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 3fsl_1_F DATA FIRST_RESID 5 DATA SEQUENCE MFQKVDAYAG DPILTLMERF KEDPRSDKVN LSIGLYYNED GIIPQLQAVA DATA SEQUENCE EAEARLNAQP HGASLYLPME GLNCYRHAIA PLLFGADHPV LKQQRVATIQ DATA SEQUENCE TLGGSGALKV GADFLKRYFP ESXGXXXXVW VSDPTWENHV AIFAGAGFXE DATA SEQUENCE VSTYPWYDEA TNGVRFNDLL ATLKTLQAGS IVLLHPCCHN PTGADLTNDQ DATA SEQUENCE WDAVIEILKA RELIPFLDIA YQGFGAGXME EDAYAIRAIA SAGLPALVSN DATA SEQUENCE SFSKIFSLYG ERVGGLSVMC EDAEAAGRVL GQLKATVRRN YSSPPNFGAQ DATA SEQUENCE VVAAVLNDEA LKASWLKEVE EMRTRILAMR QELVKVLSTE MPERNFDYLL DATA SEQUENCE NQRGMFSYTG LSAAQVDRLR EEFGVYLIAS GRMCVAGLNT ANVQRVAKAF DATA SEQUENCE AXAVM 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.006 176.300 -0.490 0.000 1.140 5 M CA 0.000 55.021 55.300 -0.465 0.000 0.988 5 M CB 0.000 32.143 32.600 -0.762 0.000 1.302 6 F N 1.038 120.990 119.950 0.003 0.000 2.645 6 F HA 0.296 4.823 4.527 0.000 0.000 0.300 6 F C 1.469 177.272 175.800 0.006 0.000 1.115 6 F CA -0.202 57.800 58.000 0.004 0.000 1.355 6 F CB -0.049 38.954 39.000 0.005 0.000 1.026 6 F HN 0.188 nan 8.300 nan 0.000 0.536 7 Q N 1.034 120.885 119.800 0.085 0.000 2.152 7 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 7 Q C 1.567 177.608 176.000 0.069 0.000 0.985 7 Q CA 1.535 57.376 55.803 0.063 0.000 0.863 7 Q CB -0.168 28.583 28.738 0.021 0.000 0.904 7 Q HN 0.355 nan 8.270 nan 0.000 0.422 8 K N -0.214 120.231 120.400 0.074 0.000 2.404 8 K HA 0.135 4.455 4.320 -0.000 0.000 0.194 8 K C -0.520 176.126 176.600 0.076 0.000 1.023 8 K CA -0.064 56.261 56.287 0.063 0.000 1.094 8 K CB 0.829 33.357 32.500 0.047 0.000 0.841 8 K HN -0.022 nan 8.250 nan 0.000 0.523 9 V N 4.878 124.856 119.914 0.108 0.000 2.381 9 V HA -0.048 4.072 4.120 -0.000 0.000 0.257 9 V C 0.370 176.501 176.094 0.061 0.000 1.057 9 V CA -0.545 61.806 62.300 0.084 0.000 1.013 9 V CB -0.476 31.400 31.823 0.088 0.000 1.069 9 V HN 0.302 nan 8.190 nan 0.000 0.484 10 D N 4.086 124.517 120.400 0.052 0.000 2.368 10 D HA 0.255 4.895 4.640 -0.000 0.000 0.240 10 D C 0.329 176.665 176.300 0.061 0.000 1.169 10 D CA -0.377 53.654 54.000 0.051 0.000 0.906 10 D CB 1.547 42.377 40.800 0.048 0.000 1.187 10 D HN 0.537 nan 8.370 nan 0.000 0.435 11 A N 1.051 123.907 122.820 0.060 0.000 2.488 11 A HA 0.119 4.439 4.320 -0.000 0.000 0.249 11 A C -0.405 177.256 177.584 0.128 0.000 1.083 11 A CA -0.479 51.602 52.037 0.073 0.000 0.768 11 A CB -0.241 18.784 19.000 0.042 0.000 1.017 11 A HN 0.529 nan 8.150 nan 0.000 0.496 12 Y N 2.889 123.184 120.300 -0.009 0.000 2.526 12 Y HA 0.284 4.834 4.550 -0.000 0.000 0.330 12 Y C 1.185 177.082 175.900 -0.006 0.000 1.156 12 Y CA -0.390 57.703 58.100 -0.010 0.000 1.419 12 Y CB 0.669 39.120 38.460 -0.016 0.000 1.250 12 Y HN 0.749 nan 8.280 nan 0.000 0.540 13 A N 4.418 127.046 122.820 -0.319 0.000 2.015 13 A HA 0.351 4.671 4.320 -0.000 0.000 0.219 13 A C 1.158 178.404 177.584 -0.564 0.000 1.163 13 A CA 1.116 52.944 52.037 -0.349 0.000 0.646 13 A CB -1.113 17.767 19.000 -0.200 0.000 0.806 13 A HN 1.769 nan 8.150 nan 0.000 0.448 14 G N -0.874 107.161 108.800 -1.274 0.000 2.640 14 G HA2 0.040 4.000 3.960 -0.000 0.000 0.686 14 G HA3 0.040 4.000 3.960 -0.000 0.000 0.686 14 G C -0.878 173.682 174.900 -0.566 0.000 1.229 14 G CA -0.182 44.386 45.100 -0.885 0.000 0.796 14 G HN 0.310 nan 8.290 nan 0.000 0.654 15 D N 2.853 123.131 120.400 -0.203 0.000 2.368 15 D HA 0.144 4.784 4.640 -0.000 0.000 0.268 15 D C -0.048 176.227 176.300 -0.043 0.000 1.298 15 D CA -0.729 53.262 54.000 -0.016 0.000 0.938 15 D CB 1.151 41.995 40.800 0.074 0.000 1.101 15 D HN 0.127 nan 8.370 nan 0.000 0.509 16 P HA -0.166 nan 4.420 nan 0.000 0.216 16 P C 1.976 179.285 177.300 0.015 0.000 1.150 16 P CA 0.707 63.791 63.100 -0.027 0.000 0.837 16 P CB 0.432 32.118 31.700 -0.024 0.000 0.786 17 I N -0.521 120.066 120.570 0.029 0.000 2.127 17 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 17 I C 2.665 178.821 176.117 0.064 0.000 1.075 17 I CA 1.476 62.811 61.300 0.058 0.000 1.334 17 I CB -0.725 37.320 38.000 0.074 0.000 1.040 17 I HN -0.122 nan 8.210 nan 0.000 0.405 18 L N -0.156 121.102 121.223 0.057 0.000 2.131 18 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 18 L C 2.577 179.477 176.870 0.050 0.000 1.092 18 L CA 1.319 56.193 54.840 0.057 0.000 0.759 18 L CB -0.707 41.387 42.059 0.058 0.000 0.903 18 L HN 0.264 nan 8.230 nan 0.000 0.435 19 T N -0.064 114.508 114.554 0.031 0.000 2.821 19 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 19 T C 1.799 176.540 174.700 0.068 0.000 1.046 19 T CA 1.001 63.118 62.100 0.028 0.000 1.139 19 T CB -0.107 68.754 68.868 -0.011 0.000 0.871 19 T HN 0.110 nan 8.240 nan 0.000 0.454 20 L N 0.698 121.974 121.223 0.088 0.000 2.083 20 L HA 0.057 4.397 4.340 -0.000 0.000 0.209 20 L C 2.210 179.191 176.870 0.185 0.000 1.083 20 L CA 1.703 56.634 54.840 0.151 0.000 0.752 20 L CB -0.562 41.590 42.059 0.156 0.000 0.899 20 L HN 0.180 nan 8.230 nan 0.000 0.433 21 M N -0.798 118.874 119.600 0.121 0.000 2.296 21 M HA -0.150 4.330 4.480 -0.000 0.000 0.265 21 M C 2.036 178.424 176.300 0.146 0.000 1.064 21 M CA 1.401 56.767 55.300 0.110 0.000 1.109 21 M CB -0.198 32.440 32.600 0.062 0.000 1.396 21 M HN 0.286 nan 8.290 nan 0.000 0.430 22 E N -0.831 119.436 120.200 0.111 0.000 2.076 22 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 22 E C 1.948 178.604 176.600 0.093 0.000 0.979 22 E CA 0.894 57.346 56.400 0.087 0.000 0.807 22 E CB 0.089 29.824 29.700 0.058 0.000 0.761 22 E HN 0.342 nan 8.360 nan 0.000 0.454 23 R N -0.556 120.020 120.500 0.128 0.000 2.105 23 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 23 R C 2.028 178.429 176.300 0.168 0.000 1.135 23 R CA 1.443 57.636 56.100 0.154 0.000 0.967 23 R CB -0.470 29.955 30.300 0.207 0.000 0.861 23 R HN 0.215 nan 8.270 nan 0.000 0.442 24 F N 1.438 121.384 119.950 -0.007 0.000 2.186 24 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 24 F C 1.570 177.260 175.800 -0.184 0.000 1.090 24 F CA 1.407 59.240 58.000 -0.280 0.000 1.307 24 F CB 0.103 38.774 39.000 -0.548 0.000 1.019 24 F HN -0.175 nan 8.300 nan 0.000 0.489 25 K N 0.016 120.366 120.400 -0.084 0.000 2.097 25 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 25 K C 1.838 178.347 176.600 -0.151 0.000 1.050 25 K CA 1.441 57.654 56.287 -0.124 0.000 0.938 25 K CB -0.161 32.347 32.500 0.013 0.000 0.718 25 K HN 0.241 nan 8.250 nan 0.000 0.442 26 E N 1.158 121.305 120.200 -0.089 0.000 2.208 26 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 26 E C 0.226 176.770 176.600 -0.092 0.000 0.988 26 E CA 0.432 56.793 56.400 -0.066 0.000 0.828 26 E CB -0.323 29.366 29.700 -0.018 0.000 0.763 26 E HN 0.240 nan 8.360 nan 0.000 0.478 27 D N 2.352 122.669 120.400 -0.138 0.000 2.502 27 D HA -0.067 4.573 4.640 -0.000 0.000 0.249 27 D C -1.390 174.813 176.300 -0.161 0.000 1.188 27 D CA -0.906 53.017 54.000 -0.129 0.000 0.890 27 D CB 1.173 41.874 40.800 -0.166 0.000 1.140 27 D HN -0.021 nan 8.370 nan 0.000 0.505 28 P HA -0.004 nan 4.420 nan 0.000 0.235 28 P C 0.203 177.459 177.300 -0.073 0.000 1.177 28 P CA 0.026 63.079 63.100 -0.079 0.000 0.785 28 P CB 0.449 32.120 31.700 -0.048 0.000 0.885 29 R N 1.119 121.581 120.500 -0.063 0.000 2.502 29 R HA 0.040 4.380 4.340 -0.000 0.000 0.292 29 R C 1.840 178.103 176.300 -0.062 0.000 0.998 29 R CA 0.551 56.627 56.100 -0.040 0.000 1.056 29 R CB -0.251 30.047 30.300 -0.004 0.000 0.939 29 R HN 0.163 nan 8.270 nan 0.000 0.411 30 S N 1.289 116.965 115.700 -0.041 0.000 2.461 30 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 30 S C 0.876 175.462 174.600 -0.024 0.000 1.005 30 S CA 0.900 59.075 58.200 -0.042 0.000 0.942 30 S CB 0.037 63.220 63.200 -0.028 0.000 0.776 30 S HN 0.704 nan 8.310 nan 0.000 0.514 31 D N 1.804 122.204 120.400 -0.000 0.000 2.395 31 D HA 0.085 4.725 4.640 -0.000 0.000 0.226 31 D C 0.335 176.672 176.300 0.063 0.000 1.146 31 D CA -0.466 53.549 54.000 0.025 0.000 0.830 31 D CB -0.574 40.244 40.800 0.029 0.000 0.958 31 D HN 0.653 nan 8.370 nan 0.000 0.501 32 K N -0.146 120.286 120.400 0.054 0.000 2.469 32 K HA 0.230 4.550 4.320 -0.000 0.000 0.274 32 K C -0.480 176.258 176.600 0.231 0.000 0.983 32 K CA -0.375 56.005 56.287 0.154 0.000 0.974 32 K CB 0.930 33.410 32.500 -0.035 0.000 0.913 32 K HN -0.114 nan 8.250 nan 0.000 0.493 33 V N 2.087 122.189 119.914 0.312 0.000 2.443 33 V HA 0.084 4.204 4.120 -0.000 0.000 0.293 33 V C -0.812 175.341 176.094 0.098 0.000 1.021 33 V CA -1.031 61.368 62.300 0.165 0.000 0.848 33 V CB 1.266 33.130 31.823 0.069 0.000 0.998 33 V HN 0.877 nan 8.190 nan 0.000 0.424 34 N N 4.692 123.267 118.700 -0.208 0.000 2.437 34 N HA 0.340 5.080 4.740 -0.000 0.000 0.243 34 N C -0.234 175.108 175.510 -0.279 0.000 1.041 34 N CA -0.295 52.427 53.050 -0.547 0.000 0.940 34 N CB 1.071 38.863 38.487 -1.158 0.000 1.133 34 N HN 0.478 nan 8.380 nan 0.000 0.506 35 L N 2.579 123.747 121.223 -0.091 0.000 2.965 35 L HA 0.252 4.592 4.340 -0.000 0.000 0.254 35 L C 1.466 178.378 176.870 0.071 0.000 1.220 35 L CA 0.238 55.076 54.840 -0.002 0.000 1.023 35 L CB -0.553 41.547 42.059 0.069 0.000 1.355 35 L HN 0.727 nan 8.230 nan 0.000 0.545 36 S N -1.968 113.746 115.700 0.024 0.000 2.514 36 S HA 0.258 4.728 4.470 -0.000 0.000 0.223 36 S C 0.690 175.366 174.600 0.127 0.000 1.046 36 S CA -0.108 58.147 58.200 0.090 0.000 0.914 36 S CB 0.387 63.640 63.200 0.088 0.000 0.807 36 S HN 0.105 nan 8.310 nan 0.000 0.497 37 I N 2.250 122.879 120.570 0.099 0.000 2.440 37 I HA 0.610 4.780 4.170 -0.000 0.000 0.294 37 I C 0.659 176.956 176.117 0.300 0.000 0.995 37 I CA -0.297 61.111 61.300 0.179 0.000 1.306 37 I CB 1.447 39.518 38.000 0.119 0.000 1.407 37 I HN 0.234 nan 8.210 nan 0.000 0.501 38 G N 8.102 117.145 108.800 0.404 0.000 3.343 38 G HA2 0.487 4.447 3.960 -0.000 0.000 0.279 38 G HA3 0.487 4.447 3.960 -0.000 0.000 0.279 38 G C -0.616 174.504 174.900 0.367 0.000 0.919 38 G CA -0.277 45.146 45.100 0.538 0.000 1.812 38 G HN 0.423 nan 8.290 nan 0.000 0.584 39 L N 0.129 121.501 121.223 0.249 0.000 2.354 39 L HA 0.444 4.784 4.340 -0.000 0.000 0.264 39 L C -0.808 176.127 176.870 0.109 0.000 1.008 39 L CA -1.563 53.361 54.840 0.141 0.000 0.819 39 L CB 2.284 44.231 42.059 -0.187 0.000 1.339 39 L HN 0.279 nan 8.230 nan 0.000 0.420 40 Y N 1.329 121.690 120.300 0.101 0.000 2.393 40 Y HA 0.377 4.927 4.550 -0.000 0.000 0.338 40 Y C -1.143 174.666 175.900 -0.152 0.000 1.029 40 Y CA -0.050 58.091 58.100 0.068 0.000 1.239 40 Y CB 0.336 38.920 38.460 0.207 0.000 1.170 40 Y HN 0.269 nan 8.280 nan 0.000 0.515 41 Y N 5.366 125.213 120.300 -0.754 0.000 2.429 41 Y HA 0.257 4.807 4.550 -0.000 0.000 0.342 41 Y C 0.315 175.743 175.900 -0.786 0.000 1.004 41 Y CA -1.030 56.776 58.100 -0.490 0.000 1.075 41 Y CB 1.035 39.315 38.460 -0.300 0.000 1.214 41 Y HN 0.765 nan 8.280 nan 0.000 0.455 42 N N 0.278 118.909 118.700 -0.115 0.000 2.381 42 N HA 0.014 4.754 4.740 -0.000 0.000 0.289 42 N C 0.969 176.469 175.510 -0.018 0.000 1.288 42 N CA -0.173 52.887 53.050 0.017 0.000 0.960 42 N CB 0.179 38.765 38.487 0.165 0.000 1.116 42 N HN 0.665 nan 8.380 nan 0.000 0.557 43 E N -1.074 119.139 120.200 0.021 0.000 2.204 43 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 43 E C 0.044 176.642 176.600 -0.003 0.000 0.989 43 E CA 1.360 57.758 56.400 -0.003 0.000 0.824 43 E CB -0.393 29.311 29.700 0.007 0.000 0.756 43 E HN 0.552 nan 8.360 nan 0.000 0.477 44 D N -0.377 120.035 120.400 0.021 0.000 2.319 44 D HA 0.111 4.751 4.640 -0.000 0.000 0.230 44 D C 0.681 176.997 176.300 0.027 0.000 1.094 44 D CA 0.766 54.779 54.000 0.022 0.000 0.856 44 D CB 0.057 40.878 40.800 0.035 0.000 0.915 44 D HN 0.351 nan 8.370 nan 0.000 0.517 45 G N 2.203 111.018 108.800 0.025 0.000 2.225 45 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.267 45 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.267 45 G C 0.333 175.366 174.900 0.221 0.000 1.024 45 G CA 0.506 45.630 45.100 0.040 0.000 0.784 45 G HN 0.513 nan 8.290 nan 0.000 0.507 46 I N -0.757 119.932 120.570 0.199 0.000 2.530 46 I HA 0.696 4.866 4.170 -0.000 0.000 0.297 46 I C 0.201 176.377 176.117 0.098 0.000 1.011 46 I CA -1.695 59.717 61.300 0.186 0.000 1.107 46 I CB 1.318 39.385 38.000 0.112 0.000 1.285 46 I HN -0.014 nan 8.210 nan 0.000 0.436 47 I N 8.637 129.185 120.570 -0.037 0.000 2.494 47 I HA 0.194 4.364 4.170 -0.000 0.000 0.289 47 I C -1.937 174.237 176.117 0.095 0.000 1.106 47 I CA -1.267 59.987 61.300 -0.077 0.000 1.369 47 I CB -0.003 37.864 38.000 -0.223 0.000 1.410 47 I HN 0.446 nan 8.210 nan 0.000 0.523 48 P HA 0.122 nan 4.420 nan 0.000 0.285 48 P C -0.984 176.413 177.300 0.162 0.000 1.259 48 P CA -0.701 62.498 63.100 0.163 0.000 0.794 48 P CB 1.145 32.959 31.700 0.189 0.000 0.940 49 Q N 2.782 122.662 119.800 0.132 0.000 2.293 49 Q HA 0.229 4.569 4.340 -0.000 0.000 0.263 49 Q C -0.452 175.617 176.000 0.114 0.000 1.002 49 Q CA -0.074 55.806 55.803 0.129 0.000 0.910 49 Q CB -0.151 28.654 28.738 0.111 0.000 1.185 49 Q HN 0.372 nan 8.270 nan 0.000 0.401 50 L N 4.351 125.646 121.223 0.121 0.000 2.426 50 L HA 0.025 4.365 4.340 -0.000 0.000 0.271 50 L C 1.430 178.354 176.870 0.089 0.000 1.169 50 L CA -0.541 54.360 54.840 0.101 0.000 0.836 50 L CB 0.491 42.623 42.059 0.121 0.000 1.112 50 L HN 0.767 nan 8.230 nan 0.000 0.465 51 Q N 2.614 122.456 119.800 0.070 0.000 2.112 51 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 51 Q C 2.114 178.152 176.000 0.063 0.000 0.987 51 Q CA 1.977 57.816 55.803 0.059 0.000 0.858 51 Q CB -0.303 28.462 28.738 0.045 0.000 0.905 51 Q HN 0.900 nan 8.270 nan 0.000 0.420 52 A N 0.639 123.507 122.820 0.080 0.000 1.898 52 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 52 A C 2.490 180.106 177.584 0.054 0.000 1.181 52 A CA 1.391 53.473 52.037 0.074 0.000 0.620 52 A CB -0.647 18.423 19.000 0.117 0.000 0.819 52 A HN 0.202 nan 8.150 nan 0.000 0.442 53 V N -0.104 119.854 119.914 0.073 0.000 2.343 53 