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 2jd2_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV DSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LEVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 11 G C 0.000 174.885 174.900 -0.026 0.000 0.946 11 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 12 R N 0.135 120.620 120.500 -0.026 0.000 2.707 12 R HA 0.575 4.913 4.340 -0.004 0.000 0.270 12 R C -0.597 175.713 176.300 0.016 0.000 1.083 12 R CA -0.431 55.647 56.100 -0.037 0.000 1.182 12 R CB 0.842 31.122 30.300 -0.032 0.000 1.084 12 R HN 0.089 nan 8.270 nan 0.000 0.528 13 L N 2.055 123.311 121.223 0.055 0.000 2.305 13 L HA 0.370 4.707 4.340 -0.004 0.000 0.281 13 L C 0.502 177.467 176.870 0.158 0.000 1.085 13 L CA -0.577 54.343 54.840 0.134 0.000 0.813 13 L CB 1.029 43.228 42.059 0.232 0.000 1.157 13 L HN 0.505 nan 8.230 nan 0.000 0.436 14 R N 2.658 123.219 120.500 0.102 0.000 2.248 14 R HA 0.415 4.753 4.340 -0.004 0.000 0.328 14 R C -1.000 175.342 176.300 0.070 0.000 1.067 14 R CA -0.394 55.754 56.100 0.080 0.000 0.924 14 R CB 1.013 31.345 30.300 0.052 0.000 1.013 14 R HN 0.329 nan 8.270 nan 0.000 0.454 15 V N 4.386 124.336 119.914 0.060 0.000 2.448 15 V HA 0.274 4.392 4.120 -0.004 0.000 0.295 15 V C 0.000 176.096 176.094 0.003 0.000 1.025 15 V CA -0.905 61.408 62.300 0.021 0.000 0.859 15 V CB 1.902 33.716 31.823 -0.015 0.000 0.988 15 V HN 0.427 nan 8.190 nan 0.000 0.431 16 V N 5.594 125.501 119.914 -0.011 0.000 2.407 16 V HA 0.378 4.495 4.120 -0.004 0.000 0.278 16 V C -0.033 176.041 176.094 -0.033 0.000 1.037 16 V CA -0.420 61.868 62.300 -0.020 0.000 0.900 16 V CB 1.850 33.656 31.823 -0.029 0.000 0.983 16 V HN 0.640 nan 8.190 nan 0.000 0.459 17 V N 7.135 127.031 119.914 -0.030 0.000 2.347 17 V HA 0.436 4.554 4.120 -0.004 0.000 0.280 17 V C -0.146 175.929 176.094 -0.030 0.000 1.021 17 V CA -0.420 61.858 62.300 -0.037 0.000 0.847 17 V CB 1.274 33.075 31.823 -0.036 0.000 0.990 17 V HN 0.613 nan 8.190 nan 0.000 0.444 18 L N 4.160 125.361 121.223 -0.037 0.000 2.282 18 L HA 0.757 5.095 4.340 -0.004 0.000 0.288 18 L C 1.037 177.891 176.870 -0.027 0.000 1.033 18 L CA -0.386 54.435 54.840 -0.031 0.000 0.807 18 L CB 1.424 43.459 42.059 -0.040 0.000 1.209 18 L HN 0.864 nan 8.230 nan 0.000 0.423 19 G N 1.550 110.341 108.800 -0.014 0.000 2.248 19 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.263 19 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.263 19 G C 0.805 175.699 174.900 -0.011 0.000 1.082 19 G CA 0.394 45.490 45.100 -0.008 0.000 0.863 19 G HN 0.817 nan 8.290 nan 0.000 0.495 20 S N -1.212 114.484 115.700 -0.006 0.000 2.447 20 S HA -0.079 4.389 4.470 -0.004 0.000 0.233 20 S C 2.219 176.811 174.600 -0.014 0.000 1.006 20 S CA 2.068 60.262 58.200 -0.011 0.000 0.957 20 S CB -0.314 62.885 63.200 -0.002 0.000 0.773 20 S HN 1.509 nan 8.310 nan 0.000 0.507 21 T N -1.848 112.702 114.554 -0.006 0.000 3.060 21 T HA 0.412 4.759 4.350 -0.004 0.000 0.249 21 T C 1.065 175.709 174.700 -0.093 0.000 1.079 21 T CA 0.150 62.234 62.100 -0.027 0.000 1.013 21 T CB -0.241 68.646 68.868 0.032 0.000 0.975 21 T HN 0.431 nan 8.240 nan 0.000 0.518 22 G N 0.604 109.367 108.800 -0.062 0.000 2.588 22 G HA2 0.354 4.312 3.960 -0.004 0.000 0.278 22 G HA3 0.354 4.312 3.960 -0.004 0.000 0.278 22 G C 1.002 175.861 174.900 -0.068 0.000 1.307 22 G CA -0.001 45.053 45.100 -0.077 0.000 1.016 22 G HN 0.171 nan 8.290 nan 0.000 0.503 23 S N -1.238 114.428 115.700 -0.056 0.000 2.368 23 S HA -0.129 4.339 4.470 -0.004 0.000 0.225 23 S C 2.326 176.908 174.600 -0.030 0.000 1.030 23 S CA 0.916 59.094 58.200 -0.036 0.000 0.999 23 S CB -0.309 62.880 63.200 -0.017 0.000 0.844 23 S HN 0.378 nan 8.310 nan 0.000 0.459 24 I N 1.580 122.126 120.570 -0.039 0.000 2.286 24 I HA -0.025 4.143 4.170 -0.004 0.000 0.245 24 I C 2.763 178.853 176.117 -0.045 0.000 1.104 24 I CA 1.384 62.657 61.300 -0.045 0.000 1.397 24 I CB -2.097 35.867 38.000 -0.060 0.000 1.072 24 I HN 0.430 nan 8.210 nan 0.000 0.417 25 G N 1.120 109.894 108.800 -0.044 0.000 2.440 25 G HA2 -0.315 3.642 3.960 -0.004 0.000 0.218 25 G HA3 -0.315 3.642 3.960 -0.004 0.000 0.218 25 G C 1.743 176.621 174.900 -0.036 0.000 1.154 25 G CA 1.884 46.959 45.100 -0.041 0.000 0.767 25 G HN 0.486 nan 8.290 nan 0.000 0.552 26 T N -1.412 113.122 114.554 -0.033 0.000 2.812 26 T HA -0.058 4.289 4.350 -0.004 0.000 0.264 26 T C 2.266 176.955 174.700 -0.019 0.000 1.042 26 T CA 1.529 63.614 62.100 -0.026 0.000 1.140 26 T CB -0.341 68.510 68.868 -0.029 0.000 0.870 26 T HN 0.413 nan 8.240 nan 0.000 0.445 27 Q N 1.088 120.877 119.800 -0.018 0.000 2.119 27 Q HA 0.093 4.431 4.340 -0.004 0.000 0.201 27 Q C 2.835 178.820 176.000 -0.025 0.000 0.972 27 Q CA 1.345 57.142 55.803 -0.010 0.000 0.847 27 Q CB -0.492 28.247 28.738 0.002 0.000 0.903 27 Q HN 0.728 nan 8.270 nan 0.000 0.433 28 A N 1.240 124.032 122.820 -0.046 0.000 1.908 28 A HA -0.179 4.139 4.320 -0.004 0.000 0.218 28 A C 2.080 179.620 177.584 -0.074 0.000 1.181 28 A CA 1.160 53.149 52.037 -0.081 0.000 0.627 28 A CB -0.736 18.208 19.000 -0.093 0.000 0.818 28 A HN 0.294 nan 8.150 nan 0.000 0.445 29 L N -0.931 120.266 121.223 -0.043 0.000 2.083 29 L HA -0.258 4.079 4.340 -0.004 0.000 0.209 29 L C 2.896 179.764 176.870 -0.003 0.000 1.083 29 L CA 1.601 56.428 54.840 -0.022 0.000 0.752 29 L CB -0.684 41.368 42.059 -0.011 0.000 0.899 29 L HN 0.549 nan 8.230 nan 0.000 0.433 30 Q N -0.630 119.169 119.800 -0.001 0.000 2.050 30 Q HA -0.179 4.158 4.340 -0.004 0.000 0.202 30 Q C 2.347 178.364 176.000 0.029 0.000 0.980 30 Q CA 1.483 57.295 55.803 0.015 0.000 0.840 30 Q CB -0.191 28.556 28.738 0.014 0.000 0.898 30 Q HN 0.340 nan 8.270 nan 0.000 0.424 31 V N 1.067 120.990 119.914 0.015 0.000 2.332 31 V HA -0.279 3.838 4.120 -0.004 0.000 0.248 31 V C 2.126 178.283 176.094 0.105 0.000 1.055 31 V CA 1.700 64.025 62.300 0.041 0.000 1.038 31 V CB -0.481 31.329 31.823 -0.021 0.000 0.651 31 V HN 0.337 nan 8.190 nan 0.000 0.450 32 I N 0.338 120.936 120.570 0.046 0.000 2.202 32 I HA -0.198 3.969 4.170 -0.004 0.000 0.242 32 I C 2.665 178.873 176.117 0.152 0.000 1.091 32 I CA 1.435 62.821 61.300 0.143 0.000 1.368 32 I CB -0.612 37.411 38.000 0.037 0.000 1.058 32 I HN 0.265 nan 8.210 nan 0.000 0.410 33 A N 0.431 123.302 122.820 0.085 0.000 1.940 33 A HA -0.246 4.071 4.320 -0.004 0.000 0.219 33 A C 1.887 179.514 177.584 0.071 0.000 1.176 33 A CA 2.129 54.207 52.037 0.068 0.000 0.631 33 A CB -0.607 18.419 19.000 0.044 0.000 0.814 33 A HN 0.345 nan 8.150 nan 0.000 0.446 34 D N 0.096 120.544 120.400 0.080 0.000 2.264 34 D HA -0.038 4.599 4.640 -0.004 0.000 0.208 34 D C 0.174 176.526 176.300 0.086 0.000 0.966 34 D CA 0.764 54.809 54.000 0.075 0.000 0.864 34 D CB -0.121 40.723 40.800 0.074 0.000 0.933 34 D HN 0.439 nan 8.370 nan 0.000 0.499 35 N N 0.404 119.184 118.700 0.133 0.000 2.679 35 N HA 0.093 4.831 4.740 -0.004 0.000 0.302 35 N C -2.112 173.442 175.510 0.073 0.000 1.941 35 N CA -0.788 52.326 53.050 0.107 0.000 0.875 35 N CB 1.944 40.532 38.487 0.168 0.000 1.278 35 N HN 0.104 nan 8.380 nan 0.000 0.490 36 P HA -0.124 nan 4.420 nan 0.000 0.225 36 P C 0.784 178.079 177.300 -0.009 0.000 1.148 36 P CA 1.088 64.214 63.100 0.043 0.000 0.779 36 P CB 0.285 32.007 31.700 0.035 0.000 0.780 37 D N -0.511 119.862 120.400 -0.045 0.000 2.178 37 D HA -0.175 4.463 4.640 -0.004 0.000 0.201 37 D C 1.920 178.124 176.300 -0.160 0.000 0.980 37 D CA 0.829 54.780 54.000 -0.082 0.000 0.842 37 D CB -0.250 40.503 40.800 -0.079 0.000 0.948 37 D HN 0.092 nan 8.370 nan 0.000 0.472 38 R N -0.567 119.752 120.500 -0.302 0.000 2.287 38 R HA 0.258 4.596 4.340 -0.004 0.000 0.197 38 R C -0.133 175.786 176.300 -0.636 0.000 0.900 38 R CA 0.057 55.801 56.100 -0.593 0.000 1.052 38 R CB 0.492 30.189 30.300 -1.005 0.000 1.117 38 R HN 0.158 nan 8.270 nan 0.000 0.568 39 F N 0.608 120.567 119.950 0.015 0.000 2.577 39 F HA 0.363 4.889 4.527 -0.002 0.000 0.318 39 F C -0.231 175.577 175.800 0.014 0.000 1.065 39 F CA -1.115 56.895 58.000 0.016 0.000 0.929 39 F CB 2.049 41.060 39.000 0.019 0.000 1.237 39 F HN -0.137 nan 8.300 nan 0.000 0.468 40 E N 0.343 120.675 120.200 0.218 0.000 2.290 40 E HA 0.557 4.905 4.350 -0.004 0.000 0.274 40 E C -1.898 174.758 176.600 0.094 0.000 0.889 40 E CA -1.019 55.457 56.400 0.126 0.000 0.760 40 E CB 2.090 31.838 29.700 0.081 0.000 1.206 40 E HN 0.341 nan 8.360 nan 0.000 0.419 41 V N 3.404 123.358 119.914 0.067 0.000 2.521 41 V HA 0.057 4.175 4.120 -0.004 0.000 0.286 41 V C 1.045 177.163 176.094 0.039 0.000 1.034 41 V CA 0.129 62.453 62.300 0.040 0.000 1.045 41 V CB 0.826 32.666 31.823 0.028 0.000 0.974 41 V HN 0.750 nan 8.190 nan 0.000 0.480 42 V N 1.198 121.131 119.914 0.033 0.000 3.432 42 V HA 0.744 4.862 4.120 -0.004 0.000 0.298 42 V C 0.613 176.727 176.094 0.033 0.000 1.464 42 V CA 0.522 62.843 62.300 0.034 0.000 1.046 42 V CB 0.212 32.055 31.823 0.034 0.000 0.887 42 V HN 0.991 nan 8.190 nan 0.000 0.441 43 G N 0.423 109.238 108.800 0.025 0.000 2.733 43 G HA2 0.644 4.601 3.960 -0.004 0.000 0.297 43 G HA3 0.644 4.601 3.960 -0.004 0.000 0.297 43 G C -1.839 173.070 174.900 0.015 0.000 1.452 43 G CA -0.689 44.426 45.100 0.025 0.000 0.940 43 G HN 0.211 nan 8.290 nan 0.000 0.547 44 L N 0.697 121.936 121.223 0.027 0.000 2.408 44 L HA 0.875 5.212 4.340 -0.004 0.000 0.268 44 L C 0.153 177.038 176.870 0.025 0.000 0.986 44 L CA -1.019 53.833 54.840 0.020 0.000 0.820 44 L CB 2.409 44.485 42.059 0.027 0.000 1.303 44 L HN 0.824 nan 8.230 nan 0.000 0.411 45 A N 2.145 124.972 122.820 0.012 0.000 2.393 45 A HA 0.990 5.307 4.320 -0.004 0.000 0.306 45 A C -1.018 176.579 177.584 0.020 0.000 1.050 45 A CA -0.297 51.751 52.037 0.017 0.000 0.724 45 A CB 1.901 20.897 19.000 -0.007 0.000 1.248 45 A HN 0.824 nan 8.150 nan 0.000 0.424 46 A N 0.574 123.415 122.820 0.034 0.000 2.594 46 A HA 0.728 5.046 4.320 -0.004 0.000 0.291 46 A C 0.853 178.463 177.584 0.043 0.000 1.105 46 A CA -0.005 52.056 52.037 0.041 0.000 0.694 46 A CB 0.806 19.836 19.000 0.050 0.000 1.291 46 A HN 1.811 nan 8.150 nan 0.000 0.410 47 G N -0.305 108.523 108.800 0.046 0.000 2.403 47 G HA2 0.373 4.331 3.960 -0.004 0.000 0.216 47 G HA3 0.373 4.331 3.960 -0.004 0.000 0.216 47 G C 1.250 176.164 174.900 0.023 0.000 1.154 47 G CA 1.224 46.345 45.100 0.035 0.000 0.784 47 G HN 2.487 nan 8.290 nan 0.000 0.538 48 G N -1.330 107.482 108.800 0.020 0.000 2.168 48 G HA2 0.091 4.048 3.960 -0.004 0.000 0.197 48 G HA3 0.091 4.048 3.960 -0.004 0.000 0.197 48 G C 1.052 175.913 174.900 -0.064 0.000 0.997 48 G CA 0.898 45.993 45.100 -0.009 0.000 0.658 48 G HN 1.174 nan 8.290 nan 0.000 0.513 49 A N -0.465 122.291 122.820 -0.106 0.000 2.132 49 A HA 0.483 4.801 4.320 -0.004 0.000 0.213 49 A C 0.921 178.203 177.584 -0.503 0.000 1.154 49 A CA 1.432 53.289 52.037 -0.300 0.000 0.753 49 A CB -0.042 18.738 19.000 -0.366 0.000 0.826 49 A HN 0.709 nan 8.150 nan 0.000 0.469 50 H N -0.627 118.437 119.070 -0.009 0.000 2.336 50 H HA 0.408 4.966 4.556 0.003 0.000 0.230 50 H C 0.680 176.002 175.328 -0.009 0.000 1.426 50 H CA -0.393 55.650 56.048 -0.008 0.000 1.359 50 H CB 0.397 30.157 29.762 -0.003 0.000 1.555 50 H HN 0.170 nan 8.280 nan 0.000 0.512 51 L N 0.171 121.418 121.223 0.040 0.000 2.141 51 L HA -0.151 4.187 4.340 -0.004 0.000 0.209 51 L C 1.666 178.554 176.870 0.031 0.000 1.094 51 L CA 1.291 56.145 54.840 0.022 0.000 0.763 51 L CB -0.194 41.856 42.059 -0.016 0.000 0.908 51 L HN 0.584 nan 8.230 nan 0.000 0.437 52 D N -0.895 119.528 120.400 0.039 0.000 2.116 52 D HA -0.215 4.423 4.640 -0.004 0.000 0.193 52 D C 1.844 178.165 176.300 0.036 0.000 0.998 52 D CA 2.014 56.034 54.000 0.034 0.000 0.836 52 D CB -0.827 39.996 40.800 0.038 0.000 0.951 52 D HN 0.110 nan 8.370 nan 0.000 0.449 53 T N 0.112 114.697 114.554 0.051 0.000 2.746 53 T HA -0.095 4.253 4.350 -0.004 0.000 0.267 53 T C 1.785 176.502 174.700 0.030 0.000 1.039 53 T CA 0.964 63.084 62.100 0.033 0.000 1.142 53 T CB -0.453 68.430 68.868 0.025 0.000 0.866 53 T HN 0.070 nan 8.240 nan 0.000 0.444 54 L N 0.976 122.223 121.223 0.040 0.000 2.046 54 L HA 0.057 4.395 4.340 -0.004 0.000 0.208 54 L C 2.134 179.019 176.870 0.025 0.000 1.077 54 L CA 1.481 56.342 54.840 0.034 0.000 0.747 54 L CB -0.677 41.406 42.059 0.039 0.000 0.896 54 L HN 0.251 nan 8.230 nan 0.000 0.432 55 L N -0.954 120.282 121.223 0.022 0.000 2.017 55 L HA -0.230 4.108 4.340 -0.004 0.000 0.208 55 L C 2.759 179.639 176.870 0.016 0.000 1.073 55 L CA 1.634 56.484 54.840 0.016 0.000 0.745 55 L CB -0.676 41.390 42.059 0.012 0.000 0.894 55 L HN 0.278 nan 8.230 nan 0.000 0.432 56 R N 0.145 120.655 120.500 0.016 0.000 2.091 56 R HA -0.217 4.121 4.340 -0.004 0.000 0.238 56 R C 2.369 178.678 176.300 0.015 0.000 1.136 56 R CA 1.748 57.856 56.100 0.014 0.000 0.959 56 R CB -0.090 30.218 30.300 0.013 0.000 0.856 56 R HN 0.446 nan 8.270 nan 0.000 0.437 57 Q N -0.593 119.216 119.800 0.016 0.000 2.079 57 Q HA -0.181 4.157 4.340 -0.004 0.000 0.200 57 Q C 2.198 178.209 176.000 0.019 0.000 0.974 57 Q CA 1.506 57.319 55.803 0.016 0.000 0.840 57 Q CB -0.136 28.611 28.738 0.015 0.000 0.898 57 Q HN 0.299 nan 8.270 nan 0.000 0.430 58 R N 0.701 121.213 120.500 0.021 0.000 2.083 58 R HA -0.182 4.156 4.340 -0.004 0.000 0.237 58 R C 2.158 178.470 176.300 0.020 0.000 