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 3n0s_1_D DATA FIRST_RESID -1 DATA SEQUENCE NAXNDIVAST QLPNTIKTIT NDLRKLGLKK GXTVIVHSSL SSIGWISGGA DATA SEQUENCE VAVVEALXEV ITEEGTIIXP TQSSDLSDPK HWSRPPVPEE WWQIIRDNVP DATA SEQUENCE AFEPHITPTR AXGKVVECFR TYPNVVRSNH PLGSFAAWGR HAEEITVNQS DATA SEQUENCE LSXSLGEESP LRKIYDLDGY ILLIGVGYDS NTSVALSEVR SGACELIKVG DATA SEQUENCE APIIENGERV WKEFVDXDYD SDKFVEIGVE FEQKGTVTXG KIGNAKCRLX DATA SEQUENCE KQRDIVDFGT EWFRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.531 175.510 0.035 0.000 1.280 -1 N CA 0.000 53.067 53.050 0.028 0.000 0.885 -1 N CB 0.000 38.499 38.487 0.020 0.000 1.341 3 D N 1.737 122.151 120.400 0.022 0.000 2.117 3 D HA 0.096 4.736 4.640 -0.000 0.000 0.198 3 D C 1.969 178.293 176.300 0.040 0.000 0.982 3 D CA 0.981 54.996 54.000 0.025 0.000 0.828 3 D CB 0.296 41.110 40.800 0.024 0.000 0.967 3 D HN 0.359 nan 8.370 nan 0.000 0.464 4 I N 0.596 121.205 120.570 0.066 0.000 2.179 4 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 4 I C 2.502 178.692 176.117 0.121 0.000 1.088 4 I CA 0.626 61.989 61.300 0.105 0.000 1.357 4 I CB -0.150 37.941 38.000 0.152 0.000 1.051 4 I HN -0.128 nan 8.210 nan 0.000 0.409 5 V N 0.957 120.918 119.914 0.079 0.000 2.295 5 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 5 V C 2.638 178.724 176.094 -0.013 0.000 1.049 5 V CA 2.117 64.405 62.300 -0.020 0.000 1.024 5 V CB -1.027 30.692 31.823 -0.174 0.000 0.648 5 V HN 0.522 nan 8.190 nan 0.000 0.447 6 A N 0.371 123.185 122.820 -0.010 0.000 2.067 6 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 6 A C 2.336 179.925 177.584 0.009 0.000 1.158 6 A CA 1.757 53.789 52.037 -0.009 0.000 0.661 6 A CB -0.515 18.479 19.000 -0.009 0.000 0.801 6 A HN 0.695 nan 8.150 nan 0.000 0.452 7 S N -1.362 114.353 115.700 0.026 0.000 2.593 7 S HA 0.119 4.589 4.470 -0.000 0.000 0.217 7 S C 0.404 175.028 174.600 0.041 0.000 0.966 7 S CA 0.379 58.598 58.200 0.031 0.000 0.914 7 S CB -0.338 62.884 63.200 0.036 0.000 0.776 7 S HN 0.269 nan 8.310 nan 0.000 0.523 8 T N 2.624 117.208 114.554 0.051 0.000 2.779 8 T HA 0.378 4.727 4.350 -0.000 0.000 0.280 8 T C 0.424 175.150 174.700 0.044 0.000 0.987 8 T CA -0.668 61.474 62.100 0.070 0.000 0.966 8 T CB 1.791 70.743 68.868 0.139 0.000 0.933 8 T HN 0.015 nan 8.240 nan 0.000 0.442 9 Q N 1.721 121.545 119.800 0.040 0.000 1.994 9 Q HA 0.238 4.578 4.340 -0.000 0.000 0.198 9 Q C 0.403 176.421 176.000 0.030 0.000 0.976 9 Q CA 1.135 56.953 55.803 0.026 0.000 0.828 9 Q CB 0.134 28.885 28.738 0.021 0.000 0.894 9 Q HN 0.561 nan 8.270 nan 0.000 0.432 10 L N 0.777 122.029 121.223 0.050 0.000 2.350 10 L HA 0.407 4.747 4.340 -0.000 0.000 0.260 10 L C -2.348 174.591 176.870 0.116 0.000 1.015 10 L CA -2.214 52.663 54.840 0.063 0.000 0.821 10 L CB 2.004 44.091 42.059 0.047 0.000 1.370 10 L HN -0.043 nan 8.230 nan 0.000 0.416 11 P HA 0.069 nan 4.420 nan 0.000 0.268 11 P C -1.081 176.315 177.300 0.159 0.000 1.204 11 P CA -0.196 63.084 63.100 0.299 0.000 0.768 11 P CB 0.261 32.188 31.700 0.378 0.000 0.842 12 N N 1.307 120.072 118.700 0.109 0.000 2.518 12 N HA 0.234 4.974 4.740 -0.000 0.000 0.266 12 N C 0.393 175.884 175.510 -0.033 0.000 1.196 12 N CA 0.395 53.452 53.050 0.011 0.000 0.947 12 N CB 0.717 39.185 38.487 -0.032 0.000 1.098 12 N HN 0.504 nan 8.380 nan 0.000 0.450 13 T N -2.638 111.898 114.554 -0.030 0.000 2.838 13 T HA 0.430 4.780 4.350 -0.000 0.000 0.292 13 T C 1.540 176.211 174.700 -0.048 0.000 1.113 13 T CA -0.791 61.285 62.100 -0.040 0.000 1.008 13 T CB 0.662 69.528 68.868 -0.005 0.000 1.259 13 T HN 0.261 nan 8.240 nan 0.000 0.520 14 I N 0.834 121.376 120.570 -0.047 0.000 2.151 14 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 14 I C 2.735 178.831 176.117 -0.035 0.000 1.080 14 I CA 1.561 62.834 61.300 -0.046 0.000 1.339 14 I CB -0.353 37.624 38.000 -0.037 0.000 1.039 14 I HN 0.708 nan 8.210 nan 0.000 0.409 15 K N 0.169 120.555 120.400 -0.022 0.000 2.026 15 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 15 K C 2.177 178.767 176.600 -0.017 0.000 1.048 15 K CA 2.178 58.456 56.287 -0.015 0.000 0.929 15 K CB -0.445 32.052 32.500 -0.006 0.000 0.713 15 K HN 0.518 nan 8.250 nan 0.000 0.439 16 T N -0.379 114.166 114.554 -0.015 0.000 2.857 16 T HA -0.036 4.313 4.350 -0.000 0.000 0.266 16 T C 2.016 176.701 174.700 -0.024 0.000 1.048 16 T CA 0.712 62.804 62.100 -0.013 0.000 1.139 16 T CB -0.330 68.536 68.868 -0.003 0.000 0.874 16 T HN 0.070 nan 8.240 nan 0.000 0.455 17 I N 1.627 122.176 120.570 -0.036 0.000 2.252 17 I HA -0.141 4.028 4.170 -0.000 0.000 0.245 17 I C 2.940 179.028 176.117 -0.048 0.000 1.102 17 I CA 1.402 62.674 61.300 -0.047 0.000 1.385 17 I CB -0.766 37.195 38.000 -0.064 0.000 1.064 17 I HN 0.279 nan 8.210 nan 0.000 0.414 18 T N 0.363 114.890 114.554 -0.045 0.000 2.684 18 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 18 T C 1.816 176.496 174.700 -0.035 0.000 1.036 18 T CA 1.774 63.849 62.100 -0.042 0.000 1.148 18 T CB -0.539 68.308 68.868 -0.035 0.000 0.863 18 T HN 0.420 nan 8.240 nan 0.000 0.436 19 N N 0.709 119.393 118.700 -0.027 0.000 2.061 19 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 19 N C 1.293 176.787 175.510 -0.025 0.000 1.030 19 N CA 1.643 54.679 53.050 -0.022 0.000 0.856 19 N CB -0.125 38.352 38.487 -0.016 0.000 1.023 19 N HN 0.265 nan 8.380 nan 0.000 0.424 20 D N 0.791 121.175 120.400 -0.027 0.000 2.178 20 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 20 D C 2.133 178.411 176.300 -0.036 0.000 0.980 20 D CA 0.502 54.485 54.000 -0.028 0.000 0.842 20 D CB -0.234 40.549 40.800 -0.028 0.000 0.948 20 D HN 0.353 nan 8.370 nan 0.000 0.472 21 L N 0.269 121.466 121.223 -0.045 0.000 2.056 21 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 21 L C 2.594 179.431 176.870 -0.054 0.000 1.078 21 L CA 0.945 55.752 54.840 -0.054 0.000 0.749 21 L CB -0.184 41.837 42.059 -0.064 0.000 0.901 21 L HN -0.073 nan 8.230 nan 0.000 0.433 22 R N 0.288 120.761 120.500 -0.046 0.000 2.073 22 R HA -0.178 4.161 4.340 -0.000 0.000 0.234 22 R C 2.318 178.595 176.300 -0.039 0.000 1.134 22 R CA 1.417 57.491 56.100 -0.043 0.000 0.952 22 R CB -0.273 30.008 30.300 -0.033 0.000 0.850 22 R HN 0.308 nan 8.270 nan 0.000 0.433 23 K N 0.418 120.800 120.400 -0.031 0.000 2.103 23 K HA -0.150 4.169 4.320 -0.000 0.000 0.207 23 K C 1.966 178.550 176.600 -0.027 0.000 1.048 23 K CA 0.918 57.190 56.287 -0.025 0.000 0.930 23 K CB -0.171 32.317 32.500 -0.020 0.000 0.716 23 K HN 0.011 nan 8.250 nan 0.000 0.444 24 L N -0.477 120.726 121.223 -0.033 0.000 2.201 24 L HA -0.058 4.281 4.340 -0.000 0.000 0.212 24 L C 1.220 178.066 176.870 -0.040 0.000 1.105 24 L CA 2.118 56.939 54.840 -0.032 0.000 0.775 24 L CB 0.006 42.044 42.059 -0.036 0.000 0.913 24 L HN 0.439 nan 8.230 nan 0.000 0.440 25 G N -2.139 106.627 108.800 -0.057 0.000 2.227 25 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.168 25 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.168 25 G C -0.051 174.766 174.900 -0.139 0.000 1.006 25 G CA -0.026 45.026 45.100 -0.080 0.000 0.684 25 G HN 0.158 nan 8.290 nan 0.000 0.489 26 L N 1.478 122.622 121.223 -0.131 0.000 2.490 26 L HA 0.606 4.946 4.340 -0.000 0.000 0.274 26 L C 0.476 177.272 176.870 -0.124 0.000 1.201 26 L CA 0.880 55.624 54.840 -0.159 0.000 0.869 26 L CB 0.645 42.632 42.059 -0.120 0.000 1.123 26 L HN 0.220 nan 8.230 nan 0.000 0.484 27 K N 3.189 123.507 120.400 -0.136 0.000 2.508 27 K HA 0.311 4.631 4.320 -0.000 0.000 0.260 27 K C -1.077 175.491 176.600 -0.053 0.000 0.949 27 K CA -1.131 55.104 56.287 -0.087 0.000 0.834 27 K CB 1.962 34.407 32.500 -0.091 0.000 1.365 27 K HN 0.393 nan 8.250 nan 0.000 0.437 28 K N 1.293 121.678 120.400 -0.024 0.000 2.484 28 K HA 0.172 4.492 4.320 -0.000 0.000 0.280 28 K C 0.131 176.732 176.600 0.003 0.000 1.013 28 K CA 1.249 57.536 56.287 0.001 0.000 1.029 28 K CB 0.024 32.527 32.500 0.005 0.000 0.902 28 K HN 0.766 nan 8.250 nan 0.000 0.481 32 V N 4.735 124.707 119.914 0.096 0.000 2.733 32 V HA 0.729 4.849 4.120 -0.000 0.000 0.306 32 V C -0.783 175.317 176.094 0.011 0.000 1.084 32 V CA -0.943 61.400 62.300 0.072 0.000 0.905 32 V CB 1.694 33.535 31.823 0.030 0.000 1.010 32 V HN 0.943 nan 8.190 nan 0.000 0.424 33 I N 7.138 127.708 120.570 -0.000 0.000 2.371 33 I HA 0.588 4.758 4.170 -0.000 0.000 0.290 33 I C -0.835 175.166 176.117 -0.193 0.000 1.028 33 I CA -0.048 61.203 61.300 -0.081 0.000 1.345 33 I CB 1.218 39.208 38.000 -0.017 0.000 1.407 33 I HN 