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 1mra_1_A DATA FIRST_RESID 3 DATA SEQUENCE EVLITGLRTR AVNVPLAYPV HTAVGTVGTA PLVLIDLATS AGVVGHSYLF DATA SEQUENCE AYTPVALKSL KQLLDDMAAM IVNEPLAPVS LEAMLAKRFC LAGYTGLIRM DATA SEQUENCE AAAGIDMAAW DALGKVHETP LVKLLGANAR PVQAYDSHSL DGVKLATERA DATA SEQUENCE VTAAELGFRA VKTKIGYPAL DQDLAVVRSI RQAVGDDFGI MVDYNQSLDV DATA SEQUENCE PAAIKRSQAL QQEGVTWIEE PTLQHDYEGH QRIQSKLNVP VQMGENWLGP DATA SEQUENCE EEMFKALSIG ACRLAMPNAM KIGGVTGWIR ASALAQQFGI PMSSHLFQEI DATA SEQUENCE SAHLLAATPT AHWLERLDLA GSVIEPTLTF EGGNAVIPDL PGVGIIWREK DATA SEQUENCE EIGKYLV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.583 176.600 -0.028 0.000 1.382 3 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 3 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 4 V N 4.223 124.114 119.914 -0.038 0.000 2.350 4 V HA 0.457 4.581 4.120 0.007 0.000 0.276 4 V C 0.149 176.215 176.094 -0.047 0.000 1.028 4 V CA -0.346 61.925 62.300 -0.049 0.000 0.860 4 V CB 1.127 32.907 31.823 -0.072 0.000 0.990 4 V HN 0.171 nan 8.190 nan 0.000 0.453 5 L N 5.051 126.251 121.223 -0.039 0.000 2.330 5 L HA 0.621 4.965 4.340 0.007 0.000 0.271 5 L C -0.290 176.562 176.870 -0.030 0.000 1.013 5 L CA -0.834 53.987 54.840 -0.032 0.000 0.816 5 L CB 2.333 44.378 42.059 -0.022 0.000 1.287 5 L HN 0.432 nan 8.230 nan 0.000 0.435 6 I N 1.024 121.580 120.570 -0.024 0.000 2.416 6 I HA 0.032 4.206 4.170 0.007 0.000 0.288 6 I C 1.173 177.288 176.117 -0.004 0.000 1.051 6 I CA 0.217 61.508 61.300 -0.015 0.000 1.375 6 I CB 1.618 39.613 38.000 -0.009 0.000 1.407 6 I HN 0.765 nan 8.210 nan 0.000 0.516 7 T N 1.520 116.074 114.554 0.001 0.000 3.010 7 T HA 0.422 4.776 4.350 0.007 0.000 0.257 7 T C 0.427 175.137 174.700 0.016 0.000 1.020 7 T CA 0.084 62.188 62.100 0.006 0.000 0.938 7 T CB 0.393 69.263 68.868 0.004 0.000 1.049 7 T HN 0.761 nan 8.240 nan 0.000 0.522 8 G N 0.612 109.427 108.800 0.024 0.000 2.489 8 G HA2 0.518 4.482 3.960 0.007 0.000 0.291 8 G HA3 0.518 4.482 3.960 0.007 0.000 0.291 8 G C -2.623 172.306 174.900 0.048 0.000 1.487 8 G CA -0.814 44.307 45.100 0.035 0.000 0.795 8 G HN 0.429 nan 8.290 nan 0.000 0.513 9 L N 0.586 121.843 121.223 0.056 0.000 2.441 9 L HA 0.794 5.138 4.340 0.007 0.000 0.270 9 L C -0.241 176.672 176.870 0.072 0.000 0.973 9 L CA -0.677 54.206 54.840 0.071 0.000 0.842 9 L CB 1.751 43.852 42.059 0.070 0.000 1.239 9 L HN 0.659 nan 8.230 nan 0.000 0.406 10 R N 2.716 123.269 120.500 0.088 0.000 2.562 10 R HA 0.818 5.162 4.340 0.007 0.000 0.298 10 R C -1.240 175.103 176.300 0.071 0.000 0.961 10 R CA -0.115 56.028 56.100 0.071 0.000 0.881 10 R CB 1.746 32.086 30.300 0.068 0.000 1.159 10 R HN 0.777 nan 8.270 nan 0.000 0.450 11 T N 1.025 115.605 114.554 0.044 0.000 2.893 11 T HA 0.609 4.962 4.350 0.007 0.000 0.293 11 T C -0.534 174.162 174.700 -0.007 0.000 1.027 11 T CA -0.974 61.147 62.100 0.034 0.000 0.988 11 T CB 1.956 70.856 68.868 0.053 0.000 1.043 11 T HN 0.594 nan 8.240 nan 0.000 0.461 12 R N 0.908 121.383 120.500 -0.042 0.000 2.575 12 R HA 0.730 5.074 4.340 0.007 0.000 0.293 12 R C -1.044 175.228 176.300 -0.047 0.000 0.983 12 R CA -0.900 55.159 56.100 -0.068 0.000 0.887 12 R CB 2.413 32.627 30.300 -0.142 0.000 1.184 12 R HN 0.907 nan 8.270 nan 0.000 0.445 13 A N 3.106 125.914 122.820 -0.021 0.000 2.258 13 A HA 0.595 4.918 4.320 0.007 0.000 0.316 13 A C -0.065 177.520 177.584 0.001 0.000 1.279 13 A CA -0.588 51.450 52.037 0.003 0.000 0.876 13 A CB 0.569 19.580 19.000 0.018 0.000 1.170 13 A HN 0.492 nan 8.150 nan 0.000 0.520 14 V N 0.229 120.146 119.914 0.005 0.000 3.103 14 V HA 0.687 4.811 4.120 0.007 0.000 0.318 14 V C -0.328 175.780 176.094 0.023 0.000 1.114 14 V CA -1.205 61.111 62.300 0.027 0.000 1.020 14 V CB 2.160 34.001 31.823 0.030 0.000 1.085 14 V HN 0.678 nan 8.190 nan 0.000 0.446 15 N N 1.627 120.347 118.700 0.032 0.000 2.746 15 N HA 0.416 5.160 4.740 0.007 0.000 0.250 15 N C -0.663 174.770 175.510 -0.129 0.000 1.146 15 N CA -0.103 52.938 53.050 -0.014 0.000 0.828 15 N CB 1.463 39.958 38.487 0.012 0.000 1.158 15 N HN 0.943 nan 8.380 nan 0.000 0.519 16 V N 1.187 120.966 119.914 -0.226 0.000 2.649 16 V HA 0.670 4.794 4.120 0.007 0.000 0.292 16 V C -2.278 173.591 176.094 -0.374 0.000 1.055 16 V CA -1.868 60.151 62.300 -0.467 0.000 1.023 16 V CB 0.880 32.457 31.823 -0.411 0.000 0.992 16 V HN 0.272 nan 8.190 nan 0.000 0.480 17 P HA 0.308 nan 4.420 nan 0.000 0.271 17 P C 0.168 177.324 177.300 -0.240 0.000 1.218 17 P CA -0.117 62.797 63.100 -0.311 0.000 0.780 17 P CB 1.155 32.666 31.700 -0.314 0.000 0.901 18 L N 1.326 122.446 121.223 -0.171 0.000 2.783 18 L HA 0.492 4.836 4.340 0.007 0.000 0.174 18 L C 1.355 178.155 176.870 -0.115 0.000 1.235 18 L CA 0.916 55.670 54.840 -0.143 0.000 0.862 18 L CB -0.463 41.530 42.059 -0.109 0.000 1.249 18 L HN 0.557 nan 8.230 nan 0.000 0.518 19 A N -2.259 120.489 122.820 -0.119 0.000 3.546 19 A HA 0.033 4.357 4.320 0.007 0.000 0.055 19 A C -1.048 176.392 177.584 -0.240 0.000 1.304 19 A CA -0.578 51.357 52.037 -0.169 0.000 1.228 19 A CB -1.057 17.906 19.000 -0.061 0.000 0.906 19 A HN 0.035 nan 8.150 nan 0.000 0.426 20 Y N 0.900 121.193 120.300 -0.010 0.000 2.240 20 Y HA 0.534 5.088 4.550 0.007 0.000 0.341 20 Y C -2.071 173.861 175.900 0.053 0.000 1.326 20 Y CA -1.109 57.016 58.100 0.041 0.000 1.569 20 Y CB 0.446 38.935 38.460 0.049 0.000 1.426 20 Y HN 0.254 nan 8.280 nan 0.000 0.587 21 P HA 0.170 nan 4.420 nan 0.000 0.182 21 P C -1.226 176.183 177.300 0.182 0.000 1.810 21 P CA -0.522 62.645 63.100 0.112 0.000 1.436 21 P CB 1.024 32.688 31.700 -0.060 0.000 1.434 22 V N 0.932 120.984 119.914 0.229 0.000 5.309 22 V HA -0.259 3.865 4.120 0.007 0.000 0.150 22 V C 0.327 176.579 176.094 0.263 0.000 0.738 22 V CA 0.695 63.135 62.300 0.234 0.000 0.597 22 V CB -2.489 29.422 31.823 0.147 0.000 0.226 22 V HN 0.504 nan 8.190 nan 0.000 0.337 23 H N 1.803 120.910 119.070 0.061 0.000 3.226 23 H HA 0.421 4.981 4.556 0.006 0.000 0.260 23 H C 0.980 176.324 175.328 0.026 0.000 0.967 23 H CA 0.411 56.485 56.048 0.044 0.000 1.435 23 H CB -0.498 29.288 29.762 0.041 0.000 1.533 23 H HN 0.816 nan 8.280 nan 0.000 0.525 24 T N -1.615 113.024 114.554 0.142 0.000 2.934 24 T HA 0.534 4.888 4.350 0.007 0.000 0.283 24 T C 1.292 176.008 174.700 0.027 0.000 1.005 24 T CA -0.698 61.452 62.100 0.084 0.000 1.041 24 T CB 1.499 70.433 68.868 0.109 0.000 1.042 24 T HN 0.604 nan 8.240 nan 0.000 0.505 25 A N 1.180 123.998 122.820 -0.004 0.000 2.121 25 A HA 0.344 4.668 4.320 0.007 0.000 0.204 25 A C 1.239 178.824 177.584 0.002 0.000 1.365 25 A CA 0.661 52.679 52.037 -0.033 0.000 1.070 25 A CB -1.104 17.892 19.000 -0.007 0.000 0.756 25 A HN 0.990 nan 8.150 nan 0.000 0.521 26 V N -3.683 116.239 119.914 0.014 0.000 3.264 26 V HA 0.307 4.431 4.120 0.007 0.000 0.212 26 V C 0.868 176.979 176.094 0.028 0.000 1.617 26 V CA 0.710 63.022 62.300 0.020 0.000 1.064 26 V CB 0.100 31.938 31.823 0.025 0.000 1.059 26 V HN 0.714 nan 8.190 nan 0.000 0.482 27 G N 0.097 108.923 108.800 0.043 0.000 2.766 27 G HA2 0.666 4.630 3.960 0.007 0.000 0.288 27 G HA3 0.666 4.630 3.960 0.007 0.000 0.288 27 G C -0.758 174.180 174.900 0.063 0.000 1.408 27 G CA 0.288 45.417 45.100 0.048 0.000 0.852 27 G HN 0.535 nan 8.290 nan 0.000 0.487 28 T N -3.134 111.450 114.554 0.051 0.000 2.883 28 T HA 0.702 5.056 4.350 0.007 0.000 0.296 28 T C -1.294 173.423 174.700 0.028 0.000 1.117 28 T CA -0.746 61.379 62.100 0.041 0.000 1.006 28 T CB 1.830 70.697 68.868 -0.001 0.000 1.191 28 T HN 0.950 nan 8.240 nan 0.000 0.508 29 V N 1.560 121.485 119.914 0.018 0.000 2.447 29 V HA 0.628 4.752 4.120 0.007 0.000 0.292 29 V C 1.187 177.271 176.094 -0.017 0.000 1.021 29 V CA -0.364 61.957 62.300 0.034 0.000 0.850 29 V CB 0.913 32.801 31.823 0.109 0.000 1.005 29 V HN 1.219 nan 8.190 nan 0.000 0.426 30 G N 3.699 112.480 108.800 -0.032 0.000 2.425 30 G HA2 0.077 4.041 3.960 0.007 0.000 0.213 30 G HA3 0.077 4.041 3.960 0.007 0.000 0.213 30 G C 0.728 175.597 174.900 -0.051 0.000 1.201 30 G CA 1.250 46.318 45.100 -0.054 0.000 0.799 30 G HN 0.737 nan 8.290 nan 0.000 0.534 31 T N -2.774 111.759 114.554 -0.036 0.000 2.870 31 T HA 0.714 5.068 4.350 0.007 0.000 0.277 31 T C -0.615 174.071 174.700 -0.023 0.000 1.000 31 T CA -0.183 61.883 62.100 -0.057 0.000 0.982 31 T CB 2.119 70.955 68.868 -0.054 0.000 1.249 31 T HN 0.699 nan 8.240 nan 0.000 0.589 32 A N 1.993 124.785 122.820 -0.046 0.000 2.332 32 A HA 0.723 5.047 4.320 0.007 0.000 0.300 32 A C -2.978 174.650 177.584 0.073 0.000 1.153 32 A CA -1.941 50.115 52.037 0.031 0.000 0.764 32 A CB 1.082 20.009 19.000 -0.121 0.000 1.174 32 A HN 0.660 nan 8.150 nan 0.000 0.467 33 P HA 0.543 nan 4.420 nan 0.000 0.292 33 P C -0.939 176.463 177.300 0.170 0.000 1.326 33 P CA 0.039 63.206 63.100 0.112 0.000 0.787 33 P CB 0.772 32.509 31.700 0.063 0.000 0.903 34 L N 2.921 124.210 121.223 0.111 0.000 2.333 34 L HA 0.673 5.017 4.340 0.007 0.000 0.263 34 L C -0.349 176.589 176.870 0.113 0.000 1.014 34 L CA -1.424 53.505 54.840 0.150 0.000 0.820 34 L CB 2.343 44.461 42.059 0.098 0.000 1.352 34 L HN -0.019 nan 8.230 nan 0.000 0.421 35 V N 2.873 122.887 119.914 0.168 0.000 2.350 35 V HA 0.393 4.517 4.120 0.007 0.000 0.285 35 V C -0.113 176.084 176.094 0.170 0.000 1.014 35 V CA -0.430 61.947 62.300 0.128 0.000 0.831 35 V CB 1.544 33.442 31.823 0.126 0.000 1.000 35 V HN 0.451 nan 8.190 nan 0.000 0.433 36 L N 5.848 127.104 121.223 0.055 0.000 2.292 36 L HA 0.650 4.994 4.340 0.007 0.000 0.284 36 L C -0.493 176.431 176.870 0.090 0.000 1.065 36 L CA -0.316 54.539 54.840 0.025 0.000 0.806 36 L CB 0.948 42.681 42.059 -0.543 0.000 1.175 36 L HN 0.411 nan 8.230 nan 0.000 0.431 37 I N 2.465 123.227 120.570 0.319 0.000 2.406 37 I HA 0.294 4.468 4.170 0.007 0.000 0.290 37 I C -0.733 175.662 176.117 0.464 0.000 0.999 37 I CA -0.285 61.202 61.300 0.310 0.000 1.124 37 I CB 1.923 40.080 38.000 0.261 0.000 1.289 37 I HN 0.583 nan 8.210 nan 0.000 0.441 38 D N 7.419 128.029 120.400 0.350 0.000 2.425 38 D HA 0.361 5.005 4.640 0.007 0.000 0.240 38 D C -0.883 175.543 176.300 0.210 0.000 1.080 38 D CA -0.319 53.912 54.000 0.386 0.000 0.836 38 D CB 2.963 43.991 40.800 0.380 0.000 1.125 38 D HN 0.228 nan 8.370 nan 0.000 0.525 39 L N 2.359 123.675 121.223 0.155 0.000 2.295 39 L HA 0.522 4.866 4.340 0.007 0.000 0.281 39 L C -0.410 176.485 176.870 0.042 0.000 1.018 39 L CA -0.384 54.506 54.840 0.083 0.000 0.841 39 L CB 1.099 43.197 42.059 0.064 0.000 1.218 39 L HN 0.362 nan 8.230 nan 0.000 0.424 40 A N 3.171 126.017 122.820 0.044 0.000 2.354 40 A HA 0.664 4.988 4.320 0.007 0.000 0.269 40 A C 0.189 177.774 177.584 0.001 0.000 1.109 40 A CA 0.267 52.318 52.037 0.023 0.000 0.800 40 A CB 0.413 19.434 19.000 0.035 0.000 1.045 40 A HN 0.733 nan 8.150 nan 0.000 0.489 41 T N -1.610 112.936 114.554 -0.014 0.000 2.906 41 T HA 0.465 4.819 4.350 0.007 0.000 0.295 41 T C 0.980 175.666 174.700 -0.024 0.000 1.075 41 T CA 0.128 62.212 62.100 -0.027 0.000 1.005 41 T CB 1.225 70.063 68.868 -0.050 0.000 1.136 41 T HN 1.200 nan 8.240 nan 0.000 0.498 42 S N 0.869 116.553 115.700 -0.027 0.000 2.469 42 S HA 0.010 4.484 4.470 0.007 0.000 0.238 42 S C 1.968 176.551 174.600 -0.028 0.000 0.998 42 S CA 0.532 58.718 58.200 -0.023 0.000 0.957 42 S CB -0.768 62.418 63.200 -0.023 0.000 0.764 42 S HN 1.124 nan 8.310 nan 0.000 0.514 43 A N 0.751 123.547 122.820 -0.041 0.000 2.278 43 A HA 0.577 4.901 4.320 0.007 0.000 0.212 43 A C 1.712 179.273 177.584 -0.038 0.000 1.213 43 A CA 0.377 52.386 52.037 -0.047 0.000 0.840 43 A CB -1.156 17.800 19.000 -0.072 0.000 0.866 43 A HN 1.442 nan 8.150 nan 0.000 0.489 44 G N -1.125 107.658 108.800 -0.028 0.000 2.148 44 G HA2 -0.160 3.804 3.960 0.007 0.000 0.254 44 G HA3 -0.160 3.804 3.960 0.007 0.000 0.254 44 G C 0.237 175.122 174.900 -0.025 0.000 0.981 44 G CA 0.490 45.579 45.100 -0.019 0.000 0.670 44 G HN 1.668 nan 8.290 nan 0.000 0.528 45 V N -2.213 117.676 119.914 -0.043 0.000 2.555 45 V HA 0.878 5.002 4.120 0.007 0.000 0.302 45 V C 0.314 176.367 176.094 -0.068 0.000 1.038 45 V CA -1.391 60.872 62.300 -0.062 0.000 0.887 45 V CB 2.183 33.955 31.823 -0.086 0.000 0.991 45 V HN 0.499 nan 8.190 nan 0.000 0.434 46 V N 3.683 123.541 119.914 -0.093 0.000 2.398 46 V HA 0.782 4.906 4.120 0.007 0.000 0.286 46 V C 0.986 176.902 176.094 -0.296 0.000 1.026 46 V CA 0.247 62.482 62.300 -0.108 0.000 0.868 46 V CB 1.347 33.165 31.823 -0.007 0.000 0.982 46 V HN 1.220 nan 8.190 nan 0.000 0.443 47 G N 3.112 111.788 108.800 -0.205 