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 1m63_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSEPKAIDPK LSTTDRVVKA VPFPPSHRLT AKEVFDNDGK PRVDILKAHL DATA SEQUENCE MKEGRLEESV ALRIITEGAS ILRQEKNLLD IDAPVTVCGD IHGQFFDLMK DATA SEQUENCE LFEVGGSPAN TRYLFLGDYV DRGYFSIECV LYLWALKILY PKTLFLLRGN DATA SEQUENCE HECRHLTEYF TFKQECKIKY SERVYDACMD AFDCLPLAAL MNQQFLCVHG DATA SEQUENCE GLSPEINTLD DIRKLDRFKE PPAYGPMCDI LWSDPLEDFG NEKTQEHFTH DATA SEQUENCE NTVRGCSYFY SYPAVCEFLQ HNNLLSILRA HEAQDAGYRM YRKSQTTGFP DATA SEQUENCE SLITIFSAPN YLDVYNNKAA VLKYENNVMN IRQFNCSPHP YWLPNFMDVF DATA SEQUENCE TWSLPFVGEK VTEMLVNVLN IC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.001 0.000 1.140 1 M CA 0.000 55.300 55.300 0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 S N 2.104 117.804 115.700 0.001 0.000 2.331 2 S HA 0.053 4.523 4.470 -0.000 0.000 0.208 2 S C 0.600 175.200 174.600 0.001 0.000 1.032 2 S CA 1.813 60.013 58.200 0.001 0.000 0.991 2 S CB -0.037 63.163 63.200 0.001 0.000 0.980 2 S HN 0.779 nan 8.310 nan 0.000 0.433 3 E N 1.514 121.714 120.200 0.001 0.000 5.927 3 E HA -0.112 4.238 4.350 -0.000 0.000 0.230 3 E C -2.530 174.071 176.600 0.001 0.000 1.566 3 E CA -0.002 56.398 56.400 0.001 0.000 1.286 3 E CB -0.390 29.311 29.700 0.001 0.000 0.975 3 E HN 0.406 nan 8.360 nan 0.000 0.314 4 P HA -0.022 nan 4.420 nan 0.000 0.266 4 P C -0.440 176.861 177.300 0.001 0.000 1.215 4 P CA 0.440 63.540 63.100 0.001 0.000 0.763 4 P CB 0.469 32.169 31.700 0.001 0.000 0.806 5 K N 2.127 122.527 120.400 0.001 0.000 2.109 5 K HA 0.691 5.011 4.320 -0.000 0.000 0.243 5 K C -0.501 176.100 176.600 0.001 0.000 1.006 5 K CA -1.074 55.214 56.287 0.001 0.000 0.917 5 K CB 1.072 33.573 32.500 0.001 0.000 1.081 5 K HN 0.313 nan 8.250 nan 0.000 0.468 6 A N 2.723 125.544 122.820 0.001 0.000 2.249 6 A HA 0.446 4.765 4.320 -0.000 0.000 0.314 6 A C 0.024 177.608 177.584 0.001 0.000 1.290 6 A CA -1.094 50.943 52.037 0.001 0.000 0.893 6 A CB -0.356 18.645 19.000 0.001 0.000 1.165 6 A HN 0.767 nan 8.150 nan 0.000 0.530 7 I N -0.772 119.798 120.570 0.001 0.000 2.676 7 I HA 0.514 4.684 4.170 -0.000 0.000 0.309 7 I C -0.379 175.739 176.117 0.001 0.000 0.990 7 I CA -0.924 60.377 61.300 0.001 0.000 1.168 7 I CB 1.275 39.276 38.000 0.001 0.000 1.343 7 I HN 0.363 nan 8.210 nan 0.000 0.482 8 D N 5.297 125.699 120.400 0.002 0.000 2.325 8 D HA 0.224 4.864 4.640 -0.000 0.000 0.251 8 D C -1.443 174.858 176.300 0.002 0.000 1.196 8 D CA -2.152 51.849 54.000 0.002 0.000 0.866 8 D CB 1.469 42.270 40.800 0.003 0.000 1.101 8 D HN 0.418 nan 8.370 nan 0.000 0.476 9 P HA -0.093 nan 4.420 nan 0.000 0.229 9 P C 0.738 178.039 177.300 0.003 0.000 1.160 9 P CA 0.689 63.791 63.100 0.002 0.000 0.777 9 P CB 0.199 31.900 31.700 0.002 0.000 0.814 10 K N -0.389 120.013 120.400 0.003 0.000 2.361 10 K HA 0.108 4.428 4.320 -0.000 0.000 0.196 10 K C 1.777 178.379 176.600 0.004 0.000 1.039 10 K CA 0.268 56.557 56.287 0.004 0.000 1.001 10 K CB -0.447 32.055 32.500 0.004 0.000 0.795 10 K HN 0.145 nan 8.250 nan 0.000 0.495 11 L N 2.518 123.743 121.223 0.004 0.000 2.628 11 L HA 0.114 4.453 4.340 -0.000 0.000 0.229 11 L C 0.323 177.195 176.870 0.003 0.000 1.137 11 L CA -0.159 54.683 54.840 0.004 0.000 0.909 11 L CB 0.520 42.581 42.059 0.004 0.000 1.137 11 L HN 0.240 nan 8.230 nan 0.000 0.470 12 S N -1.339 114.363 115.700 0.003 0.000 2.979 12 S HA 0.380 4.850 4.470 -0.000 0.000 0.210 12 S C -0.010 174.591 174.600 0.002 0.000 1.364 12 S CA -0.568 57.633 58.200 0.001 0.000 1.208 12 S CB 0.022 63.222 63.200 0.001 0.000 1.167 12 S HN 0.127 nan 8.310 nan 0.000 0.519 13 T N 0.935 115.491 114.554 0.003 0.000 2.816 13 T HA 0.656 5.006 4.350 -0.000 0.000 0.299 13 T C -0.448 174.255 174.700 0.005 0.000 1.230 13 T CA -0.860 61.243 62.100 0.005 0.000 1.007 13 T CB 1.580 70.452 68.868 0.007 0.000 1.289 13 T HN 0.474 nan 8.240 nan 0.000 0.508 14 T N -1.748 112.811 114.554 0.008 0.000 2.940 14 T HA 0.442 4.792 4.350 -0.000 0.000 0.288 14 T C 0.569 175.281 174.700 0.020 0.000 1.033 14 T CA -0.778 61.329 62.100 0.011 0.000 1.033 14 T CB 1.554 70.426 68.868 0.006 0.000 1.079 14 T HN 0.489 nan 8.240 nan 0.000 0.496 15 D N 0.134 120.549 120.400 0.026 0.000 2.182 15 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 15 D C 1.074 177.396 176.300 0.036 0.000 0.986 15 D CA 0.866 54.885 54.000 0.031 0.000 0.847 15 D CB 0.088 40.910 40.800 0.037 0.000 0.942 15 D HN 0.515 nan 8.370 nan 0.000 0.467 16 R N 0.929 121.458 120.500 0.048 0.000 2.955 16 R HA -0.096 4.244 4.340 -0.000 0.000 0.334 16 R C 1.329 177.650 176.300 0.036 0.000 0.778 16 R CA -0.406 55.728 56.100 0.057 0.000 1.110 16 R CB 0.385 30.738 30.300 0.089 0.000 0.889 16 R HN -0.135 nan 8.270 nan 0.000 0.396 17 V N 4.821 124.750 119.914 0.024 0.000 2.237 17 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 17 V C 0.959 177.055 176.094 0.004 0.000 1.046 17 V CA 1.605 63.911 62.300 0.011 0.000 1.007 17 V CB -0.093 31.733 31.823 0.004 0.000 0.638 17 V HN 0.586 nan 8.190 nan 0.000 0.445 18 V N 2.710 122.622 119.914 -0.002 0.000 2.125 18 V HA 0.114 4.234 4.120 -0.000 0.000 0.263 18 V C 1.587 177.683 176.094 0.003 0.000 1.365 18 V CA -0.248 62.046 62.300 -0.010 0.000 1.276 18 V CB -0.239 31.564 31.823 -0.033 0.000 1.350 18 V HN 0.667 nan 8.190 nan 0.000 0.487 19 K N 2.410 122.819 120.400 0.014 0.000 2.160 19 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 19 K C 1.881 178.495 176.600 0.024 0.000 1.047 19 K CA 1.828 58.131 56.287 0.027 0.000 0.930 19 K CB -0.266 32.247 32.500 0.021 0.000 0.720 19 K HN 0.520 nan 8.250 nan 0.000 0.450 20 A N 2.312 125.137 122.820 0.008 0.000 1.972 20 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 20 A C 1.431 179.016 177.584 0.001 0.000 1.169 20 A CA 1.077 53.116 52.037 0.003 0.000 0.635 20 A CB -0.708 18.288 19.000 -0.007 0.000 0.810 20 A HN 0.327 nan 8.150 nan 0.000 0.446 21 V N -2.027 117.882 119.914 -0.008 0.000 2.583 21 V HA 0.496 4.616 4.120 -0.000 0.000 0.287 21 V C -2.761 173.336 176.094 0.006 0.000 1.051 21 V CA -2.391 59.895 62.300 -0.022 0.000 1.010 21 V CB 0.372 32.159 31.823 -0.061 0.000 0.988 21 V HN 0.153 nan 8.190 nan 0.000 0.478 22 P HA 0.266 nan 4.420 nan 0.000 0.271 22 P C -0.999 176.335 177.300 0.057 0.000 1.216 22 P CA 0.067 63.198 63.100 0.052 0.000 0.776 22 P CB 0.241 31.965 31.700 0.041 0.000 0.881 23 F N 4.186 124.129 119.950 -0.012 0.000 2.410 23 F HA 0.380 4.907 4.527 -0.000 0.000 0.349 23 F C -1.831 173.966 175.800 -0.005 0.000 1.117 23 F CA -2.435 55.556 58.000 -0.015 0.000 1.104 23 F CB 0.834 39.830 39.000 -0.007 0.000 1.122 23 F HN 0.265 nan 8.300 nan 0.000 0.483 24 P HA 0.092 nan 4.420 nan 0.000 0.267 24 P C -2.423 175.021 177.300 0.241 0.000 1.205 24 P CA -0.700 62.472 63.100 0.121 0.000 0.765 24 P CB -0.083 31.619 31.700 0.004 0.000 0.828 25 P HA -0.032 nan 4.420 nan 0.000 0.265 25 P C 0.160 177.572 177.300 0.186 0.000 1.187 25 P CA 0.330 63.541 63.100 0.185 0.000 0.766 25 P CB 0.643 32.472 31.700 0.214 0.000 0.820 26 S N -0.093 115.714 115.700 0.179 0.000 2.478 26 S HA -0.050 4.420 4.470 -0.000 0.000 0.222 26 S C 0.794 175.493 174.600 0.165 0.000 1.008 26 S CA 0.385 58.673 58.200 0.147 0.000 0.928 26 S CB -0.663 62.599 63.200 0.102 0.000 0.781 26 S HN 0.657 nan 8.310 nan 0.000 0.518 27 H N 2.850 122.000 119.070 0.134 0.000 2.803 27 H HA 0.260 4.815 4.556 -0.000 0.000 0.330 27 H C 0.090 175.530 175.328 0.186 0.000 1.057 27 H CA 0.088 56.215 56.048 0.131 0.000 1.458 27 H CB 0.397 30.225 29.762 0.109 0.000 1.470 27 H HN -0.102 nan 8.280 nan 0.000 0.560 28 R N 5.513 125.708 120.500 -0.508 0.000 2.295 28 R HA 0.230 4.570 4.340 -0.000 0.000 0.324 28 R C -0.419 175.543 176.300 -0.563 0.000 0.968 28 R CA -0.787 55.137 56.100 -0.293 0.000 0.837 28 R CB 0.905 31.118 30.300 -0.145 0.000 1.133 28 R HN 0.681 nan 8.270 nan 0.000 0.450 29 L N 3.044 124.104 121.223 -0.272 0.000 2.455 29 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 29 L C 1.249 178.087 176.870 -0.053 0.000 1.174 29 L CA 0.325 55.062 54.840 -0.170 0.000 0.869 29 L CB 0.394 42.352 42.059 -0.168 0.000 1.130 29 L HN 0.678 nan 8.230 nan 0.000 0.474 30 T N -0.407 114.155 114.554 0.012 0.000 2.862 30 T HA 0.415 4.765 4.350 -0.000 0.000 0.276 30 T C 1.118 175.875 174.700 0.095 0.000 0.974 30 T CA -0.232 61.899 62.100 0.052 0.000 0.966 30 T CB 1.652 70.561 68.868 0.069 0.000 1.072 30 T HN 0.595 nan 8.240 nan 0.000 0.538 31 A N 0.481 123.376 122.820 0.125 0.000 1.972 31 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 31 A C 2.220 179.922 177.584 0.196 0.000 1.169 31 A CA 1.245 53.413 52.037 0.219 0.000 0.635 31 A CB -0.814 18.265 19.000 0.131 0.000 0.810 31 A HN 0.892 nan 8.150 nan 0.000 0.446 32 K N -0.439 120.029 120.400 0.113 0.000 2.288 32 K HA -0.060 4.260 4.320 -0.000 0.000 0.201 32 K C 1.481 178.123 176.600 0.070 0.000 1.048 32 K CA 1.241 57.579 56.287 0.085 0.000 0.956 32 K CB 0.004 32.539 32.500 0.060 0.000 0.746 32 K HN 0.604 nan 8.250 nan 0.000 0.461 33 E N 0.002 120.240 120.200 0.064 0.000 2.307 33 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 33 E C 1.794 178.385 176.600 -0.014 0.000 0.975 33 E CA 0.345 56.762 56.400 0.028 0.000 0.878 33 E CB 0.551 30.274 29.700 0.037 0.000 0.845 33 E HN 0.010 nan 8.360 nan 0.000 0.488 34 V N 0.628 120.529 119.914 -0.022 0.000 2.426 34 V HA 0.001 4.121 4.120 -0.000 0.000 0.242 34 V C 0.679 176.581 176.094 -0.320 0.000 1.036 34 V CA 0.990 63.177 62.300 -0.187 0.000 1.044 34 V CB -0.055 31.623 31.823 -0.242 0.000 0.688 34 V HN 0.016 nan 8.190 nan 0.000 0.462 35 F N 0.356 120.295 119.950 -0.018 0.000 2.399 35 F HA 0.466 4.993 4.527 -0.000 0.000 0.334 35 F C 0.405 176.190 175.800 -0.025 0.000 1.097 35 F CA -0.606 57.378 58.000 -0.027 0.000 1.076 35 F CB 0.843 39.827 39.000 -0.027 0.000 1.162 35 F HN -0.028 nan 8.300 nan 0.000 0.495 36 D N 0.390 120.891 120.400 0.169 0.000 2.447 36 D HA 0.149 4.788 4.640 -0.000 0.000 0.265 36 D C 0.906 177.256 176.300 0.083 0.000 1.250 36 D CA -0.059 53.991 54.000 0.083 0.000 1.046 36 D CB 0.638 41.461 40.800 0.038 0.000 1.095 36 D HN 0.345 nan 8.370 nan 0.000 0.555 37 N N -0.105 118.620 118.700 0.042 0.000 2.409 37 N HA -0.081 4.659 4.740 -0.000 0.000 0.179 37 N C 0.104 175.622 175.510 0.014 0.000 1.032 37 N CA 0.697 53.761 53.050 0.024 0.000 0.898 37 N CB 0.045 38.540 38.487 0.013 0.000 0.971 37 N HN 0.381 nan 8.380 nan 0.000 0.441 38 D N -0.721 119.689 120.400 0.017 0.000 2.340 38 D HA 0.174 4.814 4.640 -0.000 0.000 0.220 38 D C 1.095 177.401 176.300 0.011 0.000 1.039 38 D CA 0.342 54.344 54.000 0.004 0.000 0.866 38 D CB 0.115 40.913 40.800 -0.003 0.000 0.913 38 D HN 0.239 nan 8.370 nan 0.000 0.523 39 G N 0.569 109.396 108.800 0.044 0.000 2.141 39 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 39 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 39 G C 0.061 175.083 174.900 0.202 0.000 0.982 39 G CA -0.351 44.791 45.100 0.070 0.000 0.662 39 G HN 0.099 nan 8.290 nan 0.000 0.527 40 K N 1.313 121.794 120.400 0.136 0.000 2.276 40 K HA 0.413 4.733 4.320 -0.000 0.000 0.283 40 K C -2.283 174.328 176.600 0.018 0.000 1.044 40 K CA -1.864 54.453 56.287 0.049 0.000 0.944 40 K CB 1.814 34.291 32.500 -0.038 0.000 1.012 40 K HN 0.236 nan 8.250 nan 0.000 0.472 41 P HA 0.243 nan 4.420 nan 0.000 0.284 41 P C -0.721 176.410 177.300 -0.282 0.000 1.253 41 P CA -0.469 62.389 63.100 -0.403 0.000 0.800 41 P CB 0.779 32.197 31.700 -0.469 0.000 0.961 42 R N 2.140 122.481 120.500 -0.265 0.000 2.593 42 R HA 0.129 4.469 4.340 -0.000 0.000 0.282 42 R C 1.518 177.738 176.300 -0.135 0.000 1.300 42 R CA -0.322 55.686 56.100 -0.153 0.000 1.221 42 R CB 0.057 30.296 30.300 -0.102 0.000 1.157 42 R HN 0.358 nan 8.270 nan 0.000 0.555 43 V N -0.957 118.872 119.914 -0.143 0.000 2.515 43 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 43 V C 1.281 177.408 176.094 0.056 0.000 1.058 43 V CA 1.489 63.713 62.300 -0.127 0.000 1.064 43 V CB -0.108 31.563 31.823 -0.254 0.000 0.675 43 V HN 0.452 nan 8.190 nan 0.000 0.461 44 D N 0.385 120.810 120.400 0.042 0.000 2.224 44 D HA 0.013 4.653 4.640 -0.000 0.000 0.205 44 D C 2.087 178.440 176.300 0.088 0.000 0.965 44 D CA 1.075 55.124 54.000 0.082 0.000 0.852 44 D CB 0.115 40.943 40.800 0.046 0.000 0.947 44 D HN 0.421 nan 8.370 nan 0.000 0.494 45 I N 0.459 121.063 120.570 0.056 0.000 2.584 45 I HA -0.113 4.057 4.170 -0.000 0.000 0.255 45 I C 2.225 178.404 176.117 0.102 0.000 1.145 45 I CA 0.395 61.729 61.300 0.056 0.000 1.462 45 I CB -0.601 37.404 38.000 0.008 0.000 1.102 45 I HN 0.019 nan 8.210 nan 0.000 0.433 46 L N 1.265 122.558 121.223 0.116 0.000 2.044 46 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 46 L C 2.592 179.643 176.870 0.301 0.000 1.075 46 L CA 1.838 56.791 54.840 0.190 0.000 0.747 46 L CB -0.764 41.381 42.059 0.143 0.000 0.903 46 L HN 0.116 nan 8.230 nan 0.000 0.435 47 K N -0.488 120.129 120.400 0.361 0.000 2.001 47 K HA -0.250 4.070 4.320 -0.000 0.000 0.214 47 K C 1.961 178.662 176.600 0.168 0.000 1.050 47 K CA 1.895 58.333 56.287 0.252 0.000 0.934 47 K CB -0.393 32.223 32.500 0.193 0.000 0.718 47 K HN 0.369 nan 8.250 nan 0.000 0.443 48 A N 0.105 123.020 122.820 0.158 