0.494 nan 8.210 nan 0.000 0.501 34 V N 7.373 127.082 119.914 -0.342 0.000 2.495 34 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 34 V C -0.473 175.319 176.094 -0.503 0.000 1.031 34 V CA -0.666 61.438 62.300 -0.327 0.000 0.871 34 V CB 1.515 33.169 31.823 -0.281 0.000 0.988 34 V HN 0.622 nan 8.190 nan 0.000 0.432 35 H N 2.582 121.604 119.070 -0.081 0.000 2.538 35 H HA 0.778 5.334 4.556 -0.000 0.000 0.353 35 H C -0.375 174.905 175.328 -0.080 0.000 1.109 35 H CA -0.370 55.635 56.048 -0.072 0.000 1.192 35 H CB 2.346 32.072 29.762 -0.061 0.000 1.555 35 H HN 0.790 nan 8.280 nan 0.000 0.518 36 S N 1.185 116.905 115.700 0.033 0.000 2.550 36 S HA 0.387 4.857 4.470 -0.000 0.000 0.270 36 S C -0.833 173.760 174.600 -0.012 0.000 1.145 36 S CA -0.970 57.222 58.200 -0.013 0.000 0.852 36 S CB 2.299 65.464 63.200 -0.057 0.000 1.119 36 S HN 0.467 nan 8.310 nan 0.000 0.465 37 S N 1.622 117.310 115.700 -0.020 0.000 2.566 37 S HA 0.431 4.900 4.470 -0.000 0.000 0.324 37 S C 0.559 175.141 174.600 -0.029 0.000 1.081 37 S CA -0.828 57.360 58.200 -0.020 0.000 1.105 37 S CB 0.688 63.880 63.200 -0.014 0.000 0.981 37 S HN 0.810 nan 8.310 nan 0.000 0.464 38 L N 5.813 127.016 121.223 -0.034 0.000 2.046 38 L HA -0.024 4.315 4.340 -0.000 0.000 0.208 38 L C 2.673 179.519 176.870 -0.040 0.000 1.077 38 L CA 2.728 57.539 54.840 -0.049 0.000 0.747 38 L CB -0.966 41.061 42.059 -0.053 0.000 0.896 38 L HN 0.905 nan 8.230 nan 0.000 0.432 39 S N -1.493 114.195 115.700 -0.021 0.000 2.399 39 S HA -0.195 4.274 4.470 -0.000 0.000 0.231 39 S C 2.118 176.719 174.600 0.002 0.000 1.022 39 S CA 1.302 59.501 58.200 -0.003 0.000 0.983 39 S CB -1.064 62.142 63.200 0.009 0.000 0.803 39 S HN 0.660 nan 8.310 nan 0.000 0.480 40 S N 1.698 117.394 115.700 -0.006 0.000 2.447 40 S HA 0.086 4.555 4.470 -0.000 0.000 0.233 40 S C 1.761 176.359 174.600 -0.003 0.000 1.006 40 S CA 0.797 58.996 58.200 -0.002 0.000 0.957 40 S CB -0.909 62.287 63.200 -0.007 0.000 0.773 40 S HN 0.594 nan 8.310 nan 0.000 0.507 41 I N 1.876 122.437 120.570 -0.015 0.000 2.454 41 I HA 0.110 4.280 4.170 -0.000 0.000 0.254 41 I C 1.644 177.763 176.117 0.004 0.000 1.156 41 I CA 0.858 62.148 61.300 -0.018 0.000 1.433 41 I CB -1.026 36.948 38.000 -0.043 0.000 1.082 41 I HN 0.672 nan 8.210 nan 0.000 0.432 42 G N -0.289 108.525 108.800 0.023 0.000 2.655 42 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.680 42 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.680 42 G C -0.986 173.969 174.900 0.092 0.000 1.302 42 G CA -0.499 44.645 45.100 0.073 0.000 0.872 42 G HN 0.238 nan 8.290 nan 0.000 0.540 43 W N 0.401 121.698 121.300 -0.005 0.000 2.251 43 W HA 0.629 5.286 4.660 -0.005 0.000 0.327 43 W C 0.386 176.901 176.519 -0.006 0.000 1.361 43 W CA -0.050 57.293 57.345 -0.005 0.000 1.234 43 W CB 0.211 29.669 29.460 -0.003 0.000 1.212 43 W HN 0.480 nan 8.180 nan 0.000 0.557 44 I N 5.537 125.552 120.570 -0.926 0.000 2.509 44 I HA 0.114 4.283 4.170 -0.000 0.000 0.293 44 I C 0.067 175.438 176.117 -1.243 0.000 1.020 44 I CA -0.998 59.849 61.300 -0.755 0.000 1.088 44 I CB 1.916 39.653 38.000 -0.439 0.000 1.267 44 I HN 0.282 nan 8.210 nan 0.000 0.430 45 S N 4.246 119.478 115.700 -0.779 0.000 2.416 45 S HA 0.514 4.984 4.470 -0.000 0.000 0.287 45 S C 0.821 175.246 174.600 -0.291 0.000 1.139 45 S CA 0.517 58.402 58.200 -0.524 0.000 1.058 45 S CB 0.030 63.185 63.200 -0.075 0.000 0.967 45 S HN 1.086 nan 8.310 nan 0.000 0.495 46 G N 3.592 112.243 108.800 -0.249 0.000 2.176 46 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.232 46 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.232 46 G C 1.239 176.040 174.900 -0.164 0.000 0.986 46 G CA 0.287 45.298 45.100 -0.148 0.000 0.643 46 G HN 1.830 nan 8.290 nan 0.000 0.522 47 G N 0.539 109.180 108.800 -0.265 0.000 2.684 47 G HA2 0.010 3.970 3.960 -0.000 0.000 0.342 47 G HA3 0.010 3.970 3.960 -0.000 0.000 0.342 47 G C 1.772 176.586 174.900 -0.144 0.000 1.316 47 G CA 2.781 47.750 45.100 -0.219 0.000 0.994 47 G HN 1.947 nan 8.290 nan 0.000 0.541 48 A N -1.480 121.287 122.820 -0.089 0.000 1.902 48 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 48 A C 2.780 180.338 177.584 -0.042 0.000 1.181 48 A CA 3.087 55.089 52.037 -0.059 0.000 0.623 48 A CB -0.683 18.304 19.000 -0.022 0.000 0.818 48 A HN 1.326 nan 8.150 nan 0.000 0.443 49 V N -0.034 119.872 119.914 -0.013 0.000 2.324 49 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 49 V C 3.052 179.135 176.094 -0.019 0.000 1.060 49 V CA 2.149 64.469 62.300 0.032 0.000 1.042 49 V CB -1.251 30.596 31.823 0.039 0.000 0.650 49 V HN 0.636 nan 8.190 nan 0.000 0.450 50 A N -0.483 122.298 122.820 -0.065 0.000 1.902 50 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 50 A C 2.371 179.896 177.584 -0.099 0.000 1.181 50 A CA 2.038 54.025 52.037 -0.084 0.000 0.623 50 A CB -0.627 18.303 19.000 -0.116 0.000 0.818 50 A HN 0.358 nan 8.150 nan 0.000 0.443 51 V N -0.420 119.426 119.914 -0.112 0.000 2.358 51 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 51 V C 2.554 178.552 176.094 -0.161 0.000 1.047 51 V CA 1.908 64.132 62.300 -0.127 0.000 1.035 51 V CB -0.707 31.041 31.823 -0.124 0.000 0.658 51 V HN 0.372 nan 8.190 nan 0.000 0.452 52 V N -0.246 119.564 119.914 -0.174 0.000 2.358 52 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 52 V C 2.577 178.487 176.094 -0.307 0.000 1.047 52 V CA 1.738 63.871 62.300 -0.279 0.000 1.035 52 V CB -0.607 31.011 31.823 -0.342 0.000 0.658 52 V HN 0.549 nan 8.190 nan 0.000 0.452 53 E N 0.420 120.503 120.200 -0.195 0.000 2.110 53 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 53 E C 2.334 178.851 176.600 -0.139 0.000 0.988 53 E CA 1.459 57.770 56.400 -0.148 0.000 0.804 53 E CB -0.383 29.286 29.700 -0.051 0.000 0.745 53 E HN 0.588 nan 8.360 nan 0.000 0.458 54 A N 1.317 124.061 122.820 -0.126 0.000 1.898 54 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 54 A C 1.699 179.212 177.584 -0.118 0.000 1.181 54 A CA 0.479 52.454 52.037 -0.102 0.000 0.620 54 A CB -0.514 18.432 19.000 -0.091 0.000 0.819 54 A HN 0.090 nan 8.150 nan 0.000 0.442 58 V N 1.788 121.695 119.914 -0.010 0.000 2.500 58 V HA -0.005 4.115 4.120 -0.000 0.000 0.243 58 V C 2.041 178.145 176.094 0.016 0.000 1.039 58 V CA 1.389 63.684 62.300 -0.009 0.000 1.053 58 V CB -0.246 31.555 31.823 -0.037 0.000 0.695 58 V HN 0.296 nan 8.190 nan 0.000 0.463 59 I N 0.454 121.049 120.570 0.042 0.000 2.286 59 I HA -0.041 4.128 4.170 -0.000 0.000 0.245 59 I C 1.418 177.618 176.117 0.139 0.000 1.104 59 I CA 1.739 63.091 61.300 0.087 0.000 1.397 59 I CB -1.479 36.603 38.000 0.136 0.000 1.072 59 I HN 0.729 nan 8.210 nan 0.000 0.417 60 T N -0.634 114.053 114.554 0.222 0.000 0.541 60 T HA -0.291 4.059 4.350 -0.000 0.000 0.774 60 T C 0.879 175.702 174.700 0.205 0.000 0.992 60 T CA 0.963 63.220 62.100 0.261 0.000 4.077 60 T CB -0.797 68.142 68.868 0.119 0.000 2.303 60 T HN 0.422 nan 8.240 nan 0.000 0.398 61 E N 0.532 120.753 120.200 0.035 0.000 2.333 61 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 61 E C 1.976 178.438 176.600 -0.231 0.000 1.007 61 E CA 1.151 57.363 56.400 -0.313 0.000 0.845 61 E CB -0.057 29.498 29.700 -0.242 0.000 0.766 61 E HN 0.553 nan 8.360 nan 0.000 0.507 62 E N -0.074 120.066 120.200 -0.100 0.000 2.427 62 E HA 0.010 4.360 4.350 -0.000 0.000 0.196 62 E C 0.851 177.413 176.600 -0.064 0.000 1.028 62 E CA 0.339 56.686 56.400 -0.088 0.000 0.864 62 E CB 0.146 29.822 29.700 -0.040 0.000 0.813 62 E HN 0.198 nan 8.360 nan 0.000 0.514 63 G N -0.457 108.329 108.800 -0.022 0.000 2.753 63 G HA2 0.492 4.452 3.960 -0.000 0.000 0.285 63 G HA3 0.492 4.452 3.960 -0.000 0.000 0.285 63 G C -0.661 174.260 174.900 0.035 0.000 1.344 63 G CA -0.279 44.843 45.100 0.036 0.000 1.050 63 G HN -0.043 nan 8.290 nan 0.000 0.532 64 T N 0.088 114.711 114.554 0.115 0.000 2.916 64 T HA 0.502 4.852 4.350 -0.000 0.000 0.298 64 T C -0.654 174.165 174.700 0.199 0.000 1.031 64 T CA -0.100 62.092 62.100 0.154 0.000 0.993 64 T CB 1.487 70.448 68.868 0.154 0.000 1.045 64 T HN 0.339 nan 8.240 nan 0.000 0.454 65 I N 3.599 124.349 120.570 0.300 0.000 2.378 65 I HA 0.506 4.676 4.170 -0.000 0.000 0.291 65 I C -0.653 175.577 176.117 0.189 0.000 0.992 65 I CA -0.727 60.675 61.300 0.171 0.000 1.154 65 I CB 1.259 39.313 38.000 0.090 0.000 1.315 65 I HN 0.478 nan 8.210 nan 0.000 0.448 69 T N -2.805 111.628 114.554 -0.202 0.000 3.584 69 T HA 0.235 4.585 4.350 -0.000 0.000 0.259 69 T C 0.167 174.838 