0.000 2.451 47 G HA2 0.650 4.614 3.960 0.007 0.000 0.303 47 G HA3 0.650 4.614 3.960 0.007 0.000 0.303 47 G C -0.800 173.975 174.900 -0.208 0.000 1.166 47 G CA -0.327 44.622 45.100 -0.251 0.000 0.884 47 G HN 0.710 nan 8.290 nan 0.000 0.514 48 H N -0.826 118.243 119.070 -0.001 0.000 2.865 48 H HA 0.774 5.334 4.556 0.006 0.000 0.372 48 H C -0.049 175.307 175.328 0.047 0.000 1.173 48 H CA -0.462 55.603 56.048 0.029 0.000 1.147 48 H CB 2.022 31.572 29.762 -0.353 0.000 1.805 48 H HN 0.803 nan 8.280 nan 0.000 0.553 49 S N 0.370 116.284 115.700 0.358 0.000 2.636 49 S HA 0.591 5.065 4.470 0.007 0.000 0.266 49 S C -1.841 173.062 174.600 0.505 0.000 1.147 49 S CA -0.975 57.382 58.200 0.260 0.000 0.815 49 S CB 1.835 65.111 63.200 0.127 0.000 1.119 49 S HN 0.738 nan 8.310 nan 0.000 0.470 50 Y N -0.882 119.649 120.300 0.383 0.000 2.615 50 Y HA 0.874 5.428 4.550 0.007 0.000 0.341 50 Y C -1.799 174.332 175.900 0.385 0.000 1.089 50 Y CA -1.508 56.818 58.100 0.376 0.000 1.049 50 Y CB 0.966 39.646 38.460 0.368 0.000 1.296 50 Y HN 0.780 nan 8.280 nan 0.000 0.470 51 L N 2.488 124.031 121.223 0.533 0.000 2.370 51 L HA 0.504 4.848 4.340 0.007 0.000 0.266 51 L C -1.456 175.729 176.870 0.525 0.000 1.002 51 L CA -0.921 54.203 54.840 0.473 0.000 0.818 51 L CB 2.402 44.630 42.059 0.280 0.000 1.325 51 L HN 0.703 nan 8.230 nan 0.000 0.418 52 F N 1.421 121.536 119.950 0.276 0.000 2.427 52 F HA 0.564 5.095 4.527 0.006 0.000 0.346 52 F C 0.465 176.237 175.800 -0.046 0.000 1.120 52 F CA -1.106 56.893 58.000 -0.001 0.000 1.033 52 F CB 1.787 40.627 39.000 -0.268 0.000 1.126 52 F HN 0.458 nan 8.300 nan 0.000 0.462 53 A N 5.067 127.689 122.820 -0.331 0.000 2.345 53 A HA 0.229 4.553 4.320 0.007 0.000 0.225 53 A C 0.738 178.034 177.584 -0.480 0.000 1.243 53 A CA 0.306 52.181 52.037 -0.270 0.000 0.875 53 A CB -1.066 17.900 19.000 -0.058 0.000 0.929 53 A HN 0.978 nan 8.150 nan 0.000 0.502 54 Y N -1.282 118.061 120.300 -1.595 0.000 2.742 54 Y HA -0.317 4.237 4.550 0.007 0.000 0.487 54 Y C 1.161 176.844 175.900 -0.361 0.000 1.079 54 Y CA 1.868 59.351 58.100 -1.028 0.000 2.996 54 Y CB -1.602 36.578 38.460 -0.466 0.000 0.922 54 Y HN 0.468 nan 8.280 nan 0.000 0.563 55 T N 1.320 115.832 114.554 -0.070 0.000 2.876 55 T HA 0.474 4.828 4.350 0.007 0.000 0.289 55 T C -2.125 172.570 174.700 -0.008 0.000 1.014 55 T CA -1.645 60.451 62.100 -0.006 0.000 0.986 55 T CB 2.242 71.120 68.868 0.016 0.000 1.021 55 T HN -0.078 nan 8.240 nan 0.000 0.458 56 P HA 0.001 nan 4.420 nan 0.000 0.223 56 P C 1.679 178.986 177.300 0.012 0.000 1.151 56 P CA 0.502 63.611 63.100 0.013 0.000 0.787 56 P CB -0.050 31.660 31.700 0.017 0.000 0.788 57 V N 0.844 120.764 119.914 0.010 0.000 2.380 57 V HA -0.233 3.891 4.120 0.007 0.000 0.251 57 V C 2.435 178.535 176.094 0.010 0.000 1.063 57 V CA 2.364 64.669 62.300 0.010 0.000 1.055 57 V CB -1.562 30.265 31.823 0.008 0.000 0.657 57 V HN 0.166 nan 8.190 nan 0.000 0.455 58 A N -1.340 121.486 122.820 0.010 0.000 2.308 58 A HA 0.206 4.530 4.320 0.007 0.000 0.217 58 A C 1.826 179.422 177.584 0.020 0.000 1.216 58 A CA 0.276 52.321 52.037 0.014 0.000 0.864 58 A CB -0.144 18.865 19.000 0.015 0.000 0.902 58 A HN 0.425 nan 8.150 nan 0.000 0.499 59 L N 0.401 121.636 121.223 0.020 0.000 1.961 59 L HA -0.157 4.187 4.340 0.007 0.000 0.210 59 L C 2.302 179.189 176.870 0.030 0.000 1.072 59 L CA 2.198 57.055 54.840 0.027 0.000 0.749 59 L CB -0.343 41.733 42.059 0.028 0.000 0.889 59 L HN 0.305 nan 8.230 nan 0.000 0.432 60 K N -0.917 119.498 120.400 0.025 0.000 2.103 60 K HA -0.168 4.156 4.320 0.007 0.000 0.207 60 K C 2.305 178.921 176.600 0.027 0.000 1.048 60 K CA 1.521 57.822 56.287 0.025 0.000 0.930 60 K CB -0.818 31.694 32.500 0.020 0.000 0.716 60 K HN 0.425 nan 8.250 nan 0.000 0.444 61 S N 1.540 117.255 115.700 0.025 0.000 2.353 61 S HA -0.154 4.319 4.470 0.007 0.000 0.222 61 S C 1.997 176.615 174.600 0.031 0.000 1.035 61 S CA 1.029 59.244 58.200 0.026 0.000 1.025 61 S CB -0.247 62.965 63.200 0.020 0.000 0.902 61 S HN 0.254 nan 8.310 nan 0.000 0.440 62 L N 1.953 123.197 121.223 0.034 0.000 2.079 62 L HA -0.038 4.306 4.340 0.007 0.000 0.210 62 L C 2.269 179.168 176.870 0.049 0.000 1.081 62 L CA 2.343 57.208 54.840 0.042 0.000 0.752 62 L CB -0.787 41.304 42.059 0.054 0.000 0.896 62 L HN 0.394 nan 8.230 nan 0.000 0.433 63 K N -1.035 119.394 120.400 0.048 0.000 2.001 63 K HA -0.266 4.058 4.320 0.007 0.000 0.208 63 K C 2.237 178.865 176.600 0.048 0.000 1.048 63 K CA 1.606 57.922 56.287 0.049 0.000 0.932 63 K CB -0.370 32.154 32.500 0.040 0.000 0.715 63 K HN 0.256 nan 8.250 nan 0.000 0.437 64 Q N 0.848 120.673 119.800 0.042 0.000 2.173 64 Q HA -0.190 4.154 4.340 0.007 0.000 0.208 64 Q C 1.935 177.966 176.000 0.053 0.000 0.989 64 Q CA 1.832 57.660 55.803 0.042 0.000 0.872 64 Q CB -0.442 28.318 28.738 0.037 0.000 0.909 64 Q HN 0.466 nan 8.270 nan 0.000 0.420 65 L N -0.887 120.368 121.223 0.054 0.000 2.093 65 L HA -0.033 4.311 4.340 0.007 0.000 0.208 65 L C 1.889 178.807 176.870 0.081 0.000 1.085 65 L CA 1.455 56.334 54.840 0.064 0.000 0.755 65 L CB -0.248 41.836 42.059 0.042 0.000 0.904 65 L HN 0.338 nan 8.230 nan 0.000 0.435 66 L N -0.863 120.404 121.223 0.073 0.000 2.131 66 L HA -0.113 4.231 4.340 0.007 0.000 0.206 66 L C 2.103 179.022 176.870 0.081 0.000 1.087 66 L CA 0.884 55.773 54.840 0.083 0.000 0.767 66 L CB -0.586 41.520 42.059 0.080 0.000 0.917 66 L HN 0.207 nan 8.230 nan 0.000 0.441 67 D N -0.001 120.440 120.400 0.068 0.000 2.117 67 D HA -0.190 4.454 4.640 0.007 0.000 0.197 67 D C 1.669 178.006 176.300 0.063 0.000 0.987 67 D CA 1.198 55.234 54.000 0.059 0.000 0.829 67 D CB -0.129 40.699 40.800 0.048 0.000 0.961 67 D HN 0.255 nan 8.370 nan 0.000 0.460 68 D N -0.619 119.824 120.400 0.072 0.000 2.317 68 D HA 0.002 4.646 4.640 0.007 0.000 0.211 68 D C 1.820 178.177 176.300 0.095 0.000 0.966 68 D CA 0.385 54.431 54.000 0.076 0.000 0.876 68 D CB 0.019 40.867 40.800 0.079 0.000 0.927 68 D HN 0.318 nan 8.370 nan 0.000 0.519 69 M N -0.076 119.595 119.600 0.119 0.000 2.509 69 M HA 0.156 4.640 4.480 0.007 0.000 0.250 69 M C 2.122 178.483 176.300 0.103 0.000 1.132 69 M CA 0.045 55.432 55.300 0.146 0.000 1.080 69 M CB 0.316 33.043 32.600 0.211 0.000 1.408 69 M HN -0.111 nan 8.290 nan 0.000 0.484 70 A N 1.220 124.089 122.820 0.082 0.000 1.948 70 A HA -0.148 4.176 4.320 0.007 0.000 0.220 70 A C 2.417 180.031 177.584 0.049 0.000 1.177 70 A CA 2.125 54.202 52.037 0.065 0.000 0.636 70 A CB -0.798 18.236 19.000 0.057 0.000 0.815 70 A HN 0.497 nan 8.150 nan 0.000 0.449 71 A N -0.689 122.157 122.820 0.043 0.000 1.933 71 A HA -0.149 4.175 4.320 0.007 0.000 0.218 71 A C 2.234 179.829 177.584 0.019 0.000 1.175 71 A CA 1.844 53.897 52.037 0.027 0.000 0.628 71 A CB -0.538 18.475 19.000 0.021 0.000 0.814 71 A HN 0.552 nan 8.150 nan 0.000 0.444 72 M N -0.507 119.108 119.600 0.025 0.000 2.213 72 M HA -0.089 4.395 4.480 0.007 0.000 0.263 72 M C 2.057 178.368 176.300 0.018 0.000 1.062 72 M CA 1.838 57.145 55.300 0.011 0.000 1.105 72 M CB -0.422 32.188 32.600 0.016 0.000 1.385 72 M HN 0.740 nan 8.290 nan 0.000 0.417 73 I N -3.169 117.422 120.570 0.035 0.000 3.462 73 I HA 0.139 4.313 4.170 0.007 0.000 0.290 73 I C 0.653 176.781 176.117 0.018 0.000 1.236 73 I CA -0.234 61.085 61.300 0.030 0.000 1.418 73 I CB -0.006 38.023 38.000 0.048 0.000 1.102 73 I HN -0.229 nan 8.210 nan 0.000 0.441 74 V N 4.051 123.976 119.914 0.019 0.000 2.999 74 V HA 0.016 4.140 4.120 0.007 0.000 0.307 74 V C 1.022 177.118 176.094 0.003 0.000 1.084 74 V CA 0.557 62.865 62.300 0.012 0.000 1.155 74 V CB 0.115 31.947 31.823 0.015 0.000 0.975 74 V HN 0.708 nan 8.190 nan 0.000 0.490 75 N N 0.226 118.926 118.700 -0.001 0.000 2.900 75 N HA -0.154 4.590 4.740 0.007 0.000 0.240 75 N C 0.334 175.837 175.510 -0.011 0.000 0.953 75 N CA 1.206 54.252 53.050 -0.006 0.000 0.950 75 N CB -0.446 38.038 38.487 -0.005 0.000 1.102 75 N HN 0.764 nan 8.380 nan 0.000 0.593 76 E N 0.864 121.057 120.200 -0.011 0.000 2.349 76 E HA 0.369 4.723 4.350 0.007 0.000 0.265 76 E C -2.072 174.512 176.600 -0.026 0.000 1.064 76 E CA -1.601 54.789 56.400 -0.017 0.000 0.886 76 E CB 0.461 30.154 29.700 -0.013 0.000 1.036 76 E HN 0.111 nan 8.360 nan 0.000 0.413 77 P HA 0.079 nan 4.420 nan 0.000 0.274 77 P C 0.013 177.276 177.300 -0.062 0.000 1.231 77 P CA -0.513 62.560 63.100 -0.044 0.000 0.790 77 P CB 0.437 32.112 31.700 -0.043 0.000 0.951 78 L N 1.849 123.027 121.223 -0.076 0.000 2.388 78 L HA 0.351 4.695 4.340 0.007 0.000 0.252 78 L C -0.191 176.586 176.870 -0.155 0.000 1.357 78 L CA 0.207 54.981 54.840 -0.108 0.000 1.214 78 L CB -1.645 40.349 42.059 -0.109 0.000 1.392 78 L HN 0.347 nan 8.230 nan 0.000 0.432 79 A N 4.671 127.397 122.820 -0.156 0.000 2.893 79 A HA 0.570 4.894 4.320 0.007 0.000 0.333 79 A C -1.736 175.720 177.584 -0.213 0.000 1.152 79 A CA -1.016 50.903 52.037 -0.196 0.000 0.782 79 A CB 0.306 19.233 19.000 -0.121 0.000 1.108 79 A HN 0.473 nan 8.150 nan 0.000 0.469 80 P HA -0.250 nan 4.420 nan 0.000 0.219 80 P C 1.682 178.921 177.300 -0.102 0.000 1.161 80 P CA 1.808 64.718 63.100 -0.317 0.000 0.909 80 P CB 0.069 31.279 31.700 -0.816 0.000 0.793 81 V N -0.307 119.555 119.914 -0.087 0.000 2.332 81 V HA -0.246 3.878 4.120 0.007 0.000 0.248 81 V C 2.519 178.624 176.094 0.019 0.000 1.055 81 V CA 2.518 64.842 62.300 0.041 0.000 1.038 81 V CB -1.476 30.390 31.823 0.071 0.000 0.651 81 V HN 0.181 nan 8.190 nan 0.000 0.450 82 S N -0.297 115.389 115.700 -0.022 0.000 2.357 82 S HA -0.111 4.363 4.470 0.007 0.000 0.221 82 S C 1.892 176.487 174.600 -0.007 0.000 1.031 82 S CA 1.080 59.270 58.200 -0.017 0.000 0.982 82 S CB -0.401 62.781 63.200 -0.031 0.000 0.853 82 S HN 0.333 nan 8.310 nan 0.000 0.458 83 L N 2.524 123.739 121.223 -0.014 0.000 1.978 83 L HA -0.164 4.180 4.340 0.007 0.000 0.218 83 L C 2.593 179.494 176.870 0.051 0.000 1.075 83 L CA 1.886 56.732 54.840 0.010 0.000 0.767 83 L CB -1.060 40.998 42.059 -0.002 0.000 0.890 83 L HN 0.266 nan 8.230 nan 0.000 0.434 84 E N -0.351 119.893 120.200 0.074 0.000 2.070 84 E HA -0.242 4.112 4.350 0.007 0.000 0.197 84 E C 2.046 178.693 176.600 0.079 0.000 1.004 84 E CA 1.634 58.112 56.400 0.130 0.000 0.805 84 E CB -0.123 29.670 29.700 0.156 0.000 0.744 84 E HN 0.493 nan 8.360 nan 0.000 0.451 85 A N 1.781 124.621 122.820 0.033 0.000 1.877 85 A HA -0.174 4.150 4.320 0.007 0.000 0.216 85 A C 2.363 179.915 177.584 -0.053 0.000 1.186 85 A CA 2.124 54.150 52.037 -0.018 0.000 0.620 85 A CB -0.714 18.280 19.000 -0.011 0.000 0.822 85 A HN 0.430 nan 8.150 nan 0.000 0.443 86 M N -0.330 119.255 119.600 -0.025 0.000 2.149 86 M HA -0.117 4.367 4.480 0.007 0.000 0.261 86 M C 1.871 178.149 176.300 -0.036 0.000 1.064 86 M CA 1.767 57.046 55.300 -0.035 0.000 1.102 86 M CB -0.625 31.964 32.600 -0.019 0.000 1.369 86 M HN 0.414 nan 8.290 nan 0.000 0.408 87 L N 0.116 121.358 121.223 0.030 0.000 2.156 87 L HA -0.076 4.268 4.340 0.007 0.000 0.208 87 L C 2.715 179.572 176.870 -0.023 0.000 1.095 87 L CA 0.921 55.848 54.840 0.145 0.000 0.770 87 L CB -0.919 41.374 42.059 0.389 0.000 0.914 87 L HN 0.330 nan 8.230 nan 0.000 0.439 88 A N -0.179 122.409 122.820 -0.386 0.000 1.969 88 A HA -0.207 4.117 4.320 0.007 0.000 0.218 88 A C 2.429 179.765 177.584 -0.413 0.000 1.169 88 A CA 1.562 53.027 52.037 -0.954 0.000 0.635 88 A CB -0.327 18.121 19.000 -0.920 0.000 0.810 88 A HN 0.304 nan 8.150 nan 0.000 0.445 89 K N -0.555 119.715 120.400 -0.216 0.000 2.116 89 K HA -0.073 4.251 4.320 0.007 0.000 0.203 89 K C 1.825 178.350 176.600 -0.125 0.000 1.052 89 K CA 0.596 56.803 56.287 -0.135 0.000 0.952 89 K CB -0.069 32.369 32.500 -0.102 0.000 0.729 89 K HN 0.281 nan 8.250 nan 0.000 0.446 90 R N -0.369 120.030 120.500 -0.169 0.000 2.285 90 R HA -0.075 4.269 4.340 0.007 0.000 0.213 90 R C 0.916 176.994 176.300 -0.371 0.000 1.068 90 R CA 0.862 56.780 56.100 -0.303 0.000 1.004 90 R CB -0.105 29.924 30.300 -0.452 0.000 0.873 90 R HN 0.223 nan 8.270 nan 0.000 0.467 91 F N -0.659 119.283 119.950 -0.013 0.000 2.729 91 F HA 0.090 4.620 4.527 0.006 0.000 0.315 91 F C 1.883 177.717 175.800 0.058 0.000 1.102 91 F CA -0.718 57.321 58.000 0.064 0.000 1.204 91 F CB -0.344 38.774 39.000 0.197 0.000 1.052 91 F HN -0.006 nan 8.300 nan 0.000 0.551 92 C N -0.566 118.811 119.300 0.128 0.000 2.401 92 C HA -0.144 4.320 4.460 0.007 0.000 0.286 92 C C 2.201 177.248 174.990 0.095 0.000 1.332 92 C CA 0.653 59.724 59.018 0.088 0.000 1.795 92 C CB -1.549 26.199 27.740 0.013 0.000 1.922 92 C HN 0.530 