0.000 2.024 48 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 48 A C 1.954 179.654 177.584 0.193 0.000 1.164 48 A CA 2.079 54.202 52.037 0.144 0.000 0.643 48 A CB -0.792 18.283 19.000 0.124 0.000 0.806 48 A HN 0.654 nan 8.150 nan 0.000 0.451 49 H N -0.628 118.511 119.070 0.113 0.000 2.370 49 H HA 0.212 4.768 4.556 -0.000 0.000 0.304 49 H C 1.732 177.131 175.328 0.117 0.000 1.055 49 H CA 1.388 57.506 56.048 0.116 0.000 1.373 49 H CB -0.169 29.662 29.762 0.115 0.000 1.423 49 H HN 0.312 nan 8.280 nan 0.000 0.533 50 L N -0.291 121.004 121.223 0.120 0.000 2.141 50 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 50 L C 2.294 179.180 176.870 0.026 0.000 1.094 50 L CA 1.115 55.948 54.840 -0.011 0.000 0.763 50 L CB -0.357 41.639 42.059 -0.104 0.000 0.908 50 L HN 0.370 nan 8.230 nan 0.000 0.437 51 M N -0.518 119.167 119.600 0.142 0.000 2.460 51 M HA -0.155 4.324 4.480 -0.000 0.000 0.263 51 M C 1.376 177.831 176.300 0.258 0.000 1.071 51 M CA 1.492 56.869 55.300 0.129 0.000 1.096 51 M CB -0.049 32.597 32.600 0.077 0.000 1.408 51 M HN 0.117 nan 8.290 nan 0.000 0.463 52 K N 0.133 120.611 120.400 0.130 0.000 2.397 52 K HA 0.125 4.445 4.320 -0.000 0.000 0.202 52 K C -0.315 176.315 176.600 0.050 0.000 1.022 52 K CA 0.015 56.359 56.287 0.094 0.000 1.141 52 K CB 0.292 32.827 32.500 0.059 0.000 0.857 52 K HN 0.210 nan 8.250 nan 0.000 0.514 53 E N -0.119 120.127 120.200 0.077 0.000 2.637 53 E HA -0.151 4.199 4.350 -0.000 0.000 0.265 53 E C -0.012 176.573 176.600 -0.025 0.000 1.073 53 E CA 0.267 56.724 56.400 0.095 0.000 0.778 53 E CB -1.421 28.377 29.700 0.164 0.000 1.362 53 E HN 0.536 nan 8.360 nan 0.000 0.413 54 G N 0.497 109.151 108.800 -0.243 0.000 2.377 54 G HA2 0.501 4.460 3.960 -0.000 0.000 0.299 54 G HA3 0.501 4.460 3.960 -0.000 0.000 0.299 54 G C -0.022 174.751 174.900 -0.212 0.000 1.150 54 G CA -0.584 44.221 45.100 -0.490 0.000 0.847 54 G HN -0.008 nan 8.290 nan 0.000 0.501 55 R N 0.307 120.820 120.500 0.021 0.000 2.553 55 R HA 0.592 4.931 4.340 -0.000 0.000 0.263 55 R C 0.069 176.561 176.300 0.319 0.000 1.066 55 R CA -0.653 55.514 56.100 0.112 0.000 1.135 55 R CB 1.130 31.325 30.300 -0.176 0.000 1.148 55 R HN 0.361 nan 8.270 nan 0.000 0.558 56 L N 0.335 121.796 121.223 0.397 0.000 2.335 56 L HA 0.371 4.711 4.340 -0.000 0.000 0.268 56 L C 0.367 177.389 176.870 0.253 0.000 1.016 56 L CA -1.057 53.950 54.840 0.277 0.000 0.805 56 L CB 0.830 43.027 42.059 0.229 0.000 1.311 56 L HN 0.386 nan 8.230 nan 0.000 0.456 57 E N 0.866 121.143 120.200 0.129 0.000 2.373 57 E HA -0.039 4.311 4.350 -0.000 0.000 0.267 57 E C 0.546 177.236 176.600 0.151 0.000 1.032 57 E CA -0.005 56.456 56.400 0.101 0.000 0.889 57 E CB 1.182 30.910 29.700 0.046 0.000 0.984 57 E HN 0.516 nan 8.360 nan 0.000 0.425 58 E N 2.003 122.299 120.200 0.160 0.000 2.171 58 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 58 E C 1.663 178.290 176.600 0.045 0.000 0.997 58 E CA 1.694 58.184 56.400 0.150 0.000 0.810 58 E CB 0.230 30.005 29.700 0.125 0.000 0.738 58 E HN 0.514 nan 8.360 nan 0.000 0.467 59 S N -0.178 115.547 115.700 0.041 0.000 2.357 59 S HA -0.103 4.366 4.470 -0.000 0.000 0.221 59 S C 2.151 176.766 174.600 0.025 0.000 1.031 59 S CA 1.179 59.391 58.200 0.020 0.000 0.982 59 S CB -0.410 62.801 63.200 0.019 0.000 0.853 59 S HN 0.181 nan 8.310 nan 0.000 0.458 60 V N 1.755 121.704 119.914 0.058 0.000 2.719 60 V HA 0.182 4.301 4.120 -0.000 0.000 0.252 60 V C 2.682 178.830 176.094 0.090 0.000 1.065 60 V CA 1.367 63.736 62.300 0.115 0.000 1.086 60 V CB -0.849 31.071 31.823 0.162 0.000 0.700 60 V HN 0.618 nan 8.190 nan 0.000 0.467 61 A N -0.240 122.575 122.820 -0.007 0.000 1.930 61 A HA -0.082 4.237 4.320 -0.000 0.000 0.217 61 A C 2.134 179.634 177.584 -0.141 0.000 1.175 61 A CA 1.870 53.812 52.037 -0.159 0.000 0.627 61 A CB -0.493 18.237 19.000 -0.449 0.000 0.815 61 A HN 0.547 nan 8.150 nan 0.000 0.443 62 L N -1.260 119.907 121.223 -0.094 0.000 2.093 62 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 62 L C 2.785 179.647 176.870 -0.014 0.000 1.085 62 L CA 1.473 56.270 54.840 -0.070 0.000 0.755 62 L CB -0.367 41.660 42.059 -0.053 0.000 0.904 62 L HN 0.456 nan 8.230 nan 0.000 0.435 63 R N 0.649 121.163 120.500 0.024 0.000 2.081 63 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 63 R C 2.259 178.645 176.300 0.143 0.000 1.131 63 R CA 1.455 57.580 56.100 0.042 0.000 0.960 63 R CB -0.174 30.129 30.300 0.005 0.000 0.856 63 R HN 0.293 nan 8.270 nan 0.000 0.436 64 I N 0.355 121.050 120.570 0.209 0.000 2.315 64 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 64 I C 2.073 178.314 176.117 0.206 0.000 1.117 64 I CA 1.150 62.589 61.300 0.232 0.000 1.404 64 I CB -0.139 37.934 38.000 0.122 0.000 1.071 64 I HN 0.232 nan 8.210 nan 0.000 0.419 65 I N 0.518 121.143 120.570 0.092 0.000 2.233 65 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 65 I C 2.816 179.063 176.117 0.218 0.000 1.093 65 I CA 1.877 63.226 61.300 0.082 0.000 1.380 65 I CB -0.590 37.328 38.000 -0.137 0.000 1.067 65 I HN 0.337 nan 8.210 nan 0.000 0.413 66 T N -1.905 112.715 114.554 0.110 0.000 2.821 66 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 66 T C 1.729 176.491 174.700 0.103 0.000 1.046 66 T CA 1.311 63.466 62.100 0.092 0.000 1.139 66 T CB -0.362 68.523 68.868 0.029 0.000 0.871 66 T HN 0.318 nan 8.240 nan 0.000 0.454 67 E N 1.152 121.414 120.200 0.103 0.000 2.077 67 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 67 E C 2.365 179.013 176.600 0.079 0.000 0.989 67 E CA 1.086 57.531 56.400 0.074 0.000 0.800 67 E CB -0.641 29.107 29.700 0.081 0.000 0.746 67 E HN 0.674 nan 8.360 nan 0.000 0.452 68 G N -0.179 108.709 108.800 0.147 0.000 2.511 68 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 68 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 68 G C 1.500 176.366 174.900 -0.058 0.000 1.133 68 G CA 0.524 45.621 45.100 -0.004 0.000 0.792 68 G HN 0.343 nan 8.290 nan 0.000 0.539 69 A N 0.706 123.631 122.820 0.175 0.000 1.968 69 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 69 A C 2.577 180.227 177.584 0.110 0.000 1.169 69 A CA 1.926 54.085 52.037 0.204 0.000 0.638 69 A CB -0.293 18.859 19.000 0.253 0.000 0.812 69 A HN 0.258 nan 8.150 nan 0.000 0.446 70 S N -0.423 115.319 115.700 0.069 0.000 2.436 70 S HA 0.044 4.513 4.470 -0.000 0.000 0.228 70 S C 1.645 176.261 174.600 0.026 0.000 1.014 70 S CA 0.986 59.212 58.200 0.042 0.000 0.950 70 S CB -0.313 62.900 63.200 0.022 0.000 0.784 70 S HN 0.564 nan 8.310 nan 0.000 0.504 71 I N 0.912 121.480 120.570 -0.003 0.000 2.584 71 I HA -0.020 4.150 4.170 -0.000 0.000 0.255 71 I C 1.682 177.792 176.117 -0.011 0.000 1.145 71 I CA 0.802 62.089 61.300 -0.022 0.000 1.462 71 I CB -0.159 37.799 38.000 -0.069 0.000 1.102 71 I HN 0.199 nan 8.210 nan 0.000 0.433 72 L N 0.328 121.534 121.223 -0.028 0.000 2.291 72 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 72 L C 2.661 179.605 176.870 0.123 0.000 1.120 72 L CA 0.782 55.620 54.840 -0.003 0.000 0.799 72 L CB -0.437 41.580 42.059 -0.070 0.000 0.925 72 L HN 0.200 nan 8.230 nan 0.000 0.446 73 R N 0.359 120.964 120.500 0.175 0.000 2.066 73 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 73 R C 2.083 178.532 176.300 0.248 0.000 1.131 73 R CA 1.401 57.679 56.100 0.296 0.000 0.955 73 R CB -0.063 30.321 30.300 0.140 0.000 0.851 73 R HN 0.393 nan 8.270 nan 0.000 0.432 74 Q N 0.079 119.957 119.800 0.129 0.000 2.488 74 Q HA -0.035 4.305 4.340 -0.000 0.000 0.211 74 Q C -0.284 175.782 176.000 0.111 0.000 0.967 74 Q CA 0.539 56.401 55.803 0.098 0.000 0.926 74 Q CB 0.275 29.046 28.738 0.056 0.000 0.992 74 Q HN 0.439 nan 8.270 nan 0.000 0.506 75 E N 1.061 121.337 120.200 0.127 0.000 2.319 75 E HA 0.172 4.522 4.350 -0.000 0.000 0.268 75 E C -0.440 176.223 176.600 0.104 0.000 1.050 75 E CA -0.271 56.195 56.400 0.109 0.000 0.878 75 E CB 0.965 30.729 29.700 0.107 0.000 1.066 75 E HN 0.063 nan 8.360 nan 0.000 0.406 76 K N 1.214 121.655 120.400 0.068 0.000 2.140 76 K HA 0.138 4.457 4.320 -0.000 0.000 0.237 76 K C 0.734 177.336 176.600 0.002 0.000 1.045 76 K CA -0.580 55.734 56.287 0.045 0.000 0.896 76 K CB 0.366 32.883 32.500 0.028 0.000 1.122 76 K HN 0.230 nan 8.250 nan 0.000 0.503 77 N N 0.007 118.699 118.700 -0.014 0.000 2.109 77 N HA -0.055 4.684 4.740 -0.000 0.000 0.188 77 N C -0.143 175.348 175.510 -0.031 0.000 1.034 77 N CA 0.739 53.762 53.050 -0.046 0.000 0.846 77 N CB -0.184 38.281 38.487 -0.037 0.000 1.010 77 N HN 0.301 nan 8.380 nan 0.000 0.425 78 L N 1.861 123.072 121.223 -0.019 0.000 2.262 78 L HA 0.377 4.717 4.340 -0.000 0.000 0.288 78 L C -0.734 176.113 176.870 -0.039 0.000 1.035 78 L CA -0.231 54.596 54.840 -0.022 0.000 0.820 78 L CB 0.352 42.406 42.059 -0.009 0.000 1.204 78 L HN 0.000 nan 8.230 nan 0.000 0.424 79 L N 4.001 125.182 121.223 -0.071 0.000 2.436 79 L HA 0.286 4.626 4.340 -0.000 0.000 0.265 79 L C -0.379 176.397 176.870 -0.156 0.000 1.168 79 L CA -0.137 54.621 54.840 -0.136 0.000 0.815 79 L CB 0.747 42.661 42.059 -0.241 0.000 1.109 79 L HN 0.613 nan 8.230 nan 0.000 0.462 80 D N 2.373 122.666 120.400 -0.178 0.000 2.464 80 D HA 0.469 5.109 4.640 -0.000 0.000 0.243 80 D C -0.846 175.339 176.300 -0.192 0.000 1.104 80 D CA -0.180 53.740 54.000 -0.132 0.000 0.883 80 D CB 0.857 41.620 40.800 -0.062 0.000 1.050 80 D HN 0.106 nan 8.370 nan 0.000 0.524 81 I N 1.281 121.722 120.570 -0.215 0.000 2.863 81 I HA 0.566 4.736 4.170 -0.000 0.000 0.311 81 I C -0.250 175.848 176.117 -0.032 0.000 1.026 81 I CA -0.946 60.238 61.300 -0.194 0.000 1.077 81 I CB 1.620 39.443 38.000 -0.295 0.000 1.262 81 I HN 0.125 nan 8.210 nan 0.000 0.461 82 D N 1.225 121.643 120.400 0.031 0.000 2.596 82 D HA 0.676 5.316 4.640 -0.000 0.000 0.234 82 D C -0.834 175.523 176.300 0.096 0.000 1.181 82 D CA -0.897 53.150 54.000 0.078 0.000 0.856 82 D CB 1.175 42.012 40.800 0.062 0.000 1.498 82 D HN 0.741 nan 8.370 nan 0.000 0.446 83 A N 0.436 123.329 122.820 0.122 0.000 2.520 83 A HA 0.471 4.791 4.320 -0.000 0.000 0.235 83 A C -2.032 175.552 177.584 -0.001 0.000 1.065 83 A CA -0.607 51.466 52.037 0.060 0.000 0.764 83 A CB -0.689 18.282 19.000 -0.048 0.000 1.002 83 A HN 0.544 nan 8.150 nan 0.000 0.502 84 P HA 0.375 nan 4.420 nan 0.000 0.284 84 P C -0.661 176.613 177.300 -0.043 0.000 1.343 84 P CA -0.207 62.856 63.100 -0.061 0.000 0.826 84 P CB 0.730 32.378 31.700 -0.086 0.000 0.956 85 V N 0.967 120.879 119.914 -0.003 0.000 2.612 85 V HA 0.696 4.816 4.120 -0.000 0.000 0.301 85 V C -0.070 175.940 176.094 -0.140 0.000 1.046 85 V CA -0.369 61.902 62.300 -0.049 0.000 0.946 85 V CB 1.837 33.667 31.823 0.013 0.000 1.003 85 V HN 0.334 nan 8.190 nan 0.000 0.459 86 T N 3.305 117.670 114.554 -0.314 0.000 3.060 86 T HA 0.435 4.785 4.350 -0.000 0.000 0.367 86 T C -0.231 174.268 174.700 -0.335 0.000 1.229 86 T CA -0.247 61.614 62.100 -0.399 0.000 1.104 86 T CB 0.733 69.172 68.868 -0.715 0.000 1.083 86 T HN 0.657 nan 8.240 nan 0.000 0.524 87 V N 2.997 122.794 119.914 -0.195 0.000 2.637 87 V HA 0.255 4.375 4.120 -0.000 0.000 0.296 87 V C 0.509 176.511 176.094 -0.153 0.000 1.046 87 V CA -0.499 61.706 62.300 -0.158 0.000 1.066 87 V CB 0.246 31.988 31.823 -0.134 0.000 0.968 87 V HN 0.943 nan 8.190 nan 0.000 0.483 88 C N 3.767 122.942 119.300 -0.207 0.000 2.634 88 C HA 0.842 5.302 4.460 -0.000 0.000 0.313 88 C C 1.087 176.060 174.990 -0.028 0.000 1.198 88 C CA -0.417 58.507 59.018 -0.157 0.000 1.605 88 C CB 1.014 28.520 27.740 -0.390 0.000 2.196 88 C HN 1.040 nan 8.230 nan 0.000 0.486 89 G N 0.703 109.504 108.800 0.002 0.000 2.829 89 G HA2 0.418 4.378 3.960 -0.000 0.000 0.173 89 G HA3 0.418 4.378 3.960 -0.000 0.000 0.173 89 G C -0.735 174.128 174.900 -0.061 0.000 1.476 89 G CA -0.115 44.980 45.100 -0.008 0.000 1.072 89 G HN 0.741 nan 8.290 nan 0.000 0.577 90 D N -0.880 119.377 120.400 -0.237 0.000 2.382 90 D HA 0.312 4.952 4.640 -0.000 0.000 0.240 90 D C 0.804 176.869 176.300 -0.390 0.000 1.146 90 D CA 0.095 53.861 54.000 -0.389 0.000 0.897 90 D CB 1.889 42.393 40.800 -0.494 0.000 1.197 90 D HN 0.134 nan 8.370 nan 0.000 0.432 91 I N 0.031 120.430 120.570 -0.285 0.000 4.197 91 I HA -0.023 4.147 4.170 -0.000 0.000 0.307 91 I C 0.243 176.347 176.117 -0.021 0.000 1.236 91 I CA -0.155 61.089 61.300 -0.094 0.000 1.321 91 I CB 0.175 38.218 38.000 0.072 0.000 1.309 91 I HN 0.388 nan 8.210 nan 0.000 0.450 92 H N 1.294 120.300 119.070 -0.108 0.000 2.626 92 H HA -0.178 4.378 4.556 -0.000 0.000 0.317 92 H C 1.466 176.810 175.328 0.025 0.000 1.140 92 H CA 0.809 56.809 56.048 -0.080 0.000 1.134 92 H CB -1.475 28.269 29.762 -0.030 0.000 1.486 92 H HN 0.660 nan 8.280 nan 0.000 0.417 93 G N 0.370 109.266 108.800 0.161 0.000 2.168 93 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.263 93 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.263 93 G C 0.391 175.493 174.900 0.336 0.000 0.977 93 G CA 0.544 45.786 45.100 0.236 0.000 0.659 93 G HN 0.581 nan 8.290 nan 0.000 0.533 94 Q N -0.299 119.666 119.800 0.275 0.000 2.844 94 Q HA 0.445 4.785 4.340 -0.000 0.000 0.235 94 Q C 1.172 177.359 176.000 0.312 0.000 1.336 94 Q CA -0.802 55.177 55.803 0.293 0.000 1.026 94 Q CB -0.003 28.844 28.738 0.181 