174.700 -0.048 0.000 1.009 69 T CA -0.560 61.517 62.100 -0.038 0.000 1.103 69 T CB 0.052 68.962 68.868 0.070 0.000 1.099 69 T HN 0.395 nan 8.240 nan 0.000 0.539 70 Q N 1.718 121.448 119.800 -0.117 0.000 2.395 70 Q HA 0.327 4.667 4.340 -0.000 0.000 0.271 70 Q C 0.011 176.015 176.000 0.007 0.000 1.026 70 Q CA 0.062 55.816 55.803 -0.081 0.000 0.900 70 Q CB 0.556 29.228 28.738 -0.109 0.000 1.266 70 Q HN 0.684 nan 8.270 nan 0.000 0.430 71 S N -1.198 114.528 115.700 0.044 0.000 2.300 71 S HA 0.117 4.587 4.470 -0.000 0.000 0.172 71 S C 0.657 175.312 174.600 0.092 0.000 1.484 71 S CA -0.379 57.876 58.200 0.091 0.000 1.265 71 S CB 0.532 63.846 63.200 0.190 0.000 1.313 71 S HN 0.636 nan 8.310 nan 0.000 0.387 72 S N 0.508 116.239 115.700 0.051 0.000 2.442 72 S HA -0.195 4.275 4.470 -0.000 0.000 0.236 72 S C 1.344 175.981 174.600 0.061 0.000 1.007 72 S CA 1.008 59.246 58.200 0.063 0.000 0.965 72 S CB -0.562 62.641 63.200 0.005 0.000 0.773 72 S HN 0.637 nan 8.310 nan 0.000 0.504 73 D N 0.992 121.396 120.400 0.008 0.000 2.220 73 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 73 D C 1.046 177.479 176.300 0.222 0.000 1.001 73 D CA 1.088 55.095 54.000 0.011 0.000 0.875 73 D CB -0.065 40.760 40.800 0.040 0.000 0.921 73 D HN 0.360 nan 8.370 nan 0.000 0.454 74 L N 0.570 121.948 121.223 0.258 0.000 2.611 74 L HA 0.045 4.385 4.340 -0.000 0.000 0.229 74 L C 1.059 178.166 176.870 0.396 0.000 1.137 74 L CA 0.075 55.110 54.840 0.325 0.000 0.901 74 L CB -0.028 42.181 42.059 0.248 0.000 1.098 74 L HN -0.077 nan 8.230 nan 0.000 0.456 75 S N -2.361 113.624 115.700 0.474 0.000 2.645 75 S HA 0.146 4.615 4.470 -0.000 0.000 0.266 75 S C 0.164 175.061 174.600 0.494 0.000 1.258 75 S CA -0.847 57.627 58.200 0.457 0.000 0.990 75 S CB 0.964 64.447 63.200 0.472 0.000 0.967 75 S HN 0.171 nan 8.310 nan 0.000 0.556 76 D N 1.699 122.278 120.400 0.298 0.000 2.450 76 D HA 0.130 4.770 4.640 -0.000 0.000 0.247 76 D C -1.311 174.595 176.300 -0.657 0.000 1.162 76 D CA -1.626 52.388 54.000 0.023 0.000 0.879 76 D CB 1.182 41.983 40.800 0.001 0.000 1.163 76 D HN 0.310 nan 8.370 nan 0.000 0.472 77 P HA -0.133 nan 4.420 nan 0.000 0.230 77 P C 1.145 177.278 177.300 -1.945 0.000 1.158 77 P CA 0.785 62.544 63.100 -2.234 0.000 0.769 77 P CB -0.016 30.596 31.700 -1.813 0.000 0.807 78 K N -0.408 118.937 120.400 -1.758 0.000 2.147 78 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 78 K C 1.177 177.195 176.600 -0.970 0.000 1.049 78 K CA 1.225 56.376 56.287 -1.893 0.000 0.936 78 K CB -0.863 30.922 32.500 -1.191 0.000 0.722 78 K HN 0.205 nan 8.250 nan 0.000 0.446 79 H N -0.714 118.043 119.070 -0.521 0.000 2.517 79 H HA 0.117 4.673 4.556 -0.001 0.000 0.282 79 H C -0.346 175.023 175.328 0.069 0.000 1.023 79 H CA -0.410 55.542 56.048 -0.161 0.000 1.169 79 H CB -0.156 29.572 29.762 -0.058 0.000 1.454 79 H HN 0.196 nan 8.280 nan 0.000 0.556 80 W N 1.853 123.110 121.300 -0.073 0.000 2.272 80 W HA 0.196 4.857 4.660 0.000 0.000 0.318 80 W C 1.279 177.807 176.519 0.014 0.000 1.255 80 W CA -0.522 56.813 57.345 -0.017 0.000 1.200 80 W CB 0.717 30.162 29.460 -0.025 0.000 1.170 80 W HN 0.054 nan 8.180 nan 0.000 0.549 81 S N 1.055 116.889 115.700 0.223 0.000 2.649 81 S HA 0.129 4.599 4.470 -0.000 0.000 0.246 81 S C 0.455 175.098 174.600 0.072 0.000 1.057 81 S CA -0.503 57.774 58.200 0.128 0.000 1.051 81 S CB 0.257 63.510 63.200 0.088 0.000 1.018 81 S HN 0.487 nan 8.310 nan 0.000 0.569 82 R N 2.023 122.541 120.500 0.030 0.000 2.585 82 R HA 0.554 4.894 4.340 -0.000 0.000 0.278 82 R C -2.925 173.336 176.300 -0.064 0.000 1.663 82 R CA -1.062 55.029 56.100 -0.014 0.000 1.592 82 R CB 0.549 30.832 30.300 -0.027 0.000 1.200 82 R HN 0.223 nan 8.270 nan 0.000 0.611 83 P HA 0.606 nan 4.420 nan 0.000 0.289 83 P C -2.921 174.467 177.300 0.147 0.000 1.300 83 P CA -1.869 61.263 63.100 0.054 0.000 0.828 83 P CB 1.054 32.785 31.700 0.051 0.000 1.235 84 P HA 0.278 nan 4.420 nan 0.000 0.280 84 P C -0.840 176.582 177.300 0.203 0.000 1.272 84 P CA -0.438 62.811 63.100 0.249 0.000 0.819 84 P CB 1.123 32.928 31.700 0.175 0.000 1.122 85 V N -3.958 116.098 119.914 0.236 0.000 2.914 85 V HA 0.597 4.717 4.120 -0.000 0.000 0.314 85 V C -2.782 173.220 176.094 -0.153 0.000 1.084 85 V CA -3.138 59.132 62.300 -0.050 0.000 0.963 85 V CB 0.881 32.793 31.823 0.148 0.000 1.025 85 V HN 0.298 nan 8.190 nan 0.000 0.432 86 P HA 0.069 nan 4.420 nan 0.000 0.266 86 P C 0.745 177.630 177.300 -0.693 0.000 1.193 86 P CA 0.353 63.071 63.100 -0.637 0.000 0.770 86 P CB 0.573 31.775 31.700 -0.831 0.000 0.836 87 E N 2.564 122.216 120.200 -0.913 0.000 2.150 87 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 87 E C 1.221 177.280 176.600 -0.903 0.000 0.985 87 E CA 0.969 56.360 56.400 -1.682 0.000 0.814 87 E CB -0.118 28.769 29.700 -1.355 0.000 0.752 87 E HN 0.437 nan 8.360 nan 0.000 0.466 88 E N -0.125 119.829 120.200 -0.410 0.000 2.409 88 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 88 E C 0.980 177.681 176.600 0.169 0.000 1.024 88 E CA 0.559 56.902 56.400 -0.095 0.000 0.861 88 E CB -0.360 29.337 29.700 -0.004 0.000 0.788 88 E HN 0.502 nan 8.360 nan 0.000 0.521 89 W N -0.033 121.189 121.300 -0.130 0.000 2.737 89 W HA 0.123 4.783 4.660 -0.000 0.000 0.262 89 W C 1.504 178.076 176.519 0.089 0.000 1.282 89 W CA -0.921 56.431 57.345 0.012 0.000 1.386 89 W CB -0.856 28.660 29.460 0.094 0.000 1.099 89 W HN 0.104 nan 8.180 nan 0.000 0.621 90 W N 0.701 122.013 121.300 0.021 0.000 2.335 90 W HA -0.199 4.460 4.660 -0.001 0.000 0.311 90 W C 2.385 178.772 176.519 -0.221 0.000 1.213 90 W CA 1.393 58.642 57.345 -0.161 0.000 1.274 90 W CB -1.685 27.649 29.460 -0.210 0.000 1.148 90 W HN -0.011 nan 8.180 nan 0.000 0.498 91 Q N 0.197 120.034 119.800 0.062 0.000 2.137 91 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 91 Q C 2.049 177.988 176.000 -0.103 0.000 0.960 91 Q CA 1.455 57.209 55.803 -0.081 0.000 0.847 91 Q CB -0.696 28.009 28.738 -0.056 0.000 0.915 91 Q HN 0.345 nan 8.270 nan 0.000 0.448 92 I N -0.238 120.310 120.570 -0.037 0.000 2.163 92 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 92 I C 2.002 178.082 176.117 -0.062 0.000 1.085 92 I CA 1.149 62.419 61.300 -0.049 0.000 1.347 92 I CB -0.329 37.643 38.000 -0.046 0.000 1.044 92 I HN 0.186 nan 8.210 nan 0.000 0.408 93 I N 0.267 120.811 120.570 -0.044 0.000 2.226 93 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 93 I C 2.733 178.737 176.117 -0.187 0.000 1.100 93 I CA 1.385 62.655 61.300 -0.050 0.000 1.374 93 I CB -0.360 37.632 38.000 -0.015 0.000 1.057 93 I HN 0.108 nan 8.210 nan 0.000 0.413 94 R N 0.517 120.753 120.500 -0.439 0.000 2.105 94 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 94 R C 1.441 177.512 176.300 -0.381 0.000 1.135 94 R CA 1.562 57.131 56.100 -0.886 0.000 0.967 94 R CB -0.302 29.295 30.300 -1.171 0.000 0.861 94 R HN 0.367 nan 8.270 nan 0.000 0.442 95 D N -0.845 119.435 120.400 -0.200 0.000 2.347 95 D HA -0.002 4.638 4.640 -0.000 0.000 0.213 95 D C 0.896 177.198 176.300 0.003 0.000 0.985 95 D CA 0.708 54.669 54.000 -0.065 0.000 0.879 95 D CB 0.153 40.917 40.800 -0.060 0.000 0.919 95 D HN 0.215 nan 8.370 nan 0.000 0.526 96 N N -0.468 118.238 118.700 0.009 0.000 2.266 96 N HA 0.004 4.744 4.740 -0.000 0.000 0.217 96 N C 0.216 175.776 175.510 0.082 0.000 1.211 96 N CA -0.038 53.035 53.050 0.038 0.000 0.881 96 N CB 1.916 40.409 38.487 0.009 0.000 1.153 96 N HN -0.034 nan 8.380 nan 0.000 0.489 97 V N 4.276 124.264 119.914 0.123 0.000 2.599 97 V HA 0.121 4.241 4.120 -0.000 0.000 0.300 97 V C -2.202 173.998 176.094 0.176 0.000 1.034 97 V CA -0.990 61.414 62.300 0.173 0.000 1.115 97 V CB 0.726 32.705 31.823 0.259 0.000 0.934 97 V HN 0.025 nan 8.190 nan 0.000 0.485 98 P HA 0.238 nan 4.420 nan 0.000 0.268 98 P C -0.480 176.908 177.300 0.146 0.000 1.205 98 P CA 0.074 63.245 63.100 0.120 0.000 0.771 98 P CB 0.542 32.292 31.700 0.084 0.000 0.858 99 A N 3.590 126.489 122.820 0.131 0.000 2.507 99 A HA 0.102 4.422 4.320 -0.000 0.000 0.235 99 A C 0.013 177.685 177.584 0.146 0.000 1.070 99 A CA -0.112 52.010 52.037 0.143 0.000 0.768 99 A CB -0.540 18.526 19.000 0.110 0.000 1.011 99 A HN 0.546 nan 8.150 nan 0.000 0.502 100 F N 0.696 120.663 119.950 0.029 0.000 2.529 100 F HA 0.307 4.834 4.527 0.001 0.000 0.365 100 F C 0.519 176.321 175.800 0.004 0.000 1.102 100 F CA 0.816 58.825 58.000 0.014 0.000 1.271 100 F CB 0.414 39.408 39.000 -0.010 0.000 1.120 100 F HN 0.617 nan 8.300 nan 0.000 0.579 