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 3eya_1_C DATA FIRST_RESID 2 DATA SEQUENCE KQTVAAYIAK TLESAGVKRI WGVTGDSLNG LSDSLNRMGT IEWMSTRHEE DATA SEQUENCE VAAFAAGAEA QLSGELAVCA GSCGPGNLHL INGLFDCHRN HVPVLAIAAH DATA SEQUENCE IPSSEIGSGY FQETHPQELF RECSHYCELV SSPEQIPQVL AIAMRKAVLN DATA SEQUENCE RGVSVVVLPG DVALKPAPEG ATMHWYHAPQ PVVTPEEEEL RKLAQLLRYS DATA SEQUENCE SNIALMCGSG CAGAHKELVE FAGKIKAPIV HALRGKEHVE YDNPYDVGMT DATA SEQUENCE GLIGFSSGFH TMMNADTLVL LGTQFPYRAF YPTDAKIIQI DINPASIGAH DATA SEQUENCE SKVDMALVGD IKSTLRALLP LVEEKADRKF LDKALEDYRD ARKGLDDLAK DATA SEQUENCE PSEKAIHPQY LAQQISHFAA DDAIFTCDVG TPTVWAARYL KMNGKRRLLG DATA SEQUENCE SFNHGSMANA MPQALGAQAT EPERQVVAMC GDGGFSMLMG DFLSVVQMKL DATA SEQUENCE PVKIVVFNNS VLGFVXXXXX XXXXXXXGTE LHDTNFARIA EACGITGIRV DATA SEQUENCE EKASEVDEAL QRAFSIDGPV LVDVVVAKEE LAIP 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.620 176.600 0.033 0.000 0.988 2 K CA 0.000 56.303 56.287 0.026 0.000 0.838 2 K CB 0.000 32.510 32.500 0.017 0.000 1.064 3 Q N 0.710 120.534 119.800 0.040 0.000 2.575 3 Q HA 0.533 4.873 4.340 -0.001 0.000 0.290 3 Q C -1.101 174.930 176.000 0.051 0.000 0.963 3 Q CA -1.070 54.763 55.803 0.050 0.000 0.783 3 Q CB 1.279 30.062 28.738 0.075 0.000 1.467 3 Q HN 0.672 nan 8.270 nan 0.000 0.402 4 T N -1.998 112.586 114.554 0.050 0.000 2.849 4 T HA 0.269 4.619 4.350 -0.001 0.000 0.284 4 T C 1.273 176.018 174.700 0.075 0.000 1.004 4 T CA -0.284 61.843 62.100 0.045 0.000 1.021 4 T CB 0.991 69.879 68.868 0.032 0.000 1.013 4 T HN 0.429 nan 8.240 nan 0.000 0.527 5 V N 1.723 121.672 119.914 0.058 0.000 2.282 5 V HA -0.193 3.927 4.120 -0.001 0.000 0.249 5 V C 3.088 179.260 176.094 0.130 0.000 1.057 5 V CA 2.500 64.851 62.300 0.084 0.000 1.032 5 V CB -1.638 30.213 31.823 0.047 0.000 0.645 5 V HN 1.090 nan 8.190 nan 0.000 0.447 6 A N -0.259 122.610 122.820 0.083 0.000 1.933 6 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 6 A C 2.414 180.038 177.584 0.067 0.000 1.175 6 A CA 2.101 54.179 52.037 0.068 0.000 0.628 6 A CB -0.746 18.276 19.000 0.036 0.000 0.814 6 A HN 0.597 nan 8.150 nan 0.000 0.444 7 A N -1.507 121.355 122.820 0.071 0.000 1.933 7 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 7 A C 2.124 179.750 177.584 0.071 0.000 1.175 7 A CA 1.618 53.689 52.037 0.057 0.000 0.628 7 A CB -0.800 18.233 19.000 0.054 0.000 0.814 7 A HN 0.761 nan 8.150 nan 0.000 0.444 8 Y N 0.600 120.907 120.300 0.011 0.000 2.181 8 Y HA -0.206 4.344 4.550 -0.001 0.000 0.288 8 Y C 1.961 177.868 175.900 0.010 0.000 1.146 8 Y CA 1.855 59.965 58.100 0.016 0.000 1.164 8 Y CB -0.264 38.208 38.460 0.021 0.000 0.982 8 Y HN 0.274 nan 8.280 nan 0.000 0.515 9 I N 0.220 120.820 120.570 0.051 0.000 2.163 9 I HA -0.357 3.812 4.170 -0.001 0.000 0.243 9 I C 2.708 178.755 176.117 -0.117 0.000 1.085 9 I CA 1.367 62.641 61.300 -0.043 0.000 1.347 9 I CB -0.835 37.197 38.000 0.053 0.000 1.044 9 I HN 0.359 nan 8.210 nan 0.000 0.408 10 A N 0.382 123.165 122.820 -0.061 0.000 1.902 10 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 10 A C 2.344 179.870 177.584 -0.097 0.000 1.181 10 A CA 1.451 53.453 52.037 -0.057 0.000 0.623 10 A CB -0.380 18.608 19.000 -0.020 0.000 0.818 10 A HN 0.190 nan 8.150 nan 0.000 0.443 11 K N -0.536 119.793 120.400 -0.117 0.000 2.097 11 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 11 K C 2.093 178.585 176.600 -0.181 0.000 1.049 11 K CA 1.826 58.039 56.287 -0.124 0.000 0.933 11 K CB -0.761 31.675 32.500 -0.105 0.000 0.717 11 K HN 0.539 nan 8.250 nan 0.000 0.442 12 T N 2.168 116.544 114.554 -0.296 0.000 2.777 12 T HA -0.037 4.312 4.350 -0.001 0.000 0.266 12 T C 2.032 176.572 174.700 -0.268 0.000 1.040 12 T CA 0.829 62.747 62.100 -0.303 0.000 1.141 12 T CB -0.128 68.479 68.868 -0.435 0.000 0.868 12 T HN 0.106 nan 8.240 nan 0.000 0.444 13 L N 0.885 121.960 121.223 -0.247 0.000 2.042 13 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 13 L C 2.813 179.577 176.870 -0.177 0.000 1.076 13 L CA 1.536 56.236 54.840 -0.234 0.000 0.749 13 L CB -0.597 41.367 42.059 -0.159 0.000 0.893 13 L HN 0.355 nan 8.230 nan 0.000 0.432 14 E N -0.120 120.005 120.200 -0.126 0.000 2.058 14 E HA -0.281 4.068 4.350 -0.001 0.000 0.194 14 E C 2.337 178.891 176.600 -0.076 0.000 0.997 14 E CA 1.654 58.006 56.400 -0.081 0.000 0.801 14 E CB 0.003 29.669 29.700 -0.057 0.000 0.746 14 E HN 0.328 nan 8.360 nan 0.000 0.450 15 S N -0.464 115.175 115.700 -0.101 0.000 2.402 15 S HA -0.071 4.399 4.470 -0.001 0.000 0.229 15 S C 1.847 176.392 174.600 -0.092 0.000 1.021 15 S CA 1.046 59.190 58.200 -0.093 0.000 0.974 15 S CB -0.176 62.955 63.200 -0.116 0.000 0.800 15 S HN 0.402 nan 8.310 nan 0.000 0.484 16 A N -0.243 122.452 122.820 -0.210 0.000 2.235 16 A HA 0.455 4.774 4.320 -0.001 0.000 0.208 16 A C 1.662 179.243 177.584 -0.006 0.000 1.172 16 A CA 0.957 52.791 52.037 -0.339 0.000 0.786 16 A CB -1.104 17.360 19.000 -0.892 0.000 0.804 16 A HN 1.377 nan 8.150 nan 0.000 0.479 17 G N -1.246 107.556 108.800 0.003 0.000 2.157 17 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.239 17 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.239 17 G C 0.493 175.387 174.900 -0.009 0.000 0.982 17 G CA 0.477 45.598 45.100 0.035 0.000 0.650 17 G HN 1.781 nan 8.290 nan 0.000 0.527 18 V N -0.229 119.654 119.914 -0.053 0.000 2.673 18 V HA 0.565 4.684 4.120 -0.001 0.000 0.303 18 V C 1.195 177.269 176.094 -0.034 0.000 1.046 18 V CA 1.416 63.689 62.300 -0.045 0.000 1.126 18 V CB 1.137 32.921 31.823 -0.065 0.000 0.934 18 V HN 0.352 nan 8.190 nan 0.000 0.487 19 K N 5.068 125.453 120.400 -0.025 0.000 2.370 19 K HA 0.290 4.609 4.320 -0.001 0.000 0.194 19 K C 0.385 176.944 176.600 -0.067 0.000 1.070 19 K CA 0.265 56.531 56.287 -0.034 0.000 0.998 19 K CB 0.377 32.863 32.500 -0.022 0.000 0.911 19 K HN 0.897 nan 8.250 nan 0.000 0.533 20 R N 0.147 120.597 120.500 -0.085 0.000 2.692 20 R HA 0.487 4.826 4.340 -0.001 0.000 0.269 20 R C -1.414 174.775 176.300 -0.186 0.000 1.030 20 R CA -0.771 55.214 56.100 -0.192 0.000 0.882 20 R CB 1.007 31.089 30.300 -0.363 0.000 1.250 20 R HN -0.144 nan 8.270 nan 0.000 0.465 21 I N 1.125 121.536 120.570 -0.266 0.000 2.465 21 I HA 0.394 4.563 4.170 -0.001 0.000 0.291 21 I C -1.099 174.659 176.117 -0.598 0.000 1.014 21 I CA -0.742 60.423 61.300 -0.225 0.000 1.093 21 I CB 1.690 39.684 38.000 -0.010 0.000 1.267 21 I HN 0.479 nan 8.210 nan 0.000 0.431 22 W N 4.968 126.016 121.300 -0.421 0.000 2.390 22 W HA 0.705 5.364 4.660 -0.002 0.000 0.312 22 W C 0.601 176.768 176.519 -0.587 0.000 1.123 22 W CA 0.022 57.066 57.345 -0.501 0.000 1.202 22 W CB 1.631 30.937 29.460 -0.256 0.000 1.251 22 W HN 0.620 nan 8.180 nan 0.000 0.511 23 G N 0.214 108.678 108.800 -0.559 0.000 2.428 23 G HA2 0.518 4.477 3.960 -0.001 0.000 0.305 23 G HA3 0.518 4.477 3.960 -0.001 0.000 0.305 23 G C -2.163 172.760 174.900 0.040 0.000 1.260 23 G CA -0.803 44.166 45.100 -0.220 0.000 0.853 23 G HN 0.268 nan 8.290 nan 0.000 0.480 24 V N 1.055 121.157 119.914 0.314 0.000 2.709 24 V HA 0.630 4.750 4.120 -0.001 0.000 0.308 24 V C 0.892 177.257 176.094 0.452 0.000 1.062 24 V CA -0.095 62.435 62.300 0.383 0.000 0.901 24 V CB 1.408 33.358 31.823 0.213 0.000 1.003 24 V HN 1.296 nan 8.190 nan 0.000 0.425 25 T N 1.317 116.088 114.554 0.361 0.000 2.652 25 T HA 0.697 5.047 4.350 -0.001 0.000 0.319 25 T C 0.330 175.073 174.700 0.073 0.000 1.029 25 T CA 0.242 62.401 62.100 0.099 0.000 0.990 25 T CB 1.184 69.990 68.868 -0.104 0.000 1.098 25 T HN 1.545 nan 8.240 nan 0.000 0.520 26 G N -0.879 107.927 108.800 0.010 0.000 2.387 26 G HA2 0.396 4.355 3.960 -0.001 0.000 0.294 26 G HA3 0.396 4.355 3.960 -0.001 0.000 0.294 26 G C -0.439 174.461 174.900 0.000 0.000 1.509 26 G CA -0.555 44.559 45.100 0.022 0.000 0.806 26 G HN 0.483 nan 8.290 nan 0.000 0.546 27 D N 0.191 120.602 120.400 0.019 0.000 2.178 27 D HA -0.092 4.547 4.640 -0.001 0.000 0.201 27 D C 2.706 179.015 176.300 0.015 0.000 0.980 27 D CA 1.949 55.958 54.000 0.015 0.000 0.842 27 D CB 0.126 40.950 40.800 0.039 0.000 0.948 27 D HN 0.390 nan 8.370 nan 0.000 0.472 28 S N -0.430 115.289 115.700 0.031 0.000 2.469 28 S HA -0.085 4.384 4.470 -0.001 0.000 0.238 28 S C 1.699 176.312 174.600 0.022 0.000 0.998 28 S CA 0.483 58.704 58.200 0.034 0.000 0.957 28 S CB -0.199 63.031 63.200 0.051 0.000 0.764 28 S HN 0.260 nan 8.310 nan 0.000 0.514 29 L N 1.011 122.234 121.223 -0.001 0.000 2.700 29 L HA 0.294 4.633 4.340 -0.001 0.000 0.234 29 L C 1.420 178.245 176.870 -0.075 0.000 1.156 29 L CA -0.246 54.577 54.840 -0.028 0.000 0.946 29 L CB -0.252 41.781 42.059 -0.044 0.000 1.216 29 L HN 0.115 nan 8.230 nan 0.000 0.493 30 N N 1.135 119.802 118.700 -0.055 0.000 2.069 30 N HA -0.162 4.577 4.740 -0.001 0.000 0.191 30 N C 1.948 177.421 175.510 -0.061 0.000 1.031 30 N CA 1.645 54.656 53.050 -0.067 0.000 0.852 30 N CB -0.380 38.082 38.487 -0.041 0.000 1.018 30 N HN 0.361 nan 8.380 nan 0.000 0.423 31 G N 1.086 109.866 108.800 -0.034 0.000 2.446 31 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.217 31 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.217 31 G C 1.589 176.471 174.900 -0.029 0.000 1.168 31 G CA 0.782 45.870 45.100 -0.021 0.000 0.771 31 G HN 0.276 nan 8.290 nan 0.000 0.551 32 L N 1.027 122.229 121.223 -0.034 0.000 2.017 32 L HA 0.004 4.343 4.340 -0.001 0.000 0.208 32 L C 3.017 179.830 176.870 -0.094 0.000 1.073 32 L CA 2.408 57.226 54.840 -0.037 0.000 0.745 32 L CB -0.740 41.315 42.059 -0.007 0.000 0.894 32 L HN 0.187 nan 8.230 nan 0.000 0.432 33 S N -0.589 115.002 115.700 -0.182 0.000 2.359 33 S HA -0.259 4.210 4.470 -0.001 0.000 0.224 33 S C 1.674 176.181 174.600 -0.154 0.000 1.035 33 S CA 1.553 59.596 58.200 -0.263 0.000 1.018 33 S CB -0.568 62.431 63.200 -0.337 0.000 0.876 33 S HN 0.665 nan 8.310 nan 0.000 0.448 34 D N 0.863 121.200 120.400 -0.106 0.000 2.104 34 D HA -0.073 4.566 4.640 -0.001 0.000 0.194 34 D C 2.022 178.292 176.300 -0.049 0.000 0.994 34 D CA 1.490 55.449 54.000 -0.070 0.000 0.830 34 D CB -0.212 40.558 40.800 -0.050 0.000 0.959 34 D HN 0.235 nan 8.370 nan 0.000 0.452 35 S N -0.556 115.121 115.700 -0.039 0.000 2.356 35 S HA -0.110 4.360 4.470 -0.001 0.000 0.223 35 S C 2.078 176.665 174.600 -0.022 0.000 1.032 35 S CA 0.755 58.943 58.200 -0.020 0.000 1.005 35 S CB -0.338 62.858 63.200 -0.007 0.000 0.867 35 S HN 0.313 nan 8.310 nan 0.000 0.449 36 L N 1.349 122.554 121.223 -0.030 0.000 2.046 36 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 36 L C 2.158 179.014 176.870 -0.023 0.000 1.077 36 L CA 1.270 56.101 54.840 -0.016 0.000 0.747 36 L CB -0.740 41.320 42.059 0.001 0.000 0.896 36 L HN 0.373 nan 8.230 nan 0.000 0.432 37 N N -0.068 118.605 118.700 -0.045 0.000 2.120 37 N HA -0.209 4.530 4.740 -0.001 0.000 0.188 37 N C 1.896 177.391 175.510 -0.025 0.000 1.024 37 N CA 1.252 54.279 53.050 -0.040 0.000 0.852 37 N CB -0.038 38.417 38.487 -0.055 0.000 1.003 37 N HN 0.374 nan 8.380 nan 0.000 0.424 38 R N 0.491 120.977 120.500 -0.023 0.000 2.153 38 R HA 0.063 4.402 4.340 -0.001 0.000 0.218 38 R C 1.977 178.271 176.300 -0.009 0.000 1.072 38 R CA 0.757 56.848 56.100 -0.015 0.000 0.990 38 R CB -0.259 30.033 30.300 -0.012 0.000 0.889 38 R HN 0.224 nan 8.270 nan 0.000 0.452 39 M N 0.933 120.528 119.600 -0.009 0.000 2.156 39 M HA 0.069 4.548 4.480 -0.001 0.000 0.264 39 M C 0.903 177.200 176.300 -0.006 0.000 1.067 39 M CA 1.980 57.276 55.300 -0.007 0.000 1.131 39 M CB 0.002 32.598 32.600 -0.008 0.000 1.368 39 M HN 0.574 nan 8.290 nan 0.000 0.416 40 G N 0.061 108.857 108.800 -0.007 0.000 2.225 40 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.267 40 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.267 40 G C 0.489 175.385 174.900 -0.006 0.000 1.024 40 G CA 0.913 46.009 45.100 -0.006 0.000 0.784 40 G HN 0.573 nan 8.290 nan 0.000 0.507 41 T N -2.940 111.610 114.554 -0.007 0.000 3.125 41 T HA 0.440 4.789 4.350 -0.001 0.000 0.252 41 T C 1.248 175.939 174.700 -0.014 0.000 0.981 41 T CA 0.313 62.407 62.100 -0.010 0.000 1.069 41 T CB 0.386 69.248 68.868 -0.010 0.000 1.091 41 T HN 0.358 nan 8.240 nan 0.000 0.460 42 I N 2.695 123.259 120.570 -0.011 0.000 2.496 42 I HA 0.291 4.461 4.170 -0.001 0.000 0.285 42 I C 0.289 176.404 176.117 -0.003 0.000 1.080 42 I CA -0.410 60.881 61.300 -0.014 0.000 1.404 42 I CB 1.058 39.055 38.000 -0.006 0.000 1.403 42 I HN 0.404 nan 8.210 nan 0.000 0.539 43 E N 7.132 127.308 120.200 -0.040 0.000 2.197 43 E HA 0.079 4.428 4.350 -0.001 0.000 0.281 43 E C -1.148 175.422 176.600 -0.050 0.000 0.995 43 E CA -0.734 55.639 56.400 -0.044 0.000 0.808 43 E CB 1.131 30.770 29.700 -0.102 0.000 1.093 43 E HN 0.562 nan 8.360 nan 0.000 0.394 44 W N 7.600 128.803 121.300 -0.162 0.000 2.335 44 W HA 0.208 4.868 4.660 -0.001 0.000 0.306 44 W C -1.353 175.026 176.519 -0.233 0.000 1.216 44 W CA -0.803 56.440 57.345 -0.171 0.000 1.237 44 W CB 1.060 30.461 29.460 -0.099 0.000 1.243 44 W HN 0.465 nan 8.180 nan 0.000 0.493 45 M N 6.023 125.067 119.600 -0.928 0.000 2.047 45 M HA 0.069 4.548 4.480 -0.001 0.000 0.342 45 M C -0.061 175.827 176.300 -0.686 0.000 1.058 45 M CA -0.317 54.492 55.300 -0.818 0.000 0.991 45 M CB 0.862 32.611 32.600 -1.419 0.000 1.474 45 M HN 0.274 nan 8.290 nan 0.000 0.419 46 S N 3.012 118.534 115.700 -0.297 0.000 2.430 46 S HA 0.515 4.984 4.470 -0.001 0.000 0.289 46 S C 0.373 174.999 174.600 0.044 0.000 1.143 46 S CA -0.375 57.798 58.200 -0.045 0.000 1.067 46 S CB 0.343 63.675 63.200 0.219 0.000 0.964 46 S HN 0.764 nan 8.310 nan 0.000 0.485 47 T N 3.104 117.709 114.554 0.085 0.000 2.910 47 T HA 0.534 4.883 4.350 -0.001 0.000 0.279 47 T C 1.063 175.842 174.700 0.132 0.000 0.989 47 T CA -0.898 61.282 62.100 0.133 0.000 0.968 47 T CB 0.755 69.724 68.868 0.168 0.000 1.135 47 T HN 0.432 nan 8.240 nan 0.000 0.562 48 R N -0.372 120.207 120.500 0.132 0.000 2.173 48 R HA 0.191 4.530 4.340 -0.001 0.000 0.208 48 R C 0.474 176.867 176.300 0.155 0.000 1.035 48 R CA 0.647 56.824 56.100 0.128 0.000 1.004 48 R CB -0.652 29.715 30.300 0.111 0.000 0.917 48 R HN 0.763 nan 8.270 nan 0.000 0.462 49 H N 0.054 119.163 119.070 0.064 0.000 2.771 49 H HA 0.198 4.753 4.556 -0.001 0.000 0.361 49 H C -0.103 175.266 175.328 0.067 0.000 1.108 49 H CA -0.277 55.793 56.048 0.037 0.000 1.201 49 H CB 1.815 31.544 29.762 -0.056 0.000 1.681 49 H HN -0.197 nan 8.280 nan 0.000 0.534 50 E N 2.401 122.730 120.200 0.215 0.000 2.265 50 E HA -0.157 4.192 4.350 -0.001 0.000 0.196 50 E C 1.665 178.428 176.600 0.272 0.000 0.996 50 E CA 1.053 57.597 56.400 0.240 0.000 0.832 50 E CB 0.258 30.090 29.700 0.220 0.000 0.756 50 E HN 0.734 nan 8.360 nan 0.000 0.491 51 E N 0.349 120.823 120.200 0.457 0.000 2.085 51 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 51 E C 1.746 178.447 176.600 0.168 0.000 0.994 51 E CA 1.373 57.886 56.400 0.188 0.000 0.801 51 E CB 0.110 29.798 29.700 -0.020 0.000 0.743 51 E HN 0.128 nan 8.360 nan 0.000 0.453 52 V N 0.994 121.022 119.914 0.191 0.000 2.427 52 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 52 V C 2.408 178.538 176.094 0.061 0.000 1.051 52 V CA 1.549 63.946 62.300 0.161 0.000 1.048 52 V CB -0.681 31.202 31.823 0.100 0.000 0.666 52 V HN 0.443 nan 8.190 nan 0.000 0.456 53 A N 0.264 123.131 122.820 0.078 0.000 1.908 53 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 53 A C 2.438 179.950 177.584 -0.120 0.000 1.181 53 A CA 2.319 54.378 52.037 0.037 0.000 0.627 53 A CB -0.788 18.278 19.000 0.109 0.000 0.818 53 A HN 0.569 nan 8.150 nan 0.000 0.445 54 A N -1.277 121.491 122.820 -0.088 0.000 1.873 54 A HA 0.041 4.360 4.320 -0.001 0.000 0.215 54 A C 1.948 179.392 177.584 -0.234 0.000 1.186 54 A CA 1.506 53.434 52.037 -0.181 0.000 0.616 54 A CB -0.766 18.111 19.000 -0.206 0.000 0.823 54 A HN 0.429 nan 8.150 nan 0.000 0.442 55 F N 0.359 120.200 119.950 -0.180 0.000 2.095 55 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 55 F C 2.827 178.427 175.800 -0.333 0.000 1.104 55 F CA 1.180 59.056 58.000 -0.206 0.000 1.232 55 F CB -0.691 38.207 39.000 -0.170 0.000 0.987 55 F HN 0.264 nan 8.300 nan 0.000 0.475 56 A N -0.281 122.349 122.820 -0.315 0.000 1.898 56 A HA -0.043 4.276 4.320 -0.001 0.000 0.216 56 A C 2.416 179.461 177.584 -0.898 0.000 1.181 56 A CA 1.729 53.307 52.037 -0.765 0.000 0.620 56 A CB -1.354 16.814 19.000 -1.387 0.000 0.819 56 A HN 0.314 nan 8.150 nan 0.000 0.442 57 A N -0.378 121.918 122.820 -0.873 0.000 1.908 57 A HA 0.083 4.402 4.320 -0.001 0.000 0.218 57 A C 2.433 179.875 177.584 -0.237 0.000 1.181 57 A CA 2.014 53.749 52.037 -0.503 0.000 0.627 57 A CB -1.465 17.385 19.000 -0.251 0.000 0.818 57 A HN 0.768 nan 8.150 nan 0.000 0.445 58 G N -0.529 108.150 108.800 -0.202 0.000 2.440 58 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.218 58 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.218 58 G C 1.731 176.580 174.900 -0.086 0.000 1.154 58 G CA 1.561 46.593 45.100 -0.112 0.000 0.767 58 G HN 0.831 nan 8.290 nan 0.000 0.552 59 A N 0.647 123.395 122.820 -0.120 0.000 1.898 59 A HA -0.001 4.318 4.320 -0.001 0.000 0.216 59 A C 2.153 179.699 177.584 -0.062 0.000 1.181 59 A CA 1.982 53.965 52.037 -0.089 0.000 0.620 59 A CB -0.464 18.464 19.000 -0.120 0.000 0.819 59 A HN 0.502 nan 8.150 nan 0.000 0.442 60 E N 0.026 120.176 120.200 -0.084 0.000 2.058 60 E HA -0.154 4.195 4.350 -0.001 0.000 0.194 60 E C 2.077 178.688 176.600 0.018 0.000 0.997 60 E CA 1.224 57.628 56.400 0.007 0.000 0.801 60 E CB -0.283 29.474 29.700 0.095 0.000 0.746 60 E HN 0.516 nan 8.360 nan 0.000 0.450 61 A N 0.553 123.374 122.820 0.001 0.000 1.930 61 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 61 A C 2.118 179.719 177.584 0.029 0.000 1.175 61 A CA 1.638 53.686 52.037 0.018 0.000 0.627 61 A CB -0.599 18.407 19.000 0.010 0.000 0.815 61 A HN 0.344 nan 8.150 nan 0.000 0.443 62 Q N -0.066 119.747 119.800 0.021 0.000 2.061 62 Q HA -0.102 4.237 4.340 -0.001 0.000 0.204 62 Q C 1.820 177.851 176.000 0.051 0.000 0.984 62 Q CA 1.919 57.747 55.803 0.043 0.000 0.846 62 Q CB -0.414 28.344 28.738 0.034 0.000 0.902 62 Q HN 0.647 nan 8.270 nan 0.000 0.421 63 L N -0.339 120.904 121.223 0.033 0.000 2.095 63 L HA -0.065 4.274 4.340 -0.001 0.000 0.204 63 L C 2.453 179.344 176.870 0.034 0.000 1.080 63 L CA 1.253 56.113 54.840 0.033 0.000 0.759 63 L CB -0.410 41.659 42.059 0.017 0.000 0.914 63 L HN 0.322 nan 8.230 nan 0.000 0.439 64 S N -0.868 114.852 115.700 0.033 0.000 2.470 64 S HA 0.077 4.547 4.470 -0.001 0.000 0.225 64 S C 1.676 176.294 174.600 0.031 0.000 1.006 64 S CA 0.473 58.691 58.200 0.029 