1.137 58 R CA 1.455 57.569 56.100 0.022 0.000 0.951 58 R CB -0.309 30.005 30.300 0.023 0.000 0.851 58 R HN 0.230 nan 8.270 nan 0.000 0.434 59 A N 0.771 123.601 122.820 0.017 0.000 1.877 59 A HA -0.217 4.100 4.320 -0.004 0.000 0.216 59 A C 2.108 179.701 177.584 0.016 0.000 1.186 59 A CA 1.660 53.706 52.037 0.015 0.000 0.620 59 A CB -0.539 18.468 19.000 0.013 0.000 0.822 59 A HN 0.568 nan 8.150 nan 0.000 0.443 60 Q N -0.774 119.035 119.800 0.016 0.000 2.083 60 Q HA -0.112 4.226 4.340 -0.004 0.000 0.198 60 Q C 2.233 178.245 176.000 0.020 0.000 0.969 60 Q CA 1.887 57.700 55.803 0.017 0.000 0.838 60 Q CB -0.448 28.300 28.738 0.016 0.000 0.900 60 Q HN 0.868 nan 8.270 nan 0.000 0.436 61 T N -3.202 111.365 114.554 0.021 0.000 3.043 61 T HA 0.173 4.521 4.350 -0.004 0.000 0.263 61 T C 1.506 176.222 174.700 0.025 0.000 1.094 61 T CA 0.609 62.724 62.100 0.025 0.000 1.127 61 T CB 0.126 69.009 68.868 0.025 0.000 0.905 61 T HN 0.465 nan 8.240 nan 0.000 0.490 62 G N 0.834 109.648 108.800 0.023 0.000 2.153 62 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.252 62 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.252 62 G C 0.027 174.943 174.900 0.026 0.000 0.994 62 G CA 0.070 45.183 45.100 0.023 0.000 0.698 62 G HN 0.727 nan 8.290 nan 0.000 0.521 63 V N 1.433 121.365 119.914 0.029 0.000 2.364 63 V HA 0.528 4.646 4.120 -0.004 0.000 0.272 63 V C 1.442 177.558 176.094 0.037 0.000 1.036 63 V CA 0.659 62.979 62.300 0.034 0.000 0.880 63 V CB 1.245 33.089 31.823 0.035 0.000 0.991 63 V HN 0.629 nan 8.190 nan 0.000 0.460 64 T N 0.355 114.933 114.554 0.039 0.000 3.001 64 T HA 0.064 4.411 4.350 -0.004 0.000 0.251 64 T C 0.909 175.644 174.700 0.058 0.000 1.040 64 T CA -0.149 61.975 62.100 0.039 0.000 0.985 64 T CB -0.252 68.632 68.868 0.027 0.000 1.011 64 T HN 0.408 nan 8.240 nan 0.000 0.509 65 N N 2.088 120.832 118.700 0.075 0.000 2.670 65 N HA 0.206 4.943 4.740 -0.004 0.000 0.296 65 N C -0.988 174.609 175.510 0.145 0.000 1.216 65 N CA -0.170 52.956 53.050 0.126 0.000 1.123 65 N CB -0.893 37.665 38.487 0.119 0.000 1.459 65 N HN 0.547 nan 8.380 nan 0.000 0.509 66 I N 0.841 121.510 120.570 0.164 0.000 2.569 66 I HA 0.515 4.683 4.170 -0.004 0.000 0.296 66 I C -0.186 176.066 176.117 0.225 0.000 1.028 66 I CA -1.269 60.119 61.300 0.147 0.000 1.082 66 I CB 2.025 40.080 38.000 0.092 0.000 1.264 66 I HN 0.251 nan 8.210 nan 0.000 0.429 67 A N 5.852 128.772 122.820 0.167 0.000 2.304 67 A HA 0.805 5.123 4.320 -0.004 0.000 0.323 67 A C -0.858 176.795 177.584 0.115 0.000 1.195 67 A CA -0.494 51.645 52.037 0.170 0.000 0.826 67 A CB 1.240 20.288 19.000 0.080 0.000 1.184 67 A HN 0.439 nan 8.150 nan 0.000 0.496 68 V N 2.512 122.506 119.914 0.134 0.000 2.444 68 V HA 0.481 4.598 4.120 -0.004 0.000 0.294 68 V C 1.099 177.256 176.094 0.105 0.000 1.022 68 V CA 0.164 62.523 62.300 0.100 0.000 0.850 68 V CB 1.134 33.009 31.823 0.087 0.000 0.992 68 V HN 1.174 nan 8.190 nan 0.000 0.426 69 A N 3.345 126.207 122.820 0.071 0.000 1.855 69 A HA -0.052 4.265 4.320 -0.004 0.000 0.215 69 A C 1.149 178.775 177.584 0.070 0.000 1.191 69 A CA 1.210 53.284 52.037 0.062 0.000 0.613 69 A CB -0.274 18.749 19.000 0.039 0.000 0.829 69 A HN 0.835 nan 8.150 nan 0.000 0.442 70 D N 0.199 120.633 120.400 0.056 0.000 2.358 70 D HA 0.094 4.732 4.640 -0.004 0.000 0.258 70 D C 0.955 177.303 176.300 0.079 0.000 1.223 70 D CA -0.005 54.031 54.000 0.059 0.000 0.886 70 D CB 0.470 41.291 40.800 0.034 0.000 1.120 70 D HN 0.308 nan 8.370 nan 0.000 0.482 71 E N 2.638 122.896 120.200 0.097 0.000 2.118 71 E HA -0.259 4.089 4.350 -0.004 0.000 0.195 71 E C 1.247 177.902 176.600 0.091 0.000 0.992 71 E CA 0.984 57.441 56.400 0.096 0.000 0.804 71 E CB -0.171 29.587 29.700 0.096 0.000 0.741 71 E HN 0.649 nan 8.360 nan 0.000 0.458 72 H N 0.772 119.835 119.070 -0.013 0.000 2.357 72 H HA 0.060 4.614 4.556 -0.003 0.000 0.301 72 H C 1.861 177.172 175.328 -0.028 0.000 1.082 72 H CA 1.669 57.703 56.048 -0.024 0.000 1.342 72 H CB -0.206 29.546 29.762 -0.017 0.000 1.389 72 H HN 0.115 nan 8.280 nan 0.000 0.511 73 A N 0.661 123.457 122.820 -0.039 0.000 1.930 73 A HA 0.002 4.320 4.320 -0.004 0.000 0.217 73 A C 2.641 180.194 177.584 -0.052 0.000 1.175 73 A CA 1.672 53.648 52.037 -0.101 0.000 0.627 73 A CB -1.114 17.848 19.000 -0.063 0.000 0.815 73 A HN 0.554 nan 8.150 nan 0.000 0.443 74 A N -1.044 121.768 122.820 -0.014 0.000 1.930 74 A HA -0.151 4.166 4.320 -0.004 0.000 0.217 74 A C 2.127 179.667 177.584 -0.073 0.000 1.175 74 A CA 1.931 53.953 52.037 -0.024 0.000 0.627 74 A CB -0.477 18.523 19.000 0.001 0.000 0.815 74 A HN 0.536 nan 8.150 nan 0.000 0.443 75 Q N -0.312 119.447 119.800 -0.068 0.000 2.020 75 Q HA -0.134 4.203 4.340 -0.004 0.000 0.202 75 Q C 2.234 178.212 176.000 -0.036 0.000 0.982 75 Q CA 1.967 57.737 55.803 -0.055 0.000 0.838 75 Q CB -0.224 28.525 28.738 0.018 0.000 0.899 75 Q HN 0.615 nan 8.270 nan 0.000 0.423 76 R N -0.932 119.543 120.500 -0.042 0.000 2.170 76 R HA -0.150 4.188 4.340 -0.004 0.000 0.242 76 R C 1.923 178.195 176.300 -0.046 0.000 1.145 76 R CA 1.249 57.312 56.100 -0.061 0.000 0.984 76 R CB -0.185 30.035 30.300 -0.134 0.000 0.869 76 R HN 0.155 nan 8.270 nan 0.000 0.455 77 V N -1.004 118.885 119.914 -0.041 0.000 2.325 77 V HA 0.201 4.319 4.120 -0.004 0.000 0.229 77 V C 1.016 177.097 176.094 -0.022 0.000 1.062 77 V CA 1.265 63.550 62.300 -0.025 0.000 1.039 77 V CB -0.506 31.309 31.823 -0.013 0.000 0.667 77 V HN 0.618 nan 8.190 nan 0.000 0.474 78 G N -0.447 108.338 108.800 -0.025 0.000 2.592 78 G HA2 0.198 4.155 3.960 -0.004 0.000 0.685 78 G HA3 0.198 4.155 3.960 -0.004 0.000 0.685 78 G C -0.268 174.623 174.900 -0.014 0.000 1.278 78 G CA 0.211 45.295 45.100 -0.026 0.000 0.822 78 G HN 0.741 nan 8.290 nan 0.000 0.652 79 D N -1.507 118.883 120.400 -0.016 0.000 3.059 79 D HA -0.188 4.449 4.640 -0.004 0.000 0.220 79 D C 0.744 177.044 176.300 -0.000 0.000 1.169 79 D CA 1.429 55.423 54.000 -0.009 0.000 0.902 79 D CB -0.801 39.996 40.800 -0.006 0.000 1.116 79 D HN 0.754 nan 8.370 nan 0.000 0.417 80 I N 1.228 121.806 120.570 0.013 0.000 2.421 80 I HA 0.114 4.282 4.170 -0.004 0.000 0.291 80 I C -0.767 175.383 176.117 0.055 0.000 1.089 80 I CA -1.501 59.830 61.300 0.052 0.000 1.354 80 I CB 0.459 38.508 38.000 0.081 0.000 1.413 80 I HN 0.000 nan 8.210 nan 0.000 0.513 81 P HA -0.109 nan 4.420 nan 0.000 0.221 81 P C -0.447 176.500 177.300 -0.588 0.000 1.150 81 P CA 1.342 64.229 63.100 -0.355 0.000 0.800 81 P CB 0.169 31.561 31.700 -0.513 0.000 0.787 82 Y N -0.188 120.142 120.300 0.050 0.000 2.346 82 Y HA 0.463 5.011 4.550 -0.004 0.000 0.332 82 Y C 0.432 176.348 175.900 0.026 0.000 0.985 82 Y CA -1.065 57.009 58.100 -0.043 0.000 1.112 82 Y CB 1.337 39.778 38.460 -0.033 0.000 1.170 82 Y HN 0.041 nan 8.280 nan 0.000 0.447 83 H N 0.168 119.316 119.070 0.131 0.000 2.996 83 H HA 0.898 5.452 4.556 -0.004 0.000 0.368 83 H C -0.057 175.312 175.328 0.068 0.000 1.185 83 H CA -1.247 54.850 56.048 0.082 0.000 1.160 83 H CB 1.974 31.765 29.762 0.048 0.000 1.820 83 H HN 0.949 nan 8.280 nan 0.000 0.547 84 G N 0.045 108.942 108.800 0.162 0.000 2.462 84 G HA2 -0.038 3.919 3.960 -0.004 0.000 0.685 84 G HA3 -0.038 3.919 3.960 -0.004 0.000 0.685 84 G C 0.661 175.595 174.900 0.057 0.000 1.295 84 G CA -0.096 45.060 45.100 0.095 0.000 0.941 84 G HN 1.300 nan 8.290 nan 0.000 0.554 85 S N -0.839 114.883 115.700 0.038 0.000 2.447 85 S HA -0.029 4.439 4.470 -0.004 0.000 0.233 85 S C 1.449 176.055 174.600 0.009 0.000 1.006 85 S CA 2.007 60.220 58.200 0.022 0.000 0.957 85 S CB -0.071 63.139 63.200 0.016 0.000 0.773 85 S HN 1.178 nan 8.310 nan 0.000 0.507 86 D N 1.062 121.465 120.400 0.006 0.000 2.340 86 D HA 0.386 5.024 4.640 -0.004 0.000 0.217 86 D C 1.565 177.855 176.300 -0.017 0.000 1.081 86 D CA 0.490 54.485 54.000 -0.009 0.000 0.842 86 D CB -0.134 40.660 40.800 -0.010 0.000 0.934 86 D HN 0.416 nan 8.370 nan 0.000 0.511 87 A N 1.260 124.083 122.820 0.005 0.000 1.883 87 A HA 0.023 4.341 4.320 -0.004 0.000 0.217 87 A C 2.417 179.962 177.584 -0.065 0.000 1.186 87 A CA 2.167 54.218 52.037 0.024 0.000 0.624 87 A CB -0.899 18.156 19.000 0.092 0.000 0.822 87 A HN 0.352 nan 8.150 nan 0.000 0.444 88 A N -0.966 121.823 122.820 -0.052 0.000 1.877 88 A HA -0.096 4.221 4.320 -0.004 0.000 0.216 88 A C 2.319 179.827 177.584 -0.128 0.000 1.186 88 A CA 2.369 54.356 52.037 -0.084 0.000 0.620 88 A CB -1.409 17.562 19.000 -0.047 0.000 0.822 88 A HN 0.448 nan 8.150 nan 0.000 0.443 89 T N -0.042 114.453 114.554 -0.099 0.000 2.684 89 T HA -0.183 4.165 4.350 -0.004 0.000 0.267 89 T C 2.036 176.648 174.700 -0.146 0.000 1.036 89 T CA 1.724 63.764 62.100 -0.100 0.000 1.148 89 T CB -0.277 68.553 68.868 -0.064 0.000 0.863 89 T HN 0.536 nan 8.240 nan 0.000 0.436 90 R N 0.284 120.676 120.500 -0.180 0.000 2.075 90 R HA 0.074 4.412 4.340 -0.004 0.000 0.232 90 R C 2.473 178.445 176.300 -0.548 0.000 1.126 90 R CA 0.815 56.769 56.100 -0.243 0.000 0.963 90 R CB -0.698 29.541 30.300 -0.102 0.000 0.858 90 R HN 0.244 nan 8.270 nan 0.000 0.435 91 L N 1.052 121.773 121.223 -0.837 0.000 2.021 91 L HA -0.235 4.103 4.340 -0.004 0.000 0.215 91 L C 2.146 178.790 176.870 -0.377 0.000 1.074 91 L CA 1.694 56.022 54.840 -0.854 0.000 0.760 91 L CB -0.346 41.402 42.059 -0.518 0.000 0.889 91 L HN -0.072 nan 8.230 nan 0.000 0.433 92 V N -0.305 119.462 119.914 -0.245 0.000 2.295 92 V HA -0.303 3.815 4.120 -0.004 0.000 0.246 92 V C 2.464 178.490 176.094 -0.113 0.000 1.049 92 V CA 2.176 64.392 62.300 -0.140 0.000 1.024 92 V CB -0.715 31.045 31.823 -0.105 0.000 0.648 92 V HN 0.530 nan 8.190 nan 0.000 0.447 93 E N -0.293 119.834 120.200 -0.121 0.000 2.153 93 E HA -0.249 4.099 4.350 -0.004 0.000 0.194 93 E C 2.019 178.584 176.600 -0.058 0.000 0.988 93 E CA 1.230 57.583 56.400 -0.078 0.000 0.811 93 E CB -0.090 29.569 29.700 -0.068 0.000 0.746 93 E HN 0.666 nan 8.360 nan 0.000 0.466 94 Q N -0.257 119.493 119.800 -0.084 0.000 2.247 94 Q HA 0.099 4.436 4.340 -0.004 0.000 0.211 94 Q C -0.434 175.570 176.000 0.007 0.000 0.861 94 Q CA 0.147 55.943 55.803 -0.011 0.000 0.949 94 Q CB 1.332 30.111 28.738 0.068 0.000 1.115 94 Q HN -0.010 nan 8.270 nan 0.000 0.507 95 T N 1.344 115.880 114.554 -0.030 0.000 2.770 95 T HA 0.175 4.523 4.350 -0.004 0.000 0.283 95 T C -0.329 174.369 174.700 -0.003 0.000 0.988 95 T CA -0.573 61.524 62.100 -0.005 0.000 0.957 95 T CB 1.522 70.378 68.868 -0.019 0.000 0.930 95 T HN -0.002 nan 8.240 nan 0.000 0.443 96 E N 2.223 122.430 120.200 0.011 0.000 2.415 96 E HA 0.420 4.768 4.350 -0.004 0.000 0.260 96 E C -0.304 176.304 176.600 0.014 0.000 1.016 96 E CA 0.063 56.470 56.400 0.012 0.000 0.924 96 E CB 0.720 30.430 29.700 0.017 0.000 0.961 96 E HN 0.802 nan 8.360 nan 0.000 0.459 97 A N 3.731 126.558 122.820 0.011 0.000 2.610 97 A HA 0.328 4.645 4.320 -0.004 0.000 0.291 97 A C -0.179 177.418 177.584 0.021 0.000 1.086 97 A CA -0.681 51.366 52.037 0.017 0.000 0.677 97 A CB 1.280 20.284 19.000 0.007 0.000 1.278 97 A HN 0.502 nan 8.150 nan 0.000 0.414 98 D N -0.580 119.840 120.400 0.034 0.000 2.380 98 D HA 0.230 4.868 4.640 -0.004 0.000 0.212 98 D C -0.024 176.301 176.300 0.041 0.000 1.021 98 D CA 1.223 55.249 54.000 0.043 0.000 0.884 98 D CB 0.891 41.728 40.800 0.063 0.000 1.001 98 D HN 0.240 nan 8.370 nan 0.000 0.506 99 V N 1.535 121.470 119.914 0.035 0.000 2.686 99 V HA 0.281 4.399 4.120 -0.004 0.000 0.306 99 V C -0.338 175.751 176.094 -0.008 0.000 1.065 99 V CA -0.877 61.434 62.300 0.020 0.000 0.894 99 V CB 2.872 34.715 31.823 0.034 0.000 1.004 99 V HN -0.266 nan 8.190 nan 0.000 0.424 100 V N 5.474 125.374 119.914 -0.024 0.000 2.347 100 V HA 0.417 4.535 4.120 -0.004 0.000 0.280 100 V C -0.284 175.780 176.094 -0.051 0.000 1.021 100 V CA -0.493 61.784 62.300 -0.039 0.000 0.847 100 V CB 1.532 33.328 31.823 -0.044 0.000 0.990 100 V HN 0.693 nan 8.190 nan 0.000 0.444 101 L N 5.456 126.645 121.223 -0.057 0.000 2.268 101 L HA 0.497 4.835 4.340 -0.004 0.000 0.289 101 L C 0.123 176.956 176.870 -0.062 0.000 1.064 101 L CA 0.340 55.140 54.840 -0.067 0.000 0.824 101 L CB 0.607 42.618 42.059 -0.079 0.000 1.202 101 L HN 0.604 nan 8.230 nan 0.000 0.433 102 N N 4.378 123.039 118.700 -0.065 0.000 2.558 102 N HA 0.411 5.149 4.740 -0.004 0.000 0.233 102 N C -0.148 175.326 175.510 -0.060 0.000 1.038 102 N CA 0.187 53.201 53.050 -0.060 0.000 0.934 102 N CB 1.392 39.842 38.487 -0.063 0.000 1.175 102 N HN 0.689 nan 8.380 nan 0.000 0.512 103 A N 4.594 127.382 122.820 -0.053 0.000 2.637 103 A HA 0.305 4.623 4.320 -0.004 0.000 0.293 103 A C 0.498 178.059 177.584 -0.038 0.000 1.216 103 A CA -0.395 51.611 52.037 -0.051 0.000 0.956 103 A CB -0.204 18.765 19.000 -0.052 0.000 1.174 103 A HN 0.580 nan 8.150 nan 0.000 0.525 104 L N -0.147 121.055 121.223 -0.035 0.000 2.472 104 L HA 0.238 4.576 4.340 -0.004 0.000 0.260 104 L C -0.012 176.844 176.870 -0.024 0.000 1.209 104 L CA -0.324 54.501 54.840 -0.024 0.000 0.817 104 L CB 0.926 42.971 42.059 -0.024 0.000 1.106 104 L HN 0.053 nan 8.230 nan 0.000 0.479 105 V N 1.423 121.329 119.914 -0.014 0.000 2.427 105 V HA 0.579 4.696 4.120 -0.004 0.000 0.286 105 V C 0.840 176.926 176.094 -0.013 0.000 1.034 105 V CA 0.335 62.627 62.300 -0.012 0.000 0.893 105 V CB 0.496 32.319 31.823 -0.000 0.000 0.982 105 V HN 1.056 nan 8.190 nan 0.000 0.452 