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 2hmf_1_A DATA FIRST_RESID 2 DATA SEQUENCE TTVMKFGGTS VGSGERIRHV AKIVTKRKKE DDDVVVVVSA MSEVTNALVE DATA SEQUENCE ISQQALDVRD IAKVGDFIKF IREKHYKAIE EAIKSEEIKE EVKKIIDSRI DATA SEQUENCE EELEKVLIGV AYLGELTPKS RDYILSFGER LSSPILSGAI RDLGEKSIAL DATA SEQUENCE EGGEAGIITD NNFGSARVKR LEVKERLLPL LKEGIIPVVT GFIGTTEEGY DATA SEQUENCE ITTLGRGGSD YSAALIGYGL DADIIEIWTD VSGVYTTDPR LVPTARRIPK DATA SEQUENCE LSYIEAMELA YFGAKVLHPR TIEPAMEKGI PILVKNTFEP ESEGTLITND DATA SEQUENCE MEMSDSIVKA ISTIKNVALI NIFGAGMVGV SGTAARIFKA LGEEEVNVIL DATA SEQUENCE ISQGSSETNI SLVVSEEDVD KALKALKREF GDXXXXXFLN NNLIRDVSVD DATA SEQUENCE KDVCVISVVG AGMRGAKGIA GKIFTAVSES GANIKMIAQG SSEVNISFVI DATA SEQUENCE DEKDLLNCVR KLHEKFIEK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.718 174.700 0.030 0.000 1.109 2 T CA 0.000 62.112 62.100 0.020 0.000 1.349 2 T CB 0.000 68.875 68.868 0.012 0.000 0.612 3 T N 2.234 116.811 114.554 0.038 0.000 2.840 3 T HA 0.627 4.978 4.350 0.002 0.000 0.287 3 T C -0.423 174.312 174.700 0.058 0.000 0.991 3 T CA -0.655 61.478 62.100 0.054 0.000 0.964 3 T CB 1.753 70.660 68.868 0.066 0.000 0.954 3 T HN 0.597 nan 8.240 nan 0.000 0.438 4 V N 5.800 125.751 119.914 0.061 0.000 2.394 4 V HA 0.711 4.832 4.120 0.002 0.000 0.282 4 V C -0.856 175.282 176.094 0.074 0.000 1.031 4 V CA -0.727 61.611 62.300 0.063 0.000 0.881 4 V CB 0.956 32.811 31.823 0.053 0.000 0.982 4 V HN 0.908 nan 8.190 nan 0.000 0.451 5 M N 7.778 127.424 119.600 0.076 0.000 2.190 5 M HA 0.542 5.023 4.480 0.002 0.000 0.312 5 M C -0.675 175.587 176.300 -0.063 0.000 0.990 5 M CA -0.460 54.858 55.300 0.030 0.000 0.927 5 M CB 1.851 34.484 32.600 0.056 0.000 1.571 5 M HN 0.512 nan 8.290 nan 0.000 0.427 6 K N 3.667 123.972 120.400 -0.159 0.000 2.244 6 K HA 0.592 4.913 4.320 0.002 0.000 0.260 6 K C -1.998 174.406 176.600 -0.327 0.000 0.951 6 K CA -0.211 56.013 56.287 -0.105 0.000 0.826 6 K CB 1.110 33.616 32.500 0.011 0.000 1.108 6 K HN 0.576 nan 8.250 nan 0.000 0.433 7 F N 1.287 121.315 119.950 0.130 0.000 2.467 7 F HA 0.373 4.902 4.527 0.002 0.000 0.336 7 F C 1.070 176.937 175.800 0.111 0.000 1.123 7 F CA -0.598 57.477 58.000 0.125 0.000 0.964 7 F CB 1.906 40.923 39.000 0.029 0.000 1.136 7 F HN 0.638 nan 8.300 nan 0.000 0.447 8 G N 0.993 109.957 108.800 0.272 0.000 2.588 8 G HA2 0.382 4.343 3.960 0.002 0.000 0.278 8 G HA3 0.382 4.343 3.960 0.002 0.000 0.278 8 G C 1.032 176.040 174.900 0.180 0.000 1.307 8 G CA -0.203 45.013 45.100 0.192 0.000 1.016 8 G HN 0.855 nan 8.290 nan 0.000 0.503 9 G N -0.720 108.159 108.800 0.132 0.000 2.514 9 G HA2 -0.248 3.713 3.960 0.002 0.000 0.217 9 G HA3 -0.248 3.713 3.960 0.002 0.000 0.217 9 G C 1.965 176.950 174.900 0.141 0.000 1.198 9 G CA 2.558 47.726 45.100 0.113 0.000 0.780 9 G HN 0.969 nan 8.290 nan 0.000 0.565 10 T N -1.226 113.433 114.554 0.175 0.000 2.788 10 T HA -0.079 4.272 4.350 0.002 0.000 0.268 10 T C 2.457 177.373 174.700 0.360 0.000 1.044 10 T CA 1.815 64.056 62.100 0.236 0.000 1.139 10 T CB -0.486 68.515 68.868 0.221 0.000 0.867 10 T HN 0.151 nan 8.240 nan 0.000 0.454 11 S N 1.332 117.225 115.700 0.322 0.000 2.419 11 S HA -0.033 4.439 4.470 0.002 0.000 0.235 11 S C 1.643 176.296 174.600 0.088 0.000 1.019 11 S CA 1.299 59.610 58.200 0.186 0.000 0.982 11 S CB -0.455 62.906 63.200 0.269 0.000 0.789 11 S HN 0.763 nan 8.310 nan 0.000 0.490 12 V N -1.500 118.481 119.914 0.112 0.000 2.915 12 V HA 0.599 4.720 4.120 0.002 0.000 0.364 12 V C 1.229 177.354 176.094 0.050 0.000 1.354 12 V CA 0.049 62.377 62.300 0.046 0.000 1.213 12 V CB -0.026 31.813 31.823 0.026 0.000 1.268 12 V HN 0.235 nan 8.190 nan 0.000 0.557 13 G N 1.176 110.034 108.800 0.095 0.000 2.679 13 G HA2 0.267 4.228 3.960 0.002 0.000 0.212 13 G HA3 0.267 4.228 3.960 0.002 0.000 0.212 13 G C 0.536 175.448 174.900 0.020 0.000 1.137 13 G CA 0.938 46.079 45.100 0.068 0.000 0.787 13 G HN 1.002 nan 8.290 nan 0.000 0.534 14 S N -3.277 112.433 115.700 0.015 0.000 2.615 14 S HA 0.558 5.029 4.470 0.002 0.000 0.269 14 S C 1.130 175.717 174.600 -0.021 0.000 1.161 14 S CA 0.198 58.389 58.200 -0.015 0.000 0.817 14 S CB 1.102 64.305 63.200 0.005 0.000 1.131 14 S HN 0.317 nan 8.310 nan 0.000 0.467 15 G N 0.518 109.299 108.800 -0.031 0.000 2.440 15 G HA2 -0.199 3.762 3.960 0.002 0.000 0.218 15 G HA3 -0.199 3.762 3.960 0.002 0.000 0.218 15 G C 1.018 175.906 174.900 -0.020 0.000 1.154 15 G CA 1.185 46.269 45.100 -0.028 0.000 0.767 15 G HN 0.898 nan 8.290 nan 0.000 0.552 16 E N 0.262 120.457 120.200 -0.008 0.000 2.058 16 E HA -0.180 4.171 4.350 0.002 0.000 0.194 16 E C 2.694 179.299 176.600 0.009 0.000 0.997 16 E CA 0.904 57.305 56.400 0.001 0.000 0.801 16 E CB -0.083 29.622 29.700 0.007 0.000 0.746 16 E HN 0.395 nan 8.360 nan 0.000 0.450 17 R N 0.005 120.514 120.500 0.014 0.000 2.081 17 R HA -0.096 4.245 4.340 0.002 0.000 0.235 17 R C 2.517 178.797 176.300 -0.034 0.000 1.131 17 R CA 1.388 57.493 56.100 0.008 0.000 0.960 17 R CB -0.274 30.057 30.300 0.053 0.000 0.856 17 R HN 0.279 nan 8.270 nan 0.000 0.436 18 I N 0.245 120.784 120.570 -0.053 0.000 2.163 18 I HA -0.314 3.858 4.170 0.002 0.000 0.243 18 I C 2.729 178.768 176.117 -0.131 0.000 1.085 18 I CA 1.308 62.545 61.300 -0.106 0.000 1.347 18 I CB -0.248 37.708 38.000 -0.073 0.000 1.044 18 I HN 0.141 nan 8.210 nan 0.000 0.408 19 R N 0.125 120.578 120.500 -0.078 0.000 2.081 19 R HA -0.271 4.070 4.340 0.002 0.000 0.235 19 R C 2.499 178.743 176.300 -0.094 0.000 1.131 19 R CA 2.010 58.063 56.100 -0.079 0.000 0.960 19 R CB -0.394 29.882 30.300 -0.040 0.000 0.856 19 R HN 0.426 nan 8.270 nan 0.000 0.436 20 H N -0.324 118.650 119.070 -0.159 0.000 2.353 20 H HA -0.077 4.480 4.556 0.002 0.000 0.300 20 H C 1.807 176.966 175.328 -0.281 0.000 1.090 20 H CA 2.103 58.043 56.048 -0.179 0.000 1.327 20 H CB -0.138 29.532 29.762 -0.154 0.000 1.383 20 H HN 0.043 nan 8.280 nan 0.000 0.508 21 V N 0.763 120.440 119.914 -0.395 0.000 2.343 21 V HA -0.270 3.852 4.120 0.002 0.000 0.247 21 V C 2.741 178.432 176.094 -0.673 0.000 1.051 21 V CA 1.692 63.558 62.300 -0.722 0.000 1.036 21 V CB -1.253 30.055 31.823 -0.857 0.000 0.654 21 V HN 0.729 nan 8.190 nan 0.000 0.451 22 A N -0.438 122.121 122.820 -0.434 0.000 1.940 22 A HA -0.266 4.055 4.320 0.002 0.000 0.219 22 A C 2.276 179.695 177.584 -0.274 0.000 1.176 22 A CA 2.089 53.938 52.037 -0.313 0.000 0.631 22 A CB -0.442 18.435 19.000 -0.204 0.000 0.814 22 A HN 0.552 nan 8.150 nan 0.000 0.446 23 K N -0.443 119.790 120.400 -0.278 0.000 2.057 23 K HA -0.058 4.263 4.320 0.002 0.000 0.207 23 K C 1.776 178.209 176.600 -0.278 0.000 1.049 23 K CA 1.544 57.688 56.287 -0.238 0.000 0.931 23 K CB -0.373 32.000 32.500 -0.212 0.000 0.714 23 K HN 0.550 nan 8.250 nan 0.000 0.440 24 I N 0.532 120.849 120.570 -0.420 0.000 2.163 24 I HA -0.309 3.862 4.170 0.002 0.000 0.243 24 I C 2.175 178.125 176.117 -0.278 0.000 1.085 24 I CA 1.179 62.230 61.300 -0.415 0.000 1.347 24 I CB -0.356 37.244 38.000 -0.666 0.000 1.044 24 I HN -0.045 nan 8.210 nan 0.000 0.408 25 V N -0.062 119.684 119.914 -0.281 0.000 2.343 25 V HA -0.312 3.809 4.120 0.002 0.000 0.247 25 V C 2.500 178.533 176.094 -0.102 0.000 1.051 25 V CA 2.504 64.716 62.300 -0.147 0.000 1.036 25 V CB -0.809 30.920 31.823 -0.157 0.000 0.654 25 V HN 0.478 nan 8.190 nan 0.000 0.451 26 T N -1.193 113.287 114.554 -0.124 0.000 2.915 26 T HA -0.182 4.169 4.350 0.002 0.000 0.269 26 T C 1.967 176.629 174.700 -0.063 