101 E N 7.947 127.676 120.200 -0.784 0.000 2.317 101 E HA 0.153 4.502 4.350 -0.000 0.000 0.270 101 E C -2.093 173.982 176.600 -0.874 0.000 0.899 101 E CA -1.740 54.320 56.400 -0.567 0.000 0.814 101 E CB 1.848 31.409 29.700 -0.232 0.000 1.296 101 E HN 0.351 nan 8.360 nan 0.000 0.404 102 P HA -0.185 nan 4.420 nan 0.000 0.218 102 P C 0.797 177.834 177.300 -0.438 0.000 1.149 102 P CA 1.216 63.943 63.100 -0.620 0.000 0.817 102 P CB 0.268 31.777 31.700 -0.318 0.000 0.785 103 H N -1.388 117.579 119.070 -0.171 0.000 2.555 103 H HA 0.180 4.736 4.556 0.000 0.000 0.269 103 H C 1.861 177.124 175.328 -0.109 0.000 0.988 103 H CA 0.761 56.746 56.048 -0.105 0.000 1.178 103 H CB 0.133 29.851 29.762 -0.074 0.000 1.373 103 H HN 0.280 nan 8.280 nan 0.000 0.588 104 I N -0.826 119.694 120.570 -0.084 0.000 4.399 104 I HA -0.009 4.160 4.170 -0.000 0.000 0.301 104 I C 0.324 176.391 176.117 -0.083 0.000 1.198 104 I CA 0.171 61.434 61.300 -0.063 0.000 1.315 104 I CB 0.361 38.321 38.000 -0.066 0.000 1.452 104 I HN -0.173 nan 8.210 nan 0.000 0.457 105 T N 5.777 120.226 114.554 -0.176 0.000 2.829 105 T HA 0.111 4.461 4.350 -0.000 0.000 0.293 105 T C -2.233 172.471 174.700 0.006 0.000 0.970 105 T CA -0.545 61.501 62.100 -0.091 0.000 1.168 105 T CB 0.045 68.829 68.868 -0.141 0.000 0.911 105 T HN 0.095 nan 8.240 nan 0.000 0.535 106 P HA 0.192 nan 4.420 nan 0.000 0.277 106 P C 0.194 177.534 177.300 0.066 0.000 1.240 106 P CA -0.547 62.580 63.100 0.044 0.000 0.798 106 P CB 0.464 32.185 31.700 0.035 0.000 0.979 107 T N -0.358 114.231 114.554 0.058 0.000 2.828 107 T HA 0.393 4.743 4.350 -0.000 0.000 0.290 107 T C 0.056 174.774 174.700 0.029 0.000 1.019 107 T CA -0.691 61.439 62.100 0.051 0.000 1.031 107 T CB 0.891 69.785 68.868 0.044 0.000 1.001 107 T HN 0.539 nan 8.240 nan 0.000 0.531 108 R N 0.999 121.507 120.500 0.014 0.000 2.483 108 R HA 0.576 4.916 4.340 -0.000 0.000 0.303 108 R C -0.181 176.108 176.300 -0.017 0.000 0.987 108 R CA 0.297 56.392 56.100 -0.007 0.000 0.881 108 R CB 0.619 30.906 30.300 -0.023 0.000 1.177 108 R HN 1.415 nan 8.270 nan 0.000 0.451 112 K N -0.280 120.121 120.400 0.002 0.000 2.148 112 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 112 K C 2.598 179.203 176.600 0.009 0.000 1.050 112 K CA 1.149 57.439 56.287 0.006 0.000 0.942 112 K CB -0.233 32.264 32.500 -0.005 0.000 0.724 112 K HN 0.276 nan 8.250 nan 0.000 0.446 113 V N 1.070 120.978 119.914 -0.011 0.000 2.295 113 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 113 V C 2.451 178.559 176.094 0.024 0.000 1.049 113 V CA 1.420 63.706 62.300 -0.022 0.000 1.024 113 V CB -0.362 31.418 31.823 -0.071 0.000 0.648 113 V HN -0.011 nan 8.190 nan 0.000 0.447 114 V N -0.491 119.440 119.914 0.029 0.000 2.295 114 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 114 V C 2.602 178.778 176.094 0.137 0.000 1.049 114 V CA 1.746 64.105 62.300 0.097 0.000 1.024 114 V CB -0.657 31.200 31.823 0.057 0.000 0.648 114 V HN 0.511 nan 8.190 nan 0.000 0.447 115 E N -0.551 119.700 120.200 0.084 0.000 2.085 115 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 115 E C 2.287 178.944 176.600 0.096 0.000 0.994 115 E CA 1.699 58.146 56.400 0.078 0.000 0.801 115 E CB -0.788 28.942 29.700 0.049 0.000 0.743 115 E HN 0.681 nan 8.360 nan 0.000 0.453 116 C N 0.235 119.599 119.300 0.107 0.000 2.442 116 C HA -0.158 4.302 4.460 -0.000 0.000 0.279 116 C C 2.601 177.732 174.990 0.236 0.000 1.237 116 C CA 0.798 59.908 59.018 0.153 0.000 1.722 116 C CB -1.439 26.378 27.740 0.129 0.000 2.056 116 C HN 0.442 nan 8.230 nan 0.000 0.469 117 F N 3.025 122.978 119.950 0.006 0.000 2.091 117 F HA -0.210 4.317 4.527 -0.001 0.000 0.299 117 F C 2.646 178.482 175.800 0.059 0.000 1.103 117 F CA 2.645 60.607 58.000 -0.063 0.000 1.228 117 F CB -0.739 38.191 39.000 -0.116 0.000 0.984 117 F HN 0.402 nan 8.300 nan 0.000 0.477 118 R N -0.138 120.393 120.500 0.051 0.000 2.152 118 R HA -0.136 4.203 4.340 -0.000 0.000 0.232 118 R C 1.735 178.009 176.300 -0.043 0.000 1.117 118 R CA 1.864 57.927 56.100 -0.063 0.000 0.981 118 R CB -1.500 28.837 30.300 0.060 0.000 0.870 118 R HN 0.442 nan 8.270 nan 0.000 0.451 119 T N -2.985 111.588 114.554 0.032 0.000 3.129 119 T HA 0.057 4.407 4.350 -0.000 0.000 0.251 119 T C 0.437 175.159 174.700 0.036 0.000 1.117 119 T CA -0.446 61.673 62.100 0.033 0.000 1.034 119 T CB -0.340 68.543 68.868 0.024 0.000 0.968 119 T HN 0.249 nan 8.240 nan 0.000 0.526 120 Y N 2.461 122.679 120.300 -0.136 0.000 2.652 120 Y HA 0.130 4.681 4.550 0.002 0.000 0.344 120 Y C -0.921 174.939 175.900 -0.066 0.000 1.254 120 Y CA -1.842 56.185 58.100 -0.121 0.000 1.480 120 Y CB 0.545 38.884 38.460 -0.201 0.000 1.345 120 Y HN 0.056 nan 8.280 nan 0.000 0.617 121 P HA -0.183 nan 4.420 nan 0.000 0.214 121 P C 0.257 177.625 177.300 0.112 0.000 1.163 121 P CA 1.722 64.854 63.100 0.054 0.000 0.883 121 P CB 0.280 32.000 31.700 0.033 0.000 0.788 122 N N -0.948 117.879 118.700 0.212 0.000 2.320 122 N HA 0.096 4.836 4.740 -0.000 0.000 0.237 122 N C -0.551 175.094 175.510 0.224 0.000 1.129 122 N CA 0.045 53.208 53.050 0.189 0.000 0.854 122 N CB 0.453 39.049 38.487 0.181 0.000 1.083 122 N HN 0.003 nan 8.380 nan 0.000 0.504 123 V N 1.677 121.700 119.914 0.182 0.000 2.498 123 V HA 0.230 4.350 4.120 -0.000 0.000 0.279 123 V C 0.560 176.686 176.094 0.054 0.000 1.048 123 V CA -0.686 61.655 62.300 0.068 0.000 0.967 123 V CB 1.442 33.119 31.823 -0.244 0.000 0.988 123 V HN 0.015 nan 8.190 nan 0.000 0.473 124 V N 3.223 123.176 119.914 0.065 0.000 2.667 124 V HA 0.742 4.862 4.120 -0.000 0.000 0.308 124 V C -0.352 175.791 176.094 0.081 0.000 1.048 124 V CA -1.018 61.324 62.300 0.070 0.000 0.928 124 V CB 1.678 33.541 31.823 0.068 0.000 1.004 124 V HN 0.865 nan 8.190 nan 0.000 0.444 125 R N 2.188 122.729 120.500 0.067 0.000 2.637 125 R HA 0.676 5.016 4.340 -0.000 0.000 0.291 125 R C 0.291 176.668 176.300 0.129 0.000 0.963 125 R CA -0.070 56.097 56.100 0.112 0.000 0.901 125 R CB 2.126 32.483 30.300 0.095 0.000 1.160 125 R HN 1.142 nan 8.270 nan 0.000 0.457 126 S N 1.385 117.189 115.700 0.173 0.000 2.624 126 S HA 0.057 4.527 4.470 -0.000 0.000 0.263 126 S C 0.589 175.290 174.600 0.168 0.000 1.287 126 S CA -0.566 57.724 58.200 0.151 0.000 0.990 126 S CB 1.131 64.432 63.200 0.168 0.000 0.950 126 S HN 0.759 nan 8.310 nan 0.000 0.561 127 N N -0.224 118.542 118.700 0.109 0.000 2.336 127 N HA -0.008 4.732 4.740 -0.000 0.000 0.189 127 N C 0.022 175.438 175.510 -0.157 0.000 1.113 127 N CA 0.034 53.148 53.050 0.108 0.000 0.858 127 N CB -0.413 38.114 38.487 0.066 0.000 0.970 127 N HN 0.739 nan 8.380 nan 0.000 0.471 128 H N 0.994 119.861 119.070 -0.338 0.000 2.764 128 H HA 0.084 4.639 4.556 -0.001 0.000 0.341 128 H C -1.655 173.094 175.328 -0.965 0.000 1.072 128 H CA -0.996 54.763 56.048 -0.481 0.000 1.444 128 H CB 1.541 31.136 29.762 -0.279 0.000 1.458 128 H HN 0.144 nan 8.280 nan 0.000 0.572 129 P HA -0.016 nan 4.420 nan 0.000 0.236 129 P C 0.931 178.069 177.300 -0.270 0.000 1.177 129 P CA 0.704 63.354 63.100 -0.750 0.000 0.773 129 P CB 0.774 32.270 31.700 -0.340 0.000 0.878 130 L N -2.599 118.651 121.223 0.044 0.000 2.758 130 L HA 0.377 4.717 4.340 -0.000 0.000 0.234 130 L C 1.603 178.519 176.870 0.076 0.000 1.049 130 L CA 0.692 55.627 54.840 0.158 0.000 0.908 130 L CB -0.225 42.014 42.059 0.300 0.000 1.362 130 L HN -0.094 nan 8.230 nan 0.000 0.499 131 G N 0.983 109.815 108.800 0.054 0.000 4.757 131 G HA2 0.245 4.205 3.960 -0.000 0.000 0.303 131 G HA3 0.245 4.205 3.960 -0.000 0.000 0.303 131 G C 0.245 175.005 174.900 -0.233 0.000 1.318 131 G CA 0.013 44.979 45.100 -0.223 0.000 1.020 131 G HN 0.182 nan 8.290 nan 0.000 0.589 132 S N -0.355 115.254 115.700 -0.151 0.000 2.614 132 S HA 0.752 5.222 4.470 -0.000 0.000 0.265 132 S C -0.611 173.903 174.600 -0.144 0.000 1.303 132 S CA -0.299 57.890 58.200 -0.019 0.000 1.000 132 S CB 1.223 64.451 63.200 0.046 0.000 0.935 132 S HN 0.092 nan 8.310 nan 0.000 0.551 133 F N -0.447 119.535 119.950 0.053 0.000 2.576 133 F HA 0.694 5.221 4.527 -0.000 0.000 0.313 133 F C 0.326 176.195 175.800 0.115 0.000 1.078 133 F CA -0.774 57.271 58.000 0.074 0.000 0.921 133 F CB 2.185 41.214 39.000 0.048 0.000 1.232 133 F HN 0.921 nan 8.300 nan 0.000 0.459 134 A N 1.691 124.716 122.820 0.342 0.000 2.325 134 A HA 0.965 5.285 4.320 -0.000 0.000 0.333 134 A C -1.156 176.683 177.584 0.424 0.000 1.155 134 A CA -0.413 51.808 52.037 0.308 0.000 0.814 134 A CB 1.171 20.313 19.000 0.237 