -0.186 0.000 1.236 180 L HN 0.435 nan 8.230 nan 0.000 0.415 181 V N 6.689 126.513 119.914 -0.150 0.000 2.398 181 V HA 0.438 4.559 4.120 0.001 0.000 0.286 181 V C 0.140 176.153 176.094 -0.135 0.000 1.026 181 V CA -0.393 61.828 62.300 -0.132 0.000 0.868 181 V CB 1.477 33.253 31.823 -0.077 0.000 0.982 181 V HN 0.592 nan 8.190 nan 0.000 0.443 182 I N 4.544 125.017 120.570 -0.163 0.000 2.312 182 I HA 0.738 4.908 4.170 0.001 0.000 0.290 182 I C 0.619 176.683 176.117 -0.089 0.000 1.008 182 I CA -0.060 61.141 61.300 -0.164 0.000 1.226 182 I CB 1.346 39.170 38.000 -0.292 0.000 1.371 182 I HN 0.861 nan 8.210 nan 0.000 0.468 183 G N 3.508 112.276 108.800 -0.053 0.000 3.239 183 G HA2 0.057 4.018 3.960 0.001 0.000 0.666 183 G HA3 0.057 4.018 3.960 0.001 0.000 0.666 183 G C -0.057 174.830 174.900 -0.022 0.000 1.313 183 G CA -0.523 44.563 45.100 -0.025 0.000 1.001 183 G HN 0.917 nan 8.290 nan 0.000 0.573 184 G N 0.458 109.246 108.800 -0.020 0.000 3.702 184 G HA2 0.642 4.602 3.960 0.001 0.000 0.288 184 G HA3 0.642 4.602 3.960 0.001 0.000 0.288 184 G C 0.845 175.714 174.900 -0.051 0.000 1.193 184 G CA 0.920 45.999 45.100 -0.035 0.000 0.952 184 G HN 1.222 nan 8.290 nan 0.000 0.544 185 G N -1.068 107.714 108.800 -0.030 0.000 2.532 185 G HA2 0.487 4.447 3.960 0.001 0.000 0.291 185 G HA3 0.487 4.447 3.960 0.001 0.000 0.291 185 G C 1.308 176.203 174.900 -0.008 0.000 1.349 185 G CA 0.239 45.320 45.100 -0.031 0.000 1.038 185 G HN 0.303 nan 8.290 nan 0.000 0.518 186 A N -1.187 121.644 122.820 0.019 0.000 1.917 186 A HA -0.061 4.260 4.320 0.001 0.000 0.219 186 A C 2.531 180.164 177.584 0.082 0.000 1.182 186 A CA 2.296 54.376 52.037 0.071 0.000 0.633 186 A CB -0.795 18.280 19.000 0.125 0.000 0.819 186 A HN 0.539 nan 8.150 nan 0.000 0.448 187 V N -0.207 119.747 119.914 0.067 0.000 2.261 187 V HA -0.179 3.941 4.120 0.001 0.000 0.246 187 V C 2.848 178.979 176.094 0.060 0.000 1.047 187 V CA 2.047 64.387 62.300 0.066 0.000 1.015 187 V CB -1.570 30.286 31.823 0.056 0.000 0.642 187 V HN 0.618 nan 8.190 nan 0.000 0.446 188 G N -0.159 108.664 108.800 0.039 0.000 2.421 188 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 188 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 188 G C 1.595 176.516 174.900 0.035 0.000 1.171 188 G CA 1.079 46.195 45.100 0.026 0.000 0.775 188 G HN 0.459 nan 8.290 nan 0.000 0.543 189 L N 0.066 121.309 121.223 0.033 0.000 2.017 189 L HA -0.063 4.277 4.340 0.001 0.000 0.208 189 L C 2.928 179.841 176.870 0.072 0.000 1.073 189 L CA 1.430 56.294 54.840 0.040 0.000 0.745 189 L CB -0.490 41.584 42.059 0.025 0.000 0.894 189 L HN 0.286 nan 8.230 nan 0.000 0.432 190 E N 0.190 120.448 120.200 0.095 0.000 2.047 190 E HA -0.194 4.157 4.350 0.001 0.000 0.191 190 E C 2.350 179.026 176.600 0.127 0.000 0.987 190 E CA 1.060 57.532 56.400 0.119 0.000 0.799 190 E CB -0.139 29.644 29.700 0.138 0.000 0.752 190 E HN 0.438 nan 8.360 nan 0.000 0.449 191 L N 0.385 121.688 121.223 0.133 0.000 2.156 191 L HA -0.053 4.288 4.340 0.001 0.000 0.208 191 L C 2.516 179.527 176.870 0.234 0.000 1.095 191 L CA 0.880 55.839 54.840 0.199 0.000 0.770 191 L CB -0.512 41.650 42.059 0.171 0.000 0.914 191 L HN 0.236 nan 8.230 nan 0.000 0.439 192 G N -0.755 108.125 108.800 0.134 0.000 2.418 192 G HA2 -0.309 3.651 3.960 0.001 0.000 0.217 192 G HA3 -0.309 3.651 3.960 0.001 0.000 0.217 192 G C 1.500 176.480 174.900 0.133 0.000 1.158 192 G CA 0.557 45.723 45.100 0.110 0.000 0.771 192 G HN 0.360 nan 8.290 nan 0.000 0.545 193 Q N -0.200 119.662 119.800 0.104 0.000 2.172 193 Q HA -0.020 4.320 4.340 0.001 0.000 0.200 193 Q C 2.639 178.687 176.000 0.080 0.000 0.964 193 Q CA 0.964 56.810 55.803 0.071 0.000 0.855 193 Q CB -0.071 28.694 28.738 0.045 0.000 0.918 193 Q HN 0.305 nan 8.270 nan 0.000 0.444 194 V N 0.218 120.201 119.914 0.115 0.000 2.261 194 V HA -0.285 3.835 4.120 0.001 0.000 0.246 194 V C 1.759 177.860 176.094 0.012 0.000 1.047 194 V CA 1.968 64.305 62.300 0.063 0.000 1.015 194 V CB -0.710 31.157 31.823 0.073 0.000 0.642 194 V HN 0.456 nan 8.190 nan 0.000 0.446 195 Y N 0.010 120.346 120.300 0.060 0.000 2.224 195 Y HA -0.242 4.309 4.550 0.001 0.000 0.289 195 Y C 2.719 178.646 175.900 0.045 0.000 1.146 195 Y CA 2.072 60.211 58.100 0.065 0.000 1.182 195 Y CB -0.265 38.243 38.460 0.080 0.000 0.983 195 Y HN 0.120 nan 8.280 nan 0.000 0.524 196 R N 1.080 121.676 120.500 0.160 0.000 2.073 196 R HA -0.118 4.222 4.340 0.001 0.000 0.234 196 R C 2.008 178.342 176.300 0.055 0.000 1.134 196 R CA 1.696 57.851 56.100 0.091 0.000 0.952 196 R CB -0.412 29.925 30.300 0.062 0.000 0.850 196 R HN 0.214 nan 8.270 nan 0.000 0.433 197 R N -0.126 120.394 120.500 0.034 0.000 2.189 197 R HA 0.012 4.353 4.340 0.001 0.000 0.223 197 R C 1.787 178.099 176.300 0.020 0.000 1.092 197 R CA 1.056 57.174 56.100 0.029 0.000 0.989 197 R CB -0.209 30.097 30.300 0.010 0.000 0.876 197 R HN 0.267 nan 8.270 nan 0.000 0.457 198 L N -0.548 120.668 121.223 -0.011 0.000 2.591 198 L HA 0.150 4.490 4.340 0.001 0.000 0.228 198 L C 1.047 177.914 176.870 -0.004 0.000 1.133 198 L CA 0.487 55.304 54.840 -0.037 0.000 0.880 198 L CB 0.321 42.300 42.059 -0.132 0.000 1.033 198 L HN 0.485 nan 8.230 nan 0.000 0.450 199 G N -0.497 108.318 108.800 0.026 0.000 2.192 199 G HA2 -0.152 3.809 3.960 0.001 0.000 0.193 199 G HA3 -0.152 3.809 3.960 0.001 0.000 0.193 199 G C 0.239 175.174 174.900 0.058 0.000 0.999 199 G CA -0.140 44.983 45.100 0.038 0.000 0.659 199 G HN 0.407 nan 8.290 nan 0.000 0.503 200 A N 0.031 122.905 122.820 0.089 0.000 2.279 200 A HA 0.750 5.070 4.320 0.001 0.000 0.303 200 A C 0.179 177.808 177.584 0.075 0.000 1.108 200 A CA -0.351 51.749 52.037 0.105 0.000 0.830 200 A CB 0.719 19.837 19.000 0.197 0.000 1.106 200 A HN 0.144 nan 8.150 nan 0.000 0.493 201 E N 0.213 120.441 120.200 0.047 0.000 2.313 201 E HA 0.470 4.821 4.350 0.001 0.000 0.276 201 E C -1.005 175.605 176.600 0.016 0.000 1.031 201 E CA -0.072 56.341 56.400 0.023 0.000 0.857 201 E CB 1.469 31.171 29.700 0.003 0.000 1.040 201 E HN 0.290 nan 8.360 nan 0.000 0.408 202 V N 2.702 122.623 119.914 0.013 0.000 2.686 202 V HA 0.382 4.502 4.120 0.001 0.000 0.306 202 V C -0.259 175.825 176.094 -0.017 0.000 1.065 202 V CA -0.711 61.588 62.300 -0.001 0.000 0.894 202 V CB 2.362 34.204 31.823 0.031 0.000 1.004 202 V HN 0.600 nan 8.190 nan 0.000 0.424 203 T N 5.802 120.332 114.554 -0.041 0.000 2.848 203 T HA 0.669 5.020 4.350 0.001 0.000 0.285 203 T C -0.828 173.839 174.700 -0.055 0.000 0.995 203 T CA -0.302 61.772 62.100 -0.043 0.000 0.970 203 T CB 1.559 70.396 68.868 -0.051 0.000 0.976 203 T HN 0.543 nan 8.240 nan 0.000 0.441 204 L N 5.221 126.417 121.223 -0.044 0.000 2.362 204 L HA 0.774 5.114 4.340 0.001 0.000 0.275 204 L C -0.966 175.876 176.870 -0.047 0.000 0.998 204 L CA -1.107 53.703 54.840 -0.049 0.000 0.820 204 L CB 1.041 43.081 42.059 -0.033 0.000 1.270 204 L HN 0.745 nan 8.230 nan 0.000 0.415 205 I N 1.021 121.557 120.570 -0.057 0.000 2.530 205 I HA 0.750 4.920 4.170 0.001 0.000 0.297 205 I C -1.123 174.977 176.117 -0.028 0.000 1.011 205 I CA -0.460 60.813 61.300 -0.045 0.000 1.107 205 I CB 1.992 39.960 38.000 -0.054 0.000 1.285 205 I HN 0.611 nan 8.210 nan 0.000 0.436 206 E N 4.062 124.256 120.200 -0.011 0.000 2.263 206 E HA 0.219 4.569 4.350 0.001 0.000 0.268 206 E C -0.590 176.045 176.600 0.059 0.000 0.884 206 E CA -0.704 55.709 56.400 0.021 0.000 0.766 206 E CB 1.263 30.963 29.700 0.001 0.000 1.196 206 E HN 0.621 nan 8.360 nan 0.000 0.416 207 Y N 4.979 125.260 120.300 -0.031 0.000 2.128 207 Y HA -0.066 4.484 4.550 0.001 0.000 0.284 207 Y C 0.675 176.562 175.900 -0.020 0.000 1.154 207 Y CA 1.559 59.647 58.100 -0.020 0.000 1.149 207 Y CB 0.200 38.652 38.460 -0.014 0.000 0.976 207 Y HN 0.482 nan 8.280 nan 0.000 0.505 208 M N 0.513 120.283 119.600 0.283 0.000 2.167 208 M HA 0.064 4.544 4.480 0.001 0.000 0.300 208 M C -1.248 175.080 176.300 0.047 0.000 1.171 208 M CA -2.064 53.339 55.300 0.172 0.000 1.171 208 M CB -0.714 31.950 32.600 0.107 0.000 1.396 208 M HN -0.067 nan 8.290 nan 0.000 0.466 209 P HA -0.090 nan 4.420 nan 0.000 0.221 209 P C -0.226 177.064 177.300 -0.017 0.000 1.145 209 P CA 1.386 64.482 63.100 -0.007 0.000 0.795 209 P CB 0.330 32.028 31.700 -0.003 0.000 0.775 210 E N -1.261 118.927 120.200 -0.021 0.000 2.390 210 E HA 0.331 4.681 4.350 0.001 0.000 0.277 210 E C -0.495 176.070 176.600 -0.060 0.000 0.939 210 E CA -1.096 55.279 56.400 -0.041 0.000 0.769 210 E CB 0.847 30.517 29.700 -0.050 0.000 1.251 210 E HN -0.096 nan 8.360 nan 0.000 0.450 211 I N 0.242 120.763 120.570 -0.081 0.000 3.194 211 I HA 0.235 4.406 4.170 0.001 0.000 0.283 211 I C 0.376 176.383 176.117 -0.183 0.000 1.199 211 I CA -0.637 60.597 61.300 -0.110 0.000 1.328 211 I CB 0.143 38.076 38.000 -0.112 0.000 1.404 211 I HN 0.686 nan 8.210 nan 0.000 0.618 212 L N 1.517 122.610 121.223 -0.216 0.000 3.795 212 L HA -0.159 4.181 4.340 0.001 0.000 0.489 212 L C -1.330 175.400 176.870 -0.234 0.000 1.259 212 L CA -0.355 54.294 54.840 -0.318 0.000 0.765 212 L CB -1.553 40.104 42.059 -0.670 0.000 1.519 212 L HN 0.708 nan 8.230 nan 0.000 0.842 213 P HA -0.207 nan 4.420 nan 0.000 0.222 213 P C 1.165 178.430 177.300 -0.058 0.000 1.142 213 P CA 1.247 64.302 63.100 -0.075 0.000 0.788 213 P CB 0.205 31.884 31.700 -0.035 0.000 0.767 214 Q N -0.411 119.353 119.800 -0.059 0.000 2.389 214 Q HA 0.133 4.474 4.340 0.001 0.000 0.204 214 Q C 1.459 177.488 176.000 0.048 0.000 0.944 214 Q CA 0.678 56.483 55.803 0.002 0.000 0.908 214 Q CB -0.176 28.577 28.738 0.026 0.000 1.002 214 Q HN 0.248 nan 8.270 nan 0.000 0.493 215 G N 0.525 109.310 108.800 -0.025 0.000 2.601 215 G HA2 0.227 4.188 3.960 0.001 0.000 0.317 215 G HA3 0.227 4.188 3.960 0.001 0.000 0.317 215 G C -1.185 173.678 174.900 -0.062 0.000 1.246 215 G CA -0.616 44.555 45.100 0.119 0.000 1.012 215 G HN 0.041 nan 8.290 nan 0.000 0.494 216 D N -0.073 120.185 120.400 -0.238 0.000 2.520 216 D HA 0.114 4.754 4.640 0.001 0.000 0.243 216 D C -1.240 174.994 176.300 -0.109 0.000 1.160 216 D CA -0.856 52.880 