0.000 1.071 26 T CA 1.530 63.579 62.100 -0.085 0.000 1.132 26 T CB -0.136 68.678 68.868 -0.091 0.000 0.878 26 T HN 0.461 nan 8.240 nan 0.000 0.479 27 K N 0.025 120.380 120.400 -0.074 0.000 2.103 27 K HA 0.002 4.323 4.320 0.002 0.000 0.204 27 K C 2.455 179.045 176.600 -0.017 0.000 1.052 27 K CA 0.557 56.817 56.287 -0.045 0.000 0.945 27 K CB 0.016 32.485 32.500 -0.052 0.000 0.722 27 K HN 0.029 nan 8.250 nan 0.000 0.443 28 R N 1.320 121.812 120.500 -0.014 0.000 2.096 28 R HA -0.110 4.231 4.340 0.002 0.000 0.235 28 R C 2.049 178.357 176.300 0.012 0.000 1.127 28 R CA 1.238 57.349 56.100 0.018 0.000 0.968 28 R CB -0.361 29.961 30.300 0.037 0.000 0.861 28 R HN 0.074 nan 8.270 nan 0.000 0.440 29 K N 1.233 121.631 120.400 -0.003 0.000 2.218 29 K HA -0.146 4.175 4.320 0.002 0.000 0.205 29 K C 1.591 178.191 176.600 -0.001 0.000 1.046 29 K CA 1.603 57.888 56.287 -0.004 0.000 0.933 29 K CB 0.022 32.512 32.500 -0.015 0.000 0.728 29 K HN 0.026 nan 8.250 nan 0.000 0.454 30 K N -0.279 120.120 120.400 -0.002 0.000 2.305 30 K HA -0.001 4.320 4.320 0.002 0.000 0.199 30 K C 1.646 178.250 176.600 0.007 0.000 1.047 30 K CA 1.124 57.411 56.287 0.000 0.000 0.976 30 K CB 0.208 32.706 32.500 -0.003 0.000 0.765 30 K HN 0.260 nan 8.250 nan 0.000 0.474 31 E N 0.103 120.311 120.200 0.013 0.000 2.102 31 E HA -0.039 4.313 4.350 0.002 0.000 0.190 31 E C -0.012 176.599 176.600 0.019 0.000 0.971 31 E CA 0.516 56.928 56.400 0.019 0.000 0.821 31 E CB 0.368 30.086 29.700 0.029 0.000 0.777 31 E HN 0.050 nan 8.360 nan 0.000 0.460 32 D N -0.360 120.052 120.400 0.021 0.000 2.757 32 D HA 0.048 4.690 4.640 0.002 0.000 0.249 32 D C -0.653 175.656 176.300 0.015 0.000 1.168 32 D CA -0.378 53.634 54.000 0.020 0.000 0.870 32 D CB 1.839 42.655 40.800 0.027 0.000 1.411 32 D HN -0.225 nan 8.370 nan 0.000 0.525 33 D N 1.537 121.943 120.400 0.011 0.000 2.317 33 D HA -0.042 4.599 4.640 0.002 0.000 0.211 33 D C -0.501 175.804 176.300 0.008 0.000 0.966 33 D CA 0.568 54.572 54.000 0.007 0.000 0.876 33 D CB 0.377 41.179 40.800 0.004 0.000 0.927 33 D HN 0.273 nan 8.370 nan 0.000 0.519 34 D N 0.728 121.135 120.400 0.012 0.000 2.479 34 D HA 0.148 4.789 4.640 0.002 0.000 0.218 34 D C -0.720 175.592 176.300 0.021 0.000 1.131 34 D CA -0.154 53.854 54.000 0.013 0.000 0.916 34 D CB 1.376 42.183 40.800 0.011 0.000 1.022 34 D HN -0.111 nan 8.370 nan 0.000 0.515 35 V N 2.269 122.196 119.914 0.021 0.000 2.487 35 V HA 0.349 4.470 4.120 0.002 0.000 0.298 35 V C 0.176 176.290 176.094 0.032 0.000 1.028 35 V CA -0.819 61.500 62.300 0.031 0.000 0.860 35 V CB 2.250 34.091 31.823 0.030 0.000 0.991 35 V HN 0.140 nan 8.190 nan 0.000 0.427 36 V N 5.465 125.405 119.914 0.043 0.000 2.495 36 V HA 0.531 4.652 4.120 0.002 0.000 0.298 36 V C -0.140 175.995 176.094 0.069 0.000 1.031 36 V CA -0.686 61.641 62.300 0.045 0.000 0.871 36 V CB 1.958 33.803 31.823 0.037 0.000 0.988 36 V HN 0.592 nan 8.190 nan 0.000 0.432 37 V N 5.039 124.999 119.914 0.077 0.000 2.532 37 V HA 0.532 4.654 4.120 0.002 0.000 0.295 37 V C -0.138 176.024 176.094 0.113 0.000 1.041 37 V CA -0.538 61.839 62.300 0.127 0.000 0.926 37 V CB 1.921 33.825 31.823 0.135 0.000 0.992 37 V HN 0.617 nan 8.190 nan 0.000 0.457 38 V N 4.812 124.810 119.914 0.139 0.000 2.495 38 V HA 0.578 4.700 4.120 0.002 0.000 0.298 38 V C -0.421 175.778 176.094 0.175 0.000 1.031 38 V CA -0.583 61.789 62.300 0.120 0.000 0.871 38 V CB 1.937 33.811 31.823 0.085 0.000 0.988 38 V HN 0.606 nan 8.190 nan 0.000 0.432 39 V N 4.394 124.400 119.914 0.153 0.000 2.638 39 V HA 0.606 4.727 4.120 0.002 0.000 0.306 39 V C 0.205 176.386 176.094 0.145 0.000 1.052 39 V CA -0.005 62.399 62.300 0.173 0.000 0.885 39 V CB 2.657 34.562 31.823 0.137 0.000 0.999 39 V HN 0.955 nan 8.190 nan 0.000 0.424 40 S N 3.915 119.702 115.700 0.146 0.000 2.655 40 S HA 0.713 5.184 4.470 0.002 0.000 0.265 40 S C 0.385 175.053 174.600 0.113 0.000 1.240 40 S CA 0.074 58.342 58.200 0.113 0.000 0.986 40 S CB 1.370 64.620 63.200 0.083 0.000 0.985 40 S HN 1.319 nan 8.310 nan 0.000 0.562 41 A N 1.438 124.318 122.820 0.100 0.000 2.466 41 A HA 0.286 4.607 4.320 0.002 0.000 0.238 41 A C 0.456 178.102 177.584 0.103 0.000 1.074 41 A CA -0.071 52.039 52.037 0.122 0.000 0.774 41 A CB -0.342 18.733 19.000 0.125 0.000 1.015 41 A HN 0.793 nan 8.150 nan 0.000 0.498 42 M N 1.603 121.269 119.600 0.109 0.000 2.245 42 M HA -0.017 4.464 4.480 0.002 0.000 0.335 42 M C 1.134 177.470 176.300 0.061 0.000 1.155 42 M CA 0.450 55.782 55.300 0.053 0.000 1.055 42 M CB 0.098 32.668 32.600 -0.050 0.000 1.670 42 M HN 0.848 nan 8.290 nan 0.000 0.447 43 S N 1.948 117.685 115.700 0.061 0.000 3.332 43 S HA -0.135 4.336 4.470 0.002 0.000 0.395 43 S C 0.866 175.515 174.600 0.082 0.000 1.180 43 S CA 0.829 59.071 58.200 0.070 0.000 0.985 43 S CB -0.127 63.114 63.200 0.068 0.000 0.694 43 S HN 0.828 nan 8.310 nan 0.000 0.502 44 E N 1.298 121.552 120.200 0.090 0.000 4.071 44 E HA -0.203 4.148 4.350 0.002 0.000 0.355 44 E C 0.749 177.456 176.600 0.180 0.000 0.653 44 E CA 1.472 57.943 56.400 0.119 0.000 1.298 44 E CB -1.927 27.850 29.700 0.129 0.000 1.712 44 E HN 0.819 nan 8.360 nan 0.000 0.416 45 V N -2.185 117.838 119.914 0.181 0.000 2.591 45 V HA -0.087 4.035 4.120 0.002 0.000 0.249 45 V C 1.884 178.125 176.094 0.245 0.000 1.053 45 V CA 2.231 64.686 62.300 0.258 0.000 1.068 45 V CB -0.494 31.475 31.823 0.243 0.000 0.689 45 V HN 0.264 nan 8.190 nan 0.000 0.462 46 T N 1.722 116.371 114.554 0.158 0.000 2.684 46 T HA -0.165 4.186 4.350 0.002 0.000 0.267 46 T C 1.841 176.617 174.700 0.127 0.000 1.036 46 T CA 2.136 64.312 62.100 0.128 0.000 1.148 46 T CB -0.589 68.277 68.868 -0.003 0.000 0.863 46 T HN 0.565 nan 8.240 nan 0.000 0.436 47 N N 1.562 120.323 118.700 0.102 0.000 2.104 47 N HA -0.048 4.693 4.740 0.002 0.000 0.190 47 N C 2.076 177.650 175.510 0.105 0.000 1.024 47 N CA 1.391 54.492 53.050 0.086 0.000 0.853 47 N CB -0.602 37.924 38.487 0.065 0.000 1.008 47 N HN 0.464 nan 8.380 nan 0.000 0.424 48 A N 0.783 123.713 122.820 0.183 0.000 1.930 48 A HA -0.005 4.316 4.320 0.002 0.000 0.217 48 A C 2.388 180.094 177.584 0.204 0.000 1.175 48 A CA 0.779 52.967 52.037 0.252 0.000 0.627 48 A CB -0.579 18.712 19.000 0.484 0.000 0.815 48 A HN 0.204 nan 8.150 nan 0.000 0.443 49 L N -0.751 120.612 121.223 0.233 0.000 2.072 49 L HA -0.128 4.213 4.340 0.002 0.000 0.205 49 L C 2.523 179.391 176.870 -0.003 0.000 1.079 49 L CA 0.780 55.681 54.840 0.103 0.000 0.752 49 L CB -0.493 41.707 42.059 0.234 0.000 0.906 49 L HN 0.229 nan 8.230 nan 0.000 0.436 50 V N 0.873 120.818 119.914 0.052 0.000 2.231 50 V HA -0.348 3.774 4.120 0.002 0.000 0.248 50 V C 2.541 178.619 176.094 -0.025 0.000 1.054 50 V CA 2.454 64.773 62.300 0.031 0.000 1.015 50 V CB -0.705 31.149 31.823 0.051 0.000 0.638 50 V HN 0.685 nan 8.190 nan 0.000 0.444 51 E N -0.094 120.084 120.200 -0.037 0.000 2.152 51 E HA -0.215 4.136 4.350 0.002 0.000 0.192 51 E C 2.085 178.607 176.600 -0.129 0.000 0.983 51 E CA 1.456 57.819 56.400 -0.061 0.000 0.818 51 E CB -0.387 29.290 29.700 -0.039 0.000 0.758 51 E HN 0.481 nan 8.360 nan 0.000 0.467 52 I N 1.357 121.776 120.570 -0.252 0.000 2.439 52 I HA -0.163 4.008 4.170 0.002 0.000 0.251 52 I C 1.930 177.885 176.117 -0.270 0.000 1.139 52 I CA 0.935 61.999 61.300 -0.393 0.000 1.438 52 I CB -0.173 37.221 38.000 -1.009 0.000 1.085 52 I HN 0.052 nan 8.210 nan 0.000 0.427 53 S N -0.061 115.521 115.700 -0.196 0.000 2.370 53 S HA -0.261 