0.000 0.934 64 S CB 0.175 63.394 63.200 0.031 0.000 0.778 64 S HN 0.496 nan 8.310 nan 0.000 0.517 65 G N 0.479 109.303 108.800 0.041 0.000 2.155 65 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.257 65 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.257 65 G C -0.190 174.737 174.900 0.045 0.000 0.983 65 G CA 0.507 45.634 45.100 0.045 0.000 0.676 65 G HN 0.630 nan 8.290 nan 0.000 0.528 66 E N -1.374 118.850 120.200 0.041 0.000 2.359 66 E HA 0.624 4.974 4.350 -0.001 0.000 0.266 66 E C -0.102 176.520 176.600 0.037 0.000 0.920 66 E CA -1.298 55.129 56.400 0.045 0.000 0.788 66 E CB 1.717 31.437 29.700 0.034 0.000 1.279 66 E HN 0.188 nan 8.360 nan 0.000 0.438 67 L N 2.000 123.239 121.223 0.027 0.000 2.601 67 L HA 0.186 4.525 4.340 -0.001 0.000 0.277 67 L C -0.711 176.159 176.870 -0.001 0.000 1.219 67 L CA 0.809 55.645 54.840 -0.007 0.000 0.915 67 L CB -0.143 41.871 42.059 -0.075 0.000 1.160 67 L HN 0.581 nan 8.230 nan 0.000 0.494 68 A N 4.815 127.640 122.820 0.008 0.000 2.350 68 A HA 0.879 5.198 4.320 -0.001 0.000 0.318 68 A C -1.182 176.417 177.584 0.024 0.000 1.132 68 A CA -0.597 51.463 52.037 0.039 0.000 0.811 68 A CB 1.720 20.750 19.000 0.051 0.000 1.313 68 A HN 0.547 nan 8.150 nan 0.000 0.454 69 V N 0.049 120.007 119.914 0.074 0.000 2.686 69 V HA 0.539 4.659 4.120 -0.001 0.000 0.306 69 V C -0.151 175.999 176.094 0.093 0.000 1.065 69 V CA -0.588 61.737 62.300 0.042 0.000 0.894 69 V CB 1.056 32.886 31.823 0.013 0.000 1.004 69 V HN 1.440 nan 8.190 nan 0.000 0.424 70 C N 2.111 121.430 119.300 0.031 0.000 2.913 70 C HA 1.079 5.538 4.460 -0.001 0.000 0.322 70 C C -0.026 174.973 174.990 0.015 0.000 1.292 70 C CA -0.532 58.505 59.018 0.032 0.000 1.649 70 C CB 1.205 28.948 27.740 0.005 0.000 2.139 70 C HN 1.463 nan 8.230 nan 0.000 0.475 71 A N 0.110 122.954 122.820 0.039 0.000 2.572 71 A HA 1.000 5.319 4.320 -0.001 0.000 0.295 71 A C -0.490 177.183 177.584 0.149 0.000 1.072 71 A CA 0.249 52.355 52.037 0.116 0.000 0.691 71 A CB 1.348 20.507 19.000 0.266 0.000 1.291 71 A HN 2.430 nan 8.150 nan 0.000 0.404 72 G N 0.180 109.061 108.800 0.135 0.000 2.667 72 G HA2 0.645 4.604 3.960 -0.001 0.000 0.298 72 G HA3 0.645 4.604 3.960 -0.001 0.000 0.298 72 G C -0.069 174.906 174.900 0.124 0.000 1.377 72 G CA 0.254 45.439 45.100 0.141 0.000 0.964 72 G HN 1.581 nan 8.290 nan 0.000 0.493 73 S N -0.929 114.837 115.700 0.110 0.000 2.633 73 S HA 0.404 4.874 4.470 -0.001 0.000 0.257 73 S C 1.198 175.834 174.600 0.060 0.000 1.265 73 S CA 0.009 58.255 58.200 0.077 0.000 0.980 73 S CB 0.104 63.338 63.200 0.057 0.000 1.017 73 S HN 1.578 nan 8.310 nan 0.000 0.577 74 C N -0.166 119.163 119.300 0.049 0.000 2.656 74 C HA 0.730 5.189 4.460 -0.001 0.000 0.391 74 C C 1.845 176.834 174.990 -0.002 0.000 1.300 74 C CA -0.005 59.050 59.018 0.063 0.000 2.302 74 C CB -0.956 26.825 27.740 0.068 0.000 2.655 74 C HN 1.828 nan 8.230 nan 0.000 0.656 75 G N 3.285 112.100 108.800 0.024 0.000 2.602 75 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.310 75 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.310 75 G C -1.165 173.688 174.900 -0.078 0.000 1.183 75 G CA 0.562 45.633 45.100 -0.049 0.000 0.979 75 G HN 0.606 nan 8.290 nan 0.000 0.545 76 P HA -0.025 nan 4.420 nan 0.000 0.218 76 P C 2.025 179.145 177.300 -0.299 0.000 1.148 76 P CA 2.639 65.583 63.100 -0.261 0.000 0.822 76 P CB -0.736 30.779 31.700 -0.308 0.000 0.784 77 G N 1.286 109.994 108.800 -0.153 0.000 2.511 77 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.216 77 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.216 77 G C 1.392 176.320 174.900 0.047 0.000 1.218 77 G CA 1.430 46.500 45.100 -0.050 0.000 0.788 77 G HN 0.442 nan 8.290 nan 0.000 0.560 78 N N 0.209 118.962 118.700 0.088 0.000 2.270 78 N HA 0.010 4.749 4.740 -0.001 0.000 0.181 78 N C 1.962 177.652 175.510 0.300 0.000 1.016 78 N CA 1.125 54.279 53.050 0.173 0.000 0.870 78 N CB -0.433 38.159 38.487 0.174 0.000 0.979 78 N HN 0.274 nan 8.380 nan 0.000 0.431 79 L N 0.803 122.136 121.223 0.184 0.000 2.079 79 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 79 L C 1.837 178.860 176.870 0.255 0.000 1.081 79 L CA 1.795 56.728 54.840 0.156 0.000 0.752 79 L CB -1.094 40.970 42.059 0.008 0.000 0.896 79 L HN 0.356 nan 8.230 nan 0.000 0.433 80 H N -1.340 117.813 119.070 0.139 0.000 2.489 80 H HA -0.130 4.425 4.556 -0.001 0.000 0.295 80 H C 2.069 177.526 175.328 0.215 0.000 1.082 80 H CA 0.971 57.129 56.048 0.183 0.000 1.295 80 H CB 0.035 29.827 29.762 0.050 0.000 1.380 80 H HN 0.361 nan 8.280 nan 0.000 0.548 81 L N 0.044 121.449 121.223 0.305 0.000 2.291 81 L HA -0.124 4.215 4.340 -0.001 0.000 0.214 81 L C 2.390 179.360 176.870 0.167 0.000 1.120 81 L CA 0.381 55.325 54.840 0.173 0.000 0.799 81 L CB -0.136 41.964 42.059 0.069 0.000 0.925 81 L HN 0.343 nan 8.230 nan 0.000 0.446 82 I N 0.645 121.406 120.570 0.318 0.000 2.163 82 I HA -0.373 3.796 4.170 -0.001 0.000 0.243 82 I C 2.332 178.594 176.117 0.243 0.000 1.085 82 I CA 1.725 63.250 61.300 0.375 0.000 1.347 82 I CB 0.033 38.217 38.000 0.308 0.000 1.044 82 I HN 0.379 nan 8.210 nan 0.000 0.408 83 N N 0.651 119.431 118.700 0.132 0.000 2.188 83 N HA -0.119 4.621 4.740 -0.001 0.000 0.184 83 N C 1.783 177.160 175.510 -0.220 0.000 1.018 83 N CA 1.617 54.706 53.050 0.066 0.000 0.858 83 N CB -0.394 38.147 38.487 0.090 0.000 0.989 83 N HN 0.407 nan 8.380 nan 0.000 0.426 84 G N 0.155 108.687 108.800 -0.446 0.000 2.421 84 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.217 84 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.217 84 G C 1.490 176.086 174.900 -0.507 0.000 1.143 84 G CA 0.421 44.959 45.100 -0.936 0.000 0.784 84 G HN 0.306 nan 8.290 nan 0.000 0.541 85 L N -0.867 120.199 121.223 -0.261 0.000 2.093 85 L HA 0.064 4.403 4.340 -0.001 0.000 0.208 85 L C 2.604 179.324 176.870 -0.251 0.000 1.085 85 L CA 0.554 55.257 54.840 -0.228 0.000 0.755 85 L CB -0.395 41.544 42.059 -0.201 0.000 0.904 85 L HN 0.114 nan 8.230 nan 0.000 0.435 86 F N 0.773 120.516 119.950 -0.345 0.000 2.126 86 F HA -0.287 4.239 4.527 -0.001 0.000 0.299 86 F C 2.331 177.828 175.800 -0.504 0.000 1.096 86 F CA 2.042 59.742 58.000 -0.500 0.000 1.255 86 F CB -0.292 38.118 39.000 -0.983 0.000 0.997 86 F HN 0.172 nan 8.300 nan 0.000 0.479 87 D N -0.701 119.513 120.400 -0.310 0.000 2.097 87 D HA -0.189 4.451 4.640 -0.001 0.000 0.195 87 D C 2.248 178.484 176.300 -0.106 0.000 0.989 87 D CA 1.662 55.592 54.000 -0.116 0.000 0.827 87 D CB -0.302 40.468 40.800 -0.050 0.000 0.966 87 D HN 0.243 nan 8.370 nan 0.000 0.456 88 C N -0.437 118.770 119.300 -0.155 0.000 2.413 88 C HA -0.124 4.335 4.460 -0.001 0.000 0.276 88 C C 2.551 177.492 174.990 -0.081 0.000 1.236 88 C CA 1.166 60.117 59.018 -0.111 0.000 1.735 88 C CB -1.485 26.178 27.740 -0.128 0.000 2.031 88 C HN 0.516 nan 8.230 nan 0.000 0.474 89 H N 0.660 119.607 119.070 -0.206 0.000 2.357 89 H HA -0.020 4.535 4.556 -0.001 0.000 0.301 89 H C 2.425 177.670 175.328 -0.138 0.000 1.082 89 H CA 1.472 57.401 56.048 -0.198 0.000 1.342 89 H CB -0.088 29.491 29.762 -0.304 0.000 1.389 89 H HN 0.177 nan 8.280 nan 0.000 0.511 90 R N 0.234 120.659 120.500 -0.124 0.000 2.148 90 R HA -0.014 4.325 4.340 -0.001 0.000 0.227 90 R C 1.082 177.126 176.300 -0.426 0.000 1.103 90 R CA 0.740 56.736 56.100 -0.174 0.000 0.983 90 R CB -0.244 30.067 30.300 0.018 0.000 0.874 90 R HN 0.439 nan 8.270 nan 0.000 0.451 91 N N 0.501 119.014 118.700 -0.311 0.000 2.461 91 N HA -0.052 4.687 4.740 -0.001 0.000 0.188 91 N C -0.530 174.785 175.510 -0.324 0.000 1.134 91 N CA 0.248 53.109 53.050 -0.315 0.000 0.878 91 N CB -0.211 38.213 38.487 -0.105 0.000 0.972 91 N HN 0.399 nan 8.380 nan 0.000 0.456 92 H N -2.121 116.918 119.070 -0.052 0.000 2.756 92 H HA -0.109 4.446 4.556 -0.002 0.000 0.315 92 H C -0.407 174.922 175.328 0.002 0.000 1.210 92 H CA 0.214 56.233 56.048 -0.048 0.000 1.150 92 H CB -2.167 27.589 29.762 -0.010 0.000 1.463 92 H HN 0.041 nan 8.280 nan 0.000 0.427 93 V N -2.100 117.852 119.914 0.064 0.000 2.628 93 V HA 0.634 4.753 4.120 -0.001 0.000 0.306 93 V C -2.298 173.831 176.094 0.057 0.000 1.045 93 V CA -2.653 59.683 62.300 0.060 0.000 0.905 93 V CB 2.406 34.245 31.823 0.026 0.000 0.997 93 V HN -0.014 nan 8.190 nan 0.000 0.436 94 P HA 0.312 nan 4.420 nan 0.000 0.274 94 P C -0.752 176.566 177.300 0.029 0.000 1.291 94 P CA 0.107 63.249 63.100 0.070 0.000 0.815 94 P CB 1.090 32.832 31.700 0.070 0.000 0.897 95 V N 5.564 125.487 119.914 0.015 0.000 2.623 95 V HA 0.279 4.398 4.120 -0.001 0.000 0.304 95 V C -0.091 175.981 176.094 -0.037 0.000 1.054 95 V CA -0.866 61.419 62.300 -0.024 0.000 0.882 95 V CB 2.322 34.110 31.823 -0.059 0.000 1.002 95 V HN 0.345 nan 8.190 nan 0.000 0.424 96 L N 4.785 125.981 121.223 -0.045 0.000 2.282 96 L HA 0.889 5.229 4.340 -0.001 0.000 0.288 96 L C 0.259 177.085 176.870 -0.074 0.000 1.033 96 L CA 0.052 54.859 54.840 -0.055 0.000 0.807 96 L CB 1.217 43.239 42.059 -0.061 0.000 1.209 96 L HN 0.779 nan 8.230 nan 0.000 0.423 97 A N 6.541 129.292 122.820 -0.115 0.000 2.288 97 A HA 0.670 4.989 4.320 -0.001 0.000 0.320 97 A C -0.519 176.997 177.584 -0.114 0.000 1.217 97 A CA -0.470 51.476 52.037 -0.152 0.000 0.840 97 A CB 0.194 19.012 19.000 -0.304 0.000 1.179 97 A HN 0.715 nan 8.150 nan 0.000 0.504 98 I N 2.705 123.244 120.570 -0.052 0.000 2.297 98 I HA 0.383 4.552 4.170 -0.001 0.000 0.291 98 I C 0.661 176.772 176.117 -0.010 0.000 1.033 98 I CA 0.002 61.295 61.300 -0.011 0.000 1.253 98 I CB 1.532 39.557 38.000 0.042 0.000 1.396 98 I HN 0.676 nan 8.210 nan 0.000 0.476 99 A N 6.214 129.016 122.820 -0.030 0.000 2.341 99 A HA 0.752 5.072 4.320 -0.001 0.000 0.326 99 A C 0.435 178.054 177.584 0.058 0.000 1.402 99 A CA -0.497 51.542 52.037 0.004 0.000 0.957 99 A CB 0.262 19.254 19.000 -0.014 0.000 1.151 99 A HN 0.773 nan 8.150 nan 0.000 0.533 100 A N 2.273 125.144 122.820 0.085 0.000 2.425 100 A HA 0.522 4.841 4.320 -0.001 0.000 0.242 100 A C 0.111 177.793 177.584 0.164 0.000 1.077 100 A CA 0.246 52.347 52.037 0.107 0.000 0.781 100 A CB 0.023 19.075 19.000 0.088 0.000 1.020 100 A HN 1.037 nan 8.150 nan 0.000 0.494 101 H N 0.065 119.148 119.070 0.022 0.000 2.907 101 H HA 0.601 5.156 4.556 -0.001 0.000 0.361 101 H C 0.088 175.420 175.328 0.007 0.000 1.194 101 H CA -0.752 55.300 56.048 0.008 0.000 1.152 101 H CB 0.965 30.727 29.762 -0.001 0.000 1.867 101 H HN 0.731 nan 8.280 nan 0.000 0.561 102 I N 0.012 120.379 120.570 -0.339 0.000 3.194 102 I HA 0.353 4.522 4.170 -0.001 0.000 0.283 102 I C -2.125 173.825 176.117 -0.279 0.000 1.199 102 I CA -2.006 59.156 61.300 -0.231 0.000 1.328 102 I CB 0.045 37.936 38.000 -0.181 0.000 1.404 102 I HN 0.351 nan 8.210 nan 0.000 0.618 103 P HA 0.015 nan 4.420 nan 0.000 0.265 103 P C 0.523 177.678 177.300 -0.242 0.000 1.193 103 P CA 0.011 63.000 63.100 -0.186 0.000 0.765 103 P CB 0.863 32.451 31.700 -0.186 0.000 0.823 104 S N 1.536 117.136 115.700 -0.166 0.000 2.419 104 S HA -0.179 4.290 4.470 -0.001 0.000 0.235 104 S C 1.739 176.254 174.600 -0.143 0.000 1.019 104 S CA 1.508 59.623 58.200 -0.142 0.000 0.982 104 S CB -1.353 61.807 63.200 -0.066 0.000 0.789 104 S HN 0.517 nan 8.310 nan 0.000 0.490 105 S N 1.455 117.064 115.700 -0.152 0.000 2.474 105 S HA 0.009 4.478 4.470 -0.001 0.000 0.235 105 S C 1.392 175.881 174.600 -0.185 0.000 0.997 105 S CA 0.680 58.796 58.200 -0.140 0.000 0.949 105 S CB -0.313 62.810 63.200 -0.127 0.000 0.766 105 S HN 0.507 nan 8.310 nan 0.000 0.517 106 E N 0.770 120.794 120.200 -0.293 0.000 2.472 106 E HA 0.359 4.708 4.350 -0.001 0.000 0.196 106 E C 0.375 176.856 176.600 -0.199 0.000 1.033 106 E CA -0.281 55.898 56.400 -0.368 0.000 0.886 106 E CB -0.144 28.990 29.700 -0.944 0.000 0.944 106 E HN 0.601 nan 8.360 nan 0.000 0.492 107 I N 1.115 121.580 120.570 -0.174 0.000 2.775 107 I HA -0.035 4.134 4.170 -0.001 0.000 0.290 107 I C 1.421 177.527 176.117 -0.018 0.000 1.203 107 I CA 1.305 62.540 61.300 -0.108 0.000 1.433 107 I CB 0.313 38.256 38.000 -0.095 0.000 1.354 107 I HN 0.289 nan 8.210 nan 0.000 0.579 108 G N 3.879 112.703 108.800 0.040 0.000 2.157 108 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.239 108 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.239 108 G C 0.662 175.608 174.900 0.077 0.000 0.982 108 G CA 0.435 45.589 45.100 0.091 0.000 0.650 108 G HN 0.774 nan 8.290 nan 0.000 0.527 109 S N -0.755 114.989 115.700 0.074 0.000 2.559 109 S HA 0.490 4.959 4.470 -0.001 0.000 0.226 109 S C 1.688 176.356 174.600 0.113 0.000 1.000 109 S CA 1.053 59.302 58.200 0.082 0.000 0.948 109 S CB 0.777 64.020 63.200 0.070 0.000 0.870 109 S HN 2.274 nan 8.310 nan 0.000 0.497 110 G N 1.213 110.090 108.800 0.128 0.000 2.291 110 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.271 110 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.271 110 G C -0.328 174.670 174.900 0.163 0.000 1.099 110 G CA 0.049 45.224 45.100 0.125 0.000 0.919 110 G HN 0.633 nan 8.290 nan 0.000 0.496 111 Y N -0.229 120.094 120.300 0.037 0.000 2.298 111 Y HA 0.610 5.160 4.550 -0.001 0.000 0.329 111 Y C 0.834 176.798 175.900 0.107 0.000 1.293 111 Y CA -1.686 56.451 58.100 0.062 0.000 1.388 111 Y CB 0.343 38.819 38.460 0.026 0.000 1.309 111 Y HN 0.412 nan 8.280 nan 0.000 0.544 112 F N 4.534 124.003 119.950 -0.801 0.000 2.579 112 F HA -0.060 4.466 4.527 -0.002 0.000 0.397 112 F C 0.871 176.520 175.800 -0.251 0.000 1.027 112 F CA 0.967 58.628 58.000 -0.565 0.000 1.217 112 F CB -0.034 38.497 39.000 -0.780 0.000 0.986 112 F HN 0.787 nan 8.300 nan 0.000 0.551 113 Q N 0.752 120.190 119.800 -0.603 0.000 2.362 113 Q HA -0.335 4.004 4.340 -0.001 0.000 0.220 113 Q C 0.247 176.151 176.000 -0.160 0.000 0.713 113 Q CA 1.340 56.851 55.803 -0.486 0.000 1.345 113 Q CB -1.547 26.795 28.738 -0.659 0.000 1.570 113 Q HN 0.853 nan 8.270 nan 0.000 0.701 114 E N 1.614 121.788 120.200 -0.044 0.000 2.480 114 E HA 0.130 4.479 4.350 -0.001 0.000 0.258 114 E C 0.225 176.849 176.600 0.041 0.000 0.984 114 E CA 1.113 57.532 56.400 0.032 0.000 0.930 114 E CB 0.566 30.314 29.700 0.079 0.000 0.936 114 E HN 0.279 nan 8.360 nan 0.000 0.466 115 T N 1.518 116.113 114.554 0.069 0.000 2.716 115 T HA 0.381 4.731 4.350 -0.001 0.000 0.286 115 T C -0.856 173.860 174.700 0.026 0.000 1.052 115 T CA -0.938 61.217 62.100 0.091 0.000 1.024 115 T CB 1.010 69.897 68.868 0.033 0.000 1.349 115 T HN 0.486 nan 8.240 nan 0.000 0.525 116 H N 0.782 119.845 119.070 -0.012 0.000 2.423 116 H HA 0.405 4.960 4.556 -0.001 0.000 0.237 116 H C -2.195 173.049 175.328 -0.139 0.000 1.391 116 H CA -1.806 54.203 56.048 -0.064 0.000 1.453 116 H CB 1.157 30.901 29.762 -0.030 0.000 1.484 116 H HN 0.394 nan 8.280 nan 0.000 0.505 117 P HA -0.217 nan 4.420 nan 0.000 0.218 117 P C 1.683 179.015 177.300 0.052 0.000 1.148 117 P CA 0.991 64.071 63.100 -0.033 0.000 0.822 117 P CB 0.441 32.186 31.700 0.075 0.000 0.784 118 Q N 0.238 120.026 119.800 -0.021 0.000 2.364 118 Q HA -0.155 4.184 4.340 -0.001 0.000 0.207 118 Q C 1.308 177.305 176.000 -0.006 0.000 0.970 118 Q CA 1.607 57.408 55.803 -0.004 0.000 0.888 118 Q CB -0.792 27.923 28.738 -0.039 0.000 0.951 118 Q HN 0.368 nan 8.270 nan 0.000 0.469 119 E N 0.617 120.812 120.200 -0.008 0.000 2.127 119 E HA 0.113 4.462 4.350 -0.001 0.000 0.191 119 E C 2.248 178.798 176.600 -0.083 0.000 0.964 119 E CA 0.244 56.623 56.400 -0.036 0.000 0.832 119 E CB 0.048 29.727 29.700 -0.036 0.000 0.790 119 E HN 0.171 nan 8.360 nan 0.000 0.465 120 L N 0.163 121.286 121.223 -0.168 0.000 2.043 120 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 120 L C 1.624 178.291 176.870 -0.338 0.000 1.075 120 L CA 1.160 55.807 54.840 -0.322 0.000 0.752 120 L CB -0.218 41.490 42.059 -0.585 0.000 0.891 120 L HN 0.126 nan 8.230 nan 0.000 0.432 121 F N -0.876 119.028 119.950 -0.077 0.000 2.732 121 F HA 0.103 4.628 4.527 -0.002 0.000 0.303 121 F C 2.222 177.899 175.800 -0.206 0.000 1.110 121 F CA -0.052 57.861 58.000 -0.146 0.000 1.355 121 F CB -0.416 38.492 39.000 -0.154 0.000 1.081 121 F HN -0.109 nan 8.300 nan 0.000 0.565 122 R N 0.412 120.896 120.500 -0.027 0.000 2.091 122 R HA -0.206 4.133 4.340 -0.001 0.000 0.238 122 R C 2.055 178.276 176.300 -0.131 0.000 1.136 122 R CA 1.676 57.732 56.100 -0.073 0.000 0.959 122 R CB -0.415 29.855 30.300 -0.050 0.000 0.856 122 R HN 0.387 nan 8.270 nan 0.000 0.437 123 E N 0.660 120.790 120.200 -0.118 0.000 2.150 123 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 123 E C 0.917 177.262 176.600 -0.425 0.000 0.985 123 E CA 1.178 57.501 56.400 -0.128 0.000 0.814 123 E CB 0.138 29.890 29.700 0.087 0.000 0.752 123 E HN 0.497 nan 8.360 nan 0.000 0.466 124 C N 0.872 119.734 119.300 -0.729 0.000 2.336 124 C HA 0.573 5.032 4.460 -0.001 0.000 0.332 124 C C 0.266 174.630 174.990 -1.043 0.000 1.375 124 C CA -0.461 57.899 59.018 -1.097 0.000 1.785 124 C CB -1.717 25.059 27.740 -1.607 0.000 2.407 124 C HN 0.190 nan 8.230 nan 0.000 0.562 125 S N -1.221 113.836 115.700 -1.071 0.000 2.588 125 S HA 0.481 4.950 4.470 -0.001 0.000 0.269 125 S C -0.166 174.069 174.600 -0.608 0.000 1.157 125 S CA -0.490 57.137 58.200 -0.955 0.000 0.824 125 S CB 0.381 63.331 63.200 -0.416 0.000 1.126 125 S HN 0.692 nan 8.310 nan 0.000 0.464 126 H N -0.171 118.855 119.070 -0.075 0.000 2.594 126 H HA 0.377 4.932 4.556 -0.002 0.000 0.279 126 H C -0.830 174.585 175.328 0.145 0.000 1.042 126 H CA -0.273 55.828 56.048 0.089 0.000 1.177 126 H CB 0.304 30.183 29.762 0.195 0.000 1.524 126 H HN 0.627 nan 8.280 nan 0.000 0.537 127 Y N 0.770 121.151 120.300 0.134 0.000 2.436 127 Y HA 0.408 4.957 4.550 -0.002 0.000 0.327 127 Y C -1.930 173.979 175.900 0.014 0.000 1.138 127 Y CA -1.479 56.673 58.100 0.087 0.000 1.042 127 Y CB 1.961 40.493 38.460 0.121 0.000 1.302 127 Y HN 0.261 nan 8.280 nan 0.000 0.439 128 C N 7.102 126.073 119.300 -0.549 0.000 2.928 128 C HA 0.671 5.130 4.460 -0.001 0.000 0.396 128 C C -1.983 172.764 174.990 -0.404 0.000 1.052 128 C CA -0.098 58.728 59.018 -0.319 0.000 1.251 128 C CB 0.170 27.826 27.740 -0.141 0.000 1.684 128 C HN 0.875 nan 8.230 nan 0.000 0.501 129 E N 3.249 123.267 120.200 -0.303 0.000 2.390 129 E HA 0.410 4.759 4.350 -0.001 0.000 0.277 129 E C -1.513 175.052 176.600 -0.058 0.000 0.939 129 E CA -0.733 55.548 56.400 -0.198 0.000 0.769 129 E CB 2.262 31.829 29.700 -0.222 0.000 1.251 129 E HN 0.608 nan 8.360 nan 0.000 0.450 130 L N 1.371 122.576 121.223 -0.031 0.000 2.292 130 L HA 0.273 4.612 4.340 -0.001 0.000 0.284 130 L C -0.849 176.042 176.870 0.036 0.000 1.065 130 L CA -0.479 54.364 54.840 0.005 