54.000 -0.440 0.000 0.877 216 D CB 1.297 41.535 40.800 -0.937 0.000 1.150 216 D HN -0.062 nan 8.370 nan 0.000 0.494 217 P HA -0.148 nan 4.420 nan 0.000 0.216 217 P C 0.992 178.284 177.300 -0.014 0.000 1.150 217 P CA 0.922 63.987 63.100 -0.059 0.000 0.837 217 P CB 0.164 31.831 31.700 -0.054 0.000 0.786 218 E N -0.575 119.623 120.200 -0.003 0.000 2.031 218 E HA -0.161 4.189 4.350 0.001 0.000 0.193 218 E C 1.765 178.419 176.600 0.089 0.000 0.994 218 E CA 2.132 58.551 56.400 0.032 0.000 0.800 218 E CB -0.356 29.360 29.700 0.027 0.000 0.752 218 E HN 0.257 nan 8.360 nan 0.000 0.447 219 T N -1.249 113.405 114.554 0.166 0.000 2.904 219 T HA 0.045 4.395 4.350 0.001 0.000 0.267 219 T C 1.983 176.892 174.700 0.347 0.000 1.059 219 T CA 0.915 63.189 62.100 0.290 0.000 1.137 219 T CB -0.237 68.870 68.868 0.398 0.000 0.879 219 T HN 0.213 nan 8.240 nan 0.000 0.467 220 A N 1.917 124.878 122.820 0.235 0.000 1.933 220 A HA 0.354 4.674 4.320 0.001 0.000 0.218 220 A C 2.795 180.373 177.584 -0.009 0.000 1.175 220 A CA 1.695 53.704 52.037 -0.046 0.000 0.628 220 A CB -1.333 17.530 19.000 -0.228 0.000 0.814 220 A HN 0.701 nan 8.150 nan 0.000 0.444 221 A N -0.401 122.429 122.820 0.017 0.000 1.933 221 A HA -0.044 4.276 4.320 0.001 0.000 0.218 221 A C 2.188 179.793 177.584 0.034 0.000 1.175 221 A CA 1.450 53.493 52.037 0.011 0.000 0.628 221 A CB -0.579 18.427 19.000 0.010 0.000 0.814 221 A HN 0.603 nan 8.150 nan 0.000 0.444 222 L N -0.907 120.356 121.223 0.066 0.000 2.083 222 L HA -0.133 4.207 4.340 0.001 0.000 0.209 222 L C 2.383 179.298 176.870 0.076 0.000 1.083 222 L CA 1.534 56.417 54.840 0.071 0.000 0.752 222 L CB -0.191 41.922 42.059 0.090 0.000 0.899 222 L HN 0.442 nan 8.230 nan 0.000 0.433 223 L N 0.142 121.426 121.223 0.101 0.000 2.056 223 L HA -0.215 4.126 4.340 0.001 0.000 0.207 223 L C 2.683 179.578 176.870 0.042 0.000 1.078 223 L CA 1.908 56.802 54.840 0.091 0.000 0.749 223 L CB -0.724 41.402 42.059 0.113 0.000 0.901 223 L HN 0.253 nan 8.230 nan 0.000 0.433 224 R N -0.545 119.965 120.500 0.017 0.000 2.083 224 R HA -0.164 4.177 4.340 0.001 0.000 0.237 224 R C 2.433 178.739 176.300 0.011 0.000 1.137 224 R CA 1.746 57.847 56.100 0.002 0.000 0.951 224 R CB -0.253 30.039 30.300 -0.014 0.000 0.851 224 R HN 0.354 nan 8.270 nan 0.000 0.434 225 R N -0.091 120.419 120.500 0.017 0.000 2.096 225 R HA -0.090 4.251 4.340 0.001 0.000 0.235 225 R C 2.351 178.665 176.300 0.024 0.000 1.127 225 R CA 1.290 57.401 56.100 0.018 0.000 0.968 225 R CB -0.341 29.971 30.300 0.020 0.000 0.861 225 R HN 0.321 nan 8.270 nan 0.000 0.440 226 A N 1.348 124.187 122.820 0.033 0.000 1.902 226 A HA -0.113 4.208 4.320 0.001 0.000 0.217 226 A C 2.190 179.790 177.584 0.028 0.000 1.181 226 A CA 1.082 53.142 52.037 0.037 0.000 0.623 226 A CB -0.485 18.545 19.000 0.049 0.000 0.818 226 A HN 0.164 nan 8.150 nan 0.000 0.443 227 L N -0.735 120.501 121.223 0.022 0.000 2.083 227 L HA -0.194 4.146 4.340 0.001 0.000 0.209 227 L C 2.537 179.414 176.870 0.012 0.000 1.083 227 L CA 1.544 56.392 54.840 0.013 0.000 0.752 227 L CB -0.658 41.407 42.059 0.011 0.000 0.899 227 L HN 0.475 nan 8.230 nan 0.000 0.433 228 E N -0.015 120.193 120.200 0.012 0.000 2.110 228 E HA -0.185 4.165 4.350 0.001 0.000 0.193 228 E C 2.069 178.679 176.600 0.016 0.000 0.988 228 E CA 0.694 57.100 56.400 0.011 0.000 0.804 228 E CB 0.076 29.781 29.700 0.007 0.000 0.745 228 E HN 0.280 nan 8.360 nan 0.000 0.458 229 K N 0.925 121.339 120.400 0.022 0.000 2.209 229 K HA -0.128 4.193 4.320 0.001 0.000 0.204 229 K C 1.553 178.175 176.600 0.037 0.000 1.048 229 K CA 0.913 57.217 56.287 0.029 0.000 0.940 229 K CB -0.068 32.454 32.500 0.036 0.000 0.729 229 K HN 0.239 nan 8.250 nan 0.000 0.451 230 E N -0.620 119.601 120.200 0.034 0.000 2.502 230 E HA 0.017 4.367 4.350 0.001 0.000 0.194 230 E C 0.555 177.176 176.600 0.034 0.000 1.062 230 E CA 0.315 56.740 56.400 0.041 0.000 0.867 230 E CB 0.235 29.943 29.700 0.013 0.000 0.888 230 E HN 0.475 nan 8.360 nan 0.000 0.510 231 G N 1.226 110.041 108.800 0.024 0.000 2.179 231 G HA2 -0.247 3.714 3.960 0.001 0.000 0.220 231 G HA3 -0.247 3.714 3.960 0.001 0.000 0.220 231 G C 0.247 175.156 174.900 0.014 0.000 0.990 231 G CA -0.314 44.798 45.100 0.020 0.000 0.646 231 G HN 0.192 nan 8.290 nan 0.000 0.517 232 I N 1.965 122.543 120.570 0.013 0.000 2.379 232 I HA 0.488 4.658 4.170 0.001 0.000 0.290 232 I C 1.253 177.371 176.117 0.001 0.000 1.063 232 I CA -0.071 61.234 61.300 0.009 0.000 1.351 232 I CB 0.686 38.692 38.000 0.011 0.000 1.410 232 I HN 0.358 nan 8.210 nan 0.000 0.505 233 R N 6.225 126.722 120.500 -0.005 0.000 2.248 233 R HA 0.545 4.885 4.340 0.001 0.000 0.328 233 R C -0.845 175.446 176.300 -0.016 0.000 1.067 233 R CA -0.347 55.747 56.100 -0.010 0.000 0.924 233 R CB 0.303 30.595 30.300 -0.014 0.000 1.013 233 R HN 0.505 nan 8.270 nan 0.000 0.454 234 V N 4.879 124.784 119.914 -0.015 0.000 2.384 234 V HA 0.493 4.614 4.120 0.001 0.000 0.287 234 V C -0.287 175.793 176.094 -0.023 0.000 1.020 234 V CA -1.067 61.221 62.300 -0.020 0.000 0.850 234 V CB 1.633 33.445 31.823 -0.018 0.000 0.987 234 V HN 0.831 nan 8.190 nan 0.000 0.436 235 R N 3.217 123.701 120.500 -0.027 0.000 2.239 235 R HA 0.443 4.783 4.340 0.001 0.000 0.332 235 R C 0.266 176.547 176.300 -0.032 0.000 0.988 235 R CA -0.313 55.770 56.100 -0.029 0.000 0.859 235 R CB 1.386 31.667 30.300 -0.031 0.000 1.148 235 R HN 0.875 nan 8.270 nan 0.000 0.482 236 T N -1.408 113.126 114.554 -0.032 0.000 2.881 236 T HA 0.282 4.633 4.350 0.001 0.000 0.278 236 T C 0.319 174.988 174.700 -0.051 0.000 0.982 236 T CA -0.849 61.231 62.100 -0.034 0.000 0.989 236 T CB 1.176 70.026 68.868 -0.029 0.000 1.058 236 T HN 0.578 nan 8.240 nan 0.000 0.529 237 K N -0.377 119.985 120.400 -0.063 0.000 3.016 237 K HA -0.144 4.176 4.320 0.001 0.000 0.262 237 K C -0.473 176.030 176.600 -0.160 0.000 1.043 237 K CA 0.847 57.062 56.287 -0.119 0.000 0.761 237 K CB -2.219 30.228 32.500 -0.088 0.000 1.230 237 K HN 0.783 nan 8.250 nan 0.000 0.485 238 T N 0.628 115.102 114.554 -0.132 0.000 2.893 238 T HA 0.447 4.797 4.350 0.001 0.000 0.293 238 T C -0.697 173.950 174.700 -0.088 0.000 1.027 238 T CA -1.056 60.976 62.100 -0.113 0.000 0.988 238 T CB 1.938 70.770 68.868 -0.061 0.000 1.043 238 T HN 0.278 nan 8.240 nan 0.000 0.461 239 K N 0.504 120.861 120.400 -0.072 0.000 2.375 239 K HA 0.875 5.196 4.320 0.001 0.000 0.249 239 K C -0.987 175.648 176.600 0.058 0.000 0.942 239 K CA -1.132 55.172 56.287 0.028 0.000 0.806 239 K CB 2.090 34.644 32.500 0.090 0.000 1.227 239 K HN 0.563 nan 8.250 nan 0.000 0.430 240 A N 2.289 125.159 122.820 0.083 0.000 2.328 240 A HA 0.402 4.723 4.320 0.001 0.000 0.284 240 A C 0.447 178.229 177.584 0.330 0.000 1.160 240 A CA -0.784 51.349 52.037 0.161 0.000 0.818 240 A CB 0.782 19.753 19.000 -0.049 0.000 1.087 240 A HN 0.582 nan 8.150 nan 0.000 0.504 241 V N 2.157 122.259 119.914 0.314 0.000 2.922 241 V HA 0.435 4.555 4.120 0.001 0.000 0.242 241 V C 1.285 177.429 176.094 0.083 0.000 1.094 241 V CA 1.347 63.769 62.300 0.203 0.000 1.106 241 V CB -0.168 31.713 31.823 0.096 0.000 0.799 241 V HN 1.254 nan 8.190 nan 0.000 0.474 242 G N -0.835 107.979 108.800 0.023 0.000 2.427 242 G HA2 0.523 4.484 3.960 0.001 0.000 0.306 242 G HA3 0.523 4.484 3.960 0.001 0.000 0.306 242 G C -1.974 172.860 174.900 -0.109 0.000 1.280 242 G CA 0.066 44.917 45.100 -0.414 0.000 0.837 242 G HN 0.344 nan 8.290 nan 0.000 0.482 243 Y N -1.406 118.691 120.300 -0.338 0.000 2.677 243 Y HA 0.841 5.391 4.550 0.001 0.000 0.334 243 Y C -1.377 174.480 175.900 -0.072 0.000 1.196 243 Y CA -1.315 56.732 58.100 -0.089 0.000 1.059 243 Y CB 1.675 40.158 38.460 0.038 0.000 1.315 243 Y HN 0.763 nan 8.280 nan 0.000 0.455 244 E N 2.442 122.603 120.200 -0.065 0.000 2.241 244 E HA 0.295 4.646 4.350 0.001 0.000 0.263 244 E C -1.681 174.957 176.600 0.063 0.000 0.882 244 E CA -1.028 55.274 56.400 -0.163 0.000 0.769 244 E CB 1.616 31.257 29.700 -0.099 0.000 1.185 244 E HN 0.690 nan 8.360 nan 0.000 0.415 245 K N 4.608 125.012 120.400 0.007 0.000 2.316 245 K HA 0.209 4.529 4.320 0.001 0.000 0.289 245 K C -0.707 175.949 176.600 0.093 0.000 1.070 245 K CA 0.012 56.383 56.287 0.140 0.000 0.928 245 K CB 0.556 33.138 32.500 0.136 0.000 1.039 245 K HN 0.382 nan 8.250 nan 0.000 0.480 246 K N 2.672 123.167 120.400 0.159 0.000 2.331 246 K HA 0.173 4.494 4.320 0.001 0.000 0.238 246 K C 0.591 177.254 176.600 0.106 0.000 1.058 246 K CA -0.908 55.442 56.287 0.105 0.000 0.871 246 K CB 1.227 33.779 32.500 0.086 0.000 1.292 246 K HN 0.342 nan 8.250 nan 0.000 0.470 247 K N 1.234 121.679 120.400 0.075 0.000 2.103 247 K HA -0.180 4.140 4.320 0.001 0.000 0.207 247 K C 0.993 177.636 176.600 0.072 0.000 1.048 247 K CA 2.315 58.638 56.287 0.061 0.000 0.930 247 K CB 0.002 32.528 32.500 0.043 0.000 0.716 247 K HN 0.641 nan 8.250 nan 0.000 0.444 248 D N -1.112 119.352 120.400 0.107 0.000 2.340 248 D HA 0.082 4.723 4.640 0.001 0.000 0.220 248 D C 0.738 177.063 176.300 0.041 0.000 1.039 248 D CA 0.707 54.755 54.000 0.081 0.000 0.866 248 D CB 0.552 41.413 40.800 0.102 0.000 0.913 248 D HN 0.363 nan 8.370 nan 0.000 0.523 249 G N -0.220 108.619 108.800 0.066 0.000 2.315 249 G HA2 0.135 4.095 3.960 0.001 0.000 0.296 249 G HA3 0.135 4.095 3.960 0.001 0.000 0.296 249 G C -1.837 173.100 174.900 0.063 0.000 1.289 249 G CA -0.853 44.254 45.100 0.012 0.000 0.996 249 G HN 0.105 nan 8.290 nan 0.000 0.487 250 L N 1.952 123.182 121.223 0.012 0.000 2.278 250 L HA 0.396 4.736 4.340 0.001 0.000 0.287 250 L C 0.451 177.347 176.870 0.044 0.000 1.072 250 L CA -0.349 54.565 54.840 0.124 0.000 0.819 250 L CB 0.819 42.914 42.059 0.061 0.000 1.176 250 L HN 0.502 nan 8.230 nan 0.000 0.435 251 H N 3.691 122.841 119.070 0.133 0.000 2.872 251 H HA 0.272 4.829 4.556 0.001 0.000 0.273 251 H C -0.587 174.829 175.328 0.147 0.000 1.205 251 H CA -0.467 55.638 56.048 0.095 0.000 1.342 251 H CB 0.878 30.672 29.762 0.053 0.000 1.469 251 H HN 0.261 nan 8.280 nan 0.000 0.487 252 V N 4.767 124.794 119.914 0.188 0.000 2.465 252 V HA 0.142 