4.211 4.470 0.002 0.000 0.226 53 S C 1.918 176.473 174.600 -0.073 0.000 1.033 53 S CA 1.506 59.642 58.200 -0.107 0.000 1.011 53 S CB -0.320 62.851 63.200 -0.049 0.000 0.852 53 S HN 0.488 nan 8.310 nan 0.000 0.457 54 Q N 1.103 120.864 119.800 -0.064 0.000 2.123 54 Q HA 0.028 4.369 4.340 0.002 0.000 0.199 54 Q C 2.091 178.064 176.000 -0.046 0.000 0.966 54 Q CA 1.365 57.143 55.803 -0.041 0.000 0.845 54 Q CB -0.207 28.514 28.738 -0.029 0.000 0.907 54 Q HN 0.564 nan 8.270 nan 0.000 0.439 55 Q N -0.998 118.762 119.800 -0.066 0.000 2.079 55 Q HA -0.039 4.302 4.340 0.002 0.000 0.200 55 Q C 1.988 177.958 176.000 -0.051 0.000 0.974 55 Q CA 1.336 57.105 55.803 -0.057 0.000 0.840 55 Q CB -0.221 28.474 28.738 -0.072 0.000 0.898 55 Q HN 0.460 nan 8.270 nan 0.000 0.430 56 A N 0.660 123.437 122.820 -0.071 0.000 1.933 56 A HA -0.185 4.136 4.320 0.002 0.000 0.218 56 A C 2.005 179.572 177.584 -0.028 0.000 1.175 56 A CA 1.233 53.238 52.037 -0.054 0.000 0.628 56 A CB -0.557 18.396 19.000 -0.079 0.000 0.814 56 A HN 0.373 nan 8.150 nan 0.000 0.444 57 L N -0.297 120.908 121.223 -0.029 0.000 2.007 57 L HA -0.076 4.265 4.340 0.002 0.000 0.205 57 L C 1.731 178.597 176.870 -0.007 0.000 1.073 57 L CA 2.543 57.375 54.840 -0.014 0.000 0.744 57 L CB -0.552 41.497 42.059 -0.016 0.000 0.898 57 L HN 0.304 nan 8.230 nan 0.000 0.435 58 D N -0.411 119.982 120.400 -0.012 0.000 2.087 58 D HA -0.113 4.528 4.640 0.002 0.000 0.201 58 D C 2.208 178.506 176.300 -0.003 0.000 0.980 58 D CA 2.191 56.187 54.000 -0.007 0.000 0.849 58 D CB -0.682 40.113 40.800 -0.010 0.000 1.001 58 D HN 0.384 nan 8.370 nan 0.000 0.452 59 V N -1.014 118.896 119.914 -0.006 0.000 2.591 59 V HA 0.049 4.170 4.120 0.002 0.000 0.249 59 V C 0.690 176.788 176.094 0.006 0.000 1.053 59 V CA 0.925 63.224 62.300 -0.002 0.000 1.068 59 V CB -0.604 31.216 31.823 -0.005 0.000 0.689 59 V HN 0.269 nan 8.190 nan 0.000 0.462 60 R N 0.252 120.756 120.500 0.007 0.000 3.776 60 R HA -0.155 4.187 4.340 0.002 0.000 0.312 60 R C -0.090 176.230 176.300 0.034 0.000 1.181 60 R CA 0.987 57.101 56.100 0.024 0.000 0.836 60 R CB -2.549 27.774 30.300 0.039 0.000 1.324 60 R HN 0.697 nan 8.270 nan 0.000 0.501 61 D N 0.709 121.120 120.400 0.018 0.000 2.336 61 D HA 0.151 4.792 4.640 0.002 0.000 0.249 61 D C 1.217 177.532 176.300 0.025 0.000 1.213 61 D CA -0.210 53.804 54.000 0.023 0.000 0.870 61 D CB 0.565 41.372 40.800 0.013 0.000 1.076 61 D HN 0.207 nan 8.370 nan 0.000 0.483 62 I N 2.929 123.524 120.570 0.042 0.000 2.394 62 I HA -0.180 3.991 4.170 0.002 0.000 0.251 62 I C 2.251 178.384 176.117 0.027 0.000 1.136 62 I CA 0.889 62.211 61.300 0.037 0.000 1.425 62 I CB -0.089 37.954 38.000 0.072 0.000 1.079 62 I HN 0.388 nan 8.210 nan 0.000 0.425 63 A N 0.452 123.290 122.820 0.030 0.000 2.072 63 A HA -0.087 4.234 4.320 0.002 0.000 0.216 63 A C 2.333 179.937 177.584 0.033 0.000 1.156 63 A CA 0.860 52.914 52.037 0.029 0.000 0.701 63 A CB -0.310 18.705 19.000 0.025 0.000 0.816 63 A HN 0.313 nan 8.150 nan 0.000 0.458 64 K N -0.204 120.214 120.400 0.030 0.000 2.155 64 K HA -0.024 4.298 4.320 0.002 0.000 0.203 64 K C 1.625 178.262 176.600 0.062 0.000 1.052 64 K CA 1.197 57.504 56.287 0.034 0.000 0.948 64 K CB -0.130 32.377 32.500 0.013 0.000 0.728 64 K HN 0.205 nan 8.250 nan 0.000 0.448 65 V N 0.404 120.346 119.914 0.047 0.000 2.358 65 V HA -0.155 3.966 4.120 0.002 0.000 0.246 65 V C 2.297 178.471 176.094 0.132 0.000 1.047 65 V CA 2.149 64.493 62.300 0.073 0.000 1.035 65 V CB -0.688 31.141 31.823 0.010 0.000 0.658 65 V HN 0.593 nan 8.190 nan 0.000 0.452 66 G N -0.574 108.270 108.800 0.073 0.000 2.432 66 G HA2 -0.234 3.727 3.960 0.002 0.000 0.219 66 G HA3 -0.234 3.727 3.960 0.002 0.000 0.219 66 G C 1.229 176.167 174.900 0.064 0.000 1.135 66 G CA 0.931 46.064 45.100 0.054 0.000 0.767 66 G HN 0.488 nan 8.290 nan 0.000 0.550 67 D N 0.024 120.474 120.400 0.083 0.000 2.097 67 D HA -0.108 4.534 4.640 0.002 0.000 0.195 67 D C 1.940 178.320 176.300 0.133 0.000 0.989 67 D CA 0.534 54.584 54.000 0.084 0.000 0.827 67 D CB -0.390 40.452 40.800 0.070 0.000 0.966 67 D HN 0.305 nan 8.370 nan 0.000 0.456 68 F N 1.528 121.500 119.950 0.037 0.000 2.102 68 F HA -0.192 4.336 4.527 0.002 0.000 0.298 68 F C 2.089 177.960 175.800 0.119 0.000 1.105 68 F CA 1.039 59.093 58.000 0.089 0.000 1.239 68 F CB -0.174 38.851 39.000 0.042 0.000 0.991 68 F HN -0.164 nan 8.300 nan 0.000 0.474 69 I N 0.904 121.477 120.570 0.005 0.000 2.194 69 I HA -0.321 3.850 4.170 0.002 0.000 0.246 69 I C 2.242 178.233 176.117 -0.210 0.000 1.093 69 I CA 1.680 62.889 61.300 -0.150 0.000 1.355 69 I CB -1.340 36.637 38.000 -0.038 0.000 1.046 69 I HN 0.265 nan 8.210 nan 0.000 0.413 70 K N -0.224 120.110 120.400 -0.110 0.000 2.103 70 K HA -0.175 4.146 4.320 0.002 0.000 0.204 70 K C 2.099 178.633 176.600 -0.110 0.000 1.052 70 K CA 1.075 57.294 56.287 -0.113 0.000 0.945 70 K CB -0.394 32.078 32.500 -0.048 0.000 0.722 70 K HN 0.171 nan 8.250 nan 0.000 0.443 71 F N 1.821 121.648 119.950 -0.205 0.000 2.126 71 F HA -0.234 4.294 4.527 0.002 0.000 0.299 71 F C 1.742 177.402 175.800 -0.234 0.000 1.096 71 F CA 1.311 59.194 58.000 -0.194 0.000 1.255 71 F CB -0.083 38.816 39.000 -0.169 0.000 0.997 71 F HN -0.111 nan 8.300 nan 0.000 0.479 72 I N 0.642 120.870 120.570 -0.570 0.000 2.252 72 I HA -0.238 3.933 4.170 0.002 0.000 0.245 72 I C 2.630 178.567 176.117 -0.300 0.000 1.102 72 I CA 1.399 62.381 61.300 -0.531 0.000 1.385 72 I CB -1.183 36.493 38.000 -0.539 0.000 1.064 72 I HN 0.246 nan 8.210 nan 0.000 0.414 73 R N 0.988 121.273 120.500 -0.358 0.000 2.073 73 R HA -0.193 4.148 4.340 0.002 0.000 0.234 73 R C 2.097 178.108 176.300 -0.482 0.000 1.134 73 R CA 1.697 57.512 56.100 -0.476 0.000 0.952 73 R CB -0.040 29.931 30.300 -0.547 0.000 0.850 73 R HN 0.389 nan 8.270 nan 0.000 0.433 74 E N -0.123 119.867 120.200 -0.349 0.000 2.208 74 E HA -0.172 4.179 4.350 0.002 0.000 0.193 74 E C 1.895 178.391 176.600 -0.175 0.000 0.988 74 E CA 0.828 57.101 56.400 -0.212 0.000 0.828 74 E CB 0.100 29.716 29.700 -0.141 0.000 0.763 74 E HN 0.254 nan 8.360 nan 0.000 0.478 75 K N 0.078 120.292 120.400 -0.310 0.000 2.062 75 K HA -0.147 4.174 4.320 0.002 0.000 0.205 75 K C 1.598 178.015 176.600 -0.304 0.000 1.051 75 K CA 1.273 57.337 56.287 -0.371 0.000 0.941 75 K CB 0.067 32.174 32.500 -0.655 0.000 0.719 75 K HN 0.174 nan 8.250 nan 0.000 0.440 76 H N -1.693 117.295 119.070 -0.137 0.000 2.448 76 H HA -0.011 4.546 4.556 0.002 0.000 0.292 76 H C 1.475 176.880 175.328 0.128 0.000 1.035 76 H CA 1.161 57.200 56.048 -0.016 0.000 1.349 76 H CB 0.077 29.828 29.762 -0.018 0.000 1.425 76 H HN 0.143 nan 8.280 nan 0.000 0.539 77 Y N 1.333 121.638 120.300 0.009 0.000 2.145 77 Y HA -0.179 4.372 4.550 0.002 0.000 0.286 77 Y C 2.494 178.374 175.900 -0.033 0.000 1.145 77 Y CA 1.185 59.277 58.100 -0.014 0.000 1.148 77 Y CB -0.410 38.035 38.460 -0.025 0.000 0.981 77 Y HN 0.107 nan 8.280 nan 0.000 0.507 78 K N -0.029 120.441 120.400 0.117 0.000 2.097 78 K HA -0.167 4.155 4.320 0.002 0.000 0.206 78 K C 2.192 178.791 176.600 -0.001 0.000 1.049 78 K CA 1.084 57.390 56.287 0.031 0.000 0.933 78 K CB -0.162 32.334 32.500 -0.007 0.000 0.717 78 K HN 0.244 nan 8.250 nan 0.000 0.442 79 A N 1.367 124.177 122.820 -0.017 0.000 1.873 79 A HA -0.124 4.197 4.320 0.002 0.000 0.215 79 A C 2.055 179.633 177.584 -0.011 0.000 1.186 79 A CA 1.335 53.352 52.037 -0.033 0.000 0.616 79 A CB -0.535 18.420 19.000 -0.074 