106 G N 4.705 113.495 108.800 -0.017 0.000 2.582 106 G HA2 -0.160 3.798 3.960 -0.004 0.000 0.288 106 G HA3 -0.160 3.798 3.960 -0.004 0.000 0.288 106 G C 1.076 175.964 174.900 -0.019 0.000 1.247 106 G CA 0.418 45.509 45.100 -0.016 0.000 0.972 106 G HN 1.552 nan 8.290 nan 0.000 0.557 107 A N -0.631 122.178 122.820 -0.019 0.000 2.125 107 A HA 0.292 4.610 4.320 -0.004 0.000 0.219 107 A C 2.574 180.146 177.584 -0.021 0.000 1.156 107 A CA 2.004 54.028 52.037 -0.022 0.000 0.671 107 A CB -0.357 18.630 19.000 -0.023 0.000 0.794 107 A HN 0.923 nan 8.150 nan 0.000 0.459 108 L N -0.991 120.222 121.223 -0.018 0.000 2.265 108 L HA -0.108 4.229 4.340 -0.004 0.000 0.215 108 L C 2.555 179.411 176.870 -0.023 0.000 1.117 108 L CA 0.879 55.709 54.840 -0.017 0.000 0.782 108 L CB -0.448 41.605 42.059 -0.011 0.000 0.914 108 L HN 0.485 nan 8.230 nan 0.000 0.441 109 G N -0.367 108.417 108.800 -0.028 0.000 2.623 109 G HA2 -0.146 3.812 3.960 -0.004 0.000 0.214 109 G HA3 -0.146 3.812 3.960 -0.004 0.000 0.214 109 G C 1.500 176.377 174.900 -0.039 0.000 1.138 109 G CA 0.027 45.106 45.100 -0.035 0.000 0.794 109 G HN 0.181 nan 8.290 nan 0.000 0.535 110 L N 0.618 121.820 121.223 -0.035 0.000 2.005 110 L HA 0.135 4.473 4.340 -0.004 0.000 0.207 110 L C 2.772 179.620 176.870 -0.036 0.000 1.072 110 L CA 1.675 56.494 54.840 -0.036 0.000 0.744 110 L CB -0.510 41.531 42.059 -0.031 0.000 0.895 110 L HN 0.078 nan 8.230 nan 0.000 0.433 111 R N -0.413 120.068 120.500 -0.033 0.000 2.075 111 R HA -0.092 4.246 4.340 -0.004 0.000 0.232 111 R C -0.226 176.048 176.300 -0.042 0.000 1.126 111 R CA 1.685 57.765 56.100 -0.034 0.000 0.963 111 R CB -1.599 28.684 30.300 -0.029 0.000 0.858 111 R HN 0.414 nan 8.270 nan 0.000 0.435 112 P HA -0.081 nan 4.420 nan 0.000 0.218 112 P C 1.010 178.277 177.300 -0.054 0.000 1.149 112 P CA 1.350 64.417 63.100 -0.054 0.000 0.817 112 P CB 0.012 31.679 31.700 -0.054 0.000 0.785 113 T N -0.412 114.111 114.554 -0.052 0.000 2.708 113 T HA -0.082 4.266 4.350 -0.004 0.000 0.266 113 T C 1.693 176.361 174.700 -0.053 0.000 1.037 113 T CA 1.114 63.180 62.100 -0.057 0.000 1.146 113 T CB -0.840 67.992 68.868 -0.060 0.000 0.865 113 T HN 0.045 nan 8.240 nan 0.000 0.435 114 L N 0.683 121.878 121.223 -0.047 0.000 2.027 114 L HA -0.058 4.279 4.340 -0.004 0.000 0.206 114 L C 3.057 179.902 176.870 -0.041 0.000 1.074 114 L CA 1.221 56.036 54.840 -0.041 0.000 0.745 114 L CB -0.716 41.322 42.059 -0.035 0.000 0.898 114 L HN 0.218 nan 8.230 nan 0.000 0.433 115 A N 0.232 123.026 122.820 -0.043 0.000 1.892 115 A HA -0.259 4.059 4.320 -0.004 0.000 0.218 115 A C 2.538 180.094 177.584 -0.046 0.000 1.188 115 A CA 2.098 54.107 52.037 -0.046 0.000 0.631 115 A CB -0.845 18.122 19.000 -0.056 0.000 0.822 115 A HN 0.425 nan 8.150 nan 0.000 0.447 116 A N -0.330 122.460 122.820 -0.050 0.000 1.877 116 A HA -0.061 4.257 4.320 -0.004 0.000 0.216 116 A C 2.193 179.751 177.584 -0.042 0.000 1.186 116 A CA 1.554 53.562 52.037 -0.048 0.000 0.620 116 A CB -0.667 18.302 19.000 -0.052 0.000 0.822 116 A HN 0.490 nan 8.150 nan 0.000 0.443 117 L N -0.818 120.378 121.223 -0.044 0.000 2.042 117 L HA -0.220 4.117 4.340 -0.004 0.000 0.210 117 L C 2.525 179.375 176.870 -0.033 0.000 1.076 117 L CA 1.827 56.642 54.840 -0.042 0.000 0.749 117 L CB -0.484 41.547 42.059 -0.047 0.000 0.893 117 L HN 0.353 nan 8.230 nan 0.000 0.432 118 K N -0.421 119.960 120.400 -0.031 0.000 2.280 118 K HA -0.148 4.170 4.320 -0.004 0.000 0.202 118 K C 2.032 178.619 176.600 -0.022 0.000 1.047 118 K CA 1.760 58.032 56.287 -0.025 0.000 0.942 118 K CB -0.214 32.271 32.500 -0.025 0.000 0.739 118 K HN 0.498 nan 8.250 nan 0.000 0.457 119 T N -3.378 111.161 114.554 -0.024 0.000 3.067 119 T HA 0.087 4.435 4.350 -0.004 0.000 0.261 119 T C 1.548 176.240 174.700 -0.014 0.000 1.110 119 T CA 0.789 62.878 62.100 -0.019 0.000 1.113 119 T CB 0.193 69.047 68.868 -0.023 0.000 0.917 119 T HN 0.337 nan 8.240 nan 0.000 0.499 120 G N 1.239 110.029 108.800 -0.016 0.000 2.199 120 G HA2 -0.068 3.890 3.960 -0.004 0.000 0.254 120 G HA3 -0.068 3.890 3.960 -0.004 0.000 0.254 120 G C 0.394 175.290 174.900 -0.006 0.000 0.982 120 G CA 0.011 45.105 45.100 -0.011 0.000 0.632 120 G HN 1.194 nan 8.290 nan 0.000 0.529 121 A N 0.063 122.878 122.820 -0.008 0.000 2.406 121 A HA 0.640 4.958 4.320 -0.004 0.000 0.243 121 A C 0.902 178.482 177.584 -0.007 0.000 1.082 121 A CA 0.828 52.864 52.037 -0.002 0.000 0.786 121 A CB 0.139 19.136 19.000 -0.005 0.000 1.029 121 A HN 1.247 nan 8.150 nan 0.000 0.495 122 R N 0.254 120.757 120.500 0.006 0.000 2.537 122 R HA 0.284 4.622 4.340 -0.004 0.000 0.280 122 R C -0.904 175.381 176.300 -0.026 0.000 1.058 122 R CA -0.257 55.841 56.100 -0.003 0.000 1.057 122 R CB 0.117 30.435 30.300 0.029 0.000 0.973 122 R HN 0.525 nan 8.270 nan 0.000 0.438 123 L N 4.857 126.049 121.223 -0.052 0.000 2.264 123 L HA 0.413 4.750 4.340 -0.004 0.000 0.287 123 L C -0.752 176.067 176.870 -0.085 0.000 1.039 123 L CA -0.070 54.729 54.840 -0.068 0.000 0.829 123 L CB 1.078 43.089 42.059 -0.080 0.000 1.211 123 L HN 0.801 nan 8.230 nan 0.000 0.427 124 A N 5.590 128.366 122.820 -0.074 0.000 2.415 124 A HA 0.455 4.773 4.320 -0.004 0.000 0.309 124 A C -0.635 176.893 177.584 -0.093 0.000 1.356 124 A CA -0.376 51.611 52.037 -0.084 0.000 0.998 124 A CB -0.230 18.729 19.000 -0.068 0.000 1.145 124 A HN 0.646 nan 8.150 nan 0.000 0.545 125 L N 3.446 124.600 121.223 -0.114 0.000 2.255 125 L HA 0.596 4.934 4.340 -0.004 0.000 0.289 125 L C 0.904 177.709 176.870 -0.108 0.000 1.046 125 L CA 0.444 55.215 54.840 -0.115 0.000 0.816 125 L CB 1.047 43.021 42.059 -0.141 0.000 1.197 125 L HN 0.672 nan 8.230 nan 0.000 0.427 126 A N 3.959 126.724 122.820 -0.092 0.000 2.035 126 A HA 0.085 4.403 4.320 -0.004 0.000 0.208 126 A C 1.051 178.587 177.584 -0.081 0.000 1.206 126 A CA 0.037 52.022 52.037 -0.088 0.000 0.773 126 A CB -0.237 18.713 19.000 -0.082 0.000 0.878 126 A HN 0.734 nan 8.150 nan 0.000 0.469 127 N N 1.432 120.087 118.700 -0.074 0.000 2.406 127 N HA -0.019 4.719 4.740 -0.004 0.000 0.269 127 N C 0.826 176.294 175.510 -0.070 0.000 1.210 127 N CA 0.386 53.398 53.050 -0.064 0.000 0.966 127 N CB 0.494 38.947 38.487 -0.056 0.000 1.293 127 N HN 0.610 nan 8.380 nan 0.000 0.491 128 K N 2.569 122.931 120.400 -0.064 0.000 2.228 128 K HA -0.083 4.235 4.320 -0.004 0.000 0.202 128 K C 0.794 177.367 176.600 -0.046 0.000 1.051 128 K CA 0.893 57.140 56.287 -0.067 0.000 0.960 128 K CB 0.147 32.619 32.500 -0.048 0.000 0.743 128 K HN 0.286 nan 8.250 nan 0.000 0.458 129 E N 1.854 122.036 120.200 -0.030 0.000 2.118 129 E HA -0.188 4.160 4.350 -0.004 0.000 0.195 129 E C 2.154 178.739 176.600 -0.026 0.000 0.992 129 E CA 1.906 58.297 56.400 -0.016 0.000 0.804 129 E CB -0.175 29.516 29.700 -0.015 0.000 0.741 129 E HN 0.570 nan 8.360 nan 0.000 0.458 130 S N 0.125 115.800 115.700 -0.041 0.000 2.402 130 S HA -0.069 4.399 4.470 -0.004 0.000 0.229 130 S C 1.948 176.516 174.600 -0.052 0.000 1.021 130 S CA 0.543 58.715 58.200 -0.045 0.000 0.974 130 S CB -0.215 62.954 63.200 -0.052 0.000 0.800 130 S HN 0.228 nan 8.310 nan 0.000 0.484 131 L N 0.883 122.066 121.223 -0.067 0.000 2.068 131 L HA 0.047 4.385 4.340 -0.004 0.000 0.204 131 L C 2.552 179.393 176.870 -0.047 0.000 1.076 131 L CA 0.945 55.737 54.840 -0.079 0.000 0.753 131 L CB -0.368 41.615 42.059 -0.127 0.000 0.910 131 L HN 0.250 nan 8.230 nan 0.000 0.439 132 V N 0.197 120.093 119.914 -0.029 0.000 2.332 132 V HA -0.291 3.827 4.120 -0.004 0.000 0.248 132 V C 2.648 178.752 176.094 0.017 0.000 1.055 132 V CA 1.888 64.192 62.300 0.007 0.000 1.038 132 V CB -0.829 31.014 31.823 0.034 0.000 0.651 132 V HN 0.540 nan 8.190 nan 0.000 0.450 133 A N 0.122 122.945 122.820 0.005 0.000 1.878 133 A HA 0.115 4.433 4.320 -0.004 0.000 0.213 133 A C 2.403 179.983 177.584 -0.006 0.000 1.192 133 A CA 1.352 53.389 52.037 0.001 0.000 0.619 133 A CB -1.101 17.892 19.000 -0.011 0.000 0.837 133 A HN 0.488 nan 8.150 nan 0.000 0.446 134 G N -0.756 108.034 108.800 -0.017 0.000 2.422 134 G HA2 0.230 4.188 3.960 -0.004 0.000 0.218 134 G HA3 0.230 4.188 3.960 -0.004 0.000 0.218 134 G C 1.430 176.323 174.900 -0.012 0.000 1.146 134 G CA 1.148 46.236 45.100 -0.020 0.000 0.769 134 G HN 1.512 nan 8.290 nan 0.000 0.547 135 G N 0.098 108.892 108.800 -0.009 0.000 2.651 135 G HA2 -0.353 3.605 3.960 -0.004 0.000 0.315 135 G HA3 -0.353 3.605 3.960 -0.004 0.000 0.315 135 G C 1.760 176.654 174.900 -0.009 0.000 1.258 135 G CA 2.323 47.426 45.100 0.005 0.000 1.002 135 G HN 1.453 nan 8.290 nan 0.000 0.551 136 S N -0.128 115.574 115.700 0.004 0.000 2.423 136 S HA 0.043 4.511 4.470 -0.004 0.000 0.231 136 S C 2.437 177.029 174.600 -0.014 0.000 1.014 136 S CA 1.979 60.175 58.200 -0.006 0.000 0.965 136 S CB -0.129 63.076 63.200 0.008 0.000 0.785 136 S HN 1.399 nan 8.310 nan 0.000 0.495 137 L N 1.809 123.027 121.223 -0.009 0.000 2.017 137 L HA 0.000 4.338 4.340 -0.004 0.000 0.208 137 L C 2.465 179.319 176.870 -0.026 0.000 1.073 137 L CA 1.536 56.368 54.840 -0.013 0.000 0.745 137 L CB -0.641 41.413 42.059 -0.007 0.000 0.894 137 L HN 0.207 nan 8.230 nan 0.000 0.432 138 V N -0.317 119.576 119.914 -0.034 0.000 2.343 138 V HA -0.292 3.825 4.120 -0.004 0.000 0.247 138 V C 2.537 178.595 176.094 -0.060 0.000 1.051 138 V CA 1.943 64.214 62.300 -0.050 0.000 1.036 138 V CB -0.498 31.290 31.823 -0.059 0.000 0.654 138 V HN 0.439 nan 8.190 nan 0.000 0.451 139 L N -0.568 120.618 121.223 -0.062 0.000 2.046 139 L HA -0.178 4.160 4.340 -0.004 0.000 0.208 139 L C 2.762 179.597 176.870 -0.057 0.000 1.077 139 L CA 1.655 56.452 54.840 -0.073 0.000 0.747 139 L CB -0.582 41.430 42.059 -0.077 0.000 0.896 139 L HN 0.252 nan 8.230 nan 0.000 0.432 140 R N -0.200 120.275 120.500 -0.042 0.000 2.148 140 R HA -0.088 4.250 4.340 -0.004 0.000 0.227 140 R C 2.159 178.440 176.300 -0.033 0.000 1.103 140 R CA 1.102 57.182 56.100 -0.033 0.000 0.983 140 R CB -0.282 30.004 30.300 -0.023 0.000 0.874 140 R HN 0.325 nan 8.270 nan 0.000 0.451 141 A N 0.840 123.638 122.820 -0.037 0.000 2.169 141 A HA 0.263 4.581 4.320 -0.004 0.000 0.212 141 A C 0.927 178.487 177.584 -0.041 0.000 1.153 141 A CA 0.420 52.436 52.037 -0.035 0.000 0.756 141 A CB 0.182 19.161 19.000 -0.036 0.000 0.813 141 A HN 0.266 nan 8.150 nan 0.000 0.471 142 A N 0.617 123.406 122.820 -0.051 0.000 2.306 142 A HA 0.584 4.902 4.320 -0.004 0.000 0.314 142 A C 0.480 178.035 177.584 -0.049 0.000 1.164 142 A CA -0.738 51.265 52.037 -0.057 0.000 0.822 142 A CB 0.267 19.219 19.000 -0.080 0.000 1.130 142 A HN 0.647 nan 8.150 nan 0.000 0.496 143 R N 1.846 122.322 120.500 -0.042 0.000 2.615 143 R HA 0.471 4.808 4.340 -0.004 0.000 0.270 143 R C -2.668 173.607 176.300 -0.042 0.000 1.081 143 R CA -1.222 54.859 56.100 -0.032 0.000 1.154 143 R CB -0.352 29.937 30.300 -0.019 0.000 1.063 143 R HN 0.329 nan 8.270 nan 0.000 0.519 144 P HA 0.023 nan 4.420 nan 0.000 0.261 144 P C 0.300 177.584 177.300 -0.027 0.000 1.183 144 P CA 1.437 64.517 63.100 -0.032 0.000 0.761 144 P CB 0.665 32.358 31.700 -0.011 0.000 0.785 145 G N 2.723 111.489 108.800 -0.057 0.000 2.162 145 G HA2 -0.355 3.603 3.960 -0.004 0.000 0.260 145 G HA3 -0.355 3.603 3.960 -0.004 0.000 0.260 145 G C 1.034 175.890 174.900 -0.073 0.000 0.976 145 G CA 0.471 45.533 45.100 -0.062 0.000 0.655 145 G HN 0.566 nan 8.290 nan 0.000 0.533 146 Q N -0.498 119.258 119.800 -0.073 0.000 2.123 146 Q HA 0.174 4.512 4.340 -0.004 0.000 0.199 146 Q C 1.306 177.246 176.000 -0.101 0.000 0.966 146 Q CA 0.580 56.346 55.803 -0.063 0.000 0.845 146 Q CB -0.010 28.696 28.738 -0.053 0.000 0.907 146 Q HN 0.695 nan 8.270 nan 0.000 0.439 147 I N 1.958 122.440 120.570 -0.146 0.000 2.337 147 I HA 0.116 4.284 4.170 -0.004 0.000 0.291 147 I C -0.881 175.081 176.117 -0.259 0.000 1.046 147 I CA -0.493 60.695 61.300 -0.187 0.000 1.324 147 I CB 1.278 39.154 38.000 -0.206 0.000 1.409 147 I HN -0.149 nan 8.210 nan 0.000 0.494 148 V N 8.885 128.653 119.914 -0.243 0.000 2.378 148 V HA 0.332 4.449 4.120 -0.004 0.000 0.288 148 V C -2.073 173.874 176.094 -0.245 0.000 1.016 148 V CA -1.747 60.360 62.300 -0.323 0.000 0.840 148 V CB 1.613 33.255 31.823 -0.302 0.000 0.994 148 V HN 0.585 nan 8.190 nan 0.000 0.431 149 P HA 0.184 nan 4.420 nan 0.000 0.275 149 P C 0.523 177.765 177.300 -0.098 0.000 1.227 149 P CA 0.106 63.103 63.100 -0.173 0.000 0.781 149 P CB 2.130 33.746 31.700 -0.140 0.000 0.906 150 V N 1.553 121.418 119.914 -0.083 0.000 2.825 150 V HA -0.062 4.056 4.120 -0.004 0.000 0.246 150 V C 1.135 177.190 176.094 -0.066 0.000 1.068 150 V CA 0.890 63.150 62.300 -0.068 0.000 1.088 150 V CB -1.121 30.654 31.823 -0.081 0.000 0.733 150 V HN 0.585 nan 8.190 nan 0.000 0.468 151 D N 0.440 120.812 120.400 -0.047 0.000 2.525 151 D HA -0.078 4.560 4.640 -0.004 0.000 0.235 151 D C 1.620 177.875 176.300 -0.075 0.000 1.137 151 D CA 0.893 54.859 54.000 -0.057 0.000 0.868 151 D CB 1.137 41.995 40.800 0.097 0.000 1.180 151 D HN 0.276 nan 8.370 nan 0.000 0.465 152 S N 2.719 118.296 115.700 -0.205 0.000 2.374 152 S HA -0.293 4.175 4.470 -0.004 0.000 0.227 152 S C 1.572 176.120 174.600 -0.087 0.000 1.037 152 S CA 1.361 59.441 58.200 -0.200 0.000 1.024 152 S CB -0.405 62.599 63.200 -0.326 0.000 0.861 152 S HN 0.617 nan 8.310 nan 0.000 0.456 153 E N 1.086 121.217 120.200 -0.115 0.000 