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 53 V C 3.059 179.183 176.094 0.050 0.000 1.051 53 V CA 1.844 64.184 62.300 0.067 0.000 1.036 53 V CB -1.207 30.689 31.823 0.121 0.000 0.654 53 V HN 0.626 nan 8.190 nan 0.000 0.451 54 A N 0.180 123.038 122.820 0.063 0.000 1.873 54 A HA -0.313 4.007 4.320 -0.000 0.000 0.218 54 A C 2.210 179.818 177.584 0.040 0.000 1.193 54 A CA 2.386 54.458 52.037 0.058 0.000 0.629 54 A CB -0.601 18.434 19.000 0.059 0.000 0.826 54 A HN 0.585 nan 8.150 nan 0.000 0.447 55 E N 0.082 120.302 120.200 0.033 0.000 2.051 55 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 55 E C 2.030 178.633 176.600 0.006 0.000 0.991 55 E CA 1.711 58.124 56.400 0.022 0.000 0.799 55 E CB -0.565 29.149 29.700 0.024 0.000 0.748 55 E HN 0.462 nan 8.360 nan 0.000 0.449 56 A N 0.921 123.737 122.820 -0.006 0.000 1.869 56 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 56 A C 2.162 179.714 177.584 -0.052 0.000 1.203 56 A CA 2.202 54.214 52.037 -0.041 0.000 0.638 56 A CB -0.900 18.061 19.000 -0.065 0.000 0.831 56 A HN 0.446 nan 8.150 nan 0.000 0.450 57 E N -0.591 119.587 120.200 -0.037 0.000 2.077 57 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 57 E C 2.356 178.965 176.600 0.015 0.000 0.989 57 E CA 0.841 57.228 56.400 -0.020 0.000 0.800 57 E CB -0.316 29.416 29.700 0.053 0.000 0.746 57 E HN 0.633 nan 8.360 nan 0.000 0.452 58 A N 1.667 124.501 122.820 0.024 0.000 1.883 58 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 58 A C 2.074 179.670 177.584 0.020 0.000 1.186 58 A CA 1.483 53.538 52.037 0.030 0.000 0.624 58 A CB -0.454 18.564 19.000 0.029 0.000 0.822 58 A HN 0.095 nan 8.150 nan 0.000 0.444 59 R N -0.918 119.584 120.500 0.004 0.000 2.081 59 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 59 R C 1.992 178.287 176.300 -0.008 0.000 1.131 59 R CA 1.494 57.593 56.100 -0.002 0.000 0.960 59 R CB -0.471 29.821 30.300 -0.013 0.000 0.856 59 R HN 0.501 nan 8.270 nan 0.000 0.436 60 L N 0.854 122.057 121.223 -0.033 0.000 2.217 60 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 60 L C 2.389 179.231 176.870 -0.047 0.000 1.107 60 L CA 0.782 55.584 54.840 -0.063 0.000 0.783 60 L CB -0.416 41.569 42.059 -0.124 0.000 0.919 60 L HN 0.306 nan 8.230 nan 0.000 0.442 61 N N 0.559 119.263 118.700 0.007 0.000 2.171 61 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 61 N C 1.805 177.387 175.510 0.120 0.000 1.021 61 N CA 1.354 54.444 53.050 0.066 0.000 0.854 61 N CB 0.205 38.739 38.487 0.078 0.000 0.994 61 N HN 0.301 nan 8.380 nan 0.000 0.426 62 A N 0.617 123.484 122.820 0.077 0.000 2.067 62 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 62 A C 1.287 178.920 177.584 0.083 0.000 1.156 62 A CA 0.218 52.298 52.037 0.072 0.000 0.683 62 A CB -0.322 18.704 19.000 0.044 0.000 0.808 62 A HN 0.550 nan 8.150 nan 0.000 0.455 63 Q N 1.496 121.349 119.800 0.088 0.000 2.286 63 Q HA 0.191 4.531 4.340 -0.000 0.000 0.267 63 Q C -2.380 173.727 176.000 0.179 0.000 1.028 63 Q CA -2.240 53.617 55.803 0.090 0.000 0.901 63 Q CB 0.694 29.461 28.738 0.049 0.000 1.183 63 Q HN 0.226 nan 8.270 nan 0.000 0.392 64 P HA -0.047 nan 4.420 nan 0.000 0.265 64 P C -1.233 176.141 177.300 0.124 0.000 1.193 64 P CA 0.629 63.769 63.100 0.067 0.000 0.765 64 P CB 0.406 32.114 31.700 0.015 0.000 0.823 65 H N 0.272 119.345 119.070 0.004 0.000 2.930 65 H HA 0.562 5.118 4.556 -0.000 0.000 0.371 65 H C -0.155 175.174 175.328 0.001 0.000 1.169 65 H CA -0.983 55.067 56.048 0.003 0.000 1.157 65 H CB 0.903 30.669 29.762 0.008 0.000 1.789 65 H HN 0.480 nan 8.280 nan 0.000 0.547 66 G N 0.661 109.497 108.800 0.059 0.000 2.494 66 G HA2 0.471 4.431 3.960 -0.000 0.000 0.270 66 G HA3 0.471 4.431 3.960 -0.000 0.000 0.270 66 G C -0.059 174.875 174.900 0.056 0.000 1.423 66 G CA -0.243 44.864 45.100 0.013 0.000 1.055 66 G HN 0.879 nan 8.290 nan 0.000 0.536 67 A N -0.853 121.982 122.820 0.024 0.000 2.429 67 A HA 0.453 4.773 4.320 -0.000 0.000 0.242 67 A C 0.928 178.532 177.584 0.032 0.000 1.088 67 A CA 0.551 52.602 52.037 0.024 0.000 0.784 67 A CB 0.176 19.169 19.000 -0.013 0.000 1.038 67 A HN 1.092 nan 8.150 nan 0.000 0.501 68 S N 1.208 116.919 115.700 0.018 0.000 2.411 68 S HA 0.463 4.933 4.470 -0.000 0.000 0.304 68 S C -0.109 174.465 174.600 -0.044 0.000 1.098 68 S CA -0.577 57.628 58.200 0.008 0.000 1.068 68 S CB -1.052 62.158 63.200 0.017 0.000 1.032 68 S HN 0.460 nan 8.310 nan 0.000 0.511 69 L N 4.392 125.597 121.223 -0.030 0.000 2.439 69 L HA 0.415 4.755 4.340 -0.000 0.000 0.259 69 L C 0.121 176.990 176.870 -0.001 0.000 1.129 69 L CA -1.142 53.664 54.840 -0.057 0.000 0.803 69 L CB 0.376 42.434 42.059 -0.003 0.000 1.161 69 L HN 0.597 nan 8.230 nan 0.000 0.462 70 Y N 1.527 121.838 120.300 0.018 0.000 2.805 70 Y HA -0.057 4.493 4.550 -0.000 0.000 0.331 70 Y C 0.756 176.665 175.900 0.016 0.000 1.241 70 Y CA -0.384 57.727 58.100 0.019 0.000 1.546 70 Y CB 0.196 38.666 38.460 0.017 0.000 1.248 70 Y HN 0.320 nan 8.280 nan 0.000 0.559 71 L N 6.396 127.740 121.223 0.200 0.000 2.476 71 L HA 0.165 4.505 4.340 -0.000 0.000 0.255 71 L C -1.797 175.129 176.870 0.093 0.000 1.218 71 L CA -2.018 52.891 54.840 0.114 0.000 0.819 71 L CB -0.042 42.064 42.059 0.078 0.000 1.119 71 L HN 0.448 nan 8.230 nan 0.000 0.485 72 P HA 0.137 nan 4.420 nan 0.000 0.274 72 P C 0.469 177.775 177.300 0.010 0.000 1.246 72 P CA -0.405 62.706 63.100 0.018 0.000 0.795 72 P CB 0.587 32.299 31.700 0.020 0.000 1.006 73 M N 0.427 120.011 119.600 -0.026 0.000 2.106 73 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 73 M C 1.820 178.117 176.300 -0.004 0.000 1.068 73 M CA 1.993 57.266 55.300 -0.044 0.000 1.100 73 M CB -0.788 31.763 32.600 -0.082 0.000 1.351 73 M HN 0.479 nan 8.290 nan 0.000 0.404 74 E N 0.802 121.005 120.200 0.005 0.000 2.409 74 E HA 0.086 4.436 4.350 -0.000 0.000 0.198 74 E C 1.055 177.694 176.600 0.065 0.000 1.024 74 E CA 1.044 57.459 56.400 0.026 0.000 0.861 74 E CB -0.263 29.444 29.700 0.012 0.000 0.788 74 E HN 0.535 nan 8.360 nan 0.000 0.521 75 G N 0.893 109.732 108.800 0.065 0.000 2.526 75 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.250 75 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.250 75 G C -1.172 173.772 174.900 0.073 0.000 1.289 75 G CA -0.355 44.788 45.100 0.071 0.000 0.947 75 G HN 0.267 nan 8.290 nan 0.000 0.517 76 L N 1.283 122.548 121.223 0.070 0.000 2.315 76 L HA 0.494 4.834 4.340 -0.000 0.000 0.283 76 L C 1.565 178.516 176.870 0.135 0.000 1.089 76 L CA 0.657 55.539 54.840 0.070 0.000 0.833 76 L CB 0.514 42.577 42.059 0.007 0.000 1.170 76 L HN 0.788 nan 8.230 nan 0.000 0.442 77 N N 2.931 121.696 118.700 0.109 0.000 2.073 77 N HA -0.294 4.446 4.740 -0.000 0.000 0.199 77 N C 1.788 177.411 175.510 0.188 0.000 1.023 77 N CA 2.783 55.922 53.050 0.149 0.000 0.880 77 N CB -0.166 38.371 38.487 0.084 0.000 1.052 77 N HN 0.892 nan 8.380 nan 0.000 0.449 78 C N -1.554 117.809 119.300 0.104 0.000 2.448 78 C HA 0.077 4.537 4.460 -0.000 0.000 0.280 78 C C 2.479 177.523 174.990 0.091 0.000 1.398 78 C CA 0.104 59.166 59.018 0.073 0.000 1.774 78 C CB -1.955 25.792 27.740 0.011 0.000 1.888 78 C HN 0.522 nan 8.230 nan 0.000 0.519 79 Y N 2.289 122.573 120.300 -0.027 0.000 2.153 79 Y HA 0.049 4.599 4.550 -0.000 0.000 0.289 79 Y C 2.818 178.708 175.900 -0.017 0.000 1.127 79 Y CA 1.583 59.642 58.100 -0.068 0.000 1.131 79 Y CB -0.489 37.915 38.460 -0.092 0.000 0.995 79 Y HN 0.099 nan 8.280 nan 0.000 0.505 80 R N -0.898 119.660 120.500 0.097 0.000 2.103 80 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 80 R C 1.918 178.137 176.300 -0.136 0.000 1.142 80 R CA 1.993 58.072 56.100 -0.035 0.000 0.960 80 R CB -0.671 29.646 30.300 0.030 0.000 0.858 80 R HN 0.496 nan 8.270 nan 0.000 0.439 81 H N -0.478 118.556 119.070 -0.060 0.000 2.495 81 H HA 0.057 4.613 4.556 -0.000 0.000 0.287 81 H C 1.850 177.133 175.328 -0.076 0.000 1.033 81 H CA 1.236 57.250 56.048 -0.056 0.000 1.307 81 H CB 0.137 29.877 29.762 -0.036 0.000 1.401 81 H HN 0.294 nan 8.280 nan 0.000 0.555 82 A N 0.185 122.981 122.820 -0.039 0.000 1.975 82 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 82 A C 2.255 179.763 177.584 -0.128 0.000 1.170 82 A CA 0.522 52.500 52.037 -0.098 0.000 0.656 82 A CB -0.361 18.538 19.000 -0.168 0.000 0.821 82 A HN 0.334 nan 8.150 nan 0.000 0.449 83 I N -0.086 120.356 120.570 -0.213 0.000 2.163 83 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 83 I C 3.003 179.115 176.117 -0.009 0.000 1.085 83 I CA 1.224 62.450 61.300 -0.124 0.000 1.347 83 I CB -0.306 37.566 38.000 -0.213 0.000 1.044 83 I HN 0.399 nan 8.210 nan 0.000 0.408 84 A N 1.190 124.009 122.820 -0.002 0.000 1.851 84 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 84 A C -0.035 177.657 177.584 0.181 0.000 1.195 84 A CA 1.874 53.980 52.037 0.114 0.000 0.622 84 A CB -2.058 16.937 19.000 -0.008 0.000 0.831 84 A HN 0.278 nan 8.150 nan 0.000 0.444 85 P HA -0.138 nan 4.420 nan 0.000 0.218 85 P C 1.587 178.954 177.300 0.111 0.000 1.148 85 P CA 0.925 64.091 63.100 0.111 0.000 0.822 85 P CB -0.047 31.700 31.700 0.077 0.000 0.784 86 L N -1.330 119.950 121.223 0.094 0.000 2.044 86 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 86 L C 2.137 179.030 176.870 0.038 0.000 1.075 86 L CA 1.757 56.661 54.840 0.106 0.000 0.747 86 L CB -1.099 41.058 42.059 0.165 0.000 0.903 86 L HN -0.134 nan 8.230 nan 0.000 0.435 87 L N -1.726 119.469 121.223 -0.047 0.000 2.023 87 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 87 L C 2.150 178.807 176.870 -0.354 0.000 1.073 87 L CA 1.304 55.974 54.840 -0.284 0.000 0.745 87 L CB -0.512 41.226 42.059 -0.535 0.000 0.900 87 L HN 0.182 nan 8.230 nan 0.000 0.435 88 F N -0.210 119.689 119.950 -0.084 0.000 2.754 88 F HA 0.326 4.853 4.527 -0.000 0.000 0.297 88 F C 1.306 177.122 175.800 0.026 0.000 1.122 88 F CA 0.345 58.266 58.000 -0.133 0.000 1.400 88 F CB -0.144 38.678 39.000 -0.295 0.000 1.117 88 F HN 0.119 nan 8.300 nan 0.000 0.587 89 G N 0.345 109.252 108.800 0.179 0.000 2.777 89 G HA2 0.058 4.018 3.960 -0.000 0.000 0.686 89 G HA3 0.058 4.018 3.960 -0.000 0.000 0.686 89 G C 0.635 175.632 174.900 0.162 0.000 1.177 89 G CA -0.620 44.576 45.100 0.160 0.000 0.775 89 G HN 0.415 nan 8.290 nan 0.000 0.613 90 A N 0.748 123.636 122.820 0.113 0.000 1.933 90 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 90 A C 1.859 179.495 177.584 0.086 0.000 1.175 90 A CA 2.385 54.477 52.037 0.091 0.000 0.628 90 A CB -0.180 18.860 19.000 0.067 0.000 0.814 90 A HN 0.722 nan 8.150 nan 0.000 0.444 91 D N -0.957 119.493 120.400 0.082 0.000 2.349 91 D HA 0.005 4.645 4.640 -0.000 0.000 0.224 91 D C 0.325 176.658 176.300 0.055 0.000 1.029 91 D CA 0.088 54.120 54.000 0.052 0.000 0.879 91 D CB -0.361 40.455 40.800 0.026 0.000 0.906 91 D HN 0.496 nan 8.370 nan 0.000 0.528 92 H N 1.286 120.370 119.070 0.022 0.000 2.886 92 H HA 0.018 4.574 4.556 -0.000 0.000 0.329 92 H C -1.507 173.806 175.328 -0.026 0.000 1.044 92 H CA -1.128 54.928 56.048 0.014 0.000 1.456 92 H CB 1.644 31.441 29.762 0.059 0.000 1.464 92 H HN -0.180 nan 8.280 nan 0.000 0.573 93 P HA -0.183 nan 4.420 nan 0.000 0.218 93 P C 1.608 178.978 177.300 0.116 0.000 1.146 93 P CA 0.664 63.785 63.100 0.034 0.000 0.813 93 P CB 0.317 31.986 31.700 -0.052 0.000 0.778 94 V N -0.852 119.255 119.914 0.322 0.000 2.667 94 V HA -0.149 3.971 4.120 -0.000 0.000 0.252 94 V C 1.949 177.919 176.094 -0.208 0.000 1.065 94 V CA 1.454 63.717 62.300 -0.062 0.000 1.083 94 V CB -0.806 30.817 31.823 -0.334 0.000 0.692 94 V HN 0.020 nan 8.190 nan 0.000 0.468 95 L N -0.857 120.269 121.223 -0.162 0.000 2.240 95 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 95 L C 2.480 179.310 176.870 -0.068 0.000 1.106 95 L CA 1.121 55.873 54.840 -0.147 0.000 0.793 95 L CB -0.604 41.404 42.059 -0.085 0.000 0.927 95 L HN 0.220 nan 8.230 nan 0.000 0.446 96 K N 0.346 120.729 120.400 -0.029 0.000 2.147 96 K HA -0.169 4.151 4.320 -0.000 0.000 0.205 96 K C 1.873 178.453 176.600 -0.033 0.000 1.049 96 K CA 1.205 57.480 56.287 -0.020 0.000 0.936 96 K CB -0.028 32.467 32.500 -0.008 0.000 0.722 96 K HN 0.409 nan 8.250 nan 0.000 0.446 97 Q N 0.286 120.057 119.800 -0.049 0.000 2.425 97 Q HA 0.025 4.365 4.340 -0.000 0.000 0.204 97 Q C -0.384 175.573 176.000 -0.072 0.000 0.933 97 Q CA -0.003 55.768 55.803 -0.054 0.000 0.939 97 Q CB 0.466 29.172 28.738 -0.053 0.000 1.044 97 Q HN 0.181 nan 8.270 nan 0.000 0.513 98 Q N 0.273 120.018 119.800 -0.092 0.000 2.434 98 Q HA -0.249 4.091 4.340 -0.000 0.000 0.299 98 Q C 0.332 176.259 176.000 -0.121 0.000 1.286 98 Q CA 0.890 56.631 55.803 -0.104 0.000 0.872 98 Q CB -1.109 27.592 28.738 -0.062 0.000 1.193 98 Q HN 0.528 nan 8.270 nan 0.000 0.466 99 R N -1.917 118.490 120.500 -0.154 0.000 2.393 99 R HA 0.272 4.612 4.340 -0.000 0.000 0.244 99 R C -0.027 176.153 176.300 -0.199 0.000 0.920 99 R CA -0.272 55.738 56.100 -0.150 0.000 1.076 99 R CB 0.635 30.863 30.300 -0.121 0.000 1.119 99 R HN 0.003 nan 8.270 nan 0.000 0.524 100 V N 1.562 121.317 119.914 -0.264 0.000 2.439 100 V HA 0.549 4.669 4.120 -0.000 0.000 0.282 100 V C 0.225 176.202 176.094 -0.195 0.000 1.039 100 V CA -0.934 61.202 62.300 -0.275 0.000 0.913 100 V CB 1.353 32.914 31.823 -0.437 0.000 0.983 100 V HN 0.341 nan 8.190 nan 0.000 0.460 101 A N 3.526 126.250 122.820 -0.160 0.000 2.258 101 A HA 0.730 5.050 4.320 -0.000 0.000 0.316 101 A C 0.095 177.603 177.584 -0.128 0.000 1.279 101 A CA -0.343 51.606 52.037 -0.146 0.000 0.876 101 A CB 0.594 19.499 19.000 -0.158 0.000 1.170 101 A HN 0.747 nan 8.150 nan 0.000 0.520 102 T N 3.701 118.186 114.554 -0.114 0.000 2.809 102 T HA 0.566 4.916 4.350 -0.000 0.000 0.284 102 T C -0.114 174.561 174.700 -0.042 0.000 0.992 102 T CA -0.104 61.949 62.100 -0.078 0.000 0.957 102 T CB 0.491 69.302 68.868 -0.096 0.000 0.942 102 T HN 0.685 nan 8.240 nan 0.000 0.439 103 I N 0.693 121.260 120.570 -0.005 0.000 2.693 103 I HA 0.620 4.790 4.170 -0.000 0.000 0.303 103 I C -0.067 176.125 