4.262 4.120 0.001 0.000 0.279 252 V C 0.784 176.984 176.094 0.177 0.000 1.045 252 V CA -0.555 61.888 62.300 0.238 0.000 0.938 252 V CB 1.542 33.476 31.823 0.184 0.000 0.986 252 V HN 0.624 nan 8.190 nan 0.000 0.467 253 R N 5.002 125.615 120.500 0.188 0.000 2.221 253 R HA 0.610 4.951 4.340 0.001 0.000 0.327 253 R C -1.212 175.163 176.300 0.124 0.000 1.033 253 R CA -0.434 55.739 56.100 0.122 0.000 0.887 253 R CB 0.561 30.910 30.300 0.082 0.000 1.057 253 R HN 0.699 nan 8.270 nan 0.000 0.455 254 L N 3.274 124.543 121.223 0.076 0.000 2.322 254 L HA 0.567 4.908 4.340 0.001 0.000 0.269 254 L C 0.241 177.127 176.870 0.027 0.000 1.012 254 L CA -0.705 54.167 54.840 0.053 0.000 0.815 254 L CB 2.088 44.162 42.059 0.025 0.000 1.295 254 L HN 0.770 nan 8.230 nan 0.000 0.438 255 E N -0.218 119.986 120.200 0.007 0.000 3.611 255 E HA 0.022 4.373 4.350 0.001 0.000 0.111 255 E C -0.256 176.311 176.600 -0.056 0.000 1.120 255 E CA -0.572 55.819 56.400 -0.015 0.000 0.766 255 E CB 0.164 29.862 29.700 -0.004 0.000 1.996 255 E HN 0.624 nan 8.360 nan 0.000 0.453 256 E N 1.431 121.508 120.200 -0.206 0.000 2.576 256 E HA -0.303 4.047 4.350 0.001 0.000 0.276 256 E C 0.400 176.976 176.600 -0.041 0.000 1.501 256 E CA 1.467 57.823 56.400 -0.073 0.000 0.930 256 E CB -1.768 27.906 29.700 -0.044 0.000 0.985 256 E HN 0.686 nan 8.360 nan 0.000 0.496 257 G N -1.541 107.224 108.800 -0.058 0.000 2.755 257 G HA2 0.309 4.270 3.960 0.001 0.000 0.686 257 G HA3 0.309 4.270 3.960 0.001 0.000 0.686 257 G C 0.269 175.153 174.900 -0.026 0.000 1.427 257 G CA 0.416 45.501 45.100 -0.026 0.000 0.873 257 G HN 1.416 nan 8.290 nan 0.000 0.580 258 G N -0.481 108.308 108.800 -0.017 0.000 2.334 258 G HA2 0.544 4.504 3.960 0.001 0.000 0.249 258 G HA3 0.544 4.504 3.960 0.001 0.000 0.249 258 G C -0.144 174.749 174.900 -0.012 0.000 1.327 258 G CA 0.465 45.555 45.100 -0.015 0.000 0.979 258 G HN 1.612 nan 8.290 nan 0.000 0.471 259 E N 0.217 120.410 120.200 -0.012 0.000 2.608 259 E HA 0.395 4.746 4.350 0.001 0.000 0.259 259 E C 0.776 177.373 176.600 -0.006 0.000 0.951 259 E CA 0.528 56.923 56.400 -0.008 0.000 0.945 259 E CB 0.143 29.838 29.700 -0.008 0.000 0.916 259 E HN 0.909 nan 8.360 nan 0.000 0.477 260 G N 3.665 112.465 108.800 0.000 0.000 2.400 260 G HA2 0.345 4.306 3.960 0.001 0.000 0.301 260 G HA3 0.345 4.306 3.960 0.001 0.000 0.301 260 G C -0.901 174.005 174.900 0.011 0.000 1.154 260 G CA -0.539 44.566 45.100 0.007 0.000 0.852 260 G HN 0.670 nan 8.290 nan 0.000 0.511 261 E N -0.069 120.140 120.200 0.016 0.000 2.359 261 E HA 0.651 5.002 4.350 0.001 0.000 0.266 261 E C -1.012 175.609 176.600 0.035 0.000 0.920 261 E CA -0.976 55.435 56.400 0.019 0.000 0.788 261 E CB 2.573 32.279 29.700 0.009 0.000 1.279 261 E HN 0.450 nan 8.360 nan 0.000 0.438 262 E N 1.008 121.231 120.200 0.040 0.000 2.288 262 E HA 0.530 4.881 4.350 0.001 0.000 0.268 262 E C -1.958 174.662 176.600 0.034 0.000 0.885 262 E CA -1.104 55.331 56.400 0.059 0.000 0.767 262 E CB 2.616 32.373 29.700 0.096 0.000 1.220 262 E HN 0.315 nan 8.360 nan 0.000 0.427 263 V N 3.768 123.695 119.914 0.021 0.000 2.841 263 V HA 0.512 4.632 4.120 0.001 0.000 0.310 263 V C -1.550 174.498 176.094 -0.077 0.000 1.090 263 V CA -0.526 61.759 62.300 -0.025 0.000 0.930 263 V CB 2.059 33.866 31.823 -0.026 0.000 1.014 263 V HN 0.544 nan 8.190 nan 0.000 0.425 264 V N 7.032 126.864 119.914 -0.137 0.000 2.384 264 V HA 0.741 4.861 4.120 0.001 0.000 0.287 264 V C -0.043 175.956 176.094 -0.160 0.000 1.020 264 V CA 0.002 62.159 62.300 -0.239 0.000 0.850 264 V CB 1.467 33.069 31.823 -0.367 0.000 0.987 264 V HN 1.002 nan 8.190 nan 0.000 0.436 265 V N 1.093 120.916 119.914 -0.151 0.000 3.167 265 V HA 0.666 4.787 4.120 0.001 0.000 0.310 265 V C 0.131 176.143 176.094 -0.137 0.000 1.207 265 V CA -0.586 61.633 62.300 -0.135 0.000 1.059 265 V CB 2.427 34.159 31.823 -0.152 0.000 1.079 265 V HN 0.564 nan 8.190 nan 0.000 0.446 266 D N -0.148 120.165 120.400 -0.145 0.000 2.262 266 D HA 0.188 4.829 4.640 0.001 0.000 0.212 266 D C 0.201 176.359 176.300 -0.236 0.000 0.964 266 D CA 0.957 54.873 54.000 -0.140 0.000 0.875 266 D CB 0.441 41.182 40.800 -0.098 0.000 0.996 266 D HN 0.441 nan 8.370 nan 0.000 0.497 267 K N 0.363 120.543 120.400 -0.368 0.000 2.482 267 K HA 0.554 4.875 4.320 0.001 0.000 0.257 267 K C -0.891 175.364 176.600 -0.574 0.000 0.969 267 K CA -0.834 55.074 56.287 -0.631 0.000 0.842 267 K CB 3.147 34.954 32.500 -1.155 0.000 1.359 267 K HN -0.262 nan 8.250 nan 0.000 0.441 268 V N 1.975 121.520 119.914 -0.615 0.000 2.588 268 V HA 0.376 4.497 4.120 0.001 0.000 0.304 268 V C -1.067 174.817 176.094 -0.349 0.000 1.042 268 V CA -1.003 61.033 62.300 -0.441 0.000 0.877 268 V CB 1.959 33.543 31.823 -0.398 0.000 0.996 268 V HN 0.573 nan 8.190 nan 0.000 0.425 269 L N 6.580 127.656 121.223 -0.244 0.000 2.280 269 L HA 0.669 5.010 4.340 0.001 0.000 0.287 269 L C -0.513 176.321 176.870 -0.060 0.000 1.023 269 L CA -0.004 54.800 54.840 -0.061 0.000 0.819 269 L CB 1.633 43.661 42.059 -0.053 0.000 1.212 269 L HN 0.434 nan 8.230 nan 0.000 0.420 270 V N 5.564 125.514 119.914 0.060 0.000 2.364 270 V HA 0.696 4.817 4.120 0.001 0.000 0.272 270 V C 0.583 176.748 176.094 0.117 0.000 1.036 270 V CA 0.063 62.380 62.300 0.029 0.000 0.880 270 V CB 0.852 32.695 31.823 0.034 0.000 0.991 270 V HN 0.938 nan 8.190 nan 0.000 0.460 271 A N 4.370 127.213 122.820 0.039 0.000 3.355 271 A HA 0.524 4.845 4.320 0.001 0.000 0.290 271 A C 0.437 178.040 177.584 0.032 0.000 0.973 271 A CA -0.037 52.032 52.037 0.055 0.000 0.933 271 A CB 0.782 19.805 19.000 0.039 0.000 1.138 271 A HN 1.056 nan 8.150 nan 0.000 0.490 272 V N -2.490 117.446 119.914 0.038 0.000 3.596 272 V HA 0.656 4.776 4.120 0.001 0.000 0.289 272 V C 0.716 176.829 176.094 0.032 0.000 1.336 272 V CA 0.534 62.846 62.300 0.019 0.000 1.137 272 V CB -0.744 31.081 31.823 0.004 0.000 0.966 272 V HN 1.569 nan 8.190 nan 0.000 0.428 273 G N 0.142 108.974 108.800 0.054 0.000 2.350 273 G HA2 0.320 4.281 3.960 0.001 0.000 0.282 273 G HA3 0.320 4.281 3.960 0.001 0.000 0.282 273 G C -1.512 173.432 174.900 0.073 0.000 1.314 273 G CA -0.895 44.241 45.100 0.060 0.000 0.915 273 G HN 0.324 nan 8.290 nan 0.000 0.499 274 R N -0.248 120.296 120.500 0.075 0.000 2.808 274 R HA 0.658 4.999 4.340 0.001 0.000 0.272 274 R C -0.912 175.405 176.300 0.028 0.000 0.995 274 R CA -0.919 55.217 56.100 0.061 0.000 0.917 274 R CB 2.265 32.605 30.300 0.067 0.000 1.217 274 R HN 0.718 nan 8.270 nan 0.000 0.471 275 K N 2.987 123.380 120.400 -0.013 0.000 2.413 275 K HA 0.384 4.705 4.320 0.001 0.000 0.257 275 K C -2.367 174.148 176.600 -0.143 0.000 0.946 275 K CA -1.834 54.397 56.287 -0.093 0.000 0.823 275 K CB 1.830 34.304 32.500 -0.042 0.000 1.109 275 K HN 0.214 nan 8.250 nan 0.000 0.427 276 P HA 0.025 nan 4.420 nan 0.000 0.268 276 P C -1.023 176.190 177.300 -0.145 0.000 1.204 276 P CA -0.018 62.926 63.100 -0.260 0.000 0.768 276 P CB 0.519 31.896 31.700 -0.538 0.000 0.842 277 R N 2.078 122.540 120.500 -0.064 0.000 3.268 277 R HA 0.155 4.496 4.340 0.001 0.000 0.217 277 R C 0.944 177.239 176.300 -0.009 0.000 1.568 277 R CA 0.082 56.175 56.100 -0.013 0.000 1.322 277 R CB -0.632 29.684 30.300 0.027 0.000 1.280 277 R HN 0.556 nan 8.270 nan 0.000 0.667 278 T N -3.155 111.382 114.554 -0.028 0.000 3.040 278 T HA 0.137 4.487 4.350 0.001 0.000 0.266 278 T C 0.419 175.125 174.700 0.010 0.000 1.005 278 T CA -0.388 61.702 62.100 -0.017 0.000 0.906 278 T CB 0.451 69.292 68.868 -0.045 0.000 1.082 278 T HN 0.272 nan 8.240 nan 0.000 0.531 279 E N 1.063 121.277 120.200 0.024 0.000 2.266 279 E HA 0.501 4.852 4.350 0.001 0.000 0.277 279 E C 0.800 177.452 176.600 0.086 0.000 1.018 279 E CA -0.295 56.127 56.400 0.036 0.000 0.840 279 E CB 0.975 30.686 29.700 0.017 0.000 1.082 279 E HN 0.374 nan 8.360 nan 0.000 0.395 280 G N 2.257 111.106 108.800 0.081 0.000 2.198 280 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 280 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 280 G C 0.341 175.373 174.900 0.220 0.000 1.025 280 G CA 0.543 45.717 45.100 0.123 0.000 0.769 280 G HN 0.430 nan 8.290 nan 0.000 0.507 281 L N -0.313 120.989 121.223 0.133 0.000 2.693 281 L HA 0.563 4.904 4.340 0.001 0.000 0.235 281 L C 1.897 178.792 176.870 0.043 0.000 1.127 281 L CA 1.300 56.187 54.840 0.077 0.000 0.914 281 L CB -0.012 42.055 42.059 0.014 0.000 1.193 281 L HN 1.352 nan 8.230 nan 0.000 0.502 282 G N -0.362 108.472 108.800 0.056 0.000 2.148 282 G HA2 -0.319 3.642 3.960 0.001 0.000 0.254 282 G HA3 -0.319 3.642 3.960 0.001 0.000 0.254 282 G C 1.023 175.937 174.900 0.024 0.000 0.981 282 G CA 0.648 45.772 45.100 0.040 0.000 0.670 282 G HN 0.386 nan 8.290 nan 0.000 0.528 283 L N 0.701 121.935 121.223 0.019 0.000 2.079 283 L HA -0.083 4.258 4.340 0.001 0.000 0.210 283 L C 2.875 179.751 176.870 0.011 0.000 1.081 283 L CA 1.945 56.791 54.840 0.011 0.000 0.752 283 L CB -0.391 41.673 42.059 0.008 0.000 0.896 283 L HN 0.601 nan 8.230 nan 0.000 0.433 284 E N 0.821 121.030 120.200 0.015 0.000 2.478 284 E HA -0.188 4.163 4.350 0.001 0.000 0.198 284 E C 1.249 177.857 176.600 0.013 0.000 1.046 284 E CA 0.821 57.229 56.400 0.013 0.000 0.870 284 E CB -0.074 29.634 29.700 0.014 0.000 0.818 284 E HN 0.528 nan 8.360 nan 0.000 0.527 285 K N -0.026 120.384 120.400 0.016 0.000 2.354 285 K HA 0.284 4.605 4.320 0.001 0.000 0.194 285 K C 1.465 178.073 176.600 0.014 0.000 1.038 285 K CA 0.547 56.844 56.287 0.017 0.000 1.052 285 K CB 0.798 33.312 32.500 0.023 0.000 0.861 285 K HN 0.122 nan 8.250 nan 0.000 0.535 286 A N 0.392 123.218 122.820 0.011 0.000 2.382 286 A HA 0.350 4.671 4.320 0.001 0.000 0.228 286 A C 1.249 178.833 177.584 0.001 0.000 1.217 286 A CA 0.529 52.570 52.037 0.007 0.000 0.923 286 A CB 0.248 19.252 19.000 0.006 0.000 0.979 286 A HN 0.271 nan 8.150 nan 0.000 0.515 287 G N -0.800 108.001 108.800 0.001 0.000 2.136 287 G HA2 -0.176 3.785 3.960 0.001 0.000 0.242 287 G HA3 -0.176 3.785 3.960 0.001 0.000 0.242 287 G C 0.090 174.986 174.900 -0.006 0.000 0.989 287 G CA 0.101 45.200 