0.000 1.206 134 A HN 1.050 nan 8.150 nan 0.000 0.482 135 A N 0.327 123.345 122.820 0.330 0.000 2.539 135 A HA 0.731 5.051 4.320 -0.000 0.000 0.296 135 A C -1.590 176.220 177.584 0.377 0.000 1.073 135 A CA -0.319 51.951 52.037 0.389 0.000 0.700 135 A CB 0.959 20.102 19.000 0.239 0.000 1.296 135 A HN 1.539 nan 8.150 nan 0.000 0.405 136 W N 1.309 122.760 121.300 0.252 0.000 2.883 136 W HA 0.580 5.240 4.660 0.001 0.000 0.335 136 W C 0.276 176.862 176.519 0.111 0.000 1.083 136 W CA 0.914 58.350 57.345 0.150 0.000 1.233 136 W CB 1.799 31.393 29.460 0.223 0.000 1.412 136 W HN 1.995 nan 8.180 nan 0.000 0.490 137 G N 3.341 111.723 108.800 -0.698 0.000 2.396 137 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 137 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 137 G C 0.463 175.136 174.900 -0.379 0.000 1.248 137 G CA -0.228 44.462 45.100 -0.684 0.000 1.033 137 G HN 0.818 nan 8.290 nan 0.000 0.502 138 R N -0.346 119.955 120.500 -0.332 0.000 2.091 138 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 138 R C 1.759 177.809 176.300 -0.417 0.000 1.136 138 R CA 2.313 58.174 56.100 -0.397 0.000 0.959 138 R CB -0.316 29.690 30.300 -0.490 0.000 0.856 138 R HN 0.693 nan 8.270 nan 0.000 0.437 139 H N -1.268 117.767 119.070 -0.058 0.000 2.487 139 H HA 0.294 4.849 4.556 -0.000 0.000 0.290 139 H C 1.191 176.509 175.328 -0.017 0.000 1.081 139 H CA 0.129 56.158 56.048 -0.031 0.000 1.116 139 H CB 0.980 30.732 29.762 -0.017 0.000 1.560 139 H HN 0.316 nan 8.280 nan 0.000 0.548 140 A N 0.899 123.745 122.820 0.043 0.000 1.908 140 A HA -0.244 4.075 4.320 -0.000 0.000 0.218 140 A C 1.902 179.521 177.584 0.058 0.000 1.181 140 A CA 1.919 53.992 52.037 0.060 0.000 0.627 140 A CB -0.039 18.972 19.000 0.019 0.000 0.818 140 A HN 0.404 nan 8.150 nan 0.000 0.445 141 E N 0.278 120.498 120.200 0.034 0.000 2.072 141 E HA -0.128 4.221 4.350 -0.000 0.000 0.190 141 E C 1.907 178.531 176.600 0.040 0.000 0.982 141 E CA 1.354 57.773 56.400 0.032 0.000 0.803 141 E CB -0.430 29.278 29.700 0.014 0.000 0.755 141 E HN 0.927 nan 8.360 nan 0.000 0.453 142 E N 1.345 121.578 120.200 0.054 0.000 2.106 142 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 142 E C 2.050 178.664 176.600 0.024 0.000 0.984 142 E CA 0.982 57.409 56.400 0.045 0.000 0.806 142 E CB -0.364 29.377 29.700 0.069 0.000 0.750 142 E HN 0.261 nan 8.360 nan 0.000 0.458 143 I N 1.851 122.441 120.570 0.033 0.000 2.286 143 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 143 I C 2.429 178.537 176.117 -0.015 0.000 1.115 143 I CA 1.818 63.114 61.300 -0.006 0.000 1.392 143 I CB -0.299 37.707 38.000 0.010 0.000 1.065 143 I HN 0.401 nan 8.210 nan 0.000 0.418 144 T N -2.628 111.942 114.554 0.027 0.000 3.044 144 T HA 0.156 4.506 4.350 -0.000 0.000 0.250 144 T C 0.717 175.441 174.700 0.040 0.000 1.081 144 T CA -0.144 61.984 62.100 0.047 0.000 1.040 144 T CB -0.272 68.648 68.868 0.088 0.000 0.962 144 T HN 0.045 nan 8.240 nan 0.000 0.506 145 V N 2.719 122.648 119.914 0.026 0.000 2.637 145 V HA 0.262 4.381 4.120 -0.000 0.000 0.296 145 V C -0.031 176.070 176.094 0.012 0.000 1.046 145 V CA -0.058 62.255 62.300 0.022 0.000 1.066 145 V CB -0.573 31.262 31.823 0.019 0.000 0.968 145 V HN 0.823 nan 8.190 nan 0.000 0.483 146 N N 2.959 121.667 118.700 0.013 0.000 2.758 146 N HA -0.196 4.543 4.740 -0.000 0.000 0.248 146 N C 0.065 175.575 175.510 0.000 0.000 1.076 146 N CA 1.016 54.068 53.050 0.003 0.000 0.696 146 N CB -0.752 37.734 38.487 -0.002 0.000 0.979 146 N HN 0.919 nan 8.380 nan 0.000 0.550 147 Q N 1.266 121.073 119.800 0.012 0.000 2.311 147 Q HA 0.200 4.540 4.340 -0.000 0.000 0.272 147 Q C 0.226 176.237 176.000 0.019 0.000 1.012 147 Q CA -0.136 55.678 55.803 0.018 0.000 0.891 147 Q CB 0.628 29.398 28.738 0.053 0.000 1.201 147 Q HN 0.412 nan 8.270 nan 0.000 0.391 148 S N 3.327 119.033 115.700 0.010 0.000 2.592 148 S HA 0.083 4.552 4.470 -0.000 0.000 0.271 148 S C 0.711 175.316 174.600 0.008 0.000 1.326 148 S CA -0.841 57.355 58.200 -0.007 0.000 1.024 148 S CB 1.131 64.326 63.200 -0.008 0.000 0.921 148 S HN 0.780 nan 8.310 nan 0.000 0.527 149 L N 2.400 123.552 121.223 -0.118 0.000 2.023 149 L HA 0.162 4.502 4.340 -0.000 0.000 0.205 149 L C 1.556 178.247 176.870 -0.300 0.000 1.073 149 L CA 1.625 56.241 54.840 -0.373 0.000 0.745 149 L CB -0.974 40.741 42.059 -0.574 0.000 0.900 149 L HN 0.807 nan 8.230 nan 0.000 0.435 153 L N 2.554 123.795 121.223 0.030 0.000 2.928 153 L HA 0.606 4.946 4.340 -0.000 0.000 0.246 153 L C 1.241 178.125 176.870 0.023 0.000 1.239 153 L CA -0.021 54.799 54.840 -0.034 0.000 1.035 153 L CB 0.241 42.115 42.059 -0.308 0.000 1.360 153 L HN 0.495 nan 8.230 nan 0.000 0.529 154 G N -0.477 108.355 108.800 0.052 0.000 2.945 154 G HA2 0.146 4.106 3.960 -0.000 0.000 0.156 154 G HA3 0.146 4.106 3.960 -0.000 0.000 0.156 154 G C 0.635 175.519 174.900 -0.027 0.000 1.375 154 G CA -0.166 44.953 45.100 0.032 0.000 1.039 154 G HN 0.050 nan 8.290 nan 0.000 0.586 155 E N 0.502 120.682 120.200 -0.033 0.000 2.418 155 E HA -0.019 4.331 4.350 -0.000 0.000 0.197 155 E C 1.000 177.569 176.600 -0.052 0.000 1.026 155 E CA 0.548 56.912 56.400 -0.060 0.000 0.862 155 E CB 0.316 29.981 29.700 -0.058 0.000 0.799 155 E HN 0.463 nan 8.360 nan 0.000 0.518 156 E N 1.040 121.218 120.200 -0.037 0.000 2.496 156 E HA 0.083 4.433 4.350 -0.000 0.000 0.202 156 E C 0.115 176.688 176.600 -0.046 0.000 1.021 156 E CA -0.095 56.284 56.400 -0.035 0.000 1.015 156 E CB 0.550 30.238 29.700 -0.019 0.000 1.102 156 E HN 0.059 nan 8.360 nan 0.000 0.452 157 S N -0.857 114.799 115.700 -0.073 0.000 2.704 157 S HA 0.434 4.904 4.470 -0.000 0.000 0.305 157 S C -2.087 172.392 174.600 -0.201 0.000 1.107 157 S CA -1.434 56.698 58.200 -0.114 0.000 0.993 157 S CB 2.328 65.464 63.200 -0.105 0.000 1.110 157 S HN -0.298 nan 8.310 nan 0.000 0.534 158 P HA -0.130 nan 4.420 nan 0.000 0.218 158 P C 1.405 178.431 177.300 -0.457 0.000 1.152 158 P CA 1.234 64.044 63.100 -0.483 0.000 0.857 158 P CB -0.109 31.030 31.700 -0.936 0.000 0.787 159 L N -1.485 119.457 121.223 -0.468 0.000 2.079 159 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 159 L C 2.671 179.474 176.870 -0.111 0.000 1.081 159 L CA 1.446 56.137 54.840 -0.248 0.000 0.752 159 L CB -0.557 41.414 42.059 -0.147 0.000 0.896 159 L HN -0.070 nan 8.230 nan 0.000 0.433 160 R N 0.825 121.256 120.500 -0.115 0.000 2.090 160 R HA -0.104 4.235 4.340 -0.000 0.000 0.228 160 R C 2.103 178.392 176.300 -0.018 0.000 1.110 160 R CA 1.408 57.467 56.100 -0.068 0.000 0.973 160 R CB -0.140 30.102 30.300 -0.097 0.000 0.869 160 R HN 0.201 nan 8.270 nan 0.000 0.440 161 K N -0.169 120.190 120.400 -0.068 0.000 2.148 161 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 161 K C 1.983 178.551 176.600 -0.054 0.000 1.050 161 K CA 1.412 57.663 56.287 -0.060 0.000 0.942 161 K CB -0.105 32.346 32.500 -0.081 0.000 0.724 161 K HN 0.208 nan 8.250 nan 0.000 0.446 162 I N 0.049 120.585 120.570 -0.057 0.000 2.252 162 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 162 I C 2.273 178.386 176.117 -0.007 0.000 1.102 162 I CA 1.180 62.455 61.300 -0.041 0.000 1.385 162 I CB -0.249 37.724 38.000 -0.045 0.000 1.064 162 I HN 0.108 nan 8.210 nan 0.000 0.414 163 Y N 1.858 122.100 120.300 -0.096 0.000 2.114 163 Y HA -0.357 4.193 4.550 -0.001 0.000 0.282 163 Y C 2.140 177.992 175.900 -0.080 0.000 1.165 163 Y CA 1.929 59.980 58.100 -0.082 0.000 1.148 163 Y CB -0.126 38.291 38.460 -0.072 0.000 0.972 163 Y HN 0.204 nan 8.280 nan 0.000 0.504 164 D N 0.030 120.521 120.400 0.152 0.000 2.264 164 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 164 D C 1.628 177.894 176.300 -0.058 0.000 0.966 164 D CA 1.121 55.158 54.000 0.060 0.000 0.864 164 D CB -0.158 40.661 40.800 0.033 0.000 0.933 164 D HN 0.412 nan 8.370 nan 0.000 0.499 165 L N 0.093 121.260 121.223 -0.093 0.000 2.611 165 L HA 0.036 4.376 4.340 -0.000 0.000 0.229 165 L C 0.083 176.881 176.870 -0.119 0.000 1.137 165 L CA -0.117 54.643 54.840 -0.132 0.000 0.901 165 L CB 0.008 41.962 42.059 -0.174 0.000 1.098 165 L HN -0.112 nan 8.230 nan 0.000 0.456 166 D N 1.063 121.360 120.400 -0.172 0.000 2.689 166 D HA -0.145 4.495 4.640 -0.000 0.000 0.237 166 D C 0.764 176.942 176.300 -0.204 0.000 1.148 166 D CA 0.786 54.646 54.000 -0.233 0.000 0.656 166 D CB -0.540 40.147 40.800 -0.189 0.000 1.050 166 D HN 0.424 nan 8.370 nan 0.000 0.426 167 G N -0.704 108.007 108.800 -0.148 0.000 2.611 167 G HA2 0.445 4.405 3.960 -0.000 0.000 0.273 