176.117 0.125 0.000 1.025 103 I CA -1.203 60.127 61.300 0.049 0.000 1.086 103 I CB 1.742 39.764 38.000 0.037 0.000 1.268 103 I HN 0.449 nan 8.210 nan 0.000 0.440 104 Q N 3.489 123.404 119.800 0.191 0.000 2.332 104 Q HA 0.402 4.742 4.340 -0.000 0.000 0.263 104 Q C -0.681 175.416 176.000 0.162 0.000 0.979 104 Q CA -0.073 55.886 55.803 0.259 0.000 0.885 104 Q CB 0.946 29.778 28.738 0.156 0.000 1.218 104 Q HN 0.923 nan 8.270 nan 0.000 0.405 105 T N 0.047 114.683 114.554 0.135 0.000 2.864 105 T HA 0.428 4.778 4.350 -0.000 0.000 0.289 105 T C -0.036 174.661 174.700 -0.005 0.000 1.082 105 T CA -0.965 61.193 62.100 0.098 0.000 1.009 105 T CB 0.558 69.492 68.868 0.111 0.000 1.234 105 T HN 0.578 nan 8.240 nan 0.000 0.526 106 L N 2.496 123.666 121.223 -0.088 0.000 2.382 106 L HA 0.495 4.835 4.340 -0.000 0.000 0.259 106 L C 1.430 178.275 176.870 -0.042 0.000 1.291 106 L CA 0.289 55.052 54.840 -0.128 0.000 1.176 106 L CB -1.439 40.468 42.059 -0.253 0.000 1.373 106 L HN 1.277 nan 8.230 nan 0.000 0.426 107 G N 1.437 110.224 108.800 -0.021 0.000 2.796 107 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.226 107 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.226 107 G C 0.761 175.649 174.900 -0.020 0.000 1.381 107 G CA -0.347 44.743 45.100 -0.018 0.000 0.867 107 G HN 0.606 nan 8.290 nan 0.000 0.552 108 G N -0.834 107.931 108.800 -0.058 0.000 2.443 108 G HA2 0.096 4.056 3.960 -0.000 0.000 0.219 108 G HA3 0.096 4.056 3.960 -0.000 0.000 0.219 108 G C 2.092 177.030 174.900 0.063 0.000 1.131 108 G CA 2.075 47.150 45.100 -0.041 0.000 0.775 108 G HN 1.255 nan 8.290 nan 0.000 0.547 109 S N 0.829 116.594 115.700 0.108 0.000 2.348 109 S HA -0.079 4.391 4.470 -0.000 0.000 0.221 109 S C 2.550 177.213 174.600 0.106 0.000 1.033 109 S CA 1.238 59.551 58.200 0.188 0.000 1.010 109 S CB -0.723 62.602 63.200 0.207 0.000 0.891 109 S HN 0.505 nan 8.310 nan 0.000 0.442 110 G N 1.340 110.179 108.800 0.064 0.000 2.442 110 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.219 110 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.219 110 G C 1.546 176.509 174.900 0.105 0.000 1.141 110 G CA 0.955 46.087 45.100 0.052 0.000 0.763 110 G HN 0.585 nan 8.290 nan 0.000 0.554 111 A N 0.486 123.372 122.820 0.111 0.000 1.933 111 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 111 A C 2.427 180.146 177.584 0.225 0.000 1.175 111 A CA 1.219 53.353 52.037 0.161 0.000 0.628 111 A CB -0.383 18.700 19.000 0.137 0.000 0.814 111 A HN 0.352 nan 8.150 nan 0.000 0.444 112 L N -0.664 120.646 121.223 0.145 0.000 2.042 112 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 112 L C 2.618 179.408 176.870 -0.133 0.000 1.076 112 L CA 2.004 56.834 54.840 -0.018 0.000 0.749 112 L CB -0.319 41.717 42.059 -0.038 0.000 0.893 112 L HN 0.413 nan 8.230 nan 0.000 0.432 113 K N -0.105 120.270 120.400 -0.042 0.000 2.031 113 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 113 K C 1.806 178.447 176.600 0.067 0.000 1.049 113 K CA 1.452 57.712 56.287 -0.046 0.000 0.939 113 K CB -0.426 32.082 32.500 0.012 0.000 0.717 113 K HN 0.040 nan 8.250 nan 0.000 0.438 114 V N 0.709 120.712 119.914 0.147 0.000 2.343 114 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 114 V C 2.316 178.575 176.094 0.275 0.000 1.051 114 V CA 2.071 64.485 62.300 0.191 0.000 1.036 114 V CB -1.138 30.795 31.823 0.183 0.000 0.654 114 V HN 0.597 nan 8.190 nan 0.000 0.451 115 G N -0.206 108.803 108.800 0.348 0.000 2.459 115 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 115 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 115 G C 1.799 177.063 174.900 0.606 0.000 1.183 115 G CA 1.141 46.578 45.100 0.562 0.000 0.776 115 G HN 0.607 nan 8.290 nan 0.000 0.552 116 A N 0.859 123.880 122.820 0.334 0.000 1.908 116 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 116 A C 2.122 179.954 177.584 0.414 0.000 1.181 116 A CA 2.262 54.466 52.037 0.278 0.000 0.627 116 A CB -0.492 18.239 19.000 -0.447 0.000 0.818 116 A HN 0.300 nan 8.150 nan 0.000 0.445 117 D N -1.166 119.384 120.400 0.250 0.000 2.097 117 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 117 D C 1.598 178.057 176.300 0.264 0.000 0.989 117 D CA 1.285 55.403 54.000 0.198 0.000 0.827 117 D CB -0.482 40.396 40.800 0.129 0.000 0.966 117 D HN 0.440 nan 8.370 nan 0.000 0.456 118 F N 1.377 121.461 119.950 0.223 0.000 2.091 118 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 118 F C 2.056 178.103 175.800 0.412 0.000 1.103 118 F CA 1.331 59.502 58.000 0.285 0.000 1.228 118 F CB -0.517 38.635 39.000 0.253 0.000 0.984 118 F HN -0.080 nan 8.300 nan 0.000 0.477 119 L N -0.010 121.379 121.223 0.277 0.000 2.083 119 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 119 L C 2.498 179.650 176.870 0.470 0.000 1.083 119 L CA 1.609 56.682 54.840 0.389 0.000 0.752 119 L CB -0.697 41.723 42.059 0.602 0.000 0.899 119 L HN 0.122 nan 8.230 nan 0.000 0.433 120 K N 1.184 121.811 120.400 0.380 0.000 2.057 120 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 120 K C 2.170 178.720 176.600 -0.083 0.000 1.049 120 K CA 1.736 58.020 56.287 -0.006 0.000 0.931 120 K CB -0.182 32.154 32.500 -0.274 0.000 0.714 120 K HN 0.305 nan 8.250 nan 0.000 0.440 121 R N -1.457 118.958 120.500 -0.143 0.000 2.153 121 R HA -0.078 4.262 4.340 -0.000 0.000 0.218 121 R C 1.379 177.320 176.300 -0.598 0.000 1.072 121 R CA 1.358 57.252 56.100 -0.343 0.000 0.990 121 R CB -0.449 29.648 30.300 -0.339 0.000 0.889 121 R HN 0.225 nan 8.270 nan 0.000 0.452 122 Y N -0.725 119.367 120.300 -0.346 0.000 2.503 122 Y HA 0.243 4.793 4.550 -0.000 0.000 0.278 122 Y C 0.235 175.618 175.900 -0.861 0.000 1.111 122 Y CA 0.066 57.782 58.100 -0.639 0.000 1.270 122 Y CB 0.561 38.484 38.460 -0.894 0.000 1.063 122 Y HN -0.060 nan 8.280 nan 0.000 0.548 123 F N 0.655 120.650 119.950 0.073 0.000 2.679 123 F HA 0.354 4.881 4.527 -0.000 0.000 0.354 123 F C -1.792 174.090 175.800 0.138 0.000 1.423 123 F CA -2.241 55.835 58.000 0.127 0.000 1.141 123 F CB 0.523 39.630 39.000 0.179 0.000 1.168 123 F HN -0.126 nan 8.300 nan 0.000 0.530 124 P HA -0.192 nan 4.420 nan 0.000 0.220 124 P C 0.779 178.131 177.300 0.087 0.000 1.144 124 P CA 1.580 64.694 63.100 0.023 0.000 0.800 124 P CB 0.427 32.096 31.700 -0.052 0.000 0.772 125 E N -0.803 119.495 120.200 0.163 0.000 2.460 125 E HA 0.123 4.473 4.350 -0.000 0.000 0.200 125 E C 1.037 177.786 176.600 0.249 0.000 1.011 125 E CA 0.079 56.579 56.400 0.167 0.000 0.912 125 E CB -0.114 29.666 29.700 0.132 0.000 0.953 125 E HN 0.182 nan 8.360 nan 0.000 0.494 134 W N 3.857 125.100 121.300 -0.096 0.000 2.573 134 W HA 0.822 5.482 4.660 -0.000 0.000 0.326 134 W C -0.739 175.847 176.519 0.111 0.000 1.049 134 W CA -0.673 56.704 57.345 0.053 0.000 1.220 134 W CB 2.170 31.734 29.460 0.174 0.000 1.373 134 W HN 0.386 nan 8.180 nan 0.000 0.507 135 V N 2.318 122.302 119.914 0.117 0.000 2.876 135 V HA 0.222 4.342 4.120 -0.000 0.000 0.312 135 V C 0.157 175.830 176.094 -0.702 0.000 1.085 135 V CA -0.707 61.515 62.300 -0.130 0.000 0.945 135 V CB 2.395 34.146 31.823 -0.120 0.000 1.017 135 V HN 0.566 nan 8.190 nan 0.000 0.428 136 S N 1.784 117.017 115.700 -0.778 0.000 2.562 136 S HA 0.157 4.627 4.470 -0.000 0.000 0.281 136 S C -0.275 174.103 174.600 -0.370 0.000 1.333 136 S CA -0.316 57.312 58.200 -0.952 0.000 1.052 136 S CB 0.749 63.586 63.200 -0.604 0.000 0.884 136 S HN 0.766 nan 8.310 nan 0.000 0.506 137 D N 3.693 123.964 120.400 -0.215 0.000 2.441 137 D HA 0.429 5.069 4.640 -0.000 0.000 0.221 137 D C -1.950 174.413 176.300 0.105 0.000 1.156 137 D CA -1.809 52.187 54.000 -0.006 0.000 0.896 137 D CB 0.699 41.533 40.800 0.056 0.000 1.028 137 D HN 0.390 nan 8.370 nan 0.000 0.509 138 P HA 0.390 nan 4.420 nan 0.000 0.289 138 P C -0.682 176.628 177.300 0.015 0.000 1.300 138 P CA -0.574 62.537 63.100 0.018 0.000 0.828 138 P CB 2.019 33.741 31.700 0.037 0.000 1.235 139 T N -1.514 113.053 114.554 0.020 0.000 2.864 139 T HA 0.342 4.692 4.350 -0.000 0.000 0.299 139 T C -1.666 173.060 174.700 0.044 0.000 1.166 139 T CA -0.453 61.688 62.100 0.067 0.000 1.007 139 T CB 0.276 69.305 68.868 0.269 0.000 1.219 139 T HN 0.366 nan 8.240 nan 0.000 0.506 140 W N 3.847 125.000 121.300 -0.246 0.000 2.513 140 W HA 0.054 4.714 4.660 0.000 0.000 0.339 140 W C 1.497 177.886 176.519 -0.217 0.000 1.257 140 W CA 0.149 57.305 57.345 -0.314 0.000 1.280 140 W CB 0.198 29.347 29.460 -0.519 0.000 1.214 140 W HN 0.788 nan 8.180 nan 0.000 0.567 141 E N 3.949 123.936 120.200 -0.355 0.000 2.118 141 E HA -0.314 4.036 4.350 -0.000 0.000 0.195 141 E C 1.455 177.798 176.600 -0.430 0.000 0.992 141 E CA 2.086 58.303 56.400 -0.303 0.000 0.804 141 E CB -0.008 29.562 29.700 -0.216 0.000 0.741 141 E HN 0.682 nan 8.360 nan 0.000 0.458 142 N N -0.218 117.923 118.700 -0.931 0.000 2.258 142 N HA -0.161 4.579 4.740 -0.000 0.000 0.187 142 N C 1.569 176.862 175.510 -0.362 0.000 1.012 142 N CA 1.198 53.727 53.050 -0.868 0.000 0.870 142 N CB -0.560 36.943 38.487 -1.640 0.000 0.977 142 N HN 0.450 nan 8.380 nan 0.000 0.434 143 H N -0.305 118.625 119.070 -0.234 0.000 2.265 143 H HA -0.115 4.441 4.556 -0.000 0.000 0.295 143 H C 1.818 177.211 175.328 0.109 0.000 1.084 143 H CA 1.516 57.620 56.048 0.093 0.000 1.261 143 H CB -0.031 29.808 29.762 0.128 0.000 1.360 143 H HN 0.004 nan 8.280 nan 0.000 0.487 144 V N 0.963 120.961 119.914 0.140 0.000 2.287 144 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 144 V C 2.700 178.831 176.094 0.062 0.000 1.053 144 V CA 1.685 64.033 62.300 0.079 0.000 1.027 144 V CB -1.026 30.803 31.823 0.011 0.000 0.646 144 V HN 0.549 nan 8.190 nan 0.000 0.447 145 A N -0.084 122.727 122.820 -0.016 0.000 1.902 145 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 145 A C 2.213 179.785 177.584 -0.020 0.000 1.181 145 A CA 2.069 54.080 52.037 -0.043 0.000 0.623 145 A CB -0.530 18.404 19.000 -0.110 0.000 0.818 145 A HN 0.508 nan 8.150 nan 0.000 0.443 146 I N -2.126 118.434 120.570 -0.017 0.000 2.163 146 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 146 I C 2.303 178.377 176.117 -0.072 0.000 1.081 146 I CA 1.385 62.643 61.300 -0.070 0.000 1.353 146 I CB -0.353 37.576 38.000 -0.118 0.000 1.054 146 I HN 0.313 nan 8.210 nan 0.000 0.407 147 F N 0.723 120.699 119.950 0.043 0.000 2.146 147 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 147 F C 2.593 178.516 175.800 0.206 0.000 1.096 147 F CA 1.341 59.425 58.000 0.140 0.000 1.275 147 F CB -0.705 38.285 39.000 -0.016 0.000 1.008 147 F HN -0.014 nan 8.300 nan 0.000 0.480 148 A N 0.241 123.208 122.820 0.245 0.000 1.933 148 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 148 A C 2.532 180.159 177.584 0.071 0.000 1.175 148 A CA 1.751 53.870 52.037 0.138 0.000 0.628 148 A CB -1.642 17.400 19.000 0.070 0.000 0.814 148 A HN 0.409 nan 8.150 nan 0.000 0.444 149 G N -0.660 108.163 108.800 0.038 0.000 2.450 149 G HA2 0.017 3.977 3.960 -0.000 0.000 0.220 149 G HA3 0.017 3.977 3.960 -0.000 0.000 0.220 149 G C 1.509 176.399 174.900 -0.016 0.000 1.130 149 G CA 1.230 46.325 45.100 -0.008 0.000 0.760 149 G HN 0.858 nan 8.290 nan 0.000 0.557 150 A N -0.655 122.175 122.820 0.016 0.000 2.208 150 A HA 0.475 4.795 4.320 -0.000 0.000 0.209 150 A C 1.918 179.385 177.584 -0.196 0.000 1.161 150 A CA 1.365 53.385 52.037 -0.029 0.000 0.782 150 A CB -0.243 18.813 19.000 0.093 0.000 0.816 150 A HN 1.585 nan 8.150 nan 0.000 0.477 151 G N -2.253 106.459 108.800 -0.146 0.000 2.154 151 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.186 151 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.186 151 G C 0.029 174.761 174.900 -0.280 0.000 1.000 151 G CA -0.089 44.881 45.100 -0.216 0.000 0.664 151 G HN 0.282 nan 8.290 nan 0.000 0.513 155 V N 2.957 122.779 119.914 -0.154 0.000 2.577 155 V HA 0.758 4.878 4.120 -0.000 0.000 0.303 155 V C -0.370 175.537 176.094 -0.312 0.000 1.042 155 V CA -0.595 61.567 62.300 -0.230 0.000 0.872 155 V CB 1.883 33.649 31.823 -0.095 0.000 0.998 155 V HN 0.699 nan 8.190 nan 0.000 0.423 156 S N 1.916 117.306 115.700 -0.516 0.000 2.745 156 S HA 0.830 5.300 4.470 -0.000 0.000 0.306 156 S C -0.050 174.394 174.600 -0.259 0.000 1.137 156 S CA -0.698 57.230 58.200 -0.453 0.000 0.900 156 S CB 2.277 65.002 63.200 -0.790 0.000 1.176 156 S HN 0.929 nan 8.310 nan 0.000 0.520 157 T N -0.270 114.242 114.554 -0.070 0.000 2.940 157 T HA 0.751 5.101 4.350 -0.000 0.000 0.288 157 T C -1.015 173.824 174.700 0.232 0.000 1.033 157 T CA -0.728 61.369 62.100 -0.005 0.000 1.033 157 T CB 0.737 69.584 68.868 -0.035 0.000 1.079 157 T HN 0.631 nan 8.240 nan 0.000 0.496 158 Y N -1.431 119.024 120.300 0.259 0.000 2.509 158 Y HA 0.779 5.329 4.550 -0.000 0.000 0.341 158 Y C -3.095 172.933 175.900 0.212 0.000 1.038 158 Y CA -3.619 54.624 58.100 0.239 0.000 1.089 158 Y CB 0.244 38.836 38.460 0.220 0.000 1.241 158 Y HN 0.378 nan 8.280 nan 0.000 0.468 159 P HA -0.062 nan 4.420 nan 0.000 0.268 159 P C -0.483 177.064 177.300 0.412 0.000 1.208 159 P CA 0.263 63.514 63.100 0.251 0.000 0.777 159 P CB 0.878 32.664 31.700 0.145 0.000 0.875 160 W N 2.276 123.602 121.300 0.043 0.000 4.548 160 W HA 0.123 4.783 4.660 -0.000 0.000 0.165 160 W C -0.573 175.936 176.519 -0.017 0.000 3.454 160 W CA 0.045 57.398 57.345 0.014 0.000 1.250 160 W CB -0.428 28.997 29.460 -0.057 0.000 2.050 160 W HN 0.110 nan 8.180 nan 0.000 0.444 161 Y N 4.226 124.602 120.300 0.127 0.000 2.465 161 Y HA 0.147 4.697 4.550 -0.000 0.000 0.331 161 Y C -0.105 175.787 175.900 -0.014 0.000 1.102 161 Y CA 0.922 59.020 58.100 -0.003 0.000 1.358 161 Y CB 0.338 38.820 38.460 0.037 0.000 1.213 161 Y HN -0.146 nan 8.280 nan 0.000 0.525 162 D N 5.275 125.302 120.400 -0.622 0.000 2.317 162 D HA 0.096 4.736 4.640 -0.000 0.000 0.234 162 D C 0.411 176.410 176.300 -0.502 0.000 1.112 162 D CA -0.086 53.659 54.000 -0.426 0.000 0.840 162 D CB 1.129 41.719 40.800 -0.349 0.000 1.078 162 D HN 0.762 nan 8.370 nan 0.000 0.486 163 E N 2.100 122.199 120.200 -0.169 0.000 