45.100 -0.002 0.000 0.682 287 G HN 0.810 nan 8.290 nan 0.000 0.522 288 V N 1.466 121.377 119.914 -0.005 0.000 2.427 288 V HA 0.262 4.383 4.120 0.001 0.000 0.268 288 V C 0.992 177.086 176.094 0.000 0.000 1.046 288 V CA -0.155 62.141 62.300 -0.007 0.000 0.970 288 V CB 1.076 32.896 31.823 -0.006 0.000 1.001 288 V HN 0.346 nan 8.190 nan 0.000 0.476 289 K N 3.886 124.286 120.400 0.000 0.000 2.350 289 K HA 0.500 4.820 4.320 0.001 0.000 0.279 289 K C -0.703 175.907 176.600 0.016 0.000 1.027 289 K CA -0.246 56.046 56.287 0.007 0.000 0.969 289 K CB 1.227 33.731 32.500 0.006 0.000 0.954 289 K HN 0.454 nan 8.250 nan 0.000 0.474 290 V N 2.839 122.765 119.914 0.020 0.000 2.735 290 V HA 0.084 4.204 4.120 0.001 0.000 0.310 290 V C -0.332 175.785 176.094 0.038 0.000 1.061 290 V CA -1.082 61.236 62.300 0.031 0.000 0.913 290 V CB 1.909 33.741 31.823 0.014 0.000 1.005 290 V HN 0.898 nan 8.190 nan 0.000 0.428 291 D N 1.813 122.254 120.400 0.067 0.000 2.433 291 D HA 0.143 4.784 4.640 0.001 0.000 0.255 291 D C 0.908 177.243 176.300 0.057 0.000 1.226 291 D CA -0.402 53.641 54.000 0.071 0.000 1.015 291 D CB 0.713 41.578 40.800 0.108 0.000 1.091 291 D HN 0.568 nan 8.370 nan 0.000 0.527 292 E N -0.885 119.347 120.200 0.054 0.000 2.171 292 E HA -0.225 4.125 4.350 0.001 0.000 0.197 292 E C 1.812 178.430 176.600 0.030 0.000 0.997 292 E CA 1.103 57.525 56.400 0.037 0.000 0.810 292 E CB -0.050 29.672 29.700 0.036 0.000 0.738 292 E HN 0.377 nan 8.360 nan 0.000 0.467 293 R N -1.121 119.419 120.500 0.066 0.000 2.297 293 R HA 0.060 4.400 4.340 0.001 0.000 0.197 293 R C 1.261 177.461 176.300 -0.166 0.000 0.943 293 R CA 0.556 56.669 56.100 0.022 0.000 1.038 293 R CB 0.649 31.069 30.300 0.199 0.000 0.957 293 R HN 0.280 nan 8.270 nan 0.000 0.484 294 G N 0.149 108.873 108.800 -0.127 0.000 2.184 294 G HA2 -0.240 3.720 3.960 0.001 0.000 0.206 294 G HA3 -0.240 3.720 3.960 0.001 0.000 0.206 294 G C 0.016 174.763 174.900 -0.254 0.000 0.995 294 G CA -0.660 44.312 45.100 -0.214 0.000 0.651 294 G HN 0.168 nan 8.290 nan 0.000 0.511 295 F N 1.353 121.299 119.950 -0.006 0.000 2.443 295 F HA 0.552 5.080 4.527 0.001 0.000 0.353 295 F C 1.393 177.185 175.800 -0.013 0.000 1.101 295 F CA -0.642 57.350 58.000 -0.013 0.000 1.226 295 F CB 0.749 39.738 39.000 -0.019 0.000 1.140 295 F HN -0.054 nan 8.300 nan 0.000 0.557 296 I N 4.545 125.215 120.570 0.166 0.000 2.505 296 I HA 0.097 4.268 4.170 0.001 0.000 0.287 296 I C 0.417 176.583 176.117 0.081 0.000 1.104 296 I CA -0.209 61.144 61.300 0.087 0.000 1.387 296 I CB 0.248 38.281 38.000 0.056 0.000 1.404 296 I HN 0.479 nan 8.210 nan 0.000 0.528 297 R N 5.812 126.345 120.500 0.055 0.000 2.522 297 R HA 0.303 4.644 4.340 0.001 0.000 0.284 297 R C -0.471 175.838 176.300 0.014 0.000 1.032 297 R CA -0.051 56.068 56.100 0.031 0.000 1.049 297 R CB 0.490 30.802 30.300 0.021 0.000 0.956 297 R HN 0.573 nan 8.270 nan 0.000 0.422 298 V N -0.452 119.465 119.914 0.004 0.000 3.159 298 V HA 0.512 4.632 4.120 0.001 0.000 0.308 298 V C -0.871 175.223 176.094 0.000 0.000 1.190 298 V CA -1.405 60.897 62.300 0.004 0.000 1.037 298 V CB 2.195 34.026 31.823 0.013 0.000 1.060 298 V HN 0.868 nan 8.190 nan 0.000 0.437 299 N N 1.499 120.209 118.700 0.015 0.000 2.671 299 N HA 0.701 5.442 4.740 0.001 0.000 0.303 299 N C 0.973 176.509 175.510 0.042 0.000 1.277 299 N CA -0.247 52.815 53.050 0.021 0.000 0.933 299 N CB 1.025 39.526 38.487 0.022 0.000 1.190 299 N HN 1.046 nan 8.380 nan 0.000 0.600 300 A N -0.560 122.291 122.820 0.051 0.000 2.076 300 A HA -0.135 4.185 4.320 0.001 0.000 0.220 300 A C 1.755 179.413 177.584 0.124 0.000 1.160 300 A CA 1.085 53.174 52.037 0.086 0.000 0.653 300 A CB -0.698 18.342 19.000 0.066 0.000 0.801 300 A HN 0.649 nan 8.150 nan 0.000 0.455 301 R N -1.809 118.763 120.500 0.121 0.000 2.310 301 R HA 0.150 4.491 4.340 0.001 0.000 0.202 301 R C 0.050 176.495 176.300 0.242 0.000 0.933 301 R CA 0.324 56.526 56.100 0.170 0.000 1.054 301 R CB 0.083 30.489 30.300 0.177 0.000 0.985 301 R HN 0.358 nan 8.270 nan 0.000 0.489 302 M N -0.307 119.404 119.600 0.186 0.000 2.939 302 M HA -0.184 4.296 4.480 0.001 0.000 0.202 302 M C -0.916 175.551 176.300 0.278 0.000 0.592 302 M CA 0.983 56.401 55.300 0.197 0.000 0.749 302 M CB -2.451 30.263 32.600 0.189 0.000 2.692 302 M HN 0.193 nan 8.290 nan 0.000 0.382 303 E N 0.942 121.240 120.200 0.163 0.000 2.313 303 E HA 0.436 4.787 4.350 0.001 0.000 0.276 303 E C 1.099 177.652 176.600 -0.079 0.000 1.031 303 E CA 0.238 56.584 56.400 -0.090 0.000 0.857 303 E CB 1.087 30.707 29.700 -0.133 0.000 1.040 303 E HN 0.444 nan 8.360 nan 0.000 0.408 304 T N -1.238 113.235 114.554 -0.135 0.000 2.865 304 T HA 0.063 4.413 4.350 0.001 0.000 0.302 304 T C 1.358 176.013 174.700 -0.075 0.000 1.078 304 T CA -0.167 61.889 62.100 -0.072 0.000 0.942 304 T CB 0.819 69.650 68.868 -0.062 0.000 1.387 304 T HN 0.412 nan 8.240 nan 0.000 0.557 305 S N -1.160 114.512 115.700 -0.047 0.000 2.555 305 S HA 0.115 4.586 4.470 0.001 0.000 0.230 305 S C 0.490 175.060 174.600 -0.050 0.000 0.978 305 S CA -0.347 57.830 58.200 -0.039 0.000 0.934 305 S CB -0.538 62.649 63.200 -0.021 0.000 0.766 305 S HN 0.555 nan 8.310 nan 0.000 0.533 306 V N 3.375 123.247 119.914 -0.070 0.000 2.357 306 V HA 0.417 4.537 4.120 0.001 0.000 0.284 306 V C -2.619 173.403 176.094 -0.120 0.000 1.018 306 V CA -2.313 59.943 62.300 -0.073 0.000 0.841 306 V CB 1.195 32.986 31.823 -0.055 0.000 0.991 306 V HN 0.091 nan 8.190 nan 0.000 0.437 307 P HA 0.183 nan 4.420 nan 0.000 0.262 307 P C 1.038 178.255 177.300 -0.137 0.000 1.182 307 P CA 1.504 64.530 63.100 -0.124 0.000 0.761 307 P CB 0.555 32.217 31.700 -0.063 0.000 0.795 308 G N 1.425 110.088 108.800 -0.228 0.000 2.199 308 G HA2 -0.202 3.759 3.960 0.001 0.000 0.254 308 G HA3 -0.202 3.759 3.960 0.001 0.000 0.254 308 G C -0.032 174.768 174.900 -0.167 0.000 0.982 308 G CA -0.139 44.883 45.100 -0.131 0.000 0.632 308 G HN 0.536 nan 8.290 nan 0.000 0.529 309 V N 1.395 121.127 119.914 -0.304 0.000 2.384 309 V HA 0.707 4.828 4.120 0.001 0.000 0.287 309 V C -0.270 175.636 176.094 -0.315 0.000 1.020 309 V CA -0.931 61.266 62.300 -0.172 0.000 0.850 309 V CB 0.986 32.758 31.823 -0.086 0.000 0.987 309 V HN 0.264 nan 8.190 nan 0.000 0.436 310 Y N 2.318 122.622 120.300 0.007 0.000 2.587 310 Y HA 0.851 5.401 4.550 0.001 0.000 0.337 310 Y C 0.350 176.249 175.900 -0.001 0.000 1.065 310 Y CA -0.928 57.176 58.100 0.006 0.000 1.126 310 Y CB 2.032 40.499 38.460 0.011 0.000 1.279 310 Y HN 0.672 nan 8.280 nan 0.000 0.489 311 A N 2.383 125.301 122.820 0.162 0.000 2.422 311 A HA 0.877 5.198 4.320 0.001 0.000 0.302 311 A C -1.097 176.524 177.584 0.062 0.000 1.041 311 A CA -0.611 51.475 52.037 0.083 0.000 0.708 311 A CB 0.898 19.930 19.000 0.053 0.000 1.257 311 A HN 0.764 nan 8.150 nan 0.000 0.414 312 I N -1.105 119.482 120.570 0.029 0.000 3.264 312 I HA 0.934 5.105 4.170 0.001 0.000 0.315 312 I C 0.619 176.720 176.117 -0.026 0.000 1.154 312 I CA -0.408 60.885 61.300 -0.010 0.000 0.962 312 I CB 1.753 39.745 38.000 -0.014 0.000 1.265 312 I HN 1.773 nan 8.210 nan 0.000 0.463 313 G N 2.257 111.018 108.800 -0.065 0.000 2.564 313 G HA2 -0.282 3.678 3.960 0.001 0.000 0.273 313 G HA3 -0.282 3.678 3.960 0.001 0.000 0.273 313 G C 0.120 175.012 174.900 -0.014 0.000 1.242 313 G CA 0.844 45.906 45.100 -0.062 0.000 0.951 313 G HN 0.872 nan 8.290 nan 0.000 0.564 314 D N 0.427 120.838 120.400 0.019 0.000 2.221 314 D HA 0.111 4.751 4.640 0.001 0.000 0.204 314 D C 2.669 179.091 176.300 0.203 0.000 0.982 314 D CA 2.215 56.279 54.000 0.106 0.000 0.857 314 D CB -0.571 40.273 40.800 0.073 0.000 0.934 314 D HN 0.884 nan 8.370 nan 0.000 0.475 315 A N 0.108 122.994 122.820 0.111 0.000 2.066 315 A HA 0.192 4.513 4.320 0.001 0.000 0.218 315 A C 2.139 179.844 177.584 0.203 0.000 1.157 315 A CA 1.552 53.651 52.037 0.103 0.000 0.670 315 A CB -0.181 18.838 19.000 0.032 0.000 0.804 315 A HN 0.231 nan 8.150 nan 0.000 0.453 316 A N -0.307 122.618 122.820 0.176 0.000 1.924 316 A HA 0.406 4.727 4.320 0.001 0.000 0.211 316 A C 1.055 178.688 177.584 0.082 0.000 1.198 316 A CA 0.958 53.070 52.037 0.125 0.000 0.657 316 A CB 0.117 19.125 19.000 0.013 0.000 0.852 316 A HN 0.701 nan 8.150 nan 0.000 0.454 317 R N -2.728 117.727 120.500 -0.075 0.000 2.825 317 R HA 0.370 4.711 4.340 0.001 0.000 0.274 317 R C -3.711 172.299 176.300 -0.484 0.000 1.026 317 R CA -1.411 54.370 56.100 -0.532 0.000 0.867 317 R CB 0.152 30.240 30.300 -0.354 0.000 1.268 317 R HN -0.090 nan 8.270 nan 0.000 0.491 318 P HA 0.308 nan 4.420 nan 0.000 0.278 318 P C -2.400 174.769 177.300 -0.219 0.000 1.266 318 P CA -1.314 61.597 63.100 -0.313 0.000 0.807 318 P CB 0.233 31.758 31.700 -0.292 0.000 1.094 319 P HA 0.136 nan 4.420 nan 0.000 0.275 319 P C -0.592 176.663 177.300 -0.075 0.000 1.228 319 P CA 0.082 63.139 63.100 -0.070 0.000 0.786 319 P CB 0.544 32.236 31.700 -0.014 0.000 0.927 320 L N 3.209 124.417 121.223 -0.025 0.000 2.399 320 L HA 0.277 4.618 4.340 0.001 0.000 0.257 320 L C 0.295 177.146 176.870 -0.031 0.000 1.236 320 L CA -0.032 54.805 54.840 -0.006 0.000 1.144 320 L CB -0.919 41.173 42.059 0.054 0.000 1.379 320 L HN 0.197 nan 8.230 nan 0.000 0.414 321 L N 0.065 121.224 121.223 -0.107 0.000 2.341 321 L HA 0.588 4.928 4.340 0.001 0.000 0.267 321 L C 1.157 177.880 176.870 -0.245 0.000 1.009 321 L CA -0.457 54.272 54.840 -0.185 0.000 0.819 321 L CB 1.930 43.777 42.059 -0.354 0.000 1.323 321 L HN 0.364 nan 8.230 nan 0.000 0.425 322 A N 0.902 123.620 122.820 -0.170 0.000 1.855 322 A HA -0.170 4.150 4.320 0.001 0.000 0.215 322 A C 2.049 179.541 177.584 -0.152 0.000 1.191 322 A CA 1.605 53.577 52.037 -0.109 0.000 0.613 322 A CB -0.861 18.145 19.000 0.009 0.000 0.829 322 A HN 0.956 nan 8.150 nan 0.000 0.442 323 H N -0.449 118.598 119.070 -0.037 0.000 2.422 323 H HA -0.112 4.444 4.556 0.001 0.000 0.298 323 H C 1.798 177.108 175.328 -0.029 0.000 1.098 323 H CA 1.525 57.539 56.048 -0.057 0.000 1.315 323 H CB -0.489 29.267 29.762 -0.010 0.000 1.382 323 H HN 0.537 nan 8.280 nan 0.000 