0.000 0.806 130 L CB 1.233 43.300 42.059 0.014 0.000 1.175 130 L HN 0.290 nan 8.230 nan 0.000 0.431 131 V N 5.929 125.875 119.914 0.053 0.000 2.322 131 V HA 0.204 4.323 4.120 -0.001 0.000 0.258 131 V C 1.039 177.165 176.094 0.052 0.000 1.074 131 V CA 0.152 62.486 62.300 0.057 0.000 0.909 131 V CB 0.129 31.991 31.823 0.064 0.000 1.090 131 V HN 1.030 nan 8.190 nan 0.000 0.486 132 S N 2.284 118.009 115.700 0.042 0.000 2.425 132 S HA 0.018 4.487 4.470 -0.001 0.000 0.225 132 S C 0.964 175.576 174.600 0.020 0.000 1.024 132 S CA 0.577 58.797 58.200 0.033 0.000 0.951 132 S CB 0.255 63.472 63.200 0.028 0.000 0.796 132 S HN 0.686 nan 8.310 nan 0.000 0.498 133 S N 0.578 116.288 115.700 0.018 0.000 2.521 133 S HA 0.454 4.923 4.470 -0.001 0.000 0.295 133 S C -2.505 172.095 174.600 0.000 0.000 1.098 133 S CA -1.801 56.403 58.200 0.006 0.000 0.999 133 S CB 1.557 64.760 63.200 0.004 0.000 1.034 133 S HN -0.170 nan 8.310 nan 0.000 0.483 134 P HA -0.096 nan 4.420 nan 0.000 0.217 134 P C 0.998 178.268 177.300 -0.050 0.000 1.148 134 P CA 1.006 64.089 63.100 -0.028 0.000 0.828 134 P CB 0.148 31.829 31.700 -0.032 0.000 0.783 135 E N -0.325 119.853 120.200 -0.037 0.000 2.333 135 E HA -0.181 4.168 4.350 -0.001 0.000 0.198 135 E C 1.906 178.487 176.600 -0.032 0.000 1.007 135 E CA 0.929 57.304 56.400 -0.043 0.000 0.845 135 E CB -0.389 29.296 29.700 -0.025 0.000 0.766 135 E HN 0.517 nan 8.360 nan 0.000 0.507 136 Q N -0.037 119.757 119.800 -0.010 0.000 2.172 136 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 136 Q C 2.158 178.169 176.000 0.018 0.000 0.964 136 Q CA 0.412 56.224 55.803 0.017 0.000 0.855 136 Q CB -0.094 28.668 28.738 0.040 0.000 0.918 136 Q HN 0.152 nan 8.270 nan 0.000 0.444 137 I N 1.352 121.914 120.570 -0.013 0.000 2.264 137 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 137 I C -1.185 174.962 176.117 0.050 0.000 1.111 137 I CA 1.243 62.554 61.300 0.020 0.000 1.382 137 I CB -0.616 37.390 38.000 0.009 0.000 1.060 137 I HN 0.080 nan 8.210 nan 0.000 0.418 138 P HA -0.140 nan 4.420 nan 0.000 0.216 138 P C 1.487 178.856 177.300 0.114 0.000 1.153 138 P CA 1.400 64.540 63.100 0.067 0.000 0.844 138 P CB 0.005 31.687 31.700 -0.030 0.000 0.787 139 Q N -0.757 119.084 119.800 0.068 0.000 2.049 139 Q HA -0.069 4.270 4.340 -0.001 0.000 0.198 139 Q C 2.203 178.245 176.000 0.070 0.000 0.971 139 Q CA 1.161 57.005 55.803 0.067 0.000 0.833 139 Q CB -1.529 27.243 28.738 0.058 0.000 0.896 139 Q HN 0.035 nan 8.270 nan 0.000 0.434 140 V N 0.573 120.551 119.914 0.106 0.000 2.295 140 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 140 V C 2.060 178.194 176.094 0.066 0.000 1.049 140 V CA 1.563 63.958 62.300 0.157 0.000 1.024 140 V CB -0.539 31.411 31.823 0.211 0.000 0.648 140 V HN 0.298 nan 8.190 nan 0.000 0.447 141 L N 0.555 121.839 121.223 0.101 0.000 2.056 141 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 141 L C 2.434 179.327 176.870 0.039 0.000 1.078 141 L CA 2.271 57.156 54.840 0.075 0.000 0.749 141 L CB -0.910 41.238 42.059 0.149 0.000 0.901 141 L HN 0.230 nan 8.230 nan 0.000 0.433 142 A N -0.297 122.585 122.820 0.103 0.000 1.877 142 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 142 A C 2.250 179.873 177.584 0.065 0.000 1.186 142 A CA 2.168 54.312 52.037 0.178 0.000 0.620 142 A CB -0.845 18.257 19.000 0.170 0.000 0.822 142 A HN 0.485 nan 8.150 nan 0.000 0.443 143 I N -0.303 120.199 120.570 -0.114 0.000 2.202 143 I HA -0.235 3.934 4.170 -0.001 0.000 0.242 143 I C 2.995 178.843 176.117 -0.449 0.000 1.091 143 I CA 0.953 62.077 61.300 -0.294 0.000 1.368 143 I CB -0.411 37.313 38.000 -0.460 0.000 1.058 143 I HN 0.342 nan 8.210 nan 0.000 0.410 144 A N 0.837 123.305 122.820 -0.588 0.000 1.873 144 A HA -0.273 4.047 4.320 -0.001 0.000 0.218 144 A C 2.362 179.878 177.584 -0.114 0.000 1.193 144 A CA 2.106 53.934 52.037 -0.348 0.000 0.629 144 A CB -0.690 18.257 19.000 -0.089 0.000 0.826 144 A HN 0.361 nan 8.150 nan 0.000 0.447 145 M N -2.156 117.384 119.600 -0.100 0.000 2.132 145 M HA -0.083 4.396 4.480 -0.001 0.000 0.263 145 M C 2.406 178.739 176.300 0.055 0.000 1.065 145 M CA 1.749 56.970 55.300 -0.131 0.000 1.122 145 M CB -0.195 32.121 32.600 -0.472 0.000 1.365 145 M HN 0.369 nan 8.290 nan 0.000 0.411 146 R N 0.649 121.274 120.500 0.209 0.000 2.081 146 R HA -0.099 4.240 4.340 -0.001 0.000 0.235 146 R C 1.987 178.332 176.300 0.076 0.000 1.131 146 R CA 1.614 57.856 56.100 0.237 0.000 0.960 146 R CB -0.025 30.372 30.300 0.161 0.000 0.856 146 R HN 0.210 nan 8.270 nan 0.000 0.436 147 K N -0.675 119.716 120.400 -0.014 0.000 2.057 147 K HA -0.052 4.267 4.320 -0.001 0.000 0.206 147 K C 2.028 178.620 176.600 -0.013 0.000 1.050 147 K CA 1.279 57.503 56.287 -0.105 0.000 0.935 147 K CB -0.130 32.283 32.500 -0.145 0.000 0.715 147 K HN 0.219 nan 8.250 nan 0.000 0.439 148 A N 0.813 123.719 122.820 0.144 0.000 1.883 148 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 148 A C 2.328 180.010 177.584 0.162 0.000 1.186 148 A CA 1.629 53.815 52.037 0.248 0.000 0.624 148 A CB -0.647 18.431 19.000 0.130 0.000 0.822 148 A HN 0.081 nan 8.150 nan 0.000 0.444 149 V N -0.426 119.556 119.914 0.114 0.000 2.283 149 V HA -0.160 3.959 4.120 -0.001 0.000 0.243 149 V C 2.512 178.666 176.094 0.100 0.000 1.039 149 V CA 1.851 64.222 62.300 0.118 0.000 1.016 149 V CB -0.615 31.311 31.823 0.171 0.000 0.650 149 V HN 0.535 nan 8.190 nan 0.000 0.449 150 L N -0.280 120.989 121.223 0.076 0.000 2.162 150 L HA 0.002 4.341 4.340 -0.001 0.000 0.205 150 L C 1.941 178.811 176.870 0.000 0.000 1.086 150 L CA 1.350 56.214 54.840 0.041 0.000 0.778 150 L CB -0.445 41.633 42.059 0.032 0.000 0.928 150 L HN 0.380 nan 8.230 nan 0.000 0.446 151 N N -0.063 118.604 118.700 -0.055 0.000 2.467 151 N HA 0.032 4.771 4.740 -0.001 0.000 0.184 151 N C -0.535 175.018 175.510 0.073 0.000 1.106 151 N CA -0.171 52.822 53.050 -0.096 0.000 0.892 151 N CB 0.302 38.546 38.487 -0.405 0.000 0.969 151 N HN 0.051 nan 8.380 nan 0.000 0.454 152 R N 0.077 120.661 120.500 0.139 0.000 2.983 152 R HA -0.123 4.216 4.340 -0.001 0.000 0.272 152 R C -0.198 176.259 176.300 0.261 0.000 0.926 152 R CA 0.600 56.804 56.100 0.174 0.000 0.667 152 R CB -2.145 28.220 30.300 0.109 0.000 1.540 152 R HN 0.484 nan 8.270 nan 0.000 0.467 153 G N -1.159 107.831 108.800 0.317 0.000 2.428 153 G HA2 0.409 4.369 3.960 -0.001 0.000 0.305 153 G HA3 0.409 4.369 3.960 -0.001 0.000 0.305 153 G C -1.150 173.795 174.900 0.074 0.000 1.260 153 G CA -0.437 44.744 45.100 0.135 0.000 0.853 153 G HN 0.138 nan 8.290 nan 0.000 0.480 154 V N 0.864 120.763 119.914 -0.025 0.000 2.481 154 V HA 0.654 4.773 4.120 -0.001 0.000 0.286 154 V C 0.148 176.138 176.094 -0.173 0.000 1.042 154 V CA -0.280 61.945 62.300 -0.125 0.000 0.928 154 V CB 1.300 32.991 31.823 -0.220 0.000 0.986 154 V HN 0.698 nan 8.190 nan 0.000 0.462 155 S N 3.074 118.762 115.700 -0.020 0.000 2.503 155 S HA 0.743 5.212 4.470 -0.001 0.000 0.301 155 S C -0.672 173.923 174.600 -0.008 0.000 1.087 155 S CA -0.560 57.690 58.200 0.084 0.000 1.042 155 S CB 1.998 65.305 63.200 0.178 0.000 1.043 155 S HN 0.442 nan 8.310 nan 0.000 0.489 156 V N 2.853 122.772 119.914 0.008 0.000 2.487 156 V HA 0.522 4.642 4.120 -0.001 0.000 0.298 156 V C -0.711 175.390 176.094 0.011 0.000 1.028 156 V CA -0.654 61.590 62.300 -0.093 0.000 0.860 156 V CB 1.805 33.488 31.823 -0.234 0.000 0.991 156 V HN 0.664 nan 8.190 nan 0.000 0.427 157 V N 5.503 125.420 119.914 0.004 0.000 2.409 157 V HA 0.442 4.561 4.120 -0.001 0.000 0.291 157 V C -0.222 175.879 176.094 0.012 0.000 1.020 157 V CA -0.572 61.759 62.300 0.051 0.000 0.848 157 V CB 1.965 33.835 31.823 0.078 0.000 0.990 157 V HN 0.626 nan 8.190 nan 0.000 0.430 158 V N 6.581 126.502 119.914 0.011 0.000 2.370 158 V HA 0.476 4.596 4.120 -0.001 0.000 0.279 158 V C -0.380 175.740 176.094 0.044 0.000 1.029 158 V CA -0.489 61.810 62.300 -0.003 0.000 0.870 158 V CB 1.480 33.261 31.823 -0.070 0.000 0.984 158 V HN 0.627 nan 8.190 nan 0.000 0.451 159 L N 8.998 130.268 121.223 0.079 0.000 2.427 159 L HA 0.638 4.977 4.340 -0.001 0.000 0.264 159 L C -2.639 174.304 176.870 0.121 0.000 0.989 159 L CA -1.809 53.086 54.840 0.092 0.000 0.865 159 L CB 1.907 44.010 42.059 0.073 0.000 1.209 159 L HN 0.370 nan 8.230 nan 0.000 0.430 160 P HA 0.159 nan 4.420 nan 0.000 0.266 160 P C 0.839 178.162 177.300 0.038 0.000 1.195 160 P CA 0.168 63.315 63.100 0.077 0.000 0.768 160 P CB 0.871 32.583 31.700 0.019 0.000 0.838 161 G N 3.149 111.962 108.800 0.022 0.000 2.442 161 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.219 161 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.219 161 G C 1.054 175.957 174.900 0.004 0.000 1.141 161 G CA 0.778 45.888 45.100 0.017 0.000 0.763 161 G HN 0.579 nan 8.290 nan 0.000 0.554 162 D N 0.793 121.186 120.400 -0.012 0.000 2.117 162 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 162 D C 2.490 178.787 176.300 -0.006 0.000 0.982 162 D CA 1.035 55.025 54.000 -0.015 0.000 0.828 162 D CB -0.867 39.913 40.800 -0.034 0.000 0.967 162 D HN 0.249 nan 8.370 nan 0.000 0.464 163 V N 1.683 121.597 119.914 0.000 0.000 2.407 163 V HA -0.186 3.933 4.120 -0.001 0.000 0.248 163 V C 2.930 179.034 176.094 0.017 0.000 1.055 163 V CA 1.682 63.987 62.300 0.009 0.000 1.049 163 V CB -0.983 30.851 31.823 0.019 0.000 0.662 163 V HN 0.368 nan 8.190 nan 0.000 0.455 164 A N -0.358 122.476 122.820 0.023 0.000 1.978 164 A HA -0.145 4.174 4.320 -0.001 0.000 0.220 164 A C 2.090 179.686 177.584 0.021 0.000 1.170 164 A CA 1.681 53.736 52.037 0.029 0.000 0.636 164 A CB -0.459 18.559 19.000 0.029 0.000 0.810 164 A HN 0.550 nan 8.150 nan 0.000 0.448 165 L N -1.239 119.990 121.223 0.011 0.000 2.592 165 L HA 0.093 4.432 4.340 -0.001 0.000 0.227 165 L C 0.641 177.515 176.870 0.005 0.000 1.127 165 L CA 0.001 54.844 54.840 0.006 0.000 0.884 165 L CB -0.054 42.004 42.059 -0.000 0.000 1.065 165 L HN 0.203 nan 8.230 nan 0.000 0.457 166 K N 0.543 120.946 120.400 0.005 0.000 2.107 166 K HA 0.266 4.585 4.320 -0.001 0.000 0.251 166 K C -2.307 174.294 176.600 0.002 0.000 1.012 166 K CA -1.851 54.436 56.287 0.000 0.000 0.920 166 K CB 0.355 32.852 32.500 -0.004 0.000 1.033 166 K HN -0.255 nan 8.250 nan 0.000 0.478 167 P HA -0.000 nan 4.420 nan 0.000 0.271 167 P C -1.060 176.229 177.300 -0.018 0.000 1.220 167 P CA -0.015 63.084 63.100 -0.003 0.000 0.768 167 P CB 0.800 32.496 31.700 -0.006 0.000 0.848 168 A N 6.195 129.004 122.820 -0.019 0.000 2.448 168 A HA 0.345 4.664 4.320 -0.001 0.000 0.239 168 A C -1.987 175.539 177.584 -0.096 0.000 1.080 168 A CA -0.987 51.000 52.037 -0.082 0.000 0.779 168 A CB -1.371 17.585 19.000 -0.074 0.000 1.026 168 A HN 0.416 nan 8.150 nan 0.000 0.499 169 P HA 0.084 nan 4.420 nan 0.000 0.265 169 P C 0.306 177.560 177.300 -0.077 0.000 1.193 169 P CA 0.138 63.173 63.100 -0.109 0.000 0.765 169 P CB 0.448 32.064 31.700 -0.139 0.000 0.823 170 E N 2.036 122.215 120.200 -0.035 0.000 2.150 170 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 170 E C 1.910 178.514 176.600 0.006 0.000 0.985 170 E CA 1.167 57.563 56.400 -0.007 0.000 0.814 170 E CB -0.288 29.412 29.700 -0.000 0.000 0.752 170 E HN 0.637 nan 8.360 nan 0.000 0.466 171 G N 0.951 109.749 108.800 -0.003 0.000 2.985 171 G HA2 0.191 4.151 3.960 -0.001 0.000 0.209 171 G HA3 0.191 4.151 3.960 -0.001 0.000 0.209 171 G C 0.540 175.459 174.900 0.030 0.000 1.165 171 G CA 0.245 45.353 45.100 0.013 0.000 0.776 171 G HN 0.232 nan 8.290 nan 0.000 0.541 172 A N 0.686 123.513 122.820 0.011 0.000 2.483 172 A HA 0.511 4.830 4.320 -0.001 0.000 0.238 172 A C 0.855 178.564 177.584 0.207 0.000 1.070 172 A CA 0.724 52.789 52.037 0.047 0.000 0.770 172 A CB 0.102 18.988 19.000 -0.189 0.000 1.008 172 A HN 0.554 nan 8.150 nan 0.000 0.497 173 T N 0.162 114.872 114.554 0.260 0.000 2.895 173 T HA 0.579 4.928 4.350 -0.001 0.000 0.283 173 T C 0.459 175.332 174.700 0.288 0.000 1.014 173 T CA -0.555 61.694 62.100 0.247 0.000 1.037 173 T CB 0.937 69.903 68.868 0.164 0.000 1.006 173 T HN 0.466 nan 8.240 nan 0.000 0.468 174 M N 0.900 120.602 119.600 0.169 0.000 2.367 174 M HA 0.244 4.723 4.480 -0.001 0.000 0.256 174 M C 0.518 176.861 176.300 0.071 0.000 1.091 174 M CA -0.250 55.046 55.300 -0.007 0.000 1.049 174 M CB -0.150 32.390 32.600 -0.100 0.000 1.406 174 M HN 0.783 nan 8.290 nan 0.000 0.498 175 H N 0.776 119.891 119.070 0.075 0.000 2.848 175 H HA -0.005 4.550 4.556 -0.002 0.000 0.341 175 H C -1.304 174.125 175.328 0.167 0.000 1.060 175 H CA 0.397 56.505 56.048 0.099 0.000 1.444 175 H CB 0.640 30.449 29.762 0.079 0.000 1.446 175 H HN 0.333 nan 8.280 nan 0.000 0.583 176 W N 7.772 128.754 121.300 -0.530 0.000 2.417 176 W HA 0.192 4.850 4.660 -0.002 0.000 0.315 176 W C -1.626 174.701 176.519 -0.321 0.000 1.045 176 W CA -1.109 56.032 57.345 -0.340 0.000 1.221 176 W CB 0.721 29.930 29.460 -0.419 0.000 1.309 176 W HN 0.609 nan 8.180 nan 0.000 0.453 177 Y N 6.467 126.344 120.300 -0.705 0.000 2.365 177 Y HA 0.176 4.725 4.550 -0.002 0.000 0.340 177 Y C 0.431 175.859 175.900 -0.786 0.000 1.016 177 Y CA 0.130 57.929 58.100 -0.501 0.000 1.196 177 Y CB 0.328 38.608 38.460 -0.301 0.000 1.167 177 Y HN 0.240 nan 8.280 nan 0.000 0.509 178 H N 5.608 124.161 119.070 -0.861 0.000 2.864 178 H HA 0.374 4.930 4.556 -0.001 0.000 0.281 178 H C -0.412 174.712 175.328 -0.341 0.000 1.093 178 H CA -0.016 55.802 56.048 -0.384 0.000 1.453 178 H CB 0.634 30.293 29.762 -0.173 0.000 1.462 178 H HN 0.773 nan 8.280 nan 0.000 0.480 179 A N 6.807 129.648 122.820 0.035 0.000 2.252 179 A HA 0.408 4.727 4.320 -0.001 0.000 0.309 179 A C -1.964 175.686 177.584 0.111 0.000 1.285 179 A CA -1.384 50.741 52.037 0.146 0.000 0.900 179 A CB 0.243 19.316 19.000 0.122 0.000 1.157 179 A HN 0.440 nan 8.150 nan 0.000 0.536 180 P HA 0.170 nan 4.420 nan 0.000 0.273 180 P C -0.343 176.991 177.300 0.056 0.000 1.250 180 P CA -0.485 62.655 63.100 0.068 0.000 0.793 180 P CB 0.370 32.099 31.700 0.049 0.000 1.011 181 Q N 1.033 120.859 119.800 0.043 0.000 2.369 181 Q HA 0.095 4.434 4.340 -0.001 0.000 0.295 181 Q C -1.669 174.344 176.000 0.021 0.000 1.075 181 Q CA -0.516 55.304 55.803 0.028 0.000 0.941 181 Q CB -0.744 28.005 28.738 0.018 0.000 1.260 181 Q HN 0.438 nan 8.270 nan 0.000 0.417 182 P HA 0.176 nan 4.420 nan 0.000 0.277 182 P C -0.627 176.673 177.300 0.001 0.000 1.271 182 P CA -0.483 62.621 63.100 0.006 0.000 0.795 182 P CB 0.600 32.300 31.700 0.000 0.000 1.101 183 V N 0.823 120.736 119.914 -0.002 0.000 2.488 183 V HA 0.139 4.259 4.120 -0.001 0.000 0.277 183 V C 0.357 176.444 176.094 -0.012 0.000 1.046 183 V CA -0.185 62.111 62.300 -0.007 0.000 0.986 183 V CB 0.986 32.805 31.823 -0.007 0.000 0.989 183 V HN 0.218 nan 8.190 nan 0.000 0.475 184 V N 4.497 124.401 119.914 -0.017 0.000 2.376 184 V HA 0.652 4.771 4.120 -0.001 0.000 0.287 184 V C 0.018 176.097 176.094 -0.026 0.000 1.015 184 V CA -0.235 62.053 62.300 -0.020 0.000 0.834 184 V CB 1.627 33.438 31.823 -0.021 0.000 1.001 184 V HN 0.988 nan 8.190 nan 0.000 0.428 185 T N 5.161 119.700 114.554 -0.025 0.000 2.916 185 T HA 0.684 5.034 4.350 -0.001 0.000 0.305 185 T C -2.968 171.715 174.700 -0.029 0.000 1.119 185 T CA -1.616 60.466 62.100 -0.031 0.000 1.008 185 T CB 2.446 71.295 68.868 -0.032 0.000 1.129 185 T HN 0.408 nan 8.240 nan 0.000 0.480 186 P HA 0.262 nan 4.420 nan 0.000 0.272 186 P C -0.241 177.045 177.300 -0.023 0.000 1.230 186 P CA -0.424 62.659 63.100 -0.027 0.000 0.788 186 P CB 0.373 32.054 31.700 -0.031 0.000 0.949 187 E N 1.128 121.317 120.200 -0.018 0.000 2.442 187 E HA -0.123 4.226 4.350 -0.001 0.000 0.262 187 E C 1.161 177.752 176.600 -0.015 0.000 1.004 187 E CA 0.380 56.771 56.400 -0.015 0.000 0.928 187 E CB 0.369 30.062 29.700 -0.012 0.000 0.937 187 E HN 0.547 nan 8.360 nan 0.000 0.446 188 E N 2.328 122.520 120.200 -0.013 0.000 2.070 188 E HA -0.277 4.072 4.350 -0.001 0.000 0.197 188 E C 1.029 177.624 176.600 -0.009 0.000 1.004 188 E CA 1.680 58.073 56.400 -0.012 0.000 0.805 188 E CB 0.233 29.927 29.700 -0.010 0.000 0.744 188 E HN 0.381 nan 8.360 nan 0.000 0.451 189 E N 0.699 120.895 120.200 -0.007 0.000 2.097 189 E HA -0.220 4.129 4.350 -0.001 0.000 0.196 189 E C 1.996 178.594 176.600 -0.003 0.000 1.000 189 E CA 1.438 57.836 56.400 -0.003 0.000 0.804 189 E CB -0.162 29.536 29.700 -0.003 0.000 0.740 189 E HN 0.295 nan 8.360 nan 0.000 0.454 190 E N 0.184 120.380 120.200 -0.007 0.000 2.072 190 E HA -0.100 4.249 4.350 -0.001 0.000 0.191 190 E C 2.295 178.890 176.600 -0.008 0.000 0.985 190 E CA 0.613 57.009 56.400 -0.007 0.000 0.801 190 E CB -0.251 29.443 29.700 -0.011 0.000 0.750 190 E HN 0.323 nan 8.360 nan 0.000 0.452 191 L N 0.257 121.471 121.223 -0.014 0.000 2.046 191 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 191 L C 2.704 179.570 176.870 -0.006 0.000 1.077 191 L CA 1.186 56.015 54.840 -0.019 0.000 0.747 191 L CB -0.374 41.669 42.059 -0.027 0.000 0.896 191 L HN 0.032 nan 8.230 nan 0.000 0.432 192 R N 0.090 120.589 120.500 -0.001 0.000 2.081 192 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 192 R C 2.393 178.704 176.300 0.017 0.000 1.131 192 R CA 1.322 57.427 56.100 0.007 0.000 0.960 192 R CB -0.107 30.198 30.300 0.007 0.000 0.856 192 R HN 0.302 nan 8.270 nan 0.000 0.436 193 K N 0.238 120.647 120.400 0.016 0.000 2.057 193 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 193 K C 2.023 178.642 176.600 0.031 0.000 1.049 193 K CA 1.034 57.335 56.287 0.024 0.000 0.931 193 K CB -0.277 32.232 32.500 0.016 0.000 0.714 193 K HN 0.061 nan 8.250 nan 0.000 0.440 194 L N 1.362 122.598 121.223 0.022 0.000 2.017 194 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 194 L C 2.234 179.130 176.870 0.043 0.000 1.073 194 L CA 1.913 56.771 54.840 0.030 0.000 0.745 194 L CB -0.829 41.239 42.059 0.014 0.000 0.894 194 L HN 0.125 nan 8.230 nan 0.000 0.432 195 A N -1.056 121.784 122.820 0.033 0.000 1.908 195 A HA -0.305 4.014 4.320 -0.001 0.000 0.218 195 A C 2.336 179.933 177.584 0.022 0.000 1.181 195 A CA 1.901 53.958 52.037 0.032 0.000 0.627 195 A CB -0.746 18.265 19.000 0.019 0.000 0.818 195 A HN 0.681 nan 8.150 nan 0.000 0.445 196 Q N -0.618 119.206 119.800 0.039 0.000 2.084 196 Q HA -0.120 4.220 4.340 -0.001 0.000 0.202 196 Q C 2.053 178.126 176.000 0.122 0.000 0.978 196 Q CA 1.453 57.301 55.803 0.075 0.000 0.844 196 Q CB -0.223 28.583 28.738 0.113 0.000 0.898 196 Q HN 0.688 nan 8.270 nan 0.000 0.426 197 L N 0.318 121.602 121.223 0.100 0.000 2.017 197 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 197 L C 2.238 179.155 