nan 8.230 nan 0.000 0.520 93 L N 0.902 122.180 121.223 0.092 0.000 2.200 93 L HA 0.158 4.502 4.340 0.007 0.000 0.200 93 L C 3.148 180.078 176.870 0.101 0.000 1.072 93 L CA 1.156 56.041 54.840 0.075 0.000 0.787 93 L CB -0.838 41.248 42.059 0.046 0.000 0.957 93 L HN 0.294 nan 8.230 nan 0.000 0.459 94 A N 0.091 123.003 122.820 0.154 0.000 2.014 94 A HA 0.236 4.560 4.320 0.007 0.000 0.218 94 A C 1.231 178.899 177.584 0.140 0.000 1.163 94 A CA 1.115 53.249 52.037 0.163 0.000 0.652 94 A CB -0.449 18.702 19.000 0.251 0.000 0.808 94 A HN 0.509 nan 8.150 nan 0.000 0.449 95 G N -2.210 106.693 108.800 0.173 0.000 2.992 95 G HA2 -0.084 3.880 3.960 0.007 0.000 0.677 95 G HA3 -0.084 3.880 3.960 0.007 0.000 0.677 95 G C -0.430 174.564 174.900 0.158 0.000 1.191 95 G CA -0.169 45.013 45.100 0.137 0.000 1.178 95 G HN 0.715 nan 8.290 nan 0.000 0.506 96 Y N 2.912 123.243 120.300 0.052 0.000 3.028 96 Y HA 0.536 5.089 4.550 0.006 0.000 0.381 96 Y C 0.979 176.872 175.900 -0.012 0.000 1.139 96 Y CA 0.970 59.081 58.100 0.019 0.000 2.013 96 Y CB -0.087 38.420 38.460 0.079 0.000 2.146 96 Y HN 0.777 nan 8.280 nan 0.000 0.412 97 T N -0.739 113.727 114.554 -0.148 0.000 2.645 97 T HA 0.598 4.952 4.350 0.007 0.000 0.300 97 T C 0.332 174.945 174.700 -0.145 0.000 1.210 97 T CA 0.093 62.098 62.100 -0.157 0.000 1.034 97 T CB 0.512 69.351 68.868 -0.048 0.000 1.537 97 T HN 0.739 nan 8.240 nan 0.000 0.492 98 G N 0.800 109.542 108.800 -0.096 0.000 2.578 98 G HA2 -0.235 3.729 3.960 0.007 0.000 0.284 98 G HA3 -0.235 3.729 3.960 0.007 0.000 0.284 98 G C 1.043 175.885 174.900 -0.097 0.000 1.283 98 G CA 0.477 45.531 45.100 -0.078 0.000 0.944 98 G HN 0.978 nan 8.290 nan 0.000 0.558 99 L N -0.224 120.954 121.223 -0.075 0.000 2.051 99 L HA -0.185 4.159 4.340 0.007 0.000 0.214 99 L C 3.048 179.846 176.870 -0.120 0.000 1.076 99 L CA 2.068 56.870 54.840 -0.064 0.000 0.758 99 L CB -0.493 41.542 42.059 -0.041 0.000 0.890 99 L HN 0.565 nan 8.230 nan 0.000 0.433 100 I N -0.906 119.541 120.570 -0.204 0.000 2.179 100 I HA -0.324 3.850 4.170 0.007 0.000 0.242 100 I C 2.753 178.636 176.117 -0.390 0.000 1.088 100 I CA 1.133 62.200 61.300 -0.388 0.000 1.357 100 I CB -0.184 37.477 38.000 -0.565 0.000 1.051 100 I HN 0.193 nan 8.210 nan 0.000 0.409 101 R N 0.881 121.156 120.500 -0.374 0.000 2.075 101 R HA -0.111 4.233 4.340 0.007 0.000 0.232 101 R C 2.230 178.407 176.300 -0.204 0.000 1.126 101 R CA 1.646 57.493 56.100 -0.422 0.000 0.963 101 R CB -0.290 29.740 30.300 -0.450 0.000 0.858 101 R HN 0.237 nan 8.270 nan 0.000 0.435 102 M N -0.537 118.995 119.600 -0.114 0.000 2.080 102 M HA -0.129 4.355 4.480 0.007 0.000 0.260 102 M C 2.327 178.619 176.300 -0.012 0.000 1.068 102 M CA 1.996 57.283 55.300 -0.021 0.000 1.109 102 M CB -0.443 32.185 32.600 0.048 0.000 1.342 102 M HN 0.300 nan 8.290 nan 0.000 0.405 103 A N 0.566 123.366 122.820 -0.034 0.000 1.908 103 A HA -0.081 4.243 4.320 0.007 0.000 0.218 103 A C 2.419 180.012 177.584 0.015 0.000 1.181 103 A CA 2.033 54.071 52.037 0.000 0.000 0.627 103 A CB -1.027 17.967 19.000 -0.010 0.000 0.818 103 A HN 0.514 nan 8.150 nan 0.000 0.445 104 A N -0.181 122.626 122.820 -0.021 0.000 1.940 104 A HA 0.109 4.433 4.320 0.007 0.000 0.219 104 A C 2.481 180.101 177.584 0.060 0.000 1.176 104 A CA 2.197 54.267 52.037 0.054 0.000 0.631 104 A CB -0.969 18.079 19.000 0.080 0.000 0.814 104 A HN 1.108 nan 8.150 nan 0.000 0.446 105 A N -0.601 122.227 122.820 0.014 0.000 1.930 105 A HA 0.154 4.477 4.320 0.007 0.000 0.217 105 A C 2.372 179.965 177.584 0.015 0.000 1.175 105 A CA 1.797 53.843 52.037 0.015 0.000 0.627 105 A CB -1.258 17.726 19.000 -0.026 0.000 0.815 105 A HN 0.724 nan 8.150 nan 0.000 0.443 106 G N -0.112 108.704 108.800 0.026 0.000 2.408 106 G HA2 -0.147 3.817 3.960 0.007 0.000 0.217 106 G HA3 -0.147 3.817 3.960 0.007 0.000 0.217 106 G C 1.500 176.446 174.900 0.078 0.000 1.150 106 G CA 1.029 46.158 45.100 0.049 0.000 0.776 106 G HN 0.461 nan 8.290 nan 0.000 0.542 107 I N 0.778 121.399 120.570 0.086 0.000 2.202 107 I HA -0.130 4.044 4.170 0.007 0.000 0.242 107 I C 2.436 178.609 176.117 0.093 0.000 1.091 107 I CA 1.715 63.071 61.300 0.093 0.000 1.368 107 I CB -0.344 37.715 38.000 0.097 0.000 1.058 107 I HN 0.216 nan 8.210 nan 0.000 0.410 108 D N 0.977 121.444 120.400 0.112 0.000 2.123 108 D HA -0.238 4.406 4.640 0.007 0.000 0.196 108 D C 2.378 178.813 176.300 0.225 0.000 0.992 108 D CA 1.599 55.700 54.000 0.169 0.000 0.833 108 D CB 0.068 40.996 40.800 0.214 0.000 0.954 108 D HN 0.170 nan 8.370 nan 0.000 0.455 109 M N 0.031 119.712 119.600 0.137 0.000 2.117 109 M HA -0.121 4.363 4.480 0.007 0.000 0.262 109 M C 2.411 178.772 176.300 0.102 0.000 1.065 109 M CA 1.497 56.853 55.300 0.092 0.000 1.114 109 M CB -0.285 32.297 32.600 -0.029 0.000 1.361 109 M HN 0.169 nan 8.290 nan 0.000 0.408 110 A N 0.490 123.365 122.820 0.091 0.000 1.877 110 A HA -0.067 4.257 4.320 0.007 0.000 0.216 110 A C 2.393 180.005 177.584 0.047 0.000 1.186 110 A CA 1.948 54.031 52.037 0.077 0.000 0.620 110 A CB -1.060 18.003 19.000 0.105 0.000 0.822 110 A HN 0.490 nan 8.150 nan 0.000 0.443 111 A N -1.367 121.479 122.820 0.043 0.000 1.892 111 A HA -0.248 4.076 4.320 0.007 0.000 0.218 111 A C 2.040 179.596 177.584 -0.047 0.000 1.188 111 A CA 1.620 53.636 52.037 -0.034 0.000 0.631 111 A CB -1.055 17.896 19.000 -0.080 0.000 0.822 111 A HN 0.770 nan 8.150 nan 0.000 0.447 112 W N -0.385 120.894 121.300 -0.035 0.000 2.388 112 W HA -0.086 4.578 4.660 0.006 0.000 0.294 112 W C 2.075 178.547 176.519 -0.078 0.000 1.212 112 W CA 1.142 58.459 57.345 -0.047 0.000 1.271 112 W CB -0.174 29.256 29.460 -0.050 0.000 1.126 112 W HN 0.579 nan 8.180 nan 0.000 0.535 113 D N -0.113 120.361 120.400 0.124 0.000 2.097 113 D HA -0.206 4.438 4.640 0.007 0.000 0.195 113 D C 2.163 178.437 176.300 -0.043 0.000 0.989 113 D CA 2.143 56.141 54.000 -0.004 0.000 0.827 113 D CB -0.358 40.410 40.800 -0.055 0.000 0.966 113 D HN -0.004 nan 8.370 nan 0.000 0.456 114 A N -0.230 122.555 122.820 -0.058 0.000 1.969 114 A HA -0.035 4.289 4.320 0.007 0.000 0.218 114 A C 2.094 179.623 177.584 -0.092 0.000 1.169 114 A CA 1.010 52.991 52.037 -0.094 0.000 0.635 114 A CB -0.726 18.216 19.000 -0.095 0.000 0.810 114 A HN 0.393 nan 8.150 nan 0.000 0.445 115 L N -0.088 121.096 121.223 -0.065 0.000 2.217 115 L HA 0.075 4.419 4.340 0.007 0.000 0.211 115 L C 2.222 179.104 176.870 0.020 0.000 1.107 115 L CA 1.810 56.609 54.840 -0.069 0.000 0.783 115 L CB -0.767 41.226 42.059 -0.110 0.000 0.919 115 L HN 0.278 nan 8.230 nan 0.000 0.442 116 G N -0.750 108.084 108.800 0.057 0.000 2.403 116 G HA2 -0.188 3.776 3.960 0.007 0.000 0.216 116 G HA3 -0.188 3.776 3.960 0.007 0.000 0.216 116 G C 1.578 176.489 174.900 0.017 0.000 1.154 116 G CA 0.522 45.666 45.100 0.075 0.000 0.784 116 G HN 0.429 nan 8.290 nan 0.000 0.538 117 K N 0.301 120.675 120.400 -0.043 0.000 2.103 117 K HA 0.062 4.386 4.320 0.007 0.000 0.204 117 K C 2.420 178.965 176.600 -0.091 0.000 1.052 117 K CA 0.720 56.970 56.287 -0.061 0.000 0.945 117 K CB -0.358 32.090 32.500 -0.087 0.000 0.722 117 K HN 0.153 nan 8.250 nan 0.000 0.443 118 V N 1.709 121.521 119.914 -0.170 0.000 2.324 118 V HA -0.237 3.887 4.120 0.007 0.000 0.250 118 V C 1.767 177.658 176.094 -0.337 0.000 1.060 118 V CA 1.734 63.856 62.300 -0.296 0.000 1.042 118 V CB -0.590 30.957 31.823 -0.460 0.000 0.650 118 V HN 0.378 nan 8.190 nan 0.000 0.450 119 H N -0.706 118.360 119.070 -0.006 0.000 2.526 119 H HA 0.208 4.768 4.556 0.007 0.000 0.274 119 H C 1.056 176.386 175.328 0.004 0.000 0.999 119 H CA 0.061 56.110 56.048 0.002 0.000 1.157 119 H CB -0.212 29.558 29.762 0.014 0.000 1.407 119 H HN 0.571 nan 8.280 nan 0.000 0.568 120 E N 0.542 120.779 120.200 0.061 0.000 2.494 120 E HA -0.183 4.171 4.350 0.007 0.000 0.249 120 E C -0.253 176.381 176.600 0.057 0.000 1.184 120 E CA 0.723 57.148 56.400 0.042 0.000 0.727 120 E CB -0.913 28.808 29.700 0.034 0.000 1.281 120 E HN 0.176 nan 8.360 nan 0.000 0.405 121 T N -0.022 114.578 114.554 0.077 0.000 2.876 121 T HA 0.432 4.786 4.350 0.007 0.000 0.289 121 T C -2.695 172.041 174.700 0.060 0.000 1.014 121 T CA -2.154 59.989 62.100 0.071 0.000 0.986 121 T CB 1.481 70.402 68.868 0.089 0.000 1.021 121 T HN -0.187 nan 8.240 nan 0.000 0.458 122 P HA 0.110 nan 4.420 nan 0.000 0.271 122 P C 0.936 178.271 177.300 0.060 0.000 1.216 122 P CA -0.466 62.683 63.100 0.081 0.000 0.776 122 P CB 0.531 32.306 31.700 0.125 0.000 0.881 123 L N 6.066 127.254 121.223 -0.058 0.000 1.991 123 L HA -0.222 4.122 4.340 0.007 0.000 0.221 123 L C 2.259 179.122 176.870 -0.012 0.000 1.079 123 L CA 2.107 56.873 54.840 -0.123 0.000 0.778 123 L CB -1.477 40.319 42.059 -0.437 0.000 0.893 123 L HN 0.223 nan 8.230 nan 0.000 0.437 124 V N -0.330 119.682 119.914 0.163 0.000 2.453 124 V HA -0.320 3.804 4.120 0.007 0.000 0.252 124 V C 2.672 178.791 176.094 0.043 0.000 1.068 124 V CA 2.174 64.535 62.300 0.102 0.000 1.070 124 V CB -0.574 31.319 31.823 0.118 0.000 0.664 124 V HN 0.564 nan 8.190 nan 0.000 0.461 125 K N -0.411 120.024 120.400 0.059 0.000 2.103 125 K HA -0.030 4.294 4.320 0.007 0.000 0.204 125 K C 2.006 178.627 176.600 0.035 0.000 1.052 125 K CA 1.514 57.824 56.287 0.038 0.000 0.945 125 K CB -0.663 31.861 32.500 0.041 0.000 0.722 125 K HN 0.529 nan 8.250 nan 0.000 0.443 126 L N 0.864 122.118 121.223 0.051 0.000 2.201 126 L HA -0.072 4.272 4.340 0.007 0.000 0.212 126 L C 1.703 178.616 176.870 0.071 0.000 1.105 126 L CA 1.207 56.096 54.840 0.082 0.000 0.775 126 L CB -0.311 41.840 42.059 0.154 0.000 0.913 126 L HN -0.027 nan 8.230 nan 0.000 0.440 127 L N 0.299 121.527 121.223 0.008 0.000 2.465 127 L HA 0.245 4.589 4.340 0.007 0.000 0.224 127 L C 1.708 178.578 176.870 0.000 0.000 1.145 127 L CA 1.125 55.942 54.840 -0.039 0.000 0.834 127 L CB -0.907 41.084 42.059 -0.115 0.000 0.944 127 L HN 0.508 nan 8.230 nan 0.000 0.451 128 G N -2.028 106.780 108.800 0.013 0.000 2.144 128 G HA2 -0.055 3.909 3.960 0.007 0.000 0.218 128 G HA3 -0.055 3.909 3.960 0.007 0.000 0.218 128 G C 0.309 175.215 174.900 0.010 0.000 0.988 128 G CA 0.121 45.229 45.100 0.014 0.000 0.659 128 G HN 0.671 nan 8.290 nan 0.000 0.522 129 A N -0.574 122.251 122.820 0.008 0.000 2.387 129 A HA 0.844 5.167 4.320 0.007 0.000 0.298 129 A C -0.163 177.422 177.584 0.002 0.000 1.165 129 A CA -0.735 51.305 52.037 0.005 0.000 0.814 129 A CB 0.951 19.955 19.000 0.006 0.000 1.357 129 A HN 0.216 nan 8.150 nan 0.000 0.443 130 N N 0.503 119.201 118.700 -0.004 0.000 2.456 130 N HA 0.481 5.225 4.740 0.007 0.000 0.288 130 N C -0.177 175.317 175.510 -0.026 0.000 1.059 130 N CA -0.008 53.035 53.050 -0.012 0.000 0.946 130 N CB 1.783 40.262 38.487 -0.013 0.000 1.150 130 N HN 0.810 nan 8.380 nan 0.000 0.479 131 A N 2.584 125.382 122.820 -0.037 0.000 2.524 131 A HA 0.202 4.526 4.320 0.007 0.000 0.250 131 A C 0.585 178.129 177.584 -0.067 0.000 1.078 131 A CA 0.084 52.079 52.037 -0.069 0.000 0.761 131 A CB -0.008 18.942 19.000 -0.083 0.000 1.012 131 A HN 0.805 nan 8.150 nan 0.000 0.500 132 R N 2.570 123.023 120.500 -0.078 0.000 2.740 132 R HA 0.716 5.060 4.340 0.007 0.000 0.273 132 R C -3.310 172.940 176.300 -0.084 0.000 0.998 132 R CA -1.738 54.322 56.100 -0.067 0.000 0.900 132 R CB 1.314 31.585 30.300 -0.047 0.000 1.223 132 R HN 0.402 nan 8.270 nan 0.000 0.466 133 P HA 0.214 nan 4.420 nan 0.000 0.274 133 P C -0.896 176.361 177.300 -0.070 0.000 1.246 133 P CA -0.603 62.447 63.100 -0.084 0.000 0.795 133 P CB 0.928 32.584 31.700 -0.073 0.000 1.006 134 V N 1.461 121.340 119.914 -0.058 0.000 2.577 134 V HA 0.239 4.363 4.120 0.007 0.000 0.303 134 V C 0.302 176.391 176.094 -0.009 0.000 1.042 134 V CA -0.908 61.369 62.300 -0.039 0.000 0.872 134 V CB 1.185 33.006 31.823 -0.003 0.000 0.998 134 V HN 0.642 nan 8.190 nan 0.000 0.423 135 Q N 3.678 123.415 119.800 -0.104 0.000 2.286 135 Q HA 0.542 4.886 4.340 0.007 0.000 0.290 135 Q C -0.189 175.896 176.000 0.141 0.000 1.049 135 Q CA 0.187 55.920 55.803 -0.117 0.000 0.923 135 Q CB 0.976 29.373 28.738 -0.567 0.000 1.183 135 Q HN 0.912 nan 8.270 nan 0.000 0.383 136 A N 3.212 126.289 122.820 0.429 0.000 2.430 136 A HA 0.735 5.059 4.320 0.007 0.000 0.300 136 A C -1.627 176.325 177.584 0.614 0.000 1.124 136 A CA -0.907 51.455 52.037 0.540 0.000 0.766 136 A CB 1.208 20.479 19.000 0.451 0.000 1.328 136 A HN 0.810 nan 8.150 nan 0.000 0.424 137 Y N -0.915 119.520 120.300 0.225 0.000 2.499 137 Y HA 0.692 5.246 4.550 0.007 0.000 0.347 137 Y C -0.776 174.910 175.900 -0.357 0.000 