2.047 153 E HA -0.058 4.290 4.350 -0.004 0.000 0.191 153 E C 2.027 178.510 176.600 -0.194 0.000 0.987 153 E CA 1.702 58.003 56.400 -0.165 0.000 0.799 153 E CB -0.457 29.055 29.700 -0.314 0.000 0.752 153 E HN 0.830 nan 8.360 nan 0.000 0.449 154 H N -1.021 118.088 119.070 0.065 0.000 2.428 154 H HA 0.048 4.601 4.556 -0.005 0.000 0.296 154 H C 2.109 177.528 175.328 0.152 0.000 1.062 154 H CA 1.245 57.396 56.048 0.171 0.000 1.350 154 H CB -0.032 29.810 29.762 0.134 0.000 1.403 154 H HN 0.030 nan 8.280 nan 0.000 0.533 155 S N 0.238 116.026 115.700 0.146 0.000 2.368 155 S HA -0.185 4.282 4.470 -0.004 0.000 0.225 155 S C 2.402 177.083 174.600 0.134 0.000 1.030 155 S CA 0.938 59.206 58.200 0.113 0.000 0.999 155 S CB -0.403 62.840 63.200 0.071 0.000 0.844 155 S HN 0.515 nan 8.310 nan 0.000 0.459 156 A N 1.439 124.315 122.820 0.093 0.000 1.902 156 A HA 0.042 4.359 4.320 -0.004 0.000 0.217 156 A C 2.232 179.842 177.584 0.044 0.000 1.181 156 A CA 1.460 53.553 52.037 0.094 0.000 0.623 156 A CB -0.843 18.221 19.000 0.107 0.000 0.818 156 A HN 0.574 nan 8.150 nan 0.000 0.443 157 L N -0.799 120.406 121.223 -0.029 0.000 2.017 157 L HA -0.228 4.110 4.340 -0.004 0.000 0.208 157 L C 3.133 179.878 176.870 -0.207 0.000 1.073 157 L CA 1.182 55.894 54.840 -0.213 0.000 0.745 157 L CB -0.581 41.215 42.059 -0.438 0.000 0.894 157 L HN 0.452 nan 8.230 nan 0.000 0.432 158 A N -0.489 122.329 122.820 -0.003 0.000 1.902 158 A HA -0.257 4.060 4.320 -0.004 0.000 0.217 158 A C 2.204 179.958 177.584 0.282 0.000 1.181 158 A CA 1.652 53.784 52.037 0.158 0.000 0.623 158 A CB -0.467 18.610 19.000 0.130 0.000 0.818 158 A HN 0.498 nan 8.150 nan 0.000 0.443 159 Q N -1.060 118.912 119.800 0.287 0.000 2.050 159 Q HA -0.172 4.166 4.340 -0.004 0.000 0.202 159 Q C 2.291 178.391 176.000 0.167 0.000 0.980 159 Q CA 1.681 57.640 55.803 0.259 0.000 0.840 159 Q CB -0.454 28.413 28.738 0.214 0.000 0.898 159 Q HN 0.743 nan 8.270 nan 0.000 0.424 160 C N 0.568 119.935 119.300 0.112 0.000 2.422 160 C HA -0.076 4.382 4.460 -0.004 0.000 0.279 160 C C 2.455 177.556 174.990 0.185 0.000 1.305 160 C CA 0.411 59.498 59.018 0.115 0.000 1.757 160 C CB -0.925 26.840 27.740 0.043 0.000 1.962 160 C HN 0.471 nan 8.230 nan 0.000 0.499 161 L N 0.330 121.617 121.223 0.107 0.000 2.265 161 L HA -0.129 4.208 4.340 -0.004 0.000 0.215 161 L C 2.662 179.672 176.870 0.233 0.000 1.117 161 L CA 1.181 56.114 54.840 0.155 0.000 0.782 161 L CB -0.539 41.528 42.059 0.012 0.000 0.914 161 L HN 0.348 nan 8.230 nan 0.000 0.441 162 R N -0.087 120.524 120.500 0.186 0.000 2.249 162 R HA -0.108 4.230 4.340 -0.004 0.000 0.230 162 R C 2.226 178.565 176.300 0.065 0.000 1.121 162 R CA 0.917 57.093 56.100 0.128 0.000 0.997 162 R CB -0.543 29.820 30.300 0.105 0.000 0.867 162 R HN 0.407 nan 8.270 nan 0.000 0.465 163 G N -0.054 108.802 108.800 0.094 0.000 2.559 163 G HA2 0.036 3.993 3.960 -0.004 0.000 0.216 163 G HA3 0.036 3.993 3.960 -0.004 0.000 0.216 163 G C 0.451 175.006 174.900 -0.576 0.000 1.126 163 G CA 0.746 45.747 45.100 -0.165 0.000 0.778 163 G HN 0.474 nan 8.290 nan 0.000 0.543 164 G N -1.490 107.135 108.800 -0.291 0.000 2.548 164 G HA2 0.498 4.456 3.960 -0.004 0.000 0.301 164 G HA3 0.498 4.456 3.960 -0.004 0.000 0.301 164 G C -0.479 174.467 174.900 0.076 0.000 1.349 164 G CA 0.095 45.051 45.100 -0.239 0.000 0.792 164 G HN 0.513 nan 8.290 nan 0.000 0.481 165 T N -0.963 113.633 114.554 0.069 0.000 2.882 165 T HA 0.485 4.832 4.350 -0.004 0.000 0.287 165 T C -1.501 173.281 174.700 0.138 0.000 1.014 165 T CA -1.029 61.126 62.100 0.091 0.000 1.049 165 T CB 1.811 70.710 68.868 0.052 0.000 1.001 165 T HN 0.126 nan 8.240 nan 0.000 0.525 166 P HA -0.159 nan 4.420 nan 0.000 0.216 166 P C 1.387 178.730 177.300 0.072 0.000 1.150 166 P CA 1.319 64.470 63.100 0.084 0.000 0.843 166 P CB -0.084 31.654 31.700 0.062 0.000 0.787 167 D N -0.284 120.156 120.400 0.067 0.000 2.350 167 D HA -0.173 4.464 4.640 -0.004 0.000 0.216 167 D C 1.129 177.475 176.300 0.076 0.000 0.968 167 D CA 0.891 54.925 54.000 0.055 0.000 0.894 167 D CB -0.442 40.384 40.800 0.043 0.000 0.909 167 D HN 0.313 nan 8.370 nan 0.000 0.520 168 E N 0.294 120.572 120.200 0.130 0.000 2.474 168 E HA 0.090 4.437 4.350 -0.004 0.000 0.194 168 E C 0.160 176.909 176.600 0.249 0.000 1.041 168 E CA -0.196 56.328 56.400 0.207 0.000 0.874 168 E CB 1.074 30.920 29.700 0.244 0.000 0.914 168 E HN 0.096 nan 8.360 nan 0.000 0.498 169 V N 1.577 121.546 119.914 0.093 0.000 2.521 169 V HA 0.064 4.181 4.120 -0.004 0.000 0.286 169 V C 0.903 176.932 176.094 -0.108 0.000 1.034 169 V CA 0.390 62.604 62.300 -0.144 0.000 1.045 169 V CB 1.073 32.795 31.823 -0.168 0.000 0.974 169 V HN 0.204 nan 8.190 nan 0.000 0.480 170 A N 5.370 128.093 122.820 -0.161 0.000 1.909 170 A HA 0.329 4.647 4.320 -0.004 0.000 0.209 170 A C 0.862 178.376 177.584 -0.116 0.000 1.247 170 A CA 0.548 52.527 52.037 -0.097 0.000 0.660 170 A CB 0.297 19.258 19.000 -0.065 0.000 0.910 170 A HN 0.677 nan 8.150 nan 0.000 0.465 171 K N -0.377 119.919 120.400 -0.174 0.000 2.523 171 K HA 0.617 4.935 4.320 -0.004 0.000 0.257 171 K C -1.717 174.764 176.600 -0.198 0.000 0.932 171 K CA -0.385 55.815 56.287 -0.145 0.000 0.812 171 K CB 2.218 34.655 32.500 -0.106 0.000 1.326 171 K HN 0.209 nan 8.250 nan 0.000 0.433 172 L N 2.524 123.653 121.223 -0.158 0.000 2.295 172 L HA 0.522 4.860 4.340 -0.004 0.000 0.285 172 L C -0.573 176.229 176.870 -0.115 0.000 1.035 172 L CA -1.201 53.536 54.840 -0.171 0.000 0.806 172 L CB 1.534 43.494 42.059 -0.164 0.000 1.214 172 L HN 0.243 nan 8.230 nan 0.000 0.426 173 V N 5.028 124.872 119.914 -0.118 0.000 2.326 173 V HA 0.343 4.461 4.120 -0.004 0.000 0.281 173 V C 0.096 176.154 176.094 -0.058 0.000 1.015 173 V CA -0.415 61.839 62.300 -0.076 0.000 0.823 173 V CB 1.571 33.342 31.823 -0.087 0.000 1.009 173 V HN 0.521 nan 8.190 nan 0.000 0.436 174 L N 4.852 126.055 121.223 -0.033 0.000 2.326 174 L HA 0.495 4.833 4.340 -0.004 0.000 0.278 174 L C 0.894 177.779 176.870 0.025 0.000 1.092 174 L CA 0.027 54.853 54.840 -0.024 0.000 0.810 174 L CB 1.553 43.595 42.059 -0.028 0.000 1.153 174 L HN 0.764 nan 8.230 nan 0.000 0.439 175 T N 0.414 114.998 114.554 0.049 0.000 2.882 175 T HA 0.770 5.118 4.350 -0.004 0.000 0.287 175 T C -0.201 174.561 174.700 0.103 0.000 0.992 175 T CA -0.802 61.364 62.100 0.111 0.000 1.076 175 T CB 1.753 70.712 68.868 0.152 0.000 0.961 175 T HN 0.666 nan 8.240 nan 0.000 0.490 176 A N 1.718 124.601 122.820 0.105 0.000 2.386 176 A HA 0.656 4.973 4.320 -0.004 0.000 0.311 176 A C 1.225 178.850 177.584 0.068 0.000 1.068 176 A CA -0.367 51.718 52.037 0.080 0.000 0.743 176 A CB 1.420 20.442 19.000 0.036 0.000 1.258 176 A HN 1.153 nan 8.150 nan 0.000 0.429 177 S N 1.466 117.220 115.700 0.091 0.000 2.399 177 S HA 0.197 4.665 4.470 -0.004 0.000 0.231 177 S C 1.585 176.137 174.600 -0.079 0.000 1.022 177 S CA 1.772 59.977 58.200 0.009 0.000 0.983 177 S CB -0.300 62.945 63.200 0.074 0.000 0.803 177 S HN 2.722 nan 8.310 nan 0.000 0.480 178 G N 0.580 109.332 108.800 -0.081 0.000 2.268 178 G HA2 0.176 4.133 3.960 -0.004 0.000 0.240 178 G HA3 0.176 4.133 3.960 -0.004 0.000 0.240 178 G C 1.301 176.048 174.900 -0.255 0.000 1.010 178 G CA 0.365 45.352 45.100 -0.189 0.000 0.618 178 G HN 1.949 nan 8.290 nan 0.000 0.516 179 G N -0.150 108.537 108.800 -0.187 0.000 2.741 179 G HA2 0.135 4.093 3.960 -0.004 0.000 0.222 179 G HA3 0.135 4.093 3.960 -0.004 0.000 0.222 179 G C -0.904 173.736 174.900 -0.432 0.000 1.364 179 G CA 0.459 45.415 45.100 -0.240 0.000 0.866 179 G HN 0.848 nan 8.290 nan 0.000 0.555 180 P HA 0.144 nan 4.420 nan 0.000 0.223 180 P C 1.129 177.868 177.300 -0.935 0.000 1.151 180 P CA 1.226 63.815 63.100 -0.851 0.000 0.787 180 P CB -0.052 30.935 31.700 -1.187 0.000 0.788 181 F N -1.124 118.471 119.950 -0.591 0.000 2.639 181 F HA 0.250 4.779 4.527 0.004 0.000 0.300 181 F C 1.204 176.830 175.800 -0.290 0.000 1.109 181 F CA -0.995 56.395 58.000 -1.016 0.000 1.335 181 F CB -0.149 38.339 39.000 -0.853 0.000 1.014 181 F HN -0.288 nan 8.300 nan 0.000 0.537 182 R N 1.356 121.802 120.500 -0.090 0.000 2.480 182 R HA 0.241 4.579 4.340 -0.004 0.000 0.303 182 R C 1.241 177.701 176.300 0.266 0.000 0.985 182 R CA 1.320 57.438 56.100 0.029 0.000 1.051 182 R CB -0.016 30.246 30.300 -0.063 0.000 0.935 182 R HN 0.554 nan 8.270 nan 0.000 0.410 183 G N 3.444 112.446 108.800 0.336 0.000 2.234 183 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.235 183 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.235 183 G C -0.431 174.738 174.900 0.449 0.000 0.997 183 G CA 0.009 45.316 45.100 0.346 0.000 0.623 183 G HN 0.590 nan 8.290 nan 0.000 0.514 184 W N 2.447 123.883 121.300 0.227 0.000 2.112 184 W HA 0.579 5.238 4.660 -0.001 0.000 0.349 184 W C 1.297 177.881 176.519 0.110 0.000 1.289 184 W CA 0.060 57.505 57.345 0.166 0.000 1.256 184 W CB 0.389 29.965 29.460 0.194 0.000 1.148 184 W HN 0.565 nan 8.180 nan 0.000 0.590 185 S N 0.450 116.289 115.700 0.231 0.000 2.693 185 S HA 0.634 5.101 4.470 -0.004 0.000 0.276 185 S C 0.935 175.569 174.600 0.058 0.000 1.192 185 S CA -0.293 57.970 58.200 0.105 0.000 0.994 185 S CB 1.397 64.617 63.200 0.035 0.000 1.012 185 S HN 0.627 nan 8.310 nan 0.000 0.550 186 A N 1.385 124.198 122.820 -0.013 0.000 1.908 186 A HA 0.076 4.394 4.320 -0.004 0.000 0.218 186 A C 2.400 179.948 177.584 -0.060 0.000 1.181 186 A CA 2.048 54.047 52.037 -0.064 0.000 0.627 186 A CB -1.783 17.176 19.000 -0.069 0.000 0.818 186 A HN 1.377 nan 8.150 nan 0.000 0.445 187 A N 0.109 122.898 122.820 -0.051 0.000 1.883 187 A HA -0.245 4.072 4.320 -0.004 0.000 0.217 187 A C 1.730 179.248 177.584 -0.109 0.000 1.186 187 A CA 2.180 54.168 52.037 -0.081 0.000 0.624 187 A CB -0.859 18.110 19.000 -0.052 0.000 0.822 187 A HN 0.502 nan 8.150 nan 0.000 0.444 188 D N -0.342 120.035 120.400 -0.038 0.000 2.218 188 D HA -0.068 4.570 4.640 -0.004 0.000 0.204 188 D C 1.695 178.069 176.300 0.125 0.000 0.976 188 D CA 0.735 54.736 54.000 0.000 0.000 0.853 188 D CB -0.156 40.612 40.800 -0.053 0.000 0.939 188 D HN 0.446 nan 8.370 nan 0.000 0.481 189 L N 0.589 121.850 121.223 0.063 0.000 2.313 189 L HA -0.045 4.293 4.340 -0.004 0.000 0.214 189 L C 2.123 178.950 176.870 -0.072 0.000 1.119 189 L CA 0.564 55.379 54.840 -0.042 0.000 0.809 189 L CB -0.180 41.856 42.059 -0.038 0.000 0.933 189 L HN 0.017 nan 8.230 nan 0.000 0.449 190 E N -0.040 120.065 120.200 -0.158 0.000 2.097 190 E HA -0.218 4.130 4.350 -0.004 0.000 0.196 190 E C 1.516 178.038 176.600 -0.131 0.000 1.000 190 E CA 1.274 57.541 56.400 -0.223 0.000 0.804 190 E CB -0.156 29.280 29.700 -0.440 0.000 0.740 190 E HN 0.605 nan 8.360 nan 0.000 0.454 191 H N -0.572 118.532 119.070 0.056 0.000 2.529 191 H HA 0.168 4.721 4.556 -0.005 0.000 0.277 191 H C 0.244 175.617 175.328 0.075 0.000 1.004 191 H CA -0.223 55.863 56.048 0.064 0.000 1.167 191 H CB -0.053 29.736 29.762 0.045 0.000 1.445 191 H HN -0.127 nan 8.280 nan 0.000 0.554 192 V N 3.449 123.419 119.914 0.095 0.000 2.617 192 V HA -0.041 4.077 4.120 -0.004 0.000 0.304 192 V C 1.116 177.328 176.094 0.197 0.000 1.040 192 V CA 0.447 62.727 62.300 -0.032 0.000 1.149 192 V CB 0.654 32.075 31.823 -0.671 0.000 0.914 192 V HN 0.469 nan 8.190 nan 0.000 0.487 193 T N 3.478 118.145 114.554 0.189 0.000 2.934 193 T HA 0.397 4.745 4.350 -0.004 0.000 0.283 193 T C -1.842 172.996 174.700 0.230 0.000 1.005 193 T CA -2.128 60.072 62.100 0.167 0.000 1.041 193 T CB 1.666 70.590 68.868 0.093 0.000 1.042 193 T HN 0.401 nan 8.240 nan 0.000 0.505 194 P HA -0.080 nan 4.420 nan 0.000 0.220 194 P C 1.423 178.794 177.300 0.118 0.000 1.144 194 P CA 0.851 63.941 63.100 -0.017 0.000 0.800 194 P CB 0.138 31.680 31.700 -0.264 0.000 0.772 195 E N -0.354 119.899 120.200 0.088 0.000 2.072 195 E HA -0.147 4.201 4.350 -0.004 0.000 0.190 195 E C 2.050 178.724 176.600 0.123 0.000 0.982 195 E CA 1.082 57.536 56.400 0.090 0.000 0.803 195 E CB -0.392 29.347 29.700 0.065 0.000 0.755 195 E HN 0.443 nan 8.360 nan 0.000 0.453 196 Q N 0.239 120.141 119.800 0.171 0.000 2.119 196 Q HA -0.042 4.296 4.340 -0.004 0.000 0.201 196 Q C 1.914 178.036 176.000 0.203 0.000 0.972 196 Q CA 1.320 57.250 55.803 0.212 0.000 0.847 196 Q CB -0.081 28.842 28.738 0.308 0.000 0.903 196 Q HN 0.152 nan 8.270 nan 0.000 0.433 197 A N 0.341 123.345 122.820 0.306 0.000 2.235 197 A HA 0.077 4.395 4.320 -0.004 0.000 0.208 197 A C 1.873 179.555 177.584 0.163 0.000 1.172 197 A CA 0.928 53.127 52.037 0.270 0.000 0.786 197 A CB -0.272 19.019 19.000 0.485 0.000 0.804 197 A HN 0.422 nan 8.150 nan 0.000 0.479 198 G N -1.158 107.721 108.800 0.131 0.000 2.939 198 G HA2 0.413 4.371 3.960 -0.004 0.000 0.210 198 G HA3 0.413 4.371 3.960 -0.004 0.000 0.210 198 G C 0.516 175.455 174.900 0.066 0.000 1.160 198 G CA 0.688 45.850 45.100 0.104 0.000 0.770 198 G HN 0.729 nan 8.290 nan 0.000 0.543 199 A N 0.248 123.084 122.820 0.027 0.000 2.304 199 A HA 0.647 4.965 4.320 -0.004 0.000 0.323 199 A C -1.080 176.511 177.584 0.011 0.000 1.195 199 A CA -0.631 51.415 52.037 0.016 0.000 0.826 199 A CB 0.757 19.749 19.000 -0.012 0.000 1.184 199 A HN 0.305 nan 8.150 nan 0.000 0.496 200 H N 4.373 123.415 119.070 -0.047 0.000 2.489 200 H HA 0.322 4.868 4.556 -0.017 0.000 0.343 200 H C -1.660 173.635 175.328 -0.056 0.000 1.086 200 H