0.000 1.513 94 Q HN 0.401 nan 8.270 nan 0.000 0.577 95 F N 0.866 120.944 119.950 0.214 0.000 2.095 95 F HA -0.221 4.305 4.527 -0.000 0.000 0.298 95 F C 0.948 176.630 175.800 -0.196 0.000 1.104 95 F CA 1.492 59.461 58.000 -0.052 0.000 1.232 95 F CB 0.059 38.928 39.000 -0.217 0.000 0.987 95 F HN 0.420 nan 8.300 nan 0.000 0.475 96 F N -0.010 119.886 119.950 -0.090 0.000 2.699 96 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 96 F C 1.951 177.685 175.800 -0.109 0.000 1.154 96 F CA 0.788 58.678 58.000 -0.183 0.000 1.457 96 F CB -0.370 38.601 39.000 -0.048 0.000 1.106 96 F HN 0.003 nan 8.300 nan 0.000 0.585 97 D N -0.586 119.878 120.400 0.107 0.000 2.392 97 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 97 D C 2.098 178.408 176.300 0.017 0.000 1.046 97 D CA 0.321 54.407 54.000 0.143 0.000 0.865 97 D CB 0.213 41.145 40.800 0.221 0.000 0.969 97 D HN 0.252 nan 8.370 nan 0.000 0.509 98 L N 0.647 121.788 121.223 -0.136 0.000 2.240 98 L HA 0.035 4.375 4.340 -0.000 0.000 0.211 98 L C 1.892 178.492 176.870 -0.450 0.000 1.106 98 L CA 1.066 55.736 54.840 -0.283 0.000 0.793 98 L CB -0.204 41.731 42.059 -0.208 0.000 0.927 98 L HN -0.161 nan 8.230 nan 0.000 0.446 99 M N -0.716 118.616 119.600 -0.448 0.000 2.319 99 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 99 M C 2.129 178.310 176.300 -0.198 0.000 1.068 99 M CA 1.211 56.293 55.300 -0.364 0.000 1.118 99 M CB -0.777 31.522 32.600 -0.503 0.000 1.395 99 M HN 0.208 nan 8.290 nan 0.000 0.435 100 K N 1.448 121.722 120.400 -0.209 0.000 2.186 100 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 100 K C 1.780 178.098 176.600 -0.469 0.000 1.052 100 K CA 0.619 56.774 56.287 -0.220 0.000 0.965 100 K CB -0.413 32.035 32.500 -0.086 0.000 0.746 100 K HN 0.297 nan 8.250 nan 0.000 0.457 101 L N -1.133 119.706 121.223 -0.639 0.000 2.362 101 L HA 0.168 4.508 4.340 -0.000 0.000 0.219 101 L C 1.211 177.855 176.870 -0.375 0.000 1.134 101 L CA 1.500 55.864 54.840 -0.793 0.000 0.807 101 L CB -0.627 41.061 42.059 -0.617 0.000 0.927 101 L HN -0.084 nan 8.230 nan 0.000 0.447 102 F N 0.417 120.273 119.950 -0.157 0.000 2.811 102 F HA 0.158 4.685 4.527 -0.000 0.000 0.301 102 F C 2.173 177.947 175.800 -0.044 0.000 1.151 102 F CA 0.302 58.268 58.000 -0.056 0.000 1.412 102 F CB -0.361 38.594 39.000 -0.074 0.000 1.113 102 F HN 0.308 nan 8.300 nan 0.000 0.579 103 E N -0.625 119.602 120.200 0.044 0.000 2.132 103 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 103 E C 2.221 178.809 176.600 -0.022 0.000 0.951 103 E CA 0.669 57.074 56.400 0.009 0.000 0.843 103 E CB -0.030 29.650 29.700 -0.034 0.000 0.807 103 E HN 0.095 nan 8.360 nan 0.000 0.467 104 V N 0.671 120.517 119.914 -0.113 0.000 2.626 104 V HA -0.086 4.034 4.120 -0.000 0.000 0.252 104 V C 2.097 178.158 176.094 -0.056 0.000 1.067 104 V CA 1.861 64.093 62.300 -0.113 0.000 1.081 104 V CB -0.381 31.298 31.823 -0.241 0.000 0.686 104 V HN 0.355 nan 8.190 nan 0.000 0.468 105 G N -1.074 107.722 108.800 -0.006 0.000 2.796 105 G HA2 0.475 4.435 3.960 -0.000 0.000 0.210 105 G HA3 0.475 4.435 3.960 -0.000 0.000 0.210 105 G C 0.713 175.676 174.900 0.104 0.000 1.146 105 G CA 0.603 45.735 45.100 0.054 0.000 0.779 105 G HN 1.044 nan 8.290 nan 0.000 0.535 106 G N -0.679 108.224 108.800 0.173 0.000 2.650 106 G HA2 0.179 4.139 3.960 -0.000 0.000 0.686 106 G HA3 0.179 4.139 3.960 -0.000 0.000 0.686 106 G C -0.226 174.809 174.900 0.226 0.000 1.205 106 G CA -0.119 45.066 45.100 0.141 0.000 0.781 106 G HN 0.829 nan 8.290 nan 0.000 0.648 107 S N 0.983 116.734 115.700 0.084 0.000 2.549 107 S HA 0.461 4.931 4.470 -0.000 0.000 0.286 107 S C -0.561 173.994 174.600 -0.076 0.000 1.314 107 S CA -0.282 57.910 58.200 -0.015 0.000 1.062 107 S CB 0.830 64.007 63.200 -0.038 0.000 0.865 107 S HN 0.420 nan 8.310 nan 0.000 0.498 108 P HA 0.080 nan 4.420 nan 0.000 0.239 108 P C 0.564 177.326 177.300 -0.896 0.000 1.184 108 P CA 0.506 63.320 63.100 -0.476 0.000 0.760 108 P CB 0.045 31.351 31.700 -0.657 0.000 0.884 109 A N 0.478 122.986 122.820 -0.521 0.000 2.123 109 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 109 A C 1.598 179.068 177.584 -0.191 0.000 1.152 109 A CA 1.005 52.836 52.037 -0.342 0.000 0.728 109 A CB -0.578 18.384 19.000 -0.063 0.000 0.814 109 A HN 0.336 nan 8.150 nan 0.000 0.464 110 N N -2.111 116.493 118.700 -0.159 0.000 2.082 110 N HA 0.029 4.768 4.740 -0.000 0.000 0.228 110 N C -0.725 174.739 175.510 -0.077 0.000 1.341 110 N CA 0.136 53.134 53.050 -0.086 0.000 0.873 110 N CB 0.705 39.162 38.487 -0.049 0.000 1.137 110 N HN 0.111 nan 8.380 nan 0.000 0.505 111 T N 1.063 115.568 114.554 -0.081 0.000 2.829 111 T HA 0.388 4.738 4.350 -0.000 0.000 0.280 111 T C -0.464 174.209 174.700 -0.045 0.000 0.999 111 T CA -0.531 61.525 62.100 -0.072 0.000 0.983 111 T CB 2.685 71.516 68.868 -0.063 0.000 0.968 111 T HN 0.039 nan 8.240 nan 0.000 0.446 112 R N 1.466 121.912 120.500 -0.089 0.000 2.308 112 R HA 0.496 4.835 4.340 -0.000 0.000 0.305 112 R C -1.547 174.704 176.300 -0.082 0.000 1.053 112 R CA -0.219 55.884 56.100 0.005 0.000 0.957 112 R CB 0.241 30.571 30.300 0.050 0.000 1.022 112 R HN 0.633 nan 8.270 nan 0.000 0.461 113 Y N 3.313 123.679 120.300 0.110 0.000 2.524 113 Y HA 0.552 5.102 4.550 -0.000 0.000 0.344 113 Y C -0.883 175.129 175.900 0.187 0.000 1.012 113 Y CA -1.001 57.154 58.100 0.093 0.000 1.068 113 Y CB 2.052 40.614 38.460 0.170 0.000 1.249 113 Y HN 0.419 nan 8.280 nan 0.000 0.468 114 L N 3.527 124.857 121.223 0.178 0.000 2.568 114 L HA 0.508 4.848 4.340 -0.000 0.000 0.262 114 L C -2.112 174.785 176.870 0.044 0.000 0.980 114 L CA -0.356 54.602 54.840 0.197 0.000 0.882 114 L CB 0.234 42.357 42.059 0.107 0.000 1.198 114 L HN 0.408 nan 8.230 nan 0.000 0.425 115 F N 4.994 125.098 119.950 0.256 0.000 2.411 115 F HA 0.350 4.877 4.527 -0.000 0.000 0.350 115 F C 1.152 177.074 175.800 0.204 0.000 1.114 115 F CA -0.487 57.666 58.000 0.254 0.000 1.135 115 F CB 1.163 40.383 39.000 0.365 0.000 1.120 115 F HN 0.340 nan 8.300 nan 0.000 0.495 116 L N 3.752 125.127 121.223 0.254 0.000 2.645 116 L HA 0.323 4.663 4.340 -0.000 0.000 0.235 116 L C 1.001 177.929 176.870 0.096 0.000 1.150 116 L CA 0.136 55.074 54.840 0.163 0.000 0.911 116 L CB -1.299 40.832 42.059 0.120 0.000 1.077 116 L HN 0.952 nan 8.230 nan 0.000 0.438 117 G N -0.492 108.234 108.800 -0.124 0.000 2.422 117 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.607 117 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.607 117 G C -0.819 173.426 174.900 -1.091 0.000 1.270 117 G CA -0.761 43.884 45.100 -0.758 0.000 0.992 117 G HN 0.163 nan 8.290 nan 0.000 0.499 118 D N -1.411 118.256 120.400 -1.221 0.000 3.082 118 D HA -0.140 4.500 4.640 -0.000 0.000 0.234 118 D C 0.603 176.334 176.300 -0.947 0.000 1.159 118 D CA 1.650 55.030 54.000 -1.034 0.000 0.875 118 D CB -1.056 39.163 40.800 -0.967 0.000 0.946 118 D HN 0.664 nan 8.370 nan 0.000 0.411 119 Y N -1.406 118.658 120.300 -0.394 0.000 2.509 119 Y HA 0.163 4.713 4.550 -0.000 0.000 0.270 119 Y C 1.611 177.363 175.900 -0.247 0.000 1.103 119 Y CA 0.091 58.029 58.100 -0.270 0.000 1.278 119 Y CB 0.187 38.509 38.460 -0.231 0.000 1.087 119 Y HN 0.236 nan 8.280 nan 0.000 0.542 120 V N -2.744 117.033 119.914 -0.229 0.000 3.093 120 V HA 0.599 4.719 4.120 -0.000 0.000 0.320 120 V C -0.547 175.539 176.094 -0.013 0.000 1.093 120 V CA -1.490 60.693 62.300 -0.195 0.000 1.016 120 V CB 1.535 33.050 31.823 -0.515 0.000 1.096 120 V HN 0.212 nan 8.190 nan 0.000 0.452 121 D N 0.151 120.625 120.400 0.123 0.000 10.873 121 D HA -0.143 4.496 4.640 -0.000 0.000 0.355 121 D C 0.872 177.210 176.300 0.062 0.000 3.125 121 D CA 0.920 55.020 54.000 0.166 0.000 2.637 121 D CB -0.250 40.700 40.800 0.251 0.000 1.188 121 D HN 1.037 nan 8.370 nan 0.000 0.939 122 R N -1.411 119.071 120.500 -0.029 0.000 1.680 122 R HA -0.217 4.123 4.340 -0.000 0.000 0.092 122 R C 1.083 177.448 176.300 0.108 0.000 0.930 122 R CA 2.195 58.248 56.100 -0.078 0.000 1.943 122 R CB -1.697 28.384 30.300 -0.365 0.000 0.490 122 R HN 0.642 nan 8.270 nan 0.000 0.707 123 G N -0.720 108.165 108.800 0.141 0.000 2.395 123 G HA2 0.418 4.378 3.960 -0.000 0.000 0.283 123 G HA3 0.418 4.378 3.960 -0.000 0.000 0.283 123 G C -0.071 174.982 174.900 0.255 0.000 1.178 123 G CA -0.417 44.793 45.100 0.183 0.000 0.837 123 G HN 0.335 nan 8.290 nan 0.000 0.518 124 Y N 0.706 120.843 120.300 -0.271 0.000 2.477 124 Y HA 0.152 4.702 4.550 -0.000 0.000 0.303 124 Y C 0.421 175.996 175.900 -0.542 0.000 1.202 124 Y CA -0.254 57.563 58.100 -0.471 0.000 1.282 124 Y CB 0.171 38.055 38.460 -0.959 0.000 1.071 124 Y HN 0.428 nan 8.280 nan 0.000 0.510 125 F N -1.964 118.194 119.950 0.347 0.000 2.818 125 F HA 0.237 4.764 4.527 -0.000 0.000 0.369 125 F C 1.271 177.188 175.800 0.194 0.000 1.327 125 F CA -0.390 57.789 58.000 0.299 0.000 1.211 125 F CB 0.220 39.450 39.000 0.382 0.000 1.036 125 F HN -0.160 nan 8.300 nan 0.000 0.510 126 S N 0.379 116.255 115.700 0.293 0.000 2.368 126 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 126 S C 2.107 176.861 174.600 0.257 0.000 1.029 126 S CA 0.934 59.285 58.200 0.250 0.000 0.988 126 S CB -0.133 63.232 63.200 0.274 0.000 0.838 126 S HN 0.443 nan 8.310 nan 0.000 0.462 127 I N 1.956 122.720 120.570 0.323 0.000 2.614 127 I HA -0.066 4.104 4.170 -0.000 0.000 0.258 127 I C 1.679 177.846 176.117 0.083 0.000 1.189 127 I CA 1.158 62.613 61.300 0.258 0.000 1.462 127 I CB -0.262 37.866 38.000 0.213 0.000 1.092 127 I HN 0.103 nan 8.210 nan 0.000 0.442 128 E N -1.005 119.199 120.200 0.006 0.000 2.216 128 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 128 E C 2.307 178.736 176.600 -0.286 0.000 0.988 128 E CA 1.032 57.233 56.400 -0.332 0.000 0.834 128 E CB -0.278 28.944 29.700 -0.795 0.000 0.772 128 E HN 0.476 nan 8.360 nan 0.000 0.479 129 C N -0.309 118.993 119.300 0.003 0.000 2.457 129 C HA 0.002 4.462 4.460 -0.000 0.000 0.278 129 C C 2.517 177.570 174.990 0.104 0.000 1.309 129 C CA 0.148 59.284 59.018 0.196 0.000 1.735 129 C CB -0.490 27.384 27.740 0.223 0.000 1.992 129 C HN 0.234 nan 8.230 nan 0.000 0.493 130 V N 1.039 120.945 119.914 -0.013 0.000 2.283 130 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 130 V C 2.341 178.370 176.094 -0.108 0.000 1.039 130 V CA 1.724 63.895 62.300 -0.215 0.000 1.016 130 V CB -0.751 30.847 31.823 -0.375 0.000 0.650 130 V HN 0.508 nan 8.190 nan 0.000 0.449 131 L N -1.354 119.824 121.223 -0.075 0.000 2.189 131 L HA -0.244 4.095 4.340 -0.000 0.000 0.214 131 L C 2.390 179.327 176.870 0.112 0.000 1.097 131 L CA 1.892 56.722 54.840 -0.017 0.000 0.764 131 L CB -0.522 41.507 42.059 -0.050 0.000 0.900 131 L HN 0.440 nan 8.230 nan 0.000 0.436 132 Y N -0.095 120.237 120.300 0.053 0.000 2.230 132 Y HA -0.057 4.493 4.550 -0.000 0.000 0.294 132 Y C 2.313 178.276 175.900 0.105 0.000 1.120 132 Y CA 1.003 59.174 58.100 0.117 0.000 1.129 132 Y CB 0.018 38.652 38.460 0.290 0.000 1.040 132 Y HN -0.091 nan 8.280 nan 0.000 0.519 133 L N -1.157 120.205 121.223 0.231 0.000 2.079 133 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 133 L C 2.406 179.331 176.870 0.091 0.000 1.081 133 L CA 1.397 56.281 54.840 0.072 0.000 0.752 133 L CB -0.628 41.393 42.059 -0.063 0.000 0.896 133 L HN 0.453 nan 8.230 nan 0.000 0.433 134 W N -0.218 120.991 121.300 -0.152 0.000 2.388 134 W HA -0.166 4.494 4.660 -0.000 0.000 0.294 134 W C 2.580 179.024 176.519 -0.125 0.000 1.212 134 W CA 0.713 57.990 57.345 -0.113 0.000 1.271 134 W CB -0.021 29.405 29.460 -0.057 0.000 1.126 134 W HN 0.199 nan 8.180 nan 0.000 0.535 135 A N 0.327 123.181 122.820 0.057 0.000 1.933 135 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 135 A C 1.977 179.437 177.584 -0.207 0.000 1.175 135 A CA 1.171 53.142 52.037 -0.111 0.000 0.628 135 A CB -0.999 17.877 19.000 -0.207 0.000 0.814 135 A HN 0.247 nan 8.150 nan 0.000 0.444 136 L N -1.064 120.016 121.223 -0.239 0.000 2.056 136 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 136 L C 2.532 179.332 176.870 -0.116 0.000 1.078 136 L CA 1.667 56.393 54.840 -0.190 0.000 0.749 136 L CB -0.321 41.617 42.059 -0.202 0.000 0.901 136 L HN 0.290 nan 8.230 nan 0.000 0.433 137 K N 0.807 121.116 120.400 -0.151 0.000 2.362 137 K HA -0.090 4.229 4.320 -0.000 0.000 0.200 137 K C 1.689 178.187 176.600 -0.169 0.000 1.046 137 K CA 1.205 57.378 56.287 -0.190 0.000 0.952 137 K CB -0.176 32.136 32.500 -0.313 0.000 0.753 137 K HN 0.278 nan 8.250 nan 0.000 0.466 138 I N -0.546 119.938 120.570 -0.144 0.000 2.480 138 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 138 I C 1.713 177.724 176.117 -0.177 0.000 1.124 138 I CA 0.338 61.574 61.300 -0.108 0.000 1.444 138 I CB -0.089 37.902 38.000 -0.014 0.000 1.098 138 I HN 0.073 nan 8.210 nan 0.000 0.428 139 L N -0.197 120.842 121.223 -0.306 0.000 2.270 139 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 139 L C 0.045 176.460 176.870 -0.758 0.000 1.104 139 L CA 1.585 56.083 54.840 -0.570 0.000 0.804 139 L CB -0.112 41.466 42.059 -0.802 0.000 0.937 139 L HN 0.161 nan 8.230 nan 0.000 0.450 140 Y N -0.394 119.821 120.300 -0.143 0.000 2.511 140 Y HA 0.354 4.903 4.550 -0.000 0.000 0.356 140 Y C -1.616 174.160 175.900 -0.206 0.000 1.002 140 Y CA -2.563 55.447 58.100 -0.150 0.000 1.127 140 Y CB -0.056 38.315 38.460 -0.149 0.000 1.137 140 Y HN 0.025 nan 8.280 nan 0.000 0.652 141 P HA -0.199 nan 4.420 nan 0.000 0.218 141 P C 0.634 177.801 177.300 -0.221 0.000 1.146 141 P CA 1.576 64.591 63.100 -0.142 0.000 0.813 141 P CB 0.578 32.229 31.700 -0.080 0.000 0.778 142 K N -1.265 119.035 120.400 -0.166 0.000 2.438 142 K HA 0.221 4.541 4.320 -0.000 0.000 0.205 142 K C 1.192 177.678 176.600 -0.190 0.000 1.033 142 K CA 0.302 56.507 56.287 -0.137 0.000 1.089 142 K CB 0.437 32.985 32.500 0.080 0.000 0.857 142 K HN 0.160 nan 8.250 nan 0.000 0.522 143 T N -0.103 114.279 114.554 -0.286 0.000 3.151 143 T HA 0.141 4.491 4.350 -0.000 0.000 0.239 143 T C 0.534 175.097 174.700 -0.227 0.000 0.979 143 T CA -0.258 61.762 62.100 -0.134 0.000 1.194 143 T CB 0.353 69.190 68.868 -0.052 0.000 0.982 143 T HN -0.025 nan 8.240 nan 0.000 0.428 144 L N 2.268 123.333 121.223 -0.264 0.000 2.290 144 L HA 0.518 4.857 4.340 -0.000 0.000 0.284 144 L C -1.542 175.095 176.870 -0.389 0.000 1.078 144 L CA -0.276 54.507 54.840 -0.094 0.000 0.815 144 L CB 0.117 42.175 42.059 -0.002 0.000 1.162 144 L HN 0.196 nan 8.230 nan 0.000 0.435 145 F N 5.221 125.311 119.950 0.234 0.000 2.529 145 F HA 0.526 5.053 4.527 -0.000 0.000 0.320 145 F C -0.228 175.708 175.800 0.227 0.000 1.118 145 F CA -0.582 57.511 58.000 0.155 0.000 0.915 145 F CB 1.703 40.775 39.000 0.121 0.000 1.161 145 F HN 0.197 nan 8.300 nan 0.000 0.445 146 L N 4.576 125.953 121.223 0.257 0.000 2.341 146 L HA 0.597 4.936 4.340 -0.000 0.000 0.278 146 L C -0.497 176.484 176.870 0.185 0.000 1.005 146 L CA -0.459 54.491 54.840 0.183 0.000 0.818 146 L CB 1.670 43.606 42.059 -0.204 0.000 1.259 146 L HN 0.524 nan 8.230 nan 0.000 0.418 147 L N 1.816 123.205 121.223 0.277 0.000 2.578 147 L HA 0.614 4.953 4.340 -0.000 0.000 0.259 147 L C -0.032 176.904 176.870 0.110 0.000 1.082 147 L CA -1.010 53.921 54.840 0.152 0.000 0.843 147 L CB 1.357 43.484 42.059 0.114 0.000 1.535 147 L HN 0.553 nan 8.230 nan 0.000 0.510 148 R N -0.488 119.999 120.500 -0.022 0.000 2.387 148 R HA 0.515 4.855 4.340 -0.000 0.000 0.314 148 R C -0.406 175.698 176.300 -0.327 0.000 0.958 148 R CA -0.291 55.726 56.100 -0.138 0.000 0.846 148 R CB 1.615 31.856 30.300 -0.098 0.000 1.147 148 R HN 0.781 nan 8.270 nan 0.000 0.447 149 G N 1.260 109.705 108.800 -0.591 0.000 2.511 149 G HA2 0.024 3.984 3.960 -0.000 0.000 0.316 149 G HA3 0.024 3.984 3.960 -0.000 0.000 0.316 149 G C 0.551 175.027 174.900 -0.706 0.000 1.210 149 G CA -0.685 43.760 45.100 -1.091 0.000 0.969 149 G HN 0.827 nan 8.290 nan 0.000 0.492 150 N N -1.070 117.181 118.700 -0.749 0.000 2.512 150 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 150 N C 0.911 176.199 175.510 -0.369 0.000 1.073 150 N CA 0.831 53.501 53.050 -0.634 0.000 0.911 150 N CB -0.184 37.482 38.487 -1.368 0.000 0.964 150 N HN 0.647 nan 8.380 nan 0.000 0.447 151 H N -0.136 118.735 119.070 -0.331 0.000 2.548 151 H HA 0.154 4.709 4.556 -0.000 0.000 0.265 151 H C 0.028 175.301 175.328 -0.090 0.000 0.969 151 H CA 0.171 56.153 56.048 -0.109 0.000 1.155 151 H CB 0.596 30.295 29.762 -0.105 0.000 1.394 151 H HN 0.247 nan 8.280 nan 0.000 0.570 152 E N 1.437 121.545 120.200 -0.153 0.000 2.392 152 E HA 0.106 4.455 4.350 -0.000 0.000 0.307 152 E C -0.497 176.192 176.600 0.149 0.000 1.505 152 E CA -0.200 56.082 56.400 -0.196 0.000 1.716 152 E CB -0.361 29.002 29.700 -0.562 0.000 1.450 152 E HN 0.368 nan 8.360 nan 0.000 0.484 153 C N -1.692 117.771 119.300 0.272 0.000 3.318 153 C HA 0.496 4.956 4.460 -0.000 0.000 0.322 153 C C 1.203 176.398 174.990 0.341 0.000 1.398 153 C CA -1.188 57.997 59.018 0.278 0.000 1.339 153 C CB 1.838 29.703 27.740 0.209 0.000 1.668 153 C HN 0.559 nan 8.230 nan 0.000 0.462 154 R N -0.045 120.638 120.500 0.305 0.000 2.299 154 R HA 0.023 4.363 4.340 -0.000 0.000 0.197 154 R C 0.932 177.445 176.300 0.356 0.000 0.971 154 R CA 1.037 57.342 56.100 0.341 0.000 1.030 154 R CB -0.596 29.849 30.300 0.242 0.000 0.932 154 R HN 0.900 nan 8.270 nan 0.000 0.477 155 H N 1.264 120.461 119.070 0.212 0.000 2.317 155 H HA 0.163 4.719 4.556 -0.000 0.000 0.304 155 H C 1.969 177.418 175.328 0.201 0.000 1.067 155 H CA 1.461 57.616 56.048 0.177 0.000 1.352 155 H CB 0.152 30.003 29.762 0.149 0.000 1.398 155 H HN 0.004 nan 8.280 nan 0.000 0.510 156 L N 0.082 121.527 121.223 0.370 0.000 2.240 156 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 156 L C 2.102 179.272 176.870 0.499 0.000 1.106 156 L CA 1.623 56.681 54.840 0.364 0.000 0.793 156 L CB -0.710 41.479 42.059 0.217 0.000 0.927 156 L HN 0.463 nan 8.230 nan 0.000 0.446 157 T N -4.160 110.682 114.554 0.480 0.000 3.085 157 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 157 T C 1.513 176.423 174.700 0.350 0.000 1.127 157 T CA 0.657 63.089 62.100 0.554 0.000 1.103 157 T CB 0.159 69.497 68.868 0.784 0.000 0.921 157 T HN 0.318 nan 8.240 nan 0.000 0.510 158 E N -0.854 119.496 120.200 0.250 0.000 2.307 158 E HA 0.078 4.428 4.350 -0.000 0.000 0.195 158 E C 1.542 178.151 176.600 0.014 0.000 0.975 158 E CA -0.109 56.332 56.400 0.069 0.000 0.878 158 E CB 0.009 29.750 29.700 0.067 0.000 0.845 158 E HN 0.644 nan 8.360 nan 0.000 0.488 159 Y N -0.136 120.113 120.300 -0.085 0.000 2.206 159 Y HA 0.006 4.555 4.550 -0.000 0.000 0.292 159 Y C 0.369 176.091 175.900 -0.295 0.000 1.123 159 Y CA 0.946 58.888 58.100 -0.262 0.000 1.142 159 Y CB 0.118 38.312 38.460 -0.442 0.000 1.006 159 Y HN -0.118 nan 8.280 nan 0.000 0.518 160 F N -0.195 119.897 119.950 0.236 0.000 2.213 160 F HA 0.146 4.673 4.527 -0.000 0.000 0.297 160 F C 2.119 177.947 175.800 0.046 0.000 1.094 160 F CA 0.331 58.426 58.000 0.159 0.000 1.121 160 F CB -0.375 38.810 39.000 0.308 0.000 1.622 160 F HN -0.127 nan 8.300 nan 0.000 0.521 161 T N -2.679 112.033 114.554 0.264 0.000 3.113 161 T HA -0.095 4.255 4.350 -0.000 0.000 0.256 161 T C 1.746 176.437 174.700 -0.016 0.000 1.131 161 T CA 0.386 62.500 62.100 0.024 0.000 1.074 161 T CB -0.822 67.932 68.868 -0.191 0.000 0.944 161 T HN 0.370 nan 8.240 nan 0.000 0.516 162 F N 2.608 122.553 119.950 -0.007 0.000 2.126 162 F HA 0.035 4.562 4.527 -0.000 0.000 0.299 162 F C 2.222 177.905 175.800 -0.194 0.000 1.096 162 F CA 1.194 59.173 58.000 -0.034 0.000 1.255 162 F CB -0.300 38.806 39.000 0.177 0.000 0.997 162 F HN 0.104 nan 8.300 nan 0.000 0.479 163 K N -0.211 119.905 120.400 -0.473 0.000 2.057 163 K HA -0.276 4.043 4.320 -0.000 0.000 0.207 163 K C 2.239 178.412 176.600 -0.711 0.000 1.049 163 K CA 1.699 57.398 56.287 -0.980 0.000 0.931 163 K CB -0.307 31.587 32.500 -1.010 0.000 0.714 163 K HN 0.319 nan 8.250 nan 0.000 0.440 164 Q N 1.186 120.676 119.800 -0.516 0.000 2.124 164 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 164 Q C 1.784 177.335 176.000 -0.748 0.000 0.977 164 Q CA 1.997 57.511 55.803 -0.483 0.000 0.850 164 Q CB -0.029 28.522 28.738 -0.311 0.000 0.901 164 Q HN 0.410 nan 8.270 nan 0.000 0.429 165 E N -1.024 118.593 120.200 -0.971 0.000 2.058 165 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 165 E C 1.824 177.931 176.600 -0.821 0.000 0.997 165 E CA 1.640 57.228 56.400 -1.354 0.000 0.801 165 E CB -0.200 28.929 29.700 -0.952 0.000 0.746 165 E HN 0.542 nan 8.360 nan 0.000 0.450 166 C N 0.803 119.693 119.300 -0.683 0.000 2.432 166 C HA -0.076 4.384 4.460 -0.000 0.000 0.277 166 C C 2.626 177.432 174.990 -0.308 0.000 1.249 166 C CA 0.858 59.615 59.018 -0.435 0.000 1.725 166 C CB -0.815 26.610 27.740 -0.524 0.000 2.028 166 C HN 0.475 nan 8.230 nan 0.000 0.477 167 K N 0.417 120.592 120.400 -0.376 0.000 2.103 167 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 167 K C 1.812 178.270 176.600 -0.236 0.000 1.048 167 K CA 1.319 57.444 56.287 -0.270 0.000 0.930 167 K CB -0.079 32.250 32.500 -0.285 0.000 0.716 167 K HN 0.384 nan 8.250 nan 0.000 0.444 168 I N 0.901 121.271 120.570 -0.334 0.000 2.339 168 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 168 I C 1.929 177.919 176.117 -0.212 0.000 1.096 168 I CA 1.330 62.474 61.300 -0.260 0.000 1.408 168 I CB -0.551 37.250 38.000 -0.333 0.000 1.092 168 I HN 0.131 nan 8.210 nan 0.000 0.423 169 K N -0.846 119.376 120.400 -0.297 0.000 2.137 169 K HA -0.054 4.266 4.320 -0.000 0.000 0.202 169 K C 1.245 177.530 176.600 -0.526 0.000 1.052 169 K CA 1.201 57.289 56.287 -0.331 0.000 0.961 169 K CB 0.257 32.577 32.500 -0.301 0.000 0.741 169 K HN 0.194 nan 8.250 nan 0.000 0.452 170 Y N -0.689 119.532 120.300 -0.133 0.000 2.888 170 Y HA 0.135 4.685 4.550 -0.000 0.000 0.125 170 Y C 0.592 176.429 175.900 -0.105 0.000 0.880 170 Y CA -0.238 57.804 58.100 -0.097 0.000 1.860 170 Y CB 0.577 38.976 38.460 -0.101 0.000 1.224 170 Y HN -0.069 nan 8.280 nan 0.000 0.288 171 S N -1.276 114.470 115.700 0.076 0.000 2.655 171 S HA 0.177 4.647 4.470 -0.000 0.000 0.266 171 S C -0.038 174.535 174.600 -0.045 0.000 1.149 171 S CA -0.662 57.530 58.200 -0.013 0.000 0.818 171 S CB 1.578 64.784 63.200 0.008 0.000 1.130 171 S HN 0.411 nan 8.310 nan 0.000 0.476 172 E N 0.049 120.221 120.200 -0.047 0.000 2.347 172 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 172 E C 1.908 178.522 176.600 0.023 0.000 1.008 172 E CA 0.302 56.693 56.400 -0.015 0.000 0.852 172 E CB -0.012 29.675 29.700 -0.021 0.000 0.783 172 E HN 0.527 nan 8.360 nan 0.000 0.505 173 R N -0.208 120.286 120.500 -0.009 0.000 2.115 173 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 173 R C 2.056 178.322 176.300 -0.057 0.000 1.111 173 R CA 0.945 57.031 56.100 -0.024 0.000 0.976 173 R CB 0.158 30.445 30.300 -0.022 0.000 0.870 173 R HN 0.100 nan 8.270 nan 0.000 0.445 174 V N 0.025 119.897 119.914 -0.070 0.000 2.719 174 V HA -0.195 3.924 4.120 -0.000 0.000 0.252 174 V C 1.713 177.715 176.094 -0.154 0.000 1.065 174 V CA 1.200 63.417 62.300 -0.138 0.000 1.086 174 V CB -0.524 31.191 31.823 -0.180 0.000 0.700 174 V HN 0.351 nan 8.190 nan 0.000 0.467 175 Y N 1.571 121.719 120.300 -0.254 0.000 2.184 175 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 175 Y C 2.292 178.072 175.900 -0.201 0.000 1.129 175 Y CA 1.764 59.683 58.100 -0.302 0.000 1.144 175 Y CB -0.360 37.917 38.460 -0.305 0.000 0.995 175 Y HN 0.289 nan 8.280 nan 0.000 0.513 176 D N 0.252 120.514 120.400 -0.231 0.000 2.144 176 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 176 D C 2.249 178.399 176.300 -0.250 0.000 0.984 176 D CA 1.487 55.327 54.000 -0.268 0.000 0.834 176 D CB -0.526 40.216 40.800 -0.097 0.000 0.955 176 D HN 0.485 nan 8.370 nan 0.000 0.465 177 A N 0.119 122.818 122.820 -0.201 0.000 1.930 177 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 177 A C 2.488 179.928 177.584 -0.239 0.000 1.175 177 A CA 1.052 52.988 52.037 -0.167 0.000 0.627 177 A CB -0.787 18.131 19.000 -0.138 0.000 0.815 177 A HN 0.336 nan 8.150 nan 0.000 0.443 178 C N -0.943 118.126 119.300 -0.385 0.000 2.450 178 C HA -0.019 4.441 4.460 -0.000 0.000 0.279 178 C C 2.800 177.269 174.990 -0.869 0.000 1.335 178 C CA 0.984 59.606 59.018 -0.660 0.000 1.749 178 C CB -0.911 26.465 27.740 -0.607 0.000 1.963 178 C HN 0.561 nan 8.230 nan 0.000 0.501 179 M N 0.595 119.827 119.600 -0.613 0.000 2.229 179 M HA -0.071 4.408 4.480 -0.000 0.000 0.264 179 M C 1.563 177.800 176.300 -0.105 0.000 1.063 179 M CA 1.559 56.624 55.300 -0.392 0.000 1.114 179 M CB -1.202 31.138 32.600 -0.434 0.000 1.387 179 M HN 0.391 nan 8.290 nan 0.000 0.420 180 D N 0.256 120.607 120.400 -0.081 0.000 2.183 180 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 180 D C 1.990 178.381 176.300 0.152 0.000 0.962 180 D CA 1.175 55.203 54.000 0.047 0.000 0.849 180 D CB -0.077 40.737 40.800 0.023 0.000 0.978 180 D HN 0.261 nan 8.370 nan 0.000 0.488 181 A N 0.617 123.525 122.820 0.146 0.000 1.972 181 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 181 A C 1.818 179.761 177.584 0.598 0.000 1.169 181 A CA 0.844 53.104 52.037 0.372 0.000 0.635 181 A CB -0.676 18.586 19.000 0.436 0.000 0.810 181 A HN 0.082 nan 8.150 nan 0.000 0.446 182 F N 0.645 120.740 119.950 0.241 0.000 2.259 182 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 182 F C 1.855 177.740 175.800 0.141 0.000 1.088 182 F CA 0.717 58.847 58.000 0.217 0.000 1.358 182 F CB -0.825 38.248 39.000 0.122 0.000 1.040 182 F HN 0.240 nan 8.300 nan 0.000 0.505 183 D N -0.668 119.923 120.400 0.317 0.000 2.144 183 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 183 D C 2.181 178.552 176.300 0.118 0.000 0.984 183 D CA 1.094 55.213 54.000 0.198 0.000 0.834 183 D CB -0.586 40.347 40.800 0.223 0.000 0.955 183 D HN 0.206 nan 8.370 nan 0.000 0.465 184 C N 0.653 120.093 119.300 0.233 0.000 2.511 184 C HA 0.117 4.577 4.460 -0.000 0.000 0.277 184 C C 1.185 176.196 174.990 0.036 0.000 1.451 184 C CA -0.602 58.539 59.018 0.205 0.000 1.735 184 C CB -1.432 26.512 27.740 0.341 0.000 1.704 184 C HN 0.200 nan 8.230 nan 0.000 0.571 185 L N 2.123 123.375 121.223 0.050 0.000 2.367 185 L HA 0.233 4.573 4.340 -0.000 0.000 0.275 185 L C -2.137 174.690 176.870 -0.073 0.000 1.129 185 L CA -1.407 53.440 54.840 0.011 0.000 0.839 185 L CB 0.514 42.623 42.059 0.082 0.000 1.133 185 L HN -0.128 nan 8.230 nan 0.000 0.453 186 P