0.000 0.823 79 A HN 0.304 nan 8.150 nan 0.000 0.442 80 I N -0.587 119.990 120.570 0.010 0.000 2.151 80 I HA -0.293 3.879 4.170 0.002 0.000 0.243 80 I C 2.573 178.670 176.117 -0.032 0.000 1.080 80 I CA 1.947 63.239 61.300 -0.013 0.000 1.339 80 I CB -0.302 37.679 38.000 -0.033 0.000 1.039 80 I HN 0.355 nan 8.210 nan 0.000 0.409 81 E N 1.088 121.269 120.200 -0.031 0.000 2.110 81 E HA -0.227 4.124 4.350 0.002 0.000 0.193 81 E C 1.819 178.404 176.600 -0.025 0.000 0.988 81 E CA 1.499 57.879 56.400 -0.033 0.000 0.804 81 E CB -0.005 29.681 29.700 -0.024 0.000 0.745 81 E HN 0.471 nan 8.360 nan 0.000 0.458 82 E N -1.629 118.559 120.200 -0.020 0.000 2.474 82 E HA 0.174 4.526 4.350 0.002 0.000 0.194 82 E C 1.158 177.745 176.600 -0.022 0.000 1.041 82 E CA 0.429 56.818 56.400 -0.018 0.000 0.874 82 E CB 0.568 30.259 29.700 -0.015 0.000 0.914 82 E HN 0.278 nan 8.360 nan 0.000 0.498 83 A N 0.410 123.214 122.820 -0.027 0.000 2.108 83 A HA 0.259 4.580 4.320 0.002 0.000 0.206 83 A C 0.812 178.373 177.584 -0.037 0.000 1.212 83 A CA 0.032 52.049 52.037 -0.034 0.000 0.843 83 A CB 0.551 19.528 19.000 -0.038 0.000 0.902 83 A HN 0.034 nan 8.150 nan 0.000 0.477 84 I N -0.324 120.225 120.570 -0.035 0.000 2.433 84 I HA 0.280 4.452 4.170 0.002 0.000 0.292 84 I C 0.680 176.777 176.117 -0.034 0.000 1.001 84 I CA -0.467 60.811 61.300 -0.037 0.000 1.119 84 I CB 2.252 40.229 38.000 -0.038 0.000 1.289 84 I HN 0.071 nan 8.210 nan 0.000 0.438 85 K N 2.041 122.422 120.400 -0.032 0.000 2.078 85 K HA 0.040 4.361 4.320 0.002 0.000 0.203 85 K C 0.994 177.576 176.600 -0.029 0.000 1.043 85 K CA 0.475 56.745 56.287 -0.028 0.000 0.960 85 K CB 0.131 32.616 32.500 -0.025 0.000 0.761 85 K HN 0.587 nan 8.250 nan 0.000 0.448 86 S N 1.702 117.385 115.700 -0.029 0.000 2.544 86 S HA -0.061 4.410 4.470 0.002 0.000 0.290 86 S C 0.991 175.572 174.600 -0.032 0.000 1.276 86 S CA -0.279 57.904 58.200 -0.028 0.000 1.075 86 S CB 0.454 63.637 63.200 -0.027 0.000 0.849 86 S HN 0.114 nan 8.310 nan 0.000 0.494 87 E N 3.844 124.025 120.200 -0.031 0.000 2.106 87 E HA -0.151 4.200 4.350 0.002 0.000 0.192 87 E C 1.777 178.355 176.600 -0.037 0.000 0.984 87 E CA 1.214 57.592 56.400 -0.036 0.000 0.806 87 E CB -0.247 29.434 29.700 -0.031 0.000 0.750 87 E HN 0.946 nan 8.360 nan 0.000 0.458 88 E N 0.385 120.567 120.200 -0.030 0.000 2.110 88 E HA -0.146 4.205 4.350 0.002 0.000 0.193 88 E C 2.151 178.732 176.600 -0.031 0.000 0.988 88 E CA 0.759 57.142 56.400 -0.028 0.000 0.804 88 E CB -0.008 29.678 29.700 -0.023 0.000 0.745 88 E HN 0.201 nan 8.360 nan 0.000 0.458 89 I N 0.428 120.979 120.570 -0.031 0.000 2.286 89 I HA -0.222 3.949 4.170 0.002 0.000 0.245 89 I C 2.365 178.458 176.117 -0.039 0.000 1.104 89 I CA 0.877 62.158 61.300 -0.032 0.000 1.397 89 I CB -0.143 37.839 38.000 -0.030 0.000 1.072 89 I HN 0.020 nan 8.210 nan 0.000 0.417 90 K N 0.776 121.148 120.400 -0.048 0.000 2.020 90 K HA -0.290 4.031 4.320 0.002 0.000 0.212 90 K C 2.064 178.617 176.600 -0.078 0.000 1.050 90 K CA 2.006 58.254 56.287 -0.065 0.000 0.929 90 K CB -0.266 32.190 32.500 -0.074 0.000 0.714 90 K HN 0.276 nan 8.250 nan 0.000 0.443 91 E N 0.801 120.960 120.200 -0.069 0.000 2.118 91 E HA -0.270 4.081 4.350 0.002 0.000 0.195 91 E C 2.037 178.607 176.600 -0.050 0.000 0.992 91 E CA 1.343 57.703 56.400 -0.066 0.000 0.804 91 E CB 0.105 29.775 29.700 -0.050 0.000 0.741 91 E HN 0.310 nan 8.360 nan 0.000 0.458 92 E N -0.419 119.758 120.200 -0.038 0.000 2.072 92 E HA -0.127 4.224 4.350 0.002 0.000 0.190 92 E C 2.069 178.656 176.600 -0.022 0.000 0.982 92 E CA 0.991 57.375 56.400 -0.025 0.000 0.803 92 E CB 0.292 29.979 29.700 -0.021 0.000 0.755 92 E HN 0.155 nan 8.360 nan 0.000 0.453 93 V N 1.314 121.211 119.914 -0.027 0.000 2.453 93 V HA -0.182 3.939 4.120 0.002 0.000 0.247 93 V C 2.407 178.491 176.094 -0.015 0.000 1.048 93 V CA 1.581 63.871 62.300 -0.016 0.000 1.049 93 V CB -0.386 31.427 31.823 -0.016 0.000 0.672 93 V HN 0.204 nan 8.190 nan 0.000 0.457 94 K N 0.228 120.596 120.400 -0.054 0.000 2.103 94 K HA -0.228 4.093 4.320 0.002 0.000 0.207 94 K C 2.231 178.825 176.600 -0.010 0.000 1.048 94 K CA 1.555 57.793 56.287 -0.080 0.000 0.930 94 K CB -0.063 32.306 32.500 -0.218 0.000 0.716 94 K HN 0.389 nan 8.250 nan 0.000 0.444 95 K N 0.423 120.816 120.400 -0.012 0.000 2.026 95 K HA -0.106 4.215 4.320 0.002 0.000 0.208 95 K C 2.085 178.702 176.600 0.028 0.000 1.048 95 K CA 1.608 57.901 56.287 0.011 0.000 0.929 95 K CB -0.136 32.365 32.500 0.002 0.000 0.713 95 K HN 0.118 nan 8.250 nan 0.000 0.439 96 I N 0.707 121.290 120.570 0.023 0.000 2.127 96 I HA -0.316 3.855 4.170 0.002 0.000 0.241 96 I C 2.107 178.250 176.117 0.044 0.000 1.075 96 I CA 1.134 62.453 61.300 0.031 0.000 1.334 96 I CB -0.285 37.729 38.000 0.023 0.000 1.040 96 I HN 0.081 nan 8.210 nan 0.000 0.405 97 I N 0.822 121.420 120.570 0.047 0.000 2.194 97 I HA -0.341 3.830 4.170 0.002 0.000 0.246 97 I C 2.036 178.187 176.117 0.057 0.000 1.093 97 I CA 1.766 63.096 61.300 0.051 0.000 1.355 97 I CB -0.571 37.487 38.000 0.097 0.000 1.046 97 I HN 0.228 nan 8.210 nan 0.000 0.413 98 D N -0.364 120.086 120.400 0.084 0.000 2.144 98 D HA -0.098 4.544 4.640 0.002 0.000 0.200 98 D C 2.407 178.734 176.300 0.046 0.000 0.978 98 D CA 1.291 55.335 54.000 0.073 0.000 0.833 98 D CB -0.190 40.665 40.800 0.091 0.000 0.961 98 D HN 0.227 nan 8.370 nan 0.000 0.470 99 S N 0.617 116.349 115.700 0.054 0.000 2.383 99 S HA -0.120 4.351 4.470 0.002 0.000 0.229 99 S C 1.893 176.550 174.600 0.094 0.000 1.030 99 S CA 0.822 59.061 58.200 0.066 0.000 1.002 99 S CB 0.099 63.339 63.200 0.067 0.000 0.829 99 S HN 0.192 nan 8.310 nan 0.000 0.467 100 R N 1.001 121.563 120.500 0.102 0.000 2.073 100 R HA 0.187 4.528 4.340 0.002 0.000 0.229 100 R C 2.166 178.459 176.300 -0.013 0.000 1.120 100 R CA 0.811 57.025 56.100 0.189 0.000 0.967 100 R CB -0.969 29.453 30.300 0.203 0.000 0.862 100 R HN 0.443 nan 8.270 nan 0.000 0.436 101 I N 1.260 121.785 120.570 -0.074 0.000 2.315 101 I HA -0.218 3.954 4.170 0.002 0.000 0.248 101 I C 2.249 178.288 176.117 -0.130 0.000 1.117 101 I CA 1.085 62.290 61.300 -0.158 0.000 1.404 101 I CB -0.213 37.705 38.000 -0.137 0.000 1.071 101 I HN 0.095 nan 8.210 nan 0.000 0.419 102 E N 1.034 121.202 120.200 -0.053 0.000 2.033 102 E HA -0.272 4.079 4.350 0.002 0.000 0.199 102 E C 2.048 178.630 176.600 -0.029 0.000 1.011 102 E CA 1.656 58.041 56.400 -0.026 0.000 0.815 102 E CB -0.368 29.341 29.700 0.016 0.000 0.755 102 E HN 0.578 nan 8.360 nan 0.000 0.451 103 E N 0.959 121.171 120.200 0.019 0.000 2.085 103 E HA -0.144 4.207 4.350 0.002 0.000 0.194 103 E C 2.333 178.892 176.600 -0.069 0.000 0.994 103 E CA 0.567 57.034 56.400 0.112 0.000 0.801 103 E CB -0.188 29.742 29.700 0.384 0.000 0.743 103 E HN 0.144 nan 8.360 nan 0.000 0.453 104 L N 0.957 121.866 121.223 -0.524 0.000 2.012 104 L HA -0.271 4.071 4.340 0.002 0.000 0.210 104 L C 2.576 179.290 176.870 -0.259 0.000 1.073 104 L CA 1.670 56.052 54.840 -0.763 0.000 0.748 104 L CB -0.199 41.322 42.059 -0.898 0.000 0.891 104 L HN 0.220 nan 8.230 nan 0.000 0.431 105 E N -0.119 119.982 120.200 -0.165 0.000 2.047 105 E HA -0.256 4.095 4.350 0.002 0.000 0.191 105 E C 2.182 178.735 176.600 -0.078 0.000 0.987 105 E CA 1.259 57.608 56.400 -0.084 0.000 0.799 105 E CB 0.096 29.755 29.700 -0.067 0.000 0.752 105 E HN 0.366 nan 8.360 nan 0.000 0.449 106 K N -0.074 120.291 120.400 -0.059 0.000 2.063 106 K HA -0.143 