0.987 137 Y CA -1.567 56.437 58.100 -0.160 0.000 1.044 137 Y CB 1.059 39.157 38.460 -0.603 0.000 1.245 137 Y HN 0.552 nan 8.280 nan 0.000 0.461 138 D N 1.651 121.771 120.400 -0.466 0.000 2.317 138 D HA 0.207 4.851 4.640 0.007 0.000 0.252 138 D C -0.740 175.207 176.300 -0.588 0.000 1.174 138 D CA 0.323 53.872 54.000 -0.750 0.000 0.866 138 D CB 1.128 41.336 40.800 -0.987 0.000 1.127 138 D HN 0.603 nan 8.370 nan 0.000 0.467 139 S N 2.947 118.379 115.700 -0.447 0.000 2.411 139 S HA 0.262 4.736 4.470 0.007 0.000 0.294 139 S C -0.485 173.975 174.600 -0.234 0.000 1.115 139 S CA -0.436 57.615 58.200 -0.248 0.000 1.071 139 S CB -0.016 63.142 63.200 -0.069 0.000 0.967 139 S HN 0.474 nan 8.310 nan 0.000 0.488 140 H N 1.496 120.532 119.070 -0.058 0.000 2.889 140 H HA 0.662 5.223 4.556 0.007 0.000 0.279 140 H C 0.777 176.077 175.328 -0.047 0.000 1.553 140 H CA -1.001 54.995 56.048 -0.087 0.000 1.593 140 H CB 0.946 30.616 29.762 -0.153 0.000 1.718 140 H HN 0.625 nan 8.280 nan 0.000 0.901 141 S N -0.223 115.523 115.700 0.076 0.000 2.894 141 S HA 0.304 4.778 4.470 0.007 0.000 0.298 141 S C -0.502 174.054 174.600 -0.073 0.000 1.054 141 S CA -0.948 57.266 58.200 0.023 0.000 0.903 141 S CB 0.490 63.765 63.200 0.125 0.000 1.356 141 S HN 0.373 nan 8.310 nan 0.000 0.626 142 L N 2.080 123.253 121.223 -0.084 0.000 2.399 142 L HA 0.379 4.723 4.340 0.007 0.000 0.257 142 L C -0.538 176.217 176.870 -0.192 0.000 1.236 142 L CA 0.023 54.798 54.840 -0.108 0.000 1.144 142 L CB -0.516 41.486 42.059 -0.096 0.000 1.379 142 L HN 0.530 nan 8.230 nan 0.000 0.414 143 D N 2.395 122.669 120.400 -0.210 0.000 2.369 143 D HA 0.270 4.914 4.640 0.007 0.000 0.211 143 D C 1.057 177.307 176.300 -0.085 0.000 1.077 143 D CA 0.709 54.526 54.000 -0.305 0.000 0.842 143 D CB 0.406 40.981 40.800 -0.376 0.000 0.947 143 D HN 0.536 nan 8.370 nan 0.000 0.509 144 G N 0.585 109.432 108.800 0.078 0.000 2.814 144 G HA2 -0.269 3.695 3.960 0.007 0.000 0.677 144 G HA3 -0.269 3.695 3.960 0.007 0.000 0.677 144 G C 0.951 175.810 174.900 -0.068 0.000 1.429 144 G CA -0.444 44.664 45.100 0.013 0.000 0.868 144 G HN 0.031 nan 8.290 nan 0.000 0.553 145 V N 1.405 121.242 119.914 -0.127 0.000 2.231 145 V HA -0.272 3.851 4.120 0.007 0.000 0.248 145 V C 3.001 179.036 176.094 -0.100 0.000 1.054 145 V CA 3.337 65.565 62.300 -0.120 0.000 1.015 145 V CB -0.825 30.921 31.823 -0.129 0.000 0.638 145 V HN 1.056 nan 8.190 nan 0.000 0.444 146 K N 0.088 120.434 120.400 -0.089 0.000 1.973 146 K HA -0.218 4.106 4.320 0.007 0.000 0.212 146 K C 2.198 178.735 176.600 -0.105 0.000 1.047 146 K CA 2.111 58.348 56.287 -0.084 0.000 0.937 146 K CB -0.501 31.962 32.500 -0.062 0.000 0.721 146 K HN 0.278 nan 8.250 nan 0.000 0.440 147 L N 1.167 122.322 121.223 -0.114 0.000 2.131 147 L HA -0.021 4.323 4.340 0.007 0.000 0.210 147 L C 2.331 179.055 176.870 -0.242 0.000 1.092 147 L CA 1.965 56.700 54.840 -0.175 0.000 0.759 147 L CB -0.706 41.252 42.059 -0.167 0.000 0.903 147 L HN 0.398 nan 8.230 nan 0.000 0.435 148 A N -1.683 121.026 122.820 -0.184 0.000 1.902 148 A HA -0.186 4.138 4.320 0.007 0.000 0.217 148 A C 2.244 179.729 177.584 -0.165 0.000 1.181 148 A CA 2.208 54.144 52.037 -0.169 0.000 0.623 148 A CB -1.085 17.861 19.000 -0.090 0.000 0.818 148 A HN 0.488 nan 8.150 nan 0.000 0.443 149 T N 0.257 114.725 114.554 -0.143 0.000 2.821 149 T HA -0.109 4.245 4.350 0.007 0.000 0.267 149 T C 1.703 176.311 174.700 -0.155 0.000 1.046 149 T CA 1.538 63.556 62.100 -0.137 0.000 1.139 149 T CB -0.259 68.541 68.868 -0.113 0.000 0.871 149 T HN 0.682 nan 8.240 nan 0.000 0.454 150 E N 1.295 121.395 120.200 -0.167 0.000 2.047 150 E HA -0.084 4.270 4.350 0.007 0.000 0.191 150 E C 2.491 178.959 176.600 -0.221 0.000 0.987 150 E CA 0.719 57.019 56.400 -0.166 0.000 0.799 150 E CB -0.153 29.461 29.700 -0.144 0.000 0.752 150 E HN 0.406 nan 8.360 nan 0.000 0.449 151 R N 0.578 120.869 120.500 -0.349 0.000 2.193 151 R HA -0.026 4.318 4.340 0.007 0.000 0.229 151 R C 2.161 178.268 176.300 -0.321 0.000 1.110 151 R CA 0.969 56.754 56.100 -0.525 0.000 0.988 151 R CB -0.195 29.495 30.300 -1.018 0.000 0.871 151 R HN 0.119 nan 8.270 nan 0.000 0.458 152 A N 1.275 123.991 122.820 -0.173 0.000 1.935 152 A HA -0.056 4.268 4.320 0.007 0.000 0.214 152 A C 2.404 179.912 177.584 -0.127 0.000 1.178 152 A CA 0.998 52.991 52.037 -0.073 0.000 0.640 152 A CB -0.441 18.474 19.000 -0.143 0.000 0.825 152 A HN 0.189 nan 8.150 nan 0.000 0.447 153 V N -0.919 118.909 119.914 -0.144 0.000 2.343 153 V HA -0.229 3.895 4.120 0.007 0.000 0.247 153 V C 2.347 178.413 176.094 -0.047 0.000 1.051 153 V CA 2.814 65.044 62.300 -0.116 0.000 1.036 153 V CB -2.228 29.534 31.823 -0.103 0.000 0.654 153 V HN 0.569 nan 8.190 nan 0.000 0.451 154 T N 0.454 114.983 114.554 -0.041 0.000 2.684 154 T HA -0.141 4.213 4.350 0.007 0.000 0.267 154 T C 2.175 176.934 174.700 0.098 0.000 1.036 154 T CA 2.013 64.119 62.100 0.011 0.000 1.148 154 T CB -1.084 67.777 68.868 -0.011 0.000 0.863 154 T HN 0.957 nan 8.240 nan 0.000 0.436 155 A N 2.617 125.515 122.820 0.131 0.000 1.863 155 A HA -0.018 4.305 4.320 0.007 0.000 0.218 155 A C 2.868 180.718 177.584 0.443 0.000 1.233 155 A CA 2.915 55.139 52.037 0.312 0.000 0.655 155 A CB -1.634 17.534 19.000 0.280 0.000 0.839 155 A HN 0.766 nan 8.150 nan 0.000 0.454 156 A N -1.000 122.017 122.820 0.327 0.000 1.948 156 A HA -0.230 4.094 4.320 0.007 0.000 0.220 156 A C 1.938 179.630 177.584 0.180 0.000 1.177 156 A CA 2.005 54.234 52.037 0.320 0.000 0.636 156 A CB -0.643 18.436 19.000 0.132 0.000 0.815 156 A HN 0.697 nan 8.150 nan 0.000 0.449 157 E N -0.820 119.451 120.200 0.118 0.000 2.153 157 E HA -0.122 4.232 4.350 0.007 0.000 0.194 157 E C 1.315 177.962 176.600 0.078 0.000 0.988 157 E CA 0.924 57.369 56.400 0.074 0.000 0.811 157 E CB -0.160 29.569 29.700 0.049 0.000 0.746 157 E HN 0.608 nan 8.360 nan 0.000 0.466 158 L N -0.928 120.372 121.223 0.129 0.000 2.612 158 L HA 0.144 4.488 4.340 0.007 0.000 0.230 158 L C 1.283 178.091 176.870 -0.104 0.000 1.140 158 L CA 0.488 55.371 54.840 0.072 0.000 0.896 158 L CB 0.528 42.710 42.059 0.204 0.000 1.065 158 L HN 0.305 nan 8.230 nan 0.000 0.447 159 G N -1.339 107.440 108.800 -0.035 0.000 2.176 159 G HA2 -0.285 3.679 3.960 0.007 0.000 0.232 159 G HA3 -0.285 3.679 3.960 0.007 0.000 0.232 159 G C 0.262 175.077 174.900 -0.141 0.000 0.986 159 G CA -0.529 44.504 45.100 -0.113 0.000 0.643 159 G HN 0.130 nan 8.290 nan 0.000 0.522 160 F N 0.642 120.659 119.950 0.113 0.000 2.506 160 F HA 0.520 5.051 4.527 0.006 0.000 0.351 160 F C 1.788 177.631 175.800 0.071 0.000 1.136 160 F CA -0.053 58.006 58.000 0.098 0.000 1.298 160 F CB 0.593 39.646 39.000 0.090 0.000 1.145 160 F HN -0.139 nan 8.300 nan 0.000 0.593 161 R N 1.531 122.047 120.500 0.025 0.000 2.509 161 R HA 0.561 4.905 4.340 0.007 0.000 0.300 161 R C -0.789 174.775 176.300 -1.227 0.000 0.985 161 R CA -0.073 55.755 56.100 -0.454 0.000 1.092 161 R CB 0.363 30.603 30.300 -0.100 0.000 1.237 161 R HN 0.600 nan 8.270 nan 0.000 0.546 162 A N 0.202 122.407 122.820 -1.025 0.000 2.580 162 A HA 0.434 4.758 4.320 0.007 0.000 0.301 162 A C -0.788 176.649 177.584 -0.244 0.000 1.054 162 A CA -0.703 50.811 52.037 -0.871 0.000 0.751 162 A CB 0.814 19.305 19.000 -0.849 0.000 1.275 162 A HN -0.033 nan 8.150 nan 0.000 0.403 163 V N -0.838 119.058 119.914 -0.029 0.000 3.046 163 V HA 0.899 5.023 4.120 0.007 0.000 0.316 163 V C -0.265 175.628 176.094 -0.335 0.000 1.104 163 V CA -0.953 61.251 62.300 -0.159 0.000 1.006 163 V CB 1.840 33.626 31.823 -0.061 0.000 1.058 163 V HN 1.119 nan 8.190 nan 0.000 0.440 164 K N 0.954 121.143 120.400 -0.352 0.000 2.323 164 K HA 0.662 4.986 4.320 0.007 0.000 0.259 164 K C -0.781 175.695 176.600 -0.206 0.000 0.947 164 K CA -0.192 55.888 56.287 -0.346 0.000 0.819 164 K CB 1.907 34.228 32.500 -0.299 0.000 1.109 164 K HN 1.074 nan 8.250 nan 0.000 0.429 165 T N 2.483 116.943 114.554 -0.157 0.000 2.924 165 T HA 0.364 4.718 4.350 0.007 0.000 0.291 165 T C -1.212 173.429 174.700 -0.097 0.000 1.045 165 T CA -0.752 61.299 62.100 -0.081 0.000 1.015 165 T CB 1.089 69.930 68.868 -0.045 0.000 1.103 165 T HN 0.577 nan 8.240 nan 0.000 0.496 166 K N 3.838 124.191 120.400 -0.078 0.000 2.211 166 K HA 0.558 4.881 4.320 0.007 0.000 0.275 166 K C 0.332 176.814 176.600 -0.197 0.000 1.024 166 K CA -0.643 55.570 56.287 -0.123 0.000 0.887 166 K CB 0.418 32.869 32.500 -0.081 0.000 1.084 166 K HN 0.587 nan 8.250 nan 0.000 0.463 167 I N -1.191 119.199 120.570 -0.301 0.000 3.786 167 I HA 0.763 4.937 4.170 0.007 0.000 0.267 167 I C 0.292 176.222 176.117 -0.311 0.000 1.209 167 I CA -0.835 60.259 61.300 -0.345 0.000 1.157 167 I CB 1.553 39.357 38.000 -0.326 0.000 1.399 167 I HN 0.693 nan 8.210 nan 0.000 0.502 168 G N 0.695 109.476 108.800 -0.031 0.000 2.309 168 G HA2 -0.150 3.814 3.960 0.007 0.000 0.183 168 G HA3 -0.150 3.814 3.960 0.007 0.000 0.183 168 G C -0.711 174.181 174.900 -0.014 0.000 1.063 168 G CA -0.506 44.729 45.100 0.226 0.000 0.768 168 G HN 0.637 nan 8.290 nan 0.000 0.490 169 Y N -0.553 119.820 120.300 0.121 0.000 2.299 169 Y HA 0.377 4.931 4.550 0.007 0.000 0.335 169 Y C -0.342 175.594 175.900 0.061 0.000 1.287 169 Y CA -1.259 56.882 58.100 0.069 0.000 1.424 169 Y CB 0.392 38.878 38.460 0.043 0.000 1.326 169 Y HN 0.023 nan 8.280 nan 0.000 0.567 170 P HA -0.120 nan 4.420 nan 0.000 0.220 170 P C -0.683 176.677 177.300 0.099 0.000 1.144 170 P CA 1.632 64.802 63.100 0.116 0.000 0.800 170 P CB 0.217 31.972 31.700 0.092 0.000 0.772 171 A N -1.380 121.517 122.820 0.128 0.000 2.393 171 A HA 0.378 4.702 4.320 0.007 0.000 0.306 171 A C 0.636 178.287 177.584 0.112 0.000 1.050 171 A CA -0.560 51.531 52.037 0.089 0.000 0.724 171 A CB 0.727 19.759 19.000 0.053 0.000 1.248 171 A HN -0.007 nan 8.150 nan 0.000 0.424 172 L N 1.198 122.474 121.223 0.089 0.000 2.137 172 L HA -0.181 4.163 4.340 0.007 0.000 0.213 172 L C 1.407 178.325 176.870 0.079 0.000 1.085 172 L CA 2.656 57.556 54.840 0.099 0.000 0.760 172 L CB -0.384 41.712 42.059 0.062 0.000 0.893 172 L HN 0.805 nan 8.230 nan 0.000 0.434 173 D N -0.870 119.557 120.400 0.045 0.000 2.178 173 D HA -0.183 4.461 4.640 0.007 0.000 0.201 173 D C 2.182 178.474 176.300 -0.013 0.000 0.980 173 D CA 1.256 55.264 54.000 0.013 0.000 0.842 173 D CB 0.041 40.840 40.800 -0.001 0.000 0.948 173 D HN 0.606 nan 8.370 nan 0.000 0.472 174 Q N 0.071 119.861 119.800 -0.016 0.000 2.083 174 Q HA -0.095 4.248 4.340 0.007 0.000 0.198 174 Q C 1.605 177.546 176.000 -0.097 0.000 0.969 174 Q CA 0.858 56.574 55.803 -0.145 0.000 0.838 174 Q CB 0.075 28.677 28.738 -0.226 0.000 0.900 174 Q HN 0.195 nan 8.270 nan 0.000 0.436 175 D N 1.169 121.653 120.400 0.140 0.000 2.116 175 D HA -0.165 4.479 4.640 0.007 0.000 0.193 175 D C 1.947 178.291 176.300 0.074 0.000 0.998 175 D CA 1.121 55.249 54.000 0.214 0.000 0.836 175 D CB -0.210 40.736 40.800 0.243 0.000 0.951 175 D HN 0.182 nan 8.370 nan 0.000 0.449 176 L N 0.522 121.770 121.223 0.043 0.000 2.046 176 L HA -0.158 4.186 4.340 0.007 0.000 0.208 176 L C 2.573 179.428 176.870 -0.025 0.000 1.077 176 L CA 1.135 55.981 54.840 0.010 0.000 0.747 176 L CB -0.509 41.557 42.059 0.012 0.000 0.896 176 L HN -0.024 nan 8.230 nan 0.000 0.432 177 A N 0.036 122.824 122.820 -0.054 0.000 1.859 177 A HA -0.207 4.117 4.320 0.007 0.000 0.217 177 A C 2.368 179.899 177.584 -0.089 0.000 1.198 177 A CA 2.224 54.211 52.037 -0.083 0.000 0.629 177 A CB -1.084 17.841 19.000 -0.125 0.000 0.830 177 A HN 0.168 nan 8.150 nan 0.000 0.446 178 V N -0.489 119.361 119.914 -0.107 0.000 2.282 178 V HA -0.272 3.852 4.120 0.007 0.000 0.249 178 V C 2.579 178.643 176.094 -0.051 0.000 1.057 178 V CA 2.175 64.428 62.300 -0.078 0.000 1.032 178 V CB -0.771 31.043 31.823 -0.015 0.000 0.645 178 V HN 0.384 nan 8.190 nan 0.000 0.447 179 V N -0.271 119.622 119.914 -0.035 0.000 2.427 179 V HA -0.234 3.890 4.120 0.007 0.000 0.248 179 V C 2.545 178.613 176.094 -0.044 0.000 1.051 179 V CA 2.066 64.343 62.300 -0.039 0.000 1.048 179 V CB -0.715 31.089 31.823 -0.032 0.000 0.666 179 V HN 0.519 nan 8.190 nan 0.000 0.456 180 R N -0.405 120.070 120.500 -0.042 0.000 2.092 180 R HA -0.105 4.239 4.340 0.007 0.000 0.231 180 R C 2.612 178.880 176.300 -0.054 0.000 1.119 180 R CA 1.455 57.530 56.100 -0.042 0.000 0.970 180 R CB -0.597 29.681 30.300 -0.036 0.000 0.864 180 R HN 0.438 nan 8.270 nan 0.000 0.440 181 S N 0.904 116.566 115.700 -0.064 0.000 2.382 181 S HA -0.078 4.396 4.470 0.007 0.000 0.228 181 S C 1.925 176.473 174.600 -0.086 