0.523 324 K N 1.406 121.634 120.400 -0.286 0.000 2.025 324 K HA -0.038 4.283 4.320 0.001 0.000 0.207 324 K C 2.507 179.066 176.600 -0.067 0.000 1.049 324 K CA 1.096 57.339 56.287 -0.073 0.000 0.933 324 K CB -0.155 32.236 32.500 -0.181 0.000 0.714 324 K HN 0.272 nan 8.250 nan 0.000 0.438 325 A N 1.389 124.117 122.820 -0.154 0.000 1.908 325 A HA -0.200 4.121 4.320 0.001 0.000 0.218 325 A C 2.183 179.661 177.584 -0.176 0.000 1.181 325 A CA 1.858 53.807 52.037 -0.147 0.000 0.627 325 A CB -0.486 18.425 19.000 -0.149 0.000 0.818 325 A HN 0.350 nan 8.150 nan 0.000 0.445 326 M N -1.639 117.787 119.600 -0.291 0.000 2.065 326 M HA -0.172 4.309 4.480 0.001 0.000 0.259 326 M C 2.376 178.529 176.300 -0.245 0.000 1.069 326 M CA 2.086 57.048 55.300 -0.563 0.000 1.110 326 M CB -0.258 31.819 32.600 -0.871 0.000 1.328 326 M HN 0.370 nan 8.290 nan 0.000 0.405 327 R N 0.862 121.322 120.500 -0.067 0.000 2.081 327 R HA -0.117 4.224 4.340 0.001 0.000 0.235 327 R C 1.686 178.101 176.300 0.192 0.000 1.131 327 R CA 1.794 57.932 56.100 0.064 0.000 0.960 327 R CB -0.503 29.865 30.300 0.113 0.000 0.856 327 R HN 0.452 nan 8.270 nan 0.000 0.436 328 E N -1.226 119.100 120.200 0.211 0.000 2.110 328 E HA -0.105 4.245 4.350 0.001 0.000 0.193 328 E C 1.849 178.487 176.600 0.064 0.000 0.988 328 E CA 1.133 57.626 56.400 0.156 0.000 0.804 328 E CB -0.270 29.411 29.700 -0.031 0.000 0.745 328 E HN 0.600 nan 8.360 nan 0.000 0.458 329 G N 1.400 110.207 108.800 0.010 0.000 2.418 329 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 329 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 329 G C 1.593 176.501 174.900 0.014 0.000 1.158 329 G CA 0.418 45.517 45.100 -0.001 0.000 0.771 329 G HN 0.080 nan 8.290 nan 0.000 0.545 330 L N 0.386 121.638 121.223 0.049 0.000 2.046 330 L HA -0.066 4.275 4.340 0.001 0.000 0.208 330 L C 2.825 179.706 176.870 0.018 0.000 1.077 330 L CA 0.457 55.322 54.840 0.041 0.000 0.747 330 L CB -0.454 41.638 42.059 0.056 0.000 0.896 330 L HN 0.114 nan 8.230 nan 0.000 0.432 331 I N 0.562 121.167 120.570 0.059 0.000 2.142 331 I HA -0.251 3.920 4.170 0.001 0.000 0.240 331 I C 2.894 178.978 176.117 -0.055 0.000 1.078 331 I CA 1.725 63.062 61.300 0.062 0.000 1.343 331 I CB -1.536 36.572 38.000 0.181 0.000 1.046 331 I HN 0.176 nan 8.210 nan 0.000 0.405 332 A N 0.852 123.606 122.820 -0.111 0.000 1.933 332 A HA -0.114 4.206 4.320 0.001 0.000 0.218 332 A C 2.565 179.871 177.584 -0.464 0.000 1.175 332 A CA 2.063 53.866 52.037 -0.389 0.000 0.628 332 A CB -0.758 18.095 19.000 -0.245 0.000 0.814 332 A HN 0.434 nan 8.150 nan 0.000 0.444 333 A N -0.232 122.458 122.820 -0.217 0.000 1.873 333 A HA -0.151 4.170 4.320 0.001 0.000 0.215 333 A C 1.913 179.417 177.584 -0.133 0.000 1.186 333 A CA 1.616 53.560 52.037 -0.155 0.000 0.616 333 A CB -0.539 18.419 19.000 -0.070 0.000 0.823 333 A HN 0.618 nan 8.150 nan 0.000 0.442 334 E N -0.000 120.142 120.200 -0.097 0.000 2.085 334 E HA -0.185 4.166 4.350 0.001 0.000 0.194 334 E C 1.749 178.311 176.600 -0.063 0.000 0.994 334 E CA 1.247 57.614 56.400 -0.055 0.000 0.801 334 E CB -0.177 29.511 29.700 -0.021 0.000 0.743 334 E HN 0.532 nan 8.360 nan 0.000 0.453 335 N N 0.502 119.133 118.700 -0.116 0.000 2.188 335 N HA -0.088 4.653 4.740 0.001 0.000 0.184 335 N C 1.630 177.113 175.510 -0.044 0.000 1.018 335 N CA 1.127 54.140 53.050 -0.062 0.000 0.858 335 N CB -0.236 38.232 38.487 -0.031 0.000 0.989 335 N HN 0.115 nan 8.380 nan 0.000 0.426 336 A N 0.697 123.398 122.820 -0.198 0.000 2.015 336 A HA 0.095 4.416 4.320 0.001 0.000 0.219 336 A C 2.083 179.674 177.584 0.011 0.000 1.163 336 A CA 1.546 53.555 52.037 -0.046 0.000 0.646 336 A CB -0.419 18.513 19.000 -0.114 0.000 0.806 336 A HN 0.286 nan 8.150 nan 0.000 0.448 337 A N -2.084 120.725 122.820 -0.018 0.000 2.238 337 A HA 0.424 4.744 4.320 0.001 0.000 0.208 337 A C 1.738 179.332 177.584 0.018 0.000 1.177 337 A CA 1.206 53.246 52.037 0.004 0.000 0.804 337 A CB -0.697 18.299 19.000 -0.008 0.000 0.823 337 A HN 1.764 nan 8.150 nan 0.000 0.482 338 G N -0.807 108.009 108.800 0.028 0.000 2.195 338 G HA2 -0.217 3.743 3.960 0.001 0.000 0.224 338 G HA3 -0.217 3.743 3.960 0.001 0.000 0.224 338 G C 0.390 175.309 174.900 0.031 0.000 0.990 338 G CA 0.267 45.389 45.100 0.036 0.000 0.639 338 G HN 0.542 nan 8.290 nan 0.000 0.514 339 K N 0.203 120.616 120.400 0.022 0.000 2.132 339 K HA 0.437 4.757 4.320 0.001 0.000 0.240 339 K C -0.493 176.126 176.600 0.032 0.000 1.036 339 K CA 0.164 56.464 56.287 0.021 0.000 0.888 339 K CB 0.435 32.943 32.500 0.013 0.000 1.071 339 K HN 0.102 nan 8.250 nan 0.000 0.502 340 D N 0.482 120.901 120.400 0.031 0.000 2.551 340 D HA 0.146 4.786 4.640 0.001 0.000 0.294 340 D C -1.165 175.158 176.300 0.039 0.000 1.201 340 D CA -0.175 53.848 54.000 0.038 0.000 0.941 340 D CB 0.329 41.148 40.800 0.032 0.000 0.995 340 D HN 0.275 nan 8.370 nan 0.000 0.502 341 S N 0.617 116.344 115.700 0.046 0.000 2.651 341 S HA 0.957 5.427 4.470 0.001 0.000 0.291 341 S C -0.502 174.140 174.600 0.070 0.000 1.141 341 S CA -0.737 57.497 58.200 0.056 0.000 1.027 341 S CB 1.794 65.029 63.200 0.058 0.000 1.043 341 S HN 0.524 nan 8.310 nan 0.000 0.530 342 A N 1.113 123.975 122.820 0.070 0.000 2.574 342 A HA 0.674 4.995 4.320 0.001 0.000 0.297 342 A C -1.656 175.958 177.584 0.051 0.000 1.062 342 A CA -0.638 51.441 52.037 0.071 0.000 0.686 342 A CB 0.783 19.795 19.000 0.020 0.000 1.285 342 A HN 0.652 nan 8.150 nan 0.000 0.403 343 F N 2.003 121.936 119.950 -0.028 0.000 2.404 343 F HA 0.567 5.094 4.527 0.001 0.000 0.358 343 F C 0.049 175.695 175.800 -0.256 0.000 1.120 343 F CA -0.025 57.942 58.000 -0.055 0.000 1.144 343 F CB 0.973 40.017 39.000 0.072 0.000 1.133 343 F HN 0.561 nan 8.300 nan 0.000 0.495 344 D N 5.360 125.277 120.400 -0.804 0.000 3.118 344 D HA 0.183 4.824 4.640 0.001 0.000 0.259 344 D C -1.599 174.192 176.300 -0.849 0.000 1.292 344 D CA -0.033 53.653 54.000 -0.523 0.000 0.784 344 D CB -0.245 40.329 40.800 -0.377 0.000 1.413 344 D HN 0.350 nan 8.370 nan 0.000 0.583 348 V N 4.320 124.345 119.914 0.185 0.000 2.334 348 V HA 0.449 4.570 4.120 0.001 0.000 0.281 348 V C -1.813 174.401 176.094 0.199 0.000 1.016 348 V CA -1.177 61.266 62.300 0.239 0.000 0.832 348 V CB 1.397 33.388 31.823 0.278 0.000 0.999 348 V HN 0.530 nan 8.190 nan 0.000 0.439 349 P HA 0.401 nan 4.420 nan 0.000 0.276 349 P C -0.680 176.765 177.300 0.242 0.000 1.252 349 P CA -0.304 62.852 63.100 0.092 0.000 0.802 349 P CB 1.416 33.080 31.700 -0.061 0.000 1.035 350 S N -0.594 115.223 115.700 0.195 0.000 2.538 350 S HA 0.652 5.123 4.470 0.001 0.000 0.288 350 S C -0.734 174.018 174.600 0.254 0.000 1.108 350 S CA -0.691 57.693 58.200 0.305 0.000 0.971 350 S CB 1.193 64.624 63.200 0.385 0.000 1.041 350 S HN 0.232 nan 8.310 nan 0.000 0.483 351 V N 2.017 122.075 119.914 0.241 0.000 2.789 351 V HA 0.634 4.754 4.120 0.001 0.000 0.311 351 V C -0.848 175.354 176.094 0.180 0.000 1.073 351 V CA -0.742 61.612 62.300 0.091 0.000 0.921 351 V CB 2.092 33.770 31.823 -0.242 0.000 1.009 351 V HN 0.865 nan 8.190 nan 0.000 0.426 352 V N 4.064 124.082 119.914 0.173 0.000 2.378 352 V HA 0.327 4.448 4.120 0.001 0.000 0.288 352 V C -0.555 175.604 176.094 0.108 0.000 1.016 352 V CA -0.459 61.979 62.300 0.229 0.000 0.840 352 V CB 1.358 33.334 31.823 0.254 0.000 0.994 352 V HN 0.856 nan 8.190 nan 0.000 0.431 353 Y N 2.488 122.868 120.300 0.134 0.000 2.506 353 Y HA 0.109 4.660 4.550 0.001 0.000 0.333 353 Y C 1.774 177.734 175.900 0.100 0.000 1.177 353 Y CA -0.428 57.738 58.100 0.111 0.000 1.292 353 Y CB -0.800 37.719 38.460 0.097 0.000 1.124 353 Y HN 0.739 nan 8.280 nan 0.000 0.507 354 T N -3.014 111.658 114.554 0.197 0.000 2.698 354 T HA 0.364 4.715 4.350 0.001 0.000 0.295 354 T C 0.328 175.093 174.700 0.110 0.000 1.007 354 T CA -0.820 61.362 62.100 0.137 0.000 0.980 354 T CB 1.133 70.067 68.868 0.110 0.000 1.036 354 T HN 0.075 nan 8.240 nan 0.000 0.526 355 S N 2.815 118.557 115.700 0.069 0.000 2.707 355 S HA 0.461 4.932 4.470 0.001 0.000 0.312 355 S C -2.411 172.214 174.600 0.042 0.000 1.116 355 S CA -0.997 57.237 58.200 0.057 0.000 1.078 355 S CB 1.233 64.456 63.200 0.040 0.000 0.997 355 S HN 0.680 nan 8.310 nan 0.000 0.477 356 P HA 0.190 nan 4.420 nan 0.000 0.272 356 P C -0.476 176.880 177.300 0.093 0.000 1.240 356 P CA -0.380 62.766 63.100 0.078 0.000 0.791 356 P CB 0.773 32.521 31.700 0.080 0.000 0.978 357 E N -0.158 120.086 120.200 0.073 0.000 2.345 357 E HA 0.268 4.618 4.350 0.001 0.000 0.259 357 E C -0.952 175.724 176.600 0.127 0.000 1.117 357 E CA -0.225 56.216 56.400 0.068 0.000 0.913 357 E CB 0.797 30.475 29.700 -0.036 0.000 1.057 357 E HN 0.471 nan 8.360 nan 0.000 0.432 358 W N 0.301 121.578 121.300 -0.038 0.000 2.819 358 W HA 0.575 5.235 4.660 0.001 0.000 0.337 358 W C -1.595 174.908 176.519 -0.028 0.000 1.077 358 W CA -0.367 56.977 57.345 -0.001 0.000 1.226 358 W CB 1.556 31.034 29.460 0.030 0.000 1.419 358 W HN 0.516 nan 8.180 nan 0.000 0.502 359 A N 3.291 125.600 122.820 -0.852 0.000 2.574 359 A HA 0.887 5.207 4.320 0.001 0.000 0.297 359 A C -0.925 175.955 177.584 -1.172 0.000 1.062 359 A CA -0.330 51.267 52.037 -0.733 0.000 0.686 359 A CB 1.325 20.084 19.000 -0.402 0.000 1.285 359 A HN 1.282 nan 8.150 nan 0.000 0.403 360 G N -0.755 107.592 108.800 -0.756 0.000 2.742 360 G HA2 0.728 4.689 3.960 0.001 0.000 0.296 360 G HA3 0.728 4.689 3.960 0.001 0.000 0.296 360 G C -1.874 172.835 174.900 -0.318 0.000 1.436 360 G CA -0.144 44.591 45.100 -0.608 0.000 0.928 360 G HN 1.893 nan 8.290 nan 0.000 0.520 361 V N 0.582 120.194 119.914 -0.503 0.000 3.048 361 V HA 0.887 5.007 4.120 0.001 0.000 0.303 361 V C 0.568 176.481 176.094 -0.301 0.000 1.214 361 V CA 1.380 63.529 62.300 -0.252 0.000 0.984 361 V CB 1.547 33.252 31.823 -0.196 0.000 1.054 361 V HN 2.820 nan 8.190 nan 0.000 0.430 362 G N 4.331 113.075 108.800 -0.093 0.000 2.568 362 G HA2 -0.109 3.851 3.960 0.001 0.000 0.222 362 G HA3 -0.109 3.851 3.960 0.001 0.000 0.222 362 G C -0.939 174.016 174.900 0.092 0.000 1.321 362 G CA -0.217 44.855 45.100 -0.046 0.000 0.893 362 G HN 1.282 nan 8.290 nan 0.000 0.569 363 L N 1.564 122.853 121.223 0.111 0.000 2.312 363 L HA 0.553 4.894 4.340 0.001 0.000 0.281 363 L C 1.597 178.691 176.870 0.374 0.000 1.070 363 L CA -0.265 54.697 54.840 0.203 0.000 0.805 363 L CB 1.399 43.517 42.059 0.097 0.000 1.174 363 L HN 1.015 nan 8.230 nan 0.000 0.434 364 T N -2.048 112.697 114.554 0.318 0.000 2.754 364 T HA 0.131 4.481 4.350 0.001 0.000 0.286 364 T C 0.936 175.697 174.700 0.101 0.000 0.997 364 T CA -0.628 61.546 62.100 0.124 0.000 0.982 364 T CB 1.067 69.896 68.868 -0.065 0.000 1.027 364 T HN 0.645 nan 8.240 nan 0.000 0.529 365 E N 0.210 120.430 120.200 0.034 0.000 2.085 365 E HA -0.178 4.173 4.350 0.001 0.000 0.194 365 E C 2.218 178.852 176.600 0.056 0.000 0.994 365 E CA 1.263 57.695 56.400 0.053 0.000 0.801 365 E CB 0.016 29.731 29.700 0.025 0.000 0.743 365 E HN 0.626 nan 8.360 nan 0.000 0.453 366 E N 0.801 121.022 120.200 0.035 0.000 2.047 366 E HA -0.175 4.176 4.350 0.001 0.000 0.191 366 E C 1.986 178.627 176.600 0.068 0.000 0.987 366 E CA 0.939 57.364 56.400 0.042 0.000 0.799 366 E CB -0.097 29.617 29.700 0.023 0.000 0.752 366 E HN 0.391 nan 8.360 nan 0.000 0.449 367 E N 0.932 121.180 120.200 0.080 0.000 2.077 367 E HA -0.144 4.207 4.350 0.001 0.000 0.193 367 E C 2.082 178.767 176.600 0.141 0.000 0.989 367 E CA 0.968 57.429 56.400 0.103 0.000 0.800 367 E CB -0.129 29.640 29.700 0.114 0.000 0.746 367 E HN 0.177 nan 8.360 nan 0.000 0.452 368 A N 1.963 124.870 122.820 0.146 0.000 1.877 368 A HA -0.248 4.073 4.320 0.001 0.000 0.216 368 A C 1.990 179.734 177.584 0.266 0.000 1.186 368 A CA 1.645 53.806 52.037 0.207 0.000 0.620 368 A CB -0.351 18.711 19.000 0.104 0.000 0.822 368 A HN 0.056 nan 8.150 nan 0.000 0.443 369 K N -0.843 119.655 120.400 0.163 0.000 2.032 369 K HA -0.185 4.136 4.320 0.001 0.000 0.209 369 K C 2.370 179.032 176.600 0.103 0.000 1.048 369 K CA 1.608 57.971 56.287 0.127 0.000 0.927 369 K CB -0.221 32.328 32.500 0.082 0.000 0.712 369 K HN 0.485 nan 8.250 nan 0.000 0.441 370 R N 0.897 121.454 120.500 0.094 0.000 2.120 370 R HA -0.090 4.251 4.340 0.001 0.000 0.234 370 R C 1.946 178.286 176.300 0.066 0.000 1.123 370 R CA 1.296 57.437 56.100 0.068 0.000 0.975 370 R CB -0.144 30.194 30.300 0.063 0.000 0.866 370 R HN 0.190 nan 8.270 nan 0.000 0.446 371 A N -0.334 122.556 122.820 0.116 0.000 2.209 371 A HA 0.144 4.465 4.320 0.001 0.000 0.212 371 A C 1.410 178.945 177.584 -0.081 0.000 1.158 371 A CA 0.944 53.033 52.037 0.088 0.000 0.742 371 A CB -0.250 18.925 19.000 0.291 0.000 0.790 371 A HN 0.608 nan 8.150 nan 0.000 0.472 372 G N -2.793 105.987 108.800 -0.032 0.000 2.157 372 G HA2 -0.263 3.697 3.960 0.001 0.000 0.239 372 G HA3 -0.263 3.697 3.960 0.001 0.000 0.239 372 G C -0.018 174.800 174.900 -0.138 0.000 0.982 372 G CA 0.179 45.215 45.100 -0.106 0.000 0.650 372 G HN 0.440 nan 8.290 nan 0.000 0.527 373 Y N 0.227 120.551 120.300 0.040 0.000 2.300 373 Y HA 0.534 5.085 4.550 0.002 0.000 0.328 373 Y C 1.042 176.971 175.900 0.048 0.000 1.270 373 Y CA 0.374 58.503 58.100 0.048 0.000 1.352 373 Y CB 0.755 39.250 38.460 0.059 0.000 1.286 373 Y HN 0.292 nan 8.280 nan 0.000 0.536 374 K N 2.144 122.682 120.400 0.230 0.000 2.184 374 K HA 0.488 4.809 4.320 0.001 0.000 0.259 374 K C -0.672 176.019 176.600 0.152 0.000 1.119 374 K CA -0.441 55.932 56.287 0.143 0.000 0.991 374 K CB -0.770 31.797 32.500 0.112 0.000 1.522 374 K HN 0.570 nan 8.250 nan 0.000 0.405 375 V N 2.549 122.544 119.914 0.135 0.000 2.599 375 V HA 0.213 4.334 4.120 0.001 0.000 0.300 375 V C 0.482 176.610 176.094 0.057 0.000 1.034 375 V CA 0.099 62.466 62.300 0.112 0.000 1.115 375 V CB 0.718 32.600 31.823 0.098 0.000 0.934 375 V HN 0.862 nan 8.190 nan 0.000 0.485 376 K N 3.466 123.902 120.400 0.061 0.000 2.502 376 K HA 0.772 5.092 4.320 0.001 0.000 0.257 376 K C -1.326 175.263 176.600 -0.019 0.000 0.938 376 K CA -0.667 55.554 56.287 -0.110 0.000 0.819 376 K CB 2.431 34.713 32.500 -0.363 0.000 1.333 376 K HN 0.569 nan 8.250 nan 0.000 0.434 377 V N -1.109 118.733 119.914 -0.121 0.000 3.001 377 V HA 0.950 5.071 4.120 0.001 0.000 0.314 377 V C -0.407 175.714 176.094 0.044 0.000 1.099 377 V CA -0.681 61.658 62.300 0.066 0.000 0.989 377 V CB 1.761 33.623 31.823 0.065 0.000 1.040 377 V HN 0.812 nan 8.190 nan 0.000 0.434 378 G N 1.408 110.328 108.800 0.201 0.000 2.617 378 G HA2 0.726 4.686 3.960 0.001 0.000 0.306 378 G HA3 0.726 4.686 3.960 0.001 0.000 0.306 378 G C -1.250 173.736 174.900 0.143 0.000 1.360 378 G CA -0.931 44.273 45.100 0.174 0.000 0.983 378 G HN 0.820 nan 8.290 nan 0.000 0.496 379 K N 0.760 121.238 120.400 0.130 0.000 2.422 379 K HA 0.576 4.897 4.320 0.001 0.000 0.251 379 K C -2.008 174.713 176.600 0.202 0.000 0.933 379 K CA -0.788 55.581 56.287 0.136 0.000 0.798 379 K CB 3.028 35.577 32.500 0.083 0.000 1.238 379 K HN 0.373 nan 8.250 nan 0.000 0.428 380 F N 4.378 124.344 119.950 0.028 0.000 2.617 380 F HA 0.352 4.879 4.527 0.001 0.000 0.325 380 F C -2.594 173.219 175.800 0.022 0.000 1.179 380 F CA -2.014 56.001 58.000 0.025 0.000 0.965 380 F CB 1.732 40.742 39.000 0.017 0.000 1.232 380 F HN 0.312 nan 8.300 nan 0.000 0.461 381 P HA 0.199 nan 4.420 nan 0.000 0.282 381 P C 0.535 177.607 177.300 -0.381 0.000 1.249 381 P CA -0.279 62.624 63.100 -0.329 0.000 0.806 381 P CB 2.085 33.622 31.700 -0.272 0.000 0.984 382 L N 2.157 123.306 121.223 -0.123 0.000 2.362 382 L HA -0.131 4.210 4.340 0.001 0.000 0.219 382 L C 2.454 179.286 176.870 -0.063 0.000 1.134 382 L CA 1.213 56.031 54.840 -0.037 0.000 0.807 382 L CB -0.619 41.451 42.059 0.019 0.000 0.927 382 L HN 0.433 nan 8.230 nan 0.000 0.447 383 A N 0.007 122.765 122.820 -0.103 0.000 2.024 383 A HA -0.136 4.184 4.320 0.001 0.000 0.220 383 A C 2.100 179.633 177.584 -0.084 0.000 1.164 383 A CA 1.615 53.606 52.037 -0.075 0.000 0.643 383 A CB -0.395 18.560 19.000 -0.075 0.000 0.806 383 A HN 0.398 nan 8.150 nan 0.000 0.451 384 A N -0.815 121.904 122.820 -0.168 0.000 2.415 384 A HA 0.452 4.772 4.320 0.001 0.000 0.248 384 A C 0.941 178.540 177.584 0.026 0.000 1.299 384 A CA 0.562 52.536 52.037 -0.105 0.000 0.899 384 A CB -0.364 18.495 19.000 -0.235 0.000 0.997 384 A HN 0.366 nan 8.150 nan 0.000 0.506 385 S N -0.574 115.149 115.700 0.037 0.000 2.429 385 S HA 0.471 4.941 4.470 0.001 0.000 0.302 385 S C 1.422 176.025 174.600 0.005 0.000 1.115 385 S CA 0.031 58.278 58.200 0.077 0.000 1.095 385 S CB 1.032 64.304 63.200 0.120 0.000 0.987 385 S HN 0.466 nan 8.310 nan 0.000 0.474 386 G N 4.539 113.320 108.800 -0.031 0.000 2.418 386 G HA2 -0.191 3.769 3.960 0.001 0.000 0.217 386 G HA3 -0.191 3.769 3.960 0.001 0.000 0.217 386 G C 1.494 176.361 174.900 -0.054 0.000 1.158 386 G CA 0.573 45.651 45.100 -0.036 0.000 0.771 386 G HN 0.644 nan 8.290 nan 0.000 0.545 387 R N 1.314 121.764 120.500 -0.083 0.000 2.081 387 R HA 0.097 4.437 4.340 0.001 0.000 0.235 387 R C 2.758 179.044 176.300 -0.024 0.000 1.131 387 R CA 1.797 57.852 56.100 -0.075 0.000 0.960 387 R CB -1.061 29.188 30.300 -0.085 0.000 0.856 387 R HN 0.232 nan 8.270 nan 0.000 0.436 388 A N 0.384 123.204 122.820 0.000 0.000 1.908 388 A HA -0.149 4.172 4.320 0.001 0.000 0.218 388 A C 2.108 179.711 177.584 0.031 0.000 1.181 388 A CA 1.578 53.629 52.037 0.023 0.000 0.627 388 A CB -0.725 18.295 19.000 0.033 0.000 0.818 388 A HN 0.347 nan 8.150 nan 0.000 0.445 389 L N 0.375 121.609 121.223 0.020 0.000 2.046 389 L HA -0.123 4.217 4.340 0.001 0.000 0.208 389 L C 2.818 179.705 176.870 0.029 0.000 1.077 389 L CA 2.663 57.520 54.840 0.027 0.000 0.747 389 L CB -0.775 41.294 42.059 0.017 0.000 0.896 389 L HN 0.605 nan 8.230 nan 0.000 0.432 390 T N -3.607 110.949 114.554 0.003 0.000 3.051 390 T HA -0.108 4.243 4.350 0.001 0.000 0.269 390 T C 1.583 176.282 174.700 -0.001 0.000 1.127 390 T CA 0.908 63.000 62.100 -0.015 0.000 1.107 390 T CB -0.467 68.376 68.868 -0.043 0.000 0.898 390 T HN 0.336 nan 8.240 nan 0.000 0.517 391 L N 0.354 121.599 121.223 0.037 0.000 2.628 391 L HA 0.453 4.794 4.340 0.001 0.000 0.229 391 L C 1.909 178.901 176.870 0.203 0.000 1.137 391 L CA 0.336 55.222 54.840 0.077 0.000 0.909 391 L CB -0.073 42.012 42.059 0.045 0.000 1.137 391 L HN 0.592 nan 8.230 nan 0.000 0.470 392 G N -0.560 108.356 108.800 0.194 0.000 2.192 392 G HA2 -0.037 3.924 3.960 0.001 0.000 0.193 392 G HA3 -0.037 3.924 3.960 0.001 0.000 0.193 392 G C 0.452 175.447 174.900 0.158 0.000 0.999 392 G CA -0.392 44.861 45.100 0.255 0.000 0.659 392 G HN 0.715 nan 8.290 nan 0.000 0.503 393 G N -0.718 108.152 108.800 0.116 0.000 3.088 393 G HA2 0.584 4.545 3.960 0.001 0.000 0.620 393 G HA3 0.584 4.545 3.960 0.001 0.000 0.620 393 G C 0.233 175.177 174.900 0.073 0.000 1.375 393 G CA 0.861 46.010 45.100 0.081 0.000 1.016 393 G HN 2.002 nan 8.290 nan 0.000 0.590 394 A N 1.084 123.934 122.820 0.049 0.000 2.407 394 A HA 0.933 5.253 4.320 0.001 0.000 0.257 394 A C 1.007 178.618 177.584 0.045 0.000 1.131 394 A CA 1.735 53.796 52.037 0.040 0.000 0.803 394 A CB 0.263 19.273 19.000 0.017 0.000 1.083 394 A HN 2.711 nan 8.150 nan 0.000 0.512 395 E N -1.392 118.831 120.200 0.039 0.000 2.482 395 E HA 0.515 4.866 4.350 0.001 0.000 0.251 395 E C 0.197 176.825 176.600 0.046 0.000 1.151 395 E CA 0.600 57.027 56.400 0.044 0.000 0.547 395 E CB -0.647 29.090 29.700 0.063 0.000 1.084 395 E HN 2.767 nan 8.360 nan 0.000 0.417 396 G N 0.057 108.877 108.800 0.034 0.000 2.345 396 G HA2 0.815 4.776 3.960 0.001 0.000 0.285 396 G HA3 0.815 4.776 3.960 0.001 0.000 0.285 396 G C -0.412 174.507 174.900 0.031 0.000 1.297 396 G CA 0.421 45.547 45.100 0.043 0.000 0.875 396 G HN 1.886 nan 8.290 nan 0.000 0.506 397 M N -1.937 117.691 119.600 0.047 0.000 2.790 397 M HA 0.754 5.235 4.480 0.001 0.000 0.272 397 M C -1.956 174.386 176.300 0.070 0.000 1.168 397 M CA -1.028 54.304 55.300 0.054 0.000 0.829 397 M CB 1.898 34.525 32.600 0.045 0.000 1.675 397 M HN 0.766 nan 8.290 nan 0.000 0.505 398 V N 1.631 121.609 119.914 0.106 0.000 2.540 398 V HA 0.674 4.795 4.120 0.001 0.000 0.302 398 V C -0.890 175.269 176.094 0.107 0.000 