4.178 4.320 0.002 0.000 0.208 106 K C 2.134 178.703 176.600 -0.052 0.000 1.048 106 K CA 1.483 57.739 56.287 -0.052 0.000 0.928 106 K CB -0.053 32.442 32.500 -0.007 0.000 0.713 106 K HN 0.076 nan 8.250 nan 0.000 0.442 107 V N 1.698 121.615 119.914 0.005 0.000 2.358 107 V HA -0.205 3.916 4.120 0.002 0.000 0.246 107 V C 2.190 178.274 176.094 -0.017 0.000 1.047 107 V CA 1.450 63.778 62.300 0.046 0.000 1.035 107 V CB -0.348 31.614 31.823 0.232 0.000 0.658 107 V HN 0.271 nan 8.190 nan 0.000 0.452 108 L N -0.774 120.420 121.223 -0.049 0.000 2.093 108 L HA -0.144 4.197 4.340 0.002 0.000 0.208 108 L C 2.330 179.131 176.870 -0.115 0.000 1.085 108 L CA 1.554 56.348 54.840 -0.075 0.000 0.755 108 L CB -0.410 41.601 42.059 -0.080 0.000 0.904 108 L HN 0.265 nan 8.230 nan 0.000 0.435 109 I N -0.288 120.180 120.570 -0.170 0.000 2.202 109 I HA -0.201 3.970 4.170 0.002 0.000 0.242 109 I C 2.630 178.494 176.117 -0.421 0.000 1.091 109 I CA 1.417 62.516 61.300 -0.335 0.000 1.368 109 I CB -0.814 36.937 38.000 -0.414 0.000 1.058 109 I HN 0.258 nan 8.210 nan 0.000 0.410 110 G N 0.434 109.074 108.800 -0.265 0.000 2.442 110 G HA2 -0.205 3.756 3.960 0.002 0.000 0.219 110 G HA3 -0.205 3.756 3.960 0.002 0.000 0.219 110 G C 1.704 176.573 174.900 -0.052 0.000 1.141 110 G CA 0.994 46.010 45.100 -0.141 0.000 0.763 110 G HN 0.255 nan 8.290 nan 0.000 0.554 111 V N 1.356 121.236 119.914 -0.055 0.000 2.307 111 V HA -0.099 4.022 4.120 0.002 0.000 0.245 111 V C 3.314 179.412 176.094 0.006 0.000 1.045 111 V CA 2.002 64.289 62.300 -0.022 0.000 1.024 111 V CB -0.810 30.995 31.823 -0.029 0.000 0.651 111 V HN 0.479 nan 8.190 nan 0.000 0.449 112 A N -0.999 121.816 122.820 -0.007 0.000 1.902 112 A HA -0.221 4.100 4.320 0.002 0.000 0.217 112 A C 2.135 179.837 177.584 0.195 0.000 1.181 112 A CA 1.782 53.854 52.037 0.058 0.000 0.623 112 A CB -0.729 18.290 19.000 0.032 0.000 0.818 112 A HN 0.537 nan 8.150 nan 0.000 0.443 113 Y N -1.002 119.291 120.300 -0.011 0.000 2.224 113 Y HA -0.095 4.456 4.550 0.002 0.000 0.289 113 Y C 2.175 178.068 175.900 -0.013 0.000 1.146 113 Y CA 0.771 58.864 58.100 -0.010 0.000 1.182 113 Y CB -0.686 37.768 38.460 -0.009 0.000 0.983 113 Y HN 0.203 nan 8.280 nan 0.000 0.524 114 L N -0.925 120.389 121.223 0.151 0.000 2.209 114 L HA 0.157 4.498 4.340 0.002 0.000 0.207 114 L C 1.845 178.740 176.870 0.041 0.000 1.094 114 L CA 1.468 56.350 54.840 0.069 0.000 0.790 114 L CB -1.111 40.972 42.059 0.040 0.000 0.932 114 L HN 0.346 nan 8.230 nan 0.000 0.447 115 G N 0.324 109.149 108.800 0.042 0.000 2.249 115 G HA2 -0.324 3.637 3.960 0.002 0.000 0.273 115 G HA3 -0.324 3.637 3.960 0.002 0.000 0.273 115 G C 0.299 175.203 174.900 0.008 0.000 1.036 115 G CA 0.665 45.778 45.100 0.022 0.000 0.824 115 G HN 0.400 nan 8.290 nan 0.000 0.504 116 E N -1.007 119.195 120.200 0.003 0.000 2.256 116 E HA 0.643 4.994 4.350 0.002 0.000 0.268 116 E C -1.070 175.519 176.600 -0.018 0.000 0.877 116 E CA -1.113 55.282 56.400 -0.009 0.000 0.757 116 E CB 1.235 30.927 29.700 -0.013 0.000 1.183 116 E HN 0.340 nan 8.360 nan 0.000 0.418 117 L N 4.800 126.010 121.223 -0.021 0.000 2.454 117 L HA 0.347 4.688 4.340 0.002 0.000 0.258 117 L C -0.549 176.299 176.870 -0.036 0.000 1.025 117 L CA -0.213 54.611 54.840 -0.027 0.000 0.901 117 L CB 1.196 43.244 42.059 -0.018 0.000 1.210 117 L HN 0.609 nan 8.230 nan 0.000 0.457 118 T N 1.525 116.041 114.554 -0.064 0.000 2.868 118 T HA 0.366 4.717 4.350 0.002 0.000 0.292 118 T C -1.774 172.867 174.700 -0.099 0.000 1.028 118 T CA -1.368 60.682 62.100 -0.083 0.000 1.059 118 T CB 0.783 69.572 68.868 -0.131 0.000 0.991 118 T HN 0.365 nan 8.240 nan 0.000 0.531 119 P HA -0.138 nan 4.420 nan 0.000 0.217 119 P C 1.525 178.703 177.300 -0.203 0.000 1.151 119 P CA 1.178 64.262 63.100 -0.028 0.000 0.849 119 P CB 0.074 31.834 31.700 0.100 0.000 0.787 120 K N -0.491 119.557 120.400 -0.588 0.000 2.032 120 K HA -0.116 4.205 4.320 0.002 0.000 0.209 120 K C 2.117 178.434 176.600 -0.472 0.000 1.048 120 K CA 1.818 57.424 56.287 -1.136 0.000 0.927 120 K CB -0.402 31.365 32.500 -1.221 0.000 0.712 120 K HN -0.007 nan 8.250 nan 0.000 0.441 121 S N 0.461 115.999 115.700 -0.269 0.000 2.383 121 S HA -0.074 4.397 4.470 0.002 0.000 0.227 121 S C 1.834 176.446 174.600 0.021 0.000 1.026 121 S CA 0.888 59.037 58.200 -0.085 0.000 0.981 121 S CB -0.184 62.973 63.200 -0.071 0.000 0.818 121 S HN 0.320 nan 8.310 nan 0.000 0.472 122 R N 0.990 121.484 120.500 -0.010 0.000 2.097 122 R HA -0.142 4.199 4.340 0.002 0.000 0.236 122 R C 1.886 178.232 176.300 0.077 0.000 1.135 122 R CA 1.907 58.032 56.100 0.042 0.000 0.934 122 R CB -0.451 29.873 30.300 0.041 0.000 0.846 122 R HN 0.292 nan 8.270 nan 0.000 0.431 123 D N -0.655 119.783 120.400 0.063 0.000 2.104 123 D HA -0.206 4.435 4.640 0.002 0.000 0.194 123 D C 1.610 177.956 176.300 0.077 0.000 0.994 123 D CA 1.161 55.208 54.000 0.077 0.000 0.830 123 D CB -0.392 40.505 40.800 0.162 0.000 0.959 123 D HN 0.215 nan 8.370 nan 0.000 0.452 124 Y N 1.126 121.411 120.300 -0.024 0.000 2.128 124 Y HA -0.201 4.350 4.550 0.002 0.000 0.284 124 Y C 2.205 178.170 175.900 0.108 0.000 1.154 124 Y CA 1.349 59.443 58.100 -0.010 0.000 1.149 124 Y CB -0.441 38.016 38.460 -0.005 0.000 0.976 124 Y HN -0.038 nan 8.280 nan 0.000 0.505 125 I N -0.494 120.193 120.570 0.195 0.000 2.179 125 I HA -0.358 3.813 4.170 0.002 0.000 0.242 125 I C 2.385 178.654 176.117 0.253 0.000 1.088 125 I CA 1.404 62.857 61.300 0.256 0.000 1.357 125 I CB -0.523 37.574 38.000 0.163 0.000 1.051 125 I HN 0.234 nan 8.210 nan 0.000 0.409 126 L N 0.470 121.799 121.223 0.176 0.000 2.042 126 L HA -0.223 4.119 4.340 0.002 0.000 0.210 126 L C 2.787 179.797 176.870 0.233 0.000 1.076 126 L CA 1.775 56.760 54.840 0.242 0.000 0.749 126 L CB -0.863 41.378 42.059 0.304 0.000 0.893 126 L HN 0.413 nan 8.230 nan 0.000 0.432 127 S N -0.319 115.392 115.700 0.018 0.000 2.465 127 S HA -0.195 4.276 4.470 0.002 0.000 0.241 127 S C 1.762 176.287 174.600 -0.126 0.000 1.000 127 S CA 0.960 59.095 58.200 -0.108 0.000 0.964 127 S CB -0.747 62.273 63.200 -0.300 0.000 0.763 127 S HN 0.305 nan 8.310 nan 0.000 0.512 128 F N 2.715 122.636 119.950 -0.047 0.000 2.234 128 F HA 0.156 4.685 4.527 0.002 0.000 0.299 128 F C 2.709 178.515 175.800 0.011 0.000 1.087 128 F CA 0.513 58.478 58.000 -0.059 0.000 1.340 128 F CB -1.142 37.812 39.000 -0.078 0.000 1.031 128 F HN 0.351 nan 8.300 nan 0.000 0.500 129 G N 0.072 109.027 108.800 0.258 0.000 2.628 129 G HA2 -0.335 3.626 3.960 0.002 0.000 0.217 129 G HA3 -0.335 3.626 3.960 0.002 0.000 0.217 129 G C 1.508 176.517 174.900 0.181 0.000 1.240 129 G CA 1.291 46.526 45.100 0.225 0.000 0.792 129 G HN 0.261 nan 8.290 nan 0.000 0.593 130 E N 0.070 120.376 120.200 0.176 0.000 2.150 130 E HA 0.011 4.362 4.350 0.002 0.000 0.193 130 E C 2.662 179.310 176.600 0.080 0.000 0.985 130 E CA 0.561 57.045 56.400 0.140 0.000 0.814 130 E CB -0.111 29.692 29.700 0.172 0.000 0.752 130 E HN 0.404 nan 8.360 nan 0.000 0.466 131 R N -0.453 120.068 120.500 0.034 0.000 2.276 131 R HA 0.089 4.431 4.340 0.002 0.000 0.203 131 R C 1.677 177.992 176.300 0.025 0.000 1.017 131 R CA 0.480 56.574 56.100 -0.011 0.000 1.010 131 R CB 0.065 30.286 30.300 -0.132 0.000 0.900 131 R HN 0.174 nan 8.270 nan 0.000 0.469 132 L N -0.597 120.648 121.223 0.037 0.000 2.357 132 L HA 0.019 4.360 4.340 0.002 0.000 0.211 132 L C 2.259 179.179 176.870 0.083 0.000 1.075 132 L CA 0.626 55.443 54.840 -0.038 0.000 0.830 132 L CB 0.060 41.920 42.059 -0.331 0.000 0.996 132 L HN 0.180 nan 8.230 nan 0.000 0.467 133 S N -1.009 114.779 115.700 0.145 0.000 2.388 133 S HA -0.123 4.348 4.470 0.002 0.000 0.223 133 S C 2.192 176.845 174.600 0.088 0.000 1.034 133 S CA 0.715 59.009 58.200 0.157 0.000 0.963 133 S CB -0.430 62.861 63.200 0.151 0.000 0.827 133 S HN 0.425 nan 8.310 nan 0.000 0.481 134 S N 3.631 119.374 115.700 0.071 0.000 2.370 134 S HA -0.002 4.469 4.470 0.002 0.000 0.226 134 S C -0.710 173.907 174.600 0.028 0.000 1.033 134 S CA 1.277 59.505 58.200 0.046 0.000 1.011 134 S CB -2.124 61.102 63.200 0.044 0.000 0.852 134 S HN 0.469 nan 8.310 nan 0.000 0.457 135 P HA 0.103 nan 4.420 nan 0.000 0.221 135 P C 1.362 178.671 177.300 0.014 0.000 1.150 135 P CA 0.759 63.870 63.100 0.019 0.000 0.800 135 P CB -0.185 31.528 31.700 0.022 0.000 0.787 136 I N -1.340 119.248 120.570 0.029 0.000 2.202 136 I HA -0.188 3.983 4.170 0.002 0.000 0.242 136 I C 2.200 178.309 176.117 -0.013 0.000 1.091 136 I CA 0.975 62.286 61.300 0.018 0.000 1.368 136 I CB -0.688 37.341 38.000 0.048 0.000 1.058 136 I HN -0.063 nan 8.210 nan 0.000 0.410 137 L N 0.292 121.503 121.223 -0.019 0.000 2.046 137 L HA -0.177 4.164 4.340 0.002 0.000 0.208 137 L C 2.609 179.444 176.870 -0.058 0.000 1.077 137 L CA 1.866 56.670 54.840 -0.060 0.000 0.747 137 L CB -0.702 41.314 42.059 -0.072 0.000 0.896 137 L HN 0.121 nan 8.230 nan 0.000 0.432 138 S N -0.610 115.071 115.700 -0.032 0.000 2.368 138 S HA -0.126 4.345 4.470 0.002 0.000 0.225 138 S C 2.016 176.596 174.600 -0.033 0.000 1.030 138 S CA 1.252 59.435 58.200 -0.028 0.000 0.999 138 S CB -0.827 62.366 63.200 -0.012 0.000 0.844 138 S HN 0.678 nan 8.310 nan 0.000 0.459 139 G N 0.492 109.275 108.800 -0.028 0.000 2.408 139 G HA2 0.005 3.966 3.960 0.002 0.000 0.217 139 G HA3 0.005 3.966 3.960 0.002 0.000 0.217 139 G C 1.629 176.505 174.900 -0.041 0.000 1.150 139 G CA 0.854 45.936 45.100 -0.030 0.000 0.776 139 G HN 0.658 nan 8.290 nan 0.000 0.542 140 A N 0.613 123.403 122.820 -0.051 0.000 1.930 140 A HA 0.108 4.429 4.320 0.002 0.000 0.217 140 A C 2.360 179.900 177.584 -0.073 0.000 1.175 140 A CA 1.075 53.074 52.037 -0.064 0.000 0.627 140 A CB -0.290 18.662 19.000 -0.080 0.000 0.815 140 A HN 0.378 nan 8.150 nan 0.000 0.443 141 I N -1.128 119.396 120.570 -0.076 0.000 2.315 141 I HA -0.223 3.948 4.170 0.002 0.000 0.248 141 I C 2.750 178.834 176.117 -0.055 0.000 1.117 141 I CA 1.127 62.382 61.300 -0.076 0.000 1.404 141 I CB -0.269 37.686 38.000 -0.075 0.000 1.071 141 I HN 0.262 nan 8.210 nan 0.000 0.419 142 R N 0.416 120.890 120.500 -0.044 0.000 2.092 142 R HA -0.205 4.136 4.340 0.002 0.000 0.231 142 R C 1.900 178.179 176.300 -0.036 0.000 1.119 142 R CA 1.761 57.840 56.100 -0.035 0.000 0.970 142 R CB -0.373 29.910 30.300 -0.029 0.000 0.864 142 R HN 0.264 nan 8.270 nan 0.000 0.440 143 D N 0.455 120.831 120.400 -0.040 0.000 2.221 143 D HA -0.131 4.510 4.640 0.002 0.000 0.204 143 D C 0.989 177.266 176.300 -0.039 0.000 0.982 143 D CA 0.894 54.871 54.000 -0.038 0.000 0.857 143 D CB 0.127 40.902 40.800 -0.041 0.000 0.934 143 D HN 0.156 nan 8.370 nan 0.000 0.475 144 L N -1.118 120.077 121.223 -0.046 0.000 2.728 144 L HA 0.327 4.668 4.340 0.002 0.000 0.235 144 L C 1.317 178.164 176.870 -0.039 0.000 1.197 144 L CA 0.153 54.965 54.840 -0.046 0.000 0.992 144 L CB -0.002 42.021 42.059 -0.060 0.000 1.263 144 L HN 0.168 nan 8.230 nan 0.000 0.484 145 G N 0.476 109.256 108.800 -0.033 0.000 2.160 145 G HA2 -0.282 3.679 3.960 0.002 0.000 0.244 145 G HA3 -0.282 3.679 3.960 0.002 0.000 0.244 145 G C -0.086 174.798 174.900 -0.026 0.000 1.022 145 G CA 0.097 45.181 45.100 -0.027 0.000 0.741 145 G HN 0.406 nan 8.290 nan 0.000 0.508 146 E N 0.023 120.205 120.200 -0.030 0.000 2.227 146 E HA 0.619 4.971 4.350 0.002 0.000 0.268 146 E C 0.234 176.819 176.600 -0.025 0.000 0.907 146 E CA -0.868 55.515 56.400 -0.028 0.000 0.786 146 E CB 0.789 30.468 29.700 -0.034 0.000 1.191 146 E HN 0.246 nan 8.360 nan 0.000 0.411 147 K N 1.530 121.918 120.400 -0.020 0.000 2.322 147 K HA 0.429 4.750 4.320 0.002 0.000 0.283 147 K C -0.654 175.936 176.600 -0.016 0.000 1.042 147 K CA -0.168 56.109 56.287 -0.016 0.000 0.958 147 K CB 1.218 33.711 32.500 -0.012 0.000 0.984 147 K HN 0.289 nan 8.250 nan 0.000 0.473 148 S N 2.965 118.656 115.700 -0.016 0.000 2.535 148 S HA 0.590 5.062 4.470 0.002 0.000 0.272 148 S C -1.267 173.327 174.600 -0.011 0.000 1.149 148 S CA -0.922 57.269 58.200 -0.014 0.000 0.888 148 S CB 0.695 63.882 63.200 -0.022 0.000 1.110 148 S HN 0.590 nan 8.310 nan 0.000 0.463 149 I N 1.185 121.752 120.570 -0.006 0.000 2.828 149 I HA 0.968 5.139 4.170 0.002 0.000 0.302 149 I C -0.327 175.790 176.117 0.000 0.000 1.101 149 I CA -1.328 59.970 61.300 -0.003 0.000 1.031 149 I CB 1.952 39.951 38.000 -0.002 0.000 1.231 149 I HN 0.660 nan 8.210 nan 0.000 0.427 150 A N 6.046 128.868 122.820 0.002 0.000 2.301 150 A HA 0.803 5.124 4.320 0.002 0.000 0.298 150 A C -0.614 176.973 177.584 0.005 0.000 1.185 150 A CA -0.470 51.571 52.037 0.006 0.000 0.830 150 A CB 0.546 19.551 19.000 0.009 0.000 1.112 150 A HN 0.735 nan 8.150 nan 0.000 0.508 151 L N 1.681 122.908 121.223 0.006 0.000 2.323 151 L HA 0.484 4.826 4.340 0.002 0.000 0.265 151 L C 0.044 176.913 176.870 -0.001 0.000 1.012 151 L CA -0.650 54.191 54.840 0.001 0.000 0.820 151 L CB 2.218 44.278 42.059 0.001 0.000 1.334 151 L HN 0.791 nan 8.230 nan 0.000 0.427 152 E N 0.061 120.255 120.200 -0.011 0.000 2.248 152 E HA 0.223 4.574 4.350 0.002 0.000 0.272 152 E C 0.661 177.248 176.600 -0.021 0.000 1.008 152 E CA -0.178 56.210 56.400 -0.020 0.000 0.856 152 E CB 1.651 31.331 29.700 -0.033 0.000 1.120 152 E HN 0.794 nan 8.360 nan 0.000 0.397 153 G N 2.000 110.783 108.800 -0.028 0.000 2.513 153 G HA2 -0.332 3.629 3.960 0.002 0.000 0.219 153 G HA3 -0.332 3.629 3.960 0.002 0.000 0.219 153 G C 1.288 176.163 174.900 -0.042 0.000 1.160 153 G CA 1.056 46.133 45.100 -0.038 0.000 0.767 153 G HN 0.653 nan 8.290 nan 0.000 0.571 154 G N 1.413 110.189 108.800 -0.039 0.000 2.480 154 G HA2 -0.209 3.752 3.960 0.002 0.000 0.216 154 G HA3 -0.209 3.752 3.960 0.002 0.000 0.216 154 G C 1.620 176.503 174.900 -0.029 0.000 1.200 154 G CA 1.308 46.387 45.100 -0.035 0.000 0.782 154 G HN 0.667 nan 8.290 nan 0.000 0.554 155 E N 0.546 120.732 120.200 -0.022 0.000 2.338 155 E HA 0.204 4.555 4.350 0.002 0.000 0.197 155 E C 2.271 178.862 176.600 -0.016 0.000 1.007 155 E CA 0.734 57.124 56.400 -0.018 0.000 0.849 155 E CB -0.178 29.514 29.700 -0.013 0.000 0.774 155 E HN 0.387 nan 8.360 nan 0.000 0.506 156 A N 1.097 123.907 122.820 -0.018 0.000 2.208 156 A HA 0.346 4.667 4.320 0.002 0.000 0.209 156 A C 1.833 179.405 177.584 -0.019 0.000 1.161 156 A CA 0.628 52.657 52.037 -0.015 0.000 0.782 156 A CB -0.187 18.805 19.000 -0.012 0.000 0.816 156 A HN 0.499 nan 8.150 nan 0.000 0.477 157 G N -1.182 107.603 108.800 -0.026 0.000 2.159 157 G HA2 -0.124 3.837 3.960 0.002 0.000 0.170 157 G HA3 -0.124 3.837 3.960 0.002 0.000 0.170 157 G C -0.059 174.817 174.900 -0.041 0.000 1.007 157 G CA -0.118 44.966 45.100 -0.027 0.000 0.672 157 G HN 0.367 nan 8.290 nan 0.000 0.507 158 I N 1.624 122.161 120.570 -0.056 0.000 2.287 158 I HA 0.456 4.628 4.170 0.002 0.000 0.290 158 I C -0.046 176.028 176.117 -0.073 0.000 1.069 158 I CA -0.726 60.525 61.300 -0.081 0.000 1.237 158 I CB 0.810 38.742 38.000 -0.113 0.000 1.418 158 I HN -0.050 nan 