176.870 0.078 0.000 1.073 197 L CA 1.185 56.088 54.840 0.105 0.000 0.745 197 L CB -0.199 41.900 42.059 0.067 0.000 0.894 197 L HN 0.384 nan 8.230 nan 0.000 0.432 198 L N -0.607 120.642 121.223 0.044 0.000 2.083 198 L HA -0.246 4.093 4.340 -0.001 0.000 0.209 198 L C 2.711 179.551 176.870 -0.051 0.000 1.083 198 L CA 1.165 56.012 54.840 0.012 0.000 0.752 198 L CB -0.540 41.544 42.059 0.041 0.000 0.899 198 L HN 0.297 nan 8.230 nan 0.000 0.433 199 R N -0.315 120.119 120.500 -0.109 0.000 2.127 199 R HA -0.204 4.135 4.340 -0.001 0.000 0.238 199 R C 1.159 177.222 176.300 -0.396 0.000 1.134 199 R CA 1.660 57.582 56.100 -0.296 0.000 0.975 199 R CB -0.062 29.972 30.300 -0.442 0.000 0.865 199 R HN 0.293 nan 8.270 nan 0.000 0.447 200 Y N -0.570 119.720 120.300 -0.016 0.000 2.607 200 Y HA 0.397 4.946 4.550 -0.001 0.000 0.266 200 Y C -0.172 175.710 175.900 -0.031 0.000 1.178 200 Y CA -0.384 57.703 58.100 -0.021 0.000 1.226 200 Y CB 0.820 39.270 38.460 -0.017 0.000 1.144 200 Y HN -0.099 nan 8.280 nan 0.000 0.528 201 S N -0.625 115.107 115.700 0.053 0.000 2.578 201 S HA 0.727 5.196 4.470 -0.001 0.000 0.301 201 S C -0.109 174.468 174.600 -0.038 0.000 1.091 201 S CA -0.696 57.509 58.200 0.008 0.000 1.032 201 S CB 1.837 65.033 63.200 -0.006 0.000 1.064 201 S HN 0.065 nan 8.310 nan 0.000 0.508 202 S N 1.568 117.225 115.700 -0.071 0.000 2.671 202 S HA 0.526 4.996 4.470 -0.001 0.000 0.299 202 S C -0.754 173.716 174.600 -0.216 0.000 1.116 202 S CA -1.078 57.056 58.200 -0.110 0.000 0.912 202 S CB 0.867 64.014 63.200 -0.088 0.000 1.130 202 S HN 0.740 nan 8.310 nan 0.000 0.501 203 N N 0.842 119.366 118.700 -0.292 0.000 2.667 203 N HA -0.150 4.589 4.740 -0.001 0.000 0.263 203 N C -1.094 173.990 175.510 -0.709 0.000 1.038 203 N CA 0.579 53.171 53.050 -0.764 0.000 0.749 203 N CB -1.396 36.542 38.487 -0.916 0.000 0.892 203 N HN 0.568 nan 8.380 nan 0.000 0.546 204 I N -0.019 120.398 120.570 -0.254 0.000 2.353 204 I HA 0.536 4.705 4.170 -0.001 0.000 0.293 204 I C 0.851 177.031 176.117 0.105 0.000 0.992 204 I CA -0.619 60.624 61.300 -0.096 0.000 1.268 204 I CB 1.478 39.428 38.000 -0.083 0.000 1.387 204 I HN 0.285 nan 8.210 nan 0.000 0.478 205 A N 7.259 130.150 122.820 0.118 0.000 2.380 205 A HA 0.873 5.192 4.320 -0.001 0.000 0.315 205 A C -0.835 176.784 177.584 0.059 0.000 1.101 205 A CA -0.640 51.490 52.037 0.156 0.000 0.771 205 A CB 1.234 20.362 19.000 0.214 0.000 1.287 205 A HN 0.672 nan 8.150 nan 0.000 0.436 206 L N 1.539 122.781 121.223 0.031 0.000 2.307 206 L HA 0.565 4.905 4.340 -0.001 0.000 0.284 206 L C -0.413 176.464 176.870 0.013 0.000 1.023 206 L CA -0.581 54.284 54.840 0.041 0.000 0.810 206 L CB 1.712 43.801 42.059 0.049 0.000 1.231 206 L HN 0.765 nan 8.230 nan 0.000 0.423 207 M N 4.103 123.715 119.600 0.020 0.000 2.066 207 M HA 0.406 4.885 4.480 -0.001 0.000 0.340 207 M C -1.195 175.120 176.300 0.025 0.000 1.053 207 M CA -0.126 55.157 55.300 -0.029 0.000 0.983 207 M CB 0.632 33.203 32.600 -0.049 0.000 1.520 207 M HN 0.557 nan 8.290 nan 0.000 0.428 208 C N 3.910 123.229 119.300 0.032 0.000 2.379 208 C HA 0.980 5.439 4.460 -0.001 0.000 0.323 208 C C 0.817 175.871 174.990 0.107 0.000 1.262 208 C CA -0.742 58.320 59.018 0.074 0.000 1.581 208 C CB 0.623 28.409 27.740 0.076 0.000 2.221 208 C HN 1.014 nan 8.230 nan 0.000 0.497 209 G N 0.938 109.808 108.800 0.116 0.000 3.075 209 G HA2 0.494 4.454 3.960 -0.001 0.000 0.253 209 G HA3 0.494 4.454 3.960 -0.001 0.000 0.253 209 G C 0.863 175.854 174.900 0.151 0.000 1.353 209 G CA 0.379 45.568 45.100 0.148 0.000 1.051 209 G HN 0.818 nan 8.290 nan 0.000 0.553 210 S N -1.237 114.572 115.700 0.182 0.000 2.507 210 S HA 0.017 4.486 4.470 -0.001 0.000 0.235 210 S C 2.211 176.816 174.600 0.008 0.000 0.988 210 S CA 1.383 59.686 58.200 0.172 0.000 0.944 210 S CB -0.379 62.975 63.200 0.256 0.000 0.762 210 S HN 0.982 nan 8.310 nan 0.000 0.526 211 G N 0.370 109.191 108.800 0.035 0.000 2.498 211 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.219 211 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.219 211 G C 1.177 176.055 174.900 -0.036 0.000 1.119 211 G CA 0.861 45.954 45.100 -0.010 0.000 0.766 211 G HN 0.661 nan 8.290 nan 0.000 0.552 212 C N 1.002 120.290 119.300 -0.021 0.000 2.576 212 C HA 0.583 5.042 4.460 -0.001 0.000 0.267 212 C C 1.970 176.926 174.990 -0.056 0.000 1.364 212 C CA -0.874 58.135 59.018 -0.015 0.000 1.723 212 C CB -1.442 26.318 27.740 0.033 0.000 1.778 212 C HN 0.597 nan 8.230 nan 0.000 0.572 213 A N 0.566 123.245 122.820 -0.235 0.000 2.567 213 A HA 0.397 4.716 4.320 -0.001 0.000 0.240 213 A C 1.479 178.997 177.584 -0.111 0.000 1.053 213 A CA 1.197 52.989 52.037 -0.408 0.000 0.755 213 A CB -0.513 17.985 19.000 -0.838 0.000 0.978 213 A HN 1.489 nan 8.150 nan 0.000 0.507 214 G N 0.902 109.710 108.800 0.014 0.000 2.199 214 G HA2 0.052 4.011 3.960 -0.001 0.000 0.254 214 G HA3 0.052 4.011 3.960 -0.001 0.000 0.254 214 G C 0.756 175.691 174.900 0.057 0.000 0.982 214 G CA 0.783 45.910 45.100 0.045 0.000 0.632 214 G HN 2.201 nan 8.290 nan 0.000 0.529 215 A N -0.238 122.616 122.820 0.057 0.000 2.535 215 A HA 0.548 4.867 4.320 -0.001 0.000 0.273 215 A C 1.223 178.847 177.584 0.066 0.000 1.267 215 A CA 1.134 53.196 52.037 0.042 0.000 0.940 215 A CB -0.386 18.612 19.000 -0.002 0.000 1.101 215 A HN 0.605 nan 8.150 nan 0.000 0.521 216 H N 1.295 120.379 119.070 0.022 0.000 2.289 216 H HA -0.193 4.362 4.556 -0.001 0.000 0.296 216 H C 1.973 177.300 175.328 -0.003 0.000 1.091 216 H CA 2.284 58.327 56.048 -0.008 0.000 1.274 216 H CB 0.073 29.827 29.762 -0.013 0.000 1.364 216 H HN 0.573 nan 8.280 nan 0.000 0.490 217 K N 0.400 120.886 120.400 0.144 0.000 2.032 217 K HA -0.185 4.134 4.320 -0.001 0.000 0.209 217 K C 2.089 178.702 176.600 0.021 0.000 1.048 217 K CA 2.012 58.356 56.287 0.095 0.000 0.927 217 K CB 0.069 32.634 32.500 0.107 0.000 0.712 217 K HN 0.246 nan 8.250 nan 0.000 0.441 218 E N 0.919 121.128 120.200 0.015 0.000 2.072 218 E HA -0.177 4.172 4.350 -0.001 0.000 0.191 218 E C 1.783 178.389 176.600 0.009 0.000 0.985 218 E CA 0.915 57.316 56.400 0.002 0.000 0.801 218 E CB -0.237 29.449 29.700 -0.022 0.000 0.750 218 E HN 0.224 nan 8.360 nan 0.000 0.452 219 L N 0.117 121.325 121.223 -0.025 0.000 2.017 219 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 219 L C 2.068 178.923 176.870 -0.025 0.000 1.073 219 L CA 1.511 56.347 54.840 -0.007 0.000 0.745 219 L CB -0.514 41.505 42.059 -0.067 0.000 0.894 219 L HN 0.026 nan 8.230 nan 0.000 0.432 220 V N -0.167 119.675 119.914 -0.121 0.000 2.427 220 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 220 V C 2.610 178.689 176.094 -0.024 0.000 1.051 220 V CA 1.938 64.200 62.300 -0.063 0.000 1.048 220 V CB -0.606 31.150 31.823 -0.111 0.000 0.666 220 V HN 0.619 nan 8.190 nan 0.000 0.456 221 E N -0.458 119.745 120.200 0.006 0.000 2.077 221 E HA -0.253 4.096 4.350 -0.001 0.000 0.193 221 E C 2.111 178.713 176.600 0.004 0.000 0.989 221 E CA 1.452 57.863 56.400 0.018 0.000 0.800 221 E CB -0.178 29.547 29.700 0.042 0.000 0.746 221 E HN 0.532 nan 8.360 nan 0.000 0.452 222 F N 1.317 121.187 119.950 -0.134 0.000 2.075 222 F HA -0.103 4.423 4.527 -0.001 0.000 0.297 222 F C 2.088 177.755 175.800 -0.222 0.000 1.113 222 F CA 1.611 59.526 58.000 -0.142 0.000 1.218 222 F CB -0.851 38.083 39.000 -0.110 0.000 0.984 222 F HN 0.079 nan 8.300 nan 0.000 0.472 223 A N 0.298 122.878 122.820 -0.400 0.000 1.908 223 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 223 A C 2.517 179.558 177.584 -0.906 0.000 1.181 223 A CA 1.897 53.520 52.037 -0.689 0.000 0.627 223 A CB -1.826 16.793 19.000 -0.636 0.000 0.818 223 A HN 0.529 nan 8.150 nan 0.000 0.445 224 G N -0.771 107.462 108.800 -0.944 0.000 2.408 224 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 224 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 224 G C 1.646 176.369 174.900 -0.295 0.000 1.150 224 G CA 1.180 45.897 45.100 -0.639 0.000 0.776 224 G HN 0.578 nan 8.290 nan 0.000 0.542 225 K N 0.438 120.685 120.400 -0.254 0.000 2.026 225 K HA 0.011 4.330 4.320 -0.001 0.000 0.208 225 K C 2.324 178.803 176.600 -0.202 0.000 1.048 225 K CA 1.402 57.592 56.287 -0.161 0.000 0.929 225 K CB -0.241 32.207 32.500 -0.087 0.000 0.713 225 K HN 0.507 nan 8.250 nan 0.000 0.439 226 I N -2.567 117.803 120.570 -0.334 0.000 3.883 226 I HA 0.118 4.288 4.170 -0.001 0.000 0.326 226 I C -0.747 175.226 176.117 -0.241 0.000 1.283 226 I CA -0.284 60.838 61.300 -0.297 0.000 1.161 226 I CB 0.373 38.126 38.000 -0.411 0.000 1.012 226 I HN -0.042 nan 8.210 nan 0.000 0.421 227 K N 1.470 121.717 120.400 -0.255 0.000 3.393 227 K HA -0.141 4.178 4.320 -0.001 0.000 0.272 227 K C -0.175 176.354 176.600 -0.117 0.000 1.004 227 K CA 0.983 57.176 56.287 -0.157 0.000 0.764 227 K CB -2.095 30.373 32.500 -0.053 0.000 1.373 227 K HN 0.654 nan 8.250 nan 0.000 0.458 228 A N 1.508 124.192 122.820 -0.225 0.000 2.287 228 A HA 0.618 4.937 4.320 -0.001 0.000 0.317 228 A C -2.085 175.445 177.584 -0.090 0.000 1.220 228 A CA -1.482 50.486 52.037 -0.115 0.000 0.835 228 A CB 1.078 19.958 19.000 -0.199 0.000 1.180 228 A HN 0.021 nan 8.150 nan 0.000 0.500 229 P HA 0.255 nan 4.420 nan 0.000 0.269 229 P C -0.649 176.631 177.300 -0.032 0.000 1.215 229 P CA 0.253 63.331 63.100 -0.038 0.000 0.780 229 P CB 0.796 32.399 31.700 -0.161 0.000 0.898 230 I N 1.861 122.415 120.570 -0.027 0.000 2.377 230 I HA 0.304 4.473 4.170 -0.001 0.000 0.293 230 I C 0.492 176.567 176.117 -0.070 0.000 0.987 230 I CA -0.971 60.313 61.300 -0.026 0.000 1.185 230 I CB 1.984 39.990 38.000 0.009 0.000 1.341 230 I HN 0.115 nan 8.210 nan 0.000 0.455 231 V N 6.377 126.231 119.914 -0.100 0.000 2.667 231 V HA 0.586 4.705 4.120 -0.001 0.000 0.308 231 V C -0.798 175.206 176.094 -0.150 0.000 1.048 231 V CA -0.194 61.983 62.300 -0.205 0.000 0.928 231 V CB 1.740 33.381 31.823 -0.304 0.000 1.004 231 V HN 0.817 nan 8.190 nan 0.000 0.444 232 H N 4.227 123.199 119.070 -0.163 0.000 2.524 232 H HA 0.824 5.379 4.556 -0.001 0.000 0.353 232 H C -0.155 175.093 175.328 -0.133 0.000 1.136 232 H CA -0.373 55.610 56.048 -0.108 0.000 1.193 232 H CB 1.777 31.512 29.762 -0.046 0.000 1.558 232 H HN 0.980 nan 8.280 nan 0.000 0.515 233 A N 2.658 125.502 122.820 0.039 0.000 2.366 233 A HA 0.129 4.448 4.320 -0.001 0.000 0.249 233 A C 1.369 179.032 177.584 0.131 0.000 1.084 233 A CA -0.547 51.541 52.037 0.085 0.000 0.794 233 A CB 0.322 19.439 19.000 0.196 0.000 1.034 233 A HN 0.715 nan 8.150 nan 0.000 0.491 234 L N 0.744 121.999 121.223 0.053 0.000 2.013 234 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 234 L C 2.361 179.162 176.870 -0.115 0.000 1.073 234 L CA 2.049 56.820 54.840 -0.114 0.000 0.753 234 L CB -0.550 41.279 42.059 -0.383 0.000 0.890 234 L HN 0.755 nan 8.230 nan 0.000 0.432 235 R N -0.823 119.676 120.500 -0.000 0.000 2.316 235 R HA 0.051 4.390 4.340 -0.001 0.000 0.202 235 R C 1.872 178.292 176.300 0.200 0.000 1.029 235 R CA 0.703 56.882 56.100 0.131 0.000 1.018 235 R CB -0.545 29.900 30.300 0.243 0.000 0.888 235 R HN 0.552 nan 8.270 nan 0.000 0.471 236 G N 1.259 110.164 108.800 0.176 0.000 2.777 236 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.211 236 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.211 236 G C 1.322 176.253 174.900 0.052 0.000 1.149 236 G CA -0.195 45.027 45.100 0.202 0.000 0.785 236 G HN 0.204 nan 8.290 nan 0.000 0.536 237 K N 1.604 121.979 120.400 -0.040 0.000 2.020 237 K HA -0.210 4.109 4.320 -0.001 0.000 0.212 237 K C 2.375 178.874 176.600 -0.168 0.000 1.050 237 K CA 1.955 58.075 56.287 -0.278 0.000 0.929 237 K CB -0.285 32.156 32.500 -0.097 0.000 0.714 237 K HN 0.500 nan 8.250 nan 0.000 0.443 238 E N -0.877 119.241 120.200 -0.137 0.000 2.265 238 E HA -0.213 4.136 4.350 -0.001 0.000 0.196 238 E C 1.326 177.869 176.600 -0.097 0.000 0.996 238 E CA 1.157 57.461 56.400 -0.161 0.000 0.832 238 E CB -0.193 29.351 29.700 -0.260 0.000 0.756 238 E HN 0.537 nan 8.360 nan 0.000 0.491 239 H N -0.467 118.701 119.070 0.162 0.000 2.592 239 H HA 0.203 4.758 4.556 -0.001 0.000 0.265 239 H C 1.442 176.907 175.328 0.228 0.000 0.955 239 H CA 0.721 56.910 56.048 0.236 0.000 1.175 239 H CB 1.244 31.097 29.762 0.153 0.000 1.433 239 H HN 0.129 nan 8.280 nan 0.000 0.537 240 V N -0.322 119.692 119.914 0.166 0.000 3.350 240 V HA 0.015 4.134 4.120 -0.001 0.000 0.246 240 V C 1.027 177.064 176.094 -0.095 0.000 1.363 240 V CA 0.083 62.393 62.300 0.017 0.000 1.162 240 V CB 1.135 32.954 31.823 -0.007 0.000 0.947 240 V HN 0.146 nan 8.190 nan 0.000 0.454 241 E N 1.416 121.552 120.200 -0.108 0.000 2.325 241 E HA 0.258 4.608 4.350 -0.001 0.000 0.295 241 E C -1.136 175.555 176.600 0.153 0.000 1.461 241 E CA -0.235 56.119 56.400 -0.077 0.000 1.698 241 E CB -0.023 29.535 29.700 -0.236 0.000 1.496 241 E HN 0.682 nan 8.360 nan 0.000 0.474 242 Y N -2.825 117.521 120.300 0.077 0.000 2.604 242 Y HA 0.232 4.781 4.550 -0.001 0.000 0.331 242 Y C -0.669 175.323 175.900 0.153 0.000 1.158 242 Y CA -1.656 56.483 58.100 0.065 0.000 1.056 242 Y CB 0.458 38.915 38.460 -0.004 0.000 1.330 242 Y HN -0.059 nan 8.280 nan 0.000 0.457 243 D N 1.724 122.232 120.400 0.181 0.000 2.720 243 D HA -0.232 4.408 4.640 -0.001 0.000 0.229 243 D C -0.865 175.487 176.300 0.086 0.000 1.198 243 D CA 1.564 55.642 54.000 0.131 0.000 0.639 243 D CB -0.811 40.098 40.800 0.182 0.000 1.003 243 D HN 0.692 nan 8.370 nan 0.000 0.411 244 N N 0.108 118.807 118.700 -0.001 0.000 2.653 244 N HA 0.166 4.905 4.740 -0.001 0.000 0.261 244 N C -2.154 173.255 175.510 -0.168 0.000 1.216 244 N CA -1.415 51.591 53.050 -0.073 0.000 0.784 244 N CB 1.308 39.747 38.487 -0.080 0.000 1.327 244 N HN -0.192 nan 8.380 nan 0.000 0.539 245 P HA 0.019 nan 4.420 nan 0.000 0.242 245 P C 0.214 177.153 177.300 -0.602 0.000 1.197 245 P CA 0.722 63.533 63.100 -0.481 0.000 0.765 245 P CB 0.056 31.395 31.700 -0.602 0.000 0.936 246 Y N -0.798 119.432 120.300 -0.117 0.000 2.478 246 Y HA 0.177 4.726 4.550 -0.001 0.000 0.261 246 Y C 1.176 176.967 175.900 -0.183 0.000 1.127 246 Y CA -0.740 57.278 58.100 -0.137 0.000 1.288 246 Y CB -0.336 38.052 38.460 -0.120 0.000 1.084 246 Y HN -0.035 nan 8.280 nan 0.000 0.530 247 D N 0.879 121.209 120.400 -0.118 0.000 2.348 247 D HA 0.051 4.690 4.640 -0.001 0.000 0.253 247 D C 0.229 176.263 176.300 -0.443 0.000 1.161 247 D CA 0.376 54.279 54.000 -0.163 0.000 0.876 247 D CB 1.900 42.655 40.800 -0.075 0.000 1.160 247 D HN 0.090 nan 8.370 nan 0.000 0.459 248 V N 3.538 123.234 119.914 -0.365 0.000 3.159 248 V HA 0.393 4.512 4.120 -0.001 0.000 0.333 248 V C 0.665 176.649 176.094 -0.183 0.000 1.424 248 V CA 0.926 62.942 62.300 -0.474 0.000 1.125 248 V CB -0.341 31.344 31.823 -0.230 0.000 1.075 248 V HN 0.935 nan 8.190 nan 0.000 0.482 249 G N 1.031 109.711 108.800 -0.200 0.000 2.445 249 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.212 249 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.212 249 G C -0.553 173.796 174.900 -0.919 0.000 1.217 249 G CA -0.041 44.829 45.100 -0.384 0.000 1.002 249 G HN 0.367 nan 8.290 nan 0.000 0.574 250 M N 0.685 119.566 119.600 -1.200 0.000 2.619 250 M HA 0.598 5.077 4.480 -0.001 0.000 0.297 250 M C 0.420 176.311 176.300 -0.682 0.000 1.229 250 M CA -0.519 54.260 55.300 -0.869 0.000 0.860 250 M CB 2.574 34.781 32.600 -0.655 0.000 1.741 250 M HN 0.897 nan 8.290 nan 0.000 0.462 251 T N -1.200 113.056 114.554 -0.498 0.000 2.855 251 T HA 0.929 5.278 4.350 -0.001 0.000 0.275 251 T C 0.346 174.823 174.700 -0.371 0.000 1.022 251 T CA -0.171 61.729 62.100 -0.334 0.000 0.977 251 T CB 1.112 69.840 68.868 -0.233 0.000 1.559 251 T HN 1.111 nan 8.240 nan 0.000 0.600 252 G N -0.702 107.632 108.800 -0.777 0.000 2.795 252 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.664 252 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.664 252 G C 0.379 174.808 174.900 -0.785 0.000 1.381 252 G CA -0.257 44.097 45.100 -1.243 0.000 0.853 252 G HN 0.801 nan 8.290 nan 0.000 0.545 253 L N 0.195 121.063 121.223 -0.592 0.000 2.191 253 L HA -0.022 4.317 4.340 -0.001 0.000 0.212 253 L C 2.711 179.491 176.870 -0.150 0.000 1.103 253 L CA 2.062 56.769 54.840 -0.221 0.000 0.769 253 L CB -0.353 41.617 42.059 -0.148 0.000 0.908 253 L HN 0.678 nan 8.230 nan 0.000 0.438 254 I N -3.530 116.938 120.570 -0.171 0.000 3.883 254 I HA 0.282 4.451 4.170 -0.001 0.000 0.326 254 I C 1.286 177.383 176.117 -0.034 0.000 1.283 254 I CA -0.152 61.099 61.300 -0.081 0.000 1.161 254 I CB -0.485 37.456 38.000 -0.099 0.000 1.012 254 I HN -0.024 nan 8.210 nan 0.000 0.421 255 G N 1.707 110.435 108.800 -0.120 0.000 2.485 255 G HA2 0.460 4.419 3.960 -0.001 0.000 0.260 255 G HA3 0.460 4.419 3.960 -0.001 0.000 0.260 255 G C -0.526 174.400 174.900 0.043 0.000 1.459 255 G CA -0.275 44.714 45.100 -0.184 0.000 1.060 255 G HN 0.408 nan 8.290 nan 0.000 0.546 256 F N -3.412 116.493 119.950 -0.074 0.000 2.726 256 F HA 0.538 5.064 4.527 -0.001 0.000 0.324 256 F C 1.433 177.221 175.800 -0.020 0.000 1.140 256 F CA -0.508 57.461 58.000 -0.051 0.000 0.964 256 F CB 0.957 39.929 39.000 -0.046 0.000 1.399 256 F HN 0.468 nan 8.300 nan 0.000 0.491 257 S N 0.046 115.862 115.700 0.194 0.000 2.365 257 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 257 S C 1.863 176.495 174.600 0.053 0.000 1.039 257 S CA 1.874 60.101 58.200 0.045 0.000 1.033 257 S CB -1.407 61.853 63.200 0.101 0.000 0.887 257 S HN 0.856 nan 8.310 nan 0.000 0.447 258 S N 2.268 118.077 115.700 0.180 0.000 2.356 258 S HA 0.022 4.491 4.470 -0.001 0.000 0.223 258 S C 2.170 176.777 174.600 0.010 0.000 1.032 258 S CA 1.076 59.374 58.200 0.162 0.000 1.005 258 S CB -1.739 61.640 63.200 0.298 0.000 0.867 258 S HN 0.721 nan 8.310 nan 0.000 0.449 259 G N 0.871 109.585 108.800 -0.143 0.000 2.421 259 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.216 259 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.216 259 G C 1.192 176.009 174.900 -0.138 0.000 1.171 259 G CA 0.838 45.780 45.100 -0.263 0.000 0.775 259 G HN 0.491 nan 8.290 nan 0.000 0.543 260 F N 1.476 121.291 119.950 -0.226 0.000 2.046 260 F HA -0.136 4.390 4.527 -0.002 0.000 0.297 260 F C 2.766 178.524 175.800 -0.070 0.000 1.123 260 F CA 2.045 59.958 58.000 -0.144 0.000 1.199 260 F CB -0.430 38.459 39.000 -0.184 0.000 0.972 260 F HN 0.193 nan 8.300 nan 0.000 0.474 261 H N -0.611 118.418 119.070 -0.067 0.000 2.387 261 H HA -0.079 4.476 4.556 -0.001 0.000 0.299 261 H C 2.307 177.570 175.328 -0.109 0.000 1.090 261 H CA 1.872 57.834 56.048 -0.144 0.000 1.332 261 H CB -1.141 28.630 29.762 0.015 