2.274 163 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 163 E C 1.561 178.090 176.600 -0.118 0.000 0.996 163 E CA 0.628 56.999 56.400 -0.049 0.000 0.840 163 E CB 0.277 30.018 29.700 0.068 0.000 0.772 163 E HN 0.594 nan 8.360 nan 0.000 0.491 164 A N 0.687 123.422 122.820 -0.141 0.000 1.897 164 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 164 A C 2.348 179.830 177.584 -0.171 0.000 1.181 164 A CA 1.844 53.803 52.037 -0.131 0.000 0.620 164 A CB -0.440 18.498 19.000 -0.104 0.000 0.821 164 A HN 0.349 nan 8.150 nan 0.000 0.443 165 T N -4.839 109.585 114.554 -0.217 0.000 2.990 165 T HA 0.152 4.502 4.350 -0.000 0.000 0.250 165 T C 0.506 175.058 174.700 -0.246 0.000 1.041 165 T CA 0.697 62.674 62.100 -0.205 0.000 1.010 165 T CB -0.484 68.277 68.868 -0.179 0.000 1.003 165 T HN 0.549 nan 8.240 nan 0.000 0.499 166 N N 0.792 119.264 118.700 -0.381 0.000 2.776 166 N HA -0.112 4.627 4.740 -0.000 0.000 0.250 166 N C 0.294 175.680 175.510 -0.205 0.000 1.112 166 N CA 0.431 53.288 53.050 -0.321 0.000 0.733 166 N CB -1.311 37.009 38.487 -0.279 0.000 1.097 166 N HN 0.780 nan 8.380 nan 0.000 0.558 167 G N -1.262 107.313 108.800 -0.376 0.000 3.262 167 G HA2 0.737 4.697 3.960 -0.000 0.000 0.229 167 G HA3 0.737 4.697 3.960 -0.000 0.000 0.229 167 G C -0.720 173.924 174.900 -0.426 0.000 1.280 167 G CA -0.430 44.510 45.100 -0.267 0.000 0.951 167 G HN 0.087 nan 8.290 nan 0.000 0.589 168 V N 0.444 120.106 119.914 -0.421 0.000 2.539 168 V HA 0.378 4.498 4.120 -0.000 0.000 0.292 168 V C 0.158 176.019 176.094 -0.389 0.000 1.045 168 V CA -0.649 61.285 62.300 -0.610 0.000 0.945 168 V CB 1.514 32.790 31.823 -0.912 0.000 0.993 168 V HN 0.587 nan 8.190 nan 0.000 0.464 169 R N 3.196 123.488 120.500 -0.346 0.000 3.266 169 R HA 0.188 4.528 4.340 -0.000 0.000 0.224 169 R C 0.559 176.769 176.300 -0.150 0.000 1.525 169 R CA -0.098 55.889 56.100 -0.187 0.000 1.364 169 R CB -0.127 30.096 30.300 -0.128 0.000 1.276 169 R HN 0.809 nan 8.270 nan 0.000 0.660 170 F N 2.771 122.567 119.950 -0.258 0.000 2.053 170 F HA -0.166 4.361 4.527 -0.000 0.000 0.292 170 F C 1.453 177.160 175.800 -0.155 0.000 1.125 170 F CA 1.697 59.551 58.000 -0.244 0.000 1.193 170 F CB -0.021 38.830 39.000 -0.249 0.000 0.996 170 F HN 0.342 nan 8.300 nan 0.000 0.470 171 N N 0.295 118.857 118.700 -0.231 0.000 2.096 171 N HA -0.274 4.466 4.740 -0.000 0.000 0.195 171 N C 1.325 176.667 175.510 -0.280 0.000 1.017 171 N CA 1.745 54.627 53.050 -0.280 0.000 0.870 171 N CB -0.306 38.132 38.487 -0.083 0.000 1.024 171 N HN 0.351 nan 8.380 nan 0.000 0.434 172 D N 0.271 120.557 120.400 -0.190 0.000 2.183 172 D HA -0.074 4.566 4.640 -0.000 0.000 0.203 172 D C 1.964 178.192 176.300 -0.120 0.000 0.969 172 D CA 0.424 54.352 54.000 -0.119 0.000 0.842 172 D CB -0.138 40.623 40.800 -0.064 0.000 0.957 172 D HN 0.184 nan 8.370 nan 0.000 0.484 173 L N 0.713 121.828 121.223 -0.179 0.000 2.027 173 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 173 L C 2.200 178.930 176.870 -0.233 0.000 1.074 173 L CA 1.267 56.028 54.840 -0.132 0.000 0.745 173 L CB -0.579 41.418 42.059 -0.103 0.000 0.898 173 L HN -0.043 nan 8.230 nan 0.000 0.433 174 L N 0.025 120.996 121.223 -0.420 0.000 1.997 174 L HA -0.312 4.028 4.340 -0.000 0.000 0.216 174 L C 2.781 179.522 176.870 -0.214 0.000 1.074 174 L CA 1.747 56.369 54.840 -0.362 0.000 0.763 174 L CB -1.425 40.353 42.059 -0.469 0.000 0.890 174 L HN 0.465 nan 8.230 nan 0.000 0.434 175 A N -0.463 122.248 122.820 -0.182 0.000 1.908 175 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 175 A C 2.344 179.872 177.584 -0.093 0.000 1.181 175 A CA 2.559 54.526 52.037 -0.116 0.000 0.627 175 A CB -1.000 17.945 19.000 -0.090 0.000 0.818 175 A HN 0.456 nan 8.150 nan 0.000 0.445 176 T N 0.290 114.796 114.554 -0.079 0.000 2.821 176 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 176 T C 1.782 176.407 174.700 -0.126 0.000 1.046 176 T CA 1.400 63.469 62.100 -0.051 0.000 1.139 176 T CB -0.340 68.552 68.868 0.039 0.000 0.871 176 T HN 0.373 nan 8.240 nan 0.000 0.454 177 L N 0.480 121.612 121.223 -0.152 0.000 2.056 177 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 177 L C 2.504 179.272 176.870 -0.170 0.000 1.078 177 L CA 1.230 55.953 54.840 -0.194 0.000 0.749 177 L CB -0.453 41.499 42.059 -0.177 0.000 0.901 177 L HN 0.156 nan 8.230 nan 0.000 0.433 178 K N -0.456 119.864 120.400 -0.133 0.000 2.442 178 K HA -0.157 4.163 4.320 -0.000 0.000 0.199 178 K C 1.663 178.200 176.600 -0.104 0.000 1.044 178 K CA 1.635 57.858 56.287 -0.106 0.000 0.941 178 K CB -0.238 32.209 32.500 -0.088 0.000 0.759 178 K HN 0.471 nan 8.250 nan 0.000 0.472 179 T N -2.205 112.273 114.554 -0.126 0.000 3.054 179 T HA 0.218 4.568 4.350 -0.000 0.000 0.255 179 T C 0.363 174.961 174.700 -0.170 0.000 1.035 179 T CA -0.407 61.626 62.100 -0.112 0.000 0.941 179 T CB 0.053 68.878 68.868 -0.071 0.000 1.026 179 T HN -0.086 nan 8.240 nan 0.000 0.533 180 L N 2.257 123.324 121.223 -0.260 0.000 2.276 180 L HA 0.430 4.770 4.340 -0.000 0.000 0.286 180 L C 0.679 177.403 176.870 -0.243 0.000 1.061 180 L CA -0.889 53.712 54.840 -0.399 0.000 0.807 180 L CB 1.167 42.845 42.059 -0.634 0.000 1.177 180 L HN 0.217 nan 8.230 nan 0.000 0.429 181 Q N 1.544 121.238 119.800 -0.177 0.000 2.428 181 Q HA 0.188 4.528 4.340 -0.000 0.000 0.276 181 Q C 0.145 176.096 176.000 -0.082 0.000 1.059 181 Q CA -0.274 55.483 55.803 -0.076 0.000 0.923 181 Q CB 1.154 29.892 28.738 0.001 0.000 1.283 181 Q HN 0.766 nan 8.270 nan 0.000 0.447 182 A N 0.941 123.736 122.820 -0.041 0.000 2.520 182 A HA 0.355 4.675 4.320 -0.000 0.000 0.235 182 A C 1.117 178.694 177.584 -0.013 0.000 1.065 182 A CA 0.798 52.815 52.037 -0.033 0.000 0.764 182 A CB -0.326 18.670 19.000 -0.006 0.000 1.002 182 A HN 1.032 nan 8.150 nan 0.000 0.502 183 G N 0.878 109.648 108.800 -0.049 0.000 2.195 183 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.246 183 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.246 183 G C 0.544 175.403 174.900 -0.068 0.000 0.984 183 G CA 0.386 45.438 45.100 -0.079 0.000 0.633 183 G HN 1.274 nan 8.290 nan 0.000 0.525 184 S N 0.334 116.008 115.700 -0.043 0.000 2.549 184 S HA 0.489 4.959 4.470 -0.000 0.000 0.283 184 S C 0.530 175.134 174.600 0.007 0.000 1.320 184 S CA 0.164 58.377 58.200 0.021 0.000 1.058 184 S CB 0.886 63.927 63.200 -0.264 0.000 0.882 184 S HN 0.398 nan 8.310 nan 0.000 0.498 185 I N 3.209 123.844 120.570 0.108 0.000 2.307 185 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 185 I C -0.701 175.455 176.117 0.066 0.000 1.021 185 I CA -0.501 60.806 61.300 0.013 0.000 1.224 185 I CB 1.120 39.053 38.000 -0.113 0.000 1.376 185 I HN 0.239 nan 8.210 nan 0.000 0.470 186 V N 7.639 127.584 119.914 0.051 0.000 2.294 186 V HA 0.259 4.379 4.120 -0.000 0.000 0.272 186 V C 0.116 176.259 176.094 0.082 0.000 1.027 186 V CA -0.538 61.813 62.300 0.086 0.000 0.823 186 V CB 1.487 33.297 31.823 -0.021 0.000 1.030 186 V HN 0.550 nan 8.190 nan 0.000 0.457 187 L N 6.977 128.237 121.223 0.061 0.000 2.278 187 L HA 0.539 4.879 4.340 -0.000 0.000 0.287 187 L C -0.952 176.000 176.870 0.136 0.000 1.072 187 L CA -0.037 54.759 54.840 -0.073 0.000 0.819 187 L CB 0.690 42.466 42.059 -0.473 0.000 1.176 187 L HN 0.551 nan 8.230 nan 0.000 0.435 188 L N 4.702 126.005 121.223 0.134 0.000 2.370 188 L HA 0.462 4.802 4.340 -0.000 0.000 0.266 188 L C -0.510 176.501 176.870 0.235 0.000 1.002 188 L CA -0.775 54.244 54.840 0.298 0.000 0.818 188 L CB 2.078 44.350 42.059 0.355 0.000 1.325 188 L HN 0.501 nan 8.230 nan 0.000 0.418 189 H N 2.980 122.216 119.070 0.276 0.000 2.724 189 H HA 0.164 4.720 4.556 -0.000 0.000 0.278 189 H C -1.708 173.891 175.328 0.451 0.000 1.159 189 H CA -1.720 54.508 56.048 0.300 0.000 1.254 189 H CB 1.279 31.230 29.762 0.314 0.000 1.412 189 H HN 0.376 nan 8.280 nan 0.000 0.488 190 P HA -0.108 nan 4.420 nan 0.000 0.223 190 P C 0.504 178.042 177.300 0.397 0.000 1.144 190 P CA 0.712 63.905 63.100 0.155 0.000 0.783 190 P CB 0.172 31.802 31.700 -0.117 0.000 0.771 191 C N -4.960 114.599 119.300 0.431 0.000 3.231 191 C HA 0.434 4.894 4.460 -0.000 0.000 0.343 191 C C 0.003 175.245 174.990 0.420 0.000 1.349 191 C CA -0.733 58.539 59.018 0.425 0.000 1.209 191 C CB 0.454 28.371 27.740 0.296 0.000 1.475 191 C HN 0.226 nan 8.230 nan 0.000 0.460 192 C N 2.003 121.523 119.300 0.367 0.000 4.167 192 C HA -0.137 4.323 4.460 -0.000 0.000 0.302 192 C C 0.723 175.905 174.990 0.320 0.000 1.384 192 C CA 1.239 60.435 59.018 0.297 0.000 2.041 192 C CB -3.468 24.425 27.740 0.256 0.000 1.303 192 C HN 1.209 nan 8.230 nan 0.000 0.718 193 H N 1.448 120.681 119.070 0.272 0.000 3.152 193 H HA 0.025 4.581 4.556 -0.000 0.000 0.319 193 H C 0.503 175.881 175.328 0.083 0.000 0.994 193 H CA 1.470 57.589 56.048 0.118 0.000 1.370 193 H CB 0.487 30.278 29.762 0.048 0.000 1.322 193 H HN 0.677 nan 8.280 nan 0.000 0.590 194 N N 6.043 124.396 118.700 -0.577 0.000 2.442 194 N HA 0.179 4.919 4.740 -0.000 0.000 0.274 194 N C -2.354 172.738 175.510 -0.697 0.000 1.002 194 N CA -2.201 50.571 53.050 -0.464 0.000 0.910 194 N CB 1.837 40.197 38.487 -0.212 0.000 1.244 194 N HN 0.356 nan 8.380 nan 0.000 0.492 195 P HA 0.151 nan 4.420 nan 0.000 0.275 195 P C 0.600 177.784 177.300 -0.193 0.000 1.310 195 P CA 0.250 63.106 63.100 -0.405 0.000 0.904 195 P CB 0.385 31.973 31.700 -0.187 0.000 1.381 196 T N -5.131 109.346 114.554 -0.130 0.000 3.037 196 T HA 0.258 4.608 4.350 -0.000 0.000 0.251 196 T C 1.707 176.529 174.700 0.203 0.000 1.079 196 T CA 0.997 62.977 62.100 -0.199 0.000 1.067 196 T CB -1.072 67.534 68.868 -0.437 0.000 0.948 196 T HN 0.126 nan 8.240 nan 0.000 0.496 197 G N 1.665 110.649 108.800 0.307 0.000 2.205 197 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.269 197 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.269 197 G C 0.317 175.412 174.900 0.325 0.000 0.977 197 G CA 0.183 45.474 45.100 0.318 0.000 0.652 197 G HN 1.318 nan 8.290 nan 0.000 0.539 198 A N 0.046 123.085 122.820 0.364 0.000 2.354 198 A HA 0.612 4.932 4.320 -0.000 0.000 0.281 198 A C -0.032 177.741 177.584 0.316 0.000 1.174 198 A CA 0.104 52.310 52.037 0.281 0.000 0.828 198 A CB 0.535 19.674 19.000 0.231 0.000 1.099 198 A HN 0.228 nan 8.150 nan 0.000 0.516 199 D N 1.122 121.644 120.400 0.203 0.000 2.477 199 D HA 0.576 5.216 4.640 -0.000 0.000 0.234 199 D C -0.186 176.119 176.300 0.008 0.000 1.048 199 D CA -0.233 53.927 54.000 0.266 0.000 0.959 199 D CB 1.433 42.417 40.800 0.307 0.000 1.408 199 D HN 0.432 nan 8.370 nan 0.000 0.496 200 L N 0.416 121.618 121.223 -0.034 0.000 2.421 200 L HA 0.380 4.720 4.340 -0.000 0.000 0.263 200 L C 1.200 178.002 176.870 -0.113 0.000 1.122 200 L CA -0.580 54.083 54.840 -0.295 0.000 0.804 200 L CB 0.867 42.448 42.059 -0.797 0.000 1.150 200 L HN 0.435 nan 8.230 nan 0.000 0.457 201 T N -2.868 111.572 114.554 -0.190 0.000 2.849 201 T HA 0.147 4.497 4.350 -0.000 0.000 0.284 201 T C 0.919 175.604 174.700 -0.026 0.000 1.004 201 T CA -0.557 61.483 62.100 -0.101 0.000 1.021 201 T CB 0.714 69.483 68.868 -0.164 0.000 1.013 201 T HN 0.594 nan 8.240 nan 0.000 0.527 202 N N 0.801 119.450 118.700 -0.085 0.000 2.060 202 N HA -0.196 4.544 4.740 -0.000 0.000 0.195 202 N C 1.164 176.671 175.510 -0.006 0.000 1.028 202 N CA 1.758 54.656 53.050 -0.253 0.000 0.861 202 N CB -0.214 37.874 38.487 -0.665 0.000 1.029 202 N HN 0.652 nan 8.380 nan 0.000 0.428 203 D N 0.870 121.231 120.400 -0.065 0.000 2.144 203 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 203 D C 1.962 178.241 176.300 -0.035 0.000 0.984 203 D CA 0.959 54.944 54.000 -0.025 0.000 0.834 203 D CB -0.275 40.479 40.800 -0.078 0.000 0.955 203 D HN 0.336 nan 8.370 nan 0.000 0.465 204 Q N -0.863 118.818 119.800 -0.199 0.000 2.135 204 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 204 Q C 2.120 178.145 176.000 0.042 0.000 0.981 204 Q CA 1.157 56.751 55.803 -0.347 0.000 0.856 204 Q CB -0.166 28.144 28.738 -0.714 0.000 0.902 204 Q HN 0.444 nan 8.270 nan 0.000 0.425 205 W N 0.848 122.225 121.300 0.129 0.000 2.363 205 W HA -0.179 4.481 4.660 -0.000 0.000 0.296 205 W C 1.648 178.293 176.519 0.211 0.000 1.212 205 W CA 0.577 58.056 57.345 0.222 0.000 1.260 205 W CB 0.101 29.745 29.460 0.306 0.000 1.131 205 W HN 0.177 nan 8.180 nan 0.000 0.530 206 D N -0.300 120.355 120.400 0.426 0.000 2.178 206 D HA -0.139 4.501 4.640 -0.000 0.000 0.201 206 D C 2.142 178.579 176.300 0.229 0.000 0.980 206 D CA 1.624 55.804 54.000 0.300 0.000 0.842 206 D CB -0.704 40.237 40.800 0.235 0.000 0.948 206 D HN 0.127 nan 8.370 nan 0.000 0.472 207 A N 0.155 123.119 122.820 0.239 0.000 1.970 207 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 207 A C 2.401 180.090 177.584 0.176 0.000 1.170 207 A CA 0.629 52.798 52.037 0.220 0.000 0.645 207 A CB -0.340 18.872 19.000 0.354 0.000 0.816 207 A HN 0.133 nan 8.150 nan 0.000 0.447 208 V N -0.031 120.018 119.914 0.226 0.000 2.407 208 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 208 V C 2.368 178.562 176.094 0.167 0.000 1.041 208 V CA 1.684 64.082 62.300 0.163 0.000 1.040 208 V CB -0.468 31.477 31.823 0.203 0.000 0.671 208 V HN 0.564 nan 8.190 nan 0.000 0.455 209 I N -0.166 120.547 120.570 0.237 0.000 2.226 209 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 209 I C 2.545 178.720 176.117 0.096 0.000 1.100 209 I CA 1.670 63.073 61.300 0.173 0.000 1.374 209 I CB -0.287 37.826 38.000 0.188 0.000 1.057 209 I HN 0.397 nan 8.210 nan 0.000 0.413 210 E N 0.913 121.170 120.200 0.094 0.000 2.070 210 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 210 E C 2.238 178.855 176.600 0.028 0.000 1.004 210 E CA 1.538 57.973 56.400 0.057 0.000 0.805 210 E CB -0.024 29.712 29.700 0.062 0.000 0.744 210 E HN 0.488 nan 8.360 nan 0.000 0.451 211 I N 0.480 121.060 120.570 0.018 0.000 2.286 211 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 211 I C 2.288 178.388 176.117 -0.028 0.000 1.104 211 I CA 0.716 62.005 61.300 -0.018 0.000 