HA 0.037 nan 4.420 nan 0.000 0.269 186 P C 0.407 177.678 177.300 -0.049 0.000 1.209 186 P CA -0.036 63.025 63.100 -0.066 0.000 0.776 186 P CB 0.713 32.406 31.700 -0.013 0.000 0.876 187 L N 1.032 122.219 121.223 -0.061 0.000 2.102 187 L HA 0.156 4.496 4.340 -0.000 0.000 0.202 187 L C 1.268 178.127 176.870 -0.018 0.000 1.076 187 L CA 1.045 55.858 54.840 -0.043 0.000 0.761 187 L CB -0.537 41.492 42.059 -0.050 0.000 0.921 187 L HN 0.388 nan 8.230 nan 0.000 0.444 188 A N -0.498 122.313 122.820 -0.016 0.000 2.414 188 A HA 0.878 5.198 4.320 -0.000 0.000 0.278 188 A C -1.135 176.441 177.584 -0.013 0.000 1.228 188 A CA 0.013 52.048 52.037 -0.005 0.000 0.857 188 A CB 1.402 20.404 19.000 0.004 0.000 1.389 188 A HN 0.104 nan 8.150 nan 0.000 0.452 189 A N -0.364 122.449 122.820 -0.011 0.000 2.513 189 A HA 0.525 4.845 4.320 -0.000 0.000 0.285 189 A C -1.449 176.123 177.584 -0.020 0.000 1.047 189 A CA -0.329 51.683 52.037 -0.042 0.000 0.864 189 A CB 0.606 19.573 19.000 -0.056 0.000 1.373 189 A HN 1.699 nan 8.150 nan 0.000 0.403 190 L N 4.141 125.346 121.223 -0.030 0.000 2.295 190 L HA 0.580 4.920 4.340 -0.000 0.000 0.288 190 L C 0.031 176.896 176.870 -0.008 0.000 1.079 190 L CA 0.000 54.840 54.840 0.000 0.000 0.830 190 L CB 0.709 42.762 42.059 -0.010 0.000 1.200 190 L HN 0.752 nan 8.230 nan 0.000 0.438 191 M N 5.456 125.087 119.600 0.052 0.000 2.066 191 M HA 0.245 4.725 4.480 -0.000 0.000 0.340 191 M C 0.211 176.612 176.300 0.168 0.000 1.053 191 M CA 0.014 55.357 55.300 0.072 0.000 0.983 191 M CB 0.251 32.867 32.600 0.027 0.000 1.520 191 M HN 0.849 nan 8.290 nan 0.000 0.428 192 N N 3.431 122.206 118.700 0.125 0.000 2.735 192 N HA -0.189 4.550 4.740 -0.000 0.000 0.248 192 N C -0.106 175.446 175.510 0.069 0.000 1.083 192 N CA 1.301 54.438 53.050 0.145 0.000 0.703 192 N CB -0.434 38.241 38.487 0.314 0.000 1.005 192 N HN 0.845 nan 8.380 nan 0.000 0.550 193 Q N -3.252 116.562 119.800 0.023 0.000 2.264 193 Q HA -0.352 3.988 4.340 -0.000 0.000 0.207 193 Q C 0.698 176.647 176.000 -0.084 0.000 0.702 193 Q CA 2.295 58.083 55.803 -0.025 0.000 1.411 193 Q CB -1.364 27.358 28.738 -0.026 0.000 1.717 193 Q HN 0.851 nan 8.270 nan 0.000 0.683 194 Q N -1.331 118.385 119.800 -0.141 0.000 2.462 194 Q HA 0.233 4.573 4.340 -0.000 0.000 0.224 194 Q C 0.095 175.798 176.000 -0.496 0.000 0.911 194 Q CA 0.359 55.923 55.803 -0.399 0.000 0.925 194 Q CB 0.600 28.926 28.738 -0.686 0.000 1.063 194 Q HN 0.237 nan 8.270 nan 0.000 0.572 195 F N 0.721 120.615 119.950 -0.094 0.000 2.432 195 F HA 0.413 4.939 4.527 -0.000 0.000 0.329 195 F C -0.243 175.538 175.800 -0.031 0.000 1.076 195 F CA -1.064 56.893 58.000 -0.072 0.000 1.018 195 F CB 1.390 40.311 39.000 -0.133 0.000 1.201 195 F HN -0.072 nan 8.300 nan 0.000 0.489 196 L N 3.433 124.786 121.223 0.218 0.000 2.343 196 L HA 0.527 4.867 4.340 -0.000 0.000 0.278 196 L C -1.657 175.269 176.870 0.094 0.000 0.996 196 L CA -0.356 54.563 54.840 0.132 0.000 0.831 196 L CB 0.856 43.007 42.059 0.153 0.000 1.232 196 L HN 0.713 nan 8.230 nan 0.000 0.413 197 C N 5.804 125.135 119.300 0.052 0.000 2.281 197 C HA 0.749 5.208 4.460 -0.000 0.000 0.323 197 C C 0.543 175.542 174.990 0.013 0.000 1.270 197 C CA -0.776 58.256 59.018 0.022 0.000 1.559 197 C CB 0.672 28.413 27.740 0.001 0.000 2.239 197 C HN 0.634 nan 8.230 nan 0.000 0.488 198 V N 0.397 120.314 119.914 0.004 0.000 3.156 198 V HA 0.578 4.698 4.120 -0.000 0.000 0.311 198 V C 0.586 176.696 176.094 0.027 0.000 1.208 198 V CA -0.458 61.845 62.300 0.005 0.000 1.063 198 V CB 1.288 33.091 31.823 -0.033 0.000 1.098 198 V HN 0.786 nan 8.190 nan 0.000 0.452 199 H N 1.060 120.086 119.070 -0.074 0.000 2.268 199 H HA 0.322 4.878 4.556 -0.000 0.000 0.313 199 H C 1.783 177.067 175.328 -0.074 0.000 1.056 199 H CA 2.478 58.464 56.048 -0.103 0.000 1.369 199 H CB -0.302 29.337 29.762 -0.205 0.000 1.422 199 H HN 0.887 nan 8.280 nan 0.000 0.520 200 G N -1.345 107.350 108.800 -0.175 0.000 2.607 200 G HA2 0.348 4.308 3.960 -0.000 0.000 0.215 200 G HA3 0.348 4.308 3.960 -0.000 0.000 0.215 200 G C 0.668 175.625 174.900 0.095 0.000 1.275 200 G CA 0.698 45.738 45.100 -0.101 0.000 0.842 200 G HN 0.805 nan 8.290 nan 0.000 0.555 201 G N -1.432 107.395 108.800 0.045 0.000 2.565 201 G HA2 0.408 4.368 3.960 -0.000 0.000 0.142 201 G HA3 0.408 4.368 3.960 -0.000 0.000 0.142 201 G C -0.832 173.882 174.900 -0.310 0.000 1.181 201 G CA -0.533 44.464 45.100 -0.172 0.000 1.066 201 G HN 0.349 nan 8.290 nan 0.000 0.530 202 L N 0.114 120.993 121.223 -0.573 0.000 2.567 202 L HA 0.741 5.080 4.340 -0.000 0.000 0.238 202 L C 0.528 177.367 176.870 -0.052 0.000 1.168 202 L CA -0.568 54.052 54.840 -0.367 0.000 0.817 202 L CB 1.456 43.270 42.059 -0.408 0.000 1.409 202 L HN 0.532 nan 8.230 nan 0.000 0.502 203 S N -1.156 114.475 115.700 -0.115 0.000 2.541 203 S HA 0.441 4.911 4.470 -0.000 0.000 0.271 203 S C -2.226 171.960 174.600 -0.689 0.000 1.133 203 S CA -1.140 56.870 58.200 -0.316 0.000 0.876 203 S CB 1.942 65.063 63.200 -0.132 0.000 1.105 203 S HN 0.361 nan 8.310 nan 0.000 0.470 204 P HA 0.035 nan 4.420 nan 0.000 0.226 204 P C 0.286 177.388 177.300 -0.330 0.000 1.153 204 P CA 0.837 63.375 63.100 -0.937 0.000 0.777 204 P CB 0.133 31.238 31.700 -0.992 0.000 0.794 205 E N -0.588 119.474 120.200 -0.230 0.000 2.463 205 E HA 0.210 4.560 4.350 -0.000 0.000 0.193 205 E C 0.373 176.964 176.600 -0.014 0.000 1.041 205 E CA -0.108 56.243 56.400 -0.081 0.000 0.879 205 E CB 0.184 29.856 29.700 -0.047 0.000 0.997 205 E HN 0.315 nan 8.360 nan 0.000 0.478 206 I N 1.623 122.202 120.570 0.014 0.000 2.420 206 I HA 0.181 4.350 4.170 -0.000 0.000 0.282 206 I C 0.360 176.654 176.117 0.295 0.000 1.019 206 I CA -0.370 61.008 61.300 0.129 0.000 1.130 206 I CB 1.224 39.298 38.000 0.123 0.000 1.262 206 I HN -0.023 nan 8.210 nan 0.000 0.454 207 N N 2.885 121.702 118.700 0.195 0.000 2.463 207 N HA 0.086 4.825 4.740 -0.000 0.000 0.183 207 N C 0.594 175.999 175.510 -0.175 0.000 1.064 207 N CA 0.495 53.631 53.050 0.144 0.000 0.879 207 N CB 0.880 39.450 38.487 0.137 0.000 1.148 207 N HN 0.630 nan 8.380 nan 0.000 0.451 208 T N -2.418 112.032 114.554 -0.173 0.000 2.888 208 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 208 T C 1.098 175.694 174.700 -0.173 0.000 1.063 208 T CA -0.701 61.184 62.100 -0.359 0.000 1.010 208 T CB 1.340 70.025 68.868 -0.304 0.000 1.214 208 T HN -0.165 nan 8.240 nan 0.000 0.533 209 L N -0.076 121.038 121.223 -0.182 0.000 2.395 209 L HA 0.099 4.439 4.340 -0.000 0.000 0.218 209 L C 1.955 178.803 176.870 -0.037 0.000 1.130 209 L CA 0.952 55.759 54.840 -0.055 0.000 0.826 209 L CB -0.443 41.576 42.059 -0.065 0.000 0.941 209 L HN 0.759 nan 8.230 nan 0.000 0.451 210 D N 0.127 120.489 120.400 -0.063 0.000 2.269 210 D HA -0.149 4.491 4.640 -0.000 0.000 0.208 210 D C 1.532 177.825 176.300 -0.013 0.000 0.963 210 D CA 0.773 54.751 54.000 -0.037 0.000 0.864 210 D CB 0.262 41.034 40.800 -0.048 0.000 0.936 210 D HN 0.201 nan 8.370 nan 0.000 0.505 211 D N -0.576 119.822 120.400 -0.005 0.000 2.117 211 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 211 D C 1.980 178.293 176.300 0.022 0.000 0.982 211 D CA 0.687 54.697 54.000 0.017 0.000 0.828 211 D CB -0.022 40.800 40.800 0.037 0.000 0.967 211 D HN 0.289 nan 8.370 nan 0.000 0.464 212 I N 0.383 120.970 120.570 0.029 0.000 2.315 212 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 212 I C 2.230 178.354 176.117 0.010 0.000 1.117 212 I CA 0.906 62.219 61.300 0.022 0.000 1.404 212 I CB -0.135 37.885 38.000 0.033 0.000 1.071 212 I HN -0.061 nan 8.210 nan 0.000 0.419 213 R N 0.895 121.401 120.500 0.009 0.000 2.092 213 R HA -0.101 4.238 4.340 -0.000 0.000 0.231 213 R C 1.931 178.242 176.300 0.018 0.000 1.119 213 R CA 1.045 57.151 56.100 0.010 0.000 0.970 213 R CB -0.144 30.159 30.300 0.005 0.000 0.864 213 R HN 0.290 nan 8.270 nan 0.000 0.440 214 K N 0.366 120.776 120.400 0.017 0.000 2.444 214 K HA 0.124 4.444 4.320 -0.000 0.000 0.193 214 K C 0.215 176.831 176.600 0.026 0.000 1.024 214 K CA 0.020 56.321 56.287 0.023 0.000 1.077 214 K CB 0.227 32.739 32.500 0.019 0.000 0.833 214 K HN 0.117 nan 8.250 nan 0.000 0.517 215 L N 1.503 122.738 121.223 0.020 0.000 2.397 215 L HA 0.043 4.383 4.340 -0.000 0.000 0.271 215 L C -0.085 176.799 176.870 0.023 0.000 1.148 215 L CA -0.167 54.682 54.840 0.015 0.000 0.825 215 L CB 0.666 42.726 42.059 0.001 0.000 1.117 215 L HN -0.003 nan 8.230 nan 0.000 0.456 216 D N 2.650 123.068 120.400 0.030 0.000 2.339 216 D HA 0.194 4.834 4.640 -0.000 0.000 0.241 216 D C 0.318 176.635 176.300 0.029 0.000 1.183 216 D CA -0.158 53.877 54.000 0.059 0.000 0.859 216 D CB 0.759 41.601 40.800 0.070 0.000 1.067 216 D HN 0.328 nan 8.370 nan 0.000 0.484 217 R N 2.528 123.027 120.500 -0.002 0.000 2.465 217 R HA 0.366 4.706 4.340 -0.000 0.000 0.198 217 R C -0.045 176.248 176.300 -0.012 0.000 1.188 217 R CA -0.459 55.545 56.100 -0.160 0.000 1.080 217 R CB 0.257 30.261 30.300 -0.494 0.000 1.862 217 R HN 0.504 nan 8.270 nan 0.000 0.517 218 F N 0.052 120.027 119.950 0.041 0.000 3.027 218 F HA -0.292 4.235 4.527 -0.000 0.000 0.276 218 F C -0.418 175.407 175.800 0.041 0.000 0.967 218 F CA 1.532 59.559 58.000 0.045 0.000 0.929 218 F CB -1.603 37.420 39.000 0.037 0.000 0.873 218 F HN 0.454 nan 8.300 nan 0.000 0.787 219 K N -1.983 118.504 120.400 0.145 0.000 2.615 219 K HA 0.628 4.947 4.320 -0.000 0.000 0.291 219 K C -0.957 175.689 176.600 0.077 0.000 1.017 219 K CA -1.410 54.941 56.287 0.106 0.000 0.882 219 K CB 1.442 33.989 32.500 0.080 0.000 1.522 219 K HN -0.129 nan 8.250 nan 0.000 0.412 220 E N 1.840 122.084 120.200 0.073 0.000 2.299 220 E HA 0.198 4.548 4.350 -0.000 0.000 0.272 220 E C -2.251 174.362 176.600 0.022 0.000 1.043 220 E CA -1.603 54.839 56.400 0.071 0.000 0.895 220 E CB 0.545 30.298 29.700 0.089 0.000 1.011 220 E HN 0.299 nan 8.360 nan 0.000 0.432 221 P HA 0.004 nan 4.420 nan 0.000 0.259 221 P C -2.407 174.844 177.300 -0.082 0.000 1.163 221 P CA -0.437 62.661 63.100 -0.003 0.000 0.760 221 P CB 0.093 31.842 31.700 0.080 0.000 0.762 222 P HA 0.117 nan 4.420 nan 0.000 0.274 222 P C 0.363 177.498 177.300 -0.274 0.000 1.256 222 P CA -0.289 62.656 63.100 -0.258 0.000 0.795 222 P CB 0.599 32.029 31.700 -0.450 0.000 1.038 223 A N 0.072 122.755 122.820 -0.228 0.000 2.067 223 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 223 A C 0.304 177.842 177.584 -0.077 0.000 1.156 223 A CA 1.228 53.183 52.037 -0.137 0.000 0.683 223 A CB -1.006 18.002 19.000 0.013 0.000 0.808 223 A HN 0.650 nan 8.150 nan 0.000 0.455 224 Y N -4.348 115.886 120.300 -0.110 0.000 2.609 224 Y HA 0.652 5.202 4.550 -0.000 0.000 0.342 224 Y C 0.287 176.168 175.900 -0.032 0.000 1.058 224 Y CA -1.513 56.541 58.100 -0.078 0.000 1.055 224 Y CB 0.393 38.827 38.460 -0.043 0.000 1.292 224 Y HN 0.957 nan 8.280 nan 0.000 0.476 225 G N 0.654 109.467 108.800 0.021 0.000 2.566 225 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.599 225 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.599 225 G C -2.467 172.422 174.900 -0.018 0.000 1.292 225 G CA -0.523 44.564 45.100 -0.021 0.000 0.922 225 G HN 0.668 nan 8.290 nan 0.000 0.514 226 P HA -0.171 nan 4.420 nan 0.000 0.214 226 P C 2.065 179.358 177.300 -0.013 0.000 1.162 226 P CA 2.349 65.438 63.100 -0.018 0.000 0.879 226 P CB -0.011 31.681 31.700 -0.014 0.000 0.786 227 M N -0.671 118.911 119.600 -0.029 0.000 2.213 227 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 227 M C 2.354 178.667 176.300 0.021 0.000 1.062 227 M CA 1.708 56.997 55.300 -0.018 0.000 1.105 227 M CB -0.626 31.950 32.600 -0.040 0.000 1.385 227 M HN 0.024 nan 8.290 nan 0.000 0.417 228 C N 1.168 120.477 119.300 0.016 0.000 2.453 228 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 228 C C 2.017 177.129 174.990 0.203 0.000 1.262 228 C CA 1.490 60.569 59.018 0.102 0.000 1.718 228 C CB -1.091 26.617 27.740 -0.052 0.000 2.031 228 C HN 0.572 nan 8.230 nan 0.000 0.480 229 D N 0.683 121.153 120.400 0.116 0.000 2.219 229 D HA -0.035 4.605 4.640 -0.000 0.000 0.205 229 D C 1.978 178.354 176.300 0.127 0.000 0.970 229 D CA 1.035 55.129 54.000 0.157 0.000 0.851 229 D CB -0.419 40.458 40.800 0.128 0.000 0.943 229 D HN 0.567 nan 8.370 nan 0.000 0.488 230 I N -0.013 120.596 120.570 0.065 0.000 2.315 230 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 230 I C 1.606 177.735 176.117 0.021 0.000 1.117 230 I CA 0.657 61.967 61.300 0.016 0.000 1.404 230 I CB 0.125 38.123 38.000 -0.003 0.000 1.071 230 I HN -0.011 nan 8.210 nan 0.000 0.419 231 L N -1.706 119.541 121.223 0.041 0.000 2.416 231 L HA -0.018 4.322 4.340 -0.000 0.000 0.216 231 L C 1.402 178.117 176.870 -0.258 0.000 1.098 231 L CA 1.373 56.173 54.840 -0.068 0.000 0.840 231 L CB -0.427 41.583 42.059 -0.082 0.000 0.981 231 L HN 0.258 nan 8.230 nan 0.000 0.462 232 W N -1.961 119.286 121.300 -0.090 0.000 2.873 232 W HA 0.263 4.922 4.660 -0.000 0.000 0.282 232 W C 1.088 177.711 176.519 0.173 0.000 1.118 232 W CA -0.183 57.149 57.345 -0.023 0.000 1.480 232 W CB -0.013 29.475 29.460 0.047 0.000 0.954 232 W HN -0.283 nan 8.180 nan 0.000 0.591 233 S N 2.392 118.335 115.700 0.406 0.000 2.544 233 S HA 0.029 4.498 4.470 -0.000 0.000 0.290 233 S C -0.241 174.693 174.600 0.557 0.000 1.276 233 S CA 0.198 58.693 58.200 0.490 0.000 1.075 233 S CB 0.166 63.702 63.200 0.559 0.000 0.849 233 S HN -0.006 nan 8.310 nan 0.000 0.494 234 D N 3.946 124.584 120.400 0.397 0.000 2.228 234 D HA 0.409 5.049 4.640 -0.000 0.000 0.247 234 D C -2.392 173.783 176.300 -0.209 0.000 0.995 234 D CA -1.729 52.389 54.000 0.195 0.000 0.903 234 D CB 1.290 42.253 40.800 0.273 0.000 1.205 234 D HN 0.199 nan 8.370 nan 0.000 0.459 235 P HA 0.095 nan 4.420 nan 0.000 0.279 235 P C -0.026 177.060 177.300 -0.357 0.000 1.239 235 P CA -0.723 61.793 63.100 -0.974 0.000 0.789 235 P CB 0.910 31.917 31.700 -1.155 0.000 0.933 236 L N 3.808 124.857 121.223 -0.291 0.000 2.559 236 L HA -0.073 4.267 4.340 -0.000 0.000 0.274 236 L C 1.771 178.458 176.870 -0.305 0.000 1.205 236 L CA 0.732 55.252 54.840 -0.533 0.000 0.907 236 L CB -0.844 41.028 42.059 -0.312 0.000 1.153 236 L HN 0.450 nan 8.230 nan 0.000 0.490 237 E N 2.454 122.386 120.200 -0.447 0.000 2.245 237 E HA -0.263 4.087 4.350 -0.000 0.000 0.217 237 E C -0.268 176.293 176.600 -0.065 0.000 1.069 237 E CA 1.921 58.202 56.400 -0.199 0.000 0.877 237 E CB -0.175 29.402 29.700 -0.204 0.000 0.757 237 E HN 0.699 nan 8.360 nan 0.000 0.464 238 D N -0.194 120.168 120.400 -0.063 0.000 2.454 238 D HA 0.171 4.811 4.640 -0.000 0.000 0.225 238 D C -1.180 175.165 176.300 0.076 0.000 1.081 238 D CA -0.206 53.794 54.000 -0.000 0.000 0.864 238 D CB 0.432 41.208 40.800 -0.041 0.000 1.040 238 D HN -0.061 nan 8.370 nan 0.000 0.517 239 F N 1.189 121.114 119.950 -0.042 0.000 2.291 239 F HA 0.404 4.930 4.527 -0.000 0.000 0.368 239 F C 1.176 176.943 175.800 -0.055 0.000 1.085 239 F CA -0.087 57.905 58.000 -0.014 0.000 1.165 239 F CB 0.739 39.801 39.000 0.104 0.000 1.429 239 F HN 0.575 nan 8.300 nan 0.000 0.503 240 G N 3.034 111.732 108.800 -0.170 0.000 2.255 240 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.196 240 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.196 240 G C 0.722 175.568 174.900 -0.090 0.000 0.998 240 G CA -0.184 44.802 45.100 -0.189 0.000 0.656 240 G HN 0.519 nan 8.290 nan 0.000 0.490 241 N N 0.877 119.543 118.700 -0.057 0.000 2.238 241 N HA 0.149 4.889 4.740 -0.000 0.000 0.222 241 N C -0.542 174.945 175.510 -0.039 0.000 1.133 241 N CA -0.058 52.968 53.050 -0.040 0.000 0.854 241 N CB 0.475 38.944 38.487 -0.029 0.000 1.041 241 N HN 0.484 nan 8.380 nan 0.000 0.510 242 E N 1.322 121.491 120.200 -0.052 0.000 2.238 242 E HA 0.025 4.375 4.350 -0.000 0.000 0.264 242 E C 0.677 177.262 176.600 -0.025 0.000 1.136 242 E CA 0.296 56.668 56.400 -0.047 0.000 0.929 242 E CB 0.814 30.473 29.700 -0.068 0.000 1.010 242 E HN 0.156 nan 8.360 nan 0.000 0.440 243 K N 1.443 121.833 120.400 -0.017 0.000 1.975 243 K HA -0.036 4.284 4.320 -0.000 0.000 0.210 243 K C 0.800 177.401 176.600 0.001 0.000 1.041 243 K CA 1.233 57.517 56.287 -0.006 0.000 0.942 243 K CB -0.161 32.336 32.500 -0.005 0.000 0.729 243 K HN 0.520 nan 8.250 nan 0.000 0.439 244 T N 0.865 115.423 114.554 0.007 0.000 2.738 244 T HA 0.089 4.439 4.350 -0.000 0.000 0.294 244 T C -0.117 174.596 174.700 0.022 0.000 0.914 244 T CA -0.592 61.519 62.100 0.017 0.000 1.052 244 T CB 0.957 69.841 68.868 0.026 0.000 0.897 244 T HN 0.077 nan 8.240 nan 0.000 0.522 245 Q N 2.183 121.998 119.800 0.024 0.000 2.311 245 Q HA 0.242 4.582 4.340 -0.000 0.000 0.272 245 Q C -0.322 175.718 176.000 0.066 0.000 1.012 245 Q CA 0.198 56.022 55.803 0.035 0.000 0.891 245 Q CB 0.554 29.314 28.738 0.037 0.000 1.201 245 Q HN 0.863 nan 8.270 nan 0.000 0.391 246 E N 1.129 121.383 120.200 0.090 0.000 2.445 246 E HA 0.227 4.577 4.350 -0.000 0.000 0.279 246 E C -0.997 175.721 176.600 0.197 0.000 1.018 246 E CA -0.409 56.074 56.400 0.138 0.000 0.816 246 E CB 1.024 30.794 29.700 0.115 0.000 1.356 246 E HN 0.643 nan 8.360 nan 0.000 0.462 247 H N 0.250 119.319 119.070 -0.003 0.000 2.368 247 H HA 0.449 5.005 4.556 -0.000 0.000 0.311 247 H C -0.433 174.725 175.328 -0.283 0.000 1.042 247 H CA 0.832 56.823 56.048 -0.095 0.000 1.377 247 H CB 0.387 30.189 29.762 0.065 0.000 1.473 247 H HN 0.258 nan 8.280 nan 0.000 0.593 248 F N 0.436 120.476 119.950 0.148 0.000 2.529 248 F HA 0.454 4.981 4.527 -0.000 0.000 0.320 248 F C -0.234 175.640 175.800 0.123 0.000 1.118 248 F CA -0.691 57.361 58.000 0.087 0.000 0.915 248 F CB 2.115 41.009 39.000 -0.177 0.000 1.161 248 F HN -0.184 nan 8.300 nan 0.000 0.445 249 T N 0.467 115.286 114.554 0.442 0.000 2.907 249 T HA 0.330 4.680 4.350 -0.000 0.000 0.292 249 T C -0.941 174.063 174.700 0.505 0.000 1.043 249 T CA -0.976 61.395 62.100 0.451 0.000 1.003 249 T CB 0.921 70.042 68.868 0.423 0.000 1.084 249 T HN 0.355 nan 8.240 nan 0.000 0.483 250 H N 2.000 121.305 119.070 0.392 0.000 3.046 250 H HA 0.117 4.673 4.556 -0.000 0.000 0.303 250 H C 0.720 176.017 175.328 -0.053 0.000 1.002 250 H CA 0.169 56.298 56.048 0.135 0.000 1.460 250 H CB 0.111 29.913 29.762 0.066 0.000 1.493 250 H HN 0.325 nan 8.280 nan 0.000 0.559 251 N N 2.602 121.143 118.700 -0.264 0.000 2.434 251 N HA -0.064 4.676 4.740 -0.000 0.000 0.273 251 N C 0.756 176.045 175.510 -0.368 0.000 1.210 251 N CA 0.117 52.715 53.050 -0.753 0.000 0.992 251 N CB 0.379 38.468 38.487 -0.662 0.000 1.355 251 N HN 0.776 nan 8.380 nan 0.000 0.495 252 T N -0.908 113.526 114.554 -0.200 0.000 2.915 252 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 252 T C 1.884 176.581 174.700 -0.004 0.000 1.071 252 T CA 0.738 62.829 62.100 -0.015 0.000 1.132 252 T CB -0.098 68.835 68.868 0.109 0.000 0.878 252 T HN 0.113 nan 8.240 nan 0.000 0.479 253 V N 1.741 121.648 119.914 -0.012 0.000 2.244 253 V HA -0.098 4.021 4.120 -0.000 0.000 0.244 253 V C 3.084 179.204 176.094 0.042 0.000 1.042 253 V CA 1.506 63.840 62.300 0.057 0.000 1.006 253 V CB -0.480 31.421 31.823 0.131 0.000 0.641 253 V HN 0.363 nan 8.190 nan 0.000 0.446 254 R N 0.003 120.510 120.500 0.012 0.000 2.073 254 R HA 0.027 4.367 4.340 -0.000 0.000 0.229 254 R C 1.988 178.279 176.300 -0.015 0.000 1.120 254 R CA 1.190 57.345 56.100 0.092 0.000 0.967 254 R CB -0.931 29.478 30.300 0.182 0.000 0.862 254 R HN 0.683 nan 8.270 nan 0.000 0.436 255 G N 0.184 108.931 108.800 -0.088 0.000 2.176 255 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.232 255 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.232 255 G C 0.323 175.112 174.900 -0.185 0.000 0.986 255 G CA 0.128 45.161 45.100 -0.111 0.000 0.643 255 G HN 0.605 nan 8.290 nan 0.000 0.522 256 C N -2.164 116.979 119.300 -0.262 0.000 3.332 256 C HA 0.969 5.428 4.460 -0.000 0.000 0.329 256 C C 0.675 175.457 174.990 -0.346 0.000 1.434 256 C CA 0.141 58.948 59.018 -0.351 0.000 1.314 256 C CB 1.321 28.736 27.740 -0.541 0.000 1.664 256 C HN 2.438 nan 8.230 nan 0.000 0.457 257 S N -0.635 114.824 115.700 -0.402 0.000 3.569 257 S HA -0.112 4.358 4.470 -0.000 0.000 0.635 257 S C -0.906 173.369 174.600 -0.541 0.000 2.396 257 S CA 0.848 58.828 58.200 -0.367 0.000 2.612 257 S CB -1.395 61.779 63.200 -0.043 0.000 0.331 257 S HN 1.573 nan 8.310 nan 0.000 1.764 258 Y N -0.772 119.554 120.300 0.043 0.000 2.633 258 Y HA 0.723 5.272 4.550 -0.000 0.000 0.339 258 Y C 0.156 176.188 175.900 0.220 0.000 1.045 258 Y CA -0.801 57.365 58.100 0.109 0.000 1.098 258 Y CB 0.994 39.606 38.460 0.254 0.000 1.296 258 Y HN 0.603 nan 8.280 nan 0.000 0.494 259 F N 1.117 121.335 119.950 0.446 0.000 2.458 259 F HA 0.427 4.954 4.527 -0.000 0.000 0.330 259 F C -0.874 175.057 175.800 0.217 0.000 1.082 259 F CA -1.049 57.094 58.000 0.239 0.000 0.995 259 F CB 1.241 40.324 39.000 0.139 0.000 1.170 259 F HN 0.394 nan 8.300 nan 0.000 0.478 260 Y N 0.544 120.987 120.300 0.237 0.000 2.376 260 Y HA 0.648 5.197 4.550 -0.000 0.000 0.340 260 Y C -0.461 175.420 175.900 -0.033 0.000 0.965 260 Y CA -1.276 56.724 58.100 -0.166 0.000 1.078 260 Y CB 0.835 39.148 38.460 -0.245 0.000 1.193 260 Y HN 0.486 nan 8.280 nan 0.000 0.452 261 S N 2.175 117.811 115.700 -0.108 0.000 2.738 261 S HA 0.201 4.671 4.470 -0.000 0.000 0.284 261 S C 0.492 174.867 174.600 -0.375 0.000 1.146 261 S CA -0.447 57.624 58.200 -0.215 0.000 0.997 261 S CB 0.737 63.797 63.200 -0.235 0.000 1.081 261 S HN 0.839 nan 8.310 nan 0.000 0.553 262 Y N 2.450 122.213 120.300 -0.895 0.000 2.181 262 Y HA 0.116 4.666 4.550 -0.000 0.000 0.288 262 Y C -1.062 174.613 175.900 -0.376 0.000 1.146 262 Y CA 1.302 58.921 58.100 -0.802 0.000 1.164 262 Y CB -1.375 36.570 38.460 -0.858 0.000 0.982 262 Y HN 0.526 nan 8.280 nan 0.000 0.515 263 P HA 0.045 nan 4.420 nan 0.000 0.242 263 P C 0.561 177.509 177.300 -0.585 0.000 1.197 263 P CA 1.520 64.330 63.100 -0.483 0.000 0.765 263 P CB 0.068 31.603 31.700 -0.275 0.000 0.936 264 A N -0.482 121.965 122.820 -0.623 0.000 2.063 264 A HA 0.127 4.447 4.320 -0.000 0.000 0.211 264 A C 2.123 179.572 177.584 -0.225 0.000 1.177 264 A CA 0.553 52.216 52.037 -0.623 0.000 0.759 264 A CB -0.686 17.860 19.000 -0.756 0.000 0.857 264 A HN 0.028 nan 8.150 nan 0.000 0.468 265 V N -1.610 118.212 119.914 -0.152 0.000 2.426 265 V HA -0.155 3.965 4.120 -0.000 0.000 0.242 265 V C 2.326 178.435 176.094 0.025 0.000 1.036 265 V CA 1.523 63.833 62.300 0.017 0.000 1.044 265 V CB -0.745 31.215 31.823 0.229 0.000 0.688 265 V HN 0.603 nan 8.190 nan 0.000 0.462 266 C N 0.173 119.378 119.300 -0.158 0.000 2.466 266 C HA -0.044 4.416 4.460 -0.000 0.000 0.283 266 C C 2.607 177.547 174.990 -0.083 0.000 1.472 266 C CA 1.209 60.124 59.018 -0.170 0.000 1.765 266 C CB -0.904 26.532 27.740 -0.505 0.000 1.724 266 C HN 0.633 nan 8.230 nan 0.000 0.560 267 E N -0.568 119.607 120.200 -0.042 0.000 2.102 267 E HA -0.037 4.312 4.350 -0.000 0.000 0.190 267 E C 1.690 178.369 176.600 0.132 0.000 0.971 267 E CA 0.817 57.239 56.400 0.037 0.000 0.821 267 E CB -0.325 29.414 29.700 0.065 0.000 0.777 267 E HN 0.596 nan 8.360 nan 0.000 0.460 268 F N 0.631 120.593 119.950 0.021 0.000 2.146 268 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 268 F C 1.612 177.428 175.800 0.027 0.000 1.096 268 F CA 1.185 59.213 58.000 0.047 0.000 1.275 268 F CB 0.060 39.078 39.000 0.031 0.000 1.008 268 F HN 0.009 nan 8.300 nan 0.000 0.480 269 L N -0.410 120.953 121.223 0.233 0.000 2.275 269 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 269 L C 2.116 179.002 176.870 0.027 0.000 1.119 269 L CA 1.093 56.010 54.840 0.127 0.000 0.790 269 L CB -0.580 41.557 42.059 0.130 0.000 0.919 269 L HN 0.273 nan 8.230 nan 0.000 0.443 270 Q N -1.608 118.207 119.800 0.024 0.000 2.259 270 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 270 Q C 1.975 177.991 176.000 0.026 0.000 0.938 270 Q CA 0.433 56.244 55.803 0.013 0.000 0.872 270 Q CB 0.123 28.869 28.738 0.014 0.000 0.971 270 Q HN 0.367 nan 8.270 nan 0.000 0.494 271 H N 0.563 119.566 119.070 -0.110 0.000 2.524 271 H HA 0.085 4.641 4.556 -0.000 0.000 0.282 271 H C 0.925 176.141 175.328 -0.188 0.000 1.016 271 H CA 0.984 56.948 56.048 -0.140 0.000 1.270 271 H CB 0.301 29.970 29.762 -0.155 0.000 1.394 271 H HN 0.170 nan 8.280 nan 0.000 0.568 272 N N -0.181 118.367 118.700 -0.252 0.000 2.181 272 N HA -0.046 4.694 4.740 -0.000 0.000 0.207 272 N C -0.325 175.089 175.510 -0.160 0.000 1.182 272 N CA 0.138 53.004 53.050 -0.308 0.000 0.893 272 N CB 0.446 38.664 38.487 -0.448 0.000 1.032 272 N HN 0.158 nan 8.380 nan 0.000 0.513 273 N N 1.126 119.766 118.700 -0.100 0.000 2.714 273 N HA -0.148 4.591 4.740 -0.000 0.000 0.253 273 N C -1.328 174.132 175.510 -0.083 0.000 1.024 273 N CA 0.465 53.472 53.050 -0.071 0.000 0.726 273 N CB -1.260 37.189 38.487 -0.064 0.000 0.908 273 N HN 0.294 nan 8.380 nan 0.000 0.542 274 L N -0.298 120.884 121.223 -0.069 0.000 2.334 274 L HA 0.436 4.776 4.340 -0.000 0.000 0.270 274 L C 1.431 178.236 176.870 -0.108 0.000 1.018 274 L CA -1.064 53.724 54.840 -0.087 0.000 0.811 274 L CB 1.036 43.091 42.059 -0.008 0.000 1.271 274 L HN 0.055 nan 8.230 nan 0.000 0.443 275 L N 0.428 121.496 121.223 -0.259 0.000 2.071 275 L HA 0.206 4.546 4.340 -0.000 0.000 0.201 275 L C 0.777 177.606 176.870 -0.067 0.000 1.076 275 L CA 1.422 56.083 54.840 -0.299 0.000 0.755 275 L CB 0.282 41.900 42.059 -0.735 0.000 0.915 275 L HN 0.648 nan 8.230 nan 0.000 0.445 276 S N -2.289 113.392 115.700 -0.032 0.000 2.671 276 S HA 0.591 5.061 4.470 -0.000 0.000 0.277 276 S C -1.228 173.562 174.600 0.317 0.000 1.165 276 S CA -0.754 57.622 58.200 0.294 0.000 0.822 276 S CB 0.948 64.517 63.200 0.615 0.000 1.150 276 S HN 0.029 nan 8.310 nan 0.000 0.479 277 I N 3.083 123.805 120.570 0.253 0.000 2.382 277 I HA 0.359 4.529 4.170 -0.000 0.000 0.285 277 I C -1.238 174.952 176.117 0.121 0.000 1.007 277 I CA -0.706 60.682 61.300 0.147 0.000 1.142 277 I CB 1.502 39.518 38.000 0.027 0.000 1.289 277 I HN 0.355 nan 8.210 nan 0.000 0.453 278 L N 7.164 128.444 121.223 0.096 0.000 2.264 278 L HA 0.529 4.869 4.340 -0.000 0.000 0.289 278 L C 0.203 177.084 176.870 0.017 0.000 1.044 278 L CA -0.360 54.503 54.840 0.039 0.000 0.807 278 L CB 0.664 42.700 42.059 -0.038 0.000 1.192 278 L HN 0.671 nan 8.230 nan 0.000 0.425 279 R N 2.493 123.005 120.500 0.020 0.000 3.018 279 R HA 1.030 5.369 4.340 -0.000 0.000 0.243 279 R C -0.415 175.887 176.300 0.003 0.000 1.315 279 R