0.000 1.386 261 H HN 0.269 nan 8.280 nan 0.000 0.516 262 T N 1.495 116.065 114.554 0.027 0.000 2.746 262 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 262 T C 2.271 177.021 174.700 0.083 0.000 1.039 262 T CA 0.995 63.099 62.100 0.007 0.000 1.142 262 T CB -0.063 68.739 68.868 -0.109 0.000 0.866 262 T HN 0.160 nan 8.240 nan 0.000 0.444 263 M N 0.401 119.971 119.600 -0.051 0.000 2.086 263 M HA 0.001 4.480 4.480 -0.001 0.000 0.261 263 M C 2.326 178.585 176.300 -0.068 0.000 1.067 263 M CA 1.409 56.665 55.300 -0.074 0.000 1.116 263 M CB -0.745 31.753 32.600 -0.170 0.000 1.348 263 M HN 0.231 nan 8.290 nan 0.000 0.407 264 M N 0.236 119.726 119.600 -0.183 0.000 2.159 264 M HA -0.151 4.329 4.480 -0.001 0.000 0.263 264 M C 1.320 177.588 176.300 -0.053 0.000 1.063 264 M CA 1.457 56.648 55.300 -0.182 0.000 1.110 264 M CB -1.508 30.855 32.600 -0.395 0.000 1.374 264 M HN 0.235 nan 8.290 nan 0.000 0.411 265 N N 0.229 118.944 118.700 0.025 0.000 2.353 265 N HA 0.153 4.892 4.740 -0.001 0.000 0.185 265 N C 0.336 175.862 175.510 0.027 0.000 1.098 265 N CA 0.185 53.279 53.050 0.072 0.000 0.872 265 N CB -0.102 38.482 38.487 0.161 0.000 0.970 265 N HN 0.180 nan 8.380 nan 0.000 0.467 266 A N 0.722 123.563 122.820 0.036 0.000 2.498 266 A HA 0.061 4.380 4.320 -0.001 0.000 0.239 266 A C 0.617 178.077 177.584 -0.205 0.000 1.068 266 A CA 0.114 52.028 52.037 -0.205 0.000 0.766 266 A CB 0.310 19.294 19.000 -0.027 0.000 1.003 266 A HN 0.037 nan 8.150 nan 0.000 0.497 267 D N 0.178 120.394 120.400 -0.307 0.000 2.346 267 D HA 0.104 4.744 4.640 -0.001 0.000 0.206 267 D C -0.126 176.102 176.300 -0.120 0.000 1.001 267 D CA 1.282 55.175 54.000 -0.178 0.000 0.871 267 D CB 0.385 41.073 40.800 -0.186 0.000 0.943 267 D HN 0.499 nan 8.370 nan 0.000 0.518 268 T N 0.718 115.192 114.554 -0.133 0.000 2.971 268 T HA 0.452 4.801 4.350 -0.001 0.000 0.304 268 T C -1.193 173.487 174.700 -0.033 0.000 1.038 268 T CA -0.587 61.475 62.100 -0.065 0.000 1.007 268 T CB 2.275 71.105 68.868 -0.064 0.000 1.055 268 T HN -0.169 nan 8.240 nan 0.000 0.451 269 L N 4.044 125.275 121.223 0.014 0.000 2.381 269 L HA 0.765 5.105 4.340 -0.001 0.000 0.274 269 L C -1.251 175.660 176.870 0.069 0.000 0.988 269 L CA -0.637 54.234 54.840 0.052 0.000 0.824 269 L CB 1.767 43.879 42.059 0.088 0.000 1.263 269 L HN 0.497 nan 8.230 nan 0.000 0.410 270 V N 6.393 126.356 119.914 0.081 0.000 2.334 270 V HA 0.379 4.498 4.120 -0.001 0.000 0.281 270 V C 0.046 176.202 176.094 0.103 0.000 1.016 270 V CA -0.585 61.775 62.300 0.100 0.000 0.832 270 V CB 1.208 33.119 31.823 0.147 0.000 0.999 270 V HN 0.560 nan 8.190 nan 0.000 0.439 271 L N 6.464 127.749 121.223 0.104 0.000 2.283 271 L HA 0.455 4.794 4.340 -0.001 0.000 0.287 271 L C -0.451 176.471 176.870 0.086 0.000 1.073 271 L CA -0.098 54.812 54.840 0.117 0.000 0.822 271 L CB 0.507 42.654 42.059 0.147 0.000 1.186 271 L HN 0.458 nan 8.230 nan 0.000 0.436 272 L N 3.886 125.157 121.223 0.080 0.000 2.295 272 L HA 0.407 4.746 4.340 -0.001 0.000 0.281 272 L C 0.960 177.863 176.870 0.056 0.000 1.018 272 L CA -0.504 54.367 54.840 0.052 0.000 0.841 272 L CB 1.398 43.485 42.059 0.046 0.000 1.218 272 L HN 0.882 nan 8.230 nan 0.000 0.424 273 G N 1.754 110.581 108.800 0.045 0.000 2.371 273 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.299 273 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.299 273 G C 0.054 175.006 174.900 0.087 0.000 1.014 273 G CA 0.780 45.907 45.100 0.046 0.000 1.097 273 G HN 0.609 nan 8.290 nan 0.000 0.512 274 T N -1.450 113.175 114.554 0.118 0.000 2.903 274 T HA 0.663 5.012 4.350 -0.001 0.000 0.299 274 T C 0.455 175.284 174.700 0.215 0.000 1.093 274 T CA -0.342 61.861 62.100 0.172 0.000 1.002 274 T CB 1.762 70.744 68.868 0.190 0.000 1.127 274 T HN 0.204 nan 8.240 nan 0.000 0.488 275 Q N 1.786 121.730 119.800 0.241 0.000 2.118 275 Q HA 0.272 4.611 4.340 -0.001 0.000 0.219 275 Q C -0.527 175.562 176.000 0.149 0.000 0.794 275 Q CA -0.465 55.492 55.803 0.256 0.000 1.035 275 Q CB 0.444 29.311 28.738 0.215 0.000 1.177 275 Q HN 0.717 nan 8.270 nan 0.000 0.478 276 F N 4.002 123.979 119.950 0.045 0.000 2.460 276 F HA -0.064 4.462 4.527 -0.001 0.000 0.413 276 F C -1.691 173.949 175.800 -0.267 0.000 0.967 276 F CA -0.662 57.288 58.000 -0.083 0.000 1.122 276 F CB 0.960 39.943 39.000 -0.029 0.000 0.927 276 F HN 0.080 nan 8.300 nan 0.000 0.527 277 P HA -0.031 nan 4.420 nan 0.000 0.257 277 P C -0.774 175.950 177.300 -0.961 0.000 1.241 277 P CA 0.533 62.781 63.100 -1.421 0.000 0.816 277 P CB 0.022 30.966 31.700 -1.260 0.000 1.150 278 Y N 0.958 120.854 120.300 -0.674 0.000 2.627 278 Y HA 0.312 4.861 4.550 -0.001 0.000 0.347 278 Y C 1.901 177.975 175.900 0.291 0.000 1.099 278 Y CA -0.400 57.601 58.100 -0.165 0.000 1.408 278 Y CB -0.163 38.164 38.460 -0.222 0.000 1.247 278 Y HN -0.227 nan 8.280 nan 0.000 0.506 279 R N 1.672 122.414 120.500 0.403 0.000 2.127 279 R HA -0.196 4.144 4.340 -0.001 0.000 0.238 279 R C 2.047 178.626 176.300 0.464 0.000 1.134 279 R CA 1.387 57.781 56.100 0.489 0.000 0.975 279 R CB -0.131 30.349 30.300 0.301 0.000 0.865 279 R HN 0.719 nan 8.270 nan 0.000 0.447 280 A N -0.229 122.790 122.820 0.331 0.000 2.168 280 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 280 A C 1.294 178.900 177.584 0.037 0.000 1.152 280 A CA 0.695 52.806 52.037 0.122 0.000 0.716 280 A CB -0.275 18.704 19.000 -0.036 0.000 0.794 280 A HN 0.225 nan 8.150 nan 0.000 0.465 281 F N -1.974 118.154 119.950 0.296 0.000 2.765 281 F HA 0.220 4.746 4.527 -0.001 0.000 0.302 281 F C 0.241 176.080 175.800 0.066 0.000 1.111 281 F CA -0.168 57.970 58.000 0.230 0.000 1.359 281 F CB -0.152 39.044 39.000 0.326 0.000 1.097 281 F HN 0.136 nan 8.300 nan 0.000 0.577 282 Y N 2.013 122.495 120.300 0.303 0.000 2.304 282 Y HA 0.269 4.818 4.550 -0.001 0.000 0.327 282 Y C -1.696 174.253 175.900 0.082 0.000 1.209 282 Y CA -3.026 55.178 58.100 0.173 0.000 1.299 282 Y CB -0.147 38.420 38.460 0.179 0.000 1.249 282 Y HN -0.198 nan 8.280 nan 0.000 0.519 283 P HA 0.019 nan 4.420 nan 0.000 0.272 283 P C 0.334 177.688 177.300 0.090 0.000 1.223 283 P CA -0.074 63.078 63.100 0.088 0.000 0.784 283 P CB 1.148 32.878 31.700 0.051 0.000 0.923 284 T N -1.273 113.312 114.554 0.051 0.000 2.770 284 T HA -0.105 4.244 4.350 -0.001 0.000 0.263 284 T C 0.336 175.052 174.700 0.027 0.000 1.039 284 T CA 1.116 63.241 62.100 0.042 0.000 1.142 284 T CB -0.790 68.095 68.868 0.028 0.000 0.868 284 T HN 0.553 nan 8.240 nan 0.000 0.435 285 D N 1.164 121.572 120.400 0.014 0.000 2.408 285 D HA 0.639 5.278 4.640 -0.001 0.000 0.261 285 D C -0.903 175.393 176.300 -0.007 0.000 1.190 285 D CA -0.851 53.151 54.000 0.003 0.000 0.910 285 D CB 0.825 41.624 40.800 -0.002 0.000 1.097 285 D HN 0.556 nan 8.370 nan 0.000 0.522 286 A N 1.926 124.745 122.820 -0.002 0.000 2.549 286 A HA 0.618 4.938 4.320 -0.001 0.000 0.297 286 A C -0.706 176.875 177.584 -0.005 0.000 1.061 286 A CA -1.095 50.934 52.037 -0.013 0.000 0.690 286 A CB 1.409 20.406 19.000 -0.004 0.000 1.287 286 A HN 0.141 nan 8.150 nan 0.000 0.402 287 K N 1.155 121.548 120.400 -0.011 0.000 2.401 287 K HA 0.401 4.720 4.320 -0.001 0.000 0.278 287 K C -0.647 175.957 176.600 0.008 0.000 1.018 287 K CA 0.381 56.667 56.287 -0.003 0.000 0.981 287 K CB 0.096 32.595 32.500 -0.002 0.000 0.933 287 K HN 0.558 nan 8.250 nan 0.000 0.477 288 I N 4.596 125.172 120.570 0.010 0.000 2.406 288 I HA 0.363 4.533 4.170 -0.001 0.000 0.290 288 I C -0.061 176.066 176.117 0.017 0.000 0.999 288 I CA -0.751 60.561 61.300 0.020 0.000 1.124 288 I CB 1.177 39.181 38.000 0.007 0.000 1.289 288 I HN 0.304 nan 8.210 nan 0.000 0.441 289 I N 5.730 126.319 120.570 0.032 0.000 2.433 289 I HA 0.394 4.563 4.170 -0.001 0.000 0.292 289 I C -0.448 175.691 176.117 0.037 0.000 1.001 289 I CA -0.452 60.867 61.300 0.031 0.000 1.119 289 I CB 1.951 39.977 38.000 0.044 0.000 1.289 289 I HN 0.560 nan 8.210 nan 0.000 0.438 290 Q N 6.593 126.407 119.800 0.023 0.000 2.323 290 Q HA 0.647 4.986 4.340 -0.001 0.000 0.271 290 Q C -1.762 174.246 176.000 0.013 0.000 1.048 290 Q CA -0.561 55.259 55.803 0.028 0.000 0.792 290 Q CB 2.241 30.992 28.738 0.022 0.000 1.280 290 Q HN 0.607 nan 8.270 nan 0.000 0.441 291 I N 3.129 123.707 120.570 0.013 0.000 2.406 291 I HA 0.526 4.695 4.170 -0.001 0.000 0.290 291 I C -0.803 175.313 176.117 -0.002 0.000 0.999 291 I CA -0.629 60.666 61.300 -0.007 0.000 1.124 291 I CB 1.773 39.756 38.000 -0.030 0.000 1.289 291 I HN 0.625 nan 8.210 nan 0.000 0.441 292 D N 4.830 125.224 120.400 -0.009 0.000 2.654 292 D HA 0.304 4.944 4.640 -0.001 0.000 0.231 292 D C 0.374 176.661 176.300 -0.022 0.000 1.239 292 D CA -0.465 53.529 54.000 -0.010 0.000 0.790 292 D CB 2.518 43.319 40.800 0.002 0.000 1.480 292 D HN 0.532 nan 8.370 nan 0.000 0.442 293 I N -0.404 120.147 120.570 -0.031 0.000 3.059 293 I HA 0.166 4.335 4.170 -0.001 0.000 0.270 293 I C 0.708 176.805 176.117 -0.034 0.000 1.238 293 I CA 0.173 61.453 61.300 -0.034 0.000 1.478 293 I CB -0.135 37.840 38.000 -0.041 0.000 1.097 293 I HN -0.032 nan 8.210 nan 0.000 0.455 294 N N 1.832 120.510 118.700 -0.036 0.000 2.476 294 N HA 0.297 5.036 4.740 -0.001 0.000 0.257 294 N C -1.979 173.520 175.510 -0.018 0.000 0.970 294 N CA -2.536 50.494 53.050 -0.032 0.000 0.938 294 N CB 1.685 40.142 38.487 -0.051 0.000 1.144 294 N HN -0.198 nan 8.380 nan 0.000 0.500 295 P HA -0.098 nan 4.420 nan 0.000 0.218 295 P C 0.669 177.962 177.300 -0.010 0.000 1.146 295 P CA 1.066 64.159 63.100 -0.011 0.000 0.813 295 P CB 0.272 31.967 31.700 -0.008 0.000 0.778 296 A N -1.077 121.740 122.820 -0.004 0.000 2.121 296 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 296 A C 2.159 179.737 177.584 -0.010 0.000 1.154 296 A CA 1.493 53.529 52.037 -0.002 0.000 0.679 296 A CB -1.068 17.942 19.000 0.018 0.000 0.795 296 A HN 0.132 nan 8.150 nan 0.000 0.458 297 S N -0.568 115.131 115.700 -0.003 0.000 2.501 297 S HA 0.222 4.691 4.470 -0.001 0.000 0.220 297 S C 0.587 175.183 174.600 -0.007 0.000 0.997 297 S CA -0.124 58.083 58.200 0.012 0.000 0.919 297 S CB -0.176 63.044 63.200 0.033 0.000 0.778 297 S HN 0.504 nan 8.310 nan 0.000 0.523 298 I N 2.143 122.702 120.570 -0.018 0.000 2.363 298 I HA 0.273 4.442 4.170 -0.001 0.000 0.292 298 I C 1.276 177.364 176.117 -0.048 0.000 1.075 298 I CA 0.061 61.347 61.300 -0.023 0.000 1.333 298 I CB 0.389 38.378 38.000 -0.018 0.000 1.415 298 I HN 0.361 nan 8.210 nan 0.000 0.502 299 G N 4.491 113.252 108.800 -0.064 0.000 2.141 299 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.242 299 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.242 299 G C 0.979 175.790 174.900 -0.148 0.000 0.982 299 G CA 0.307 45.351 45.100 -0.094 0.000 0.662 299 G HN 0.774 nan 8.290 nan 0.000 0.527 300 A N -0.474 122.222 122.820 -0.207 0.000 1.968 300 A HA 0.203 4.522 4.320 -0.001 0.000 0.217 300 A C 1.580 178.746 177.584 -0.697 0.000 1.169 300 A CA 1.889 53.657 52.037 -0.449 0.000 0.638 300 A CB -0.237 18.447 19.000 -0.527 0.000 0.812 300 A HN 0.700 nan 8.150 nan 0.000 0.446 301 H N -1.477 117.565 119.070 -0.046 0.000 2.885 301 H HA 0.290 4.845 4.556 -0.001 0.000 0.254 301 H C -0.278 174.906 175.328 -0.239 0.000 1.185 301 H CA 0.623 56.648 56.048 -0.039 0.000 1.029 301 H CB 0.151 29.977 29.762 0.107 0.000 1.743 301 H HN 0.555 nan 8.280 nan 0.000 0.632 302 S N 0.258 115.814 115.700 -0.241 0.000 2.595 302 S HA 0.346 4.815 4.470 -0.001 0.000 0.270 302 S C -0.799 173.693 174.600 -0.180 0.000 1.145 302 S CA -1.179 56.823 58.200 -0.329 0.000 0.825 302 S CB 2.541 65.286 63.200 -0.759 0.000 1.107 302 S HN 0.309 nan 8.310 nan 0.000 0.461 303 K N 0.321 120.648 120.400 -0.122 0.000 2.286 303 K HA 0.628 4.948 4.320 -0.001 0.000 0.256 303 K C -0.855 175.698 176.600 -0.078 0.000 0.999 303 K CA -0.629 55.613 56.287 -0.075 0.000 0.908 303 K CB 0.373 32.847 32.500 -0.043 0.000 0.981 303 K HN 0.465 nan 8.250 nan 0.000 0.500 304 V N 2.142 122.025 119.914 -0.051 0.000 2.569 304 V HA 0.067 4.186 4.120 -0.001 0.000 0.301 304 V C -0.314 175.767 176.094 -0.022 0.000 1.044 304 V CA -0.706 61.571 62.300 -0.037 0.000 0.874 304 V CB 1.566 33.367 31.823 -0.036 0.000 1.002 304 V HN 0.937 nan 8.190 nan 0.000 0.424 305 D N 3.382 123.774 120.400 -0.013 0.000 2.240 305 D HA 0.122 4.761 4.640 -0.001 0.000 0.206 305 D C 0.428 176.726 176.300 -0.004 0.000 0.963 305 D CA 0.970 54.965 54.000 -0.008 0.000 0.863 305 D CB 0.898 41.696 40.800 -0.004 0.000 0.973 305 D HN 0.424 nan 8.370 nan 0.000 0.501 306 M N 0.641 120.241 119.600 -0.001 0.000 2.271 306 M HA 0.467 4.946 4.480 -0.001 0.000 0.285 306 M C -2.172 174.128 176.300 -0.000 0.000 1.059 306 M CA -0.433 54.868 55.300 0.001 0.000 0.940 306 M CB 2.496 35.101 32.600 0.008 0.000 1.636 306 M HN -0.197 nan 8.290 nan 0.000 0.460 307 A N 4.954 127.771 122.820 -0.005 0.000 2.342 307 A HA 0.887 5.206 4.320 -0.001 0.000 0.323 307 A C -1.800 175.779 177.584 -0.009 0.000 1.125 307 A CA -0.571 51.462 52.037 -0.007 0.000 0.785 307 A CB 1.100 20.093 19.000 -0.011 0.000 1.221 307 A HN 0.739 nan 8.150 nan 0.000 0.463 308 L N 1.925 123.141 121.223 -0.011 0.000 2.408 308 L HA 0.511 4.850 4.340 -0.001 0.000 0.268 308 L C -0.479 176.380 176.870 -0.019 0.000 0.986 308 L CA -0.513 54.317 54.840 -0.017 0.000 0.820 308 L CB 2.077 44.122 42.059 -0.023 0.000 1.303 308 L HN 0.397 nan 8.230 nan 0.000 0.411 309 V N 1.890 121.792 119.914 -0.020 0.000 2.406 309 V HA 0.920 5.039 4.120 -0.001 0.000 0.272 309 V C 0.529 176.606 176.094 -0.027 0.000 1.043 309 V CA -0.083 62.204 62.300 -0.021 0.000 0.915 309 V CB 0.720 32.531 31.823 -0.019 0.000 0.988 309 V HN 0.913 nan 8.190 nan 0.000 0.466 310 G N 3.399 112.181 108.800 -0.031 0.000 2.519 310 G HA2 0.464 4.424 3.960 -0.001 0.000 0.292 310 G HA3 0.464 4.424 3.960 -0.001 0.000 0.292 310 G C -1.700 173.177 174.900 -0.038 0.000 1.507 310 G CA -0.773 44.305 45.100 -0.036 0.000 0.806 310 G HN 0.766 nan 8.290 nan 0.000 0.523 311 D N 0.277 120.654 120.400 -0.038 0.000 2.304 311 D HA 0.301 4.940 4.640 -0.001 0.000 0.250 311 D C 1.485 177.756 176.300 -0.050 0.000 1.107 311 D CA -0.699 53.278 54.000 -0.039 0.000 0.885 311 D CB 0.663 41.444 40.800 -0.031 0.000 1.192 311 D HN 0.094 nan 8.370 nan 0.000 0.436 312 I N 3.073 123.613 120.570 -0.050 0.000 2.179 312 I HA -0.192 3.977 4.170 -0.001 0.000 0.242 312 I C 2.200 178.273 176.117 -0.073 0.000 1.088 312 I CA 1.344 62.605 61.300 -0.065 0.000 1.357 312 I CB -1.185 36.785 38.000 -0.051 0.000 1.051 312 I HN 0.714 nan 8.210 nan 0.000 0.409 313 K N 1.166 121.535 120.400 -0.050 0.000 2.009 313 K HA -0.206 4.113 4.320 -0.001 0.000 0.210 313 K C 2.330 178.900 176.600 -0.050 0.000 1.049 313 K CA 2.366 58.628 56.287 -0.042 0.000 0.929 313 K CB -0.005 32.483 32.500 -0.021 0.000 0.714 313 K HN 0.406 nan 8.250 nan 0.000 0.440 314 S N -0.651 115.021 115.700 -0.045 0.000 2.436 314 S HA -0.055 4.414 4.470 -0.001 0.000 0.228 314 S C 1.861 176.423 174.600 -0.062 0.000 1.014 314 S CA 1.275 59.448 58.200 -0.044 0.000 0.950 314 S CB -0.275 62.906 63.200 -0.032 0.000 0.784 314 S HN 0.299 nan 8.310 nan 0.000 0.504 315 T N 3.506 118.013 114.554 -0.079 0.000 2.674 315 T HA 0.079 4.428 4.350 -0.001 0.000 0.265 315 T C 1.724 176.333 174.700 -0.151 0.000 1.039 315 T CA 1.577 63.614 62.100 -0.104 0.000 1.150 315 T CB -0.577 68.224 68.868 -0.111 0.000 0.864 315 T HN 0.319 nan 8.240 nan 0.000 0.427 316 L N 0.257 121.368 121.223 -0.186 0.000 2.083 316 L HA -0.076 4.263 4.340 -0.001 0.000 0.209 316 L C 2.915 179.695 176.870 -0.150 0.000 1.083 316 L CA 1.314 56.002 54.840 -0.254 0.000 0.752 316 L CB -0.507 41.391 42.059 -0.267 0.000 0.899 316 L HN 0.165 nan 8.230 nan 0.000 0.433 317 R N -0.135 120.310 120.500 -0.092 0.000 2.096 317 R HA -0.133 4.206 4.340 -0.001 0.000 0.235 317 R C 2.374 178.643 176.300 -0.051 0.000 1.127 317 R CA 1.412 57.480 56.100 -0.054 0.000 0.968 317 R CB -0.318 29.961 30.300 -0.036 0.000 0.861 317 R HN 0.361 nan 8.270 nan 0.000 0.440 318 A N 0.376 123.160 122.820 -0.060 0.000 1.970 318 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 318 A C 1.922 179.474 177.584 -0.054 0.000 1.170 318 A CA 0.629 52.637 52.037 -0.048 0.000 0.645 318 A CB -0.165 18.807 19.000 -0.046 0.000 0.816 318 A HN 0.223 nan 8.150 nan 0.000 0.447 319 L N -0.406 120.765 121.223 -0.087 0.000 2.095 319 L HA 0.068 4.407 4.340 -0.001 0.000 0.204 319 L C 2.180 179.024 176.870 -0.043 0.000 1.080 319 L CA 1.337 56.124 54.840 -0.088 0.000 0.759 319 L CB -0.540 41.410 42.059 -0.182 0.000 0.914 319 L HN 0.354 nan 8.230 nan 0.000 0.439 320 L N 0.087 121.284 121.223 -0.044 0.000 2.021 320 L HA -0.226 4.113 4.340 -0.001 0.000 0.215 320 L C -0.318 176.566 176.870 0.024 0.000 1.074 320 L CA 1.844 56.697 54.840 0.022 0.000 0.760 320 L CB -1.853 40.219 42.059 0.021 0.000 0.889 320 L HN 0.289 nan 8.230 nan 0.000 0.433 321 P HA -0.115 nan 4.420 nan 0.000 0.226 321 P C 1.580 178.883 177.300 0.004 0.000 1.153 321 P CA 1.186 64.289 63.100 0.005 0.000 0.777 321 P CB 0.073 31.772 31.700 -0.001 0.000 0.794 322 L N -2.069 119.156 121.223 0.004 0.000 2.446 322 L HA 0.066 4.405 4.340 -0.001 0.000 0.219 322 L C 0.635 177.511 176.870 0.009 0.000 1.116 322 L CA 0.141 54.983 54.840 0.004 0.000 0.844 322 L CB -0.112 41.946 42.059 -0.000 0.000 0.970 322 L HN -0.241 nan 8.230 nan 0.000 0.457 323 V N 0.804 120.734 119.914 0.027 0.000 2.432 323 V HA 0.106 4.225 4.120 -0.001 0.000 0.275 323 V C 0.364 176.462 176.094 0.007 0.000 1.043 323 V CA -0.543 61.779 62.300 0.036 0.000 0.925 323 V CB 1.412 33.303 31.823 0.114 0.000 0.985 323 V HN 0.152 nan 8.190 nan 0.000 0.466 324 E N 3.344 123.530 120.200 -0.024 0.000 2.354 324 E HA 0.149 4.498 4.350 -0.001 0.000 0.269 324 E C 0.044 176.616 176.600 -0.047 0.000 1.036 324 E CA -0.347 56.029 56.400 -0.040 0.000 0.876 324 E CB 0.792 30.453 29.700 -0.065 0.000 1.009 324 E HN 0.680 nan 8.360 nan 0.000 0.416 325 E N 3.179 123.354 120.200 -0.041 0.000 2.376 325 E HA -0.007 4.342 4.350 -0.001 0.000 0.266 325 E C -0.679 175.885 176.600 -0.059 0.000 1.009 325 E CA 0.122 56.493 56.400 -0.050 0.000 0.902 325 E CB 0.578 30.258 29.700 -0.034 0.000 0.972 325 E HN 0.240 nan 8.360 nan 0.000 0.439 326 K N 2.252 122.608 120.400 -0.073 0.000 2.156 326 K HA 0.316 4.635 4.320 -0.001 0.000 0.271 326 K C 0.150 176.722 176.600 -0.047 0.000 0.995 326 K CA -0.292 55.954 56.287 -0.067 0.000 0.890 326 K CB 1.847 34.298 32.500 -0.082 0.000 1.073 326 K HN 0.463 nan 8.250 nan 0.000 0.454 327 A N 1.670 124.470 122.820 -0.034 0.000 2.030 327 A HA -0.072 4.248 4.320 -0.001 0.000 0.215 327 