1.397 211 I CB -0.243 37.729 38.000 -0.047 0.000 1.072 211 I HN 0.120 nan 8.210 nan 0.000 0.417 212 L N 0.819 122.034 121.223 -0.013 0.000 2.017 212 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 212 L C 2.663 179.520 176.870 -0.022 0.000 1.073 212 L CA 1.571 56.396 54.840 -0.025 0.000 0.745 212 L CB -0.680 41.381 42.059 0.003 0.000 0.894 212 L HN 0.216 nan 8.230 nan 0.000 0.432 213 K N 0.470 120.869 120.400 -0.002 0.000 2.002 213 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 213 K C 2.211 178.805 176.600 -0.009 0.000 1.048 213 K CA 1.500 57.786 56.287 -0.002 0.000 0.930 213 K CB -0.196 32.311 32.500 0.011 0.000 0.714 213 K HN 0.239 nan 8.250 nan 0.000 0.438 214 A N 1.581 124.396 122.820 -0.008 0.000 1.883 214 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 214 A C 1.940 179.510 177.584 -0.023 0.000 1.186 214 A CA 1.658 53.688 52.037 -0.012 0.000 0.624 214 A CB -0.486 18.508 19.000 -0.011 0.000 0.822 214 A HN 0.391 nan 8.150 nan 0.000 0.444 215 R N -0.526 119.952 120.500 -0.037 0.000 2.310 215 R HA 0.134 4.474 4.340 -0.000 0.000 0.202 215 R C -0.548 175.723 176.300 -0.049 0.000 0.933 215 R CA 0.433 56.503 56.100 -0.050 0.000 1.054 215 R CB -0.133 30.121 30.300 -0.077 0.000 0.985 215 R HN 0.624 nan 8.270 nan 0.000 0.489 216 E N 1.147 121.324 120.200 -0.038 0.000 2.230 216 E HA -0.202 4.148 4.350 -0.000 0.000 0.206 216 E C -0.771 175.792 176.600 -0.063 0.000 1.309 216 E CA 0.205 56.582 56.400 -0.037 0.000 0.697 216 E CB -1.323 28.366 29.700 -0.019 0.000 1.146 216 E HN 0.348 nan 8.360 nan 0.000 0.363 217 L N 0.335 121.513 121.223 -0.074 0.000 2.431 217 L HA 0.504 4.844 4.340 -0.000 0.000 0.260 217 L C 0.931 177.746 176.870 -0.092 0.000 1.098 217 L CA -1.050 53.732 54.840 -0.097 0.000 0.800 217 L CB 0.738 42.728 42.059 -0.114 0.000 1.210 217 L HN 0.131 nan 8.230 nan 0.000 0.465 218 I N 1.916 122.425 120.570 -0.102 0.000 2.310 218 I HA 0.260 4.430 4.170 -0.000 0.000 0.287 218 I C -2.308 173.791 176.117 -0.029 0.000 1.073 218 I CA -1.769 59.474 61.300 -0.094 0.000 1.216 218 I CB 0.713 38.619 38.000 -0.158 0.000 1.415 218 I HN 0.151 nan 8.210 nan 0.000 0.480 219 P HA 0.070 nan 4.420 nan 0.000 0.267 219 P C -0.832 176.492 177.300 0.040 0.000 1.205 219 P CA 0.379 63.490 63.100 0.018 0.000 0.765 219 P CB 0.240 31.940 31.700 -0.001 0.000 0.828 220 F N 4.457 124.383 119.950 -0.040 0.000 2.403 220 F HA 0.380 4.907 4.527 -0.000 0.000 0.355 220 F C -0.810 174.962 175.800 -0.047 0.000 1.119 220 F CA -1.124 56.860 58.000 -0.027 0.000 1.007 220 F CB 0.756 39.738 39.000 -0.030 0.000 1.194 220 F HN 0.038 nan 8.300 nan 0.000 0.443 221 L N 5.078 126.442 121.223 0.235 0.000 2.282 221 L HA 0.332 4.672 4.340 -0.000 0.000 0.288 221 L C -0.590 176.367 176.870 0.145 0.000 1.033 221 L CA -0.368 54.539 54.840 0.112 0.000 0.807 221 L CB 1.078 43.111 42.059 -0.044 0.000 1.209 221 L HN 0.426 nan 8.230 nan 0.000 0.423 222 D N 3.825 124.258 120.400 0.055 0.000 2.427 222 D HA 0.294 4.934 4.640 -0.000 0.000 0.226 222 D C -0.897 175.375 176.300 -0.047 0.000 1.076 222 D CA -0.172 53.835 54.000 0.011 0.000 0.849 222 D CB 0.958 41.745 40.800 -0.022 0.000 1.052 222 D HN 0.438 nan 8.370 nan 0.000 0.515 223 I N 3.304 123.827 120.570 -0.079 0.000 2.371 223 I HA 0.456 4.626 4.170 -0.000 0.000 0.282 223 I C 0.340 176.319 176.117 -0.229 0.000 1.031 223 I CA -0.337 60.902 61.300 -0.102 0.000 1.180 223 I CB 1.014 38.949 38.000 -0.108 0.000 1.336 223 I HN 0.489 nan 8.210 nan 0.000 0.467 224 A N 5.948 128.578 122.820 -0.316 0.000 2.348 224 A HA 0.214 4.534 4.320 -0.000 0.000 0.224 224 A C 0.216 177.211 177.584 -0.983 0.000 1.227 224 A CA 0.314 51.928 52.037 -0.705 0.000 0.885 224 A CB 0.017 18.448 19.000 -0.947 0.000 0.933 224 A HN 0.768 nan 8.150 nan 0.000 0.506 225 Y N -0.364 119.842 120.300 -0.157 0.000 2.696 225 Y HA 0.300 4.850 4.550 -0.000 0.000 0.255 225 Y C 0.502 176.263 175.900 -0.232 0.000 1.103 225 Y CA -0.867 57.077 58.100 -0.261 0.000 1.126 225 Y CB -0.166 38.283 38.460 -0.020 0.000 1.197 225 Y HN 0.288 nan 8.280 nan 0.000 0.574 226 Q N 1.250 120.985 119.800 -0.108 0.000 2.262 226 Q HA 0.265 4.605 4.340 -0.000 0.000 0.298 226 Q C 1.121 177.070 176.000 -0.086 0.000 1.083 226 Q CA 1.726 57.501 55.803 -0.046 0.000 0.962 226 Q CB 0.252 28.965 28.738 -0.041 0.000 1.104 226 Q HN 0.879 nan 8.270 nan 0.000 0.376 227 G N 3.404 112.207 108.800 0.005 0.000 2.218 227 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 227 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 227 G C 0.360 175.434 174.900 0.291 0.000 0.994 227 G CA 0.007 45.126 45.100 0.031 0.000 0.637 227 G HN 0.691 nan 8.290 nan 0.000 0.505 228 F N 1.046 121.018 119.950 0.036 0.000 2.717 228 F HA 0.296 4.823 4.527 -0.000 0.000 0.295 228 F C 2.393 178.220 175.800 0.046 0.000 1.117 228 F CA 0.198 58.219 58.000 0.036 0.000 1.361 228 F CB 0.551 39.602 39.000 0.086 0.000 1.112 228 F HN 0.319 nan 8.300 nan 0.000 0.594 229 G N 0.483 109.435 108.800 0.254 0.000 2.586 229 G HA2 0.079 4.039 3.960 -0.000 0.000 0.199 229 G HA3 0.079 4.039 3.960 -0.000 0.000 0.199 229 G C 1.469 176.442 174.900 0.122 0.000 1.614 229 G CA 0.712 45.919 45.100 0.178 0.000 0.921 229 G HN 0.213 nan 8.290 nan 0.000 0.428 230 A N -1.396 121.488 122.820 0.107 0.000 2.195 230 A HA 0.597 4.917 4.320 -0.000 0.000 0.210 230 A C 1.086 178.702 177.584 0.054 0.000 1.165 230 A CA 1.407 53.487 52.037 0.071 0.000 0.806 230 A CB -0.204 18.837 19.000 0.067 0.000 0.847 230 A HN 2.007 nan 8.150 nan 0.000 0.482 234 E N 0.914 121.136 120.200 0.036 0.000 2.015 234 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 234 E C 1.531 178.177 176.600 0.076 0.000 0.991 234 E CA 1.928 58.361 56.400 0.055 0.000 0.802 234 E CB -0.149 29.585 29.700 0.057 0.000 0.759 234 E HN 0.581 nan 8.360 nan 0.000 0.447 235 E N 1.193 121.442 120.200 0.082 0.000 2.130 235 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 235 E C 1.668 178.346 176.600 0.130 0.000 0.998 235 E CA 1.319 57.784 56.400 0.109 0.000 0.806 235 E CB -0.125 29.620 29.700 0.075 0.000 0.738 235 E HN 0.180 nan 8.360 nan 0.000 0.459 236 D N -0.466 119.994 120.400 0.101 0.000 2.310 236 D HA -0.049 4.591 4.640 -0.000 0.000 0.212 236 D C 1.266 177.606 176.300 0.067 0.000 0.965 236 D CA 1.095 55.160 54.000 0.108 0.000 0.879 236 D CB -0.027 40.831 40.800 0.097 0.000 0.921 236 D HN 0.222 nan 8.370 nan 0.000 0.510 237 A N -0.606 122.233 122.820 0.032 0.000 2.275 237 A HA 0.004 4.324 4.320 -0.000 0.000 0.212 237 A C 1.657 179.194 177.584 -0.077 0.000 1.201 237 A CA -0.253 51.746 52.037 -0.063 0.000 0.843 237 A CB -0.489 18.452 19.000 -0.098 0.000 0.873 237 A HN 0.191 nan 8.150 nan 0.000 0.492 238 Y N 1.135 121.381 120.300 -0.089 0.000 2.030 238 Y HA -0.389 4.161 4.550 -0.000 0.000 0.272 238 Y C 2.501 178.290 175.900 -0.184 0.000 1.185 238 Y CA 2.280 60.332 58.100 -0.080 0.000 1.120 238 Y CB -0.508 37.944 38.460 -0.014 0.000 0.955 238 Y HN 0.340 nan 8.280 nan 0.000 0.495 239 A N -0.203 122.438 122.820 -0.298 0.000 2.024 239 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 239 A C 2.270 179.566 177.584 -0.481 0.000 1.164 239 A CA 1.878 53.537 52.037 -0.629 0.000 0.643 239 A CB -1.071 17.061 19.000 -1.448 0.000 0.806 239 A HN 0.646 nan 8.150 nan 0.000 0.451 240 I N -0.639 119.693 120.570 -0.398 0.000 2.277 240 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 240 I C 2.567 178.504 176.117 -0.301 0.000 1.094 240 I CA 0.902 61.976 61.300 -0.376 0.000 1.393 240 I CB -0.267 37.439 38.000 -0.490 0.000 1.078 240 I HN 0.290 nan 8.210 nan 0.000 0.417 241 R N 1.367 121.703 120.500 -0.273 0.000 2.092 241 R HA -0.001 4.339 4.340 -0.000 0.000 0.231 241 R C 2.283 178.552 176.300 -0.052 0.000 1.119 241 R CA 1.398 57.453 56.100 -0.075 0.000 0.970 241 R CB -0.913 29.399 30.300 0.020 0.000 0.864 241 R HN 0.308 nan 8.270 nan 0.000 0.440 242 A N 1.939 124.563 122.820 -0.327 0.000 1.902 242 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 242 A C 2.286 179.799 177.584 -0.118 0.000 1.181 242 A CA 1.060 52.911 52.037 -0.310 0.000 0.623 242 A CB -0.453 18.213 19.000 -0.557 0.000 0.818 242 A HN 0.186 nan 8.150 nan 0.000 0.443 243 I N -0.444 120.054 120.570 -0.120 0.000 2.546 243 I HA -0.200 3.970 4.170 -0.000 0.000 0.255 243 I C 2.837 178.953 176.117 -0.002 0.000 1.163 243 I CA 0.747 62.017 61.300 -0.051 0.000 1.457 243 I CB -0.202 37.754 38.000 -0.073 0.000 1.092 243 I HN 0.361 nan 8.210 nan 0.000 0.434 244 A N 0.239 123.077 122.820 0.029 0.000 1.873 244 A HA -0.153 4.167 4.320 -0.000 0.000 0.215 244 A C 2.416 180.072 177.584 0.121 0.000 1.186 244 A CA 1.849 53.919 52.037 0.056 0.000 0.616 244 A CB -0.647 18.339 19.000 -0.024 0.000 0.823 244 A HN 0.362 nan 8.150 nan 0.000 0.442 245 S N -0.143 115.663 115.700 0.177 0.000 2.500 245 S HA 0.105 4.575 4.470 -0.000 0.000 0.239 245 S C 1.613 176.240 174.600 0.046 0.000 0.989 245 S CA 0.852 59.121 58.200 0.115 0.000 0.951 245 S CB -0.161 63.067 63.200 0.048 0.000 0.759 245 S HN 0.762 nan 8.310 nan 0.000 0.523 246 A N 0.287 123.127 122.820 0.034 0.000 2.387 246 A HA 0.580 4.900 4.320 -0.000 0.000 0.234 246 A C 1.507 179.100 177.584 0.015 0.000 1.253 246 A CA 0.341 52.391 52.037 0.022 0.000 0.894 246 A CB -0.611 18.403 19.000 0.022 0.000 0.963 246 A HN 0.695 nan 8.150 nan 0.000 0.508 247 G N -0.657 108.151 108.800 0.014 0.000 2.187 247 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.261 247 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.261 247 G C 0.118 175.016 174.900 -0.003 0.000 1.000 247 G CA 0.555 45.656 45.100 0.002 0.000 0.718 247 G HN 1.131 nan 8.290 nan 0.000 0.519 248 L N 1.612 122.834 121.223 -0.002 0.000 2.278 248 L HA 0.657 4.997 4.340 -0.000 0.000 0.287 248 L C -1.876 174.984 176.870 -0.016 0.000 1.072 248 L CA -2.616 52.219 54.840 -0.007 0.000 0.819 248 L CB 0.548 42.605 42.059 -0.003 0.000 1.176 248 L HN -0.091 nan 8.230 nan 0.000 0.435 249 P HA 0.507 nan 4.420 nan 0.000 0.271 249 P C -1.164 176.114 177.300 -0.037 0.000 1.216 249 P CA -0.193 62.893 63.100 -0.023 0.000 0.771 249 P CB 1.196 32.892 31.700 -0.007 0.000 0.864 250 A N 2.408 125.197 122.820 -0.051 0.000 2.586 250 A HA 0.715 5.035 4.320 -0.000 0.000 0.290 250 A C -1.990 175.507 177.584 -0.145 0.000 1.086 250 A CA -0.481 51.505 52.037 -0.086 0.000 0.665 250 A CB 0.655 19.614 19.000 -0.068 0.000 1.279 250 A HN 0.347 nan 8.150 nan 0.000 0.423 251 L N -0.107 120.944 121.223 -0.286 0.000 2.354 251 L HA 0.758 5.098 4.340 -0.000 0.000 0.269 251 L C -0.708 175.901 176.870 -0.434 0.000 1.005 251 L CA -0.693 53.844 54.840 -0.505 0.000 0.819 251 L CB 2.111 43.532 42.059 -1.064 0.000 1.311 251 L HN 0.444 nan 8.230 nan 0.000 0.423 252 V N 0.688 120.433 119.914 -0.282 0.000 2.483 252 V HA 0.532 4.652 4.120 -0.000 0.000 0.297 252 V C -0.310 175.777 176.094 -0.012 0.000 1.027 252 V CA -0.683 61.547 62.300 -0.116 0.000 0.855 252 V CB 1.815 33.549 31.823 -0.147 0.000 0.995 252 V HN 0.825 nan 8.190 nan 0.000 0.424 253 S N 4.378 120.176 115.700 0.164 0.000 2.480 253 S HA 0.645 5.115 4.470 -0.000 0.000 0.286 253 S C -0.453 174.120 174.600 -0.045 0.000 1.180 253 S CA -0.734 57.540 58.200 0.124 0.000 1.075 253 S CB 1.250 64.603 63.200 0.255 0.000 0.996 253 S HN 0.900 nan 8.310 nan 0.000 0.487 254 N N 1.030 119.642 118.700 -0.147 0.000 2.229 254 N HA 0.439 5.179 4.740 -0.000 0.000 0.298 254 N C -1.629 173.632 175.510 -0.415 0.000 1.114 254 N CA -0.609 52.261 53.050 -0.300 0.000 0.776 254 N CB 2.158 40.427 38.487 -0.363 0.000 1.501 254 N HN 0.552 nan 8.380 nan 0.000 0.474 255 S N 0.901 116.303 115.700 -0.498 0.000 2.513 255 S HA 0.583 5.053 4.470 -0.000 0.000 0.299 255 S C -0.514 173.749 174.600 -0.561 0.000 1.087 255 S CA -0.720 57.199 58.200 -0.468 0.000 1.012 255 S CB 0.413 63.405 63.200 -0.347 0.000 1.044 255 S HN 0.489 nan 8.310 nan 0.000 0.485 256 F N 2.020 121.900 119.950 -0.116 0.000 2.695 256 F HA 0.176 4.703 4.527 -0.000 0.000 0.303 256 F C 2.311 178.044 175.800 -0.112 0.000 1.091 256 F CA -0.349 57.611 58.000 -0.067 0.000 1.300 256 F CB 0.252 39.103 39.000 -0.248 0.000 1.071 256 F HN 0.503 nan 8.300 nan 0.000 0.578 257 S N 0.965 116.594 115.700 -0.119 0.000 2.369 257 S HA -0.271 4.199 4.470 -0.000 0.000 0.225 257 S C 1.960 176.080 174.600 -0.801 0.000 1.043 257 S CA 1.842 59.814 58.200 -0.381 0.000 1.074 257 S CB -0.213 62.839 63.200 -0.246 0.000 0.962 257 S HN 0.278 nan 8.310 nan 0.000 0.433 258 K N 1.410 121.514 120.400 -0.492 0.000 2.021 258 K HA 0.140 4.460 4.320 -0.000 0.000 0.205 258 K C 2.073 178.613 176.600 -0.100 0.000 1.047 258 K CA 1.124 57.243 56.287 -0.280 0.000 0.943 258 K CB -0.500 32.014 32.500 0.023 0.000 0.725 258 K HN 0.631 nan 8.250 nan 0.000 0.439 259 I N -2.877 117.632 120.570 -0.102 0.000 3.111 259 I HA 0.067 4.237 4.170 -0.000 0.000 0.272 259 I C 0.869 177.144 176.117 0.263 0.000 1.268 259 I CA 1.146 62.434 61.300 -0.021 0.000 1.467 259 I CB 0.020 37.969 38.000 -0.085 0.000 1.087 259 I HN -0.092 nan 8.210 nan 0.000 0.467 260 F N 1.054 121.108 119.950 0.173 0.000 2.682 260 F HA 0.319 4.846 4.527 -0.000 0.000 0.308 260 F C 1.372 177.209 175.800 0.061 0.000 1.093 260 F CA -0.146 57.949 58.000 0.157 0.000 1.244 260 F CB 0.337 39.330 39.000 -0.011 0.000 1.052 260 F HN -0.036 nan 8.300 nan 0.000 0.573 261 S N 1.101 116.867 115.700 0.109 0.000 3.631 261 S HA -0.198 4.271 4.470 -0.000 0.000 0.366 261 S C 0.603 175.280 174.600 0.127 0.000 0.993 261 S CA 0.332 58.590 58.200 0.096 0.000 1.167 261 S CB -1.601 61.755 63.200 0.259 0.000 0.909 261 S HN 0.365 nan 8.310 nan 0.000 0.478 262 L N -0.195 121.018 121.223 -0.017 0.000 3.066 262 L HA 0.227 4.567 4.340 -0.000 0.000 0.265 262 L C 1.361 178.272 176.870 0.069 0.000 1.232 262 L CA -0.367 54.518 54.840 0.075 0.000 1.031 262 L CB -0.003 42.085 42.059 0.049 0.000 1.379 262 L HN 0.439 nan 8.230 nan 0.000 0.563 263 Y N 0.772 121.138 120.300 0.111 0.000 2.024 263 Y HA -0.378 4.172 4.550 -0.000 0.000 0.257 263 Y C 2.387 178.329 