8.210 nan 0.000 0.481 159 I N 6.135 126.664 120.570 -0.068 0.000 2.354 159 I HA 0.319 4.490 4.170 0.002 0.000 0.292 159 I C 0.706 176.782 176.117 -0.068 0.000 0.989 159 I CA 0.042 61.306 61.300 -0.061 0.000 1.188 159 I CB 1.744 39.713 38.000 -0.051 0.000 1.342 159 I HN 0.565 nan 8.210 nan 0.000 0.457 160 T N 0.708 115.219 114.554 -0.072 0.000 2.927 160 T HA 0.633 4.984 4.350 0.002 0.000 0.286 160 T C -0.244 174.401 174.700 -0.093 0.000 1.040 160 T CA -0.934 61.118 62.100 -0.080 0.000 1.010 160 T CB 1.520 70.333 68.868 -0.091 0.000 1.177 160 T HN 0.505 nan 8.240 nan 0.000 0.546 161 D N 0.206 120.545 120.400 -0.101 0.000 2.356 161 D HA 0.151 4.792 4.640 0.002 0.000 0.258 161 D C 0.132 176.293 176.300 -0.230 0.000 1.279 161 D CA -0.580 53.346 54.000 -0.124 0.000 1.016 161 D CB -0.163 40.580 40.800 -0.095 0.000 1.107 161 D HN 0.736 nan 8.370 nan 0.000 0.544 162 N N -2.267 116.259 118.700 -0.290 0.000 2.535 162 N HA 0.091 4.832 4.740 0.002 0.000 0.294 162 N C -0.892 174.217 175.510 -0.668 0.000 1.408 162 N CA -0.719 51.936 53.050 -0.658 0.000 0.927 162 N CB -0.251 37.965 38.487 -0.452 0.000 1.276 162 N HN 0.273 nan 8.380 nan 0.000 0.505 163 N N 1.072 119.540 118.700 -0.386 0.000 2.807 163 N HA 0.120 4.861 4.740 0.002 0.000 0.259 163 N C -1.107 174.303 175.510 -0.167 0.000 1.149 163 N CA -0.567 52.367 53.050 -0.193 0.000 1.042 163 N CB -0.258 38.180 38.487 -0.082 0.000 1.367 163 N HN 0.146 nan 8.380 nan 0.000 0.516 164 F N 1.334 121.294 119.950 0.017 0.000 2.602 164 F HA 0.261 4.790 4.527 0.002 0.000 0.367 164 F C 2.020 177.830 175.800 0.018 0.000 1.126 164 F CA 1.283 59.289 58.000 0.010 0.000 1.321 164 F CB 0.523 39.525 39.000 0.004 0.000 1.094 164 F HN 0.552 nan 8.300 nan 0.000 0.594 165 G N 1.164 110.079 108.800 0.192 0.000 2.397 165 G HA2 -0.228 3.733 3.960 0.002 0.000 0.211 165 G HA3 -0.228 3.733 3.960 0.002 0.000 0.211 165 G C 0.203 175.167 174.900 0.107 0.000 1.077 165 G CA 0.034 45.216 45.100 0.137 0.000 0.649 165 G HN 1.366 nan 8.290 nan 0.000 0.511 166 S N -0.359 115.387 115.700 0.076 0.000 2.605 166 S HA 0.744 5.215 4.470 0.002 0.000 0.142 166 S C 0.018 174.634 174.600 0.026 0.000 1.452 166 S CA 0.891 59.131 58.200 0.066 0.000 1.240 166 S CB 0.627 63.874 63.200 0.079 0.000 1.538 166 S HN 2.040 nan 8.310 nan 0.000 0.394 167 A N 2.801 125.615 122.820 -0.011 0.000 2.511 167 A HA 0.541 4.863 4.320 0.002 0.000 0.242 167 A C 0.777 178.361 177.584 -0.002 0.000 1.069 167 A CA -0.447 51.556 52.037 -0.058 0.000 0.763 167 A CB 0.110 19.039 19.000 -0.119 0.000 1.001 167 A HN 0.934 nan 8.150 nan 0.000 0.498 168 R N 1.710 122.204 120.500 -0.009 0.000 2.486 168 R HA 0.572 4.913 4.340 0.002 0.000 0.286 168 R C -1.098 175.206 176.300 0.007 0.000 0.999 168 R CA -0.764 55.355 56.100 0.030 0.000 0.993 168 R CB 0.800 31.112 30.300 0.020 0.000 1.084 168 R HN 0.271 nan 8.270 nan 0.000 0.487 169 V N 3.592 123.527 119.914 0.036 0.000 2.521 169 V HA 0.008 4.130 4.120 0.002 0.000 0.286 169 V C 1.180 177.253 176.094 -0.034 0.000 1.034 169 V CA 0.146 62.432 62.300 -0.023 0.000 1.045 169 V CB 0.986 32.775 31.823 -0.055 0.000 0.974 169 V HN 0.884 nan 8.190 nan 0.000 0.480 170 K N 3.170 123.542 120.400 -0.047 0.000 2.168 170 K HA 0.253 4.574 4.320 0.002 0.000 0.201 170 K C 0.863 177.439 176.600 -0.041 0.000 1.049 170 K CA 0.457 56.719 56.287 -0.042 0.000 0.974 170 K CB 0.408 32.882 32.500 -0.043 0.000 0.792 170 K HN 0.561 nan 8.250 nan 0.000 0.463 171 R N 0.025 120.497 120.500 -0.047 0.000 2.594 171 R HA 0.373 4.714 4.340 0.002 0.000 0.265 171 R C -1.891 174.386 176.300 -0.037 0.000 1.070 171 R CA -0.463 55.616 56.100 -0.034 0.000 0.909 171 R CB 1.286 31.569 30.300 -0.029 0.000 1.243 171 R HN -0.067 nan 8.270 nan 0.000 0.455 172 L N 2.514 123.728 121.223 -0.015 0.000 2.365 172 L HA 0.504 4.846 4.340 0.002 0.000 0.273 172 L C -0.208 176.666 176.870 0.006 0.000 1.000 172 L CA -0.397 54.440 54.840 -0.005 0.000 0.819 172 L CB 2.218 44.293 42.059 0.027 0.000 1.284 172 L HN 0.724 nan 8.230 nan 0.000 0.418 173 E N 1.742 121.940 120.200 -0.003 0.000 3.575 173 E HA 0.101 4.452 4.350 0.002 0.000 0.201 173 E C 0.709 177.309 176.600 -0.001 0.000 0.999 173 E CA -0.099 56.299 56.400 -0.002 0.000 1.315 173 E CB 1.069 30.763 29.700 -0.011 0.000 1.146 173 E HN 0.446 nan 8.360 nan 0.000 0.453 174 V N 0.629 120.547 119.914 0.007 0.000 2.379 174 V HA -0.238 3.883 4.120 0.002 0.000 0.245 174 V C 2.191 178.288 176.094 0.005 0.000 1.044 174 V CA 1.585 63.888 62.300 0.006 0.000 1.036 174 V CB -0.214 31.619 31.823 0.016 0.000 0.664 174 V HN 0.269 nan 8.190 nan 0.000 0.453 175 K N 0.187 120.590 120.400 0.006 0.000 2.020 175 K HA -0.257 4.064 4.320 0.002 0.000 0.212 175 K C 2.207 178.806 176.600 -0.002 0.000 1.050 175 K CA 2.193 58.480 56.287 -0.000 0.000 0.929 175 K CB -0.232 32.266 32.500 -0.003 0.000 0.714 175 K HN 0.527 nan 8.250 nan 0.000 0.443 176 E N -0.070 120.129 120.200 -0.002 0.000 2.118 176 E HA -0.171 4.181 4.350 0.002 0.000 0.195 176 E C 2.051 178.648 176.600 -0.005 0.000 0.992 176 E CA 1.130 57.528 56.400 -0.004 0.000 0.804 176 E CB 0.117 29.814 29.700 -0.005 0.000 0.741 176 E HN 0.159 nan 8.360 nan 0.000 0.458 177 R N -0.195 120.302 120.500 -0.005 0.000 2.112 177 R HA 0.100 4.441 4.340 0.002 0.000 0.216 177 R C 2.252 178.550 176.300 -0.003 0.000 1.080 177 R CA 0.710 56.806 56.100 -0.005 0.000 0.996 177 R CB -0.083 30.213 30.300 -0.007 0.000 0.902 177 R HN 0.258 nan 8.270 nan 0.000 0.449 178 L N -0.077 121.146 121.223 -0.001 0.000 2.357 178 L HA 0.022 4.363 4.340 0.002 0.000 0.211 178 L C 2.040 178.910 176.870 0.001 0.000 1.075 178 L CA 0.040 54.880 54.840 0.001 0.000 0.830 178 L CB -0.273 41.788 42.059 0.004 0.000 0.996 178 L HN 0.014 nan 8.230 nan 0.000 0.467 179 L N 0.951 122.174 121.223 -0.001 0.000 2.013 179 L HA -0.143 4.198 4.340 0.002 0.000 0.212 179 L C -0.215 176.654 176.870 -0.002 0.000 1.073 179 L CA 2.397 57.236 54.840 -0.002 0.000 0.753 179 L CB -1.870 40.188 42.059 -0.003 0.000 0.890 179 L HN 0.098 nan 8.230 nan 0.000 0.432 180 P HA -0.173 nan 4.420 nan 0.000 0.216 180 P C 1.921 179.220 177.300 -0.002 0.000 1.150 180 P CA 1.160 64.258 63.100 -0.003 0.000 0.843 180 P CB 0.052 31.750 31.700 -0.003 0.000 0.787 181 L N -1.768 119.454 121.223 -0.002 0.000 2.093 181 L HA -0.101 4.240 4.340 0.002 0.000 0.208 181 L C 2.420 179.290 176.870 -0.001 0.000 1.085 181 L CA 1.585 56.424 54.840 -0.001 0.000 0.755 181 L CB -1.392 40.667 42.059 -0.000 0.000 0.904 181 L HN -0.067 nan 8.230 nan 0.000 0.435 182 L N -1.035 120.188 121.223 0.001 0.000 2.093 182 L HA -0.206 4.135 4.340 0.002 0.000 0.208 182 L C 2.562 179.432 176.870 -0.000 0.000 1.085 182 L CA 1.073 55.914 54.840 0.001 0.000 0.755 182 L CB -0.462 41.599 42.059 0.003 0.000 0.904 182 L HN 0.234 nan 8.230 nan 0.000 0.435 183 K N 0.012 120.411 120.400 -0.001 0.000 2.103 183 K HA -0.174 4.147 4.320 0.002 0.000 0.207 183 K C 1.687 178.286 176.600 -0.002 0.000 1.048 183 K CA 1.103 57.388 56.287 -0.002 0.000 0.930 183 K CB 0.153 32.652 32.500 -0.003 0.000 0.716 183 K HN 0.194 nan 8.250 nan 0.000 0.444 184 E N -0.700 119.499 120.200 -0.003 0.000 2.511 184 E HA -0.021 4.330 4.350 0.002 0.000 0.196 184 E C 0.902 177.500 176.600 -0.004 0.000 1.066 184 E CA 0.760 57.158 56.400 -0.003 0.000 0.871 184 E CB 0.446 30.144 29.700 -0.004 0.000 0.863 184 E HN 0.566 nan 8.360 nan 0.000 0.520 185 G N 1.590 110.389 108.800 -0.003 0.000 2.143 185 G HA2 -0.292 3.669 3.960 