CA -1.670 54.347 56.048 -0.051 0.000 1.198 200 H CB 2.206 31.981 29.762 0.022 0.000 1.490 200 H HN 0.521 nan 8.280 nan 0.000 0.504 201 P HA -0.129 nan 4.420 nan 0.000 0.218 201 P C 0.931 178.064 177.300 -0.278 0.000 1.148 201 P CA 1.518 64.405 63.100 -0.356 0.000 0.822 201 P CB 0.440 31.893 31.700 -0.411 0.000 0.784 202 T N -7.712 106.673 114.554 -0.281 0.000 3.010 202 T HA 0.113 4.460 4.350 -0.004 0.000 0.252 202 T C 0.112 174.632 174.700 -0.299 0.000 0.963 202 T CA -0.352 61.562 62.100 -0.310 0.000 0.952 202 T CB -0.397 68.208 68.868 -0.438 0.000 1.182 202 T HN -0.003 nan 8.240 nan 0.000 0.495 203 W N 2.834 124.318 121.300 0.307 0.000 2.296 203 W HA 0.703 5.362 4.660 -0.001 0.000 0.316 203 W C 0.035 176.622 176.519 0.112 0.000 1.022 203 W CA -0.896 56.553 57.345 0.174 0.000 1.324 203 W CB 1.568 31.069 29.460 0.069 0.000 1.227 203 W HN 0.012 nan 8.180 nan 0.000 0.409 204 S N 5.609 121.464 115.700 0.259 0.000 2.455 204 S HA 0.505 4.972 4.470 -0.004 0.000 0.278 204 S C -0.011 174.669 174.600 0.134 0.000 1.216 204 S CA 0.117 58.410 58.200 0.155 0.000 1.055 204 S CB -0.211 63.043 63.200 0.090 0.000 0.939 204 S HN 0.497 nan 8.310 nan 0.000 0.494 205 M N 3.398 123.054 119.600 0.093 0.000 2.813 205 M HA 0.443 4.921 4.480 -0.004 0.000 0.270 205 M C 0.364 176.686 176.300 0.037 0.000 1.267 205 M CA -0.557 54.771 55.300 0.048 0.000 0.822 205 M CB 1.280 33.888 32.600 0.014 0.000 1.671 205 M HN 0.744 nan 8.290 nan 0.000 0.468 206 G N 1.285 110.098 108.800 0.023 0.000 2.634 206 G HA2 0.397 4.355 3.960 -0.004 0.000 0.255 206 G HA3 0.397 4.355 3.960 -0.004 0.000 0.255 206 G C -1.909 173.015 174.900 0.040 0.000 1.205 206 G CA -0.800 44.319 45.100 0.032 0.000 0.884 206 G HN 0.482 nan 8.290 nan 0.000 0.549 207 P HA -0.196 nan 4.420 nan 0.000 0.217 207 P C 1.810 179.160 177.300 0.083 0.000 1.148 207 P CA 1.179 64.324 63.100 0.075 0.000 0.828 207 P CB 0.128 31.871 31.700 0.072 0.000 0.783 208 M N 0.240 119.875 119.600 0.057 0.000 2.098 208 M HA -0.056 4.422 4.480 -0.004 0.000 0.262 208 M C 1.890 178.208 176.300 0.029 0.000 1.072 208 M CA 1.708 57.037 55.300 0.049 0.000 1.133 208 M CB -1.681 30.937 32.600 0.030 0.000 1.344 208 M HN -0.232 nan 8.290 nan 0.000 0.414 209 N N -0.888 117.813 118.700 0.002 0.000 2.166 209 N HA -0.112 4.625 4.740 -0.004 0.000 0.186 209 N C 1.352 176.831 175.510 -0.052 0.000 1.019 209 N CA 1.955 54.983 53.050 -0.037 0.000 0.856 209 N CB -0.313 38.136 38.487 -0.064 0.000 0.993 209 N HN 0.446 nan 8.380 nan 0.000 0.426 210 T N 0.646 115.192 114.554 -0.012 0.000 2.777 210 T HA -0.081 4.267 4.350 -0.004 0.000 0.266 210 T C 1.774 176.513 174.700 0.066 0.000 1.040 210 T CA 0.770 62.873 62.100 0.005 0.000 1.141 210 T CB -0.301 68.602 68.868 0.059 0.000 0.868 210 T HN 0.153 nan 8.240 nan 0.000 0.444 211 L N 2.084 123.376 121.223 0.116 0.000 2.046 211 L HA -0.027 4.310 4.340 -0.004 0.000 0.208 211 L C 1.814 178.769 176.870 0.141 0.000 1.077 211 L CA 1.731 56.687 54.840 0.194 0.000 0.747 211 L CB -0.893 41.302 42.059 0.227 0.000 0.896 211 L HN 0.074 nan 8.230 nan 0.000 0.432 212 N N -0.796 117.941 118.700 0.062 0.000 2.244 212 N HA -0.110 4.628 4.740 -0.004 0.000 0.183 212 N C 1.885 177.416 175.510 0.035 0.000 1.016 212 N CA 1.355 54.423 53.050 0.030 0.000 0.866 212 N CB -0.267 38.222 38.487 0.003 0.000 0.980 212 N HN 0.355 nan 8.380 nan 0.000 0.430 213 S N 0.335 116.036 115.700 0.002 0.000 2.387 213 S HA 0.023 4.490 4.470 -0.004 0.000 0.226 213 S C 2.024 176.673 174.600 0.082 0.000 1.026 213 S CA 0.886 59.085 58.200 -0.002 0.000 0.972 213 S CB -0.194 62.892 63.200 -0.189 0.000 0.814 213 S HN 0.484 nan 8.310 nan 0.000 0.477 214 A N 1.780 124.681 122.820 0.134 0.000 1.930 214 A HA -0.077 4.241 4.320 -0.004 0.000 0.217 214 A C 2.289 180.178 177.584 0.508 0.000 1.175 214 A CA 1.849 54.011 52.037 0.210 0.000 0.627 214 A CB -0.716 18.427 19.000 0.237 0.000 0.815 214 A HN 0.602 nan 8.150 nan 0.000 0.443 215 S N -1.805 114.130 115.700 0.393 0.000 2.496 215 S HA 0.214 4.682 4.470 -0.004 0.000 0.224 215 S C 0.879 175.627 174.600 0.247 0.000 0.996 215 S CA 0.618 58.968 58.200 0.251 0.000 0.927 215 S CB 0.056 63.170 63.200 -0.143 0.000 0.774 215 S HN 0.651 nan 8.310 nan 0.000 0.524 216 L N -0.267 121.051 121.223 0.157 0.000 4.800 216 L HA -0.165 4.172 4.340 -0.004 0.000 0.412 216 L C 1.297 178.236 176.870 0.115 0.000 1.063 216 L CA 0.583 55.486 54.840 0.105 0.000 1.114 216 L CB -2.378 39.756 42.059 0.124 0.000 2.089 216 L HN 0.377 nan 8.230 nan 0.000 0.686 217 V N -0.419 119.550 119.914 0.092 0.000 2.453 217 V HA -0.190 3.928 4.120 -0.004 0.000 0.247 217 V C 2.183 178.355 176.094 0.130 0.000 1.048 217 V CA 2.295 64.661 62.300 0.110 0.000 1.049 217 V CB -0.337 31.481 31.823 -0.008 0.000 0.672 217 V HN 0.581 nan 8.190 nan 0.000 0.457 218 N N 0.728 119.469 118.700 0.069 0.000 2.061 218 N HA -0.250 4.487 4.740 -0.004 0.000 0.193 218 N C 1.754 177.303 175.510 0.065 0.000 1.030 218 N CA 1.725 54.803 53.050 0.047 0.000 0.856 218 N CB -0.187 38.292 38.487 -0.013 0.000 1.023 218 N HN 0.209 nan 8.380 nan 0.000 0.424 219 K N -0.078 120.360 120.400 0.064 0.000 2.057 219 K HA 0.046 4.364 4.320 -0.004 0.000 0.207 219 K C 1.913 178.568 176.600 0.092 0.000 1.049 219 K CA 1.547 57.873 56.287 0.066 0.000 0.931 219 K CB -1.108 31.424 32.500 0.054 0.000 0.714 219 K HN 0.315 nan 8.250 nan 0.000 0.440 220 G N 0.674 109.548 108.800 0.123 0.000 2.446 220 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.217 220 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.217 220 G C 1.528 176.460 174.900 0.055 0.000 1.168 220 G CA 1.097 46.257 45.100 0.100 0.000 0.771 220 G HN 0.302 nan 8.290 nan 0.000 0.551 221 L N 0.157 121.470 121.223 0.150 0.000 2.079 221 L HA -0.102 4.236 4.340 -0.004 0.000 0.210 221 L C 2.876 179.814 176.870 0.113 0.000 1.081 221 L CA 1.409 56.325 54.840 0.126 0.000 0.752 221 L CB -0.431 41.717 42.059 0.148 0.000 0.896 221 L HN 0.302 nan 8.230 nan 0.000 0.433 222 E N -0.461 119.826 120.200 0.146 0.000 2.150 222 E HA -0.159 4.188 4.350 -0.004 0.000 0.193 222 E C 2.296 179.065 176.600 0.282 0.000 0.985 222 E CA 1.033 57.587 56.400 0.256 0.000 0.814 222 E CB -0.011 29.782 29.700 0.157 0.000 0.752 222 E HN 0.294 nan 8.360 nan 0.000 0.466 223 V N 1.446 121.467 119.914 0.179 0.000 2.295 223 V HA -0.260 3.858 4.120 -0.004 0.000 0.246 223 V C 2.222 178.471 176.094 0.259 0.000 1.049 223 V CA 1.515 63.933 62.300 0.197 0.000 1.024 223 V CB -0.369 31.551 31.823 0.163 0.000 0.648 223 V HN 0.245 nan 8.190 nan 0.000 0.447 224 I N 0.069 120.778 120.570 0.232 0.000 2.127 224 I HA -0.295 3.872 4.170 -0.004 0.000 0.241 224 I C 2.615 178.817 176.117 0.143 0.000 1.075 224 I CA 2.163 63.619 61.300 0.261 0.000 1.334 224 I CB -0.424 37.634 38.000 0.096 0.000 1.040 224 I HN 0.400 nan 8.210 nan 0.000 0.405 225 E N 0.583 120.814 120.200 0.053 0.000 2.085 225 E HA -0.233 4.114 4.350 -0.004 0.000 0.194 225 E C 2.058 178.561 176.600 -0.161 0.000 0.994 225 E CA 2.012 58.329 56.400 -0.139 0.000 0.801 225 E CB 0.026 29.536 29.700 -0.316 0.000 0.743 225 E HN 0.421 nan 8.360 nan 0.000 0.453 226 T N -0.479 114.164 114.554 0.147 0.000 2.684 226 T HA -0.231 4.117 4.350 -0.004 0.000 0.267 226 T C 1.592 176.378 174.700 0.143 0.000 1.036 226 T CA 1.755 64.052 62.100 0.327 0.000 1.148 226 T CB -0.562 68.538 68.868 0.387 0.000 0.863 226 T HN 0.426 nan 8.240 nan 0.000 0.436 227 H N 0.980 119.987 119.070 -0.104 0.000 2.353 227 H HA 0.056 4.609 4.556 -0.004 0.000 0.300 227 H C 1.988 177.204 175.328 -0.187 0.000 1.090 227 H CA 1.376 57.247 56.048 -0.294 0.000 1.327 227 H CB -0.496 28.773 29.762 -0.822 0.000 1.383 227 H HN 0.271 nan 8.280 nan 0.000 0.508 228 L N -0.416 120.669 121.223 -0.230 0.000 2.072 228 L HA -0.116 4.222 4.340 -0.004 0.000 0.205 228 L C 2.578 179.248 176.870 -0.332 0.000 1.079 228 L CA 0.908 55.585 54.840 -0.272 0.000 0.752 228 L CB -0.398 41.580 42.059 -0.135 0.000 0.906 228 L HN 0.291 nan 8.230 nan 0.000 0.436 229 L N -1.312 119.662 121.223 -0.414 0.000 2.056 229 L HA -0.169 4.169 4.340 -0.004 0.000 0.207 229 L C 1.962 178.413 176.870 -0.698 0.000 1.078 229 L CA 1.579 56.012 54.840 -0.677 0.000 0.749 229 L CB -0.217 41.184 42.059 -1.096 0.000 0.901 229 L HN 0.206 nan 8.230 nan 0.000 0.433 230 F N -1.451 118.400 119.950 -0.164 0.000 2.706 230 F HA 0.303 4.827 4.527 -0.006 0.000 0.308 230 F C 1.593 177.296 175.800 -0.162 0.000 1.095 230 F CA 0.262 58.183 58.000 -0.132 0.000 1.244 230 F CB 0.353 39.301 39.000 -0.086 0.000 1.063 230 F HN 0.077 nan 8.300 nan 0.000 0.582 231 G N 1.993 110.707 108.800 -0.143 0.000 2.249 231 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.273 231 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.273 231 G C -0.016 174.806 174.900 -0.131 0.000 1.036 231 G CA -0.143 44.812 45.100 -0.242 0.000 0.824 231 G HN 0.171 nan 8.290 nan 0.000 0.504 232 I N 0.564 121.094 120.570 -0.067 0.000 2.385 232 I HA 0.331 4.498 4.170 -0.004 0.000 0.294 232 I C -1.784 174.371 176.117 0.063 0.000 0.988 232 I CA -3.006 58.292 61.300 -0.003 0.000 1.265 232 I CB 1.161 39.154 38.000 -0.011 0.000 1.388 232 I HN -0.142 nan 8.210 nan 0.000 0.480 233 P HA 0.074 nan 4.420 nan 0.000 0.269 233 P C 0.417 177.686 177.300 -0.053 0.000 1.209 233 P CA 0.109 63.228 63.100 0.032 0.000 0.776 233 P CB 0.382 32.108 31.700 0.044 0.000 0.876 234 Y N 1.262 121.529 120.300 -0.055 0.000 2.241 234 Y HA -0.266 4.281 4.550 -0.005 0.000 0.286 234 Y C 2.115 177.996 175.900 -0.032 0.000 1.166 234 Y CA 1.885 59.939 58.100 -0.077 0.000 1.203 234 Y CB -0.608 37.755 38.460 -0.161 0.000 0.977 234 Y HN 0.433 nan 8.280 nan 0.000 0.529 235 D N -0.277 120.189 120.400 0.110 0.000 2.363 235 D HA -0.100 4.538 4.640 -0.004 0.000 0.220 235 D C 1.227 177.547 176.300 0.033 0.000 0.994 235 D CA 0.706 54.745 54.000 0.064 0.000 0.890 235 D CB -0.346 40.482 40.800 0.047 0.000 0.906 235 D HN 0.284 nan 8.370 nan 0.000 0.530 236 R N -0.145 120.367 120.500 0.019 0.000 2.468 236 R HA 0.357 4.694 4.340 -0.004 0.000 0.280 236 R C 0.025 176.313 176.300 -0.020 0.000 0.963 236 R CA -0.221 55.873 56.100 -0.009 0.000 1.083 236 R CB 0.720 31.006 30.300 -0.022 0.000 1.200 236 R HN 0.204 nan 8.270 nan 0.000 0.541 237 I N 1.696 122.269 120.570 0.006 0.000 2.330 237 I HA 0.184 4.352 4.170 -0.004 0.000 0.286 237 I C -0.539 175.594 176.117 0.027 0.000 1.025 237 I CA -0.567 60.739 61.300 0.010 0.000 1.197 237 I CB 1.207 39.225 38.000 0.031 0.000 1.358 237 I HN -0.186 nan 8.210 nan 0.000 0.467 238 D N 5.438 125.840 120.400 0.003 0.000 2.268 238 D HA 0.527 5.164 4.640 -0.004 0.000 0.249 238 D C -0.443 175.869 176.300 0.020 0.000 1.008 238 D CA -0.285 53.722 54.000 0.012 0.000 0.939 238 D CB 2.797 43.594 40.800 -0.005 0.000 1.170 238 D HN 0.046 nan 8.370 nan 0.000 0.468 239 V N 1.266 121.201 119.914 0.035 0.000 2.540 239 V HA 0.425 4.543 4.120 -0.004 0.000 0.302 239 V C -0.301 175.827 176.094 0.058 0.000 1.035 239 V CA -0.798 61.529 62.300 0.045 0.000 0.873 239 V CB 2.163 34.017 31.823 0.052 0.000 0.992 239 V HN 0.278 nan 8.190 nan 0.000 0.428 240 V N 5.828 125.789 119.914 0.079 0.000 2.680 240 V HA 0.601 4.719 4.120 -0.004 0.000 0.309 240 V C -0.456 175.728 176.094 0.149 0.000 1.052 240 V CA -0.429 61.945 62.300 0.124 0.000 0.908 240 V CB 2.478 34.396 31.823 0.159 0.000 1.001 240 V HN 0.631 nan 8.190 nan 0.000 0.431 241 V N 6.085 126.080 119.914 0.134 0.000 2.488 241 V HA 0.337 4.455 4.120 -0.004 0.000 0.277 241 V C -0.362 175.812 176.094 0.134 0.000 1.046 241 V CA -0.157 62.200 62.300 0.095 0.000 0.986 241 V CB 0.927 32.769 31.823 0.032 0.000 0.989 241 V HN 0.990 nan 8.190 nan 0.000 0.475 242 H N 7.096 126.131 119.070 -0.057 0.000 2.917 242 H HA 0.421 4.976 4.556 -0.002 0.000 0.279 242 H C -2.406 172.807 175.328 -0.192 0.000 1.211 242 H CA -1.873 54.040 56.048 -0.225 0.000 1.534 242 H CB 2.064 31.662 29.762 -0.273 0.000 1.581 242 H HN 0.312 nan 8.280 nan 0.000 0.510 243 P HA -0.146 nan 4.420 nan 0.000 0.221 243 P C 0.915 177.945 177.300 -0.451 0.000 1.145 243 P CA 1.100 64.002 63.100 -0.331 0.000 0.795 243 P CB 0.443 32.008 31.700 -0.225 0.000 0.775 244 Q N -1.481 117.865 119.800 -0.757 0.000 2.331 244 Q HA 0.106 4.443 4.340 -0.004 0.000 0.203 244 Q C 0.839 176.520 176.000 -0.532 0.000 0.944 244 Q CA 0.448 55.898 55.803 -0.588 0.000 0.892 244 Q CB -0.613 27.839 28.738 -0.476 0.000 0.983 244 Q HN -0.020 nan 8.270 nan 0.000 0.482 245 S N -0.580 114.756 115.700 -0.606 0.000 3.581 245 S HA -0.213 4.255 4.470 -0.004 0.000 0.354 245 S C 0.695 175.131 174.600 -0.274 0.000 1.059 245 S CA 0.636 58.723 58.200 -0.188 0.000 1.060 245 S CB -1.689 61.497 63.200 -0.024 0.000 0.908 245 S HN 0.400 nan 8.310 nan 0.000 0.475 246 I N -0.210 120.163 120.570 -0.327 0.000 2.729 246 I HA 0.112 4.280 4.170 -0.004 0.000 0.256 246 I C 0.902 176.506 176.117 -0.855 0.000 1.115 246 I CA 0.362 61.339 61.300 -0.538 0.000 1.446 246 I CB 0.099 37.776 38.000 -0.538 0.000 1.176 246 I HN 0.317 nan 8.210 nan 0.000 0.446 247 I N 2.464 122.603 120.570 -0.718 0.000 2.517 247 I HA -0.051 4.117 4.170 -0.004 0.000 0.285 247 I C 1.054 176.935 176.117 -0.392 0.000 1.106 247 I CA 0.691 61.620 61.300 -0.617 0.000 1.402 247 I CB 0.239 37.899 38.000 -0.567 0.000 1.399 247 I HN 0.335 nan 8.210 nan 0.000 0.535 248 H N 3.498 122.554 119.070 -0.023 