175.900 0.069 0.000 1.233 263 Y CA 1.997 60.148 58.100 0.084 0.000 1.087 263 Y CB -1.045 37.465 38.460 0.084 0.000 0.905 263 Y HN 0.284 nan 8.280 nan 0.000 0.503 264 G N -1.055 107.903 108.800 0.262 0.000 2.920 264 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.208 264 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.208 264 G C 1.144 176.110 174.900 0.110 0.000 1.159 264 G CA 0.308 45.502 45.100 0.156 0.000 0.784 264 G HN 0.302 nan 8.290 nan 0.000 0.535 265 E N 0.525 120.796 120.200 0.119 0.000 2.481 265 E HA 0.068 4.418 4.350 -0.000 0.000 0.198 265 E C 0.328 176.952 176.600 0.040 0.000 1.027 265 E CA -0.257 56.205 56.400 0.103 0.000 0.900 265 E CB 0.383 30.194 29.700 0.185 0.000 0.993 265 E HN 0.116 nan 8.360 nan 0.000 0.482 266 R N 0.034 120.555 120.500 0.034 0.000 3.144 266 R HA -0.105 4.235 4.340 -0.000 0.000 0.255 266 R C -0.257 176.024 176.300 -0.032 0.000 0.949 266 R CA 0.478 56.578 56.100 -0.000 0.000 0.649 266 R CB -3.215 27.068 30.300 -0.029 0.000 1.229 266 R HN 0.091 nan 8.270 nan 0.000 0.440 267 V N -1.560 118.349 119.914 -0.007 0.000 2.350 267 V HA 0.984 5.104 4.120 -0.000 0.000 0.285 267 V C 0.808 176.982 176.094 0.134 0.000 1.014 267 V CA 0.020 62.332 62.300 0.020 0.000 0.831 267 V CB 2.163 33.964 31.823 -0.037 0.000 1.000 267 V HN 0.538 nan 8.190 nan 0.000 0.433 268 G N 2.437 111.306 108.800 0.115 0.000 2.949 268 G HA2 0.913 4.873 3.960 -0.000 0.000 0.285 268 G HA3 0.913 4.873 3.960 -0.000 0.000 0.285 268 G C -0.506 174.476 174.900 0.136 0.000 1.395 268 G CA -0.503 44.611 45.100 0.022 0.000 0.901 268 G HN 1.305 nan 8.290 nan 0.000 0.519 269 G N -1.140 107.659 108.800 -0.001 0.000 2.696 269 G HA2 0.563 4.523 3.960 -0.000 0.000 0.295 269 G HA3 0.563 4.523 3.960 -0.000 0.000 0.295 269 G C -1.759 173.150 174.900 0.015 0.000 1.398 269 G CA -0.555 44.573 45.100 0.048 0.000 0.920 269 G HN 0.636 nan 8.290 nan 0.000 0.492 270 L N 1.295 122.541 121.223 0.038 0.000 2.333 270 L HA 0.681 5.021 4.340 -0.000 0.000 0.280 270 L C -0.496 176.359 176.870 -0.025 0.000 1.004 270 L CA -0.624 54.228 54.840 0.019 0.000 0.820 270 L CB 1.866 43.951 42.059 0.043 0.000 1.247 270 L HN 0.506 nan 8.230 nan 0.000 0.416 271 S N 3.243 118.916 115.700 -0.045 0.000 2.502 271 S HA 0.586 5.056 4.470 -0.000 0.000 0.304 271 S C -0.661 173.899 174.600 -0.066 0.000 1.097 271 S CA -0.482 57.703 58.200 -0.025 0.000 1.045 271 S CB 2.133 65.383 63.200 0.083 0.000 1.019 271 S HN 0.332 nan 8.310 nan 0.000 0.481 272 V N 4.495 124.351 119.914 -0.097 0.000 2.378 272 V HA 0.357 4.477 4.120 -0.000 0.000 0.288 272 V C -0.270 175.766 176.094 -0.098 0.000 1.016 272 V CA -0.576 61.652 62.300 -0.119 0.000 0.840 272 V CB 1.307 33.032 31.823 -0.163 0.000 0.994 272 V HN 0.894 nan 8.190 nan 0.000 0.431 273 M N 4.810 124.370 119.600 -0.066 0.000 2.220 273 M HA 0.294 4.774 4.480 -0.000 0.000 0.343 273 M C -0.309 175.945 176.300 -0.077 0.000 1.470 273 M CA 0.264 55.509 55.300 -0.092 0.000 1.161 273 M CB 0.055 32.629 32.600 -0.044 0.000 1.737 273 M HN 0.619 nan 8.290 nan 0.000 0.464 274 C N 1.999 121.244 119.300 -0.092 0.000 2.547 274 C HA 0.319 4.779 4.460 -0.000 0.000 0.411 274 C C 1.744 176.702 174.990 -0.053 0.000 1.424 274 C CA -0.693 58.290 59.018 -0.058 0.000 1.848 274 C CB 1.284 28.987 27.740 -0.061 0.000 2.062 274 C HN 0.804 nan 8.230 nan 0.000 0.504 275 E N 0.871 121.051 120.200 -0.032 0.000 2.208 275 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 275 E C -0.303 176.277 176.600 -0.034 0.000 0.988 275 E CA 1.260 57.645 56.400 -0.025 0.000 0.828 275 E CB -0.114 29.580 29.700 -0.010 0.000 0.763 275 E HN 0.859 nan 8.360 nan 0.000 0.478 276 D N -4.112 116.262 120.400 -0.044 0.000 2.926 276 D HA 0.298 4.938 4.640 -0.000 0.000 0.272 276 D C 0.204 176.472 176.300 -0.053 0.000 1.172 276 D CA -0.094 53.879 54.000 -0.046 0.000 0.731 276 D CB 0.136 40.917 40.800 -0.032 0.000 1.282 276 D HN -0.090 nan 8.370 nan 0.000 0.430 277 A N 0.171 122.960 122.820 -0.053 0.000 1.915 277 A HA -0.323 3.997 4.320 -0.000 0.000 0.220 277 A C 1.857 179.413 177.584 -0.046 0.000 1.198 277 A CA 2.285 54.291 52.037 -0.053 0.000 0.647 277 A CB -0.848 18.127 19.000 -0.042 0.000 0.825 277 A HN 0.665 nan 8.150 nan 0.000 0.456 278 E N -0.181 119.998 120.200 -0.036 0.000 2.031 278 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 278 E C 2.375 178.953 176.600 -0.036 0.000 0.994 278 E CA 1.327 57.708 56.400 -0.031 0.000 0.800 278 E CB -0.435 29.251 29.700 -0.023 0.000 0.752 278 E HN 0.494 nan 8.360 nan 0.000 0.447 279 A N 1.323 124.122 122.820 -0.035 0.000 1.917 279 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 279 A C 2.411 179.964 177.584 -0.052 0.000 1.182 279 A CA 2.514 54.530 52.037 -0.036 0.000 0.633 279 A CB -0.735 18.248 19.000 -0.028 0.000 0.819 279 A HN 0.366 nan 8.150 nan 0.000 0.448 280 A N -0.789 121.992 122.820 -0.065 0.000 1.969 280 A HA 0.178 4.498 4.320 -0.000 0.000 0.218 280 A C 2.344 179.876 177.584 -0.086 0.000 1.169 280 A CA 1.762 53.747 52.037 -0.087 0.000 0.635 280 A CB -1.171 17.768 19.000 -0.101 0.000 0.810 280 A HN 0.729 nan 8.150 nan 0.000 0.445 281 G N -0.721 108.040 108.800 -0.065 0.000 2.403 281 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 281 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 281 G C 1.768 176.635 174.900 -0.054 0.000 1.154 281 G CA 0.805 45.871 45.100 -0.055 0.000 0.784 281 G HN 0.529 nan 8.290 nan 0.000 0.538 282 R N -0.357 120.113 120.500 -0.050 0.000 2.062 282 R HA 0.012 4.352 4.340 -0.000 0.000 0.231 282 R C 2.744 179.006 176.300 -0.063 0.000 1.136 282 R CA 1.121 57.195 56.100 -0.044 0.000 0.948 282 R CB -0.572 29.704 30.300 -0.039 0.000 0.845 282 R HN 0.239 nan 8.270 nan 0.000 0.430 283 V N 1.499 121.356 119.914 -0.094 0.000 2.252 283 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 283 V C 2.234 178.191 176.094 -0.228 0.000 1.056 283 V CA 1.841 64.031 62.300 -0.183 0.000 1.022 283 V CB -0.562 31.136 31.823 -0.208 0.000 0.641 283 V HN 0.291 nan 8.190 nan 0.000 0.445 284 L N 1.285 122.410 121.223 -0.162 0.000 2.013 284 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 284 L C 2.339 179.149 176.870 -0.099 0.000 1.073 284 L CA 2.586 57.345 54.840 -0.135 0.000 0.753 284 L CB -1.426 40.577 42.059 -0.094 0.000 0.890 284 L HN 0.291 nan 8.230 nan 0.000 0.432 285 G N -1.526 107.233 108.800 -0.068 0.000 2.459 285 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 285 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 285 G C 1.397 176.289 174.900 -0.012 0.000 1.183 285 G CA 0.621 45.701 45.100 -0.033 0.000 0.776 285 G HN 0.475 nan 8.290 nan 0.000 0.552 286 Q N -0.054 119.748 119.800 0.003 0.000 2.364 286 Q HA 0.132 4.472 4.340 -0.000 0.000 0.207 286 Q C 2.680 178.723 176.000 0.071 0.000 0.970 286 Q CA 0.433 56.302 55.803 0.110 0.000 0.888 286 Q CB -0.093 28.815 28.738 0.283 0.000 0.951 286 Q HN 0.521 nan 8.270 nan 0.000 0.469 287 L N -0.114 121.053 121.223 -0.094 0.000 2.131 287 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 287 L C 2.233 179.076 176.870 -0.044 0.000 1.087 287 L CA 0.875 55.654 54.840 -0.103 0.000 0.767 287 L CB -0.217 41.724 42.059 -0.196 0.000 0.917 287 L HN 0.096 nan 8.230 nan 0.000 0.441 288 K N 0.349 120.720 120.400 -0.048 0.000 2.057 288 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 288 K C 2.221 178.791 176.600 -0.050 0.000 1.049 288 K CA 1.450 57.705 56.287 -0.052 0.000 0.931 288 K CB -0.231 32.243 32.500 -0.045 0.000 0.714 288 K HN 0.271 nan 8.250 nan 0.000 0.440 289 A N 0.550 123.363 122.820 -0.011 0.000 1.930 289 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 289 A C 2.154 179.736 177.584 -0.002 0.000 1.175 289 A CA 1.799 53.834 52.037 -0.002 0.000 0.627 289 A CB -0.809 18.213 19.000 0.038 0.000 0.815 289 A HN 0.231 nan 8.150 nan 0.000 0.443 290 T N -0.075 114.502 114.554 0.038 0.000 2.684 290 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 290 T C 1.844 176.514 174.700 -0.051 0.000 1.036 290 T CA 1.758 63.884 62.100 0.044 0.000 1.148 290 T CB -0.475 68.470 68.868 0.129 0.000 0.863 290 T HN 0.155 nan 8.240 nan 0.000 0.436 291 V N 1.249 121.091 119.914 -0.119 0.000 2.568 291 V HA -0.155 3.965 4.120 -0.000 0.000 0.253 291 V C 2.506 178.375 176.094 -0.374 0.000 1.072 291 V CA 1.577 63.676 62.300 -0.335 0.000 1.084 291 V CB -0.636 30.986 31.823 -0.336 0.000 0.676 291 V HN 0.346 nan 8.190 nan 0.000 0.469 292 R N 0.094 120.471 120.500 -0.205 0.000 2.115 292 R HA -0.021 4.319 4.340 -0.000 0.000 0.226 292 R C 2.196 178.415 176.300 -0.136 0.000 1.100 292 R CA 0.841 56.839 56.100 -0.170 0.000 0.980 292 R CB -0.019 30.216 30.300 -0.109 0.000 0.875 292 R HN 0.444 nan 8.270 nan 0.000 0.445 293 R N -0.161 120.276 120.500 -0.104 0.000 2.319 293 R HA 0.037 4.377 4.340 -0.000 0.000 0.204 293 R C 0.900 177.164 176.300 -0.060 0.000 0.954 293 R CA 0.143 56.205 56.100 -0.064 0.000 1.066 293 R CB 0.021 30.299 30.300 -0.037 0.000 0.991 293 R HN 0.203 nan 8.270 nan 0.000 0.486 294 N N 0.211 118.841 118.700 -0.117 0.000 3.261 294 N HA -0.040 4.700 4.740 -0.000 0.000 0.217 294 N C 0.606 176.126 175.510 0.017 0.000 1.152 294 N CA 0.554 53.576 53.050 -0.045 0.000 1.153 294 N CB 0.174 38.648 38.487 -0.023 0.000 1.474 294 N HN 0.143 nan 8.380 nan 0.000 0.577 295 Y N -1.417 118.885 120.300 0.003 0.000 2.588 295 Y HA 0.620 5.170 4.550 -0.000 0.000 0.247 295 Y C 0.952 176.852 175.900 -0.001 0.000 1.157 295 Y CA 0.097 58.201 58.100 0.006 0.000 1.215 295 Y CB 0.333 38.802 38.460 0.014 0.000 1.245 295 Y HN 0.055 nan 8.280 nan 0.000 0.534 296 S N 0.179 115.695 115.700 -0.307 0.000 1.616 296 S HA -0.244 4.226 4.470 -0.000 0.000 0.237 296 S C 0.350 174.839 174.600 -0.184 0.000 0.811 296 S CA 1.591 59.664 58.200 -0.212 0.000 1.381 296 S CB -1.673 61.454 63.200 -0.122 0.000 1.728 296 S HN 1.157 nan 8.310 nan 0.000 0.522 297 S N 0.527 116.239 115.700 0.022 0.000 2.565 297 S HA 0.664 5.134 4.470 -0.000 0.000 0.274 297 S C -3.531 171.301 174.600 0.386 0.000 1.144 297 S CA -1.021 57.264 58.200 0.141 0.000 0.849 297 S CB 2.314 65.553 63.200 0.066 0.000 1.103 297 S HN 0.234 nan 8.310 nan 0.000 0.455 298 P HA 0.559 nan 4.420 nan 0.000 0.278 298 P C -2.786 174.555 177.300 0.068 0.000 1.258 298 P CA -1.634 61.566 63.100 0.166 0.000 0.811 298 P CB -0.480 31.284 31.700 0.108 0.000 1.063 299 P HA 0.148 nan 4.420 nan 0.000 0.277 299 P C 0.344 177.628 177.300 -0.026 0.000 1.240 299 P CA -0.151 62.953 63.100 0.007 0.000 0.798 299 P CB 0.746 32.444 31.700 -0.004 0.000 0.979 300 N N 1.290 119.993 118.700 0.005 0.000 2.173 300 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 300 N C 1.530 177.011 175.510 -0.049 0.000 1.025 300 N CA 0.795 53.829 53.050 -0.027 0.000 0.852 300 N CB -0.750 37.742 38.487 0.008 0.000 0.998 300 N HN 0.379 nan 8.380 nan 0.000 0.427 301 F N 0.621 120.502 119.950 -0.115 0.000 2.025 301 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 301 F C 2.156 177.868 175.800 -0.147 0.000 1.132 301 F CA 2.230 60.160 58.000 -0.118 0.000 1.191 301 F CB -0.830 38.118 39.000 -0.088 0.000 0.963 301 F HN 0.093 nan 8.300 nan 0.000 0.481 302 G N -0.671 107.998 108.800 -0.219 0.000 2.408 302 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 302 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 302 G C 1.727 176.353 174.900 -0.457 0.000 1.150 302 G CA 0.710 45.598 45.100 -0.353 0.000 0.776 302 G HN 0.662 nan 8.290 nan 0.000 0.542 303 A N 0.242 122.770 122.820 -0.486 0.000 1.933 303 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 303 A C 2.280 179.635 177.584 -0.382 0.000 1.175 303 A CA 2.154 53.772 52.037 -0.700 0.000 0.628 303 A CB -0.373 18.115 19.000 -0.853 0.000 0.814 303 A HN 0.424 nan 8.150 nan 0.000 0.444 304 Q N -0.439 119.154 119.800 -0.345 0.000 2.167 304 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 304 Q C 1.789 177.596 176.000 -0.321 0.000 0.970 304 Q CA 1.775 57.414 55.803 -0.273 0.000 0.855 304 Q CB -0.325 28.257 28.738 -0.260 0.000 0.911 304 Q HN 0.337 nan 8.270 nan 0.000 0.438 305 V N -0.891 118.750 119.914 -0.457 0.000 2.323 305 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 305 V C 2.103 177.982 176.094 -0.359 0.000 1.041 305 V CA 1.396 63.438 62.300 -0.430 0.000 1.025 305 V CB -0.253 31.243 31.823 -0.545 0.000 0.656 305 V HN 0.236 nan 8.190 nan 0.000 0.451 306 V N 0.346 119.975 119.914 -0.475 0.000 2.343 306 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 306 V C 2.652 178.501 176.094 -0.409 0.000 1.051 306 V CA 1.990 63.888 62.300 -0.671 0.000 1.036 306 V CB -1.021 30.221 31.823 -0.969 0.000 0.654 306 V HN 0.552 nan 8.190 nan 0.000 0.451 307 A N -0.054 122.641 122.820 -0.210 0.000 1.898 307 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 307 A C 2.425 179.927 177.584 -0.136 0.000 1.181 307 A CA 1.757 53.716 52.037 -0.130 0.000 0.620 307 A CB -0.719 18.261 19.000 -0.033 0.000 0.819 307 A HN 0.545 nan 8.150 nan 0.000 0.442 308 A N -0.511 122.222 122.820 -0.146 0.000 1.940 308 A HA -0.011 4.309 4.320 -0.000 0.000 0.219 308 A C 2.227 179.751 177.584 -0.099 0.000 1.176 308 A CA 1.849 53.819 52.037 -0.112 0.000 0.631 308 A CB -0.823 18.106 19.000 -0.118 0.000 0.814 308 A HN 0.354 nan 8.150 nan 0.000 0.446 309 V N -0.089 119.749 119.914 -0.127 0.000 2.270 309 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 309 V C 2.482 178.520 176.094 -0.094 0.000 1.043 309 V CA 1.925 64.168 62.300 -0.094 0.000 1.014 309 V CB -0.629 31.142 31.823 -0.085 0.000 0.645 309 V HN 0.575 nan 8.190 nan 0.000 0.447 310 L N 0.263 121.393 121.223 -0.154 0.000 2.313 310 L HA -0.014 4.326 4.340 -0.000 0.000 0.214 310 L C 1.763 178.600 176.870 -0.054 0.000 1.119 310 L CA 0.819 55.590 54.840 -0.114 0.000 0.809 310 L CB -0.504 41.440 42.059 -0.192 0.000 0.933 310 L HN 0.383 nan 8.230 nan 0.000 0.449 311 N N -0.620 118.043 118.700 -0.062 0.000 2.398 311 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 311 N C -0.005 175.492 175.510 -0.020 0.000 