CA -0.437 55.663 56.100 -0.000 0.000 1.039 279 R CB 1.085 31.386 30.300 0.002 0.000 1.315 279 R HN 0.429 nan 8.270 nan 0.000 0.492 280 A N -1.594 121.187 122.820 -0.066 0.000 2.905 280 A HA 0.432 4.752 4.320 -0.000 0.000 0.193 280 A C 0.268 177.813 177.584 -0.065 0.000 1.268 280 A CA 0.772 52.794 52.037 -0.026 0.000 1.416 280 A CB -0.798 18.200 19.000 -0.002 0.000 1.753 280 A HN 0.935 nan 8.150 nan 0.000 0.583 281 H N -0.301 118.531 119.070 -0.397 0.000 5.124 281 H HA -0.180 4.376 4.556 -0.000 0.000 0.068 281 H C 0.076 175.380 175.328 -0.039 0.000 0.548 281 H CA 2.163 58.031 56.048 -0.301 0.000 1.054 281 H CB -0.997 28.498 29.762 -0.444 0.000 0.498 281 H HN 0.630 nan 8.280 nan 0.000 0.739 282 E N 0.651 120.796 120.200 -0.092 0.000 2.174 282 E HA 0.589 4.939 4.350 -0.000 0.000 0.282 282 E C -0.207 176.131 176.600 -0.437 0.000 0.992 282 E CA -0.016 56.256 56.400 -0.213 0.000 0.803 282 E CB 1.436 31.059 29.700 -0.128 0.000 1.090 282 E HN 0.517 nan 8.360 nan 0.000 0.396 283 A N 4.309 126.693 122.820 -0.726 0.000 2.491 283 A HA 0.059 4.379 4.320 -0.000 0.000 0.261 283 A C -0.148 176.984 177.584 -0.753 0.000 1.101 283 A CA -0.209 50.966 52.037 -1.437 0.000 0.772 283 A CB 0.223 18.551 19.000 -1.119 0.000 1.043 283 A HN 0.431 nan 8.150 nan 0.000 0.501 284 Q N 1.745 121.113 119.800 -0.720 0.000 2.274 284 Q HA 0.162 4.501 4.340 -0.000 0.000 0.260 284 Q C 0.219 176.104 176.000 -0.192 0.000 0.974 284 Q CA -0.449 55.165 55.803 -0.315 0.000 0.876 284 Q CB 1.789 30.401 28.738 -0.210 0.000 1.297 284 Q HN 0.894 nan 8.270 nan 0.000 0.446 285 D N 2.246 122.549 120.400 -0.162 0.000 2.117 285 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 285 D C 1.115 177.357 176.300 -0.096 0.000 0.987 285 D CA 1.578 55.518 54.000 -0.100 0.000 0.829 285 D CB 0.430 41.161 40.800 -0.116 0.000 0.961 285 D HN 0.639 nan 8.370 nan 0.000 0.460 286 A N -1.340 121.368 122.820 -0.187 0.000 2.251 286 A HA 0.486 4.806 4.320 -0.000 0.000 0.209 286 A C 1.828 179.403 177.584 -0.014 0.000 1.187 286 A CA 0.958 52.889 52.037 -0.177 0.000 0.823 286 A CB -0.328 18.386 19.000 -0.477 0.000 0.846 286 A HN 0.427 nan 8.150 nan 0.000 0.486 287 G N -1.987 106.814 108.800 0.001 0.000 2.176 287 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.253 287 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.253 287 G C 0.073 175.113 174.900 0.233 0.000 0.979 287 G CA 0.940 46.122 45.100 0.137 0.000 0.641 287 G HN 1.796 nan 8.290 nan 0.000 0.530 288 Y N -2.588 117.703 120.300 -0.015 0.000 2.725 288 Y HA 0.835 5.385 4.550 -0.000 0.000 0.333 288 Y C -0.615 175.230 175.900 -0.093 0.000 1.242 288 Y CA -1.705 56.378 58.100 -0.028 0.000 1.059 288 Y CB 0.873 39.317 38.460 -0.027 0.000 1.306 288 Y HN 0.326 nan 8.280 nan 0.000 0.454 289 R N 2.700 123.125 120.500 -0.126 0.000 2.867 289 R HA 0.416 4.756 4.340 -0.000 0.000 0.288 289 R C -2.027 174.131 176.300 -0.237 0.000 1.360 289 R CA -0.513 55.369 56.100 -0.364 0.000 1.042 289 R CB 0.912 30.887 30.300 -0.542 0.000 1.287 289 R HN 0.952 nan 8.270 nan 0.000 0.404 290 M N 4.760 124.301 119.600 -0.097 0.000 2.184 290 M HA 0.233 4.713 4.480 -0.000 0.000 0.351 290 M C -0.625 175.588 176.300 -0.146 0.000 1.395 290 M CA -0.013 55.269 55.300 -0.029 0.000 1.117 290 M CB 0.412 33.011 32.600 -0.002 0.000 1.708 290 M HN 0.370 nan 8.290 nan 0.000 0.468 291 Y N 1.033 121.279 120.300 -0.090 0.000 2.286 291 Y HA 0.313 4.863 4.550 -0.000 0.000 0.347 291 Y C 0.909 176.805 175.900 -0.006 0.000 1.351 291 Y CA -0.521 57.534 58.100 -0.075 0.000 1.640 291 Y CB 0.322 38.654 38.460 -0.213 0.000 1.560 291 Y HN 0.485 nan 8.280 nan 0.000 0.574 292 R N 2.379 123.026 120.500 0.244 0.000 2.488 292 R HA -0.051 4.289 4.340 -0.000 0.000 0.317 292 R C -0.648 175.645 176.300 -0.013 0.000 0.941 292 R CA 0.015 56.119 56.100 0.006 0.000 1.076 292 R CB -0.061 30.101 30.300 -0.231 0.000 0.917 292 R HN 0.601 nan 8.270 nan 0.000 0.407 293 K N 2.574 122.966 120.400 -0.014 0.000 2.339 293 K HA 0.091 4.411 4.320 -0.000 0.000 0.286 293 K C -0.192 176.451 176.600 0.071 0.000 1.050 293 K CA -0.391 55.923 56.287 0.044 0.000 0.956 293 K CB 0.991 33.508 32.500 0.028 0.000 0.990 293 K HN 0.493 nan 8.250 nan 0.000 0.475 294 S N 3.164 118.976 115.700 0.187 0.000 2.443 294 S HA -0.051 4.419 4.470 -0.000 0.000 0.284 294 S C 1.111 175.810 174.600 0.164 0.000 1.206 294 S CA -0.769 57.583 58.200 0.253 0.000 1.074 294 S CB 0.856 64.233 63.200 0.295 0.000 0.963 294 S HN 0.734 nan 8.310 nan 0.000 0.501 295 Q N 2.960 122.841 119.800 0.135 0.000 2.576 295 Q HA -0.128 4.212 4.340 -0.000 0.000 0.218 295 Q C 0.632 176.683 176.000 0.084 0.000 0.983 295 Q CA 1.491 57.350 55.803 0.093 0.000 0.920 295 Q CB -1.418 27.364 28.738 0.074 0.000 0.973 295 Q HN 0.789 nan 8.270 nan 0.000 0.528 296 T N -0.085 114.526 114.554 0.095 0.000 3.043 296 T HA 0.029 4.379 4.350 -0.000 0.000 0.263 296 T C 1.260 176.004 174.700 0.073 0.000 1.094 296 T CA 1.382 63.525 62.100 0.072 0.000 1.127 296 T CB 0.211 69.118 68.868 0.066 0.000 0.905 296 T HN 0.460 nan 8.240 nan 0.000 0.490 297 T N -0.895 113.718 114.554 0.100 0.000 3.176 297 T HA 0.469 4.818 4.350 -0.000 0.000 0.259 297 T C 1.736 176.519 174.700 0.138 0.000 0.978 297 T CA 0.361 62.527 62.100 0.110 0.000 1.050 297 T CB 0.298 69.243 68.868 0.128 0.000 1.136 297 T HN 0.383 nan 8.240 nan 0.000 0.465 298 G N 1.316 110.210 108.800 0.156 0.000 2.179 298 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 298 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 298 G C -0.090 174.917 174.900 0.178 0.000 0.990 298 G CA -0.298 44.886 45.100 0.140 0.000 0.646 298 G HN 0.482 nan 8.290 nan 0.000 0.517 299 F N 2.565 122.564 119.950 0.081 0.000 2.404 299 F HA 0.649 5.176 4.527 -0.000 0.000 0.339 299 F C -1.998 173.876 175.800 0.123 0.000 1.105 299 F CA -2.500 55.560 58.000 0.100 0.000 1.087 299 F CB 1.473 40.533 39.000 0.099 0.000 1.143 299 F HN -0.121 nan 8.300 nan 0.000 0.491 300 P HA -0.001 nan 4.420 nan 0.000 0.263 300 P C 0.066 177.445 177.300 0.133 0.000 1.195 300 P CA 0.389 63.423 63.100 -0.110 0.000 0.762 300 P CB 0.630 32.192 31.700 -0.230 0.000 0.799 301 S N 2.898 118.747 115.700 0.249 0.000 2.555 301 S HA 0.063 4.533 4.470 -0.000 0.000 0.230 301 S C 0.439 175.205 174.600 0.276 0.000 0.978 301 S CA 0.406 58.804 58.200 0.330 0.000 0.934 301 S CB -0.432 63.038 63.200 0.451 0.000 0.766 301 S HN 0.348 nan 8.310 nan 0.000 0.533 302 L N -1.115 120.228 121.223 0.199 0.000 2.582 302 L HA 0.565 4.905 4.340 -0.000 0.000 0.257 302 L C -0.338 176.632 176.870 0.167 0.000 0.974 302 L CA -0.411 54.476 54.840 0.079 0.000 0.851 302 L CB 1.592 43.480 42.059 -0.285 0.000 1.424 302 L HN 0.065 nan 8.230 nan 0.000 0.412 303 I N -0.111 120.548 120.570 0.148 0.000 4.338 303 I HA 0.093 4.263 4.170 -0.000 0.000 0.315 303 I C -0.140 176.106 176.117 0.214 0.000 1.262 303 I CA 0.399 61.806 61.300 0.179 0.000 1.298 303 I CB 0.770 38.823 38.000 0.088 0.000 1.257 303 I HN 0.748 nan 8.210 nan 0.000 0.444 304 T N 2.999 117.653 114.554 0.167 0.000 2.413 304 T HA -0.206 4.144 4.350 -0.000 0.000 0.516 304 T C -0.404 174.383 174.700 0.145 0.000 0.823 304 T CA 0.279 62.469 62.100 0.151 0.000 2.731 304 T CB -1.116 67.879 68.868 0.212 0.000 1.694 304 T HN 0.159 nan 8.240 nan 0.000 0.469 305 I N 3.297 123.940 120.570 0.123 0.000 2.353 305 I HA 0.710 4.880 4.170 -0.000 0.000 0.293 305 I C -0.440 175.786 176.117 0.183 0.000 0.992 305 I CA -0.755 60.627 61.300 0.137 0.000 1.268 305 I CB 0.843 38.885 38.000 0.070 0.000 1.387 305 I HN 0.481 nan 8.210 nan 0.000 0.478 306 F N 5.989 125.932 119.950 -0.011 0.000 2.499 306 F HA 0.405 4.932 4.527 -0.000 0.000 0.333 306 F C 0.472 176.230 175.800 -0.070 0.000 1.138 306 F CA -0.179 57.781 58.000 -0.067 0.000 0.945 306 F CB 1.746 40.673 39.000 -0.121 0.000 1.181 306 F HN 0.445 nan 8.300 nan 0.000 0.435 307 S N 4.018 119.473 115.700 -0.409 0.000 2.614 307 S HA 0.405 4.874 4.470 -0.000 0.000 0.230 307 S C 0.292 174.680 174.600 -0.354 0.000 0.952 307 S CA 0.068 58.126 58.200 -0.238 0.000 0.949 307 S CB 0.005 63.207 63.200 0.004 0.000 0.786 307 S HN 0.614 nan 8.310 nan 0.000 0.478 308 A N 3.762 126.136 122.820 -0.745 0.000 2.316 308 A HA 0.598 4.918 4.320 -0.000 0.000 0.324 308 A C -2.833 174.670 177.584 -0.136 0.000 1.375 308 A CA -1.849 49.928 52.037 -0.434 0.000 0.882 308 A CB 0.558 19.231 19.000 -0.546 0.000 1.152 308 A HN 0.087 nan 8.150 nan 0.000 0.512 309 P HA 0.148 nan 4.420 nan 0.000 0.285 309 P C -0.103 177.270 177.300 0.122 0.000 1.259 309 P CA -0.076 63.020 63.100 -0.007 0.000 0.794 309 P CB 0.728 32.366 31.700 -0.104 0.000 0.940 310 N N 1.544 120.342 118.700 0.164 0.000 2.714 310 N HA -0.266 4.474 4.740 -0.000 0.000 0.253 310 N C -0.921 174.729 175.510 0.233 0.000 1.024 310 N CA 0.335 53.504 53.050 0.198 0.000 0.726 310 N CB -2.148 36.433 38.487 0.156 0.000 0.908 310 N HN 0.392 nan 8.380 nan 0.000 0.542 311 Y N 1.683 122.032 120.300 0.082 0.000 2.810 311 Y HA 0.105 4.655 4.550 -0.000 0.000 0.332 311 Y C 1.304 177.121 175.900 -0.140 0.000 1.243 311 Y CA 1.063 59.127 58.100 -0.061 0.000 1.537 311 Y CB 0.062 38.422 38.460 -0.167 0.000 1.265 311 Y HN 0.328 nan 8.280 nan 0.000 0.572 312 L N 5.472 126.507 121.223 -0.313 0.000 3.843 312 L HA -0.397 3.943 4.340 -0.000 0.000 0.411 312 L C 0.450 177.264 176.870 -0.094 0.000 1.205 312 L CA 0.921 55.558 54.840 -0.340 0.000 0.945 312 L CB -1.452 40.259 42.059 -0.579 0.000 1.929 312 L HN 0.784 nan 8.230 nan 0.000 0.934 313 D N -2.121 118.290 120.400 0.018 0.000 3.070 313 D HA -0.202 4.438 4.640 -0.000 0.000 0.220 313 D C 0.970 177.331 176.300 0.103 0.000 1.176 313 D CA 1.244 55.303 54.000 0.098 0.000 0.924 313 D CB -0.843 40.005 40.800 0.080 0.000 1.124 313 D HN 0.415 nan 8.370 nan 0.000 0.411 314 V N -1.396 118.599 119.914 0.134 0.000 3.283 314 V HA 0.015 4.135 4.120 -0.000 0.000 0.265 314 V C 1.127 177.350 176.094 0.215 0.000 1.672 314 V CA -0.135 62.256 62.300 0.151 0.000 1.020 314 V CB 0.097 31.988 31.823 0.112 0.000 0.854 314 V HN 0.078 nan 8.190 nan 0.000 0.408 315 Y N 1.530 121.856 120.300 0.043 0.000 2.352 315 Y HA 0.051 4.601 4.550 -0.000 0.000 0.292 315 Y C 1.505 177.432 175.900 0.046 0.000 1.136 315 Y CA 0.804 58.938 58.100 0.057 0.000 1.227 315 Y CB -0.634 37.905 38.460 0.132 0.000 0.991 315 Y HN 0.497 nan 8.280 nan 0.000 0.545 316 N N 0.902 119.723 118.700 0.201 0.000 2.735 316 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 316 N C -0.911 174.659 175.510 0.100 0.000 1.083 316 N CA 0.363 53.482 53.050 0.115 0.000 0.703 316 N CB -1.206 37.318 38.487 0.061 0.000 1.005 316 N HN 0.451 nan 8.380 nan 0.000 0.550 317 N N 0.365 119.153 118.700 0.146 0.000 2.489 317 N HA 0.313 5.052 4.740 -0.000 0.000 0.284 317 N C -0.330 175.212 175.510 0.053 0.000 1.158 317 N CA -0.398 52.713 53.050 0.102 0.000 0.965 317 N CB 1.205 39.785 38.487 0.155 0.000 1.195 317 N HN -0.104 nan 8.380 nan 0.000 0.506 318 K N 0.117 120.520 120.400 0.006 0.000 2.109 318 K HA 0.608 4.927 4.320 -0.000 0.000 0.243 318 K C -0.354 176.158 176.600 -0.145 0.000 1.006 318 K CA -0.720 55.526 56.287 -0.067 0.000 0.917 318 K CB 1.110 33.591 32.500 -0.032 0.000 1.081 318 K HN 0.780 nan 8.250 nan 0.000 0.468 319 A N 0.087 122.636 122.820 -0.450 0.000 2.380 319 A HA 0.776 5.096 4.320 -0.000 0.000 0.315 319 A C -1.159 176.058 177.584 -0.612 0.000 1.101 319 A CA -0.632 51.023 52.037 -0.637 0.000 0.771 319 A CB 1.471 19.771 19.000 -1.167 0.000 1.287 319 A HN 0.652 nan 8.150 nan 0.000 0.436 320 A N 0.858 123.569 122.820 -0.181 0.000 2.393 320 A HA 0.714 5.034 4.320 -0.000 0.000 0.306 320 A C -0.773 176.931 177.584 0.201 0.000 1.050 320 A CA -0.515 51.572 52.037 0.083 0.000 0.724 320 A CB 1.340 20.423 19.000 0.138 0.000 1.248 320 A HN 1.646 nan 8.150 nan 0.000 0.424 321 V N 2.000 122.081 119.914 0.279 0.000 3.093 321 V HA 0.742 4.862 4.120 -0.000 0.000 0.320 321 V C -1.141 174.973 176.094 0.033 0.000 1.093 321 V CA -0.720 61.671 62.300 0.153 0.000 1.016 321 V CB 1.800 33.699 31.823 0.128 0.000 1.096 321 V HN 0.884 nan 8.190 nan 0.000 0.452 322 L N 4.515 125.719 121.223 -0.031 0.000 2.401 322 L HA 0.501 4.841 4.340 -0.000 0.000 0.263 322 L C -0.215 176.610 176.870 -0.075 0.000 1.004 322 L CA -0.040 54.763 54.840 -0.060 0.000 0.881 322 L CB 1.071 43.086 42.059 -0.074 0.000 1.219 322 L HN 0.563 nan 8.230 nan 0.000 0.441 323 K N 3.709 124.077 120.400 -0.054 0.000 2.174 323 K HA 0.354 4.673 4.320 -0.000 0.000 0.275 323 K C -1.491 175.138 176.600 0.048 0.000 1.015 323 K CA -0.577 55.682 56.287 -0.046 0.000 0.933 323 K CB 1.600 34.063 32.500 -0.061 0.000 1.025 323 K HN 0.435 nan 8.250 nan 0.000 0.463 324 Y N 2.552 122.787 120.300 -0.108 0.000 2.332 324 Y HA 0.163 4.713 4.550 -0.000 0.000 0.325 324 Y C -1.571 174.300 175.900 -0.049 0.000 1.054 324 Y CA -0.655 57.400 58.100 -0.076 0.000 1.119 324 Y CB 1.245 39.631 38.460 -0.124 0.000 1.168 324 Y HN 0.718 nan 8.280 nan 0.000 0.439 325 E N 4.703 124.588 120.200 -0.524 0.000 2.381 325 E HA 0.270 4.619 4.350 -0.000 0.000 0.286 325 E C -1.165 175.214 176.600 -0.367 0.000 0.960 325 E CA -1.012 55.104 56.400 -0.473 0.000 0.793 325 E CB 1.239 30.801 29.700 -0.231 0.000 1.225 325 E HN 0.678 