0.000 2.648 248 H HA 0.333 4.884 4.556 -0.009 0.000 0.265 248 H C 0.318 175.646 175.328 -0.000 0.000 0.961 248 H CA 0.117 56.191 56.048 0.043 0.000 1.185 248 H CB 1.110 30.916 29.762 0.074 0.000 1.449 248 H HN 0.584 nan 8.280 nan 0.000 0.523 249 S N -0.561 115.171 115.700 0.053 0.000 2.707 249 S HA 0.370 4.838 4.470 -0.004 0.000 0.268 249 S C -1.391 173.187 174.600 -0.036 0.000 1.004 249 S CA -0.780 57.414 58.200 -0.010 0.000 0.902 249 S CB 1.401 64.575 63.200 -0.045 0.000 1.157 249 S HN 0.090 nan 8.310 nan 0.000 0.468 250 M N 1.364 120.920 119.600 -0.073 0.000 2.520 250 M HA 0.593 5.071 4.480 -0.004 0.000 0.283 250 M C -1.691 174.525 176.300 -0.141 0.000 1.237 250 M CA -0.734 54.514 55.300 -0.086 0.000 0.885 250 M CB 2.252 34.790 32.600 -0.103 0.000 1.727 250 M HN 0.361 nan 8.290 nan 0.000 0.468 251 V N 0.903 120.721 119.914 -0.159 0.000 2.487 251 V HA 0.482 4.599 4.120 -0.004 0.000 0.298 251 V C -0.389 175.487 176.094 -0.365 0.000 1.028 251 V CA -0.574 61.526 62.300 -0.333 0.000 0.860 251 V CB 2.010 33.547 31.823 -0.477 0.000 0.991 251 V HN 0.880 nan 8.190 nan 0.000 0.427 252 T N 5.748 120.081 114.554 -0.368 0.000 2.767 252 T HA 0.630 4.978 4.350 -0.004 0.000 0.288 252 T C -0.418 174.045 174.700 -0.395 0.000 0.963 252 T CA 0.077 62.030 62.100 -0.245 0.000 1.019 252 T CB 0.364 69.152 68.868 -0.132 0.000 0.923 252 T HN 0.286 nan 8.240 nan 0.000 0.468 253 F N 1.717 121.647 119.950 -0.034 0.000 2.411 253 F HA 0.418 4.942 4.527 -0.004 0.000 0.324 253 F C 1.885 177.673 175.800 -0.021 0.000 1.086 253 F CA -1.347 56.637 58.000 -0.026 0.000 1.028 253 F CB 0.582 39.568 39.000 -0.022 0.000 1.284 253 F HN 0.539 nan 8.300 nan 0.000 0.501 254 I N -1.459 119.221 120.570 0.184 0.000 2.916 254 I HA -0.133 4.035 4.170 -0.004 0.000 0.267 254 I C 1.159 177.320 176.117 0.072 0.000 1.263 254 I CA 1.144 62.498 61.300 0.090 0.000 1.471 254 I CB -0.573 37.471 38.000 0.074 0.000 1.089 254 I HN 0.548 nan 8.210 nan 0.000 0.468 255 D N 1.034 121.489 120.400 0.091 0.000 2.350 255 D HA 0.129 4.766 4.640 -0.004 0.000 0.213 255 D C 1.705 178.032 176.300 0.046 0.000 1.031 255 D CA 0.807 54.838 54.000 0.052 0.000 0.861 255 D CB 0.214 41.034 40.800 0.034 0.000 0.926 255 D HN 0.490 nan 8.370 nan 0.000 0.520 256 G N -0.353 108.483 108.800 0.062 0.000 2.201 256 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.212 256 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.212 256 G C 0.247 175.178 174.900 0.052 0.000 0.994 256 G CA 0.164 45.289 45.100 0.041 0.000 0.644 256 G HN 0.542 nan 8.290 nan 0.000 0.508 257 S N 0.715 116.470 115.700 0.092 0.000 2.548 257 S HA 0.620 5.088 4.470 -0.004 0.000 0.277 257 S C 0.356 175.063 174.600 0.179 0.000 1.315 257 S CA 0.869 59.133 58.200 0.107 0.000 1.050 257 S CB 0.823 64.071 63.200 0.080 0.000 0.918 257 S HN 0.444 nan 8.310 nan 0.000 0.497 258 T N 5.817 120.437 114.554 0.110 0.000 2.807 258 T HA 0.513 4.860 4.350 -0.004 0.000 0.279 258 T C -0.677 174.094 174.700 0.119 0.000 0.993 258 T CA -0.535 61.621 62.100 0.092 0.000 0.970 258 T CB 0.650 69.510 68.868 -0.014 0.000 0.950 258 T HN 0.460 nan 8.240 nan 0.000 0.441 259 I N 2.983 123.657 120.570 0.174 0.000 2.362 259 I HA 0.649 4.816 4.170 -0.004 0.000 0.289 259 I C 0.195 176.362 176.117 0.083 0.000 0.994 259 I CA -0.842 60.553 61.300 0.158 0.000 1.158 259 I CB 1.016 39.182 38.000 0.277 0.000 1.315 259 I HN 0.695 nan 8.210 nan 0.000 0.451 260 A N 6.711 129.569 122.820 0.064 0.000 2.380 260 A HA 0.683 5.000 4.320 -0.004 0.000 0.315 260 A C -0.690 176.929 177.584 0.058 0.000 1.101 260 A CA -0.577 51.480 52.037 0.034 0.000 0.771 260 A CB 2.274 21.282 19.000 0.013 0.000 1.287 260 A HN 0.648 nan 8.150 nan 0.000 0.436 261 Q N 0.614 120.441 119.800 0.046 0.000 2.312 261 Q HA 0.676 5.013 4.340 -0.004 0.000 0.263 261 Q C -1.179 174.845 176.000 0.040 0.000 0.995 261 Q CA -0.487 55.367 55.803 0.086 0.000 0.853 261 Q CB 1.894 30.708 28.738 0.127 0.000 1.300 261 Q HN 1.060 nan 8.270 nan 0.000 0.448 262 A N 2.478 125.333 122.820 0.058 0.000 2.422 262 A HA 0.810 5.128 4.320 -0.004 0.000 0.302 262 A C -1.197 176.449 177.584 0.104 0.000 1.041 262 A CA -0.253 51.738 52.037 -0.077 0.000 0.708 262 A CB 1.508 20.378 19.000 -0.217 0.000 1.257 262 A HN 0.826 nan 8.150 nan 0.000 0.414 263 S N 0.949 116.721 115.700 0.120 0.000 2.552 263 S HA 0.749 5.217 4.470 -0.004 0.000 0.272 263 S C -3.453 171.249 174.600 0.170 0.000 1.150 263 S CA -1.304 57.007 58.200 0.185 0.000 0.849 263 S CB 1.241 64.577 63.200 0.226 0.000 1.113 263 S HN 0.347 nan 8.310 nan 0.000 0.458 264 P HA 0.275 nan 4.420 nan 0.000 0.265 264 P C -2.577 174.726 177.300 0.005 0.000 1.193 264 P CA -0.570 62.526 63.100 -0.006 0.000 0.765 264 P CB -0.619 31.063 31.700 -0.031 0.000 0.823 265 P HA 0.084 nan 4.420 nan 0.000 0.263 265 P C -0.710 176.426 177.300 -0.273 0.000 1.195 265 P CA 0.983 63.825 63.100 -0.431 0.000 0.762 265 P CB 0.209 31.201 31.700 -1.180 0.000 0.799 266 D N 3.733 124.167 120.400 0.057 0.000 2.400 266 D HA 0.059 4.697 4.640 -0.004 0.000 0.197 266 D C 0.557 177.010 176.300 0.255 0.000 1.295 266 D CA -0.314 53.777 54.000 0.152 0.000 0.878 266 D CB 0.711 41.549 40.800 0.063 0.000 1.659 266 D HN -0.029 nan 8.370 nan 0.000 0.546 267 M N 2.420 122.201 119.600 0.301 0.000 2.460 267 M HA 0.003 4.481 4.480 -0.004 0.000 0.263 267 M C 1.512 177.849 176.300 0.061 0.000 1.071 267 M CA 0.898 56.281 55.300 0.139 0.000 1.096 267 M CB -0.406 32.233 32.600 0.066 0.000 1.408 267 M HN 0.416 nan 8.290 nan 0.000 0.463 268 K N -0.089 120.353 120.400 0.069 0.000 2.209 268 K HA -0.162 4.156 4.320 -0.004 0.000 0.204 268 K C 1.855 178.485 176.600 0.049 0.000 1.048 268 K CA 0.784 57.097 56.287 0.043 0.000 0.940 268 K CB -0.208 32.319 32.500 0.045 0.000 0.729 268 K HN 0.157 nan 8.250 nan 0.000 0.451 269 L N 1.987 123.247 121.223 0.061 0.000 1.973 269 L HA -0.086 4.251 4.340 -0.004 0.000 0.208 269 L C -1.273 175.636 176.870 0.065 0.000 1.073 269 L CA 1.792 56.672 54.840 0.067 0.000 0.746 269 L CB -1.047 41.054 42.059 0.069 0.000 0.891 269 L HN 0.024 nan 8.230 nan 0.000 0.433 270 P HA -0.158 nan 4.420 nan 0.000 0.217 270 P C 2.190 179.507 177.300 0.030 0.000 1.150 270 P CA 1.751 64.872 63.100 0.035 0.000 0.832 270 P CB -0.092 31.593 31.700 -0.025 0.000 0.787 271 I N 0.837 121.408 120.570 0.001 0.000 2.163 271 I HA -0.272 3.896 4.170 -0.004 0.000 0.243 271 I C 2.734 178.838 176.117 -0.021 0.000 1.085 271 I CA 2.257 63.541 61.300 -0.027 0.000 1.347 271 I CB -0.915 37.058 38.000 -0.045 0.000 1.044 271 I HN 0.088 nan 8.210 nan 0.000 0.408 272 S N 1.012 116.724 115.700 0.019 0.000 2.382 272 S HA -0.139 4.329 4.470 -0.004 0.000 0.228 272 S C 2.045 176.733 174.600 0.147 0.000 1.027 272 S CA 0.906 59.142 58.200 0.060 0.000 0.991 272 S CB -0.805 62.462 63.200 0.112 0.000 0.823 272 S HN 0.410 nan 8.310 nan 0.000 0.469 273 L N 1.018 122.342 121.223 0.167 0.000 2.093 273 L HA 0.017 4.355 4.340 -0.004 0.000 0.208 273 L C 3.126 180.208 176.870 0.353 0.000 1.085 273 L CA 1.125 56.130 54.840 0.276 0.000 0.755 273 L CB -0.696 41.558 42.059 0.325 0.000 0.904 273 L HN 0.506 nan 8.230 nan 0.000 0.435 274 A N -0.265 122.673 122.820 0.197 0.000 1.930 274 A HA -0.136 4.182 4.320 -0.004 0.000 0.217 274 A C 2.165 179.819 177.584 0.117 0.000 1.175 274 A CA 1.192 53.301 52.037 0.120 0.000 0.627 274 A CB -0.471 18.531 19.000 0.003 0.000 0.815 274 A HN 0.378 nan 8.150 nan 0.000 0.443 275 L N -1.349 119.909 121.223 0.059 0.000 2.131 275 L HA -0.002 4.336 4.340 -0.004 0.000 0.206 275 L C 2.318 179.351 176.870 0.271 0.000 1.087 275 L CA 1.086 55.921 54.840 -0.009 0.000 0.767 275 L CB -0.313 41.468 42.059 -0.463 0.000 0.917 275 L HN 0.488 nan 8.230 nan 0.000 0.441 276 G N -2.234 106.803 108.800 0.395 0.000 3.393 276 G HA2 -0.064 3.893 3.960 -0.004 0.000 0.255 276 G HA3 -0.064 3.893 3.960 -0.004 0.000 0.255 276 G C 0.194 175.249 174.900 0.258 0.000 1.097 276 G CA -0.514 44.833 45.100 0.411 0.000 0.780 276 G HN 0.148 nan 8.290 nan 0.000 0.540 277 W N 2.577 123.942 121.300 0.109 0.000 2.484 277 W HA 0.027 4.683 4.660 -0.007 0.000 0.337 277 W C -1.478 175.077 176.519 0.061 0.000 1.214 277 W CA -0.676 56.713 57.345 0.073 0.000 1.296 277 W CB 1.018 30.511 29.460 0.055 0.000 1.174 277 W HN 0.142 nan 8.180 nan 0.000 0.564 278 P HA 0.079 nan 4.420 nan 0.000 0.255 278 P C -0.098 176.831 177.300 -0.618 0.000 1.248 278 P CA 0.450 62.874 63.100 -1.128 0.000 0.807 278 P CB 0.191 31.398 31.700 -0.823 0.000 1.150 279 R N 1.087 121.430 120.500 -0.262 0.000 2.298 279 R HA 0.308 4.645 4.340 -0.004 0.000 0.310 279 R C 0.562 176.816 176.300 -0.076 0.000 1.068 279 R CA -0.429 55.582 56.100 -0.148 0.000 0.957 279 R CB 0.939 31.190 30.300 -0.082 0.000 1.003 279 R HN 0.103 nan 8.270 nan 0.000 0.454 280 R N 1.391 121.848 120.500 -0.072 0.000 2.594 280 R HA 0.147 4.484 4.340 -0.004 0.000 0.272 280 R C -0.371 175.946 176.300 0.028 0.000 1.074 280 R CA -0.293 55.804 56.100 -0.005 0.000 1.105 280 R CB 0.773 31.067 30.300 -0.009 0.000 1.008 280 R HN 0.254 nan 8.270 nan 0.000 0.472 281 V N 2.402 122.361 119.914 0.076 0.000 2.333 281 V HA 0.040 4.158 4.120 -0.004 0.000 0.274 281 V C 0.460 176.596 176.094 0.071 0.000 1.028 281 V CA -0.343 62.013 62.300 0.093 0.000 0.851 281 V CB 1.315 33.252 31.823 0.190 0.000 1.000 281 V HN 0.786 nan 8.190 nan 0.000 0.456 282 S N 4.392 120.118 115.700 0.043 0.000 2.544 282 S HA 0.350 4.818 4.470 -0.004 0.000 0.290 282 S C 1.388 176.017 174.600 0.048 0.000 1.276 282 S CA 0.894 59.116 58.200 0.037 0.000 1.075 282 S CB -0.015 63.197 63.200 0.021 0.000 0.849 282 S HN 1.840 nan 8.310 nan 0.000 0.494 283 G N 3.393 112.221 108.800 0.048 0.000 2.162 283 G HA2 -0.272 3.686 3.960 -0.004 0.000 0.260 283 G HA3 -0.272 3.686 3.960 -0.004 0.000 0.260 283 G C 1.000 175.933 174.900 0.055 0.000 0.976 283 G CA 0.489 45.617 45.100 0.047 0.000 0.655 283 G HN 1.386 nan 8.290 nan 0.000 0.533 284 A N -0.754 122.105 122.820 0.066 0.000 1.948 284 A HA 0.479 4.797 4.320 -0.004 0.000 0.220 284 A C 1.603 179.223 177.584 0.060 0.000 1.177 284 A CA 2.652 54.732 52.037 0.072 0.000 0.636 284 A CB -0.173 18.877 19.000 0.084 0.000 0.815 284 A HN 2.438 nan 8.150 nan 0.000 0.449 285 A N -2.967 119.887 122.820 0.057 0.000 2.612 285 A HA 0.678 4.995 4.320 -0.004 0.000 0.293 285 A C -0.146 177.465 177.584 0.045 0.000 1.075 285 A CA -0.142 51.926 52.037 0.051 0.000 0.680 285 A CB 0.111 19.147 19.000 0.060 0.000 1.279 285 A HN 1.554 nan 8.150 nan 0.000 0.411 286 A N 0.374 123.214 122.820 0.033 0.000 2.462 286 A HA 0.610 4.927 4.320 -0.004 0.000 0.243 286 A C 0.746 178.346 177.584 0.027 0.000 1.076 286 A CA 0.505 52.556 52.037 0.023 0.000 0.773 286 A CB -0.200 18.805 19.000 0.007 0.000 1.010 286 A HN 2.373 nan 8.150 nan 0.000 0.493 287 A N 1.221 124.054 122.820 0.022 0.000 2.271 287 A HA 0.487 4.805 4.320 -0.004 0.000 0.288 287 A C 0.467 178.022 177.584 -0.047 0.000 1.094 287 A CA -0.352 51.698 52.037 0.021 0.000 0.828 287 A CB -0.052 18.974 19.000 0.043 0.000 1.091 287 A HN 1.006 nan 8.150 nan 0.000 0.493 288 C N 1.346 120.594 119.300 -0.087 0.000 2.611 288 C HA 0.174 4.632 4.460 -0.004 0.000 0.416 288 C C 0.561 175.226 174.990 -0.542 0.000 1.366 288 C CA 0.448 59.277 59.018 -0.315 0.000 1.761 288 C CB -0.874 26.637 27.740 -0.382 0.000 2.619 288 C HN 0.797 nan 8.230 nan 0.000 0.606 289 D N 1.422 121.515 120.400 -0.512 0.000 2.427 289 D HA 0.311 4.949 4.640 -0.004 0.000 0.226 289 D C -0.052 175.966 176.300 -0.469 0.000 1.076 289 D CA -0.475 53.307 54.000 -0.364 0.000 0.849 289 D CB 0.206 40.924 40.800 -0.137 0.000 1.052 289 D HN 0.482 nan 8.370 nan 0.000 0.515 290 F N 1.456 121.321 119.950 -0.142 0.000 2.692 290 F HA 0.157 4.686 4.527 0.003 0.000 0.303 290 F C 1.436 177.103 175.800 -0.222 0.000 1.114 290 F CA -0.092 57.800 58.000 -0.180 0.000 1.361 290 F CB 0.118 39.010 39.000 -0.182 0.000 1.063 290 F HN 0.510 nan 8.300 nan 0.000 0.550 291 H N -1.778 117.347 119.070 0.092 0.000 2.539 291 H HA 0.132 4.685 4.556 -0.005 0.000 0.269 291 H C 0.674 176.018 175.328 0.027 0.000 0.980 291 H CA 0.226 56.308 56.048 0.056 0.000 1.152 291 H CB 0.491 30.276 29.762 0.038 0.000 1.407 291 H HN -0.011 nan 8.280 nan 0.000 0.564 292 T N 0.185 114.793 114.554 0.089 0.000 2.900 292 T HA 0.617 4.965 4.350 -0.004 0.000 0.295 292 T C -0.565 174.149 174.700 0.023 0.000 1.044 292 T CA -0.717 61.411 62.100 0.047 0.000 0.995 292 T CB 1.005 69.888 68.868 0.025 0.000 1.072 292 T HN 0.274 nan 8.240 nan 0.000 0.473 293 A N 2.750 125.579 122.820 0.015 0.000 2.483 293 A HA 0.643 4.960 4.320 -0.004 0.000 0.238 293 A C 0.415 177.991 177.584 -0.014 0.000 1.070 293 A CA 0.139 52.175 52.037 -0.002 0.000 0.770 293 A CB -0.236 18.762 19.000 -0.004 0.000 1.008 293 A HN 1.351 nan 8.150 nan 0.000 0.497 294 S N -0.039 115.637 115.700 -0.039 0.000 2.588 294 S HA 0.782 5.249 4.470 -0.004 0.000 0.269 294 S C -0.710 173.832 174.600 -0.096 0.000 1.157 294 S CA -0.056 58.120 58.200 -0.039 0.000 0.824 294 S CB 1.231 64.427 63.200 -0.005 0.000 1.126 294 S HN 2.099 nan 8.310 nan 0.000 0.464 295 S N 0.278 115.957 115.700 -0.034 0.000 2.541 295 S HA 0.762 5.230 4.470 -0.004 0.000 0.280 295 S C -1.859 172.847 174.600 0.177 0.000 1.112 295 S CA -0.714 57.464 58.200 -0.037 0.000 0.925 295 S CB 0.795 63.995 63.200 -0.001 0.000 1.067 295 S HN 