1.122 311 N CA 0.421 53.450 53.050 -0.035 0.000 0.866 311 N CB 0.140 38.602 38.487 -0.042 0.000 0.970 311 N HN 0.253 nan 8.380 nan 0.000 0.462 312 D N 0.253 120.645 120.400 -0.014 0.000 2.391 312 D HA 0.101 4.741 4.640 -0.000 0.000 0.245 312 D C 0.665 176.975 176.300 0.017 0.000 1.069 312 D CA -0.309 53.690 54.000 -0.001 0.000 0.831 312 D CB 2.204 43.001 40.800 -0.005 0.000 1.204 312 D HN -0.164 nan 8.370 nan 0.000 0.503 313 E N 2.591 122.802 120.200 0.019 0.000 2.049 313 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 313 E C 1.770 178.392 176.600 0.036 0.000 1.007 313 E CA 2.054 58.471 56.400 0.028 0.000 0.809 313 E CB 0.068 29.781 29.700 0.021 0.000 0.749 313 E HN 0.585 nan 8.360 nan 0.000 0.450 314 A N 0.089 122.927 122.820 0.029 0.000 1.897 314 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 314 A C 2.227 179.838 177.584 0.045 0.000 1.181 314 A CA 0.938 52.994 52.037 0.032 0.000 0.620 314 A CB -0.569 18.445 19.000 0.023 0.000 0.821 314 A HN 0.266 nan 8.150 nan 0.000 0.443 315 L N -0.497 120.752 121.223 0.044 0.000 2.017 315 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 315 L C 2.684 179.622 176.870 0.114 0.000 1.073 315 L CA 2.045 56.921 54.840 0.060 0.000 0.745 315 L CB -0.481 41.596 42.059 0.031 0.000 0.894 315 L HN 0.501 nan 8.230 nan 0.000 0.432 316 K N 0.336 120.802 120.400 0.111 0.000 2.026 316 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 316 K C 2.144 178.874 176.600 0.217 0.000 1.048 316 K CA 1.464 57.870 56.287 0.200 0.000 0.929 316 K CB -0.091 32.496 32.500 0.145 0.000 0.713 316 K HN 0.252 nan 8.250 nan 0.000 0.439 317 A N 0.709 123.598 122.820 0.115 0.000 1.883 317 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 317 A C 2.217 179.826 177.584 0.042 0.000 1.186 317 A CA 2.391 54.466 52.037 0.065 0.000 0.624 317 A CB -1.097 17.927 19.000 0.040 0.000 0.822 317 A HN 0.519 nan 8.150 nan 0.000 0.444 318 S N -1.856 113.880 115.700 0.059 0.000 2.368 318 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 318 S C 1.729 176.353 174.600 0.041 0.000 1.030 318 S CA 1.757 59.981 58.200 0.040 0.000 0.999 318 S CB -0.572 62.659 63.200 0.052 0.000 0.844 318 S HN 0.747 nan 8.310 nan 0.000 0.459 319 W N 1.863 123.106 121.300 -0.095 0.000 2.335 319 W HA -0.055 4.605 4.660 -0.000 0.000 0.311 319 W C 1.769 178.190 176.519 -0.164 0.000 1.213 319 W CA 1.569 58.810 57.345 -0.172 0.000 1.274 319 W CB -0.698 28.609 29.460 -0.255 0.000 1.148 319 W HN 0.324 nan 8.180 nan 0.000 0.498 320 L N 0.983 121.970 121.223 -0.394 0.000 2.012 320 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 320 L C 2.758 179.385 176.870 -0.405 0.000 1.073 320 L CA 2.122 56.613 54.840 -0.582 0.000 0.748 320 L CB -1.116 40.798 42.059 -0.241 0.000 0.891 320 L HN -0.015 nan 8.230 nan 0.000 0.431 321 K N 0.409 120.673 120.400 -0.227 0.000 2.063 321 K HA -0.275 4.045 4.320 -0.000 0.000 0.208 321 K C 2.069 178.565 176.600 -0.174 0.000 1.048 321 K CA 1.946 58.141 56.287 -0.153 0.000 0.928 321 K CB -0.007 32.443 32.500 -0.083 0.000 0.713 321 K HN 0.298 nan 8.250 nan 0.000 0.442 322 E N -0.063 120.012 120.200 -0.209 0.000 2.150 322 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 322 E C 1.756 178.198 176.600 -0.264 0.000 0.985 322 E CA 0.891 57.175 56.400 -0.192 0.000 0.814 322 E CB 0.232 29.846 29.700 -0.144 0.000 0.752 322 E HN 0.135 nan 8.360 nan 0.000 0.466 323 V N 1.303 120.958 119.914 -0.432 0.000 2.427 323 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 323 V C 2.360 178.339 176.094 -0.193 0.000 1.051 323 V CA 1.612 63.699 62.300 -0.355 0.000 1.048 323 V CB -0.436 31.012 31.823 -0.626 0.000 0.666 323 V HN 0.259 nan 8.190 nan 0.000 0.456 324 E N 0.298 120.374 120.200 -0.207 0.000 2.110 324 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 324 E C 2.262 178.793 176.600 -0.115 0.000 0.988 324 E CA 1.169 57.492 56.400 -0.128 0.000 0.804 324 E CB -0.099 29.533 29.700 -0.114 0.000 0.745 324 E HN 0.664 nan 8.360 nan 0.000 0.458 325 E N -0.207 119.918 120.200 -0.125 0.000 2.070 325 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 325 E C 2.191 178.722 176.600 -0.116 0.000 1.004 325 E CA 1.460 57.803 56.400 -0.096 0.000 0.805 325 E CB -0.084 29.567 29.700 -0.081 0.000 0.744 325 E HN 0.260 nan 8.360 nan 0.000 0.451 326 M N -0.283 119.188 119.600 -0.216 0.000 2.117 326 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 326 M C 2.458 178.534 176.300 -0.373 0.000 1.065 326 M CA 1.313 56.365 55.300 -0.413 0.000 1.114 326 M CB -0.222 31.842 32.600 -0.893 0.000 1.361 326 M HN -0.025 nan 8.290 nan 0.000 0.408 327 R N 0.396 120.709 120.500 -0.312 0.000 2.075 327 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 327 R C 2.261 178.488 176.300 -0.121 0.000 1.126 327 R CA 2.089 58.053 56.100 -0.228 0.000 0.963 327 R CB -0.342 29.922 30.300 -0.059 0.000 0.858 327 R HN 0.513 nan 8.270 nan 0.000 0.435 328 T N -1.788 112.715 114.554 -0.086 0.000 2.951 328 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 328 T C 1.989 176.665 174.700 -0.040 0.000 1.073 328 T CA 0.691 62.760 62.100 -0.051 0.000 1.134 328 T CB -0.252 68.591 68.868 -0.041 0.000 0.884 328 T HN 0.232 nan 8.240 nan 0.000 0.479 329 R N 0.697 121.177 120.500 -0.033 0.000 2.073 329 R HA 0.054 4.394 4.340 -0.000 0.000 0.234 329 R C 2.476 178.764 176.300 -0.021 0.000 1.134 329 R CA 1.542 57.639 56.100 -0.006 0.000 0.952 329 R CB -0.479 29.855 30.300 0.057 0.000 0.850 329 R HN 0.469 nan 8.270 nan 0.000 0.433 330 I N 1.050 121.599 120.570 -0.036 0.000 2.264 330 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 330 I C 2.202 178.290 176.117 -0.049 0.000 1.111 330 I CA 1.105 62.370 61.300 -0.058 0.000 1.382 330 I CB -0.218 37.719 38.000 -0.106 0.000 1.060 330 I HN 0.260 nan 8.210 nan 0.000 0.418 331 L N 0.463 121.660 121.223 -0.043 0.000 2.027 331 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 331 L C 2.920 179.772 176.870 -0.031 0.000 1.074 331 L CA 1.428 56.250 54.840 -0.030 0.000 0.745 331 L CB -0.820 41.224 42.059 -0.024 0.000 0.898 331 L HN 0.243 nan 8.230 nan 0.000 0.433 332 A N -0.307 122.493 122.820 -0.033 0.000 1.902 332 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 332 A C 2.277 179.835 177.584 -0.043 0.000 1.181 332 A CA 1.573 53.590 52.037 -0.034 0.000 0.623 332 A CB -0.349 18.633 19.000 -0.030 0.000 0.818 332 A HN 0.278 nan 8.150 nan 0.000 0.443 333 M N -0.329 119.242 119.600 -0.049 0.000 2.175 333 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 333 M C 2.133 178.396 176.300 -0.061 0.000 1.063 333 M CA 1.354 56.617 55.300 -0.062 0.000 1.119 333 M CB -1.239 31.318 32.600 -0.072 0.000 1.377 333 M HN 0.450 nan 8.290 nan 0.000 0.415 334 R N -0.227 120.245 120.500 -0.048 0.000 2.075 334 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 334 R C 2.242 178.511 176.300 -0.051 0.000 1.126 334 R CA 0.951 57.025 56.100 -0.043 0.000 0.963 334 R CB -0.417 29.868 30.300 -0.024 0.000 0.858 334 R HN 0.467 nan 8.270 nan 0.000 0.435 335 Q N 0.846 120.620 119.800 -0.043 0.000 2.030 335 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 335 Q C 2.050 178.016 176.000 -0.057 0.000 0.986 335 Q CA 1.485 57.263 55.803 -0.042 0.000 0.843 335 Q CB -0.227 28.492 28.738 -0.032 0.000 0.904 335 Q HN 0.260 nan 8.270 nan 0.000 0.420 336 E N 1.098 121.261 120.200 -0.063 0.000 2.031 336 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 336 E C 1.943 178.482 176.600 -0.101 0.000 0.994 336 E CA 0.736 57.091 56.400 -0.074 0.000 0.800 336 E CB -0.485 29.172 29.700 -0.072 0.000 0.752 336 E HN 0.194 nan 8.360 nan 0.000 0.447 337 L N -0.166 120.989 121.223 -0.113 0.000 1.990 337 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 337 L C 2.409 179.169 176.870 -0.184 0.000 1.072 337 L CA 1.704 56.453 54.840 -0.151 0.000 0.755 337 L CB -0.815 41.167 42.059 -0.130 0.000 0.889 337 L HN 0.133 nan 8.230 nan 0.000 0.432 338 V N -0.007 119.816 119.914 -0.152 0.000 2.332 338 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 338 V C 2.696 178.700 176.094 -0.149 0.000 1.055 338 V CA 2.169 64.370 62.300 -0.165 0.000 1.038 338 V CB -0.776 31.001 31.823 -0.076 0.000 0.651 338 V HN 0.543 nan 8.190 nan 0.000 0.450 339 K N 0.041 120.378 120.400 -0.105 0.000 1.991 339 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 339 K C 2.090 178.627 176.600 -0.103 0.000 1.049 339 K CA 2.124 58.363 56.287 -0.080 0.000 0.932 339 K CB -0.319 32.144 32.500 -0.062 0.000 0.717 339 K HN 0.364 nan 8.250 nan 0.000 0.441 340 V N 1.600 121.436 119.914 -0.129 0.000 2.343 340 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 340 V C 2.384 178.369 176.094 -0.182 0.000 1.051 340 V CA 1.301 63.519 62.300 -0.137 0.000 1.036 340 V CB -0.428 31.307 31.823 -0.147 0.000 0.654 340 V HN 0.311 nan 8.190 nan 0.000 0.451 341 L N -0.323 120.724 121.223 -0.293 0.000 2.291 341 L HA -0.006 4.334 4.340 -0.000 0.000 0.214 341 L C 2.389 178.974 176.870 -0.476 0.000 1.120 341 L CA 1.604 56.146 54.840 -0.497 0.000 0.799 341 L CB -0.677 40.888 42.059 -0.823 0.000 0.925 341 L HN 0.255 nan 8.230 nan 0.000 0.446 342 S N -1.709 113.845 115.700 -0.243 0.000 2.425 342 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 342 S C 1.851 176.469 174.600 0.029 0.000 1.024 342 S CA 1.161 59.368 58.200 0.013 0.000 0.951 342 S CB -0.065 63.167 63.200 0.055 0.000 0.796 342 S HN 0.706 nan 8.310 nan 0.000 0.498 343 T N -0.560 113.979 114.554 -0.025 0.000 2.985 343 T HA 0.076 4.426 4.350 -0.000 0.000 0.266 343 T C 1.529 176.227 174.700 -0.003 0.000 1.076 343 T CA 1.040 63.134 62.100 -0.009 0.000 1.135 343 T CB -0.138 68.716 68.868 -0.025 0.000 0.890 343 T HN 0.151 nan 8.240 nan 0.000 0.480 344 E N 0.756 120.943 120.200 -0.022 0.000 2.170 344 E HA 0.257 4.607 4.350 -0.000 0.000 0.191 344 E C 0.669 177.301 176.600 0.053 0.000 0.981 344 E CA 0.665 57.062 56.400 -0.004 0.000 0.830 344 E CB 0.031 29.706 29.700 -0.041 0.000 0.775 344 E HN 0.542 nan 8.360 nan 0.000 0.470 345 M N 0.716 120.384 119.600 0.113 0.000 2.126 345 M HA 0.215 4.695 4.480 -0.000 0.000 0.217 345 M C -2.094 174.345 176.300 0.231 0.000 0.873 345 M CA -1.473 53.947 55.300 0.200 0.000 0.707 345 M CB 2.093 34.893 32.600 0.333 0.000 1.515 345 M HN -0.116 nan 8.290 nan 0.000 0.369 346 P HA -0.233 nan 4.420 nan 0.000 0.218 346 P C 1.009 178.363 177.300 0.091 0.000 1.148 346 P CA 1.565 64.730 63.100 0.108 0.000 0.822 346 P CB -0.011 31.727 31.700 0.064 0.000 0.784 347 E N 0.587 120.829 120.200 0.070 0.000 2.077 347 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 347 E C 0.731 177.333 176.600 0.003 0.000 0.989 347 E CA 0.914 57.334 56.400 0.032 0.000 0.800 347 E CB -0.696 29.017 29.700 0.022 0.000 0.746 347 E HN 0.179 nan 8.360 nan 0.000 0.452 348 R N 2.145 122.641 120.500 -0.006 0.000 2.438 348 R HA 0.182 4.522 4.340 -0.000 0.000 0.287 348 R C 0.520 176.694 176.300 -0.211 0.000 1.077 348 R CA -0.304 55.679 56.100 -0.195 0.000 1.034 348 R CB 0.038 30.095 30.300 -0.404 0.000 0.993 348 R HN 0.251 nan 8.270 nan 0.000 0.459 349 N N 2.233 120.784 118.700 -0.248 0.000 2.455 349 N HA 0.106 4.846 4.740 -0.000 0.000 0.280 349 N C -0.628 174.740 175.510 -0.236 0.000 1.055 349 N CA -0.104 52.877 53.050 -0.114 0.000 0.961 349 N CB 0.655 39.127 38.487 -0.025 0.000 1.121 349 N HN 0.373 nan 8.380 nan 0.000 0.476 350 F N 1.283 121.276 119.950 0.072 0.000 2.735 350 F HA 0.240 4.767 4.527 -0.000 0.000 0.304 350 F C 1.267 176.987 175.800 -0.132 0.000 1.119 350 F CA -0.620 57.365 58.000 -0.025 0.000 1.280 350 F CB 0.572 39.518 39.000 -0.090 0.000 0.994 350 F HN 0.403 nan 8.300 nan 0.000 0.520 351 D N 0.462 120.944 120.400 0.137 0.000 2.149 351 D HA -0.288 4.352 4.640 -0.000 0.000 0.194 351 D C 2.115 178.464 176.300 0.081 0.000 1.001 351 D CA 2.090 56.145 54.000 0.092 0.000 0.849 351 D CB -0.480 40.377 40.800 0.094 0.000 0.939 351 D HN 0.568 nan 8.370 nan 0.000 0.449 352 Y N -0.099 120.255 120.300 0.090 0.000 2.298 352 Y HA -0.140 4.410 4.550 -0.000 0.000 0.287 352 Y C 1.950 177.931 175.900 0.134 0.000 1.164 352 Y CA 0.815 58.973 58.100 0.097 0.000 1.229 352 Y CB -0.856 37.663 38.460 0.099 0.000 0.977 352 Y HN 0.009 nan 8.280 nan 0.000 0.538 353 L N 0.010 120.992 121.223 -0.401 0.000 2.313 353 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 353 L C 2.132 178.967 176.870 -0.059 0.000 1.119 353 L CA 0.575 55.264 54.840 -0.252 0.000 0.809 353 L CB -0.234 41.624 42.059 -0.335 0.000 0.933 353 L HN 0.374 nan 8.230 nan 0.000 0.449 354 L N -0.867 120.338 121.223 -0.031 0.000 2.249 354 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 354 L C 1.866 178.760 176.870 0.040 0.000 1.090 354 L CA 0.404 55.249 54.840 0.008 0.000 0.802 354 L CB -0.327 41.736 42.059 0.008 0.000 0.947 354 L HN 0.265 nan 8.230 nan 0.000 0.453 355 N N -0.175 118.565 118.700 0.066 0.000 2.457 355 N HA -0.030 4.710 4.740 -0.000 0.000 0.180 355 N C 0.435 176.009 175.510 0.108 0.000 1.050 355 N CA 0.477 53.575 53.050 0.080 0.000 0.906 355 N CB 0.089 38.626 38.487 0.083 0.000 0.968 355 N HN 0.423 nan 8.380 nan 0.000 0.445 356 Q N 0.524 120.406 119.800 0.136 0.000 2.259 356 Q HA 0.384 4.724 4.340 -0.000 0.000 0.249 356 Q C -0.291 175.793 176.000 0.140 0.000 0.914 356 Q CA -0.120 55.788 55.803 0.175 0.000 0.904 356 Q CB 1.325 30.206 28.738 0.238 0.000 1.213 356 Q HN 0.058 nan 8.270 nan 0.000 0.428 357 R N 0.672 121.269 120.500 0.162 0.000 2.750 357 R HA 0.784 5.124 4.340 -0.000 0.000 0.281 357 R C -0.277 176.101 176.300 0.129 0.000 0.972 357 R CA -0.458 55.722 56.100 0.134 0.000 0.912 357 R CB 1.937 32.323 30.300 0.143 0.000 1.187 357 R HN 0.879 nan 8.270 nan 0.000 0.464 358 G N 1.225 110.069 108.800 0.074 0.000 2.500 358 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.209 358 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.209 358 G C 0.586 175.410 174.900 -0.127 0.000 1.283 358 G CA -0.330 44.781 45.100 0.017 0.000 0.960 358 G HN 0.487 nan 8.290 nan 0.000 0.528 359 M N -0.539 118.841 119.600 -0.368 0.000 2.279 359 M HA 0.131 4.611 4.480 -0.000 0.000 0.264 359 M C 0.800 176.722 176.300 -0.630 0.000 1.062 359 M CA 1.577 56.485 55.300 -0.652 0.000 1.099 359 M CB -0.452 31.435 32.600 -1.189 0.000 1.394 359 M HN 0.282 nan 8.290 nan 0.000 0.426 360 F N -0.913 119.027 119.950 -0.015 0.000 2.575 360 F HA 0.502 5.029 4.527 -0.000 0.000 0.330 360 F C 0.218 176.080 175.800 0.103 0.000 1.056 360 F CA -0.915 57.115 58.000 0.050 0.000 0.964 360 F CB 1.603 40.629 39.000 0.043 0.000 1.258 360 F HN -0.307 nan 8.300 nan 0.000 0.484 361 S N -0.325 115.609 115.700 0.390 0.000 2.536 361 S HA 0.349 4.819 4.470 -0.000 0.000 0.271 361 S C -1.734 173.108 174.600 0.402 0.000 1.134 361 S CA -0.682 57.723 58.200 0.342 0.000 0.897 361 S CB 1.011 64.373 63.200 0.270 0.000 1.094 361 S HN 0.542 nan 8.310 nan 0.000 0.473 362 Y N 2.593 122.976 120.300 0.138 0.000 2.504 362 Y HA 0.090 4.640 4.550 -0.000 0.000 0.351 362 Y C 2.125 178.132 175.900 0.178 0.000 0.988 362 Y CA -0.325 57.783 58.100 0.013 0.000 1.239 362 Y CB 0.646 38.879 38.460 -0.379 0.000 1.128 362 Y HN 0.910 nan 8.280 nan 0.000 0.525 363 T N -0.636 114.004 114.554 0.143 0.000 2.962 363 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 363 T C 1.636 176.394 174.700 0.096 0.000 1.088 363 T CA 0.787 62.980 62.100 0.156 0.000 1.127 363 T CB -0.165 68.642 68.868 -0.102 0.000 0.883 363 T HN 0.985 nan 8.240 nan 0.000 0.493 364 G N 0.856 109.621 108.800 -0.058 0.000 2.143 364 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.248 364 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.248 364 G C -0.198 174.635 174.900 -0.112 0.000 0.991 364 G CA 0.010 45.059 45.100 -0.085 0.000 0.689 364 G HN 0.542 nan 8.290 nan 0.000 0.522 365 L N 1.701 122.828 121.223 -0.159 0.000 2.397 365 L HA 0.577 4.917 4.340 -0.000 0.000 0.271 365 L C 1.482 178.272 176.870 -0.134 0.000 1.148 365 L CA -0.037 54.714 54.840 -0.150 0.000 0.825 365 L CB 1.119 43.056 42.059 -0.202 0.000 1.117 365 L HN 0.563 nan 8.230 nan 0.000 0.456 366 S N 1.739 117.384 115.700 -0.091 0.000 2.614 366 S HA 0.404 4.874 4.470 -0.000 0.000 0.265 366 S C 1.307 175.865 174.600 -0.069 0.000 1.303 366 S CA -0.125 58.032 58.200 -0.073 0.000 1.000 366 S CB 0.832 64.005 63.200 -0.046 0.000 0.935 366 S HN 0.714 nan 8.310 nan 0.000 0.551 367 A N 1.540 124.326 122.820 -0.057 0.000 1.978 367 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 367 A C 2.338 179.902 177.584 -0.034 0.000 1.170 367 A CA 1.952 53.961 52.037 -0.046 0.000 0.636 367 A CB -1.638 17.341 19.000 -0.036 0.000 0.810 367 A HN 1.314 nan 8.150 nan 0.000 0.448 368 A N -0.946 121.858 122.820 -0.027 0.000 1.872 368 A HA -0.145 4.175 4.320 -0.000 0.000 0.214 368 A C 2.112 179.691 177.584 -0.008 0.000 1.187 368 A CA 1.498 53.525 52.037 -0.016 0.000 0.614 368 A CB -0.570 18.423 19.000 -0.011 0.000 0.826 368 A HN 0.611 nan 8.150 nan 0.000 0.442 369 Q N -0.388 119.405 119.800 -0.012 0.000 2.045 369 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 369 Q C 2.157 178.160 176.000 0.004 0.000 0.991 369 Q CA 1.977 57.780 55.803 0.000 0.000 0.851 369 Q CB -0.488 28.234 28.738 -0.027 0.000 0.911 369 Q HN 0.455 nan 8.270 nan 0.000 0.418 370 V N 1.594 121.493 119.914 -0.026 0.000 2.282 370 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 370 V C 1.739 177.823 176.094 -0.016 0.000 1.057 370 V CA 2.087 64.374 62.300 -0.020 0.000 1.032 370 V CB -0.565 31.234 31.823 -0.040 0.000 0.645 370 V HN 0.385 nan 8.190 nan 0.000 0.447 371 D N -0.666 119.720 120.400 -0.024 0.000 2.123 371 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 371 D C 2.321 178.606 176.300 -0.024 0.000 0.992 371 D CA 1.422 55.401 54.000 -0.036 0.000 0.833 371 D CB -0.192 40.591 40.800 -0.030 0.000 0.954 371 D HN 0.350 nan 8.370 nan 0.000 0.455 372 R N -0.055 120.454 120.500 0.014 0.000 2.070 372 R HA -0.134 4.206 4.340 -0.000 0.000 0.233 372 R C 2.271 178.636 176.300 0.109 0.000 1.137 372 R CA 0.776 56.904 56.100 0.048 0.000 0.945 372 R CB -0.427 29.928 30.300 0.091 0.000 0.845 372 R HN 0.043 nan 8.270 nan 0.000 0.430 373 L N 1.251 122.575 121.223 0.170 0.000 2.051 373 L HA -0.228 4.112 4.340 -0.000 0.000 0.214 373 L C 2.450 179.405 176.870 0.142 0.000 1.076 373 L CA 1.895 56.895 54.840 0.267 0.000 0.758 373 L CB -0.779 41.394 42.059 0.190 0.000 0.890 373 L HN 0.218 nan 8.230 nan 0.000 0.433 374 R N -0.911 119.560 120.500 -0.048 0.000 2.064 374 R HA -0.162 4.178 4.340 -0.000 0.000 0.228 374 R C 2.154 178.355 176.300 -0.165 0.000 1.144 374 R CA 1.358 57.294 56.100 -0.274 0.000 0.932 374 R CB -0.161 29.895 30.300 -0.407 0.000 0.833 374 R HN 0.171 nan 8.270 nan 0.000 0.429 375 E N 0.534 120.664 120.200 -0.117 0.000 2.049 375 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 375 E C 1.788 178.313 176.600 -0.125 0.000 1.007 375 E CA 1.946 58.287 56.400 -0.098 0.000 0.809 375 E CB -0.206 29.444 29.700 -0.083 0.000 0.749 375 E HN 0.511 nan 8.360 nan 0.000 0.450 376 E N -1.446 118.641 120.200 -0.188 0.000 2.042 376 E HA -0.044 4.306 4.350 -0.000 0.000 0.189 376 E C 1.296 177.604 176.600 -0.487 0.000 0.974 376 E CA 0.632 56.757 56.400 -0.457 0.000 0.806 376 E CB -0.026 29.186 29.700 -0.813 0.000 0.769 376 E HN 0.213 nan 8.360 nan 0.000 0.451 377 F N -0.715 119.247 119.950 0.021 0.000 2.678 377 F HA 0.378 4.905 4.527 -0.000 0.000 0.305 377 F C 1.272 177.115 175.800 0.071 0.000 1.090 377 F CA 0.288 58.311 58.000 0.039 0.000 1.272 377 F CB 1.165 40.192 39.000 0.044 0.000 1.060 377 F HN 0.194 nan 8.300 nan 0.000 0.576 378 G N 1.340 110.268 108.800 0.213 0.000 2.225 378 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 378 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 378 G C -0.168 174.990 174.900 0.431 0.000 1.024 378 G CA 0.256 45.538 45.100 0.304 0.000 0.784 378 G HN 0.189 nan 8.290 nan 0.000 0.507 379 V N 0.880 120.993 119.914 0.333 0.000 2.333 379 V HA 0.472 4.592 4.120 -0.000 0.000 0.274 379 V C -0.240 176.029 176.094 0.292 0.000 1.028 379 V CA -0.959 61.530 62.300 0.316 0.000 0.851 379 V CB 0.763 32.712 31.823 0.210 0.000 1.000 379 V HN 0.238 nan 8.190 nan 0.000 0.456 380 Y N 5.877 126.260 120.300 0.139 0.000 2.367 380 Y HA 0.656 5.206 4.550 -0.000 0.000 0.342 380 Y C 0.199 176.137 175.900 0.064 0.000 0.979 380 Y CA -0.565 57.597 58.100 0.103 0.000 1.161 380 Y CB 1.033 39.536 38.460 0.072 0.000 1.155 380 Y HN 0.442 nan 8.280 nan 0.000 0.503 381 L N 4.369 125.695 121.223 0.171 0.000 2.279 381 L HA 0.639 4.979 4.340 -0.000 0.000 0.262 381 L C -0.065 176.859 176.870 0.090 0.000 1.019 381 L CA -1.513 53.406 54.840 0.130 0.000 0.823 381 L CB 2.108 44.232 42.059 0.107 0.000 1.358 381 L HN 0.487 nan 8.230 nan 0.000 0.432 382 I N -1.373 119.241 120.570 0.073 0.000 2.713 382 I HA 0.425 4.595 4.170 -0.000 0.000 0.300 382 I C 1.332 177.449 176.117 -0.000 0.000 1.009 382 I CA -0.479 60.849 61.300 0.048 0.000 1.305 382 I CB 1.398 39.433 38.000 0.058 0.000 1.430 382 I HN 0.750 nan 8.210 nan 0.000 0.546 383 A N 3.316 126.132 122.820 -0.006 0.000 1.971 383 A HA -0.249 4.071 4.320 -0.000 0.000 0.222 383 A C 2.314 179.856 177.584 -0.070 0.000 1.182 383 A CA 2.822 54.841 52.037 -0.030 0.000 0.649 383 A CB -1.470 17.519 19.000 -0.019 0.000 0.818 383 A HN 1.020 nan 8.150 nan 0.000 0.458 384 S N -2.085 113.566 115.700 -0.082 0.000 2.447 384 S HA 0.275 4.745 4.470 -0.000 0.000 0.233 384 S C 1.592 175.953 174.600 -0.398 0.000 1.006 384 S CA 1.346 59.436 58.200 -0.184 0.000 0.957 384 S CB -0.476 62.673 63.200 -0.085 0.000 0.773 384 S HN 2.076 nan 8.310 nan 0.000 0.507 385 G N 1.102 109.744 108.800 -0.265 0.000 2.179 385 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 385 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 385 G C 0.080 174.853 174.900 -0.212 0.000 0.990 385 G CA -0.059 44.880 45.100 -0.269 0.000 0.646 385 G HN 0.715 nan 8.290 nan 0.000 0.517 386 R N 0.858 121.281 120.500 -0.129 0.000 2.570 386 R HA 0.455 4.795 4.340 -0.000 0.000 0.277 386 R C 0.935 177.337 176.300 0.171 0.000 1.039 386 R CA 0.490 56.669 56.100 0.132 0.000 1.065 386 R CB 0.025 30.439 30.300 0.190 0.000 0.964 386 R HN 0.550 nan 8.270 nan 0.000 0.428 387 M N 3.568 123.322 119.600 0.256 0.000 2.456 387 M HA 0.330 4.810 4.480 -0.000 0.000 0.324 387 M C -0.953 175.550 176.300 0.340 0.000 1.124 387 M CA -0.863 54.596 55.300 0.265 0.000 0.959 387 M CB 1.872 34.625 32.600 0.255 0.000 1.692 387 M HN 0.518 nan 8.290 nan 0.000 0.444 388 C N 4.041 123.505 119.300 0.274 0.000 2.322 388 C HA 0.373 4.833 4.460 -0.000 0.000 0.343 388 C C 1.641 176.635 174.990 0.006 0.000 1.190 388 C CA -0.389 58.702 59.018 0.121 0.000 1.704 388 C CB -0.358 27.448 27.740 0.109 0.000 2.293 388 C HN 0.883 nan 8.230 nan 0.000 0.523 389 V N 5.814 125.703 119.914 -0.041 0.000 2.490 389 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 389 V C 2.554 178.587 176.094 -0.102 0.000 1.061 389 V CA 2.259 64.530 62.300 -0.049 0.000 1.064 389 V CB -0.963 30.834 31.823 -0.043 0.000 0.670 389 V HN 1.014 nan 8.190 nan 0.000 0.461 390 A N 0.586 123.319 122.820 -0.144 0.000 2.216 390 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 390 A C 2.248 179.738 177.584 -0.158 0.000 1.160 390 A CA 1.289 53.210 52.037 -0.193 0.000 0.725 390 A CB -0.748 18.122 19.000 -0.217 0.000 0.784 390 A HN 0.537 nan 8.150 nan 0.000 0.472 391 G N -0.518 108.212 108.800 -0.117 0.000 2.534 391 G HA2 0.218 4.178 3.960 -0.000 0.000 0.217 391 G HA3 0.218 4.178 3.960 -0.000 0.000 0.217 391 G C 0.649 175.436 174.900 -0.188 0.000 1.128 391 G CA 0.094 45.080 45.100 -0.189 0.000 0.784 391 G HN 0.446 nan 8.290 nan 0.000 0.542 392 L N 0.583 121.720 121.223 -0.143 0.000 2.439 392 L HA 0.502 4.842 4.340 -0.000 0.000 0.259 392 L C -0.122 176.673 176.870 -0.125 0.000 1.129 392 L CA -0.909 53.852 54.840 -0.132 0.000 0.803 392 L CB 1.210 43.198 42.059 -0.118 0.000 1.161 392 L HN 0.330 nan 8.230 nan 0.000 0.462 393 N N -3.245 115.391 118.700 -0.108 0.000 3.043 393 N HA 0.093 4.833 4.740 -0.000 0.000 0.243 393 N C 0.205 175.670 175.510 -0.076 0.000 1.347 393 N CA -0.231 52.767 53.050 -0.085 0.000 0.896 393 N CB 0.680 39.121 38.487 -0.078 0.000 1.501 393 N HN 0.567 nan 8.380 nan 0.000 0.504 394 T N -2.591 111.926 114.554 -0.060 0.000 2.751 394 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 394 T C 1.431 176.098 174.700 -0.055 0.000 1.045 394 T CA 1.749 63.816 62.100 -0.055 0.000 1.142 394 T CB -0.720 68.123 68.868 -0.041 0.000 0.851 394 T HN 0.821 nan 8.240 nan 0.000 0.474 395 A N 1.815 124.604 122.820 -0.052 0.000 2.238 395 A HA 0.258 4.578 4.320 -0.000 0.000 0.208 395 A C 1.736 179.287 177.584 -0.055 0.000 1.177 395 A CA 0.814 52.823 52.037 -0.047 0.000 0.804 395 A CB -0.446 18.532 19.000 -0.037 0.000 0.823 395 A HN 0.856 nan 8.150 nan 0.000 0.482 396 N N -2.331 116.325 118.700 -0.073 0.000 2.008 396 N HA -0.021 4.719 4.740 -0.000 0.000 0.228 396 N C 0.762 176.202 175.510 -0.117 0.000 1.375 396 N CA 0.887 53.886 53.050 -0.085 0.000 0.856 396 N CB -0.643 37.794 38.487 -0.083 0.000 1.096 396 N HN 0.054 nan 8.380 nan 0.000 0.489 397 V N 0.009 119.851 119.914 -0.121 0.000 2.392 397 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 397 V C 2.396 178.383 176.094 -0.178 0.000 1.059 397 V CA 1.728 63.935 62.300 -0.155 0.000 1.051 397 V CB -0.915 30.828 31.823 -0.133 0.000 0.658 397 V HN 0.239 nan 8.190 nan 0.000 0.455 398 Q N 0.110 119.828 119.800 -0.138 0.000 2.046 398 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 398 Q C 2.579 178.489 176.000 -0.151 0.000 0.975 398 Q CA 1.653 57.376 55.803 -0.134 0.000 0.836 398 Q CB -0.279 28.403 28.738 -0.093 0.000 0.896 398 Q HN 0.570 nan 8.270 nan 0.000 0.428 399 R N 0.318 120.742 120.500 -0.127 0.000 2.159 399 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 399 R C 2.072 178.251 176.300 -0.201 0.000 1.131 399 R CA 0.952 56.980 56.100 -0.120 0.000 0.982 399 R CB 0.071 30.333 30.300 -0.063 0.000 0.868 399 R HN 0.095 nan 8.270 nan 0.000 0.453 400 V N 0.091 119.842 119.914 -0.272 0.000 2.446 400 V HA -0.100 4.020 4.120 -0.000 0.000 0.244 400 V C 2.352 178.034 176.094 -0.687 0.000 1.039 400 V CA 1.637 63.655 62.300 -0.470 0.000 1.045 400 V CB -0.258 31.275 31.823 -0.484 0.000 0.681 400 V HN 0.443 nan 8.190 nan 0.000 0.459 401 A N 0.034 122.562 122.820 -0.487 0.000 1.898 401 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 401 A C 2.236 179.666 177.584 -0.256 0.000 1.181 401 A CA 1.771 53.572 52.037 -0.394 0.000 0.620 401 A CB -0.384 18.445 19.000 -0.284 0.000 0.819 401 A HN 0.528 nan 8.150 nan 0.000 0.442 402 K N -0.259 120.005 120.400 -0.227 0.000 2.217 402 K HA 0.054 4.374 4.320 -0.000 0.000 0.202 402 K C 2.150 178.584 176.600 -0.275 0.000 1.051 402 K CA 0.844 57.022 56.287 -0.183 0.000 0.952 402 K CB -0.221 32.197 32.500 -0.137 0.000 0.736 402 K HN 0.441 nan 8.250 nan 0.000 0.453 403 A N 1.098 123.685 122.820 -0.389 0.000 1.929 403 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 403 A C 1.783 179.171 177.584 -0.327 0.000 1.176 403 A CA 0.923 52.556 52.037 -0.674 0.000 0.628 403 A CB -0.441 18.227 19.000 -0.554 0.000 0.816 403 A HN 0.110 nan 8.150 nan 0.000 0.444 404 F N 0.549 120.341 119.950 -0.264 0.000 2.171 404 F HA 0.084 4.611 4.527 -0.000 0.000 0.300 404 F C 2.015 177.755 175.800 -0.099 0.000 1.090 404 F CA -0.095 57.824 58.000 -0.135 0.000 1.293 404 F CB -1.309 37.641 39.000 -0.083 0.000 1.013 404 F HN 0.227 nan 8.300 nan 0.000 0.486 408 V N 2.076 122.016 119.914 0.043 0.000 3.621 408 V HA 0.339 4.459 4.120 -0.000 0.000 0.285 408 V C 0.543 176.676 176.094 0.064 0.000 1.346 408 V CA 1.589 63.940 62.300 0.086 0.000 1.104 408 V CB -0.120 31.765 31.823 0.102 0.000 0.913 408 V HN 0.639 nan 8.190 nan 0.000 0.432 409 M N 0.000 119.638 119.600 0.063 0.000 2.572 409 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 409 M CA 0.000 55.333 55.300 0.055 0.000 0.988 409 M CB 0.000 32.640 32.600 0.067 0.000 1.302 409 M HN 0.000 nan 8.290 nan 0.000 0.411