0.000 1.027 181 S CA 0.986 59.143 58.200 -0.073 0.000 0.991 181 S CB -0.099 63.054 63.200 -0.079 0.000 0.823 181 S HN 0.204 nan 8.310 nan 0.000 0.469 182 I N 0.894 121.411 120.570 -0.090 0.000 2.252 182 I HA -0.121 4.053 4.170 0.007 0.000 0.245 182 I C 2.717 178.756 176.117 -0.129 0.000 1.102 182 I CA 1.369 62.599 61.300 -0.117 0.000 1.385 182 I CB -0.341 37.599 38.000 -0.101 0.000 1.064 182 I HN 0.259 nan 8.210 nan 0.000 0.414 183 R N 1.461 121.909 120.500 -0.086 0.000 2.081 183 R HA -0.227 4.117 4.340 0.007 0.000 0.235 183 R C 2.382 178.639 176.300 -0.071 0.000 1.131 183 R CA 1.761 57.821 56.100 -0.067 0.000 0.960 183 R CB -0.600 29.679 30.300 -0.034 0.000 0.856 183 R HN 0.458 nan 8.270 nan 0.000 0.436 184 Q N 0.313 120.072 119.800 -0.068 0.000 2.050 184 Q HA -0.147 4.197 4.340 0.007 0.000 0.202 184 Q C 1.843 177.795 176.000 -0.079 0.000 0.980 184 Q CA 2.158 57.924 55.803 -0.061 0.000 0.840 184 Q CB -0.502 28.204 28.738 -0.054 0.000 0.898 184 Q HN 0.383 nan 8.270 nan 0.000 0.424 185 A N 1.054 123.813 122.820 -0.103 0.000 1.978 185 A HA -0.117 4.207 4.320 0.007 0.000 0.220 185 A C 2.119 179.606 177.584 -0.162 0.000 1.170 185 A CA 2.391 54.353 52.037 -0.125 0.000 0.636 185 A CB -0.535 18.380 19.000 -0.143 0.000 0.810 185 A HN 0.549 nan 8.150 nan 0.000 0.448 186 V N -5.032 114.758 119.914 -0.208 0.000 3.635 186 V HA 0.581 4.705 4.120 0.007 0.000 0.266 186 V C 0.974 176.992 176.094 -0.126 0.000 1.316 186 V CA 0.677 62.807 62.300 -0.282 0.000 1.060 186 V CB -0.760 30.630 31.823 -0.722 0.000 0.820 186 V HN 1.856 nan 8.190 nan 0.000 0.447 187 G N 0.941 109.702 108.800 -0.065 0.000 2.707 187 G HA2 -0.162 3.802 3.960 0.007 0.000 0.686 187 G HA3 -0.162 3.802 3.960 0.007 0.000 0.686 187 G C -0.260 174.668 174.900 0.046 0.000 1.315 187 G CA 0.025 45.125 45.100 -0.001 0.000 0.832 187 G HN 0.286 nan 8.290 nan 0.000 0.573 188 D N -0.327 120.100 120.400 0.046 0.000 2.310 188 D HA -0.034 4.610 4.640 0.007 0.000 0.212 188 D C 0.856 177.206 176.300 0.082 0.000 0.965 188 D CA 1.271 55.304 54.000 0.055 0.000 0.879 188 D CB 0.257 41.077 40.800 0.034 0.000 0.921 188 D HN 0.400 nan 8.370 nan 0.000 0.510 189 D N -0.473 119.991 120.400 0.106 0.000 2.943 189 D HA 0.210 4.854 4.640 0.007 0.000 0.249 189 D C -1.299 175.117 176.300 0.193 0.000 1.231 189 D CA -0.185 53.883 54.000 0.113 0.000 0.979 189 D CB -0.465 40.388 40.800 0.089 0.000 1.053 189 D HN -0.108 nan 8.370 nan 0.000 0.504 190 F N -0.538 119.412 119.950 -0.001 0.000 2.650 190 F HA 0.517 5.048 4.527 0.007 0.000 0.310 190 F C 0.032 175.798 175.800 -0.057 0.000 1.112 190 F CA -0.873 57.120 58.000 -0.012 0.000 0.986 190 F CB 1.606 40.594 39.000 -0.020 0.000 1.285 190 F HN -0.007 nan 8.300 nan 0.000 0.440 191 G N 4.540 113.114 108.800 -0.377 0.000 2.395 191 G HA2 0.586 4.550 3.960 0.007 0.000 0.283 191 G HA3 0.586 4.550 3.960 0.007 0.000 0.283 191 G C -1.148 173.650 174.900 -0.170 0.000 1.178 191 G CA -0.565 44.354 45.100 -0.302 0.000 0.837 191 G HN 0.604 nan 8.290 nan 0.000 0.518 192 I N 2.003 122.438 120.570 -0.224 0.000 2.493 192 I HA 0.237 4.411 4.170 0.007 0.000 0.279 192 I C -0.755 175.118 176.117 -0.406 0.000 1.045 192 I CA -0.579 60.587 61.300 -0.224 0.000 1.106 192 I CB 1.807 39.751 38.000 -0.093 0.000 1.216 192 I HN 0.202 nan 8.210 nan 0.000 0.459 193 M N 6.576 125.804 119.600 -0.621 0.000 2.209 193 M HA 0.457 4.941 4.480 0.007 0.000 0.355 193 M C -0.122 175.943 176.300 -0.393 0.000 1.171 193 M CA -0.592 54.235 55.300 -0.788 0.000 1.069 193 M CB 1.827 33.535 32.600 -1.486 0.000 1.622 193 M HN 0.453 nan 8.290 nan 0.000 0.459 194 V N -0.938 118.858 119.914 -0.198 0.000 2.715 194 V HA 0.796 4.920 4.120 0.007 0.000 0.310 194 V C -1.219 174.826 176.094 -0.081 0.000 1.054 194 V CA -0.595 61.608 62.300 -0.162 0.000 0.928 194 V CB 2.048 33.740 31.823 -0.218 0.000 1.007 194 V HN 0.774 nan 8.190 nan 0.000 0.437 195 D N 1.640 121.948 120.400 -0.154 0.000 2.620 195 D HA 0.389 5.033 4.640 0.007 0.000 0.252 195 D C -0.496 175.712 176.300 -0.154 0.000 1.207 195 D CA -0.339 53.615 54.000 -0.076 0.000 0.884 195 D CB 1.742 42.545 40.800 0.005 0.000 1.262 195 D HN 0.593 nan 8.370 nan 0.000 0.552 196 Y N 2.554 122.851 120.300 -0.005 0.000 2.511 196 Y HA 0.203 4.757 4.550 0.007 0.000 0.279 196 Y C 1.082 176.963 175.900 -0.032 0.000 1.157 196 Y CA 0.177 58.260 58.100 -0.029 0.000 1.300 196 Y CB -0.346 38.094 38.460 -0.033 0.000 1.052 196 Y HN 0.575 nan 8.280 nan 0.000 0.529 197 N N 1.526 120.293 118.700 0.111 0.000 2.738 197 N HA -0.312 4.432 4.740 0.007 0.000 0.249 197 N C -0.652 174.894 175.510 0.059 0.000 1.047 197 N CA 0.476 53.567 53.050 0.068 0.000 0.707 197 N CB -0.816 37.705 38.487 0.056 0.000 0.937 197 N HN 0.452 nan 8.380 nan 0.000 0.545 198 Q N -2.833 117.002 119.800 0.058 0.000 2.435 198 Q HA -0.268 4.076 4.340 0.007 0.000 0.286 198 Q C 0.659 176.657 176.000 -0.003 0.000 1.229 198 Q CA 1.043 56.858 55.803 0.020 0.000 0.884 198 Q CB -2.070 26.675 28.738 0.012 0.000 1.245 198 Q HN 0.679 nan 8.270 nan 0.000 0.488 199 S N -1.583 114.122 115.700 0.008 0.000 2.557 199 S HA 0.424 4.898 4.470 0.007 0.000 0.223 199 S C 0.410 174.968 174.600 -0.071 0.000 0.969 199 S CA -0.442 57.750 58.200 -0.013 0.000 0.927 199 S CB 0.459 63.675 63.200 0.026 0.000 0.806 199 S HN 0.359 nan 8.310 nan 0.000 0.489 200 L N 1.718 122.862 121.223 -0.131 0.000 2.323 200 L HA 0.594 4.938 4.340 0.007 0.000 0.265 200 L C -0.589 176.189 176.870 -0.152 0.000 1.012 200 L CA -1.250 53.483 54.840 -0.178 0.000 0.820 200 L CB 1.609 43.473 42.059 -0.324 0.000 1.334 200 L HN 0.164 nan 8.230 nan 0.000 0.427 201 D N -0.293 120.028 120.400 -0.132 0.000 2.411 201 D HA 0.201 4.845 4.640 0.007 0.000 0.251 201 D C 0.779 176.999 176.300 -0.134 0.000 1.201 201 D CA -0.660 53.272 54.000 -0.113 0.000 0.996 201 D CB 0.887 41.639 40.800 -0.080 0.000 1.101 201 D HN 0.107 nan 8.370 nan 0.000 0.504 202 V N 0.523 120.370 119.914 -0.112 0.000 2.261 202 V HA -0.101 4.023 4.120 0.007 0.000 0.246 202 V C -0.874 175.161 176.094 -0.097 0.000 1.047 202 V CA 1.912 64.144 62.300 -0.113 0.000 1.015 202 V CB -1.478 30.294 31.823 -0.085 0.000 0.642 202 V HN 0.662 nan 8.190 nan 0.000 0.446 203 P HA -0.156 nan 4.420 nan 0.000 0.215 203 P C 1.620 178.874 177.300 -0.077 0.000 1.157 203 P CA 2.275 65.337 63.100 -0.063 0.000 0.868 203 P CB -0.215 31.456 31.700 -0.048 0.000 0.788 204 A N 0.209 122.973 122.820 -0.094 0.000 1.933 204 A HA -0.072 4.252 4.320 0.007 0.000 0.218 204 A C 2.416 179.904 177.584 -0.160 0.000 1.175 204 A CA 2.137 54.106 52.037 -0.113 0.000 0.628 204 A CB -1.551 17.376 19.000 -0.121 0.000 0.814 204 A HN 0.227 nan 8.150 nan 0.000 0.444 205 A N -0.225 122.482 122.820 -0.188 0.000 1.969 205 A HA -0.023 4.301 4.320 0.007 0.000 0.218 205 A C 2.081 179.586 177.584 -0.133 0.000 1.169 205 A CA 1.358 53.258 52.037 -0.228 0.000 0.635 205 A CB -0.516 18.342 19.000 -0.237 0.000 0.810 205 A HN 0.500 nan 8.150 nan 0.000 0.445 206 I N -0.674 119.839 120.570 -0.094 0.000 2.202 206 I HA -0.241 3.932 4.170 0.007 0.000 0.242 206 I C 2.590 178.685 176.117 -0.037 0.000 1.091 206 I CA 1.625 62.893 61.300 -0.053 0.000 1.368 206 I CB -0.211 37.763 38.000 -0.044 0.000 1.058 206 I HN 0.343 nan 8.210 nan 0.000 0.410 207 K N 1.118 121.491 120.400 -0.045 0.000 2.002 207 K HA -0.175 4.149 4.320 0.007 0.000 0.209 207 K C 2.328 178.920 176.600 -0.014 0.000 1.048 207 K CA 1.473 57.744 56.287 -0.027 0.000 0.930 207 K CB -0.024 32.458 32.500 -0.031 0.000 0.714 207 K HN 0.228 nan 8.250 nan 0.000 0.438 208 R N -0.029 120.450 120.500 -0.035 0.000 2.092 208 R HA -0.031 4.313 4.340 0.007 0.000 0.231 208 R C 2.415 178.761 176.300 0.077 0.000 1.119 208 R CA 1.438 57.547 56.100 0.015 0.000 0.970 208 R CB -0.123 30.151 30.300 -0.042 0.000 0.864 208 R HN 0.155 nan 8.270 nan 0.000 0.440 209 S N 1.069 116.797 115.700 0.047 0.000 2.387 209 S HA -0.119 4.355 4.470 0.007 0.000 0.226 209 S C 1.842 176.479 174.600 0.062 0.000 1.026 209 S CA 0.917 59.168 58.200 0.086 0.000 0.972 209 S CB -0.041 63.199 63.200 0.066 0.000 0.814 209 S HN 0.355 nan 8.310 nan 0.000 0.477 210 Q N 1.003 120.824 119.800 0.036 0.000 2.050 210 Q HA -0.056 4.288 4.340 0.007 0.000 0.202 210 Q C 2.586 178.606 176.000 0.034 0.000 0.980 210 Q CA 1.362 57.182 55.803 0.030 0.000 0.840 210 Q CB -0.422 28.326 28.738 0.016 0.000 0.898 210 Q HN 0.596 nan 8.270 nan 0.000 0.424 211 A N 1.181 124.024 122.820 0.038 0.000 1.873 211 A HA -0.210 4.114 4.320 0.007 0.000 0.218 211 A C 2.093 179.703 177.584 0.044 0.000 1.193 211 A CA 1.396 53.456 52.037 0.038 0.000 0.629 211 A CB -0.937 18.089 19.000 0.043 0.000 0.826 211 A HN 0.317 nan 8.150 nan 0.000 0.447 212 L N -1.020 120.241 121.223 0.063 0.000 2.079 212 L HA -0.280 4.064 4.340 0.007 0.000 0.210 212 L C 2.877 179.771 176.870 0.041 0.000 1.081 212 L CA 1.823 56.696 54.840 0.056 0.000 0.752 212 L CB -0.652 41.454 42.059 0.079 0.000 0.896 212 L HN 0.589 nan 8.230 nan 0.000 0.433 213 Q N -0.141 119.687 119.800 0.046 0.000 2.152 213 Q HA -0.311 4.033 4.340 0.007 0.000 0.206 213 Q C 2.258 178.276 176.000 0.030 0.000 0.985 213 Q CA 1.887 57.714 55.803 0.041 0.000 0.863 213 Q CB 0.071 28.833 28.738 0.040 0.000 0.904 213 Q HN 0.424 nan 8.270 nan 0.000 0.422 214 Q N -0.109 119.707 119.800 0.027 0.000 2.079 214 Q HA -0.145 4.199 4.340 0.007 0.000 0.200 214 Q C 1.764 177.774 176.000 0.016 0.000 0.974 214 Q CA 1.326 57.142 55.803 0.020 0.000 0.840 214 Q CB 0.109 28.858 28.738 0.018 0.000 0.898 214 Q HN 0.302 nan 8.270 nan 0.000 0.430 215 E N -0.982 119.227 120.200 0.016 0.000 2.268 215 E HA 0.015 4.369 4.350 0.007 0.000 0.195 215 E C 0.515 177.118 176.600 0.006 0.000 0.995 215 E CA 0.972 57.377 56.400 0.008 0.000 0.836 215 E CB -0.022 29.680 29.700 0.004 0.000 0.763 215 E HN 0.405 nan 8.360 nan 0.000 0.491 216 G N 1.241 110.047 108.800 0.010 0.000 2.392 216 G HA2 -0.210 3.754 3.960 0.007 0.000 0.215 216 G HA3 -0.210 3.754 3.960 0.007 0.000 0.215 216 G C 0.317 175.213 174.900 -0.006 0.000 1.097 216 G CA 0.169 45.275 45.100 0.009 0.000 0.840 216 G HN 0.247 nan 8.290 nan 0.000 0.492 217 V N -2.065 117.845 119.914 -0.007 0.000 2.881 217 V HA 0.735 4.859 4.120 0.007 0.000 0.303 217 V C 1.530 177.598 176.094 -0.043 0.000 1.070 217 V CA 0.869 63.144 62.300 -0.042 0.000 1.074 217 V CB 1.085 32.882 31.823 -0.045 0.000 1.012 217 V HN 0.319 nan 8.190 nan 0.000 0.482 218 T N 2.637 117.106 114.554 -0.142 0.000 2.777 218 T HA 0.044 4.398 4.350 0.007 0.000 0.266 218 T C 0.168 174.887 174.700 0.033 0.000 1.040 218 T CA 2.383 64.389 62.100 -0.156 0.000 1.141 218 T CB -0.287 68.301 68.868 -0.466 0.000 0.868 218 T HN 1.128 nan 8.240 nan 0.000 0.444 219 W N -0.659 120.585 121.300 -0.094 0.000 3.275 219 W HA 0.608 5.273 4.660 0.009 0.000 0.306 219 W C -2.572 173.903 176.519 -0.073 0.000 1.259 219 W CA -2.170 55.137 57.345 -0.064 0.000 1.194 219 W CB 0.139 29.567 29.460 -0.054 0.000 1.375 219 W HN -0.197 nan 8.180 nan 0.000 0.564 220 I N 3.072 123.835 120.570 0.321 0.000 2.328 220 I HA 0.223 4.397 4.170 0.007 0.000 0.287 220 I C -0.043 176.150 176.117 0.127 0.000 1.012 220 I CA -0.705 60.723 61.300 0.214 0.000 1.195 220 I CB 1.468 39.572 38.000 0.173 0.000 1.350 220 I HN 0.579 nan 8.210 nan 0.000 0.464 221 E N 7.200 127.475 120.200 0.125 0.000 2.166 221 E HA 0.198 4.552 4.350 0.007 0.000 0.275 221 E C -0.481 176.147 176.600 0.047 0.000 0.941 221 E CA -0.430 55.963 56.400 -0.013 0.000 0.784 221 E CB 0.973 30.644 29.700 -0.049 0.000 1.115 221 E HN 0.519 nan 8.360 nan 0.000 0.399 222 E N 3.207 123.423 120.200 0.026 0.000 2.202 222 E HA -0.180 4.173 4.350 0.007 0.000 0.169 222 E C -1.891 174.768 176.600 0.098 0.000 1.536 222 E CA -0.096 56.362 56.400 0.098 0.000 0.664 222 E CB -0.335 29.377 29.700 0.021 0.000 1.064 222 E HN 0.529 nan 8.360 nan 0.000 0.327 223 P HA -0.137 nan 4.420 nan 0.000 0.215 223 P C 0.877 178.082 177.300 -0.157 0.000 1.157 223 P CA 1.250 64.323 63.100 -0.046 0.000 0.859 223 P CB 0.286 31.902 31.700 -0.139 0.000 0.786 224 T N -1.756 112.634 114.554 -0.272 0.000 2.841 224 T HA 0.465 4.819 4.350 0.007 0.000 0.276 224 T C -0.372 174.301 174.700 -0.045 0.000 1.003 224 T CA -1.026 60.948 62.100 -0.210 0.000 0.995 224 T CB 0.050 68.746 68.868 -0.287 0.000 1.260 224 T HN -0.242 nan 8.240 nan 0.000 0.581 225 L N 2.852 124.030 121.223 -0.076 0.000 2.578 225 L HA 0.036 4.380 4.340 0.007 0.000 0.279 225 L C 2.087 178.935 176.870 -0.036 0.000 1.227 225 L CA -0.042 54.730 54.840 -0.114 0.000 0.900 225 L CB 0.522 42.403 42.059 -0.297 