167 G HA3 0.445 4.405 3.960 -0.000 0.000 0.273 167 G C -0.381 174.435 174.900 -0.139 0.000 1.305 167 G CA -0.464 44.612 45.100 -0.039 0.000 1.010 167 G HN 0.242 nan 8.290 nan 0.000 0.509 168 Y N -1.737 118.549 120.300 -0.024 0.000 2.562 168 Y HA 0.575 5.125 4.550 -0.000 0.000 0.343 168 Y C 0.313 176.206 175.900 -0.010 0.000 1.025 168 Y CA -0.636 57.455 58.100 -0.015 0.000 1.082 168 Y CB 2.351 40.804 38.460 -0.012 0.000 1.264 168 Y HN 0.219 nan 8.280 nan 0.000 0.478 169 I N 3.390 124.059 120.570 0.164 0.000 2.406 169 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 169 I C -1.395 174.777 176.117 0.092 0.000 0.999 169 I CA -0.808 60.555 61.300 0.106 0.000 1.124 169 I CB 1.678 39.722 38.000 0.074 0.000 1.289 169 I HN 0.244 nan 8.210 nan 0.000 0.441 170 L N 8.246 129.500 121.223 0.051 0.000 2.298 170 L HA 0.564 4.904 4.340 -0.000 0.000 0.284 170 L C -1.191 175.684 176.870 0.009 0.000 1.013 170 L CA -0.154 54.691 54.840 0.009 0.000 0.824 170 L CB 1.060 43.099 42.059 -0.033 0.000 1.221 170 L HN 0.450 nan 8.230 nan 0.000 0.418 171 L N 6.788 127.999 121.223 -0.019 0.000 2.287 171 L HA 0.518 4.858 4.340 -0.000 0.000 0.287 171 L C -0.593 176.251 176.870 -0.043 0.000 1.022 171 L CA -0.421 54.399 54.840 -0.032 0.000 0.814 171 L CB 1.555 43.535 42.059 -0.131 0.000 1.217 171 L HN 0.559 nan 8.230 nan 0.000 0.420 172 I N 3.162 123.713 120.570 -0.032 0.000 2.359 172 I HA 0.301 4.471 4.170 -0.000 0.000 0.284 172 I C 1.026 177.124 176.117 -0.032 0.000 1.018 172 I CA -0.173 61.103 61.300 -0.039 0.000 1.173 172 I CB 1.468 39.438 38.000 -0.050 0.000 1.326 172 I HN 0.905 nan 8.210 nan 0.000 0.462 173 G N 4.751 113.532 108.800 -0.031 0.000 2.168 173 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.257 173 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.257 173 G C 0.022 174.908 174.900 -0.023 0.000 0.997 173 G CA 0.481 45.567 45.100 -0.023 0.000 0.708 173 G HN 0.704 nan 8.290 nan 0.000 0.520 174 V N -3.252 116.640 119.914 -0.036 0.000 3.102 174 V HA 1.047 5.167 4.120 -0.000 0.000 0.312 174 V C 0.703 176.754 176.094 -0.071 0.000 1.135 174 V CA -0.124 62.152 62.300 -0.040 0.000 1.022 174 V CB 1.726 33.528 31.823 -0.035 0.000 1.056 174 V HN 1.168 nan 8.190 nan 0.000 0.436 175 G N -0.605 108.164 108.800 -0.052 0.000 2.642 175 G HA2 0.453 4.412 3.960 -0.000 0.000 0.291 175 G HA3 0.453 4.412 3.960 -0.000 0.000 0.291 175 G C -0.374 174.485 174.900 -0.069 0.000 1.345 175 G CA -0.496 44.583 45.100 -0.034 0.000 1.043 175 G HN 0.773 nan 8.290 nan 0.000 0.528 176 Y N 0.232 120.530 120.300 -0.004 0.000 2.509 176 Y HA -0.058 4.492 4.550 0.000 0.000 0.293 176 Y C 2.625 178.579 175.900 0.089 0.000 1.133 176 Y CA 1.367 59.471 58.100 0.006 0.000 1.283 176 Y CB 0.296 38.752 38.460 -0.008 0.000 1.001 176 Y HN 0.521 nan 8.280 nan 0.000 0.555 177 D N -1.605 118.901 120.400 0.177 0.000 2.350 177 D HA -0.102 4.537 4.640 -0.000 0.000 0.216 177 D C 1.263 177.578 176.300 0.025 0.000 0.968 177 D CA 0.985 55.041 54.000 0.092 0.000 0.894 177 D CB -0.393 40.406 40.800 -0.002 0.000 0.909 177 D HN 0.192 nan 8.370 nan 0.000 0.520 178 S N -0.112 115.562 115.700 -0.043 0.000 2.556 178 S HA -0.010 4.459 4.470 -0.000 0.000 0.216 178 S C 0.656 174.998 174.600 -0.429 0.000 0.970 178 S CA -0.575 57.524 58.200 -0.169 0.000 0.912 178 S CB -0.230 62.873 63.200 -0.161 0.000 0.790 178 S HN 0.170 nan 8.310 nan 0.000 0.504 179 N N 2.666 121.228 118.700 -0.229 0.000 2.663 179 N HA 0.131 4.871 4.740 -0.000 0.000 0.250 179 N C 0.724 176.162 175.510 -0.121 0.000 1.129 179 N CA 0.163 53.019 53.050 -0.324 0.000 0.995 179 N CB 0.339 38.736 38.487 -0.150 0.000 1.324 179 N HN 0.063 nan 8.380 nan 0.000 0.512 180 T N 0.347 114.813 114.554 -0.147 0.000 2.759 180 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 180 T C 1.825 176.565 174.700 0.066 0.000 1.042 180 T CA 1.338 63.486 62.100 0.081 0.000 1.140 180 T CB -0.023 68.970 68.868 0.209 0.000 0.864 180 T HN 0.413 nan 8.240 nan 0.000 0.455 181 S N 0.896 116.633 115.700 0.063 0.000 2.407 181 S HA -0.127 4.342 4.470 -0.000 0.000 0.235 181 S C 2.189 176.732 174.600 -0.094 0.000 1.036 181 S CA 0.903 59.109 58.200 0.009 0.000 1.013 181 S CB -0.561 62.650 63.200 0.019 0.000 0.820 181 S HN 0.364 nan 8.310 nan 0.000 0.476 182 V N 1.690 121.454 119.914 -0.250 0.000 2.759 182 V HA -0.162 3.958 4.120 -0.000 0.000 0.256 182 V C 2.505 178.382 176.094 -0.361 0.000 1.080 182 V CA 1.276 63.297 62.300 -0.466 0.000 1.101 182 V CB -1.266 29.947 31.823 -1.017 0.000 0.698 182 V HN 0.548 nan 8.190 nan 0.000 0.477 183 A N 0.171 122.893 122.820 -0.163 0.000 1.986 183 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 183 A C 2.151 179.779 177.584 0.073 0.000 1.171 183 A CA 2.071 54.159 52.037 0.085 0.000 0.640 183 A CB -0.518 18.425 19.000 -0.095 0.000 0.811 183 A HN 0.460 nan 8.150 nan 0.000 0.451 184 L N 0.039 121.260 121.223 -0.003 0.000 2.083 184 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 184 L C 2.512 179.379 176.870 -0.005 0.000 1.083 184 L CA 2.407 57.241 54.840 -0.010 0.000 0.752 184 L CB -0.772 41.256 42.059 -0.051 0.000 0.899 184 L HN 0.321 nan 8.230 nan 0.000 0.433 185 S N -0.483 115.228 115.700 0.019 0.000 2.368 185 S HA -0.183 4.286 4.470 -0.000 0.000 0.225 185 S C 1.737 176.379 174.600 0.070 0.000 1.030 185 S CA 1.426 59.685 58.200 0.098 0.000 0.999 185 S CB -0.299 63.026 63.200 0.209 0.000 0.844 185 S HN 0.562 nan 8.310 nan 0.000 0.459 186 E N 0.695 120.881 120.200 -0.023 0.000 2.051 186 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 186 E C 2.176 178.673 176.600 -0.171 0.000 0.991 186 E CA 1.256 57.461 56.400 -0.326 0.000 0.799 186 E CB -0.328 29.311 29.700 -0.102 0.000 0.748 186 E HN 0.280 nan 8.360 nan 0.000 0.449 187 V N 1.370 121.277 119.914 -0.011 0.000 2.287 187 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 187 V C 2.206 178.274 176.094 -0.043 0.000 1.053 187 V CA 1.835 64.131 62.300 -0.007 0.000 1.027 187 V CB -0.484 31.374 31.823 0.058 0.000 0.646 187 V HN 0.199 nan 8.190 nan 0.000 0.447 188 R N 0.435 120.911 120.500 -0.039 0.000 2.280 188 R HA -0.060 4.280 4.340 -0.000 0.000 0.207 188 R C 2.260 178.547 176.300 -0.022 0.000 1.043 188 R CA 1.315 57.393 56.100 -0.038 0.000 1.006 188 R CB -0.196 30.078 30.300 -0.043 0.000 0.885 188 R HN 0.710 nan 8.270 nan 0.000 0.467 189 S N -1.783 113.897 115.700 -0.032 0.000 2.505 189 S HA 0.155 4.625 4.470 -0.000 0.000 0.216 189 S C 1.330 175.900 174.600 -0.050 0.000 1.018 189 S CA 0.326 58.521 58.200 -0.007 0.000 0.911 189 S CB 1.082 64.331 63.200 0.082 0.000 0.818 189 S HN 0.367 nan 8.310 nan 0.000 0.497 190 G N 0.952 109.694 108.800 -0.096 0.000 2.136 190 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.242 190 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.242 190 G C 0.699 175.525 174.900 -0.124 0.000 0.989 190 G CA -0.002 45.042 45.100 -0.092 0.000 0.682 190 G HN 1.293 nan 8.290 nan 0.000 0.522 191 A N -1.310 121.374 122.820 -0.227 0.000 2.251 191 A HA 0.580 4.900 4.320 -0.000 0.000 0.209 191 A C 1.180 178.642 177.584 -0.202 0.000 1.187 191 A CA 1.273 53.157 52.037 -0.255 0.000 0.823 191 A CB 0.028 18.645 19.000 -0.639 0.000 0.846 191 A HN 0.940 nan 8.150 nan 0.000 0.486 192 C N -0.656 118.530 119.300 -0.190 0.000 2.848 192 C HA 0.500 4.960 4.460 -0.000 0.000 0.317 192 C C 0.205 175.115 174.990 -0.134 0.000 1.260 192 C CA -1.101 57.832 59.018 -0.141 0.000 1.656 192 C CB 1.510 29.151 27.740 -0.164 0.000 2.174 192 C HN 0.535 nan 8.230 nan 0.000 0.479 193 E N 0.736 120.866 120.200 -0.116 0.000 2.390 193 E HA 0.284 4.634 4.350 -0.000 0.000 0.261 193 E C -0.852 175.665 176.600 -0.139 0.000 1.076 193 E CA 0.022 56.359 56.400 -0.105 0.000 0.905 193 E CB 0.603 30.252 29.700 -0.085 0.000 0.984 193 E HN 0.418 nan 8.360 nan 0.000 0.427 194 L N 3.349 124.507 121.223 -0.109 0.000 2.350 194 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 194 L C 0.419 177.230 176.870 -0.098 0.000 1.099 194 L CA -0.397 54.377 54.840 -0.109 0.000 0.808 194 L CB 0.386 42.403 42.059 -0.071 0.000 1.149 194 L HN 0.408 nan 8.230 nan 0.000 0.442 195 I N -1.078 119.428 120.570 -0.108 0.000 2.892 195 I HA 0.507 4.677 4.170 -0.000 0.000 0.306 195 I C -0.830 175.254 176.117 -0.054 0.000 1.078 195 I CA -1.165 60.084 61.300 -0.085 0.000 1.032 195 I CB 2.106 40.011 38.000 -0.159 0.000 1.229 195 I HN 0.450 nan 8.210 nan 0.000 0.435 196 K N 3.622 124.018 120.400 -0.008 0.000 2.284 196 K HA 0.514 4.834 4.320 -0.000 0.000 