A C 0.599 178.178 177.584 -0.010 0.000 1.164 327 A CA 0.640 52.666 52.037 -0.018 0.000 0.697 327 A CB -0.121 18.871 19.000 -0.014 0.000 0.827 327 A HN 0.756 nan 8.150 nan 0.000 0.457 328 D N 0.744 121.137 120.400 -0.012 0.000 2.338 328 D HA 0.201 4.840 4.640 -0.001 0.000 0.255 328 D C 0.855 177.165 176.300 0.016 0.000 1.237 328 D CA -0.115 53.886 54.000 0.002 0.000 0.883 328 D CB 0.366 41.165 40.800 -0.001 0.000 1.087 328 D HN 0.468 nan 8.370 nan 0.000 0.485 329 R N 2.279 122.797 120.500 0.029 0.000 2.596 329 R HA 0.266 4.605 4.340 -0.001 0.000 0.369 329 R C 1.019 177.354 176.300 0.058 0.000 1.042 329 R CA -0.562 55.564 56.100 0.043 0.000 1.120 329 R CB 0.203 30.524 30.300 0.035 0.000 1.353 329 R HN 0.117 nan 8.270 nan 0.000 0.564 330 K N 0.607 121.049 120.400 0.070 0.000 2.032 330 K HA -0.127 4.192 4.320 -0.001 0.000 0.209 330 K C 1.326 177.995 176.600 0.115 0.000 1.048 330 K CA 1.830 58.163 56.287 0.078 0.000 0.927 330 K CB -0.237 32.309 32.500 0.077 0.000 0.712 330 K HN 0.088 nan 8.250 nan 0.000 0.441 331 F N 1.723 121.666 119.950 -0.010 0.000 2.102 331 F HA -0.189 4.337 4.527 -0.002 0.000 0.298 331 F C 1.955 177.754 175.800 -0.002 0.000 1.105 331 F CA 1.062 59.055 58.000 -0.011 0.000 1.239 331 F CB -0.474 38.512 39.000 -0.023 0.000 0.991 331 F HN -0.065 nan 8.300 nan 0.000 0.474 332 L N 0.697 121.906 121.223 -0.023 0.000 2.012 332 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 332 L C 1.954 178.766 176.870 -0.096 0.000 1.073 332 L CA 2.212 56.991 54.840 -0.101 0.000 0.748 332 L CB -1.257 40.817 42.059 0.025 0.000 0.891 332 L HN 0.048 nan 8.230 nan 0.000 0.431 333 D N -0.390 119.989 120.400 -0.035 0.000 2.144 333 D HA -0.207 4.432 4.640 -0.001 0.000 0.199 333 D C 2.145 178.420 176.300 -0.041 0.000 0.984 333 D CA 1.287 55.274 54.000 -0.022 0.000 0.834 333 D CB -0.029 40.773 40.800 0.003 0.000 0.955 333 D HN 0.259 nan 8.370 nan 0.000 0.465 334 K N 1.104 121.464 120.400 -0.067 0.000 2.057 334 K HA 0.005 4.324 4.320 -0.001 0.000 0.206 334 K C 1.825 178.362 176.600 -0.106 0.000 1.050 334 K CA 1.380 57.626 56.287 -0.068 0.000 0.935 334 K CB -0.496 31.974 32.500 -0.050 0.000 0.715 334 K HN 0.000 nan 8.250 nan 0.000 0.439 335 A N 0.749 123.430 122.820 -0.232 0.000 1.908 335 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 335 A C 2.221 179.777 177.584 -0.046 0.000 1.181 335 A CA 1.659 53.571 52.037 -0.208 0.000 0.627 335 A CB -0.736 18.032 19.000 -0.387 0.000 0.818 335 A HN 0.331 nan 8.150 nan 0.000 0.445 336 L N -1.074 120.127 121.223 -0.036 0.000 2.083 336 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 336 L C 2.651 179.583 176.870 0.103 0.000 1.083 336 L CA 1.715 56.583 54.840 0.048 0.000 0.752 336 L CB -0.442 41.623 42.059 0.010 0.000 0.899 336 L HN 0.564 nan 8.230 nan 0.000 0.433 337 E N 0.151 120.379 120.200 0.048 0.000 2.072 337 E HA -0.233 4.116 4.350 -0.001 0.000 0.191 337 E C 1.662 178.299 176.600 0.062 0.000 0.985 337 E CA 1.225 57.652 56.400 0.045 0.000 0.801 337 E CB 0.172 29.884 29.700 0.020 0.000 0.750 337 E HN 0.375 nan 8.360 nan 0.000 0.452 338 D N -0.353 120.091 120.400 0.074 0.000 2.123 338 D HA -0.200 4.439 4.640 -0.001 0.000 0.196 338 D C 1.609 178.000 176.300 0.151 0.000 0.992 338 D CA 0.970 55.037 54.000 0.112 0.000 0.833 338 D CB -0.383 40.494 40.800 0.128 0.000 0.954 338 D HN 0.269 nan 8.370 nan 0.000 0.455 339 Y N 1.636 121.963 120.300 0.046 0.000 2.145 339 Y HA -0.172 4.377 4.550 -0.001 0.000 0.286 339 Y C 2.246 178.177 175.900 0.052 0.000 1.145 339 Y CA 1.631 59.775 58.100 0.074 0.000 1.148 339 Y CB -0.151 38.341 38.460 0.053 0.000 0.981 339 Y HN -0.152 nan 8.280 nan 0.000 0.507 340 R N 0.119 120.598 120.500 -0.035 0.000 2.103 340 R HA -0.189 4.150 4.340 -0.001 0.000 0.242 340 R C 1.825 178.041 176.300 -0.140 0.000 1.142 340 R CA 1.721 57.745 56.100 -0.126 0.000 0.960 340 R CB -0.421 29.868 30.300 -0.017 0.000 0.858 340 R HN 0.386 nan 8.270 nan 0.000 0.439 341 D N 0.365 120.727 120.400 -0.062 0.000 2.097 341 D HA -0.107 4.532 4.640 -0.001 0.000 0.197 341 D C 1.868 178.123 176.300 -0.074 0.000 0.984 341 D CA 1.552 55.526 54.000 -0.044 0.000 0.826 341 D CB -0.325 40.481 40.800 0.011 0.000 0.973 341 D HN 0.262 nan 8.370 nan 0.000 0.460 342 A N 0.896 123.674 122.820 -0.069 0.000 1.902 342 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 342 A C 2.201 179.624 177.584 -0.270 0.000 1.181 342 A CA 1.427 53.415 52.037 -0.083 0.000 0.623 342 A CB -0.488 18.577 19.000 0.109 0.000 0.818 342 A HN 0.086 nan 8.150 nan 0.000 0.443 343 R N -0.333 119.919 120.500 -0.413 0.000 2.092 343 R HA -0.134 4.205 4.340 -0.001 0.000 0.231 343 R C 2.297 178.437 176.300 -0.265 0.000 1.119 343 R CA 1.735 57.561 56.100 -0.457 0.000 0.970 343 R CB -0.209 29.751 30.300 -0.566 0.000 0.864 343 R HN 0.596 nan 8.270 nan 0.000 0.440 344 K N -0.567 119.715 120.400 -0.196 0.000 2.097 344 K HA -0.093 4.226 4.320 -0.001 0.000 0.206 344 K C 1.874 178.419 176.600 -0.093 0.000 1.049 344 K CA 1.569 57.785 56.287 -0.119 0.000 0.933 344 K CB -0.246 32.201 32.500 -0.088 0.000 0.717 344 K HN 0.277 nan 8.250 nan 0.000 0.442 345 G N 1.333 110.073 108.800 -0.100 0.000 2.418 345 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 345 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 345 G C 1.341 176.201 174.900 -0.066 0.000 1.158 345 G CA 0.417 45.476 45.100 -0.070 0.000 0.771 345 G HN 0.152 nan 8.290 nan 0.000 0.545 346 L N 1.304 122.450 121.223 -0.129 0.000 2.012 346 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 346 L C 2.316 179.238 176.870 0.086 0.000 1.073 346 L CA 1.640 56.422 54.840 -0.097 0.000 0.748 346 L CB -0.800 41.025 42.059 -0.391 0.000 0.891 346 L HN 0.141 nan 8.230 nan 0.000 0.431 347 D N -0.728 119.679 120.400 0.012 0.000 2.178 347 D HA -0.145 4.495 4.640 -0.001 0.000 0.202 347 D C 1.760 178.071 176.300 0.018 0.000 0.974 347 D CA 0.827 54.857 54.000 0.049 0.000 0.841 347 D CB -0.088 40.706 40.800 -0.010 0.000 0.953 347 D HN 0.303 nan 8.370 nan 0.000 0.478 348 D N -0.056 120.336 120.400 -0.013 0.000 2.219 348 D HA -0.045 4.594 4.640 -0.001 0.000 0.205 348 D C 2.070 178.334 176.300 -0.059 0.000 0.970 348 D CA 0.291 54.270 54.000 -0.036 0.000 0.851 348 D CB -0.014 40.761 40.800 -0.041 0.000 0.943 348 D HN 0.262 nan 8.370 nan 0.000 0.488 349 L N 0.042 121.235 121.223 -0.051 0.000 2.395 349 L HA 0.064 4.404 4.340 -0.001 0.000 0.218 349 L C 1.324 178.094 176.870 -0.167 0.000 1.130 349 L CA 0.257 55.018 54.840 -0.132 0.000 0.826 349 L CB -0.007 42.010 42.059 -0.069 0.000 0.941 349 L HN -0.109 nan 8.230 nan 0.000 0.451 350 A N 0.455 123.222 122.820 -0.089 0.000 3.282 350 A HA 0.298 4.617 4.320 -0.001 0.000 0.287 350 A C 0.105 177.721 177.584 0.052 0.000 1.366 350 A CA -0.327 51.656 52.037 -0.091 0.000 1.069 350 A CB -0.342 18.547 19.000 -0.185 0.000 1.109 350 A HN 0.047 nan 8.150 nan 0.000 0.638 351 K N 1.190 121.572 120.400 -0.030 0.000 2.267 351 K HA 0.522 4.842 4.320 -0.001 0.000 0.246 351 K C -3.004 173.279 176.600 -0.528 0.000 0.954 351 K CA -2.094 54.090 56.287 -0.173 0.000 0.824 351 K CB 2.049 34.484 32.500 -0.108 0.000 1.167 351 K HN 0.152 nan 8.250 nan 0.000 0.431 352 P HA 0.088 nan 4.420 nan 0.000 0.274 352 P C -0.612 176.428 177.300 -0.433 0.000 1.237 352 P CA -0.165 62.362 63.100 -0.955 0.000 0.793 352 P CB 1.138 32.399 31.700 -0.732 0.000 0.977 353 S N -0.279 115.200 115.700 -0.368 0.000 2.596 353 S HA 0.242 4.711 4.470 -0.001 0.000 0.270 353 S C 0.379 174.855 174.600 -0.206 0.000 1.155 353 S CA -0.483 57.569 58.200 -0.245 0.000 0.827 353 S CB 1.305 64.348 63.200 -0.262 0.000 1.130 353 S HN 0.357 nan 8.310 nan 0.000 0.467 354 E N 0.518 120.629 120.200 -0.147 0.000 2.400 354 E HA 0.147 4.496 4.350 -0.001 0.000 0.195 354 E C 1.091 177.622 176.600 -0.116 0.000 1.012 354 E CA 0.242 56.572 56.400 -0.117 0.000 0.875 354 E CB 0.182 29.831 29.700 -0.084 0.000 0.859 354 E HN 0.357 nan 8.360 nan 0.000 0.498 355 K N 0.469 120.790 120.400 -0.132 0.000 2.001 355 K HA 0.071 4.390 4.320 -0.001 0.000 0.208 355 K C 0.104 176.620 176.600 -0.140 0.000 1.048 355 K CA 1.107 57.323 56.287 -0.118 0.000 0.932 355 K CB 0.304 32.742 32.500 -0.103 0.000 0.715 355 K HN 0.102 nan 8.250 nan 0.000 0.437 356 A N -0.860 121.827 122.820 -0.222 0.000 2.569 356 A HA 0.413 4.732 4.320 -0.001 0.000 0.292 356 A C -1.490 175.896 177.584 -0.330 0.000 1.032 356 A CA -0.870 51.042 52.037 -0.209 0.000 0.669 356 A CB 0.441 19.351 19.000 -0.150 0.000 1.290 356 A HN 0.062 nan 8.150 nan 0.000 0.422 357 I N 3.120 123.557 120.570 -0.221 0.000 2.337 357 I HA 0.231 4.400 4.170 -0.001 0.000 0.291 357 I C -0.194 175.809 176.117 -0.190 0.000 1.046 357 I CA -0.544 60.635 61.300 -0.203 0.000 1.324 357 I CB 0.591 38.532 38.000 -0.097 0.000 1.409 357 I HN 0.509 nan 8.210 nan 0.000 0.494 358 H N 8.667 127.685 119.070 -0.086 0.000 2.975 358 H HA 0.071 4.626 4.556 -0.001 0.000 0.303 358 H C -1.462 173.737 175.328 -0.214 0.000 1.023 358 H CA -2.015 53.944 56.048 -0.148 0.000 1.473 358 H CB 0.528 30.187 29.762 -0.172 0.000 1.498 358 H HN 0.424 nan 8.280 nan 0.000 0.549 359 P HA -0.175 nan 4.420 nan 0.000 0.219 359 P C 1.229 178.157 177.300 -0.621 0.000 1.146 359 P CA 1.117 64.030 63.100 -0.311 0.000 0.808 359 P CB 0.424 31.967 31.700 -0.261 0.000 0.779 360 Q N -0.995 118.282 119.800 -0.871 0.000 2.172 360 Q HA -0.187 4.152 4.340 -0.001 0.000 0.200 360 Q C 2.191 177.761 176.000 -0.716 0.000 0.964 360 Q CA 1.114 56.296 55.803 -1.034 0.000 0.855 360 Q CB -1.616 26.458 28.738 -1.106 0.000 0.918 360 Q HN 0.236 nan 8.270 nan 0.000 0.444 361 Y N 2.268 122.291 120.300 -0.461 0.000 2.128 361 Y HA -0.235 4.314 4.550 -0.001 0.000 0.284 361 Y C 2.230 177.996 175.900 -0.223 0.000 1.154 361 Y CA 1.492 59.422 58.100 -0.284 0.000 1.149 361 Y CB -0.467 37.895 38.460 -0.163 0.000 0.976 361 Y HN 0.155 nan 8.280 nan 0.000 0.505 362 L N 0.796 121.842 121.223 -0.295 0.000 2.012 362 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 362 L C 2.426 179.181 176.870 -0.192 0.000 1.073 362 L CA 2.345 56.980 54.840 -0.341 0.000 0.748 362 L CB -1.421 40.405 42.059 -0.389 0.000 0.891 362 L HN 0.255 nan 8.230 nan 0.000 0.431 363 A N -1.048 121.735 122.820 -0.062 0.000 1.902 363 A HA -0.283 4.036 4.320 -0.001 0.000 0.217 363 A C 2.341 179.929 177.584 0.007 0.000 1.181 363 A CA 1.753 53.858 52.037 0.114 0.000 0.623 363 A CB -0.782 18.348 19.000 0.216 0.000 0.818 363 A HN 0.694 nan 8.150 nan 0.000 0.443 364 Q N -1.061 118.645 119.800 -0.157 0.000 2.124 364 Q HA -0.238 4.101 4.340 -0.001 0.000 0.202 364 Q C 1.983 177.937 176.000 -0.078 0.000 0.977 364 Q CA 1.655 57.407 55.803 -0.085 0.000 0.850 364 Q CB -0.116 28.533 28.738 -0.149 0.000 0.901 364 Q HN 0.642 nan 8.270 nan 0.000 0.429 365 Q N 0.091 119.784 119.800 -0.178 0.000 2.187 365 Q HA -0.031 4.308 4.340 -0.001 0.000 0.199 365 Q C 2.155 178.259 176.000 0.174 0.000 0.957 365 Q CA 0.729 56.483 55.803 -0.081 0.000 0.857 365 Q CB -0.064 28.539 28.738 -0.225 0.000 0.929 365 Q HN 0.503 nan 8.270 nan 0.000 0.453 366 I N 0.441 121.110 120.570 0.165 0.000 2.163 366 I HA -0.288 3.881 4.170 -0.001 0.000 0.243 366 I C 2.512 178.837 176.117 0.348 0.000 1.085 366 I CA 1.263 62.771 61.300 0.348 0.000 1.347 366 I CB -0.322 37.878 38.000 0.332 0.000 1.044 366 I HN 0.132 nan 8.210 nan 0.000 0.408 367 S N -0.372 115.430 115.700 0.171 0.000 2.382 367 S HA -0.291 4.178 4.470 -0.001 0.000 0.228 367 S C 2.107 176.786 174.600 0.132 0.000 1.027 367 S CA 1.716 59.980 58.200 0.107 0.000 0.991 367 S CB -0.368 62.846 63.200 0.024 0.000 0.823 367 S HN 0.554 nan 8.310 nan 0.000 0.469 368 H N -0.510 118.535 119.070 -0.042 0.000 2.357 368 H HA 0.084 4.639 4.556 -0.001 0.000 0.301 368 H C 1.254 176.460 175.328 -0.204 0.000 1.082 368 H CA 2.048 57.964 56.048 -0.220 0.000 1.342 368 H CB -0.283 29.193 29.762 -0.477 0.000 1.389 368 H HN 0.492 nan 8.280 nan 0.000 0.511 369 F N 0.099 120.123 119.950 0.123 0.000 2.714 369 F HA 0.414 4.940 4.527 -0.002 0.000 0.294 369 F C 1.601 177.556 175.800 0.258 0.000 1.120 369 F CA 0.368 58.455 58.000 0.145 0.000 1.398 369 F CB -0.375 38.767 39.000 0.238 0.000 1.120 369 F HN 0.178 nan 8.300 nan 0.000 0.589 370 A N 0.853 123.902 122.820 0.380 0.000 2.406 370 A HA 0.570 4.889 4.320 -0.001 0.000 0.243 370 A C 0.702 178.252 177.584 -0.055 0.000 1.082 370 A CA -0.106 51.910 52.037 -0.035 0.000 0.786 370 A CB -0.236 18.819 19.000 0.092 0.000 1.029 370 A HN 0.248 nan 8.150 nan 0.000 0.495 371 A N 0.399 123.094 122.820 -0.209 0.000 2.492 371 A HA 0.283 4.602 4.320 -0.001 0.000 0.236 371 A C 1.130 178.670 177.584 -0.072 0.000 1.078 371 A CA 0.508 52.467 52.037 -0.130 0.000 0.773 371 A CB 0.054 18.948 19.000 -0.176 0.000 1.023 371 A HN 0.980 nan 8.150 nan 0.000 0.504 372 D N 0.085 120.454 120.400 -0.052 0.000 2.378 372 D HA -0.092 4.547 4.640 -0.001 0.000 0.227 372 D C 0.023 176.292 176.300 -0.052 0.000 1.012 372 D CA 1.131 55.111 54.000 -0.034 0.000 0.905 372 D CB 0.055 40.836 40.800 -0.031 0.000 0.895 372 D HN 0.543 nan 8.370 nan 0.000 0.532 373 D N -0.797 119.554 120.400 -0.082 0.000 2.760 373 D HA 0.238 4.877 4.640 -0.001 0.000 0.314 373 D C 0.146 176.353 176.300 -0.155 0.000 1.464 373 D CA -0.573 53.370 54.000 -0.096 0.000 0.797 373 D CB -0.494 40.255 40.800 -0.086 0.000 1.149 373 D HN 0.156 nan 8.370 nan 0.000 0.455 374 A N 0.565 123.245 122.820 -0.234 0.000 2.466 374 A HA 0.449 4.768 4.320 -0.001 0.000 0.238 374 A C 0.246 177.530 177.584 -0.500 0.000 1.074 374 A CA -0.077 51.676 52.037 -0.474 0.000 0.774 374 A CB 0.191 18.699 19.000 -0.821 0.000 1.015 374 A HN 0.394 nan 8.150 nan 0.000 0.498 375 I N 1.523 121.804 120.570 -0.482 0.000 2.321 375 I HA 0.316 4.485 4.170 -0.001 0.000 0.291 375 I C -1.016 174.852 176.117 -0.416 0.000 0.998 375 I CA 0.038 61.149 61.300 -0.314 0.000 1.227 375 I CB 0.831 38.734 38.000 -0.162 0.000 1.368 375 I HN 0.487 nan 8.210 nan 0.000 0.466 376 F N 3.792 123.737 119.950 -0.009 0.000 2.443 376 F HA 0.530 5.056 4.527 -0.001 0.000 0.335 376 F C 0.746 176.555 175.800 0.015 0.000 1.104 376 F CA -0.630 57.380 58.000 0.016 0.000 1.013 376 F CB 1.923 40.950 39.000 0.045 0.000 1.136 376 F HN 0.349 nan 8.300 nan 0.000 0.470 377 T N -0.554 114.108 114.554 0.180 0.000 2.908 377 T HA 0.743 5.093 4.350 -0.001 0.000 0.290 377 T C -0.848 173.899 174.700 0.078 0.000 1.034 377 T CA -0.895 61.248 62.100 0.073 0.000 1.010 377 T CB 1.397 70.256 68.868 -0.016 0.000 1.068 377 T HN 0.922 nan 8.240 nan 0.000 0.481 378 C N 1.093 120.394 119.300 0.001 0.000 2.608 378 C HA 0.698 5.157 4.460 -0.001 0.000 0.325 378 C C -0.508 174.419 174.990 -0.106 0.000 1.147 378 C CA -1.031 57.978 59.018 -0.016 0.000 1.359 378 C CB 0.651 28.415 27.740 0.040 0.000 1.912 378 C HN 0.901 nan 8.230 nan 0.000 0.466 379 D N 1.795 122.123 120.400 -0.120 0.000 2.414 379 D HA 0.246 4.885 4.640 -0.001 0.000 0.242 379 D C 0.358 176.555 176.300 -0.172 0.000 1.129 379 D CA 0.255 54.163 54.000 -0.153 0.000 0.885 379 D CB 1.632 42.361 40.800 -0.119 0.000 1.198 379 D HN 0.565 nan 8.370 nan 0.000 0.437 380 V N 2.193 121.999 119.914 -0.180 0.000 2.540 380 V HA 0.444 4.563 4.120 -0.001 0.000 0.297 380 V C 1.218 177.172 176.094 -0.234 0.000 1.024 380 V CA 1.282 63.460 62.300 -0.203 0.000 1.105 380 V CB 0.228 31.951 31.823 -0.165 0.000 0.938 380 V HN 0.869 nan 8.190 nan 0.000 0.482 381 G N 4.014 112.577 108.800 -0.395 0.000 2.293 381 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.282 381 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.282 381 G C 0.622 175.278 174.900 -0.406 0.000 1.299 381 G CA 0.334 45.238 45.100 -0.327 0.000 1.018 381 G HN 1.058 nan 8.290 nan 0.000 0.478 382 T N -1.392 113.037 114.554 -0.209 0.000 2.803 382 T HA -0.024 4.325 4.350 -0.001 0.000 0.269 382 T C 0.095 174.343 174.700 -0.753 0.000 1.052 382 T CA 2.422 64.255 62.100 -0.445 0.000 1.136 382 T CB -1.019 67.778 68.868 -0.118 0.000 0.864 382 T HN 0.324 nan 8.240 nan 0.000 0.467 383 P HA -0.001 nan 4.420 nan 0.000 0.220 383 P C 1.594 178.690 177.300 -0.341 0.000 1.148 383 P CA 1.088 63.872 63.100 -0.527 0.000 0.803 383 P CB -0.372 31.063 31.700 -0.443 0.000 0.782 384 T N -0.874 113.495 114.554 -0.307 0.000 2.777 384 T HA -0.090 4.259 4.350 -0.001 0.000 0.266 384 T C 1.797 176.351 174.700 -0.243 0.000 1.040 384 T CA 1.213 63.211 62.100 -0.171 0.000 1.141 384 T CB -0.943 67.839 68.868 -0.143 0.000 0.868 384 T HN -0.102 nan 8.240 nan 0.000 0.444 385 V N 0.142 119.785 119.914 -0.452 0.000 2.287 385 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 385 V C 2.105 178.090 176.094 -0.181 0.000 1.053 385 V CA 1.567 63.597 62.300 -0.449 0.000 1.027 385 V CB -0.892 30.438 31.823 -0.821 0.000 0.646 385 V HN 0.655 nan 8.190 nan 0.000 0.447 386 W N -0.052 121.268 121.300 0.033 0.000 2.418 386 W HA 0.056 4.715 4.660 -0.001 0.000 0.292 386 W C 2.643 179.246 176.519 0.139 0.000 1.213 386 W CA 0.440 57.882 57.345 0.163 0.000 1.283 386 W CB -0.447 29.052 29.460 0.065 0.000 1.119 386 W HN 0.177 nan 8.180 nan 0.000 0.542 387 A N 1.190 124.120 122.820 0.183 0.000 1.858 387 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 387 A C 2.104 179.724 177.584 0.060 0.000 1.190 387 A CA 2.409 54.498 52.037 0.088 0.000 0.617 387 A CB -1.342 17.688 19.000 0.050 0.000 0.827 387 A HN 0.207 nan 8.150 nan 0.000 0.443 388 A N -0.385 122.451 122.820 0.026 0.000 1.917 388 A HA -0.217 4.102 4.320 -0.001 0.000 0.219 388 A C 2.267 179.893 177.584 0.070 0.000 1.182 388 A CA 1.858 53.906 52.037 0.018 0.000 0.633 388 A CB -0.412 18.569 19.000 -0.032 0.000 0.819 388 A HN 0.571 nan 8.150 nan 0.000 0.448 389 R N -3.314 117.206 120.500 0.032 0.000 2.223 389 R HA 0.124 4.463 4.340 -0.001 0.000 0.198 389 R C 0.892 176.877 176.300 -0.525 0.000 0.984 389 R CA 0.932 56.885 56.100 -0.245 0.000 1.018 389 R CB 0.045 30.122 30.300 -0.371 0.000 0.945 389 R HN 0.673 nan 8.270 nan 0.000 0.479 390 Y N -0.583 119.760 120.300 0.072 0.000 2.423 390 Y HA 0.276 4.825 4.550 -0.002 0.000 0.257 390 Y C 0.351 176.238 175.900 -0.022 0.000 1.087 390 Y CA -0.443 57.673 58.100 0.027 0.000 1.258 390 Y CB 0.771 39.262 38.460 0.051 0.000 1.237 390 Y HN -0.182 nan 8.280 nan 0.000 0.517 391 L N 2.418 123.666 121.223 0.041 0.000 2.361 391 L HA 0.150 4.489 4.340 -0.001 0.000 0.278 391 L C 0.267 177.099 176.870 -0.063 0.000 1.113 391 L CA -0.067 54.699 54.840 -0.123 0.000 0.849 391 L CB 0.761 42.632 42.059 -0.313 0.000 1.155 391 L HN 0.021 nan 8.230 nan 0.000 0.452 392 K N 4.619 124.995 120.400 -0.040 0.000 2.276 392 K HA 0.341 4.660 4.320 -0.001 0.000 0.285 