0.000 1.144 225 L HN 0.825 nan 8.230 nan 0.000 0.496 226 Q N 2.871 122.659 119.800 -0.020 0.000 2.135 226 Q HA -0.259 4.085 4.340 0.007 0.000 0.204 226 Q C 1.762 177.781 176.000 0.032 0.000 0.981 226 Q CA 2.335 58.153 55.803 0.023 0.000 0.856 226 Q CB -0.441 28.300 28.738 0.004 0.000 0.902 226 Q HN 0.797 nan 8.270 nan 0.000 0.425 227 H N -1.489 117.595 119.070 0.022 0.000 2.547 227 H HA 0.055 4.614 4.556 0.005 0.000 0.272 227 H C -0.112 174.998 175.328 -0.365 0.000 0.989 227 H CA 0.716 56.655 56.048 -0.180 0.000 1.214 227 H CB 0.015 29.674 29.762 -0.173 0.000 1.389 227 H HN 0.272 nan 8.280 nan 0.000 0.577 228 D N 1.102 121.289 120.400 -0.354 0.000 2.608 228 D HA -0.042 4.602 4.640 0.007 0.000 0.224 228 D C 0.420 176.838 176.300 0.196 0.000 1.123 228 D CA -0.417 53.525 54.000 -0.097 0.000 1.030 228 D CB -0.376 40.365 40.800 -0.098 0.000 1.093 228 D HN 0.186 nan 8.370 nan 0.000 0.497 229 Y N 0.833 121.181 120.300 0.079 0.000 2.097 229 Y HA -0.163 4.388 4.550 0.002 0.000 0.282 229 Y C 2.309 178.262 175.900 0.087 0.000 1.152 229 Y CA 0.747 58.872 58.100 0.042 0.000 1.136 229 Y CB -0.691 37.770 38.460 0.000 0.000 0.975 229 Y HN 0.373 nan 8.280 nan 0.000 0.498 230 E N 0.432 120.762 120.200 0.217 0.000 2.058 230 E HA -0.183 4.171 4.350 0.007 0.000 0.194 230 E C 2.545 179.212 176.600 0.113 0.000 0.997 230 E CA 1.347 57.825 56.400 0.129 0.000 0.801 230 E CB -0.589 29.158 29.700 0.077 0.000 0.746 230 E HN 0.498 nan 8.360 nan 0.000 0.450 231 G N 0.817 109.683 108.800 0.110 0.000 2.491 231 G HA2 -0.294 3.670 3.960 0.007 0.000 0.218 231 G HA3 -0.294 3.670 3.960 0.007 0.000 0.218 231 G C 1.547 176.469 174.900 0.036 0.000 1.180 231 G CA 1.234 46.363 45.100 0.048 0.000 0.774 231 G HN 0.429 nan 8.290 nan 0.000 0.562 232 H N -0.291 118.793 119.070 0.024 0.000 2.422 232 H HA -0.076 4.483 4.556 0.005 0.000 0.298 232 H C 2.625 177.961 175.328 0.014 0.000 1.098 232 H CA 1.417 57.477 56.048 0.020 0.000 1.315 232 H CB 0.123 29.913 29.762 0.046 0.000 1.382 232 H HN 0.371 nan 8.280 nan 0.000 0.523 233 Q N 1.635 121.526 119.800 0.152 0.000 2.172 233 Q HA -0.100 4.244 4.340 0.007 0.000 0.200 233 Q C 2.122 178.148 176.000 0.042 0.000 0.964 233 Q CA 0.837 56.687 55.803 0.079 0.000 0.855 233 Q CB 0.080 28.857 28.738 0.064 0.000 0.918 233 Q HN 0.512 nan 8.270 nan 0.000 0.444 234 R N -0.270 120.248 120.500 0.031 0.000 2.075 234 R HA -0.030 4.314 4.340 0.007 0.000 0.232 234 R C 2.510 178.805 176.300 -0.008 0.000 1.126 234 R CA 1.217 57.321 56.100 0.007 0.000 0.963 234 R CB -0.346 29.953 30.300 -0.002 0.000 0.858 234 R HN 0.248 nan 8.270 nan 0.000 0.435 235 I N 1.047 121.601 120.570 -0.026 0.000 2.142 235 I HA -0.306 3.868 4.170 0.007 0.000 0.240 235 I C 2.748 178.858 176.117 -0.011 0.000 1.078 235 I CA 1.389 62.664 61.300 -0.041 0.000 1.343 235 I CB -0.294 37.649 38.000 -0.094 0.000 1.046 235 I HN 0.102 nan 8.210 nan 0.000 0.405 236 Q N 1.106 120.911 119.800 0.008 0.000 2.181 236 Q HA -0.229 4.115 4.340 0.007 0.000 0.205 236 Q C 2.216 178.227 176.000 0.018 0.000 0.980 236 Q CA 2.341 58.157 55.803 0.021 0.000 0.862 236 Q CB -0.325 28.432 28.738 0.032 0.000 0.905 236 Q HN 0.584 nan 8.270 nan 0.000 0.429 237 S N -0.807 114.901 115.700 0.014 0.000 2.447 237 S HA -0.079 4.395 4.470 0.007 0.000 0.233 237 S C 1.279 175.885 174.600 0.010 0.000 1.006 237 S CA 0.763 58.971 58.200 0.013 0.000 0.957 237 S CB -0.106 63.100 63.200 0.011 0.000 0.773 237 S HN 0.308 nan 8.310 nan 0.000 0.507 238 K N 0.771 121.176 120.400 0.007 0.000 2.387 238 K HA 0.400 4.724 4.320 0.007 0.000 0.198 238 K C -0.039 176.568 176.600 0.012 0.000 1.022 238 K CA 0.039 56.329 56.287 0.006 0.000 1.128 238 K CB 0.058 32.557 32.500 -0.002 0.000 0.853 238 K HN 0.453 nan 8.250 nan 0.000 0.523 239 L N -0.286 120.947 121.223 0.018 0.000 2.279 239 L HA 0.367 4.711 4.340 0.007 0.000 0.262 239 L C 0.981 177.869 176.870 0.030 0.000 1.019 239 L CA -0.868 53.987 54.840 0.026 0.000 0.823 239 L CB 1.158 43.236 42.059 0.033 0.000 1.358 239 L HN -0.201 nan 8.230 nan 0.000 0.432 240 N N -0.497 118.224 118.700 0.036 0.000 2.499 240 N HA 0.058 4.802 4.740 0.007 0.000 0.182 240 N C 0.220 175.761 175.510 0.052 0.000 1.034 240 N CA 0.350 53.423 53.050 0.039 0.000 0.882 240 N CB 0.802 39.310 38.487 0.036 0.000 1.125 240 N HN 0.253 nan 8.380 nan 0.000 0.436 241 V N 4.200 124.150 119.914 0.059 0.000 2.843 241 V HA 0.123 4.247 4.120 0.007 0.000 0.305 241 V C -2.158 173.988 176.094 0.087 0.000 1.065 241 V CA -1.280 61.067 62.300 0.079 0.000 1.116 241 V CB 1.104 32.976 31.823 0.081 0.000 0.968 241 V HN 0.089 nan 8.190 nan 0.000 0.487 242 P HA 0.193 nan 4.420 nan 0.000 0.281 242 P C -0.764 176.586 177.300 0.083 0.000 1.252 242 P CA -0.024 63.136 63.100 0.100 0.000 0.778 242 P CB 0.887 32.669 31.700 0.138 0.000 0.895 243 V N 4.270 124.204 119.914 0.034 0.000 2.488 243 V HA 0.136 4.260 4.120 0.007 0.000 0.277 243 V C 0.615 176.650 176.094 -0.098 0.000 1.046 243 V CA 0.231 62.535 62.300 0.006 0.000 0.986 243 V CB 0.651 32.496 31.823 0.037 0.000 0.989 243 V HN 0.536 nan 8.190 nan 0.000 0.475 244 Q N 6.091 125.756 119.800 -0.225 0.000 2.274 244 Q HA 0.840 5.184 4.340 0.007 0.000 0.260 244 Q C -0.716 175.058 176.000 -0.377 0.000 0.974 244 Q CA -0.506 55.007 55.803 -0.484 0.000 0.876 244 Q CB 1.733 29.761 28.738 -1.184 0.000 1.297 244 Q HN 0.830 nan 8.270 nan 0.000 0.446 245 M N 0.933 120.270 119.600 -0.438 0.000 2.949 245 M HA 0.754 5.238 4.480 0.007 0.000 0.270 245 M C -0.499 175.246 176.300 -0.925 0.000 1.221 245 M CA 0.044 55.023 55.300 -0.535 0.000 0.818 245 M CB 1.298 33.635 32.600 -0.437 0.000 1.635 245 M HN 0.804 nan 8.290 nan 0.000 0.492 246 G N 0.409 108.432 108.800 -1.295 0.000 2.273 246 G HA2 -0.170 3.794 3.960 0.007 0.000 0.162 246 G HA3 -0.170 3.794 3.960 0.007 0.000 0.162 246 G C 0.257 174.583 174.900 -0.956 0.000 1.006 246 G CA 0.372 44.213 45.100 -2.100 0.000 0.704 246 G HN 1.059 nan 8.290 nan 0.000 0.487 247 E N 0.188 120.037 120.200 -0.585 0.000 2.274 247 E HA 0.001 4.355 4.350 0.007 0.000 0.194 247 E C 1.388 177.922 176.600 -0.111 0.000 0.996 247 E CA 0.853 57.075 56.400 -0.297 0.000 0.840 247 E CB -0.119 29.205 29.700 -0.627 0.000 0.772 247 E HN 0.340 nan 8.360 nan 0.000 0.491 248 N N 0.066 118.641 118.700 -0.209 0.000 2.236 248 N HA 0.005 4.749 4.740 0.007 0.000 0.196 248 N C -0.781 174.793 175.510 0.107 0.000 1.114 248 N CA 0.022 53.044 53.050 -0.048 0.000 0.859 248 N CB 0.156 38.606 38.487 -0.061 0.000 0.982 248 N HN 0.190 nan 8.380 nan 0.000 0.493 249 W N 1.886 123.192 121.300 0.010 0.000 2.655 249 W HA 0.186 4.851 4.660 0.008 0.000 0.333 249 W C 0.281 176.808 176.519 0.012 0.000 1.382 249 W CA -0.602 56.745 57.345 0.003 0.000 1.398 249 W CB -0.533 28.895 29.460 -0.053 0.000 1.481 249 W HN -0.074 nan 8.180 nan 0.000 0.526 250 L N 5.036 126.392 121.223 0.223 0.000 2.302 250 L HA 0.494 4.838 4.340 0.007 0.000 0.285 250 L C 1.013 177.923 176.870 0.066 0.000 1.090 250 L CA 0.070 54.972 54.840 0.104 0.000 0.866 250 L CB -0.408 41.675 42.059 0.042 0.000 1.244 250 L HN 0.603 nan 8.230 nan 0.000 0.435 251 G N 3.899 112.738 108.800 0.065 0.000 2.663 251 G HA2 -0.139 3.825 3.960 0.007 0.000 0.686 251 G HA3 -0.139 3.825 3.960 0.007 0.000 0.686 251 G C -2.510 172.403 174.900 0.022 0.000 1.246 251 G CA -0.953 44.172 45.100 0.040 0.000 0.795 251 G HN 0.377 nan 8.290 nan 0.000 0.627 252 P HA -0.025 nan 4.420 nan 0.000 0.222 252 P C 1.770 179.027 177.300 -0.072 0.000 1.147 252 P CA 1.625 64.698 63.100 -0.045 0.000 0.790 252 P CB 0.109 31.796 31.700 -0.023 0.000 0.780 253 E N 1.045 121.227 120.200 -0.029 0.000 2.150 253 E HA -0.208 4.146 4.350 0.007 0.000 0.193 253 E C 1.428 178.005 176.600 -0.038 0.000 0.985 253 E CA 1.280 57.673 56.400 -0.012 0.000 0.814 253 E CB -0.871 28.841 29.700 0.020 0.000 0.752 253 E HN 0.361 nan 8.360 nan 0.000 0.466 254 E N 0.538 120.682 120.200 -0.094 0.000 2.158 254 E HA -0.079 4.275 4.350 0.007 0.000 0.191 254 E C 2.194 178.373 176.600 -0.703 0.000 0.982 254 E CA 0.893 57.194 56.400 -0.165 0.000 0.823 254 E CB -0.224 29.500 29.700 0.040 0.000 0.766 254 E HN 0.282 nan 8.360 nan 0.000 0.468 255 M N 0.601 119.672 119.600 -0.881 0.000 2.067 255 M HA -0.203 4.281 4.480 0.007 0.000 0.260 255 M C 2.122 177.813 176.300 -1.014 0.000 1.069 255 M CA 1.519 55.898 55.300 -1.534 0.000 1.117 255 M CB -0.217 31.848 32.600 -0.891 0.000 1.334 255 M HN 0.076 nan 8.290 nan 0.000 0.407 256 F N 1.192 120.765 119.950 -0.628 0.000 2.087 256 F HA -0.310 4.223 4.527 0.011 0.000 0.299 256 F C 2.053 177.597 175.800 -0.426 0.000 1.100 256 F CA 2.283 60.033 58.000 -0.416 0.000 1.226 256 F CB -0.386 38.505 39.000 -0.182 0.000 0.983 256 F HN 0.138 nan 8.300 nan 0.000 0.479 257 K N -0.175 120.036 120.400 -0.315 0.000 2.009 257 K HA -0.187 4.137 4.320 0.007 0.000 0.210 257 K C 2.332 178.637 176.600 -0.493 0.000 1.049 257 K CA 1.563 57.685 56.287 -0.274 0.000 0.929 257 K CB -0.692 31.814 32.500 0.010 0.000 0.714 257 K HN 0.349 nan 8.250 nan 0.000 0.440 258 A N 1.128 123.403 122.820 -0.908 0.000 1.902 258 A HA -0.139 4.185 4.320 0.007 0.000 0.217 258 A C 2.101 179.294 177.584 -0.651 0.000 1.181 258 A CA 1.319 52.776 52.037 -0.968 0.000 0.623 258 A CB -0.673 17.634 19.000 -1.155 0.000 0.818 258 A HN 0.185 nan 8.150 nan 0.000 0.443 259 L N -0.383 120.327 121.223 -0.855 0.000 2.141 259 L HA -0.126 4.218 4.340 0.007 0.000 0.209 259 L C 2.661 179.006 176.870 -0.875 0.000 1.094 259 L CA 1.339 55.583 54.840 -0.993 0.000 0.763 259 L CB -0.502 40.531 42.059 -1.711 0.000 0.908 259 L HN 0.326 nan 8.230 nan 0.000 0.437 260 S N 0.495 115.743 115.700 -0.754 0.000 2.419 260 S HA -0.085 4.389 4.470 0.007 0.000 0.233 260 S C 1.732 176.213 174.600 -0.197 0.000 1.016 260 S CA 1.174 59.125 58.200 -0.414 0.000 0.974 260 S CB -0.122 62.805 63.200 -0.456 0.000 0.786 260 S HN 0.553 nan 8.310 nan 0.000 0.492 261 I N -2.077 118.374 120.570 -0.197 0.000 3.956 261 I HA 0.427 4.601 4.170 0.007 0.000 0.333 261 I C 1.010 177.086 176.117 -0.067 0.000 1.302 261 I CA 0.234 61.483 61.300 -0.085 0.000 1.122 261 I CB -0.527 37.458 38.000 -0.026 0.000 1.013 261 I HN 0.234 nan 8.210 nan 0.000 0.405 262 G N 2.093 110.823 108.800 -0.117 0.000 2.256 262 G HA2 -0.269 3.695 3.960 0.007 0.000 0.272 262 G HA3 -0.269 3.695 3.960 0.007 0.000 0.272 262 G C 0.885 175.756 174.900 -0.048 0.000 1.076 262 G CA 0.339 45.394 45.100 -0.075 0.000 0.882 262 G HN 0.712 nan 8.290 nan 0.000 0.497 263 A N -1.420 121.353 122.820 -0.078 0.000 2.015 263 A HA 0.379 4.703 4.320 0.007 0.000 0.219 263 A C 1.803 179.400 177.584 0.022 0.000 1.163 263 A CA 2.173 54.208 52.037 -0.003 0.000 0.646 263 A CB -0.387 18.591 19.000 -0.037 0.000 0.806 263 A HN 2.193 nan 8.150 nan 0.000 0.448 264 C N -5.150 114.136 119.300 -0.023 0.000 3.323 264 C HA 0.769 5.233 4.460 0.007 0.000 0.324 264 C C 1.012 175.985 174.990 -0.028 0.000 1.428 264 C CA -0.892 58.118 59.018 -0.014 0.000 1.368 264 C CB 1.331 29.051 27.740 -0.033 0.000 1.731 264 C HN 0.367 nan 8.230 nan 0.000 0.455 265 R N -0.255 120.230 120.500 -0.026 0.000 2.225 265 R HA 0.407 4.751 4.340 0.007 0.000 0.194 265 R C -0.357 175.919 176.300 -0.040 0.000 0.957 265 R CA 0.460 56.549 56.100 -0.017 0.000 1.042 265 R CB 0.094 30.399 30.300 0.009 0.000 1.004 265 R HN 0.685 nan 8.270 nan 0.000 0.509 266 L N -0.721 120.452 121.223 -0.082 0.000 2.309 266 L HA 0.739 5.083 4.340 0.007 0.000 0.261 266 L C -0.746 176.024 176.870 -0.167 0.000 1.021 266 L CA -1.124 53.640 54.840 -0.126 0.000 0.823 266 L CB 2.037 43.995 42.059 -0.168 0.000 1.366 266 L HN -0.175 nan 8.230 nan 0.000 0.423 267 A N 2.160 124.897 122.820 -0.139 0.000 2.498 267 A HA 0.954 5.278 4.320 0.007 0.000 0.298 267 A C -0.789 176.708 177.584 -0.145 0.000 1.075 267 A CA -0.568 51.376 52.037 -0.155 0.000 0.714 267 A CB 1.998 21.034 19.000 0.061 0.000 1.299 267 A HN 0.785 nan 8.150 nan 0.000 0.407 268 M N 0.614 120.083 119.600 -0.218 0.000 2.151 268 M HA 0.368 4.852 4.480 0.007 0.000 0.229 268 M C -3.067 173.210 176.300 -0.038 0.000 1.029 268 M CA -1.516 53.755 55.300 -0.049 0.000 0.765 268 M CB 1.135 33.728 32.600 -0.011 0.000 1.969 268 M HN 0.218 nan 8.290 nan 0.000 0.352 269 P HA 0.060 nan 4.420 nan 0.000 0.269 269 P C -0.787 176.693 177.300 0.300 0.000 1.215 269 P CA 0.058 63.196 63.100 0.063 0.000 0.780 269 P CB 0.547 32.188 31.700 -0.098 0.000 0.898 270 N N 1.368 120.261 118.700 0.322 0.000 2.426 270 N HA 0.170 4.914 4.740 0.007 0.000 0.257 270 N C 1.171 176.867 175.510 0.310 0.000 1.002 270 N CA -0.235 