1.035 398 V CA -0.475 61.875 62.300 0.084 0.000 0.873 398 V CB 2.028 33.899 31.823 0.080 0.000 0.992 398 V HN 0.822 nan 8.190 nan 0.000 0.428 399 K N 3.953 124.416 120.400 0.106 0.000 2.463 399 K HA 0.734 5.054 4.320 0.001 0.000 0.255 399 K C -1.167 175.517 176.600 0.140 0.000 0.942 399 K CA -0.543 55.830 56.287 0.143 0.000 0.814 399 K CB 2.048 34.657 32.500 0.182 0.000 1.122 399 K HN 0.609 nan 8.250 nan 0.000 0.425 400 V N 1.145 121.130 119.914 0.119 0.000 2.513 400 V HA 0.658 4.778 4.120 0.001 0.000 0.299 400 V C -0.611 175.574 176.094 0.153 0.000 1.035 400 V CA -0.776 61.569 62.300 0.076 0.000 0.889 400 V CB 1.565 33.383 31.823 -0.008 0.000 0.988 400 V HN 0.398 nan 8.190 nan 0.000 0.440 401 V N 4.257 124.245 119.914 0.123 0.000 2.459 401 V HA 0.970 5.091 4.120 0.001 0.000 0.295 401 V C 0.741 176.879 176.094 0.075 0.000 1.029 401 V CA 0.587 62.980 62.300 0.155 0.000 0.874 401 V CB 1.064 32.996 31.823 0.181 0.000 0.985 401 V HN 1.393 nan 8.190 nan 0.000 0.438 402 G N 2.543 111.453 108.800 0.183 0.000 2.687 402 G HA2 0.537 4.497 3.960 0.001 0.000 0.291 402 G HA3 0.537 4.497 3.960 0.001 0.000 0.291 402 G C -1.969 173.043 174.900 0.187 0.000 1.420 402 G CA -0.611 44.532 45.100 0.073 0.000 0.796 402 G HN 0.606 nan 8.290 nan 0.000 0.485 403 D N -0.727 119.750 120.400 0.127 0.000 2.274 403 D HA 0.273 4.914 4.640 0.001 0.000 0.239 403 D C 1.577 178.053 176.300 0.293 0.000 1.104 403 D CA -0.340 53.785 54.000 0.207 0.000 0.840 403 D CB 1.182 42.116 40.800 0.222 0.000 1.100 403 D HN 0.511 nan 8.370 nan 0.000 0.477 404 E N 2.443 122.799 120.200 0.261 0.000 2.265 404 E HA -0.234 4.117 4.350 0.001 0.000 0.196 404 E C 1.151 177.867 176.600 0.194 0.000 0.996 404 E CA 0.875 57.413 56.400 0.230 0.000 0.832 404 E CB 0.147 29.897 29.700 0.083 0.000 0.756 404 E HN 0.635 nan 8.360 nan 0.000 0.491 405 E N 0.696 120.996 120.200 0.166 0.000 2.127 405 E HA -0.076 4.275 4.350 0.001 0.000 0.191 405 E C 1.818 178.492 176.600 0.124 0.000 0.964 405 E CA 1.458 57.935 56.400 0.127 0.000 0.832 405 E CB 0.293 30.055 29.700 0.103 0.000 0.790 405 E HN 0.400 nan 8.360 nan 0.000 0.465 406 T N -2.614 112.022 114.554 0.137 0.000 3.044 406 T HA 0.072 4.423 4.350 0.001 0.000 0.250 406 T C 0.608 175.366 174.700 0.098 0.000 1.081 406 T CA 0.647 62.812 62.100 0.108 0.000 1.040 406 T CB 0.240 69.174 68.868 0.111 0.000 0.962 406 T HN 0.201 nan 8.240 nan 0.000 0.506 407 D N -0.693 119.785 120.400 0.130 0.000 3.079 407 D HA -0.145 4.495 4.640 0.001 0.000 0.214 407 D C -0.300 175.978 176.300 -0.038 0.000 1.145 407 D CA 0.444 54.498 54.000 0.090 0.000 0.958 407 D CB -1.786 39.085 40.800 0.118 0.000 1.117 407 D HN 0.533 nan 8.370 nan 0.000 0.416 408 L N 0.589 121.806 121.223 -0.010 0.000 2.416 408 L HA 0.396 4.736 4.340 0.001 0.000 0.272 408 L C -0.119 176.671 176.870 -0.134 0.000 1.161 408 L CA -0.279 54.527 54.840 -0.056 0.000 0.845 408 L CB 0.635 42.688 42.059 -0.010 0.000 1.119 408 L HN 0.226 nan 8.230 nan 0.000 0.464 409 L N 5.572 126.703 121.223 -0.153 0.000 2.360 409 L HA 0.215 4.556 4.340 0.001 0.000 0.276 409 L C 0.283 177.053 176.870 -0.166 0.000 1.121 409 L CA 0.640 55.371 54.840 -0.181 0.000 0.845 409 L CB 0.554 42.514 42.059 -0.166 0.000 1.143 409 L HN 0.785 nan 8.230 nan 0.000 0.452 410 L N 4.348 125.468 121.223 -0.172 0.000 2.577 410 L HA 0.522 4.863 4.340 0.001 0.000 0.225 410 L C 0.897 177.696 176.870 -0.118 0.000 1.053 410 L CA 0.302 55.026 54.840 -0.193 0.000 0.866 410 L CB 0.034 41.917 42.059 -0.293 0.000 1.132 410 L HN 0.779 nan 8.230 nan 0.000 0.486 411 G N -0.441 108.301 108.800 -0.097 0.000 2.673 411 G HA2 0.560 4.520 3.960 0.001 0.000 0.292 411 G HA3 0.560 4.520 3.960 0.001 0.000 0.292 411 G C -1.980 172.761 174.900 -0.264 0.000 1.450 411 G CA -0.312 44.693 45.100 -0.160 0.000 0.837 411 G HN -0.280 nan 8.290 nan 0.000 0.505 412 V N 0.391 119.924 119.914 -0.634 0.000 2.686 412 V HA 0.709 4.830 4.120 0.001 0.000 0.306 412 V C -1.365 174.117 176.094 -1.021 0.000 1.065 412 V CA -0.684 61.288 62.300 -0.547 0.000 0.894 412 V CB 1.616 33.230 31.823 -0.350 0.000 1.004 412 V HN 0.637 nan 8.190 nan 0.000 0.424 413 F N 4.533 124.392 119.950 -0.151 0.000 2.547 413 F HA 0.747 5.274 4.527 0.001 0.000 0.316 413 F C -0.169 175.465 175.800 -0.277 0.000 1.121 413 F CA -0.610 57.224 58.000 -0.277 0.000 0.911 413 F CB 1.864 40.792 39.000 -0.119 0.000 1.179 413 F HN 0.206 nan 8.300 nan 0.000 0.443 414 I N 3.401 123.771 120.570 -0.334 0.000 2.582 414 I HA 0.617 4.787 4.170 0.001 0.000 0.292 414 I C -1.374 174.580 176.117 -0.271 0.000 1.066 414 I CA -1.196 59.965 61.300 -0.233 0.000 1.053 414 I CB 2.388 40.258 38.000 -0.217 0.000 1.241 414 I HN 0.336 nan 8.210 nan 0.000 0.421 415 V N 5.088 124.958 119.914 -0.074 0.000 2.525 415 V HA 0.996 5.117 4.120 0.001 0.000 0.299 415 V C -0.265 175.850 176.094 0.035 0.000 1.034 415 V CA 0.384 62.701 62.300 0.029 0.000 0.863 415 V CB 1.252 33.172 31.823 0.160 0.000 0.999 415 V HN 1.066 nan 8.190 nan 0.000 0.423 416 G N 6.598 115.418 108.800 0.034 0.000 2.359 416 G HA2 0.280 4.241 3.960 0.001 0.000 0.293 416 G HA3 0.280 4.241 3.960 0.001 0.000 0.293 416 G C -3.508 171.407 174.900 0.024 0.000 1.300 416 G CA -0.343 44.778 45.100 0.036 0.000 0.888 416 G HN 0.651 nan 8.290 nan 0.000 0.541 417 P HA 0.208 nan 4.420 nan 0.000 0.271 417 P C -0.236 177.065 177.300 0.001 0.000 1.216 417 P CA 0.651 63.765 63.100 0.024 0.000 0.776 417 P CB 1.149 32.867 31.700 0.030 0.000 0.881 418 Q N 0.054 119.851 119.800 -0.005 0.000 2.452 418 Q HA -0.275 4.066 4.340 0.001 0.000 0.248 418 Q C 1.381 177.342 176.000 -0.064 0.000 0.874 418 Q CA 1.397 57.185 55.803 -0.025 0.000 1.208 418 Q CB -2.805 25.924 28.738 -0.015 0.000 1.569 418 Q HN 0.707 nan 8.270 nan 0.000 0.579 419 A N 0.177 122.948 122.820 -0.081 0.000 1.917 419 A HA -0.079 4.242 4.320 0.001 0.000 0.219 419 A C 2.216 179.695 177.584 -0.175 0.000 1.182 419 A CA 2.338 54.297 52.037 -0.129 0.000 0.633 419 A CB -0.928 17.985 19.000 -0.144 0.000 0.819 419 A HN 0.634 nan 8.150 nan 0.000 0.448 420 G N -0.828 107.846 108.800 -0.210 0.000 2.432 420 G HA2 -0.175 3.786 3.960 0.001 0.000 0.219 420 G HA3 -0.175 3.786 3.960 0.001 0.000 0.219 420 G C 1.372 176.178 174.900 -0.158 0.000 1.135 420 G CA 0.989 45.934 45.100 -0.258 0.000 0.767 420 G HN 0.548 nan 8.290 nan 0.000 0.550 421 E N 0.214 120.352 120.200 -0.105 0.000 2.170 421 E HA 0.078 4.428 4.350 0.001 0.000 0.191 421 E C 2.623 179.176 176.600 -0.078 0.000 0.981 421 E CA 0.184 56.542 56.400 -0.069 0.000 0.830 421 E CB -0.098 29.580 29.700 -0.038 0.000 0.775 421 E HN 0.459 nan 8.360 nan 0.000 0.470 422 L N 0.287 121.457 121.223 -0.087 0.000 2.240 422 L HA -0.024 4.317 4.340 0.001 0.000 0.211 422 L C 2.356 179.160 176.870 -0.109 0.000 1.106 422 L CA 0.150 54.941 54.840 -0.081 0.000 0.793 422 L CB -0.236 41.780 42.059 -0.073 0.000 0.927 422 L HN 0.041 nan 8.230 nan 0.000 0.446 423 I N 0.673 121.154 120.570 -0.149 0.000 2.614 423 I HA -0.187 3.983 4.170 0.001 0.000 0.258 423 I C 2.513 178.540 176.117 -0.149 0.000 1.189 423 I CA 0.940 62.132 61.300 -0.180 0.000 1.462 423 I CB -0.234 37.630 38.000 -0.227 0.000 1.092 423 I HN 0.129 nan 8.210 nan 0.000 0.442 424 A N -0.429 122.316 122.820 -0.126 0.000 1.933 424 A HA -0.256 4.064 4.320 0.001 0.000 0.218 424 A C 2.367 179.894 177.584 -0.094 0.000 1.175 424 A CA 1.814 53.785 52.037 -0.109 0.000 0.628 424 A CB -0.702 18.241 19.000 -0.096 0.000 0.814 424 A HN 0.564 nan 8.150 nan 0.000 0.444 425 E N -0.101 120.048 120.200 -0.084 0.000 2.110 425 E HA -0.126 4.225 4.350 0.001 0.000 0.193 425 E C 2.097 178.651 176.600 -0.076 0.000 0.988 425 E CA 0.957 57.315 56.400 -0.069 0.000 0.804 425 E CB -0.214 29.461 29.700 -0.041 0.000 0.745 425 E HN 0.550 nan 8.360 nan 0.000 0.458 426 A N 1.139 123.899 122.820 -0.100 0.000 1.930 426 A HA -0.031 4.290 4.320 0.001 0.000 0.217 426 A C 2.369 179.882 177.584 -0.117 0.000 1.175 426 A CA 1.552 53.515 52.037 -0.123 0.000 0.627 426 A CB -0.615 18.278 19.000 -0.178 0.000 0.815 426 A HN 0.394 nan 8.150 nan 0.000 0.443 427 A N -0.320 122.433 122.820 -0.112 0.000 1.902 427 A HA -0.046 4.275 4.320 0.001 0.000 0.217 427 A C 2.135 179.678 177.584 -0.068 0.000 1.181 427 A CA 1.752 53.737 52.037 -0.087 0.000 0.623 427 A CB -0.647 18.303 19.000 -0.084 0.000 0.818 427 A HN 0.711 nan 8.150 nan 0.000 0.443 428 L N -0.143 121.039 121.223 -0.070 0.000 2.017 428 L HA -0.067 4.274 4.340 0.001 0.000 0.208 428 L C 2.668 179.505 176.870 -0.054 0.000 1.073 428 L CA 2.268 57.073 54.840 -0.059 0.000 0.745 428 L CB -0.907 41.115 42.059 -0.062 0.000 0.894 428 L HN 0.350 nan 8.230 nan 0.000 0.432 429 A N -0.308 122.475 122.820 -0.062 0.000 1.892 429 A HA -0.224 4.096 4.320 0.001 0.000 0.218 429 A C 2.283 179.831 177.584 -0.060 0.000 1.188 429 A CA 2.300 54.300 52.037 -0.062 0.000 0.631 429 A CB -1.041 17.916 19.000 -0.072 0.000 0.822 429 A HN 0.534 nan 8.150 nan 0.000 0.447 430 L N -0.797 120.386 121.223 -0.066 0.000 2.046 430 L HA -0.171 4.170 4.340 0.001 0.000 0.208 430 L C 2.689 179.540 176.870 -0.033 0.000 1.077 430 L CA 1.324 56.129 54.840 -0.057 0.000 0.747 430 L CB -0.648 41.373 42.059 -0.063 0.000 0.896 430 L HN 0.363 nan 8.230 nan 0.000 0.432 431 E N -0.093 120.093 120.200 -0.023 0.000 2.110 431 E HA -0.180 4.170 4.350 0.001 0.000 0.193 431 E C 2.078 178.672 176.600 -0.010 0.000 0.988 431 E CA 1.129 57.527 56.400 -0.004 0.000 0.804 431 E CB -0.140 29.565 29.700 0.008 0.000 0.745 431 E HN 0.415 nan 8.360 nan 0.000 0.458 432 M N -0.697 118.890 119.600 -0.022 0.000 2.618 432 M HA 0.099 4.579 4.480 0.001 0.000 0.240 432 M C 0.918 177.205 176.300 -0.021 0.000 1.123 432 M CA 0.634 55.922 55.300 -0.022 0.000 1.060 432 M CB -0.579 32.004 32.600 -0.029 0.000 1.535 432 M HN 0.173 nan 8.290 nan 0.000 0.507 433 G N 1.493 110.279 108.800 -0.024 0.000 2.246 433 G HA2 -0.162 3.798 3.960 0.001 0.000 0.273 433 G HA3 -0.162 3.798 3.960 0.001 0.000 0.273 433 G C 0.324 175.206 174.900 -0.030 0.000 1.055 433 G CA 0.279 45.366 45.100 -0.022 0.000 0.851 433 G HN 0.788 nan 8.290 