392 K C -0.436 176.170 176.600 0.011 0.000 1.062 392 K CA -0.664 55.631 56.287 0.014 0.000 0.918 392 K CB 0.677 33.202 32.500 0.042 0.000 1.055 392 K HN 0.401 nan 8.250 nan 0.000 0.477 393 M N 2.893 122.510 119.600 0.028 0.000 2.471 393 M HA 0.197 4.676 4.480 -0.001 0.000 0.309 393 M C 0.429 176.709 176.300 -0.034 0.000 1.186 393 M CA -0.507 54.794 55.300 0.002 0.000 1.008 393 M CB 0.982 33.594 32.600 0.020 0.000 1.551 393 M HN 0.788 nan 8.290 nan 0.000 0.477 394 N N -1.325 117.219 118.700 -0.259 0.000 2.036 394 N HA 0.195 4.934 4.740 -0.001 0.000 0.224 394 N C 0.635 175.569 175.510 -0.960 0.000 1.381 394 N CA 0.485 53.292 53.050 -0.406 0.000 0.746 394 N CB 0.112 38.501 38.487 -0.163 0.000 1.213 394 N HN 0.928 nan 8.380 nan 0.000 0.524 395 G N 0.519 108.502 108.800 -1.361 0.000 2.195 395 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.246 395 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.246 395 G C 0.788 175.436 174.900 -0.420 0.000 0.984 395 G CA 0.795 45.207 45.100 -1.146 0.000 0.633 395 G HN 0.475 nan 8.290 nan 0.000 0.525 396 K N -0.497 119.719 120.400 -0.308 0.000 2.380 396 K HA 0.278 4.597 4.320 -0.001 0.000 0.200 396 K C 1.421 177.955 176.600 -0.111 0.000 1.201 396 K CA -0.356 55.836 56.287 -0.159 0.000 0.916 396 K CB 0.401 32.827 32.500 -0.124 0.000 1.187 396 K HN 0.260 nan 8.250 nan 0.000 0.498 397 R N 1.473 121.919 120.500 -0.091 0.000 2.811 397 R HA 0.124 4.463 4.340 -0.001 0.000 0.265 397 R C -0.105 176.198 176.300 0.005 0.000 1.026 397 R CA 0.382 56.483 56.100 0.001 0.000 1.142 397 R CB 0.381 30.765 30.300 0.141 0.000 1.027 397 R HN -0.034 nan 8.270 nan 0.000 0.465 398 R N 1.175 121.713 120.500 0.064 0.000 2.795 398 R HA 0.457 4.796 4.340 -0.001 0.000 0.275 398 R C -1.348 175.054 176.300 0.171 0.000 0.981 398 R CA -1.231 54.904 56.100 0.058 0.000 0.917 398 R CB 1.599 31.909 30.300 0.016 0.000 1.202 398 R HN 0.300 nan 8.270 nan 0.000 0.469 399 L N 2.837 124.143 121.223 0.137 0.000 2.404 399 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 399 L C -1.467 175.524 176.870 0.202 0.000 0.980 399 L CA -0.294 54.673 54.840 0.212 0.000 0.836 399 L CB 1.321 43.497 42.059 0.196 0.000 1.238 399 L HN 0.459 nan 8.230 nan 0.000 0.408 400 L N 4.617 125.920 121.223 0.133 0.000 2.342 400 L HA 1.012 5.351 4.340 -0.001 0.000 0.271 400 L C 0.353 177.082 176.870 -0.235 0.000 1.008 400 L CA -0.549 54.289 54.840 -0.004 0.000 0.818 400 L CB 1.766 43.801 42.059 -0.040 0.000 1.296 400 L HN 0.764 nan 8.230 nan 0.000 0.427 401 G N -0.118 108.251 108.800 -0.719 0.000 2.706 401 G HA2 0.312 4.271 3.960 -0.001 0.000 0.307 401 G HA3 0.312 4.271 3.960 -0.001 0.000 0.307 401 G C -1.411 172.957 174.900 -0.887 0.000 1.307 401 G CA -0.267 44.157 45.100 -1.127 0.000 0.790 401 G HN 0.350 nan 8.290 nan 0.000 0.503 402 S N 0.067 115.357 115.700 -0.683 0.000 2.514 402 S HA 0.414 4.883 4.470 -0.001 0.000 0.179 402 S C 0.379 174.887 174.600 -0.153 0.000 1.409 402 S CA -0.666 57.380 58.200 -0.256 0.000 1.138 402 S CB -0.677 62.501 63.200 -0.036 0.000 1.217 402 S HN 0.369 nan 8.310 nan 0.000 0.493 403 F N 1.305 121.267 119.950 0.021 0.000 2.367 403 F HA 0.183 4.710 4.527 -0.001 0.000 0.298 403 F C 2.117 177.920 175.800 0.005 0.000 1.094 403 F CA 0.282 58.282 58.000 -0.000 0.000 1.409 403 F CB -0.296 38.711 39.000 0.011 0.000 1.064 403 F HN 0.412 nan 8.300 nan 0.000 0.528 404 N N -1.309 117.496 118.700 0.176 0.000 2.428 404 N HA -0.091 4.648 4.740 -0.001 0.000 0.181 404 N C 1.775 177.369 175.510 0.139 0.000 1.028 404 N CA 0.884 54.003 53.050 0.115 0.000 0.877 404 N CB -0.571 37.956 38.487 0.067 0.000 1.064 404 N HN 0.219 nan 8.380 nan 0.000 0.434 405 H N 0.131 119.232 119.070 0.050 0.000 2.470 405 H HA 0.163 4.718 4.556 -0.001 0.000 0.289 405 H C 0.614 175.965 175.328 0.038 0.000 1.033 405 H CA 1.260 57.345 56.048 0.061 0.000 1.331 405 H CB -0.346 29.471 29.762 0.091 0.000 1.414 405 H HN 0.307 nan 8.280 nan 0.000 0.545 406 G N 0.554 109.341 108.800 -0.023 0.000 2.225 406 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.264 406 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.264 406 G C 0.062 174.871 174.900 -0.153 0.000 1.060 406 G CA 0.663 45.711 45.100 -0.086 0.000 0.833 406 G HN 0.669 nan 8.290 nan 0.000 0.498 407 S N -0.320 115.323 115.700 -0.095 0.000 2.499 407 S HA 0.676 5.146 4.470 -0.001 0.000 0.279 407 S C 1.215 175.783 174.600 -0.054 0.000 1.219 407 S CA -0.541 57.631 58.200 -0.046 0.000 1.062 407 S CB 0.356 63.679 63.200 0.206 0.000 0.978 407 S HN 0.390 nan 8.310 nan 0.000 0.489 408 M N 3.791 123.350 119.600 -0.068 0.000 2.243 408 M HA 0.146 4.625 4.480 -0.001 0.000 0.309 408 M C 1.279 177.502 176.300 -0.129 0.000 1.050 408 M CA 1.250 56.497 55.300 -0.088 0.000 1.139 408 M CB 0.015 32.581 32.600 -0.057 0.000 1.457 408 M HN 1.111 nan 8.290 nan 0.000 0.440 409 A N 0.892 123.607 122.820 -0.175 0.000 3.028 409 A HA -0.176 4.143 4.320 -0.001 0.000 0.248 409 A C 1.050 178.362 177.584 -0.453 0.000 1.316 409 A CA 1.116 53.014 52.037 -0.232 0.000 1.003 409 A CB -2.545 16.350 19.000 -0.175 0.000 1.148 409 A HN 1.022 nan 8.150 nan 0.000 0.828 410 N N 0.078 118.444 118.700 -0.556 0.000 2.376 410 N HA 0.146 4.885 4.740 -0.001 0.000 0.177 410 N C 1.683 176.853 175.510 -0.566 0.000 1.024 410 N CA 1.388 53.872 53.050 -0.943 0.000 0.893 410 N CB -0.605 37.478 38.487 -0.673 0.000 0.980 410 N HN 1.099 nan 8.380 nan 0.000 0.439 411 A N 2.279 124.908 122.820 -0.320 0.000 1.858 411 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 411 A C 2.393 179.903 177.584 -0.124 0.000 1.190 411 A CA 1.676 53.606 52.037 -0.179 0.000 0.617 411 A CB -0.704 18.243 19.000 -0.088 0.000 0.827 411 A HN 0.414 nan 8.150 nan 0.000 0.443 412 M N -0.217 119.334 119.600 -0.082 0.000 2.132 412 M HA -0.038 4.441 4.480 -0.001 0.000 0.263 412 M C -1.055 175.207 176.300 -0.063 0.000 1.065 412 M CA 1.898 57.198 55.300 -0.000 0.000 1.122 412 M CB -0.857 31.809 32.600 0.109 0.000 1.365 412 M HN 0.137 nan 8.290 nan 0.000 0.411 413 P HA -0.144 nan 4.420 nan 0.000 0.215 413 P C 1.079 178.279 177.300 -0.167 0.000 1.153 413 P CA 1.492 64.498 63.100 -0.157 0.000 0.853 413 P CB -0.147 31.418 31.700 -0.225 0.000 0.788 414 Q N -0.863 118.817 119.800 -0.200 0.000 2.124 414 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 414 Q C 2.206 178.139 176.000 -0.113 0.000 0.977 414 Q CA 1.510 57.222 55.803 -0.151 0.000 0.850 414 Q CB -0.666 27.984 28.738 -0.147 0.000 0.901 414 Q HN 0.172 nan 8.270 nan 0.000 0.429 415 A N 0.645 123.418 122.820 -0.077 0.000 1.933 415 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 415 A C 1.988 179.563 177.584 -0.015 0.000 1.175 415 A CA 0.988 53.006 52.037 -0.032 0.000 0.628 415 A CB -0.511 18.492 19.000 0.006 0.000 0.814 415 A HN 0.278 nan 8.150 nan 0.000 0.444 416 L N -0.038 121.174 121.223 -0.019 0.000 2.012 416 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 416 L C 2.583 179.472 176.870 0.032 0.000 1.073 416 L CA 2.176 57.034 54.840 0.030 0.000 0.748 416 L CB -1.156 40.915 42.059 0.021 0.000 0.891 416 L HN 0.367 nan 8.230 nan 0.000 0.431 417 G N -1.825 106.865 108.800 -0.184 0.000 2.402 417 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 417 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 417 G C 1.631 176.530 174.900 -0.001 0.000 1.162 417 G CA 0.763 45.716 45.100 -0.244 0.000 0.777 417 G HN 0.570 nan 8.290 nan 0.000 0.539 418 A N 0.375 123.177 122.820 -0.030 0.000 1.877 418 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 418 A C 2.320 179.917 177.584 0.022 0.000 1.186 418 A CA 2.292 54.325 52.037 -0.008 0.000 0.620 418 A CB -0.538 18.442 19.000 -0.033 0.000 0.822 418 A HN 0.398 nan 8.150 nan 0.000 0.443 419 Q N -0.257 119.560 119.800 0.030 0.000 2.124 419 Q HA -0.030 4.309 4.340 -0.001 0.000 0.202 419 Q C 1.999 178.038 176.000 0.065 0.000 0.977 419 Q CA 2.098 57.921 55.803 0.033 0.000 0.850 419 Q CB -0.572 28.187 28.738 0.035 0.000 0.901 419 Q HN 0.573 nan 8.270 nan 0.000 0.429 420 A N -1.075 121.827 122.820 0.137 0.000 1.969 420 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 420 A C 2.185 179.835 177.584 0.109 0.000 1.169 420 A CA 1.750 53.874 52.037 0.145 0.000 0.635 420 A CB -0.681 18.484 19.000 0.276 0.000 0.810 420 A HN 0.467 nan 8.150 nan 0.000 0.445 421 T N 0.050 114.677 114.554 0.122 0.000 2.896 421 T HA -0.002 4.347 4.350 -0.001 0.000 0.263 421 T C 0.478 175.201 174.700 0.038 0.000 1.050 421 T CA 0.990 63.141 62.100 0.084 0.000 1.140 421 T CB -0.015 68.902 68.868 0.081 0.000 0.877 421 T HN 0.412 nan 8.240 nan 0.000 0.457 422 E N 1.306 121.521 120.200 0.024 0.000 2.916 422 E HA 0.180 4.530 4.350 -0.001 0.000 0.217 422 E C -2.032 174.564 176.600 -0.007 0.000 1.100 422 E CA -1.793 54.606 56.400 -0.001 0.000 0.891 422 E CB 1.383 31.072 29.700 -0.017 0.000 1.311 422 E HN 0.279 nan 8.360 nan 0.000 0.421 423 P HA -0.131 nan 4.420 nan 0.000 0.221 423 P C 0.743 178.034 177.300 -0.016 0.000 1.145 423 P CA 1.049 64.146 63.100 -0.004 0.000 0.795 423 P CB 0.564 32.262 31.700 -0.003 0.000 0.775 424 E N -0.775 119.412 120.200 -0.021 0.000 2.489 424 E HA 0.033 4.382 4.350 -0.001 0.000 0.193 424 E C 0.883 177.457 176.600 -0.043 0.000 1.057 424 E CA 0.080 56.464 56.400 -0.028 0.000 0.866 424 E CB 0.034 29.719 29.700 -0.025 0.000 0.916 424 E HN 0.214 nan 8.360 nan 0.000 0.500 425 R N 1.233 121.701 120.500 -0.052 0.000 2.486 425 R HA 0.134 4.473 4.340 -0.001 0.000 0.286 425 R C -0.096 176.139 176.300 -0.108 0.000 0.999 425 R CA -0.361 55.691 56.100 -0.081 0.000 0.993 425 R CB 0.911 31.164 30.300 -0.078 0.000 1.084 425 R HN -0.115 nan 8.270 nan 0.000 0.487 426 Q N 2.529 122.234 119.800 -0.159 0.000 2.304 426 Q HA 0.301 4.640 4.340 -0.001 0.000 0.260 426 Q C -1.244 174.598 176.000 -0.264 0.000 0.965 426 Q CA -0.342 55.331 55.803 -0.216 0.000 0.898 426 Q CB 0.943 29.498 28.738 -0.306 0.000 1.196 426 Q HN 0.389 nan 8.270 nan 0.000 0.402 427 V N 4.801 124.590 119.914 -0.209 0.000 2.487 427 V HA 0.392 4.511 4.120 -0.001 0.000 0.298 427 V C -0.689 175.310 176.094 -0.159 0.000 1.028 427 V CA -0.770 61.412 62.300 -0.196 0.000 0.860 427 V CB 1.913 33.678 31.823 -0.095 0.000 0.991 427 V HN 0.596 nan 8.190 nan 0.000 0.427 428 V N 3.999 123.799 119.914 -0.191 0.000 2.376 428 V HA 0.694 4.813 4.120 -0.001 0.000 0.287 428 V C 0.374 176.535 176.094 0.112 0.000 1.015 428 V CA -0.603 61.690 62.300 -0.011 0.000 0.834 428 V CB 1.686 33.517 31.823 0.013 0.000 1.001 428 V HN 0.964 nan 8.190 nan 0.000 0.428 429 A N 6.680 129.576 122.820 0.126 0.000 2.279 429 A HA 0.734 5.053 4.320 -0.001 0.000 0.306 429 A C -0.031 177.657 177.584 0.172 0.000 1.300 429 A CA -0.402 51.709 52.037 0.124 0.000 0.925 429 A CB 0.141 19.196 19.000 0.091 0.000 1.152 429 A HN 0.848 nan 8.150 nan 0.000 0.544 430 M N 3.140 122.854 119.600 0.191 0.000 2.261 430 M HA 0.205 4.684 4.480 -0.001 0.000 0.349 430 M C -0.905 175.461 176.300 0.111 0.000 1.305 430 M CA 0.044 55.488 55.300 0.239 0.000 1.240 430 M CB 0.081 32.801 32.600 0.200 0.000 1.394 430 M HN 0.630 nan 8.290 nan 0.000 0.438 431 C N 1.918 121.310 119.300 0.153 0.000 2.391 431 C HA 0.820 5.279 4.460 -0.001 0.000 0.339 431 C C 1.145 176.180 174.990 0.075 0.000 1.205 431 C CA -0.914 58.139 59.018 0.058 0.000 1.937 431 C CB 1.156 28.911 27.740 0.024 0.000 2.341 431 C HN 0.957 nan 8.230 nan 0.000 0.516 432 G N 1.201 110.010 108.800 0.015 0.000 2.504 432 G HA2 0.338 4.297 3.960 -0.001 0.000 0.288 432 G HA3 0.338 4.297 3.960 -0.001 0.000 0.288 432 G C 0.649 175.544 174.900 -0.007 0.000 1.182 432 G CA -0.081 45.042 45.100 0.038 0.000 0.894 432 G HN 0.837 nan 8.290 nan 0.000 0.521 433 D N 0.082 120.491 120.400 0.014 0.000 2.149 433 D HA -0.078 4.561 4.640 -0.001 0.000 0.201 433 D C 2.154 178.508 176.300 0.089 0.000 0.972 433 D CA 1.184 55.168 54.000 -0.027 0.000 0.835 433 D CB -0.801 40.121 40.800 0.204 0.000 0.966 433 D HN 0.472 nan 8.370 nan 0.000 0.476 434 G N 0.851 109.706 108.800 0.092 0.000 2.404 434 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.215 434 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.215 434 G C 1.761 176.681 174.900 0.032 0.000 1.174 434 G CA 1.068 46.215 45.100 0.078 0.000 0.780 434 G HN 0.466 nan 8.290 nan 0.000 0.537 435 G N 0.402 109.205 108.800 0.005 0.000 2.421 435 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 435 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 435 G C 1.655 176.533 174.900 -0.037 0.000 1.171 435 G CA 0.980 46.058 45.100 -0.037 0.000 0.775 435 G HN 0.340 nan 8.290 nan 0.000 0.543 436 F N 2.780 122.623 119.950 -0.178 0.000 2.102 436 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 436 F C 2.993 178.711 175.800 -0.137 0.000 1.105 436 F CA 2.046 59.914 58.000 -0.221 0.000 1.239 436 F CB -0.262 38.480 39.000 -0.431 0.000 0.991 436 F HN 0.257 nan 8.300 nan 0.000 0.474 437 S N -0.157 115.525 115.700 -0.030 0.000 2.461 437 S HA -0.201 4.268 4.470 -0.001 0.000 0.228 437 S C 2.119 176.676 174.600 -0.072 0.000 1.005 437 S CA 0.834 59.028 58.200 -0.011 0.000 0.942 437 S CB -0.850 62.496 63.200 0.242 0.000 0.776 437 S HN 0.626 nan 8.310 nan 0.000 0.514 438 M N 0.641 120.197 119.600 -0.073 0.000 2.159 438 M HA 0.161 4.640 4.480 -0.001 0.000 0.263 438 M C 0.601 176.825 176.300 -0.127 0.000 1.063 438 M CA 1.531 56.785 55.300 -0.075 0.000 1.110 438 M CB -0.048 32.513 32.600 -0.065 0.000 1.374 438 M HN 0.314 nan 8.290 nan 0.000 0.411 439 L N -0.146 120.965 121.223 -0.186 0.000 3.209 439 L HA 0.212 4.551 4.340 -0.001 0.000 0.279 439 L C 1.229 177.958 176.870 -0.235 0.000 1.301 439 L CA -0.350 54.372 54.840 -0.196 0.000 1.004 439 L CB 0.190 42.132 42.059 -0.195 0.000 1.402 439 L HN 0.360 nan 8.230 nan 0.000 0.577 440 M N -0.082 119.349 119.600 -0.283 0.000 2.346 440 M HA -0.119 4.360 4.480 -0.001 0.000 0.263 440 M C 1.993 178.201 176.300 -0.153 0.000 1.064 440 M CA 1.952 57.002 55.300 -0.416 0.000 1.083 440 M CB 0.005 32.424 32.600 -0.302 0.000 1.399 440 M HN 0.495 nan 8.290 nan 0.000 0.435 441 G N -0.396 108.376 108.800 -0.047 0.000 2.432 441 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.219 441 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.219 441 G C 1.090 176.030 174.900 0.067 0.000 1.135 441 G CA 0.929 46.053 45.100 0.041 0.000 0.767 441 G HN 0.473 nan 8.290 nan 0.000 0.550 442 D N -0.440 119.985 120.400 0.041 0.000 2.363 442 D HA -0.008 4.632 4.640 -0.001 0.000 0.226 442 D C 1.628 177.998 176.300 0.116 0.000 1.020 442 D CA -0.186 53.857 54.000 0.070 0.000 0.892 442 D CB 0.025 40.859 40.800 0.057 0.000 0.900 442 D HN 0.249 nan 8.370 nan 0.000 0.531 443 F N 1.641 121.560 119.950 -0.052 0.000 2.161 443 F HA -0.164 4.363 4.527 -0.001 0.000 0.300 443 F C 1.980 177.822 175.800 0.071 0.000 1.089 443 F CA 1.013 59.036 58.000 0.039 0.000 1.282 443 F CB -0.358 38.683 39.000 0.068 0.000 1.010 443 F HN -0.083 nan 8.300 nan 0.000 0.485 444 L N -0.941 120.297 121.223 0.024 0.000 2.265 444 L HA -0.211 4.128 4.340 -0.001 0.000 0.215 444 L C 2.390 179.225 176.870 -0.059 0.000 1.117 444 L CA 1.133 55.938 54.840 -0.058 0.000 0.782 444 L CB -0.854 41.221 42.059 0.027 0.000 0.914 444 L HN 0.055 nan 8.230 nan 0.000 0.441 445 S N -0.637 115.059 115.700 -0.007 0.000 2.406 445 S HA -0.102 4.368 4.470 -0.001 0.000 0.228 445 S C 2.065 176.660 174.600 -0.010 0.000 1.020 445 S CA 0.731 58.943 58.200 0.020 0.000 0.965 445 S CB -0.013 63.233 63.200 0.077 0.000 0.798 445 S HN 0.167 nan 8.310 nan 0.000 0.488 446 V N 1.470 121.349 119.914 -0.059 0.000 2.332 446 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 446 V C 2.253 178.282 176.094 -0.109 0.000 1.055 446 V CA 1.526 63.779 62.300 -0.078 0.000 1.038 446 V CB -0.701 31.043 31.823 -0.131 0.000 0.651 446 V HN 0.342 nan 8.190 nan 0.000 0.450 447 V N -0.577 119.234 119.914 -0.173 0.000 2.255 447 V HA -0.303 3.816 4.120 -0.001 0.000 0.243 447 V C 2.381 178.439 176.094 -0.059 0.000 1.038 447 V CA 2.298 64.525 62.300 -0.121 0.000 1.008 447 V CB -0.691 31.049 31.823 -0.139 0.000 0.645 447 V HN 0.570 nan 8.190 nan 0.000 0.449 448 Q N -0.630 119.144 119.800 -0.044 0.000 2.135 448 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 448 Q C 2.055 178.049 176.000 -0.011 0.000 0.981 448 Q CA 1.981 57.775 55.803 -0.015 0.000 0.856 448 Q CB -0.089 28.651 28.738 0.003 0.000 0.902 448 Q HN 0.582 nan 8.270 nan 0.000 0.425 449 M N -0.157 119.437 119.600 -0.009 0.000 2.502 449 M HA 0.066 4.546 4.480 -0.001 0.000 0.243 449 M C -0.402 175.892 176.300 -0.009 0.000 1.130 449 M CA 0.339 55.634 55.300 -0.009 0.000 1.055 449 M CB 0.662 33.267 32.600 0.008 0.000 1.457 449 M HN -0.029 nan 8.290 nan 0.000 0.488 450 K N 1.333 121.725 120.400 -0.014 0.000 3.150 450 K HA -0.161 4.158 4.320 -0.001 0.000 0.267 450 K C -1.091 175.508 176.600 -0.003 0.000 1.028 450 K CA 0.515 56.794 56.287 -0.013 0.000 0.753 450 K CB -2.506 29.987 32.500 -0.012 0.000 1.288 450 K HN 0.412 nan 8.250 nan 0.000 0.473 451 L N 1.720 122.947 121.223 0.005 0.000 2.265 451 L HA 0.248 4.587 4.340 -0.001 0.000 0.289 451 L C -1.381 175.500 176.870 0.019 0.000 1.033 451 L CA -2.036 52.816 54.840 0.020 0.000 0.814 451 L CB 0.920 43.007 42.059 0.047 0.000 1.203 451 L HN -0.096 nan 8.230 nan 0.000 0.423 452 P HA 0.030 nan 4.420 nan 0.000 0.238 452 P C 0.103 177.424 177.300 0.035 0.000 1.714 452 P CA -0.043 63.071 63.100 0.023 0.000 0.908 452 P CB -0.159 31.550 31.700 0.014 0.000 1.893 453 V N 1.997 121.941 119.914 0.049 0.000 2.763 453 V HA -0.027 4.092 4.120 -0.001 0.000 0.306 453 V C 1.125 177.277 176.094 0.098 0.000 1.059 453 V CA 0.447 62.785 62.300 0.064 0.000 1.138 453 V CB 0.071 31.949 31.823 0.091 0.000 0.940 453 V HN 0.191 nan 8.190 nan 0.000 0.489 454 K N 5.568 126.030 120.400 0.103 0.000 2.292 454 K HA 0.515 4.834 4.320 -0.001 0.000 0.270 454 K C -0.687 176.012 176.600 0.165 0.000 1.062 454 K CA -0.174 56.216 56.287 0.172 0.000 0.916 454 K CB 1.200 33.875 32.500 0.292 0.000 1.166 454 K HN 0.488 nan 8.250 nan 0.000 0.458 455 I N 2.719 123.371 120.570 0.137 0.000 2.315 455 I HA 0.159 4.328 4.170 -0.001 0.000 0.291 455 I C -0.217 175.912 176.117 0.020 0.000 1.006 455 I CA -0.937 60.413 61.300 0.082 0.000 1.265 455 I CB 1.357 39.389 38.000 0.053 0.000 1.387 455 I HN 0.064 nan 8.210 nan 0.000 0.475 456 V N 7.643 127.590 119.914 0.055 0.000 2.350 456 V HA 0.283 4.402 4.120 -0.001 0.000 0.285 456 V C -0.005 176.094 176.094 0.009 0.000 1.014 456 V CA -0.709 61.597 62.300 0.011 0.000 0.831 456 V CB 1.661 33.536 31.823 0.087 0.000 1.000 456 V HN 0.360 nan 8.190 nan 0.000 