53.074 53.050 0.432 0.000 0.942 270 N CB 1.123 39.918 38.487 0.514 0.000 1.112 270 N HN 0.292 nan 8.380 nan 0.000 0.499 271 A N 5.343 128.310 122.820 0.244 0.000 1.940 271 A HA -0.252 4.071 4.320 0.007 0.000 0.221 271 A C 2.115 179.573 177.584 -0.210 0.000 1.190 271 A CA 1.800 53.834 52.037 -0.006 0.000 0.647 271 A CB -0.498 18.322 19.000 -0.300 0.000 0.821 271 A HN 0.853 nan 8.150 nan 0.000 0.457 272 M N -0.770 118.572 119.600 -0.430 0.000 2.062 272 M HA -0.132 4.352 4.480 0.007 0.000 0.259 272 M C 2.004 178.299 176.300 -0.008 0.000 1.076 272 M CA 2.152 57.294 55.300 -0.262 0.000 1.122 272 M CB -0.263 32.233 32.600 -0.173 0.000 1.312 272 M HN 0.331 nan 8.290 nan 0.000 0.412 273 K N -0.028 120.438 120.400 0.111 0.000 2.211 273 K HA -0.157 4.167 4.320 0.007 0.000 0.204 273 K C 1.695 178.358 176.600 0.104 0.000 1.047 273 K CA 1.182 57.542 56.287 0.122 0.000 0.935 273 K CB -0.336 32.273 32.500 0.181 0.000 0.728 273 K HN 0.370 nan 8.250 nan 0.000 0.452 274 I N -0.191 120.455 120.570 0.128 0.000 3.251 274 I HA -0.001 4.173 4.170 0.007 0.000 0.277 274 I C 0.687 176.861 176.117 0.096 0.000 1.268 274 I CA 0.680 62.057 61.300 0.128 0.000 1.449 274 I CB 0.512 38.602 38.000 0.149 0.000 1.083 274 I HN 0.341 nan 8.210 nan 0.000 0.464 275 G N -0.269 108.575 108.800 0.073 0.000 2.186 275 G HA2 0.119 4.083 3.960 0.007 0.000 0.130 275 G HA3 0.119 4.083 3.960 0.007 0.000 0.130 275 G C 0.782 175.739 174.900 0.096 0.000 1.031 275 G CA -0.236 44.906 45.100 0.069 0.000 0.697 275 G HN 1.025 nan 8.290 nan 0.000 0.494 276 G N -1.443 107.392 108.800 0.057 0.000 2.569 276 G HA2 -0.092 3.872 3.960 0.007 0.000 0.259 276 G HA3 -0.092 3.872 3.960 0.007 0.000 0.259 276 G C 1.182 176.121 174.900 0.066 0.000 1.263 276 G CA 0.857 45.976 45.100 0.033 0.000 0.928 276 G HN 1.270 nan 8.290 nan 0.000 0.572 277 V N 0.682 120.593 119.914 -0.005 0.000 2.307 277 V HA -0.164 3.960 4.120 0.007 0.000 0.245 277 V C 3.219 179.277 176.094 -0.059 0.000 1.045 277 V CA 3.340 65.508 62.300 -0.219 0.000 1.024 277 V CB -1.207 30.128 31.823 -0.813 0.000 0.651 277 V HN 0.949 nan 8.190 nan 0.000 0.449 278 T N 0.440 115.088 114.554 0.156 0.000 2.665 278 T HA -0.190 4.164 4.350 0.007 0.000 0.268 278 T C 1.876 176.687 174.700 0.186 0.000 1.035 278 T CA 1.788 64.053 62.100 0.275 0.000 1.151 278 T CB -0.779 68.322 68.868 0.389 0.000 0.862 278 T HN 0.626 nan 8.240 nan 0.000 0.438 279 G N 0.156 109.061 108.800 0.174 0.000 2.408 279 G HA2 -0.199 3.765 3.960 0.007 0.000 0.217 279 G HA3 -0.199 3.765 3.960 0.007 0.000 0.217 279 G C 1.402 176.382 174.900 0.133 0.000 1.150 279 G CA 0.462 45.645 45.100 0.138 0.000 0.776 279 G HN 0.519 nan 8.290 nan 0.000 0.542 280 W N 1.319 122.619 121.300 -0.000 0.000 2.333 280 W HA -0.145 4.521 4.660 0.010 0.000 0.316 280 W C 2.311 178.827 176.519 -0.005 0.000 1.215 280 W CA 1.436 58.778 57.345 -0.006 0.000 1.278 280 W CB -0.502 28.926 29.460 -0.052 0.000 1.154 280 W HN 0.243 nan 8.180 nan 0.000 0.486 281 I N 0.824 121.550 120.570 0.260 0.000 2.185 281 I HA -0.395 3.779 4.170 0.007 0.000 0.246 281 I C 2.633 178.786 176.117 0.060 0.000 1.088 281 I CA 1.966 63.358 61.300 0.153 0.000 1.347 281 I CB -0.551 37.502 38.000 0.087 0.000 1.041 281 I HN -0.050 nan 8.210 nan 0.000 0.415 282 R N 0.258 120.784 120.500 0.044 0.000 2.073 282 R HA -0.037 4.307 4.340 0.007 0.000 0.229 282 R C 2.444 178.723 176.300 -0.036 0.000 1.120 282 R CA 1.328 57.435 56.100 0.013 0.000 0.967 282 R CB -0.504 29.810 30.300 0.025 0.000 0.862 282 R HN 0.366 nan 8.270 nan 0.000 0.436 283 A N 0.383 123.139 122.820 -0.107 0.000 1.930 283 A HA -0.181 4.143 4.320 0.007 0.000 0.217 283 A C 2.150 179.619 177.584 -0.190 0.000 1.175 283 A CA 1.796 53.728 52.037 -0.174 0.000 0.627 283 A CB -0.682 18.148 19.000 -0.282 0.000 0.815 283 A HN 0.330 nan 8.150 nan 0.000 0.443 284 S N -0.178 115.370 115.700 -0.253 0.000 2.399 284 S HA -0.044 4.430 4.470 0.007 0.000 0.231 284 S C 2.043 176.631 174.600 -0.020 0.000 1.022 284 S CA 1.560 59.676 58.200 -0.139 0.000 0.983 284 S CB -0.420 62.756 63.200 -0.040 0.000 0.803 284 S HN 0.813 nan 8.310 nan 0.000 0.480 285 A N 1.271 124.091 122.820 -0.000 0.000 1.968 285 A HA 0.203 4.527 4.320 0.007 0.000 0.217 285 A C 2.210 179.829 177.584 0.059 0.000 1.169 285 A CA 0.941 52.995 52.037 0.028 0.000 0.638 285 A CB -0.560 18.456 19.000 0.027 0.000 0.812 285 A HN 0.568 nan 8.150 nan 0.000 0.446 286 L N -0.766 120.508 121.223 0.085 0.000 1.994 286 L HA -0.199 4.145 4.340 0.007 0.000 0.208 286 L C 3.153 180.186 176.870 0.271 0.000 1.071 286 L CA 1.293 56.263 54.840 0.217 0.000 0.745 286 L CB -0.786 41.377 42.059 0.173 0.000 0.892 286 L HN 0.446 nan 8.230 nan 0.000 0.431 287 A N -0.423 122.466 122.820 0.115 0.000 1.908 287 A HA -0.311 4.013 4.320 0.007 0.000 0.218 287 A C 2.257 179.907 177.584 0.110 0.000 1.181 287 A CA 2.075 54.168 52.037 0.094 0.000 0.627 287 A CB -0.672 18.337 19.000 0.015 0.000 0.818 287 A HN 0.530 nan 8.150 nan 0.000 0.445 288 Q N -1.257 118.588 119.800 0.075 0.000 2.030 288 Q HA -0.258 4.086 4.340 0.007 0.000 0.204 288 Q C 2.158 178.180 176.000 0.037 0.000 0.986 288 Q CA 1.812 57.645 55.803 0.050 0.000 0.843 288 Q CB -0.170 28.589 28.738 0.035 0.000 0.904 288 Q HN 0.611 nan 8.270 nan 0.000 0.420 289 Q N -0.567 119.246 119.800 0.022 0.000 2.167 289 Q HA -0.095 4.249 4.340 0.007 0.000 0.202 289 Q C 1.649 177.566 176.000 -0.138 0.000 0.970 289 Q CA 1.094 56.846 55.803 -0.085 0.000 0.855 289 Q CB -0.104 28.540 28.738 -0.157 0.000 0.911 289 Q HN 0.404 nan 8.270 nan 0.000 0.438 290 F N -0.096 119.838 119.950 -0.028 0.000 2.780 290 F HA 0.197 4.723 4.527 -0.002 0.000 0.299 290 F C 1.309 177.085 175.800 -0.040 0.000 1.146 290 F CA 0.604 58.575 58.000 -0.047 0.000 1.428 290 F CB 0.082 39.035 39.000 -0.078 0.000 1.115 290 F HN 0.164 nan 8.300 nan 0.000 0.583 291 G N 1.771 110.638 108.800 0.112 0.000 2.314 291 G HA2 -0.263 3.701 3.960 0.007 0.000 0.292 291 G HA3 -0.263 3.701 3.960 0.007 0.000 0.292 291 G C -0.117 174.814 174.900 0.052 0.000 1.059 291 G CA -0.151 44.986 45.100 0.060 0.000 0.982 291 G HN 0.229 nan 8.290 nan 0.000 0.505 292 I N 0.595 121.198 120.570 0.055 0.000 2.382 292 I HA 0.246 4.420 4.170 0.007 0.000 0.285 292 I C -2.252 173.860 176.117 -0.008 0.000 1.007 292 I CA -2.372 58.938 61.300 0.016 0.000 1.142 292 I CB 1.779 39.790 38.000 0.019 0.000 1.289 292 I HN -0.141 nan 8.210 nan 0.000 0.453 293 P HA 0.158 nan 4.420 nan 0.000 0.266 293 P C -0.398 176.889 177.300 -0.020 0.000 1.215 293 P CA 0.069 63.103 63.100 -0.109 0.000 0.763 293 P CB 0.564 32.026 31.700 -0.396 0.000 0.806 294 M N 3.366 123.015 119.600 0.082 0.000 2.129 294 M HA 0.309 4.793 4.480 0.007 0.000 0.348 294 M C -0.423 176.053 176.300 0.292 0.000 1.116 294 M CA 0.209 55.585 55.300 0.127 0.000 1.022 294 M CB 0.666 33.300 32.600 0.056 0.000 1.599 294 M HN 0.214 nan 8.290 nan 0.000 0.449 295 S N 1.514 117.416 115.700 0.337 0.000 2.768 295 S HA 0.744 5.218 4.470 0.007 0.000 0.300 295 S C -0.614 174.261 174.600 0.457 0.000 1.122 295 S CA -0.902 57.586 58.200 0.479 0.000 0.995 295 S CB 1.770 65.351 63.200 0.635 0.000 1.195 295 S HN 0.795 nan 8.310 nan 0.000 0.547 296 S N -0.062 115.936 115.700 0.496 0.000 2.689 296 S HA 0.543 5.017 4.470 0.007 0.000 0.306 296 S C -1.118 173.757 174.600 0.459 0.000 1.104 296 S CA -0.697 57.806 58.200 0.506 0.000 0.973 296 S CB 1.208 64.666 63.200 0.431 0.000 1.121 296 S HN 0.813 nan 8.310 nan 0.000 0.523 297 H N 1.683 120.955 119.070 0.337 0.000 2.906 297 H HA 0.500 5.060 4.556 0.007 0.000 0.324 297 H C -0.268 175.260 175.328 0.334 0.000 0.973 297 H CA -0.467 55.754 56.048 0.288 0.000 1.321 297 H CB 0.301 30.212 29.762 0.247 0.000 1.535 297 H HN 0.864 nan 8.280 nan 0.000 0.518 298 L N 2.856 123.969 121.223 -0.183 0.000 1.641 298 L HA -0.371 3.973 4.340 0.007 0.000 0.351 298 L C 0.005 176.923 176.870 0.081 0.000 1.082 298 L CA 1.037 55.724 54.840 -0.253 0.000 1.226 298 L CB -0.961 40.736 42.059 -0.603 0.000 0.561 298 L HN 0.882 nan 8.230 nan 0.000 0.249 299 F N -0.942 118.998 119.950 -0.017 0.000 3.027 299 F HA -0.244 4.287 4.527 0.006 0.000 0.276 299 F C 1.899 177.707 175.800 0.014 0.000 0.967 299 F CA 1.308 59.314 58.000 0.011 0.000 0.929 299 F CB -1.850 37.093 39.000 -0.095 0.000 0.873 299 F HN 0.640 nan 8.300 nan 0.000 0.787 300 Q N -0.142 119.738 119.800 0.132 0.000 2.217 300 Q HA -0.283 4.061 4.340 0.007 0.000 0.209 300 Q C 1.433 177.490 176.000 0.095 0.000 0.988 300 Q CA 2.284 58.158 55.803 0.119 0.000 0.878 300 Q CB -0.288 28.548 28.738 0.162 0.000 0.909 300 Q HN 0.659 nan 8.270 nan 0.000 0.424 301 E N 1.346 121.625 120.200 0.132 0.000 2.031 301 E HA -0.114 4.240 4.350 0.007 0.000 0.193 301 E C 1.923 178.602 176.600 0.131 0.000 0.994 301 E CA 1.544 58.015 56.400 0.117 0.000 0.800 301 E CB -0.226 29.567 29.700 0.156 0.000 0.752 301 E HN 0.450 nan 8.360 nan 0.000 0.447 302 I N 0.188 120.809 120.570 0.084 0.000 2.584 302 I HA -0.177 3.997 4.170 0.007 0.000 0.255 302 I C 1.469 177.525 176.117 -0.102 0.000 1.145 302 I CA 0.604 61.901 61.300 -0.006 0.000 1.462 302 I CB 0.130 38.061 38.000 -0.115 0.000 1.102 302 I HN 0.006 nan 8.210 nan 0.000 0.433 303 S N 1.346 116.988 115.700 -0.098 0.000 2.383 303 S HA -0.185 4.288 4.470 0.007 0.000 0.229 303 S C 2.210 176.721 174.600 -0.149 0.000 1.030 303 S CA 1.159 59.236 58.200 -0.205 0.000 1.002 303 S CB -0.582 62.590 63.200 -0.046 0.000 0.829 303 S HN 0.628 nan 8.310 nan 0.000 0.467 304 A N 2.428 125.204 122.820 -0.074 0.000 1.892 304 A HA -0.220 4.104 4.320 0.007 0.000 0.218 304 A C 1.969 179.453 177.584 -0.167 0.000 1.188 304 A CA 1.659 53.622 52.037 -0.124 0.000 0.631 304 A CB -1.025 17.859 19.000 -0.193 0.000 0.822 304 A HN 0.612 nan 8.150 nan 0.000 0.447 305 H N -0.470 118.499 119.070 -0.168 0.000 2.326 305 H HA -0.040 4.520 4.556 0.006 0.000 0.301 305 H C 2.190 177.378 175.328 -0.233 0.000 1.081 305 H CA 1.581 57.524 56.048 -0.174 0.000 1.334 305 H CB -0.315 29.338 29.762 -0.181 0.000 1.385 305 H HN 0.400 nan 8.280 nan 0.000 0.504 306 L N 0.581 121.660 121.223 -0.240 0.000 1.989 306 L HA -0.228 4.116 4.340 0.007 0.000 0.211 306 L C 2.730 179.452 176.870 -0.248 0.000 1.071 306 L CA 1.066 55.583 54.840 -0.539 0.000 0.749 306 L CB -0.596 40.632 42.059 -1.385 0.000 0.890 306 L HN 0.174 nan 8.230 nan 0.000 0.431 307 L N -0.332 120.814 121.223 -0.128 0.000 2.127 307 L HA -0.207 4.137 4.340 0.007 0.000 0.211 307 L C 2.720 179.639 176.870 0.082 0.000 1.089 307 L CA 1.047 55.957 54.840 0.115 0.000 0.757 307 L CB -0.683 41.456 42.059 0.134 0.000 0.899 307 L HN 0.271 nan 8.230 nan 0.000 0.434 308 A N -0.349 122.474 122.820 0.004 0.000 2.119 308 A HA 0.084 4.408 4.320 0.007 0.000 0.217 308 A C 2.143 179.742 177.584 0.024 0.000 1.153 308 A CA 1.288 53.326 52.037 0.001 0.000 0.692 308 A CB -0.374 18.601 19.000 -0.042 0.000 0.799 308 A HN 0.367 nan 8.150 nan 0.000 0.458 309 A N -0.949 121.894 122.820 0.038 0.000 2.423 309 A HA 0.398 4.722 4.320 0.007 0.000 0.246 309 A C 0.616 178.272 177.584 0.121 0.000 1.278 309 A CA 0.193 52.263 52.037 0.055 0.000 0.903 309 A CB -0.182 18.830 19.000 0.020 0.000 0.997 309 A HN 0.192 nan 8.150 nan 0.000 0.510 310 T N 1.910 116.563 114.554 0.165 0.000 2.749 310 T HA 0.370 4.724 4.350 0.007 0.000 0.287 310 T C -1.896 172.881 174.700 0.129 0.000 0.970 310 T CA -1.039 61.185 62.100 0.208 0.000 0.980 310 T CB 1.609 70.680 68.868 0.338 0.000 0.924 310 T HN 0.053 nan 8.240 nan 0.000 0.456 311 P HA -0.044 nan 4.420 nan 0.000 0.218 311 P C 1.265 178.604 177.300 0.066 0.000 1.149 311 P CA 0.974 64.114 63.100 0.067 0.000 0.817 311 P CB -0.018 31.712 31.700 0.051 0.000 0.785 312 T N -3.975 110.626 114.554 0.078 0.000 3.243 312 T HA 0.570 4.924 4.350 0.007 0.000 0.264 312 T C 0.648 175.416 174.700 0.113 0.000 1.000 312 T CA -0.592 61.550 62.100 0.071 0.000 0.901 312 T CB -0.796 68.100 68.868 0.047 0.000 1.083 312 T HN 0.077 nan 8.240 nan 0.000 0.559 313 A N 1.101 124.007 122.820 0.142 0.000 2.584 313 A HA 0.151 4.475 4.320 0.007 0.000 0.239 313 A C 0.792 178.508 177.584 0.221 0.000 1.043 313 A CA 0.380 52.533 52.037 0.193 0.000 0.756 313 A CB -0.203 18.887 19.000 0.150 0.000 0.963 313 A HN 0.791 nan 8.150 nan 0.000 0.511 314 H N 1.058 120.219 119.070 0.151 0.000 3.309 314 H HA 0.309 4.870 4.556 0.008 0.000 0.195 314 H C -0.631 174.719 175.328 0.036 0.000 1.202 314 H CA -0.346 55.780 56.048 0.130 0.000 1.470 314 H CB 0.561 30.510 29.762 0.313 0.000 1.411 314 H HN 0.701 nan 8.280 nan 0.000 0.477 315 W N 1.552 122.997 