nan 8.360 nan 0.000 0.420 326 N N 2.114 120.618 118.700 -0.327 0.000 2.738 326 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 326 N C -0.570 174.860 175.510 -0.133 0.000 1.047 326 N CA 1.154 54.094 53.050 -0.182 0.000 0.707 326 N CB -1.398 37.023 38.487 -0.109 0.000 0.937 326 N HN 0.942 nan 8.380 nan 0.000 0.545 327 N N -2.595 116.002 118.700 -0.171 0.000 2.815 327 N HA -0.199 4.541 4.740 -0.000 0.000 0.247 327 N C -0.772 174.821 175.510 0.138 0.000 1.030 327 N CA 1.453 54.518 53.050 0.025 0.000 0.881 327 N CB -0.481 38.023 38.487 0.029 0.000 1.134 327 N HN 0.321 nan 8.380 nan 0.000 0.582 328 V N 0.472 120.437 119.914 0.084 0.000 2.513 328 V HA 0.546 4.666 4.120 -0.000 0.000 0.299 328 V C 0.151 176.411 176.094 0.277 0.000 1.035 328 V CA -0.635 61.769 62.300 0.173 0.000 0.889 328 V CB 1.788 33.657 31.823 0.077 0.000 0.988 328 V HN 0.120 nan 8.190 nan 0.000 0.440 329 M N 5.158 124.975 119.600 0.362 0.000 2.063 329 M HA 0.407 4.887 4.480 -0.000 0.000 0.348 329 M C -0.310 176.068 176.300 0.130 0.000 1.180 329 M CA -0.083 55.412 55.300 0.326 0.000 1.059 329 M CB 0.133 32.979 32.600 0.409 0.000 1.544 329 M HN 0.626 nan 8.290 nan 0.000 0.447 330 N N 6.816 125.558 118.700 0.070 0.000 2.426 330 N HA 0.318 5.057 4.740 -0.000 0.000 0.257 330 N C -0.980 174.497 175.510 -0.056 0.000 1.002 330 N CA -0.141 52.906 53.050 -0.004 0.000 0.942 330 N CB 1.102 39.584 38.487 -0.008 0.000 1.112 330 N HN 0.665 nan 8.380 nan 0.000 0.499 331 I N 3.210 123.705 120.570 -0.126 0.000 2.276 331 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 331 I C 0.484 176.514 176.117 -0.145 0.000 1.109 331 I CA -0.581 60.591 61.300 -0.212 0.000 1.229 331 I CB 0.071 37.758 38.000 -0.522 0.000 1.452 331 I HN 0.124 nan 8.210 nan 0.000 0.497 332 R N 4.568 125.043 120.500 -0.043 0.000 2.539 332 R HA 0.352 4.692 4.340 -0.000 0.000 0.275 332 R C -0.300 176.070 176.300 0.117 0.000 1.077 332 R CA -0.162 55.958 56.100 0.034 0.000 1.097 332 R CB 1.057 31.388 30.300 0.051 0.000 1.018 332 R HN 0.598 nan 8.270 nan 0.000 0.483 333 Q N 1.915 121.808 119.800 0.155 0.000 2.375 333 Q HA 0.544 4.883 4.340 -0.000 0.000 0.271 333 Q C -1.522 174.659 176.000 0.302 0.000 1.074 333 Q CA -0.737 55.177 55.803 0.186 0.000 0.808 333 Q CB 1.616 30.420 28.738 0.111 0.000 1.327 333 Q HN 0.466 nan 8.270 nan 0.000 0.441 334 F N -0.152 119.824 119.950 0.044 0.000 2.619 334 F HA 0.567 5.094 4.527 -0.000 0.000 0.308 334 F C -1.091 174.741 175.800 0.053 0.000 1.097 334 F CA -1.028 56.996 58.000 0.039 0.000 0.953 334 F CB 1.014 40.029 39.000 0.024 0.000 1.287 334 F HN 0.460 nan 8.300 nan 0.000 0.446 335 N N -0.105 118.691 118.700 0.160 0.000 2.495 335 N HA 0.616 5.356 4.740 -0.000 0.000 0.294 335 N C -0.750 174.843 175.510 0.137 0.000 1.276 335 N CA -0.435 52.661 53.050 0.077 0.000 0.973 335 N CB 0.844 39.383 38.487 0.087 0.000 1.143 335 N HN 0.925 nan 8.380 nan 0.000 0.589 336 C N -0.658 118.709 119.300 0.111 0.000 2.656 336 C HA 0.667 5.126 4.460 -0.000 0.000 0.391 336 C C -0.082 174.998 174.990 0.150 0.000 1.300 336 C CA -0.921 58.184 59.018 0.145 0.000 2.302 336 C CB -0.057 27.764 27.740 0.135 0.000 2.655 336 C HN 0.412 nan 8.230 nan 0.000 0.656 337 S N 1.893 117.696 115.700 0.173 0.000 2.542 337 S HA 0.680 5.150 4.470 -0.000 0.000 0.293 337 S C -2.750 171.922 174.600 0.121 0.000 1.089 337 S CA -0.548 57.736 58.200 0.140 0.000 0.961 337 S CB 1.330 64.626 63.200 0.161 0.000 1.062 337 S HN 0.743 nan 8.310 nan 0.000 0.483 338 P HA 0.332 nan 4.420 nan 0.000 0.269 338 P C -0.917 176.246 177.300 -0.228 0.000 1.209 338 P CA 0.050 63.087 63.100 -0.104 0.000 0.776 338 P CB 0.160 31.783 31.700 -0.128 0.000 0.876 339 H N -0.865 118.000 119.070 -0.342 0.000 2.996 339 H HA 0.652 5.208 4.556 -0.000 0.000 0.368 339 H C -2.921 172.190 175.328 -0.363 0.000 1.185 339 H CA -2.465 53.150 56.048 -0.722 0.000 1.160 339 H CB -0.292 29.321 29.762 -0.249 0.000 1.820 339 H HN 0.138 nan 8.280 nan 0.000 0.547 340 P HA 0.048 nan 4.420 nan 0.000 0.271 340 P C -0.995 176.458 177.300 0.254 0.000 1.233 340 P CA -0.152 62.932 63.100 -0.027 0.000 0.789 340 P CB 0.400 32.099 31.700 -0.003 0.000 0.951 341 Y N 0.077 120.325 120.300 -0.086 0.000 2.307 341 Y HA 0.464 5.014 4.550 -0.000 0.000 0.324 341 Y C -0.456 175.338 175.900 -0.177 0.000 1.238 341 Y CA 0.259 58.300 58.100 -0.100 0.000 1.280 341 Y CB 0.794 39.136 38.460 -0.197 0.000 1.248 341 Y HN 0.402 nan 8.280 nan 0.000 0.508 342 W N 4.876 125.878 121.300 -0.497 0.000 3.256 342 W HA 0.502 5.162 4.660 -0.000 0.000 0.324 342 W C -1.600 174.521 176.519 -0.663 0.000 1.196 342 W CA -0.756 56.311 57.345 -0.464 0.000 1.206 342 W CB 1.353 30.484 29.460 -0.549 0.000 1.385 342 W HN 0.271 nan 8.180 nan 0.000 0.522 343 L N 5.310 126.473 121.223 -0.100 0.000 2.436 343 L HA 0.334 4.674 4.340 -0.000 0.000 0.265 343 L C -1.575 175.184 176.870 -0.185 0.000 1.168 343 L CA -1.729 52.950 54.840 -0.269 0.000 0.815 343 L CB 0.397 42.236 42.059 -0.366 0.000 1.109 343 L HN 0.029 nan 8.230 nan 0.000 0.462 344 P HA -0.107 nan 4.420 nan 0.000 0.262 344 P C -0.219 177.132 177.300 0.086 0.000 1.182 344 P CA 0.318 63.418 63.100 -0.000 0.000 0.761 344 P CB 0.355 32.054 31.700 -0.002 0.000 0.795 345 N N 2.665 121.457 118.700 0.153 0.000 2.747 345 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 345 N C -0.446 175.120 175.510 0.094 0.000 1.107 345 N CA 0.746 53.822 53.050 0.043 0.000 0.707 345 N CB -2.104 36.405 38.487 0.038 0.000 1.054 345 N HN 0.399 nan 8.380 nan 0.000 0.555 346 F N -3.469 116.414 119.950 -0.111 0.000 3.100 346 F HA -0.361 4.166 4.527 -0.000 0.000 0.284 346 F C 1.206 177.018 175.800 0.019 0.000 0.875 346 F CA 1.395 59.272 58.000 -0.205 0.000 1.039 346 F CB -2.249 36.417 39.000 -0.556 0.000 1.111 346 F HN 0.416 nan 8.300 nan 0.000 0.575 347 M N 0.514 120.198 119.600 0.140 0.000 2.241 347 M HA 0.360 4.840 4.480 -0.000 0.000 0.335 347 M C 0.522 176.905 176.300 0.138 0.000 1.122 347 M CA -0.382 55.002 55.300 0.140 0.000 1.164 347 M CB 0.788 33.460 32.600 0.119 0.000 1.459 347 M HN 0.206 nan 8.290 nan 0.000 0.461 348 D N 2.150 122.638 120.400 0.147 0.000 2.354 348 D HA 0.109 4.748 4.640 -0.000 0.000 0.247 348 D C 1.242 177.590 176.300 0.081 0.000 1.138 348 D CA -0.509 53.551 54.000 0.099 0.000 0.958 348 D CB 1.567 42.454 40.800 0.145 0.000 1.144 348 D HN 0.705 nan 8.370 nan 0.000 0.458 349 V N -1.583 118.303 119.914 -0.046 0.000 2.867 349 V HA -0.180 3.940 4.120 -0.000 0.000 0.260 349 V C 1.608 177.787 176.094 0.142 0.000 1.099 349 V CA 0.969 63.315 62.300 0.077 0.000 1.122 349 V CB -1.140 30.635 31.823 -0.081 0.000 0.708 349 V HN 0.429 nan 8.190 nan 0.000 0.490 350 F N 1.686 121.767 119.950 0.219 0.000 2.270 350 F HA 0.081 4.608 4.527 -0.000 0.000 0.295 350 F C 2.608 178.508 175.800 0.167 0.000 1.087 350 F CA 1.616 59.717 58.000 0.167 0.000 1.365 350 F CB -1.303 37.767 39.000 0.117 0.000 1.056 350 F HN 0.112 nan 8.300 nan 0.000 0.506 351 T N -1.374 113.395 114.554 0.358 0.000 3.055 351 T HA -0.174 4.175 4.350 -0.000 0.000 0.265 351 T C 1.511 176.384 174.700 0.287 0.000 1.111 351 T CA 0.875 63.134 62.100 0.264 0.000 1.118 351 T CB -0.379 68.617 68.868 0.212 0.000 0.909 351 T HN 0.503 nan 8.240 nan 0.000 0.501 352 W N 1.446 122.801 121.300 0.092 0.000 2.539 352 W HA 0.166 4.826 4.660 -0.000 0.000 0.281 352 W C 2.103 178.661 176.519 0.064 0.000 1.220 352 W CA 0.337 57.715 57.345 0.057 0.000 1.332 352 W CB -0.078 29.400 29.460 0.030 0.000 1.095 352 W HN 0.012 nan 8.180 nan 0.000 0.571 353 S N 0.859 116.630 115.700 0.119 0.000 2.439 353 S HA -0.003 4.467 4.470 -0.000 0.000 0.224 353 S C 1.868 176.499 174.600 0.051 0.000 1.029 353 S CA 0.851 59.001 58.200 -0.083 0.000 0.946 353 S CB -0.445 62.760 63.200 0.007 0.000 0.797 353 S HN 0.194 nan 8.310 nan 0.000 0.504 354 L N 1.465 122.767 121.223 0.132 0.000 2.127 354 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 354 L C -0.916 176.003 176.870 0.083 0.000 1.089 354 L CA 1.346 56.254 54.840 0.113 0.000 0.757 354 L CB -1.643 40.489 42.059 0.121 0.000 0.899 354 L HN 0.236 nan 8.230 nan 0.000 0.434 355 P HA -0.168 nan 4.420 nan 0.000 0.219 355 P C 1.443 178.811 177.300 0.113 0.000 1.150 355 P CA 1.162 64.311 63.100 0.080 0.000 0.814 355 P CB 0.035 31.781 31.700 0.076 0.000 0.787 356 F N -0.379 119.515 119.950 -0.092 0.000 2.234 356 F HA -0.081 4.446 4.527 -0.000 0.000 0.296 356 F C 2.018 177.768 175.800 -0.083 0.000 1.089 356 F CA 0.939 58.872 58.000 -0.112 0.000 1.343 356 F CB -0.708 38.172 39.000 -0.200 0.000 1.040 356 F HN -0.330 nan 8.300 nan 0.000 0.498 357 V N -0.008 119.943 119.914 0.061 0.000 2.295 357 V HA -0.220 3.899 4.120 -0.000 0.000 0.246 357 V C 2.740 178.803 176.094 -0.051 0.000 1.049 357 V CA 2.003 64.294 62.300 -0.015 0.000 1.024 357 V CB -1.528 30.322 31.823 0.045 0.000 0.648 357 V HN 0.483 nan 8.190 nan 0.000 0.447 358 G N -0.397 108.393 108.800 -0.017 0.000 2.440 358 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.218 358 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.218 358 G C 1.503 176.368 174.900 -0.058 0.000 1.154 358 G CA 1.286 46.371 45.100 -0.024 0.000 0.767 358 G HN 0.549 nan 8.290 nan 0.000 0.552 359 E N 0.769 120.918 120.200 -0.085 0.000 2.016 359 E HA -0.055 4.294 4.350 -0.000 0.000 0.190 359 E C 2.394 178.879 176.600 -0.191 0.000 0.985 359 E CA 1.021 57.347 56.400 -0.123 0.000 0.802 359 E CB -0.217 29.412 29.700 -0.118 0.000 0.762 359 E HN 0.098 nan 8.360 nan 0.000 0.448 360 K N 0.069 120.274 120.400 -0.325 0.000 2.360 360 K HA -0.061 4.259 4.320 -0.000 0.000 0.201 360 K C 1.982 178.468 176.600 -0.190 0.000 1.046 360 K CA 0.879 56.964 56.287 -0.336 0.000 0.940 360 K CB -0.249 31.942 32.500 -0.515 0.000 0.748 360 K HN 0.163 nan 8.250 nan 0.000 0.465 361 V N 0.046 119.876 119.914 -0.139 0.000 2.575 361 V HA -0.098 4.022 4.120 -0.000 0.000 0.242 361 V C 2.081 178.132 176.094 -0.071 0.000 1.045 361 V CA 1.430 63.678 62.300 -0.087 0.000 1.065 361 V CB -0.330 31.456 31.823 -0.062 0.000 0.717 361 V HN 0.223 nan 8.190 nan 0.000 0.467 362 T N 1.267 115.779 114.554 -0.070 0.000 2.746 362 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 362 T C 1.711 176.378 174.700 -0.055 0.000 1.039 362 T CA 1.952 64.020 62.100 -0.053 0.000 1.142 362 T CB -0.244 68.597 68.868 -0.045 0.000 0.866 362 T HN 0.817 nan 8.240 nan 0.000 0.444 363 E N 0.678 120.834 120.200 -0.073 0.000 2.478 363 E HA 0.071 4.420 4.350 -0.000 0.000 0.198 363 E C 1.996 178.558 176.600 -0.063 0.000 1.046 363 E CA 0.534 56.894 56.400 -0.068 0.000 0.870 363 E CB -0.250 29.401 29.700 -0.082 0.000 0.818 363 E HN 0.415 nan 8.360 nan 0.000 0.527 364 M N 0.169 119.730 119.600 -0.066 0.000 2.357 364 M HA 0.100 4.580 4.480 -0.000 0.000 0.266 364 M C 1.525 177.800 176.300 -0.040 0.000 1.095 364 M CA 0.953 56.220 55.300 -0.055 0.000 1.156 364 M CB 0.237 32.803 32.600 -0.057 0.000 1.365 364 M HN 0.269 nan 8.290 nan 0.000 0.447 365 L N -1.188 120.012 121.223 -0.039 0.000 2.307 365 L HA -0.019 4.321 4.340 -0.000 0.000 0.211 365 L C 2.111 178.965 176.870 -0.026 0.000 1.099 365 L CA 0.196 55.018 54.840 -0.029 0.000 0.816 365 L CB -0.246 41.797 42.059 -0.027 0.000 0.952 365 L HN 0.122 nan 8.230 nan 0.000 0.455 366 V N -0.007 119.890 119.914 -0.029 0.000 3.406 366 V HA -0.038 4.081 4.120 -0.000 0.000 0.263 366 V C 0.906 176.986 176.094 -0.023 0.000 1.172 366 V CA 1.154 63.439 62.300 -0.024 0.000 1.140 366 V CB -0.266 31.543 31.823 -0.024 0.000 0.784 366 V HN 0.436 nan 8.190 nan 0.000 0.467 367 N N -1.535 117.150 118.700 -0.026 0.000 2.273 367 N HA 0.198 4.938 4.740 -0.000 0.000 0.231 367 N C 0.531 176.028 175.510 -0.021 0.000 1.134 367 N CA 0.225 53.261 53.050 -0.024 0.000 0.856 367 N CB 1.471 39.941 38.487 -0.028 0.000 1.068 367 N HN 0.240 nan 8.380 nan 0.000 0.510 368 V N -0.583 119.319 119.914 -0.020 0.000 3.480 368 V HA 0.248 4.368 4.120 -0.000 0.000 0.263 368 V C 1.044 177.129 176.094 -0.015 0.000 1.442 368 V CA 0.339 62.628 62.300 -0.017 0.000 1.053 368 V CB 0.342 32.154 31.823 -0.019 0.000 0.846 368 V HN 0.223 nan 8.190 nan 0.000 0.440 369 L N -0.170 121.044 121.223 -0.015 0.000 2.357 369 L HA 0.262 4.601 4.340 -0.000 0.000 0.211 369 L C 0.945 177.808 176.870 -0.011 0.000 1.075 369 L CA 0.547 55.379 54.840 -0.012 0.000 0.830 369 L CB -0.166 41.885 42.059 -0.013 0.000 0.996 369 L HN 0.269 nan 8.230 nan 0.000 0.467 370 N N 0.730 119.422 118.700 -0.012 0.000 2.455 370 N HA 0.138 4.877 4.740 -0.000 0.000 0.258 370 N C 0.794 176.298 175.510 -0.011 0.000 1.158 370 N CA 0.166 53.210 53.050 -0.011 0.000 0.893 370 N CB 0.246 38.726 38.487 -0.012 0.000 1.173 370 N HN 0.386 nan 8.380 nan 0.000 0.503 371 I N -4.620 115.944 120.570 -0.010 0.000 4.025 371 I HA 0.423 4.593 4.170 -0.000 0.000 0.336 371 I C 0.342 176.454 176.117 -0.008 0.000 1.390 371 I CA -0.430 60.865 61.300 -0.010 0.000 1.099 371 I CB 0.118 38.112 38.000 -0.011 0.000 1.049 371 I HN -0.103 nan 8.210 nan 0.000 0.394 372 C N 0.000 119.295 119.300 -0.008 0.000 2.653 372 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 372 C CA 0.000 59.014 59.018 -0.007 0.000 1.963 372 C CB 0.000 27.736 27.740 -0.007 0.000 2.134 372 C HN 0.000 nan 8.230 nan 0.000 0.568