0.758 nan 8.310 nan 0.000 0.479 296 W N 1.839 123.173 121.300 0.057 0.000 2.329 296 W HA 0.504 5.162 4.660 -0.004 0.000 0.312 296 W C 0.043 176.493 176.519 -0.115 0.000 1.054 296 W CA -1.090 56.281 57.345 0.042 0.000 1.245 296 W CB 0.290 29.827 29.460 0.127 0.000 1.255 296 W HN 0.752 nan 8.180 nan 0.000 0.436 297 E N 2.124 122.307 120.200 -0.029 0.000 2.204 297 E HA 0.570 4.918 4.350 -0.004 0.000 0.276 297 E C -1.194 175.175 176.600 -0.384 0.000 0.974 297 E CA -0.704 55.639 56.400 -0.095 0.000 0.815 297 E CB 1.557 31.233 29.700 -0.039 0.000 1.119 297 E HN 0.077 nan 8.360 nan 0.000 0.393 298 F N 1.397 121.455 119.950 0.181 0.000 2.551 298 F HA 0.336 4.863 4.527 -0.001 0.000 0.316 298 F C 0.038 175.892 175.800 0.090 0.000 1.089 298 F CA -0.804 57.276 58.000 0.133 0.000 0.915 298 F CB 1.816 40.865 39.000 0.082 0.000 1.186 298 F HN 0.367 nan 8.300 nan 0.000 0.456 299 E N 2.019 122.357 120.200 0.229 0.000 2.390 299 E HA 0.518 4.865 4.350 -0.004 0.000 0.277 299 E C -3.254 173.424 176.600 0.131 0.000 0.939 299 E CA -2.536 53.955 56.400 0.151 0.000 0.769 299 E CB 2.499 32.260 29.700 0.102 0.000 1.251 299 E HN 0.130 nan 8.360 nan 0.000 0.450 300 P HA 0.039 nan 4.420 nan 0.000 0.271 300 P C -0.415 176.940 177.300 0.090 0.000 1.218 300 P CA -0.615 62.542 63.100 0.094 0.000 0.780 300 P CB 0.610 32.359 31.700 0.083 0.000 0.901 301 L N 2.492 123.766 121.223 0.085 0.000 2.453 301 L HA 0.147 4.484 4.340 -0.004 0.000 0.272 301 L C 0.348 177.295 176.870 0.129 0.000 1.182 301 L CA 0.344 55.236 54.840 0.086 0.000 0.858 301 L CB -0.545 41.559 42.059 0.076 0.000 1.120 301 L HN 0.266 nan 8.230 nan 0.000 0.474 302 D N 2.468 122.981 120.400 0.189 0.000 2.402 302 D HA 0.040 4.678 4.640 -0.004 0.000 0.235 302 D C 1.072 177.531 176.300 0.264 0.000 1.226 302 D CA 0.440 54.578 54.000 0.231 0.000 0.918 302 D CB 0.768 41.745 40.800 0.295 0.000 1.043 302 D HN 0.751 nan 8.370 nan 0.000 0.506 303 T N 0.067 114.724 114.554 0.172 0.000 3.085 303 T HA -0.089 4.259 4.350 -0.004 0.000 0.263 303 T C 1.137 175.903 174.700 0.110 0.000 1.127 303 T CA 0.337 62.528 62.100 0.151 0.000 1.103 303 T CB 0.229 69.160 68.868 0.105 0.000 0.921 303 T HN 0.110 nan 8.240 nan 0.000 0.510 304 D N 1.627 122.081 120.400 0.090 0.000 2.084 304 D HA -0.036 4.601 4.640 -0.004 0.000 0.196 304 D C 2.233 178.529 176.300 -0.007 0.000 0.985 304 D CA 0.931 54.956 54.000 0.042 0.000 0.826 304 D CB -0.385 40.439 40.800 0.039 0.000 0.978 304 D HN 0.336 nan 8.370 nan 0.000 0.456 305 V N -0.406 119.496 119.914 -0.021 0.000 2.719 305 V HA -0.050 4.068 4.120 -0.004 0.000 0.252 305 V C 0.449 176.229 176.094 -0.524 0.000 1.065 305 V CA 0.830 62.976 62.300 -0.257 0.000 1.086 305 V CB -0.259 31.416 31.823 -0.246 0.000 0.700 305 V HN 0.031 nan 8.190 nan 0.000 0.467 306 F N 1.250 121.240 119.950 0.067 0.000 2.564 306 F HA 0.411 4.937 4.527 -0.002 0.000 0.361 306 F C -1.863 173.967 175.800 0.050 0.000 1.161 306 F CA -1.742 56.296 58.000 0.063 0.000 1.198 306 F CB 1.345 40.396 39.000 0.085 0.000 1.424 306 F HN 0.019 nan 8.300 nan 0.000 0.517 307 P HA 0.075 nan 4.420 nan 0.000 0.255 307 P C 1.282 178.654 177.300 0.120 0.000 1.248 307 P CA 0.440 63.601 63.100 0.102 0.000 0.807 307 P CB 0.453 32.181 31.700 0.047 0.000 1.150 308 A N 0.414 123.325 122.820 0.151 0.000 1.978 308 A HA -0.123 4.195 4.320 -0.004 0.000 0.220 308 A C 2.223 179.928 177.584 0.203 0.000 1.170 308 A CA 1.729 53.874 52.037 0.181 0.000 0.636 308 A CB -1.483 17.616 19.000 0.165 0.000 0.810 308 A HN 0.104 nan 8.150 nan 0.000 0.448 309 V N -0.355 119.646 119.914 0.145 0.000 2.379 309 V HA -0.141 3.976 4.120 -0.004 0.000 0.245 309 V C 2.552 178.671 176.094 0.041 0.000 1.044 309 V CA 1.833 64.188 62.300 0.092 0.000 1.036 309 V CB -0.610 31.266 31.823 0.089 0.000 0.664 309 V HN 0.468 nan 8.190 nan 0.000 0.453 310 E N 0.260 120.492 120.200 0.053 0.000 2.110 310 E HA -0.145 4.202 4.350 -0.004 0.000 0.193 310 E C 2.208 178.803 176.600 -0.008 0.000 0.988 310 E CA 1.108 57.519 56.400 0.018 0.000 0.804 310 E CB -0.263 29.457 29.700 0.035 0.000 0.745 310 E HN 0.507 nan 8.360 nan 0.000 0.458 311 L N 0.086 121.339 121.223 0.051 0.000 2.083 311 L HA -0.180 4.158 4.340 -0.004 0.000 0.209 311 L C 2.483 179.331 176.870 -0.038 0.000 1.083 311 L CA 1.089 55.982 54.840 0.088 0.000 0.752 311 L CB -0.462 41.736 42.059 0.232 0.000 0.899 311 L HN 0.071 nan 8.230 nan 0.000 0.433 312 A N 0.016 122.719 122.820 -0.195 0.000 1.902 312 A HA -0.213 4.105 4.320 -0.004 0.000 0.217 312 A C 2.375 179.650 177.584 -0.515 0.000 1.181 312 A CA 1.445 53.088 52.037 -0.657 0.000 0.623 312 A CB -0.452 18.238 19.000 -0.517 0.000 0.818 312 A HN 0.310 nan 8.150 nan 0.000 0.443 313 R N -0.689 119.590 120.500 -0.368 0.000 2.073 313 R HA -0.162 4.176 4.340 -0.004 0.000 0.234 313 R C 2.521 178.490 176.300 -0.550 0.000 1.134 313 R CA 1.770 57.545 56.100 -0.541 0.000 0.952 313 R CB -0.380 29.790 30.300 -0.216 0.000 0.850 313 R HN 0.703 nan 8.270 nan 0.000 0.433 314 Q N -0.011 119.615 119.800 -0.291 0.000 2.061 314 Q HA -0.143 4.195 4.340 -0.004 0.000 0.204 314 Q C 2.218 178.089 176.000 -0.214 0.000 0.984 314 Q CA 1.717 57.402 55.803 -0.197 0.000 0.846 314 Q CB -0.198 28.492 28.738 -0.081 0.000 0.902 314 Q HN 0.360 nan 8.270 nan 0.000 0.421 315 A N 0.942 123.631 122.820 -0.219 0.000 1.902 315 A HA -0.133 4.184 4.320 -0.004 0.000 0.217 315 A C 2.309 179.742 177.584 -0.253 0.000 1.181 315 A CA 1.703 53.637 52.037 -0.172 0.000 0.623 315 A CB -1.299 17.619 19.000 -0.138 0.000 0.818 315 A HN 0.493 nan 8.150 nan 0.000 0.443 316 G N -0.678 107.824 108.800 -0.498 0.000 2.418 316 G HA2 -0.124 3.834 3.960 -0.004 0.000 0.217 316 G HA3 -0.124 3.834 3.960 -0.004 0.000 0.217 316 G C 1.519 176.166 174.900 -0.422 0.000 1.158 316 G CA 1.243 45.991 45.100 -0.587 0.000 0.771 316 G HN 0.321 nan 8.290 nan 0.000 0.545 317 V N 1.482 121.081 119.914 -0.526 0.000 2.358 317 V HA -0.108 4.010 4.120 -0.004 0.000 0.246 317 V C 3.327 179.363 176.094 -0.096 0.000 1.047 317 V CA 1.942 64.112 62.300 -0.218 0.000 1.035 317 V CB -0.744 30.966 31.823 -0.188 0.000 0.658 317 V HN 0.477 nan 8.190 nan 0.000 0.452 318 A N -0.829 121.928 122.820 -0.104 0.000 1.940 318 A HA 0.199 4.516 4.320 -0.004 0.000 0.219 318 A C 1.734 179.309 177.584 -0.016 0.000 1.176 318 A CA 1.737 53.745 52.037 -0.048 0.000 0.631 318 A CB -0.994 17.982 19.000 -0.040 0.000 0.814 318 A HN 1.203 nan 8.150 nan 0.000 0.446 319 G N -2.689 106.104 108.800 -0.012 0.000 2.645 319 G HA2 0.236 4.194 3.960 -0.004 0.000 0.239 319 G HA3 0.236 4.194 3.960 -0.004 0.000 0.239 319 G C 1.287 176.215 174.900 0.047 0.000 1.331 319 G CA 0.747 45.868 45.100 0.035 0.000 0.890 319 G HN 2.328 nan 8.290 nan 0.000 0.572 320 G N -1.984 106.850 108.800 0.057 0.000 2.596 320 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.304 320 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.304 320 G C 1.373 176.320 174.900 0.078 0.000 1.189 320 G CA 1.813 46.951 45.100 0.064 0.000 0.986 320 G HN 2.166 nan 8.290 nan 0.000 0.548 321 C N 0.278 119.649 119.300 0.119 0.000 2.693 321 C HA 0.463 4.920 4.460 -0.004 0.000 0.286 321 C C 2.480 177.527 174.990 0.096 0.000 1.277 321 C CA 1.015 60.099 59.018 0.109 0.000 1.705 321 C CB -0.830 27.012 27.740 0.171 0.000 1.879 321 C HN 0.566 nan 8.230 nan 0.000 0.607 322 M N 1.951 121.614 119.600 0.106 0.000 2.296 322 M HA -0.091 4.387 4.480 -0.004 0.000 0.265 322 M C 2.382 178.735 176.300 0.088 0.000 1.064 322 M CA 1.862 57.223 55.300 0.102 0.000 1.109 322 M CB -0.495 32.147 32.600 0.069 0.000 1.396 322 M HN 0.513 nan 8.290 nan 0.000 0.430 323 T N -2.721 111.867 114.554 0.057 0.000 2.942 323 T HA 0.128 4.476 4.350 -0.004 0.000 0.265 323 T C 1.919 176.680 174.700 0.101 0.000 1.062 323 T CA 0.867 63.002 62.100 0.059 0.000 1.139 323 T CB -0.839 68.038 68.868 0.015 0.000 0.883 323 T HN 0.316 nan 8.240 nan 0.000 0.468 324 A N 1.420 124.272 122.820 0.053 0.000 1.908 324 A HA 0.034 4.352 4.320 -0.004 0.000 0.218 324 A C 2.591 180.185 177.584 0.017 0.000 1.181 324 A CA 1.629 53.676 52.037 0.017 0.000 0.627 324 A CB -1.171 17.807 19.000 -0.036 0.000 0.818 324 A HN 0.402 nan 8.150 nan 0.000 0.445 325 V N -1.437 118.495 119.914 0.031 0.000 2.261 325 V HA -0.299 3.818 4.120 -0.004 0.000 0.246 325 V C 2.320 178.480 176.094 0.110 0.000 1.047 325 V CA 2.148 64.488 62.300 0.066 0.000 1.015 325 V CB -1.119 30.785 31.823 0.134 0.000 0.642 325 V HN 0.712 nan 8.190 nan 0.000 0.446 326 Y N 1.811 122.122 120.300 0.018 0.000 2.081 326 Y HA -0.365 4.182 4.550 -0.005 0.000 0.280 326 Y C 2.579 178.475 175.900 -0.006 0.000 1.163 326 Y CA 2.551 60.657 58.100 0.008 0.000 1.135 326 Y CB -0.430 38.031 38.460 0.000 0.000 0.970 326 Y HN 0.388 nan 8.280 nan 0.000 0.498 327 N N 0.082 118.885 118.700 0.172 0.000 2.084 327 N HA -0.172 4.565 4.740 -0.004 0.000 0.190 327 N C 1.823 177.307 175.510 -0.043 0.000 1.030 327 N CA 1.729 54.812 53.050 0.054 0.000 0.849 327 N CB -0.578 37.966 38.487 0.095 0.000 1.012 327 N HN 0.474 nan 8.380 nan 0.000 0.423 328 A N 0.141 122.942 122.820 -0.032 0.000 1.930 328 A HA 0.132 4.450 4.320 -0.004 0.000 0.217 328 A C 2.319 179.853 177.584 -0.084 0.000 1.175 328 A CA 1.668 53.671 52.037 -0.056 0.000 0.627 328 A CB -1.155 17.810 19.000 -0.059 0.000 0.815 328 A HN 0.443 nan 8.150 nan 0.000 0.443 329 A N 0.473 123.236 122.820 -0.096 0.000 1.902 329 A HA -0.230 4.087 4.320 -0.004 0.000 0.217 329 A C 1.952 179.444 177.584 -0.154 0.000 1.181 329 A CA 2.126 54.089 52.037 -0.123 0.000 0.623 329 A CB -0.798 18.135 19.000 -0.111 0.000 0.818 329 A HN 0.643 nan 8.150 nan 0.000 0.443 330 N N -0.019 118.555 118.700 -0.211 0.000 2.069 330 N HA -0.198 4.539 4.740 -0.004 0.000 0.191 330 N C 1.626 177.064 175.510 -0.119 0.000 1.031 330 N CA 2.068 54.994 53.050 -0.208 0.000 0.852 330 N CB -0.313 38.016 38.487 -0.263 0.000 1.018 330 N HN 0.638 nan 8.380 nan 0.000 0.423 331 E N -0.358 119.789 120.200 -0.088 0.000 2.085 331 E HA -0.193 4.155 4.350 -0.004 0.000 0.194 331 E C 1.679 178.254 176.600 -0.042 0.000 0.994 331 E CA 1.093 57.463 56.400 -0.051 0.000 0.801 331 E CB -0.082 29.593 29.700 -0.041 0.000 0.743 331 E HN 0.479 nan 8.360 nan 0.000 0.453 332 E N 0.509 120.674 120.200 -0.059 0.000 2.046 332 E HA -0.116 4.232 4.350 -0.004 0.000 0.190 332 E C 2.102 178.678 176.600 -0.040 0.000 0.982 332 E CA 0.997 57.366 56.400 -0.052 0.000 0.800 332 E CB -0.297 29.358 29.700 -0.074 0.000 0.756 332 E HN 0.240 nan 8.360 nan 0.000 0.449 333 A N 1.651 124.436 122.820 -0.058 0.000 1.930 333 A HA -0.042 4.276 4.320 -0.004 0.000 0.217 333 A C 2.422 180.010 177.584 0.006 0.000 1.175 333 A CA 1.951 53.961 52.037 -0.046 0.000 0.627 333 A CB -0.545 18.397 19.000 -0.096 0.000 0.815 333 A HN 0.255 nan 8.150 nan 0.000 0.443 334 A N -0.120 122.698 122.820 -0.003 0.000 1.902 334 A HA 0.172 4.489 4.320 -0.004 0.000 0.217 334 A C 2.482 180.146 177.584 0.132 0.000 1.181 334 A CA 2.014 54.092 52.037 0.068 0.000 0.623 334 A CB -0.936 18.080 19.000 0.027 0.000 0.818 334 A HN 1.013 nan 8.150 nan 0.000 0.443 335 A N -0.155 122.703 122.820 0.064 0.000 1.898 335 A HA 0.197 4.515 4.320 -0.004 0.000 0.216 335 A C 2.491 180.104 177.584 0.049 0.000 1.181 335 A CA 1.940 54.006 52.037 0.049 0.000 0.620 335 A CB -0.974 18.036 19.000 0.016 0.000 0.819 335 A HN 1.039 nan 8.150 nan 0.000 0.442 336 A N -1.084 121.767 122.820 0.051 0.000 1.933 336 A HA -0.048 4.269 4.320 -0.004 0.000 0.218 336 A C 2.031 179.666 177.584 0.085 0.000 1.175 336 A CA 1.638 53.704 52.037 0.047 0.000 0.628 336 A CB -0.696 18.325 19.000 0.035 0.000 0.814 336 A HN 0.735 nan 8.150 nan 0.000 0.444 337 F N 0.593 120.546 119.950 0.005 0.000 2.113 337 F HA -0.088 4.435 4.527 -0.007 0.000 0.297 337 F C 1.825 177.660 175.800 0.058 0.000 1.103 337 F CA 1.610 59.632 58.000 0.037 0.000 1.248 337 F CB -0.325 38.704 39.000 0.049 0.000 0.999 337 F HN 0.124 nan 8.300 nan 0.000 0.475 338 L N 0.025 121.191 121.223 -0.095 0.000 2.191 338 L HA -0.133 4.204 4.340 -0.004 0.000 0.212 338 L C 2.530 179.305 176.870 -0.158 0.000 1.103 338 L CA 1.053 55.791 54.840 -0.169 0.000 0.769 338 L CB -1.017 41.059 42.059 0.028 0.000 0.908 338 L HN 0.287 nan 8.230 nan 0.000 0.438 339 A N -0.649 122.114 122.820 -0.096 0.000 2.208 339 A HA 0.285 4.602 4.320 -0.004 0.000 0.209 339 A C 1.713 179.245 177.584 -0.086 0.000 1.161 339 A CA 0.747 52.743 52.037 -0.069 0.000 0.782 339 A CB -0.271 18.710 19.000 -0.032 0.000 0.816 339 A HN 0.506 nan 8.150 nan 0.000 0.477 340 G N -0.834 107.882 108.800 -0.141 0.000 2.132 340 G HA2 -0.283 3.674 3.960 -0.004 0.000 0.234 340 G HA3 -0.283 3.674 3.960 -0.004 0.000 0.234 340 G C 0.955 175.825 174.900 -0.051 0.000 0.989 340 G CA 0.775 45.800 45.100 -0.125 0.000 0.676 340 G HN 0.578 nan 8.290 nan 0.000 0.522 341 R N 0.597 121.083 120.500 -0.024 0.000 2.127 341 R HA 0.404 4.742 4.340 -0.004 0.000 0.217 341 R C 1.433 177.754 176.300 0.036 0.000 1.074 341 R CA 1.684 57.788 56.100 0.006 0.000 0.991 341 R CB -0.162 30.140 30.300 0.004 0.000 0.895 341 R HN 1.006 nan 8.270 nan 0.000 0.450 342 I N -3.057 117.561 120.570 0.079 0.000 3.002 342 I HA 0.714 4.882 4.170 -0.004 0.000 0.310 342 I C 0.271 176.532 176.117 0.239 0.000 1.087 342 I CA -1.521 59.851 61.300 0.120 0.000 1.017 342 I CB 2.010 40.067 38.000 0.094 0.000 1.226 342 I HN -0.001 