121.300 0.242 0.000 2.736 315 W HA 0.437 5.100 4.660 0.005 0.000 0.335 315 W C -1.122 175.558 176.519 0.268 0.000 1.059 315 W CA -0.650 56.817 57.345 0.203 0.000 1.226 315 W CB 1.719 31.351 29.460 0.287 0.000 1.416 315 W HN 0.151 nan 8.180 nan 0.000 0.505 316 L N 2.746 124.238 121.223 0.448 0.000 2.307 316 L HA 0.449 4.793 4.340 0.007 0.000 0.282 316 L C 0.021 176.911 176.870 0.033 0.000 1.051 316 L CA -0.504 54.497 54.840 0.267 0.000 0.804 316 L CB 1.177 43.355 42.059 0.198 0.000 1.197 316 L HN 0.459 nan 8.230 nan 0.000 0.431 317 E N 5.528 125.663 120.200 -0.108 0.000 2.146 317 E HA 0.191 4.545 4.350 0.007 0.000 0.282 317 E C -0.792 175.620 176.600 -0.314 0.000 0.989 317 E CA -0.782 55.268 56.400 -0.582 0.000 0.799 317 E CB 0.979 30.514 29.700 -0.274 0.000 1.088 317 E HN 0.561 nan 8.360 nan 0.000 0.397 318 R N 5.372 125.608 120.500 -0.439 0.000 2.216 318 R HA 0.366 4.710 4.340 0.007 0.000 0.332 318 R C -1.061 175.067 176.300 -0.286 0.000 1.056 318 R CA -0.256 55.673 56.100 -0.286 0.000 0.901 318 R CB 0.316 30.328 30.300 -0.480 0.000 1.039 318 R HN 0.613 nan 8.270 nan 0.000 0.456 319 L N 4.717 125.833 121.223 -0.179 0.000 2.635 319 L HA 0.135 4.479 4.340 0.007 0.000 0.251 319 L C -1.452 175.316 176.870 -0.170 0.000 1.056 319 L CA -0.494 54.244 54.840 -0.170 0.000 0.936 319 L CB 1.398 43.357 42.059 -0.166 0.000 1.162 319 L HN 0.708 nan 8.230 nan 0.000 0.481 320 D N 3.579 123.900 120.400 -0.133 0.000 2.367 320 D HA 0.149 4.793 4.640 0.007 0.000 0.255 320 D C 1.002 177.177 176.300 -0.208 0.000 1.300 320 D CA 0.097 54.025 54.000 -0.121 0.000 0.959 320 D CB 0.894 41.660 40.800 -0.057 0.000 1.064 320 D HN 0.510 nan 8.370 nan 0.000 0.509 321 L N 2.689 123.724 121.223 -0.313 0.000 2.095 321 L HA 0.018 4.362 4.340 0.007 0.000 0.204 321 L C 2.263 178.899 176.870 -0.389 0.000 1.080 321 L CA 0.868 55.455 54.840 -0.422 0.000 0.759 321 L CB -0.203 41.476 42.059 -0.634 0.000 0.914 321 L HN 0.354 nan 8.230 nan 0.000 0.439 322 A N 0.048 122.606 122.820 -0.436 0.000 2.238 322 A HA 0.197 4.521 4.320 0.007 0.000 0.210 322 A C 2.267 179.724 177.584 -0.212 0.000 1.179 322 A CA 0.632 52.394 52.037 -0.458 0.000 0.827 322 A CB -0.747 17.768 19.000 -0.809 0.000 0.856 322 A HN 0.370 nan 8.150 nan 0.000 0.488 323 G N 0.489 109.203 108.800 -0.143 0.000 2.550 323 G HA2 -0.281 3.682 3.960 0.007 0.000 0.222 323 G HA3 -0.281 3.682 3.960 0.007 0.000 0.222 323 G C 1.607 176.487 174.900 -0.034 0.000 1.113 323 G CA 1.499 46.564 45.100 -0.058 0.000 0.748 323 G HN 0.529 nan 8.290 nan 0.000 0.585 324 S N -0.365 115.294 115.700 -0.069 0.000 2.453 324 S HA -0.017 4.457 4.470 0.007 0.000 0.231 324 S C 2.062 176.700 174.600 0.064 0.000 1.005 324 S CA 1.173 59.362 58.200 -0.019 0.000 0.949 324 S CB 0.153 63.281 63.200 -0.121 0.000 0.774 324 S HN 0.690 nan 8.310 nan 0.000 0.510 325 V N -0.763 119.177 119.914 0.042 0.000 3.477 325 V HA 0.545 4.669 4.120 0.007 0.000 0.297 325 V C 0.170 176.373 176.094 0.183 0.000 1.433 325 V CA -0.605 61.763 62.300 0.112 0.000 1.052 325 V CB -0.656 31.217 31.823 0.083 0.000 0.895 325 V HN 0.509 nan 8.190 nan 0.000 0.438 326 I N -2.693 117.952 120.570 0.125 0.000 3.145 326 I HA 0.724 4.898 4.170 0.007 0.000 0.313 326 I C -0.498 175.660 176.117 0.069 0.000 1.122 326 I CA -0.846 60.529 61.300 0.124 0.000 0.987 326 I CB 2.357 40.414 38.000 0.095 0.000 1.236 326 I HN -0.149 nan 8.210 nan 0.000 0.453 327 E N 3.126 123.355 120.200 0.048 0.000 2.390 327 E HA 0.272 4.626 4.350 0.007 0.000 0.261 327 E C -2.173 174.446 176.600 0.033 0.000 1.076 327 E CA -1.907 54.515 56.400 0.037 0.000 0.905 327 E CB 0.440 30.155 29.700 0.025 0.000 0.984 327 E HN 0.420 nan 8.360 nan 0.000 0.427 328 P HA 0.056 nan 4.420 nan 0.000 0.220 328 P C 0.712 178.026 177.300 0.023 0.000 1.778 328 P CA 0.133 63.257 63.100 0.040 0.000 0.912 328 P CB -0.486 31.244 31.700 0.049 0.000 1.861 329 T N -2.139 112.422 114.554 0.011 0.000 2.737 329 T HA -0.087 4.267 4.350 0.007 0.000 0.265 329 T C 0.843 175.519 174.700 -0.041 0.000 1.038 329 T CA 0.270 62.365 62.100 -0.007 0.000 1.144 329 T CB -0.735 68.133 68.868 -0.001 0.000 0.866 329 T HN 0.066 nan 8.240 nan 0.000 0.434 330 L N 3.446 124.640 121.223 -0.049 0.000 2.455 330 L HA 0.412 4.756 4.340 0.007 0.000 0.272 330 L C 0.307 177.064 176.870 -0.188 0.000 1.174 330 L CA 0.459 55.210 54.840 -0.148 0.000 0.869 330 L CB 0.537 42.506 42.059 -0.150 0.000 1.130 330 L HN 0.605 nan 8.230 nan 0.000 0.474 331 T N 1.105 115.475 114.554 -0.305 0.000 2.916 331 T HA 0.663 5.017 4.350 0.007 0.000 0.292 331 T C -0.653 173.784 174.700 -0.438 0.000 1.064 331 T CA -0.646 61.324 62.100 -0.216 0.000 1.011 331 T CB 1.089 69.916 68.868 -0.069 0.000 1.152 331 T HN 0.195 nan 8.240 nan 0.000 0.510 332 F N 0.909 120.856 119.950 -0.005 0.000 2.427 332 F HA 0.507 5.038 4.527 0.006 0.000 0.348 332 F C 0.448 176.191 175.800 -0.095 0.000 1.125 332 F CA -0.933 57.042 58.000 -0.042 0.000 0.989 332 F CB 1.775 40.763 39.000 -0.021 0.000 1.165 332 F HN 0.770 nan 8.300 nan 0.000 0.442 333 E N 2.683 122.904 120.200 0.036 0.000 2.101 333 E HA 0.466 4.820 4.350 0.007 0.000 0.260 333 E C 0.566 177.137 176.600 -0.048 0.000 0.897 333 E CA -0.453 55.937 56.400 -0.018 0.000 0.744 333 E CB 0.984 30.665 29.700 -0.032 0.000 1.140 333 E HN 0.938 nan 8.360 nan 0.000 0.419 334 G N 3.408 112.154 108.800 -0.090 0.000 2.314 334 G HA2 -0.241 3.723 3.960 0.007 0.000 0.292 334 G HA3 -0.241 3.723 3.960 0.007 0.000 0.292 334 G C 0.869 175.685 174.900 -0.140 0.000 1.059 334 G CA 0.296 45.330 45.100 -0.110 0.000 0.982 334 G HN 1.475 nan 8.290 nan 0.000 0.505 335 G N -1.579 107.050 108.800 -0.284 0.000 2.155 335 G HA2 -0.295 3.669 3.960 0.007 0.000 0.257 335 G HA3 -0.295 3.669 3.960 0.007 0.000 0.257 335 G C 0.044 174.977 174.900 0.054 0.000 0.983 335 G CA 0.671 45.613 45.100 -0.264 0.000 0.676 335 G HN 1.270 nan 8.290 nan 0.000 0.528 336 N N 0.180 118.918 118.700 0.064 0.000 2.314 336 N HA 0.642 5.386 4.740 0.007 0.000 0.294 336 N C 0.113 175.669 175.510 0.078 0.000 1.029 336 N CA -0.187 52.911 53.050 0.079 0.000 0.845 336 N CB 1.586 40.066 38.487 -0.012 0.000 1.321 336 N HN 0.487 nan 8.380 nan 0.000 0.481 337 A N 1.785 124.628 122.820 0.038 0.000 2.401 337 A HA 0.391 4.715 4.320 0.007 0.000 0.259 337 A C -0.187 177.237 177.584 -0.266 0.000 1.103 337 A CA -0.216 51.640 52.037 -0.302 0.000 0.789 337 A CB 0.314 19.129 19.000 -0.308 0.000 1.035 337 A HN 0.450 nan 8.150 nan 0.000 0.491 338 V N 4.570 124.278 119.914 -0.343 0.000 2.384 338 V HA 0.240 4.363 4.120 0.007 0.000 0.287 338 V C 0.009 175.945 176.094 -0.263 0.000 1.020 338 V CA -0.261 61.895 62.300 -0.239 0.000 0.850 338 V CB 1.161 32.881 31.823 -0.171 0.000 0.987 338 V HN 0.742 nan 8.190 nan 0.000 0.436 339 I N 8.299 128.711 120.570 -0.264 0.000 2.556 339 I HA 0.196 4.370 4.170 0.007 0.000 0.284 339 I C -1.632 174.366 176.117 -0.198 0.000 1.114 339 I CA -1.138 59.967 61.300 -0.325 0.000 1.418 339 I CB 0.606 38.328 38.000 -0.463 0.000 1.394 339 I HN 0.466 nan 8.210 nan 0.000 0.552 340 P HA 0.033 nan 4.420 nan 0.000 0.272 340 P C -0.773 176.509 177.300 -0.029 0.000 1.223 340 P CA -0.256 62.807 63.100 -0.062 0.000 0.784 340 P CB 0.580 32.267 31.700 -0.023 0.000 0.923 341 D N 1.355 121.744 120.400 -0.019 0.000 2.767 341 D HA 0.323 4.967 4.640 0.007 0.000 0.241 341 D C -0.745 175.563 176.300 0.012 0.000 1.187 341 D CA -0.095 53.904 54.000 -0.002 0.000 0.999 341 D CB -0.894 39.899 40.800 -0.011 0.000 1.042 341 D HN 0.178 nan 8.370 nan 0.000 0.510 342 L N 2.065 123.305 121.223 0.030 0.000 2.381 342 L HA 0.573 4.917 4.340 0.007 0.000 0.268 342 L C -2.127 174.764 176.870 0.035 0.000 0.997 342 L CA -2.419 52.437 54.840 0.027 0.000 0.818 342 L CB 2.231 44.303 42.059 0.022 0.000 1.310 342 L HN 0.105 nan 8.230 nan 0.000 0.416 343 P HA 0.188 nan 4.420 nan 0.000 0.269 343 P C 0.415 177.705 177.300 -0.016 0.000 1.209 343 P CA 0.598 63.704 63.100 0.011 0.000 0.776 343 P CB 0.833 32.534 31.700 0.002 0.000 0.876 344 G N 0.985 109.767 108.800 -0.030 0.000 2.512 344 G HA2 -0.265 3.699 3.960 0.007 0.000 0.254 344 G HA3 -0.265 3.699 3.960 0.007 0.000 0.254 344 G C 0.733 175.510 174.900 -0.204 0.000 1.199 344 G CA -0.027 45.021 45.100 -0.087 0.000 0.941 344 G HN 0.368 nan 8.290 nan 0.000 0.569 345 V N 1.329 121.108 119.914 -0.224 0.000 2.878 345 V HA 0.422 4.546 4.120 0.007 0.000 0.250 345 V C 2.409 178.492 176.094 -0.019 0.000 1.075 345 V CA 2.449 64.555 62.300 -0.325 0.000 1.096 345 V CB -0.082 31.616 31.823 -0.209 0.000 0.724 345 V HN 2.764 nan 8.190 nan 0.000 0.467 346 G N 0.374 109.167 108.800 -0.011 0.000 2.144 346 G HA2 -0.189 3.775 3.960 0.007 0.000 0.218 346 G HA3 -0.189 3.775 3.960 0.007 0.000 0.218 346 G C 0.089 174.985 174.900 -0.007 0.000 0.988 346 G CA -0.161 44.955 45.100 0.026 0.000 0.659 346 G HN 0.419 nan 8.290 nan 0.000 0.522 347 I N 1.316 121.861 120.570 -0.043 0.000 2.379 347 I HA 0.365 4.539 4.170 0.007 0.000 0.290 347 I C 0.328 176.322 176.117 -0.204 0.000 1.063 347 I CA 0.055 61.279 61.300 -0.127 0.000 1.351 347 I CB 0.562 38.451 38.000 -0.186 0.000 1.410 347 I HN 0.011 nan 8.210 nan 0.000 0.505 348 I N 6.121 126.567 120.570 -0.206 0.000 2.418 348 I HA 0.271 4.445 4.170 0.007 0.000 0.287 348 I C -0.398 175.624 176.117 -0.159 0.000 1.008 348 I CA -0.341 60.846 61.300 -0.187 0.000 1.104 348 I CB 1.055 39.031 38.000 -0.040 0.000 1.264 348 I HN 0.444 nan 8.210 nan 0.000 0.438 349 W N 4.959 126.187 121.300 -0.120 0.000 2.126 349 W HA 0.422 5.086 4.660 0.006 0.000 0.346 349 W C 0.518 177.009 176.519 -0.046 0.000 1.279 349 W CA -0.771 56.506 57.345 -0.113 0.000 1.259 349 W CB 0.423 29.780 29.460 -0.172 0.000 1.133 349 W HN 0.252 nan 8.180 nan 0.000 0.592 350 R N 2.077 122.732 120.500 0.258 0.000 3.050 350 R HA 0.047 4.391 4.340 0.007 0.000 0.275 350 R C 1.110 177.463 176.300 0.088 0.000 1.373 350 R CA -0.346 55.836 56.100 0.137 0.000 1.612 350 R CB 0.451 30.815 30.300 0.107 0.000 1.218 350 R HN 0.465 nan 8.270 nan 0.000 0.621 351 E N 2.422 122.672 120.200 0.083 0.000 2.086 351 E HA -0.309 4.045 4.350 0.007 0.000 0.205 351 E C 1.654 178.244 176.600 -0.016 0.000 1.027 351 E CA 1.642 58.054 56.400 0.020 0.000 0.830 351 E CB 0.121 29.841 29.700 0.034 0.000 0.751 351 E HN 0.418 nan 8.360 nan 0.000 0.456 352 K N 1.190 121.586 120.400 -0.007 0.000 2.103 352 K HA -0.175 4.149 4.320 0.007 0.000 0.207 352 K C 1.560 178.116 176.600 -0.074 0.000 1.048 352 K CA 1.286 57.551 56.287 -0.036 0.000 0.930 352 K CB -0.377 32.109 32.500 -0.023 0.000 0.716 352 K HN 0.104 nan 8.250 nan 0.000 0.444 353 E N 1.101 121.275 120.200 -0.043 0.000 2.107 353 E HA 0.011 4.365 4.350 0.007 0.000 0.191 353 E C 2.413 178.932 176.600 -0.135 0.000 0.982 353 E CA 0.599 56.956 56.400 -0.072 0.000 0.809 353 E CB -0.397 29.355 29.700 0.087 0.000 0.756 353 E HN 0.371 nan 8.360 nan 0.000 0.459 354 I N 1.309 121.849 120.570 -0.049 0.000 2.151 354 I HA -0.242 3.932 4.170 0.007 0.000 0.243 354 I C 2.461 178.506 176.117 -0.120 0.000 1.080 354 I CA 1.553 62.819 61.300 -0.056 0.000 1.339 354 I CB -0.611 37.311 38.000 -0.130 0.000 1.039 354 I HN 0.146 nan 8.210 nan 0.000 0.409 355 G N 0.466 109.180 108.800 -0.144 0.000 2.485 355 G HA2 -0.256 3.708 3.960 0.007 0.000 0.221 355 G HA3 -0.256 3.708 3.960 0.007 0.000 0.221 355 G C 1.708 176.476 174.900 -0.220 0.000 1.115 355 G CA 0.652 45.664 45.100 -0.147 0.000 0.751 355 G HN 0.366 nan 8.290 nan 0.000 0.567 356 K N -0.860 119.296 120.400 -0.406 0.000 2.155 356 K HA -0.012 4.312 4.320 0.007 0.000 0.203 356 K C 1.347 177.567 176.600 -0.633 0.000 1.052 356 K CA 0.886 56.788 56.287 -0.642 0.000 0.948 356 K CB -0.049 31.790 32.500 -1.102 0.000 0.728 356 K HN 0.525 nan 8.250 nan 0.000 0.448 357 Y N -0.048 120.223 120.300 -0.049 0.000 2.481 357 Y HA 0.188 4.742 4.550 0.007 0.000 0.247 357 Y C 0.116 175.986 175.900 -0.049 0.000 1.151 357 Y CA -1.081 56.991 58.100 -0.048 0.000 1.238 357 Y CB 0.018 38.445 38.460 -0.054 0.000 1.179 357 Y HN -0.123 nan 8.280 nan 0.000 0.524 358 L N 0.920 122.157 121.223 0.022 0.000 2.578 358 L HA -0.029 4.315 4.340 0.007 0.000 0.279 358 L C 0.500 177.378 176.870 0.013 0.000 1.227 358 L CA 0.106 54.946 54.840 0.000 0.000 0.900 358 L CB -0.024 42.013 42.059 -0.036 0.000 1.144 358 L HN -0.035 nan 8.230 nan 0.000 0.496 359 V N 0.000 119.923 119.914 0.015 0.000 2.409 359 V HA 0.000 4.124 4.120 0.007 0.000 0.244 359 V CA 0.000 62.309 62.300 0.016 0.000 1.235 359 V CB 0.000 31.834 31.823 0.019 0.000 1.184 359 V HN 0.000 nan 8.190 nan 0.000 0.556