0.287 196 K C -0.464 176.107 176.600 -0.048 0.000 1.081 196 K CA -0.446 55.821 56.287 -0.033 0.000 0.910 196 K CB 1.350 33.849 32.500 -0.002 0.000 1.088 196 K HN 0.554 nan 8.250 nan 0.000 0.478 197 V N -0.468 119.288 119.914 -0.262 0.000 3.166 197 V HA 0.938 5.058 4.120 -0.000 0.000 0.317 197 V C 0.166 175.892 176.094 -0.614 0.000 1.136 197 V CA -0.911 61.172 62.300 -0.361 0.000 1.035 197 V CB 1.840 33.404 31.823 -0.431 0.000 1.110 197 V HN 0.734 nan 8.190 nan 0.000 0.450 198 G N -1.046 107.458 108.800 -0.494 0.000 2.692 198 G HA2 0.972 4.932 3.960 -0.000 0.000 0.291 198 G HA3 0.972 4.932 3.960 -0.000 0.000 0.291 198 G C -1.131 173.278 174.900 -0.818 0.000 1.423 198 G CA -0.307 44.407 45.100 -0.644 0.000 0.843 198 G HN 1.827 nan 8.290 nan 0.000 0.486 199 A N 0.544 122.649 122.820 -1.193 0.000 2.605 199 A HA 0.915 5.235 4.320 -0.000 0.000 0.294 199 A C -3.264 173.867 177.584 -0.755 0.000 1.062 199 A CA -1.179 50.336 52.037 -0.870 0.000 0.682 199 A CB 2.215 21.108 19.000 -0.178 0.000 1.278 199 A HN 0.569 nan 8.150 nan 0.000 0.410 200 P HA 0.631 nan 4.420 nan 0.000 0.292 200 P C -0.735 176.585 177.300 0.033 0.000 1.287 200 P CA -0.027 63.090 63.100 0.027 0.000 0.800 200 P CB 0.808 32.666 31.700 0.264 0.000 0.945 201 I N 0.112 120.696 120.570 0.023 0.000 3.074 201 I HA 0.563 4.733 4.170 -0.000 0.000 0.310 201 I C -0.805 175.343 176.117 0.053 0.000 1.153 201 I CA -1.724 59.599 61.300 0.038 0.000 0.993 201 I CB 2.076 40.053 38.000 -0.039 0.000 1.237 201 I HN -0.026 nan 8.210 nan 0.000 0.443 202 I N 2.639 123.244 120.570 0.058 0.000 2.312 202 I HA 0.351 4.521 4.170 -0.000 0.000 0.291 202 I C -0.067 176.067 176.117 0.029 0.000 1.031 202 I CA 0.287 61.615 61.300 0.045 0.000 1.293 202 I CB 0.546 38.572 38.000 0.044 0.000 1.403 202 I HN 0.748 nan 8.210 nan 0.000 0.484 203 E N 7.121 127.336 120.200 0.025 0.000 2.191 203 E HA 0.255 4.605 4.350 -0.000 0.000 0.263 203 E C -0.308 176.304 176.600 0.019 0.000 0.881 203 E CA -0.469 55.940 56.400 0.015 0.000 0.757 203 E CB 0.704 30.410 29.700 0.011 0.000 1.147 203 E HN 0.477 nan 8.360 nan 0.000 0.414 204 N N 3.526 122.236 118.700 0.015 0.000 2.716 204 N HA -0.249 4.491 4.740 -0.000 0.000 0.250 204 N C 0.597 176.119 175.510 0.019 0.000 1.033 204 N CA 1.489 54.548 53.050 0.016 0.000 0.727 204 N CB -1.243 37.253 38.487 0.015 0.000 0.950 204 N HN 0.983 nan 8.380 nan 0.000 0.541 205 G N -1.073 107.740 108.800 0.021 0.000 2.179 205 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.260 205 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.260 205 G C -0.151 174.765 174.900 0.027 0.000 0.977 205 G CA 0.751 45.865 45.100 0.023 0.000 0.641 205 G HN 0.639 nan 8.290 nan 0.000 0.533 206 E N -0.091 120.128 120.200 0.031 0.000 2.222 206 E HA 0.600 4.949 4.350 -0.000 0.000 0.267 206 E C 0.485 177.113 176.600 0.047 0.000 0.884 206 E CA -1.056 55.366 56.400 0.037 0.000 0.764 206 E CB 0.684 30.405 29.700 0.036 0.000 1.169 206 E HN 0.306 nan 8.360 nan 0.000 0.413 207 R N 3.384 123.919 120.500 0.057 0.000 2.449 207 R HA 0.245 4.585 4.340 -0.000 0.000 0.296 207 R C -0.821 175.534 176.300 0.091 0.000 1.047 207 R CA -0.016 56.130 56.100 0.077 0.000 1.018 207 R CB 0.067 30.419 30.300 0.086 0.000 0.962 207 R HN 0.383 nan 8.270 nan 0.000 0.428 208 V N 2.391 122.365 119.914 0.101 0.000 2.841 208 V HA 0.422 4.542 4.120 -0.000 0.000 0.310 208 V C -0.685 175.509 176.094 0.166 0.000 1.090 208 V CA -1.308 61.065 62.300 0.122 0.000 0.930 208 V CB 1.844 33.712 31.823 0.076 0.000 1.014 208 V HN 0.859 nan 8.190 nan 0.000 0.425 209 W N 3.990 125.316 121.300 0.045 0.000 2.422 209 W HA 0.523 5.182 4.660 -0.001 0.000 0.349 209 W C -0.322 176.231 176.519 0.057 0.000 1.062 209 W CA -0.406 56.968 57.345 0.049 0.000 1.497 209 W CB 1.271 30.750 29.460 0.032 0.000 1.407 209 W HN 0.806 nan 8.180 nan 0.000 0.393 210 K N 4.274 124.477 120.400 -0.328 0.000 2.143 210 K HA 0.182 4.502 4.320 -0.000 0.000 0.272 210 K C -0.323 176.142 176.600 -0.225 0.000 1.001 210 K CA 0.003 56.189 56.287 -0.167 0.000 0.915 210 K CB 1.016 33.465 32.500 -0.085 0.000 1.047 210 K HN 0.406 nan 8.250 nan 0.000 0.458 211 E N 3.489 123.670 120.200 -0.031 0.000 2.207 211 E HA 0.476 4.826 4.350 -0.000 0.000 0.270 211 E C -0.760 175.910 176.600 0.117 0.000 0.927 211 E CA -0.777 55.596 56.400 -0.045 0.000 0.799 211 E CB 1.177 30.882 29.700 0.007 0.000 1.172 211 E HN 0.513 nan 8.360 nan 0.000 0.404 212 F N -1.793 118.124 119.950 -0.056 0.000 3.169 212 F HA 0.629 5.155 4.527 -0.001 0.000 0.325 212 F C -1.705 174.095 175.800 0.000 0.000 1.175 212 F CA -1.138 56.845 58.000 -0.029 0.000 0.887 212 F CB 0.731 39.706 39.000 -0.041 0.000 1.457 212 F HN 0.157 nan 8.300 nan 0.000 0.496 213 V N 1.299 121.368 119.914 0.258 0.000 2.531 213 V HA 0.533 4.653 4.120 -0.000 0.000 0.301 213 V C -1.311 174.897 176.094 0.190 0.000 1.034 213 V CA -0.205 62.162 62.300 0.111 0.000 0.865 213 V CB 1.364 33.239 31.823 0.086 0.000 0.995 213 V HN 0.805 nan 8.190 nan 0.000 0.424 217 Y N 1.041 121.330 120.300 -0.018 0.000 2.620 217 Y HA 0.278 4.828 4.550 -0.000 0.000 0.330 217 Y C 0.796 176.662 175.900 -0.056 0.000 1.186 217 Y CA 0.009 58.115 58.100 0.010 0.000 1.467 217 Y CB 0.506 39.003 38.460 0.062 0.000 1.262 217 Y HN 0.207 nan 8.280 nan 0.000 0.550 218 D N 1.284 121.724 120.400 0.067 0.000 2.454 218 D HA 0.173 4.813 4.640 -0.000 0.000 0.247 218 D C 0.394 176.425 176.300 -0.448 0.000 1.129 218 D CA -0.508 53.436 54.000 -0.093 0.000 0.877 218 D CB 0.818 41.623 40.800 0.007 0.000 1.082 218 D HN 0.457 nan 8.370 nan 0.000 0.537 219 S N 1.993 117.289 115.700 -0.674 0.000 2.515 219 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 219 S C 1.482 175.705 174.600 -0.628 0.000 0.987 219 S CA 0.371 57.797 58.200 -1.291 0.000 0.936 219 S CB 0.069 62.831 63.200 -0.729 0.000 0.766 219 S HN 0.477 nan 8.310 nan 0.000 0.528 220 D N 1.913 122.141 120.400 -0.287 0.000 2.117 220 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 220 D C 1.835 178.130 176.300 -0.008 0.000 0.987 220 D CA 1.222 55.164 54.000 -0.097 0.000 0.829 220 D CB -0.190 40.588 40.800 -0.036 0.000 0.961 220 D HN 0.392 nan 8.370 nan 0.000 0.460 221 K N -0.939 119.501 120.400 0.065 0.000 2.362 221 K HA -0.053 4.267 4.320 -0.000 0.000 0.200 221 K C 1.555 178.244 176.600 0.148 0.000 1.046 221 K CA 0.322 56.705 56.287 0.160 0.000 0.952 221 K CB -0.043 32.663 32.500 0.343 0.000 0.753 221 K HN 0.187 nan 8.250 nan 0.000 0.466 222 F N 0.085 120.004 119.950 -0.052 0.000 2.234 222 F HA -0.136 4.391 4.527 -0.001 0.000 0.299 222 F C 2.071 177.787 175.800 -0.141 0.000 1.087 222 F CA 0.514 58.459 58.000 -0.092 0.000 1.340 222 F CB -1.002 38.004 39.000 0.009 0.000 1.031 222 F HN -0.220 nan 8.300 nan 0.000 0.500 223 V N -0.304 119.673 119.914 0.105 0.000 2.407 223 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 223 V C 2.324 178.357 176.094 -0.102 0.000 1.055 223 V CA 1.764 64.080 62.300 0.027 0.000 1.049 223 V CB -0.605 31.245 31.823 0.044 0.000 0.662 223 V HN 0.286 nan 8.190 nan 0.000 0.455 224 E N -0.000 120.122 120.200 -0.129 0.000 2.047 224 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 224 E C 2.236 178.574 176.600 -0.437 0.000 0.987 224 E CA 1.348 57.637 56.400 -0.184 0.000 0.799 224 E CB -0.131 29.519 29.700 -0.083 0.000 0.752 224 E HN 0.573 nan 8.360 nan 0.000 0.449 225 I N 0.489 120.604 120.570 -0.757 0.000 2.208 225 I HA -0.225 3.944 4.170 -0.000 0.000 0.245 225 I C 2.475 178.260 176.117 -0.553 0.000 1.097 225 I CA 1.231 62.021 61.300 -0.849 0.000 1.363 225 I CB -0.451 37.048 38.000 -0.835 0.000 1.051 225 I HN 0.196 nan 8.210 nan 0.000 0.413 226 G N 0.403 108.806 108.800 -0.663 0.000 2.418 226 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.217 226 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.217 226 G C 1.701 176.217 174.900 -0.641 0.000 1.158 226 G CA 0.887 45.255 45.100 -1.220 0.000 0.771 226 G HN 0.246 nan 8.290 nan 0.000 0.545 227 V N 0.710 120.423 119.914 -0.335 0.000 2.287 227 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 227 V C 2.639 178.645 176.094 -0.146 0.000 1.053 227 V CA 2.317 64.517 62.300 -0.167 0.000 1.027 227 V CB -0.590 31.188 31.823 -0.074 0.000 0.646 227 V HN 0.444 nan 8.190 nan 0.000 0.447 228 E N -0.816 119.317 120.200 -0.112 0.000 2.106 228 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 228 E C 1.995 178.464 176.600 -0.217 0.000 0.984 228 E CA 1.196 57.598 56.400 0.003 0.000 0.806 228 E CB -0.182 29.695 