nan 0.000 0.500 434 A N -0.174 122.620 122.820 -0.043 0.000 2.386 434 A HA 0.806 5.126 4.320 0.001 0.000 0.248 434 A C 1.047 178.591 177.584 -0.066 0.000 1.082 434 A CA 1.011 53.019 52.037 -0.050 0.000 0.789 434 A CB 0.401 19.368 19.000 -0.055 0.000 1.025 434 A HN 1.817 nan 8.150 nan 0.000 0.490 435 T N -0.594 113.922 114.554 -0.063 0.000 2.936 435 T HA 0.470 4.820 4.350 0.001 0.000 0.282 435 T C 1.038 175.661 174.700 -0.128 0.000 1.003 435 T CA -0.873 61.176 62.100 -0.085 0.000 1.005 435 T CB 0.546 69.391 68.868 -0.040 0.000 1.097 435 T HN 0.286 nan 8.240 nan 0.000 0.532 436 L N 0.557 121.643 121.223 -0.228 0.000 2.131 436 L HA -0.062 4.278 4.340 0.001 0.000 0.210 436 L C 2.744 179.568 176.870 -0.077 0.000 1.092 436 L CA 1.789 56.434 54.840 -0.324 0.000 0.759 436 L CB -1.937 39.595 42.059 -0.879 0.000 0.903 436 L HN 0.871 nan 8.230 nan 0.000 0.435 437 T N -0.915 113.668 114.554 0.049 0.000 2.857 437 T HA -0.126 4.225 4.350 0.001 0.000 0.266 437 T C 1.477 176.183 174.700 0.011 0.000 1.048 437 T CA 0.980 63.119 62.100 0.065 0.000 1.139 437 T CB -0.044 68.837 68.868 0.021 0.000 0.874 437 T HN 0.285 nan 8.240 nan 0.000 0.455 438 D N 1.083 121.475 120.400 -0.013 0.000 2.123 438 D HA -0.059 4.581 4.640 0.001 0.000 0.196 438 D C 2.037 178.336 176.300 -0.003 0.000 0.992 438 D CA 0.718 54.709 54.000 -0.015 0.000 0.833 438 D CB -0.336 40.448 40.800 -0.027 0.000 0.954 438 D HN 0.201 nan 8.370 nan 0.000 0.455 439 L N 0.984 122.198 121.223 -0.015 0.000 2.027 439 L HA -0.017 4.324 4.340 0.001 0.000 0.206 439 L C 2.148 179.042 176.870 0.040 0.000 1.074 439 L CA 1.690 56.539 54.840 0.015 0.000 0.745 439 L CB -0.814 41.218 42.059 -0.045 0.000 0.898 439 L HN -0.045 nan 8.230 nan 0.000 0.433 440 A N -0.801 122.020 122.820 0.002 0.000 1.972 440 A HA -0.109 4.211 4.320 0.001 0.000 0.219 440 A C 2.143 179.744 177.584 0.028 0.000 1.169 440 A CA 1.689 53.728 52.037 0.004 0.000 0.635 440 A CB -0.763 18.263 19.000 0.043 0.000 0.810 440 A HN 0.486 nan 8.150 nan 0.000 0.446 441 L N -0.132 121.110 121.223 0.031 0.000 2.591 441 L HA 0.039 4.379 4.340 0.001 0.000 0.228 441 L C 0.220 177.111 176.870 0.035 0.000 1.133 441 L CA -0.032 54.823 54.840 0.025 0.000 0.880 441 L CB -0.357 41.707 42.059 0.007 0.000 1.033 441 L HN 0.146 nan 8.230 nan 0.000 0.450 442 T N 0.683 115.278 114.554 0.067 0.000 2.832 442 T HA 0.180 4.530 4.350 0.001 0.000 0.296 442 T C 0.279 175.038 174.700 0.099 0.000 0.968 442 T CA -0.191 61.929 62.100 0.034 0.000 1.107 442 T CB 2.042 70.900 68.868 -0.015 0.000 0.916 442 T HN -0.233 nan 8.240 nan 0.000 0.517 443 V N 5.852 125.776 119.914 0.018 0.000 2.352 443 V HA 0.112 4.233 4.120 0.001 0.000 0.253 443 V C 0.180 176.286 176.094 0.020 0.000 1.083 443 V CA -0.449 61.882 62.300 0.052 0.000 0.993 443 V CB -1.012 30.820 31.823 0.015 0.000 1.111 443 V HN 0.788 nan 8.190 nan 0.000 0.490 444 H N 6.115 125.176 119.070 -0.015 0.000 2.582 444 H HA 0.335 4.892 4.556 0.001 0.000 0.345 444 H C -1.894 173.442 175.328 0.013 0.000 1.104 444 H CA -1.628 54.413 56.048 -0.012 0.000 1.390 444 H CB 0.375 30.122 29.762 -0.026 0.000 1.461 444 H HN 0.441 nan 8.280 nan 0.000 0.551 445 P HA 0.027 nan 4.420 nan 0.000 0.268 445 P C -0.678 176.686 177.300 0.108 0.000 1.205 445 P CA 0.055 63.201 63.100 0.077 0.000 0.771 445 P CB 0.844 32.559 31.700 0.025 0.000 0.858 446 H N 3.076 122.161 119.070 0.026 0.000 2.489 446 H HA 0.509 5.065 4.556 0.001 0.000 0.343 446 H C -2.124 173.210 175.328 0.011 0.000 1.086 446 H CA -1.638 54.422 56.048 0.020 0.000 1.198 446 H CB 1.056 30.836 29.762 0.030 0.000 1.490 446 H HN 0.306 nan 8.280 nan 0.000 0.504 447 P HA 0.314 nan 4.420 nan 0.000 0.300 447 P C -1.339 175.802 177.300 -0.265 0.000 1.326 447 P CA -0.597 62.066 63.100 -0.730 0.000 0.844 447 P CB 1.822 33.070 31.700 -0.752 0.000 0.992 448 T N -1.228 113.230 114.554 -0.160 0.000 2.868 448 T HA 0.342 4.692 4.350 0.001 0.000 0.306 448 T C 1.034 175.713 174.700 -0.035 0.000 1.224 448 T CA -0.894 61.166 62.100 -0.067 0.000 1.012 448 T CB 0.801 69.657 68.868 -0.019 0.000 1.221 448 T HN 0.107 nan 8.240 nan 0.000 0.499 449 L N 1.450 122.663 121.223 -0.018 0.000 2.201 449 L HA -0.019 4.321 4.340 0.001 0.000 0.212 449 L C 3.056 179.926 176.870 -0.001 0.000 1.105 449 L CA 1.465 56.305 54.840 0.000 0.000 0.775 449 L CB -0.598 41.462 42.059 0.001 0.000 0.913 449 L HN 0.957 nan 8.230 nan 0.000 0.440 450 S N -0.401 115.307 115.700 0.013 0.000 2.419 450 S HA -0.230 4.241 4.470 0.001 0.000 0.235 450 S C 1.654 176.236 174.600 -0.031 0.000 1.019 450 S CA 1.199 59.427 58.200 0.047 0.000 0.982 450 S CB -0.364 62.921 63.200 0.142 0.000 0.789 450 S HN 0.495 nan 8.310 nan 0.000 0.490 451 E N 1.094 121.258 120.200 -0.062 0.000 2.209 451 E HA -0.086 4.265 4.350 0.001 0.000 0.196 451 E C 2.042 178.431 176.600 -0.352 0.000 0.993 451 E CA 1.136 57.413 56.400 -0.205 0.000 0.819 451 E CB -0.260 29.398 29.700 -0.070 0.000 0.745 451 E HN 0.606 nan 8.360 nan 0.000 0.477 452 S N 0.768 116.340 115.700 -0.213 0.000 2.399 452 S HA -0.146 4.324 4.470 0.001 0.000 0.231 452 S C 1.774 176.237 174.600 -0.228 0.000 1.022 452 S CA 0.604 58.689 58.200 -0.192 0.000 0.983 452 S CB -0.095 63.182 63.200 0.129 0.000 0.803 452 S HN 0.177 nan 8.310 nan 0.000 0.480 453 L N 1.400 122.485 121.223 -0.230 0.000 2.072 453 L HA 0.139 4.480 4.340 0.001 0.000 0.205 453 L C 2.124 178.807 176.870 -0.312 0.000 1.079 453 L CA 1.620 56.335 54.840 -0.209 0.000 0.752 453 L CB -0.600 41.373 42.059 -0.144 0.000 0.906 453 L HN 0.321 nan 8.230 nan 0.000 0.436 454 M N -1.012 118.248 119.600 -0.566 0.000 2.117 454 M HA -0.205 4.276 4.480 0.001 0.000 0.262 454 M C 1.920 178.016 176.300 -0.339 0.000 1.065 454 M CA 1.848 56.831 55.300 -0.528 0.000 1.114 454 M CB -0.127 32.010 32.600 -0.773 0.000 1.361 454 M HN 0.327 nan 8.290 nan 0.000 0.408 455 E N 0.033 119.953 120.200 -0.466 0.000 2.216 455 E HA -0.088 4.262 4.350 0.001 0.000 0.192 455 E C 1.953 178.412 176.600 -0.234 0.000 0.988 455 E CA 0.904 57.010 56.400 -0.490 0.000 0.834 455 E CB -0.087 28.889 29.700 -1.207 0.000 0.772 455 E HN 0.645 nan 8.360 nan 0.000 0.479 456 A N 1.685 124.409 122.820 -0.160 0.000 1.930 456 A HA -0.059 4.261 4.320 0.001 0.000 0.217 456 A C 2.401 180.000 177.584 0.024 0.000 1.175 456 A CA 1.511 53.576 52.037 0.046 0.000 0.627 456 A CB -0.417 18.616 19.000 0.054 0.000 0.815 456 A HN 0.269 nan 8.150 nan 0.000 0.443 457 A N 0.017 122.799 122.820 -0.062 0.000 1.930 457 A HA -0.143 4.178 4.320 0.001 0.000 0.217 457 A C 1.883 179.466 177.584 -0.002 0.000 1.175 457 A CA 1.581 53.569 52.037 -0.083 0.000 0.627 457 A CB -0.470 18.459 19.000 -0.117 0.000 0.815 457 A HN 0.642 nan 8.150 nan 0.000 0.443 458 E N -0.041 120.166 120.200 0.011 0.000 2.072 458 E HA -0.079 4.271 4.350 0.001 0.000 0.191 458 E C 2.279 178.950 176.600 0.118 0.000 0.985 458 E CA 0.942 57.386 56.400 0.074 0.000 0.801 458 E CB -0.320 29.387 29.700 0.012 0.000 0.750 458 E HN 0.600 nan 8.360 nan 0.000 0.452 459 A N 1.119 124.006 122.820 0.110 0.000 1.972 459 A HA -0.194 4.126 4.320 0.001 0.000 0.219 459 A C 1.973 179.627 177.584 0.117 0.000 1.169 459 A CA 1.039 53.154 52.037 0.130 0.000 0.635 459 A CB -0.759 18.341 19.000 0.167 0.000 0.810 459 A HN 0.353 nan 8.150 nan 0.000 0.446 460 F N 0.469 120.367 119.950 -0.086 0.000 2.202 460 F HA -0.189 4.339 4.527 0.001 0.000 0.301 460 F C 1.702 177.374 175.800 -0.214 0.000 1.082 460 F CA 2.036 59.923 58.000 -0.188 0.000 1.313 460 F CB -0.316 38.488 39.000 -0.326 0.000 1.024 460 F HN 0.445 nan 8.300 nan 0.000 0.495 461 H N 0.354 119.604 119.070 0.300 0.000 2.507 461 H HA 0.193 4.749 4.556 0.001 0.000 0.294 461 H C 0.164 175.539 175.328 0.078 0.000 1.064 461 H CA -0.270 55.888 56.048 0.183 0.000 1.138 461 H CB 0.083 29.958 29.762 0.189 0.000 1.515 461 H HN -0.116 nan 8.280 nan 0.000 0.547 462 K N 0.784 121.262 120.400 0.131 0.000 3.088 462 K HA -0.250 4.070 4.320 0.001 0.000 0.273 462 K C 0.045 176.696 176.600 0.084 0.000 1.111 462 K CA 1.083 57.419 56.287 0.081 0.000 0.803 462 K CB -1.997 30.535 32.500 0.052 0.000 1.226 462 K HN 0.771 nan 8.250 nan 0.000 0.485 463 Q N -1.774 118.088 119.800 0.103 0.000 2.106 463 Q HA 0.521 4.861 4.340 0.001 0.000 0.273 463 Q C 0.143 176.176 176.000 0.055 0.000 0.853 463 Q CA -0.004 55.841 55.803 0.071 0.000 1.118 463 Q CB 0.918 29.696 28.738 0.067 0.000 1.240 463 Q HN 0.252 nan 8.270 nan 0.000 0.445 464 A N 1.109 123.975 122.820 0.076 0.000 2.483 464 A HA 0.213 4.534 4.320 0.001 0.000 0.238 464 A C 0.900 178.511 177.584 0.045 0.000 1.070 464 A CA -0.234 51.849 52.037 0.078 0.000 0.770 464 A CB 0.187 19.297 19.000 0.182 0.000 1.008 464 A HN 0.454 nan 8.150 nan 0.000 0.497 465 I N 0.819 121.375 120.570 -0.022 0.000 2.494 465 I HA -0.063 4.108 4.170 0.001 0.000 0.250 465 I C 1.545 177.581 176.117 -0.135 0.000 1.112 465 I CA 1.560 62.775 61.300 -0.141 0.000 1.438 465 I CB -1.583 36.220 38.000 -0.328 0.000 1.111 465 I HN 0.834 nan 8.210 nan 0.000 0.431 466 H N 1.239 120.412 119.070 0.172 0.000 2.543 466 H HA 0.291 4.847 4.556 0.001 0.000 0.269 466 H C 0.383 175.816 175.328 0.175 0.000 1.005 466 H CA 0.043 56.214 56.048 0.205 0.000 1.146 466 H CB 0.045 29.991 29.762 0.308 0.000 1.353 466 H HN 0.311 nan 8.280 nan 0.000 0.595 467 I N -2.962 117.750 120.570 0.236 0.000 2.894 467 I HA 0.314 4.485 4.170 0.001 0.000 0.302 467 I C -1.044 175.123 176.117 0.084 0.000 1.188 467 I CA -1.372 60.000 61.300 0.120 0.000 1.014 467 I CB 2.373 40.415 38.000 0.071 0.000 1.242 467 I HN -0.180 nan 8.210 nan 0.000 0.430 468 L N 4.423 125.674 121.223 0.048 0.000 2.367 468 L HA 0.324 4.665 4.340 0.001 0.000 0.275 468 L C 0.449 177.341 176.870 0.037 0.000 1.129 468 L CA -0.117 54.745 54.840 0.036 0.000 0.839 468 L CB 0.144 42.217 42.059 0.023 0.000 1.133 468 L HN 0.656 nan 8.230 nan 0.000 0.453 469 N N 0.000 118.722 118.700 0.037 0.000 1.763 469 N HA 0.000 4.741 4.740 0.001 0.000 0.220 469 N CA 0.000 53.072 53.050 0.037 0.000 0.885 469 N CB 0.000 38.512 38.487 0.042 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667