nan 8.210 nan 0.000 0.443 343 G N 0.919 109.843 108.800 0.206 0.000 2.562 343 G HA2 0.246 4.204 3.960 -0.004 0.000 0.275 343 G HA3 0.246 4.204 3.960 -0.004 0.000 0.275 343 G C -0.094 174.970 174.900 0.273 0.000 1.196 343 G CA -0.440 44.833 45.100 0.288 0.000 0.908 343 G HN 0.760 nan 8.290 nan 0.000 0.524 344 F N 1.539 121.509 119.950 0.035 0.000 2.102 344 F HA 0.011 4.535 4.527 -0.005 0.000 0.298 344 F C 0.066 175.688 175.800 -0.297 0.000 1.105 344 F CA 1.505 59.254 58.000 -0.419 0.000 1.239 344 F CB -0.474 38.258 39.000 -0.447 0.000 0.991 344 F HN 0.289 nan 8.300 nan 0.000 0.474 345 P HA -0.131 nan 4.420 nan 0.000 0.219 345 P C 1.285 178.459 177.300 -0.210 0.000 1.146 345 P CA 1.873 64.859 63.100 -0.191 0.000 0.808 345 P CB -0.368 31.274 31.700 -0.096 0.000 0.779 346 A N -0.918 121.809 122.820 -0.156 0.000 2.066 346 A HA -0.105 4.213 4.320 -0.004 0.000 0.218 346 A C 2.074 179.561 177.584 -0.161 0.000 1.157 346 A CA 0.815 52.782 52.037 -0.116 0.000 0.670 346 A CB -1.377 17.597 19.000 -0.042 0.000 0.804 346 A HN 0.126 nan 8.150 nan 0.000 0.453 347 I N -0.648 119.760 120.570 -0.270 0.000 2.099 347 I HA -0.225 3.943 4.170 -0.004 0.000 0.239 347 I C 2.230 178.198 176.117 -0.248 0.000 1.066 347 I CA 1.400 62.528 61.300 -0.287 0.000 1.324 347 I CB -0.451 37.273 38.000 -0.461 0.000 1.037 347 I HN 0.140 nan 8.210 nan 0.000 0.401 348 V N 0.992 120.742 119.914 -0.272 0.000 2.667 348 V HA -0.098 4.020 4.120 -0.004 0.000 0.252 348 V C 2.509 178.523 176.094 -0.132 0.000 1.065 348 V CA 1.772 63.957 62.300 -0.192 0.000 1.083 348 V CB -1.024 30.700 31.823 -0.165 0.000 0.692 348 V HN 0.573 nan 8.190 nan 0.000 0.468 349 G N 0.166 108.886 108.800 -0.133 0.000 2.421 349 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.216 349 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.216 349 G C 1.584 176.437 174.900 -0.078 0.000 1.171 349 G CA 1.001 46.045 45.100 -0.093 0.000 0.775 349 G HN 0.476 nan 8.290 nan 0.000 0.543 350 I N 0.587 121.101 120.570 -0.093 0.000 2.226 350 I HA -0.130 4.037 4.170 -0.004 0.000 0.245 350 I C 2.671 178.743 176.117 -0.076 0.000 1.100 350 I CA 0.704 61.956 61.300 -0.081 0.000 1.374 350 I CB -0.162 37.785 38.000 -0.088 0.000 1.057 350 I HN 0.155 nan 8.210 nan 0.000 0.413 351 I N 0.689 121.193 120.570 -0.110 0.000 2.151 351 I HA -0.369 3.798 4.170 -0.004 0.000 0.243 351 I C 2.797 178.905 176.117 -0.015 0.000 1.080 351 I CA 1.583 62.815 61.300 -0.113 0.000 1.339 351 I CB -0.608 37.251 38.000 -0.235 0.000 1.039 351 I HN 0.226 nan 8.210 nan 0.000 0.409 352 A N 0.690 123.507 122.820 -0.006 0.000 1.883 352 A HA -0.263 4.054 4.320 -0.004 0.000 0.217 352 A C 1.951 179.578 177.584 0.071 0.000 1.186 352 A CA 2.299 54.361 52.037 0.041 0.000 0.624 352 A CB -0.705 18.301 19.000 0.011 0.000 0.822 352 A HN 0.390 nan 8.150 nan 0.000 0.444 353 D N -0.263 120.155 120.400 0.030 0.000 2.123 353 D HA -0.110 4.527 4.640 -0.004 0.000 0.196 353 D C 2.079 178.456 176.300 0.128 0.000 0.992 353 D CA 1.528 55.557 54.000 0.048 0.000 0.833 353 D CB -0.626 40.171 40.800 -0.004 0.000 0.954 353 D HN 0.237 nan 8.370 nan 0.000 0.455 354 V N 1.048 121.017 119.914 0.092 0.000 2.307 354 V HA -0.194 3.923 4.120 -0.004 0.000 0.245 354 V C 2.684 178.957 176.094 0.298 0.000 1.045 354 V CA 1.085 63.469 62.300 0.139 0.000 1.024 354 V CB -0.505 31.335 31.823 0.027 0.000 0.651 354 V HN 0.188 nan 8.190 nan 0.000 0.449 355 L N -0.366 120.994 121.223 0.228 0.000 2.079 355 L HA -0.245 4.092 4.340 -0.004 0.000 0.210 355 L C 2.582 179.582 176.870 0.217 0.000 1.081 355 L CA 2.110 57.088 54.840 0.230 0.000 0.752 355 L CB -0.738 41.430 42.059 0.183 0.000 0.896 355 L HN 0.505 nan 8.230 nan 0.000 0.433 356 H N -0.201 118.945 119.070 0.127 0.000 2.456 356 H HA -0.094 4.459 4.556 -0.004 0.000 0.296 356 H C 1.884 177.288 175.328 0.127 0.000 1.079 356 H CA 1.335 57.442 56.048 0.098 0.000 1.322 356 H CB 0.249 30.053 29.762 0.070 0.000 1.388 356 H HN 0.298 nan 8.280 nan 0.000 0.538 357 A N -0.271 122.709 122.820 0.267 0.000 2.308 357 A HA 0.484 4.802 4.320 -0.004 0.000 0.217 357 A C 1.750 179.503 177.584 0.281 0.000 1.216 357 A CA 0.391 52.605 52.037 0.294 0.000 0.864 357 A CB -0.250 19.007 19.000 0.429 0.000 0.902 357 A HN 0.478 nan 8.150 nan 0.000 0.499 358 A N 0.051 122.994 122.820 0.206 0.000 2.640 358 A HA 0.348 4.666 4.320 -0.004 0.000 0.282 358 A C 0.778 178.285 177.584 -0.128 0.000 1.357 358 A CA 0.360 52.409 52.037 0.020 0.000 0.946 358 A CB -0.588 18.577 19.000 0.275 0.000 1.065 358 A HN 0.364 nan 8.150 nan 0.000 0.541 359 D N 1.163 121.455 120.400 -0.181 0.000 2.268 359 D HA -0.342 4.296 4.640 -0.004 0.000 0.189 359 D C 2.097 178.203 176.300 -0.323 0.000 1.010 359 D CA 2.434 56.303 54.000 -0.218 0.000 0.862 359 D CB -0.238 40.439 40.800 -0.206 0.000 0.943 359 D HN 0.844 nan 8.370 nan 0.000 0.451 360 Q N -0.839 118.612 119.800 -0.582 0.000 2.488 360 Q HA -0.079 4.258 4.340 -0.004 0.000 0.211 360 Q C 0.977 176.482 176.000 -0.825 0.000 0.967 360 Q CA 0.577 55.926 55.803 -0.757 0.000 0.926 360 Q CB -0.522 27.620 28.738 -0.993 0.000 0.992 360 Q HN 0.520 nan 8.270 nan 0.000 0.506 361 W N 0.052 121.198 121.300 -0.256 0.000 3.388 361 W HA 0.446 5.104 4.660 -0.002 0.000 0.324 361 W C 1.562 178.016 176.519 -0.108 0.000 1.250 361 W CA -0.096 57.136 57.345 -0.188 0.000 1.809 361 W CB 0.431 29.765 29.460 -0.211 0.000 1.083 361 W HN 0.241 nan 8.180 nan 0.000 0.685 362 A N -0.112 122.716 122.820 0.014 0.000 2.169 362 A HA 0.116 4.434 4.320 -0.004 0.000 0.212 362 A C 0.855 178.443 177.584 0.007 0.000 1.153 362 A CA 0.255 52.299 52.037 0.012 0.000 0.756 362 A CB -0.433 18.549 19.000 -0.029 0.000 0.813 362 A HN -0.041 nan 8.150 nan 0.000 0.471 363 V N 2.224 122.130 119.914 -0.013 0.000 2.673 363 V HA 0.016 4.134 4.120 -0.004 0.000 0.303 363 V C 0.303 176.422 176.094 0.041 0.000 1.046 363 V CA -0.376 61.920 62.300 -0.008 0.000 1.126 363 V CB 0.432 32.227 31.823 -0.048 0.000 0.934 363 V HN 0.437 nan 8.190 nan 0.000 0.487 364 E N 5.877 126.094 120.200 0.028 0.000 2.384 364 E HA 0.185 4.533 4.350 -0.004 0.000 0.266 364 E C -2.200 174.426 176.600 0.044 0.000 1.012 364 E CA -1.568 54.854 56.400 0.037 0.000 0.901 364 E CB 0.446 30.160 29.700 0.023 0.000 0.967 364 E HN 0.483 nan 8.360 nan 0.000 0.435 365 P HA 0.125 nan 4.420 nan 0.000 0.282 365 P C -0.287 177.030 177.300 0.028 0.000 1.262 365 P CA -0.045 63.084 63.100 0.048 0.000 0.773 365 P CB 1.265 32.991 31.700 0.043 0.000 0.879 366 A N 3.718 126.555 122.820 0.028 0.000 1.984 366 A HA 0.161 4.478 4.320 -0.004 0.000 0.214 366 A C 1.043 178.635 177.584 0.013 0.000 1.173 366 A CA 1.362 53.408 52.037 0.016 0.000 0.673 366 A CB -0.498 18.511 19.000 0.014 0.000 0.830 366 A HN 0.626 nan 8.150 nan 0.000 0.453 367 T N -5.138 109.427 114.554 0.018 0.000 2.901 367 T HA 0.450 4.797 4.350 -0.004 0.000 0.293 367 T C 0.825 175.533 174.700 0.013 0.000 1.084 367 T CA 0.059 62.166 62.100 0.012 0.000 1.008 367 T CB 1.294 70.171 68.868 0.014 0.000 1.170 367 T HN 0.125 nan 8.240 nan 0.000 0.509 368 V N 0.830 120.747 119.914 0.004 0.000 2.380 368 V HA -0.172 3.946 4.120 -0.004 0.000 0.251 368 V C 2.285 178.382 176.094 0.005 0.000 1.063 368 V CA 2.131 64.430 62.300 -0.000 0.000 1.055 368 V CB -0.980 30.839 31.823 -0.007 0.000 0.657 368 V HN 0.860 nan 8.190 nan 0.000 0.455 369 D N 0.114 120.523 120.400 0.014 0.000 2.144 369 D HA -0.145 4.492 4.640 -0.004 0.000 0.199 369 D C 1.942 178.266 176.300 0.040 0.000 0.984 369 D CA 1.312 55.326 54.000 0.023 0.000 0.834 369 D CB -0.373 40.444 40.800 0.028 0.000 0.955 369 D HN 0.440 nan 8.370 nan 0.000 0.465 370 D N 0.044 120.477 120.400 0.054 0.000 2.104 370 D HA -0.117 4.521 4.640 -0.004 0.000 0.194 370 D C 2.296 178.627 176.300 0.051 0.000 0.994 370 D CA 0.586 54.643 54.000 0.095 0.000 0.830 370 D CB -0.369 40.489 40.800 0.097 0.000 0.959 370 D HN 0.097 nan 8.370 nan 0.000 0.452 371 V N 1.161 121.082 119.914 0.011 0.000 2.295 371 V HA -0.221 3.897 4.120 -0.004 0.000 0.246 371 V C 2.679 178.727 176.094 -0.077 0.000 1.049 371 V CA 1.195 63.475 62.300 -0.033 0.000 1.024 371 V CB -0.534 31.276 31.823 -0.021 0.000 0.648 371 V HN 0.180 nan 8.190 nan 0.000 0.447 372 L N -0.269 120.926 121.223 -0.046 0.000 2.046 372 L HA -0.178 4.159 4.340 -0.004 0.000 0.208 372 L C 2.392 179.218 176.870 -0.074 0.000 1.077 372 L CA 1.546 56.356 54.840 -0.050 0.000 0.747 372 L CB -0.861 41.186 42.059 -0.020 0.000 0.896 372 L HN 0.309 nan 8.230 nan 0.000 0.432 373 D N 0.469 120.839 120.400 -0.050 0.000 2.104 373 D HA -0.195 4.442 4.640 -0.004 0.000 0.194 373 D C 2.253 178.335 176.300 -0.363 0.000 0.994 373 D CA 1.641 55.618 54.000 -0.039 0.000 0.830 373 D CB -0.143 40.750 40.800 0.155 0.000 0.959 373 D HN 0.327 nan 8.370 nan 0.000 0.452 374 A N 0.706 123.098 122.820 -0.715 0.000 1.877 374 A HA -0.253 4.065 4.320 -0.004 0.000 0.216 374 A C 2.137 179.350 177.584 -0.617 0.000 1.186 374 A CA 1.687 52.922 52.037 -1.337 0.000 0.620 374 A CB -0.666 17.804 19.000 -0.884 0.000 0.822 374 A HN 0.256 nan 8.150 nan 0.000 0.443 375 Q N -1.116 118.500 119.800 -0.307 0.000 2.079 375 Q HA -0.158 4.180 4.340 -0.004 0.000 0.200 375 Q C 2.387 178.322 176.000 -0.109 0.000 0.974 375 Q CA 1.431 57.140 55.803 -0.158 0.000 0.840 375 Q CB -0.202 28.474 28.738 -0.104 0.000 0.898 375 Q HN 0.670 nan 8.270 nan 0.000 0.430 376 R N 0.096 120.543 120.500 -0.089 0.000 2.080 376 R HA -0.219 4.119 4.340 -0.004 0.000 0.236 376 R C 1.965 178.262 176.300 -0.005 0.000 1.137 376 R CA 1.924 58.004 56.100 -0.032 0.000 0.943 376 R CB -0.395 29.910 30.300 0.007 0.000 0.846 376 R HN 0.407 nan 8.270 nan 0.000 0.431 377 W N 0.681 121.887 121.300 -0.156 0.000 2.338 377 W HA -0.195 4.463 4.660 -0.004 0.000 0.304 377 W C 2.009 178.480 176.519 -0.079 0.000 1.212 377 W CA 2.067 59.375 57.345 -0.061 0.000 1.264 377 W CB -0.320 29.174 29.460 0.057 0.000 1.142 377 W HN 0.227 nan 8.180 nan 0.000 0.512 378 A N 0.811 123.630 122.820 -0.002 0.000 1.898 378 A HA -0.170 4.148 4.320 -0.004 0.000 0.216 378 A C 2.018 179.449 177.584 -0.256 0.000 1.181 378 A CA 1.760 53.703 52.037 -0.157 0.000 0.620 378 A CB -0.787 18.219 19.000 0.011 0.000 0.819 378 A HN 0.405 nan 8.150 nan 0.000 0.442 379 R N -0.608 119.787 120.500 -0.175 0.000 2.091 379 R HA -0.171 4.167 4.340 -0.004 0.000 0.238 379 R C 2.302 178.486 176.300 -0.193 0.000 1.136 379 R CA 1.586 57.595 56.100 -0.152 0.000 0.959 379 R CB -0.365 29.874 30.300 -0.100 0.000 0.856 379 R HN 0.768 nan 8.270 nan 0.000 0.437 380 E N 0.607 120.663 120.200 -0.240 0.000 2.047 380 E HA -0.230 4.117 4.350 -0.004 0.000 0.191 380 E C 2.116 178.520 176.600 -0.327 0.000 0.987 380 E CA 1.031 57.284 56.400 -0.246 0.000 0.799 380 E CB 0.089 29.655 29.700 -0.223 0.000 0.752 380 E HN -0.006 nan 8.360 nan 0.000 0.449 381 R N 0.629 120.789 120.500 -0.566 0.000 2.096 381 R HA -0.071 4.266 4.340 -0.004 0.000 0.235 381 R C 1.978 178.088 176.300 -0.316 0.000 1.127 381 R CA 1.642 57.403 56.100 -0.564 0.000 0.968 381 R CB -0.727 28.919 30.300 -1.091 0.000 0.861 381 R HN 0.214 nan 8.270 nan 0.000 0.440 382 A N 0.231 122.886 122.820 -0.275 0.000 1.902 382 A HA -0.180 4.138 4.320 -0.004 0.000 0.217 382 A C 1.946 179.452 177.584 -0.129 0.000 1.181 382 A CA 1.454 53.390 52.037 -0.168 0.000 0.623 382 A CB -0.461 18.452 19.000 -0.145 0.000 0.818 382 A HN 0.358 nan 8.150 nan 0.000 0.443 383 Q N -0.343 119.377 119.800 -0.134 0.000 2.079 383 Q HA -0.105 4.233 4.340 -0.004 0.000 0.200 383 Q C 2.184 178.132 176.000 -0.086 0.000 0.974 383 Q CA 1.318 57.064 55.803 -0.095 0.000 0.840 383 Q CB -0.465 28.221 28.738 -0.087 0.000 0.898 383 Q HN 0.685 nan 8.270 nan 0.000 0.430 384 R N 0.275 120.711 120.500 -0.108 0.000 2.091 384 R HA -0.118 4.220 4.340 -0.004 0.000 0.238 384 R C 2.201 178.461 176.300 -0.066 0.000 1.136 384 R CA 1.341 57.391 56.100 -0.084 0.000 0.959 384 R CB -0.340 29.901 30.300 -0.098 0.000 0.856 384 R HN 0.254 nan 8.270 nan 0.000 0.437 385 A N 0.341 123.115 122.820 -0.077 0.000 1.933 385 A HA -0.105 4.213 4.320 -0.004 0.000 0.218 385 A C 2.317 179.873 177.584 -0.046 0.000 1.175 385 A CA 1.292 53.294 52.037 -0.058 0.000 0.628 385 A CB -0.422 18.538 19.000 -0.066 0.000 0.814 385 A HN 0.130 nan 8.150 nan 0.000 0.444 386 V N -0.092 119.793 119.914 -0.048 0.000 2.295 386 V HA -0.226 3.892 4.120 -0.004 0.000 0.246 386 V C 2.747 178.826 176.094 -0.025 0.000 1.049 386 V CA 2.343 64.624 62.300 -0.032 0.000 1.024 386 V CB -0.888 30.916 31.823 -0.031 0.000 0.648 386 V HN 0.554 nan 8.190 nan 0.000 0.447 387 S N 0.668 116.350 115.700 -0.030 0.000 2.419 387 S HA -0.147 4.321 4.470 -0.004 0.000 0.235 387 S C 1.871 176.460 174.600 -0.019 0.000 1.019 387 S CA 1.279 59.465 58.200 -0.023 0.000 0.982 387 S CB -0.547 62.636 63.200 -0.027 0.000 0.789 387 S HN 0.724 nan 8.310 nan 0.000 0.490 388 G N 1.093 109.880 108.800 -0.022 0.000 2.848 388 G HA2 0.250 4.208 3.960 -0.004 0.000 0.208 388 G HA3 0.250 4.208 3.960 -0.004 0.000 0.208 388 G C 0.326 175.218 174.900 -0.014 0.000 1.152 388 G CA 0.160 45.250 45.100 -0.017 0.000 0.789 388 G HN 0.576 nan 8.290 nan 0.000 0.531 389 M N 0.000 119.593 119.600 -0.012 0.000 2.572 389 M HA 0.000 4.478 4.480 -0.004 0.000 0.227 389 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 389 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411