29.700 0.295 0.000 0.750 228 E HN 0.591 nan 8.360 nan 0.000 0.458 229 F N 2.010 121.537 119.950 -0.704 0.000 2.216 229 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 229 F C 1.792 177.277 175.800 -0.525 0.000 1.085 229 F CA 1.382 58.757 58.000 -1.042 0.000 1.326 229 F CB 0.121 38.544 39.000 -0.962 0.000 1.027 229 F HN -0.066 nan 8.300 nan 0.000 0.497 230 E N -0.616 119.362 120.200 -0.369 0.000 2.274 230 E HA -0.179 4.170 4.350 -0.000 0.000 0.194 230 E C 1.905 178.358 176.600 -0.246 0.000 0.996 230 E CA 0.814 57.043 56.400 -0.285 0.000 0.840 230 E CB -0.107 29.529 29.700 -0.105 0.000 0.772 230 E HN 0.604 nan 8.360 nan 0.000 0.491 231 Q N -0.013 119.664 119.800 -0.205 0.000 2.432 231 Q HA -0.003 4.337 4.340 -0.000 0.000 0.205 231 Q C 1.138 177.045 176.000 -0.155 0.000 0.945 231 Q CA 0.749 56.470 55.803 -0.135 0.000 0.924 231 Q CB 0.335 29.037 28.738 -0.060 0.000 1.016 231 Q HN 0.059 nan 8.270 nan 0.000 0.503 232 K N -1.143 119.097 120.400 -0.268 0.000 2.562 232 K HA 0.205 4.525 4.320 -0.000 0.000 0.218 232 K C 0.417 176.813 176.600 -0.341 0.000 1.374 232 K CA 0.121 56.287 56.287 -0.201 0.000 0.996 232 K CB 1.583 34.083 32.500 -0.000 0.000 1.127 232 K HN 0.047 nan 8.250 nan 0.000 0.603 233 G N 0.480 108.830 108.800 -0.750 0.000 2.735 233 G HA2 0.348 4.308 3.960 -0.000 0.000 0.301 233 G HA3 0.348 4.308 3.960 -0.000 0.000 0.301 233 G C -0.879 173.589 174.900 -0.721 0.000 1.279 233 G CA -0.352 44.173 45.100 -0.958 0.000 1.019 233 G HN -0.126 nan 8.290 nan 0.000 0.497 234 T N 0.194 114.469 114.554 -0.466 0.000 2.727 234 T HA 0.479 4.829 4.350 -0.000 0.000 0.298 234 T C -0.600 174.040 174.700 -0.100 0.000 0.942 234 T CA -0.187 61.794 62.100 -0.199 0.000 0.997 234 T CB 0.917 69.750 68.868 -0.059 0.000 0.917 234 T HN 0.771 nan 8.240 nan 0.000 0.487 235 V N 3.503 123.368 119.914 -0.082 0.000 2.932 235 V HA 0.656 4.776 4.120 -0.000 0.000 0.307 235 V C -0.372 175.738 176.094 0.027 0.000 1.147 235 V CA -0.400 61.928 62.300 0.047 0.000 0.951 235 V CB 2.543 34.443 31.823 0.128 0.000 1.031 235 V HN 0.857 nan 8.190 nan 0.000 0.426 239 K N 0.236 120.630 120.400 -0.011 0.000 2.422 239 K HA 0.564 4.884 4.320 -0.000 0.000 0.251 239 K C -1.298 175.292 176.600 -0.017 0.000 0.933 239 K CA -0.763 55.517 56.287 -0.011 0.000 0.798 239 K CB 2.591 35.087 32.500 -0.006 0.000 1.238 239 K HN 0.338 nan 8.250 nan 0.000 0.428 240 I N 2.204 122.762 120.570 -0.020 0.000 2.405 240 I HA 0.244 4.414 4.170 -0.000 0.000 0.280 240 I C 1.134 177.240 176.117 -0.019 0.000 1.027 240 I CA 0.101 61.385 61.300 -0.025 0.000 1.161 240 I CB -0.095 37.882 38.000 -0.038 0.000 1.300 240 I HN 0.953 nan 8.210 nan 0.000 0.463 241 G N 7.273 116.066 108.800 -0.011 0.000 2.556 241 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.283 241 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.283 241 G C 0.703 175.606 174.900 0.005 0.000 1.177 241 G CA 0.276 45.376 45.100 0.000 0.000 0.978 241 G HN 0.518 nan 8.290 nan 0.000 0.554 242 N N 2.134 120.840 118.700 0.010 0.000 2.398 242 N HA 0.368 5.108 4.740 -0.000 0.000 0.188 242 N C 0.936 176.448 175.510 0.004 0.000 1.122 242 N CA 0.998 54.054 53.050 0.010 0.000 0.866 242 N CB 0.068 38.566 38.487 0.018 0.000 0.970 242 N HN 0.988 nan 8.380 nan 0.000 0.462 243 A N 0.908 123.726 122.820 -0.003 0.000 2.366 243 A HA 0.189 4.509 4.320 -0.000 0.000 0.272 243 A C 0.571 178.149 177.584 -0.009 0.000 1.135 243 A CA -0.310 51.722 52.037 -0.009 0.000 0.804 243 A CB 0.707 19.696 19.000 -0.018 0.000 1.064 243 A HN -0.148 nan 8.150 nan 0.000 0.499 244 K N 1.901 122.296 120.400 -0.007 0.000 2.276 244 K HA 0.388 4.707 4.320 -0.000 0.000 0.285 244 K C -1.151 175.439 176.600 -0.016 0.000 1.062 244 K CA 0.032 56.315 56.287 -0.006 0.000 0.918 244 K CB 0.217 32.717 32.500 0.001 0.000 1.055 244 K HN 0.755 nan 8.250 nan 0.000 0.477 245 C N 3.646 122.936 119.300 -0.017 0.000 2.614 245 C HA 0.612 5.072 4.460 -0.000 0.000 0.320 245 C C -0.200 174.778 174.990 -0.021 0.000 1.200 245 C CA -1.012 57.990 59.018 -0.027 0.000 1.700 245 C CB 1.390 29.113 27.740 -0.029 0.000 2.275 245 C HN 0.771 nan 8.230 nan 0.000 0.492 246 R N 0.960 121.440 120.500 -0.033 0.000 2.621 246 R HA 0.805 5.145 4.340 -0.000 0.000 0.292 246 R C -1.124 175.179 176.300 0.005 0.000 0.969 246 R CA -0.438 55.654 56.100 -0.013 0.000 0.887 246 R CB 1.641 31.914 30.300 -0.044 0.000 1.180 246 R HN 0.577 nan 8.270 nan 0.000 0.450 250 Q N 1.667 121.344 119.800 -0.206 0.000 2.135 250 Q HA -0.114 4.226 4.340 -0.000 0.000 0.204 250 Q C 1.237 177.174 176.000 -0.105 0.000 0.981 250 Q CA 1.748 57.483 55.803 -0.113 0.000 0.856 250 Q CB 0.264 28.959 28.738 -0.073 0.000 0.902 250 Q HN 0.394 nan 8.270 nan 0.000 0.425 251 R N 0.135 120.496 120.500 -0.232 0.000 2.092 251 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 251 R C 1.771 178.047 176.300 -0.039 0.000 1.119 251 R CA 1.315 57.262 56.100 -0.255 0.000 0.970 251 R CB -0.043 29.943 30.300 -0.524 0.000 0.864 251 R HN 0.284 nan 8.270 nan 0.000 0.440 252 D N 0.806 121.187 120.400 -0.031 0.000 2.097 252 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 252 D C 1.747 178.087 176.300 0.066 0.000 0.989 252 D CA 0.982 55.052 54.000 0.117 0.000 0.827 252 D CB -0.160 40.770 40.800 0.217 0.000 0.966 252 D HN 0.088 nan 8.370 nan 0.000 0.456 253 I N 0.311 120.745 120.570 -0.226 0.000 2.286 253 I HA -0.179 3.990 4.170 -0.000 0.000 0.245 253 I C 2.069 178.068 176.117 -0.197 0.000 1.104 253 I CA 0.799 61.724 61.300 -0.624 0.000 1.397 253 I CB -0.111 37.485 38.000 -0.674 0.000 1.072 253 I HN -0.194 nan 8.210 nan 0.000 0.417 254 V N 1.073 120.960 119.914 -0.044 0.000 2.287 254 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 254 V C 2.210 178.376 176.094 0.120 0.000 1.053 254 V CA 2.357 64.696 62.300 0.066 0.000 1.027 254 V CB -0.966 30.973 31.823 0.193 0.000 0.646 254 V HN 0.415 nan 8.190 nan 0.000 0.447 255 D N -0.881 119.625 120.400 0.177 0.000 2.117 255 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 255 D C 1.851 178.254 176.300 0.170 0.000 0.982 255 D CA 1.101 55.207 54.000 0.177 0.000 0.828 255 D CB -0.327 40.588 40.800 0.191 0.000 0.967 255 D HN 0.457 nan 8.370 nan 0.000 0.464 256 F N 1.409 121.399 119.950 0.067 0.000 2.134 256 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 256 F C 2.203 178.039 175.800 0.060 0.000 1.097 256 F CA 1.855 59.913 58.000 0.097 0.000 1.264 256 F CB -0.273 38.829 39.000 0.170 0.000 1.001 256 F HN -0.029 nan 8.300 nan 0.000 0.479 257 G N -1.082 107.810 108.800 0.152 0.000 2.408 257 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 257 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 257 G C 1.624 176.619 174.900 0.158 0.000 1.150 257 G CA 1.225 46.358 45.100 0.055 0.000 0.776 257 G HN 0.377 nan 8.290 nan 0.000 0.542 258 T N 0.698 115.351 114.554 0.165 0.000 2.674 258 T HA -0.090 4.259 4.350 -0.000 0.000 0.265 258 T C 2.214 176.996 174.700 0.136 0.000 1.039 258 T CA 1.613 63.831 62.100 0.196 0.000 1.150 258 T CB -0.170 68.761 68.868 0.106 0.000 0.864 258 T HN 0.369 nan 8.240 nan 0.000 0.427 259 E N 0.112 120.325 120.200 0.021 0.000 2.118 259 E HA -0.156 4.193 4.350 -0.000 0.000 0.195 259 E C 1.740 178.277 176.600 -0.105 0.000 0.992 259 E CA 1.316 57.680 56.400 -0.060 0.000 0.804 259 E CB -0.440 29.182 29.700 -0.130 0.000 0.741 259 E HN 0.690 nan 8.360 nan 0.000 0.458 260 W N -0.595 120.466 121.300 -0.399 0.000 2.381 260 W HA -0.114 4.546 4.660 0.000 0.000 0.301 260 W C 1.587 177.925 176.519 -0.302 0.000 1.205 260 W CA 1.329 58.401 57.345 -0.454 0.000 1.285 260 W CB -0.428 28.669 29.460 -0.605 0.000 1.133 260 W HN 0.054 nan 8.180 nan 0.000 0.521 261 F N 1.043 121.126 119.950 0.222 0.000 2.250 261 F HA -0.133 4.394 4.527 -0.001 0.000 0.301 261 F C 1.733 177.490 175.800 -0.071 0.000 1.077 261 F CA 1.788 59.853 58.000 0.109 0.000 1.348 261 F CB -0.618 38.479 39.000 0.162 0.000 1.040 261 F HN -0.076 nan 8.300 nan 0.000 0.509 262 R N -0.316 120.226 120.500 0.069 0.000 2.564 262 R HA 0.554 4.894 4.340 -0.000 0.000 0.282 262 R C -0.794 175.449 176.300 -0.095 0.000 1.573 262 R CA -0.584 55.505 56.100 -0.018 0.000 1.588 262 R CB 1.038 31.351 30.300 0.021 0.000 1.154 262 R HN -0.103 nan 8.270 nan 0.000 0.606 263 K N 0.000 120.293 120.400 -0.178 0.000 2.780 263 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 263 K CA 0.000 56.120 56.287 -0.278 0.000 0.838 263 K CB 0.000 32.394 32.500 -0.176 0.000 1.064 263 K HN 0.000 nan 8.250 nan 0.000 0.543