0.433 457 V N 5.591 125.419 119.914 -0.144 0.000 2.406 457 V HA 0.358 4.477 4.120 -0.001 0.000 0.272 457 V C -0.142 175.929 176.094 -0.039 0.000 1.043 457 V CA -0.328 61.886 62.300 -0.143 0.000 0.915 457 V CB 1.016 32.580 31.823 -0.432 0.000 0.988 457 V HN 0.675 nan 8.190 nan 0.000 0.466 458 F N 4.086 124.011 119.950 -0.041 0.000 2.566 458 F HA 0.242 4.768 4.527 -0.001 0.000 0.349 458 F C 1.060 176.886 175.800 0.042 0.000 1.245 458 F CA -0.362 57.661 58.000 0.037 0.000 1.169 458 F CB -0.200 38.877 39.000 0.129 0.000 1.470 458 F HN 0.442 nan 8.300 nan 0.000 0.634 459 N N 3.216 121.983 118.700 0.112 0.000 2.663 459 N HA -0.025 4.714 4.740 -0.001 0.000 0.250 459 N C 0.405 176.000 175.510 0.141 0.000 1.129 459 N CA -0.057 53.081 53.050 0.145 0.000 0.995 459 N CB -0.122 38.458 38.487 0.154 0.000 1.324 459 N HN 0.416 nan 8.380 nan 0.000 0.512 460 N N 0.552 119.354 118.700 0.170 0.000 2.235 460 N HA -0.056 4.683 4.740 -0.001 0.000 0.209 460 N C -0.100 175.483 175.510 0.122 0.000 1.122 460 N CA 0.048 53.185 53.050 0.145 0.000 0.845 460 N CB -0.449 38.147 38.487 0.180 0.000 1.004 460 N HN 0.240 nan 8.380 nan 0.000 0.499 461 S N -2.140 113.643 115.700 0.138 0.000 3.486 461 S HA -0.210 4.259 4.470 -0.001 0.000 0.371 461 S C -0.019 174.644 174.600 0.105 0.000 1.001 461 S CA 0.612 58.885 58.200 0.122 0.000 1.164 461 S CB -2.449 60.790 63.200 0.065 0.000 0.911 461 S HN 0.495 nan 8.310 nan 0.000 0.472 462 V N -0.013 119.973 119.914 0.119 0.000 3.242 462 V HA 0.500 4.619 4.120 -0.001 0.000 0.298 462 V C -0.632 175.527 176.094 0.108 0.000 1.352 462 V CA -1.255 61.106 62.300 0.102 0.000 1.052 462 V CB 2.080 33.956 31.823 0.089 0.000 1.101 462 V HN 0.443 nan 8.190 nan 0.000 0.446 463 L N 4.331 125.608 121.223 0.090 0.000 2.423 463 L HA 0.344 4.683 4.340 -0.001 0.000 0.249 463 L C 1.663 178.588 176.870 0.091 0.000 1.276 463 L CA 0.580 55.472 54.840 0.086 0.000 1.199 463 L CB 0.281 42.381 42.059 0.069 0.000 1.407 463 L HN 0.913 nan 8.230 nan 0.000 0.410 464 G N 1.332 110.199 108.800 0.113 0.000 2.448 464 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 464 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 464 G C 0.497 175.459 174.900 0.103 0.000 1.135 464 G CA -0.106 45.062 45.100 0.113 0.000 0.784 464 G HN 0.374 nan 8.290 nan 0.000 0.543 465 F N 2.014 121.952 119.950 -0.019 0.000 2.444 465 F HA 0.497 5.023 4.527 -0.001 0.000 0.360 465 F C 0.778 176.553 175.800 -0.042 0.000 1.106 465 F CA -0.298 57.669 58.000 -0.056 0.000 1.170 465 F CB 0.042 38.983 39.000 -0.099 0.000 1.113 465 F HN 0.478 nan 8.300 nan 0.000 0.521 480 T N 1.947 116.517 114.554 0.027 0.000 2.991 480 T HA 0.574 4.923 4.350 -0.001 0.000 0.347 480 T C -0.846 173.882 174.700 0.046 0.000 1.122 480 T CA -0.216 61.905 62.100 0.034 0.000 1.062 480 T CB 0.633 69.520 68.868 0.032 0.000 1.043 480 T HN 0.301 nan 8.240 nan 0.000 0.491 481 E N 3.424 123.652 120.200 0.047 0.000 2.343 481 E HA 0.456 4.805 4.350 -0.001 0.000 0.269 481 E C -0.385 176.258 176.600 0.071 0.000 1.047 481 E CA -0.645 55.787 56.400 0.054 0.000 0.874 481 E CB 1.454 31.179 29.700 0.043 0.000 1.033 481 E HN 0.557 nan 8.360 nan 0.000 0.409 482 L N 2.142 123.416 121.223 0.084 0.000 2.317 482 L HA 0.241 4.580 4.340 -0.001 0.000 0.281 482 L C 0.456 177.393 176.870 0.111 0.000 1.024 482 L CA -0.924 53.984 54.840 0.113 0.000 0.810 482 L CB 1.094 43.237 42.059 0.141 0.000 1.240 482 L HN 0.538 nan 8.230 nan 0.000 0.427 483 H N 3.529 122.618 119.070 0.032 0.000 3.070 483 H HA -0.055 4.501 4.556 -0.001 0.000 0.313 483 H C -0.718 174.605 175.328 -0.008 0.000 0.997 483 H CA -0.154 55.899 56.048 0.008 0.000 1.438 483 H CB 0.694 30.454 29.762 -0.003 0.000 1.455 483 H HN 0.517 nan 8.280 nan 0.000 0.575 484 D N 4.706 124.888 120.400 -0.364 0.000 2.659 484 D HA -0.048 4.591 4.640 -0.001 0.000 0.264 484 D C -0.094 176.131 176.300 -0.125 0.000 1.329 484 D CA 0.777 54.639 54.000 -0.230 0.000 0.963 484 D CB 0.022 40.652 40.800 -0.283 0.000 1.136 484 D HN 0.393 nan 8.370 nan 0.000 0.554 485 T N 2.442 116.925 114.554 -0.120 0.000 2.855 485 T HA 0.225 4.574 4.350 -0.001 0.000 0.281 485 T C 0.414 174.873 174.700 -0.402 0.000 1.007 485 T CA -0.915 61.001 62.100 -0.307 0.000 1.009 485 T CB 1.338 69.829 68.868 -0.628 0.000 0.983 485 T HN 0.126 nan 8.240 nan 0.000 0.455 486 N N 2.148 120.642 118.700 -0.343 0.000 2.589 486 N HA 0.208 4.947 4.740 -0.001 0.000 0.232 486 N C 0.003 175.355 175.510 -0.264 0.000 1.015 486 N CA -0.592 52.322 53.050 -0.228 0.000 0.931 486 N CB 0.084 38.507 38.487 -0.105 0.000 1.150 486 N HN 0.433 nan 8.380 nan 0.000 0.512 487 F N 1.774 121.692 119.950 -0.054 0.000 2.325 487 F HA 0.077 4.603 4.527 -0.002 0.000 0.299 487 F C 2.284 178.015 175.800 -0.115 0.000 1.090 487 F CA 0.644 58.579 58.000 -0.108 0.000 1.392 487 F CB -0.244 38.605 39.000 -0.252 0.000 1.053 487 F HN 0.577 nan 8.300 nan 0.000 0.521 488 A N 0.162 123.019 122.820 0.062 0.000 1.902 488 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 488 A C 2.403 180.014 177.584 0.046 0.000 1.181 488 A CA 1.405 53.462 52.037 0.033 0.000 0.623 488 A CB -0.626 18.378 19.000 0.008 0.000 0.818 488 A HN 0.242 nan 8.150 nan 0.000 0.443 489 R N -0.659 119.855 120.500 0.023 0.000 2.081 489 R HA -0.062 4.277 4.340 -0.001 0.000 0.235 489 R C 1.998 178.334 176.300 0.061 0.000 1.131 489 R CA 1.551 57.667 56.100 0.027 0.000 0.960 489 R CB -0.401 29.897 30.300 -0.003 0.000 0.856 489 R HN 0.617 nan 8.270 nan 0.000 0.436 490 I N 0.249 120.861 120.570 0.069 0.000 2.252 490 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 490 I C 2.561 178.814 176.117 0.228 0.000 1.102 490 I CA 1.188 62.566 61.300 0.130 0.000 1.385 490 I CB -0.362 37.726 38.000 0.146 0.000 1.064 490 I HN 0.185 nan 8.210 nan 0.000 0.414 491 A N 0.499 123.459 122.820 0.235 0.000 1.865 491 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 491 A C 2.246 180.000 177.584 0.283 0.000 1.191 491 A CA 1.693 53.977 52.037 0.412 0.000 0.623 491 A CB -0.559 18.632 19.000 0.317 0.000 0.826 491 A HN 0.365 nan 8.150 nan 0.000 0.444 492 E N -0.229 120.070 120.200 0.165 0.000 2.118 492 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 492 E C 2.274 178.938 176.600 0.106 0.000 0.992 492 E CA 1.277 57.744 56.400 0.111 0.000 0.804 492 E CB -0.502 29.240 29.700 0.071 0.000 0.741 492 E HN 0.607 nan 8.360 nan 0.000 0.458 493 A N 0.373 123.263 122.820 0.117 0.000 2.067 493 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 493 A C 2.320 179.971 177.584 0.112 0.000 1.158 493 A CA 0.929 53.025 52.037 0.099 0.000 0.661 493 A CB -0.418 18.637 19.000 0.093 0.000 0.801 493 A HN 0.307 nan 8.150 nan 0.000 0.452 494 C N -1.349 118.048 119.300 0.163 0.000 2.626 494 C HA 0.449 4.908 4.460 -0.001 0.000 0.266 494 C C 1.959 176.985 174.990 0.060 0.000 1.317 494 C CA 0.224 59.322 59.018 0.134 0.000 1.716 494 C CB -1.039 26.836 27.740 0.225 0.000 1.819 494 C HN 1.030 nan 8.230 nan 0.000 0.578 495 G N 0.928 109.769 108.800 0.069 0.000 2.141 495 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.242 495 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.242 495 G C -0.134 174.781 174.900 0.026 0.000 0.982 495 G CA -0.095 45.026 45.100 0.035 0.000 0.662 495 G HN 0.530 nan 8.290 nan 0.000 0.527 496 I N 1.447 122.052 120.570 0.059 0.000 2.460 496 I HA 0.347 4.516 4.170 -0.001 0.000 0.298 496 I C 0.903 177.088 176.117 0.114 0.000 0.989 496 I CA -0.828 60.515 61.300 0.072 0.000 1.173 496 I CB 1.660 39.714 38.000 0.089 0.000 1.338 496 I HN 0.013 nan 8.210 nan 0.000 0.456 497 T N 4.267 118.870 114.554 0.082 0.000 2.871 497 T HA 0.240 4.589 4.350 -0.001 0.000 0.296 497 T C 0.298 175.049 174.700 0.084 0.000 0.998 497 T CA -0.227 61.913 62.100 0.066 0.000 1.162 497 T CB 0.241 69.133 68.868 0.040 0.000 0.947 497 T HN 0.813 nan 8.240 nan 0.000 0.536 498 G N 2.466 111.304 108.800 0.063 0.000 2.530 498 G HA2 0.654 4.614 3.960 -0.001 0.000 0.316 498 G HA3 0.654 4.614 3.960 -0.001 0.000 0.316 498 G C -0.784 174.121 174.900 0.007 0.000 1.298 498 G CA -0.752 44.376 45.100 0.047 0.000 0.948 498 G HN 0.748 nan 8.290 nan 0.000 0.486 499 I N 1.653 122.212 120.570 -0.018 0.000 2.410 499 I HA 0.364 4.533 4.170 -0.001 0.000 0.286 499 I C -0.051 176.037 176.117 -0.049 0.000 1.009 499 I CA -0.993 60.282 61.300 -0.041 0.000 1.111 499 I CB 2.120 40.079 38.000 -0.068 0.000 1.262 499 I HN 0.332 nan 8.210 nan 0.000 0.443 500 R N 5.924 126.399 120.500 -0.042 0.000 2.221 500 R HA 0.561 4.900 4.340 -0.001 0.000 0.327 500 R C -1.539 174.728 176.300 -0.056 0.000 1.033 500 R CA -0.262 55.813 56.100 -0.042 0.000 0.887 500 R CB 0.959 31.241 30.300 -0.030 0.000 1.057 500 R HN 0.448 nan 8.270 nan 0.000 0.455 501 V N 5.591 125.464 119.914 -0.067 0.000 2.409 501 V HA 0.328 4.447 4.120 -0.001 0.000 0.291 501 V C 0.267 176.319 176.094 -0.069 0.000 1.020 501 V CA -0.408 61.846 62.300 -0.076 0.000 0.848 501 V CB 1.525 33.286 31.823 -0.102 0.000 0.990 501 V HN 0.959 nan 8.190 nan 0.000 0.430 502 E N 2.316 122.480 120.200 -0.061 0.000 2.474 502 E HA 0.222 4.572 4.350 -0.001 0.000 0.215 502 E C -0.059 176.504 176.600 -0.063 0.000 0.867 502 E CA -0.063 56.302 56.400 -0.058 0.000 1.135 502 E CB 1.005 30.676 29.700 -0.050 0.000 1.147 502 E HN 0.556 nan 8.360 nan 0.000 0.534 503 K N 0.474 120.839 120.400 -0.059 0.000 2.221 503 K HA 0.473 4.792 4.320 -0.001 0.000 0.258 503 K C 0.426 176.997 176.600 -0.048 0.000 0.944 503 K CA -0.202 56.048 56.287 -0.061 0.000 0.823 503 K CB 1.799 34.266 32.500 -0.055 0.000 1.113 503 K HN -0.078 nan 8.250 nan 0.000 0.431 504 A N 1.596 124.378 122.820 -0.063 0.000 1.978 504 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 504 A C 1.996 179.610 177.584 0.049 0.000 1.170 504 A CA 2.273 54.303 52.037 -0.012 0.000 0.636 504 A CB -0.663 18.234 19.000 -0.171 0.000 0.810 504 A HN 0.799 nan 8.150 nan 0.000 0.448 505 S N -0.261 115.431 115.700 -0.013 0.000 2.474 505 S HA -0.118 4.351 4.470 -0.001 0.000 0.235 505 S C 1.342 175.946 174.600 0.007 0.000 0.997 505 S CA 1.244 59.446 58.200 0.003 0.000 0.949 505 S CB -0.343 62.842 63.200 -0.025 0.000 0.766 505 S HN 0.710 nan 8.310 nan 0.000 0.517 506 E N 0.634 120.827 120.200 -0.011 0.000 2.442 506 E HA 0.099 4.448 4.350 -0.001 0.000 0.195 506 E C 1.704 178.271 176.600 -0.054 0.000 1.030 506 E CA 0.252 56.629 56.400 -0.038 0.000 0.869 506 E CB -0.049 29.620 29.700 -0.052 0.000 0.857 506 E HN 0.363 nan 8.360 nan 0.000 0.505 507 V N 1.972 121.875 119.914 -0.017 0.000 2.255 507 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 507 V C 1.674 177.698 176.094 -0.117 0.000 1.051 507 V CA 2.110 64.371 62.300 -0.065 0.000 1.018 507 V CB -0.358 31.447 31.823 -0.031 0.000 0.641 507 V HN 0.211 nan 8.190 nan 0.000 0.445 508 D N -0.043 120.329 120.400 -0.047 0.000 2.092 508 D HA -0.219 4.421 4.640 -0.001 0.000 0.193 508 D C 2.160 178.238 176.300 -0.369 0.000 0.994 508 D CA 1.865 55.795 54.000 -0.116 0.000 0.828 508 D CB -0.326 40.526 40.800 0.086 0.000 0.963 508 D HN 0.743 nan 8.370 nan 0.000 0.450 509 E N 0.852 120.915 120.200 -0.229 0.000 2.150 509 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 509 E C 1.833 178.273 176.600 -0.266 0.000 0.985 509 E CA 1.487 57.743 56.400 -0.241 0.000 0.814 509 E CB -0.285 29.331 29.700 -0.140 0.000 0.752 509 E HN 0.159 nan 8.360 nan 0.000 0.466 510 A N 1.102 123.779 122.820 -0.238 0.000 1.898 510 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 510 A C 2.306 179.677 177.584 -0.356 0.000 1.181 510 A CA 1.399 53.294 52.037 -0.238 0.000 0.620 510 A CB -0.702 18.186 19.000 -0.187 0.000 0.819 510 A HN 0.339 nan 8.150 nan 0.000 0.442 511 L N -0.975 119.969 121.223 -0.464 0.000 2.056 511 L HA -0.231 4.108 4.340 -0.001 0.000 0.207 511 L C 2.901 179.219 176.870 -0.920 0.000 1.078 511 L CA 1.488 55.869 54.840 -0.764 0.000 0.749 511 L CB -0.642 41.053 42.059 -0.607 0.000 0.901 511 L HN 0.476 nan 8.230 nan 0.000 0.433 512 Q N -0.261 119.120 119.800 -0.698 0.000 2.084 512 Q HA -0.252 4.087 4.340 -0.001 0.000 0.202 512 Q C 2.297 178.131 176.000 -0.277 0.000 0.978 512 Q CA 1.682 57.193 55.803 -0.487 0.000 0.844 512 Q CB -0.183 28.253 28.738 -0.504 0.000 0.898 512 Q HN 0.395 nan 8.270 nan 0.000 0.426 513 R N 0.650 120.993 120.500 -0.261 0.000 2.073 513 R HA -0.147 4.192 4.340 -0.001 0.000 0.234 513 R C 2.191 178.418 176.300 -0.122 0.000 1.134 513 R CA 1.415 57.423 56.100 -0.153 0.000 0.952 513 R CB -0.384 29.836 30.300 -0.133 0.000 0.850 513 R HN 0.200 nan 8.270 nan 0.000 0.433 514 A N 0.618 123.316 122.820 -0.204 0.000 1.908 514 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 514 A C 1.939 179.575 177.584 0.086 0.000 1.181 514 A CA 1.408 53.379 52.037 -0.111 0.000 0.627 514 A CB -0.705 18.168 19.000 -0.213 0.000 0.818 514 A HN 0.430 nan 8.150 nan 0.000 0.445 515 F N 0.695 120.622 119.950 -0.037 0.000 2.259 515 F HA -0.030 4.497 4.527 -0.001 0.000 0.298 515 F C 2.672 178.457 175.800 -0.025 0.000 1.088 515 F CA 0.845 58.831 58.000 -0.024 0.000 1.358 515 F CB -1.067 37.925 39.000 -0.012 0.000 1.040 515 F HN 0.157 nan 8.300 nan 0.000 0.505 516 S N -0.142 115.639 115.700 0.135 0.000 2.414 516 S HA 0.058 4.527 4.470 -0.001 0.000 0.227 516 S C 1.028 175.655 174.600 0.045 0.000 1.022 516 S CA 0.040 58.280 58.200 0.067 0.000 0.958 516 S CB -0.287 62.927 63.200 0.023 0.000 0.797 516 S HN 0.086 nan 8.310 nan 0.000 0.493 517 I N 3.010 123.605 120.570 0.041 0.000 2.752 517 I HA -0.065 4.104 4.170 -0.001 0.000 0.289 517 I C 0.384 176.521 176.117 0.034 0.000 1.197 517 I CA 0.068 61.385 61.300 0.028 0.000 1.432 517 I CB 0.291 38.305 38.000 0.024 0.000 1.359 517 I HN 0.007 nan 8.210 nan 0.000 0.571 518 D N 6.008 126.421 120.400 0.021 0.000 2.688 518 D HA 0.391 5.031 4.640 -0.001 0.000 0.228 518 D C 0.104 176.414 176.300 0.016 0.000 1.116 518 D CA 0.444 54.454 54.000 0.017 0.000 1.023 518 D CB -0.258 40.548 40.800 0.010 0.000 1.100 518 D HN 0.716 nan 8.370 nan 0.000 0.487 519 G N 1.425 110.239 108.800 0.024 0.000 2.315 519 G HA2 0.204 4.164 3.960 -0.001 0.000 0.294 519 G HA3 0.204 4.164 3.960 -0.001 0.000 0.294 519 G C -3.163 171.759 174.900 0.037 0.000 1.300 519 G CA -0.993 44.120 45.100 0.022 0.000 0.843 519 G HN 0.030 nan 8.290 nan 0.000 0.527 520 P HA 0.571 nan 4.420 nan 0.000 0.277 520 P C -0.677 176.673 177.300 0.083 0.000 1.240 520 P CA -0.328 62.807 63.100 0.058 0.000 0.798 520 P CB 1.848 33.566 31.700 0.030 0.000 0.979 521 V N 2.919 122.904 119.914 0.117 0.000 2.932 521 V HA 0.365 4.484 4.120 -0.001 0.000 0.307 521 V C -0.273 175.899 176.094 0.130 0.000 1.147 521 V CA -0.752 61.615 62.300 0.111 0.000 0.951 521 V CB 2.284 34.150 31.823 0.072 0.000 1.031 521 V HN 0.451 nan 8.190 nan 0.000 0.426 522 L N 4.486 125.778 121.223 0.115 0.000 2.305 522 L HA 0.744 5.083 4.340 -0.001 0.000 0.284 522 L C -0.993 175.854 176.870 -0.039 0.000 1.013 522 L CA -0.442 54.412 54.840 0.024 0.000 0.819 522 L CB 1.591 43.636 42.059 -0.023 0.000 1.227 522 L HN 0.523 nan 8.230 nan 0.000 0.417 523 V N 3.711 123.579 119.914 -0.078 0.000 2.333 523 V HA 0.267 4.386 4.120 -0.001 0.000 0.274 523 V C -0.494 175.520 176.094 -0.134 0.000 1.028 523 V CA -0.515 61.722 62.300 -0.104 0.000 0.851 523 V CB 1.267 33.014 31.823 -0.127 0.000 1.000 523 V HN 0.652 nan 8.190 nan 0.000 0.456 524 D N 4.800 125.138 120.400 -0.103 0.000 2.443 524 D HA 0.341 4.980 4.640 -0.001 0.000 0.221 524 D C -0.542 175.710 176.300 -0.080 0.000 1.097 524 D CA -0.104 53.851 54.000 -0.075 0.000 0.865 524 D CB 1.347 42.154 40.800 0.011 0.000 1.034 524 D HN 0.280 nan 8.370 nan 0.000 0.511 525 V N 4.504 124.340 119.914 -0.130 0.000 2.328 525 V HA 0.224 4.343 4.120 -0.001 0.000 0.278 525 V C 0.490 176.523 176.094 -0.101 0.000 1.021 525 V CA -1.021 61.187 62.300 -0.152 0.000 0.838 525 V CB 1.519 33.176 31.823 -0.276 0.000 0.999 525 V HN 0.289 nan 8.190 nan 0.000 0.447 526 V N 6.858 126.736 119.914 -0.061 0.000 2.446 526 V HA 0.199 4.318 4.120 -0.001 0.000 0.276 526 V C 0.328 176.397 176.094 -0.041 0.000 1.030 526 V CA 0.134 62.418 62.300 -0.027 0.000 1.033 526 V CB 0.995 32.803 31.823 -0.026 0.000 0.993 526 V HN 0.760 nan 8.190 nan 0.000 0.477 527 V N 3.012 122.925 119.914 -0.003 0.000 2.815 527 V HA 0.990 5.109 4.120 -0.001 0.000 0.314 527 V C 0.284 176.408 176.094 0.049 0.000 1.064 527 V CA -0.927 61.376 62.300 0.007 0.000 0.952 527 V CB 1.699 33.548 31.823 0.043 0.000 1.020 527 V HN 0.892 nan 8.190 nan 0.000 0.439 528 A N 3.080 125.925 122.820 0.042 0.000 2.386 528 A HA 0.525 4.844 4.320 -0.001 0.000 0.248 528 A C 0.442 178.105 177.584 0.132 0.000 1.082 528 A CA -0.573 51.506 52.037 0.070 0.000 0.789 528 A CB 0.092 19.137 19.000 0.076 0.000 1.025 528 A HN 0.877 nan 8.150 nan 0.000 0.490 529 K N 2.309 122.783 120.400 0.124 0.000 2.368 529 K HA 0.280 4.599 4.320 -0.001 0.000 0.282 529 K C -0.153 176.546 176.600 0.165 0.000 1.035 529 K CA 0.046 56.423 56.287 0.151 0.000 0.973 529 K CB 0.594 33.158 32.500 0.107 0.000 0.957 529 K HN 0.691 nan 8.250 nan 0.000 0.474 530 E N 1.906 122.246 120.200 0.232 0.000 2.450 530 E HA 0.346 4.695 4.350 -0.001 0.000 0.248 530 E C -0.344 176.375 176.600 0.198 0.000 0.930 530 E CA -0.749 55.788 56.400 0.228 0.000 0.854 530 E CB 1.380 31.275 29.700 0.324 0.000 1.355 530 E HN 0.429 nan 8.360 nan 0.000 0.402 531 E N 0.319 120.629 120.200 0.183 0.000 2.263 531 E HA 0.305 4.654 4.350 -0.001 0.000 0.264 531 E C 0.954 177.647 176.600 0.156 0.000 0.923 531 E CA -0.478 55.993 56.400 0.118 0.000 0.802 531 E CB 1.784 31.523 29.700 0.065 0.000 1.228 531 E HN 0.226 nan 8.360 nan 0.000 0.417 532 L N 0.776 122.035 121.223 0.059 0.000 2.095 532 L HA 0.075 4.414 4.340 -0.001 0.000 0.204 532 L C 1.071 177.973 176.870 0.054 0.000 1.080 532 L CA 0.500 55.364 54.840 0.040 0.000 0.759 532 L CB 0.002 42.032 42.059 -0.048 0.000 0.914 532 L HN 0.520 nan 8.230 nan 0.000 0.439 533 A N 0.334 123.167 122.820 0.022 0.000 2.386 533 A HA 0.416 4.735 4.320 -0.001 0.000 0.248 533 A C -0.392 177.215 177.584 0.038 0.000 1.082 533 A CA -0.054 51.990 52.037 0.013 0.000 0.789 533 A CB 0.002 18.992 19.000 -0.016 0.000 1.025 533 A HN 0.207 nan 8.150 nan 0.000 0.490 534 I N 2.858 123.447 120.570 0.031 0.000 2.382 534 I HA 0.353 4.522 4.170 -0.001 0.000 0.286 534 I C -1.698 174.429 176.117 0.016 0.000 1.002 534 I CA -1.355 59.963 61.300 0.030 0.000 1.135 534 I CB 1.342 39.359 38.000 0.028 0.000 1.288 534 I HN 0.593 nan 8.210 nan 0.000 0.448 535 P HA 0.000 nan 4.420 nan 0.000 0.216 535 P CA 0.000 63.105 63.100 0.008 0.000 0.800 535 P CB 0.000 31.701 31.700 0.001 0.000 0.726