0.002 0.000 0.249 185 G HA3 -0.292 3.669 3.960 0.002 0.000 0.249 185 G C 0.343 175.240 174.900 -0.004 0.000 0.981 185 G CA 0.170 45.268 45.100 -0.003 0.000 0.665 185 G HN 0.278 nan 8.290 nan 0.000 0.528 186 I N 1.051 121.619 120.570 -0.003 0.000 2.474 186 I HA 0.329 4.500 4.170 0.002 0.000 0.287 186 I C 0.959 177.075 176.117 -0.002 0.000 1.048 186 I CA -0.575 60.722 61.300 -0.004 0.000 1.383 186 I CB 1.026 39.024 38.000 -0.004 0.000 1.412 186 I HN -0.019 nan 8.210 nan 0.000 0.531 187 I N 8.451 129.019 120.570 -0.004 0.000 2.291 187 I HA 0.218 4.389 4.170 0.002 0.000 0.292 187 I C -2.214 173.905 176.117 0.003 0.000 1.064 187 I CA -1.784 59.517 61.300 -0.000 0.000 1.269 187 I CB 0.351 38.347 38.000 -0.007 0.000 1.418 187 I HN 0.230 nan 8.210 nan 0.000 0.485 188 P HA 0.129 nan 4.420 nan 0.000 0.281 188 P C -0.520 176.792 177.300 0.020 0.000 1.252 188 P CA -0.234 62.873 63.100 0.011 0.000 0.778 188 P CB 1.070 32.777 31.700 0.012 0.000 0.895 189 V N 5.058 124.983 119.914 0.018 0.000 2.288 189 V HA 0.135 4.256 4.120 0.002 0.000 0.266 189 V C 0.308 176.421 176.094 0.032 0.000 1.048 189 V CA -0.580 61.738 62.300 0.029 0.000 0.842 189 V CB 1.117 32.950 31.823 0.018 0.000 1.064 189 V HN 0.265 nan 8.190 nan 0.000 0.472 190 V N 4.509 124.448 119.914 0.041 0.000 2.498 190 V HA 0.271 4.392 4.120 0.002 0.000 0.279 190 V C 0.981 177.104 176.094 0.049 0.000 1.048 190 V CA -0.442 61.878 62.300 0.034 0.000 0.967 190 V CB 1.739 33.578 31.823 0.027 0.000 0.988 190 V HN 0.972 nan 8.190 nan 0.000 0.473 191 T N 2.670 117.249 114.554 0.041 0.000 2.928 191 T HA 0.250 4.602 4.350 0.002 0.000 0.305 191 T C 1.329 176.077 174.700 0.081 0.000 1.035 191 T CA 0.072 62.209 62.100 0.062 0.000 1.145 191 T CB 1.150 70.041 68.868 0.039 0.000 0.963 191 T HN 0.840 nan 8.240 nan 0.000 0.545 192 G N 2.300 111.179 108.800 0.132 0.000 2.879 192 G HA2 -0.047 3.914 3.960 0.002 0.000 0.200 192 G HA3 -0.047 3.914 3.960 0.002 0.000 0.200 192 G C 0.612 175.636 174.900 0.207 0.000 1.437 192 G CA 0.583 45.783 45.100 0.165 0.000 0.835 192 G HN 0.993 nan 8.290 nan 0.000 0.640 193 F N 2.103 122.064 119.950 0.017 0.000 2.696 193 F HA 0.506 5.034 4.527 0.002 0.000 0.296 193 F C 0.263 176.066 175.800 0.005 0.000 1.181 193 F CA -2.215 55.791 58.000 0.009 0.000 1.411 193 F CB -0.859 38.157 39.000 0.027 0.000 1.014 193 F HN 0.201 nan 8.300 nan 0.000 0.512 194 I N -1.545 118.945 120.570 -0.133 0.000 2.646 194 I HA 1.015 5.186 4.170 0.002 0.000 0.299 194 I C 0.050 176.092 176.117 -0.126 0.000 1.036 194 I CA -1.053 60.110 61.300 -0.229 0.000 1.074 194 I CB 1.853 39.724 38.000 -0.214 0.000 1.258 194 I HN 0.072 nan 8.210 nan 0.000 0.430 195 G N 2.122 110.852 108.800 -0.117 0.000 3.222 195 G HA2 0.658 4.620 3.960 0.002 0.000 0.263 195 G HA3 0.658 4.620 3.960 0.002 0.000 0.263 195 G C -1.437 173.434 174.900 -0.047 0.000 1.312 195 G CA -0.616 44.435 45.100 -0.082 0.000 0.934 195 G HN 0.676 nan 8.290 nan 0.000 0.577 196 T N -0.505 114.026 114.554 -0.039 0.000 2.909 196 T HA 0.607 4.958 4.350 0.002 0.000 0.299 196 T C 0.018 174.702 174.700 -0.026 0.000 1.073 196 T CA -0.257 61.838 62.100 -0.010 0.000 0.999 196 T CB 1.404 70.264 68.868 -0.013 0.000 1.098 196 T HN 0.500 nan 8.240 nan 0.000 0.477 197 T N 2.562 117.117 114.554 0.001 0.000 2.766 197 T HA 0.114 4.465 4.350 0.002 0.000 0.295 197 T C 1.368 176.023 174.700 -0.074 0.000 1.024 197 T CA -0.297 61.783 62.100 -0.033 0.000 1.018 197 T CB 0.636 69.532 68.868 0.047 0.000 1.002 197 T HN 0.718 nan 8.240 nan 0.000 0.532 198 E N 0.997 121.149 120.200 -0.079 0.000 2.171 198 E HA -0.156 4.195 4.350 0.002 0.000 0.197 198 E C 1.735 178.257 176.600 -0.130 0.000 0.997 198 E CA 1.193 57.541 56.400 -0.086 0.000 0.810 198 E CB 0.097 29.758 29.700 -0.066 0.000 0.738 198 E HN 0.684 nan 8.360 nan 0.000 0.467 199 E N -1.486 118.583 120.200 -0.218 0.000 2.451 199 E HA 0.135 4.486 4.350 0.002 0.000 0.194 199 E C 0.858 177.193 176.600 -0.442 0.000 1.027 199 E CA 0.520 56.711 56.400 -0.348 0.000 0.914 199 E CB 0.421 29.836 29.700 -0.475 0.000 1.054 199 E HN 0.246 nan 8.360 nan 0.000 0.461 200 G N 1.195 109.841 108.800 -0.257 0.000 2.159 200 G HA2 -0.294 3.668 3.960 0.002 0.000 0.256 200 G HA3 -0.294 3.668 3.960 0.002 0.000 0.256 200 G C -0.309 174.573 174.900 -0.029 0.000 0.977 200 G CA 0.055 45.072 45.100 -0.137 0.000 0.652 200 G HN 0.267 nan 8.290 nan 0.000 0.531 201 Y N 0.561 120.904 120.300 0.071 0.000 2.544 201 Y HA 0.468 5.019 4.550 0.002 0.000 0.330 201 Y C 1.627 177.623 175.900 0.160 0.000 1.136 201 Y CA -1.372 56.808 58.100 0.133 0.000 1.417 201 Y CB 0.187 38.799 38.460 0.254 0.000 1.229 201 Y HN 0.207 nan 8.280 nan 0.000 0.532 202 I N 2.769 123.533 120.570 0.324 0.000 2.752 202 I HA 0.018 4.189 4.170 0.002 0.000 0.287 202 I C 0.621 176.891 176.117 0.254 0.000 1.188 202 I CA 0.887 62.312 61.300 0.210 0.000 1.427 202 I CB 0.527 38.630 38.000 0.172 0.000 1.365 202 I HN 0.595 nan 8.210 nan 0.000 0.585 203 T N 3.901 118.521 114.554 0.110 0.000 2.916 203 T HA 0.440 4.791 4.350 0.002 0.000 0.305 203 T C -0.501 174.139 174.700 -0.100 0.000 1.119 203 T CA -0.576 61.578 62.100 0.089 0.000 1.008 203 T CB 1.360 70.228 68.868 0.001 0.000 1.129 203 T HN 0.749 nan 8.240 nan 0.000 0.480 204 T N 1.420 115.889 114.554 -0.142 0.000 2.925 204 T HA 0.604 4.955 4.350 0.002 0.000 0.285 204 T C 0.882 175.479 174.700 -0.171 0.000 1.021 204 T CA -0.899 60.964 62.100 -0.394 0.000 1.042 204 T CB 0.922 69.397 68.868 -0.656 0.000 1.037 204 T HN 0.441 nan 8.240 nan 0.000 0.481 205 L N 1.295 122.443 121.223 -0.126 0.000 2.628 205 L HA 0.473 4.815 4.340 0.002 0.000 0.229 205 L C 1.307 178.267 176.870 0.150 0.000 1.137 205 L CA -0.062 54.819 54.840 0.067 0.000 0.909 205 L CB -0.778 41.356 42.059 0.125 0.000 1.137 205 L HN 1.229 nan 8.230 nan 0.000 0.470 206 G N 0.434 109.371 108.800 0.227 0.000 2.629 206 G HA2 -0.134 3.828 3.960 0.002 0.000 0.686 206 G HA3 -0.134 3.828 3.960 0.002 0.000 0.686 206 G C -0.740 174.397 174.900 0.395 0.000 1.232 206 G CA -1.129 44.143 45.100 0.288 0.000 0.803 206 G HN 0.009 nan 8.290 nan 0.000 0.638 207 R N 0.434 121.114 120.500 0.300 0.000 2.570 207 R HA 0.460 4.801 4.340 0.002 0.000 0.277 207 R C 1.656 178.078 176.300 0.204 0.000 1.039 207 R CA 0.914 57.116 56.100 0.169 0.000 1.065 207 R CB 0.169 30.530 30.300 0.101 0.000 0.964 207 R HN 2.473 nan 8.270 nan 0.000 0.428 208 G N 1.521 110.361 108.800 0.067 0.000 2.159 208 G HA2 -0.285 3.676 3.960 0.002 0.000 0.256 208 G HA3 -0.285 3.676 3.960 0.002 0.000 0.256 208 G C 1.009 175.990 174.900 0.136 0.000 0.977 208 G CA 0.494 45.684 45.100 0.150 0.000 0.652 208 G HN 0.750 nan 8.290 nan 0.000 0.531 209 G N 0.277 109.121 108.800 0.073 0.000 2.498 209 G HA2 0.082 4.044 3.960 0.002 0.000 0.219 209 G HA3 0.082 4.044 3.960 0.002 0.000 0.219 209 G C 1.788 176.764 174.900 0.127 0.000 1.119 209 G CA 1.878 46.992 45.100 0.023 0.000 0.766 209 G HN 0.723 nan 8.290 nan 0.000 0.552 210 S N 0.757 116.542 115.700 0.143 0.000 2.387 210 S HA -0.138 4.333 4.470 0.002 0.000 0.230 210 S C 2.038 176.705 174.600 0.113 0.000 1.035 210 S CA 1.431 59.711 58.200 0.134 0.000 1.014 210 S CB -0.218 63.046 63.200 0.107 0.000 0.836 210 S HN 0.405 nan 8.310 nan 0.000 0.466 211 D N 0.029 120.503 120.400 0.123 0.000 2.104 211 D HA -0.115 4.527 4.640 0.002 0.000 0.194 211 D C 1.625 178.029 176.300 0.172 0.000 0.994 211 D CA 1.035 55.119 54.000 0.140 0.000 0.830 211 D CB -0.446 40.459 40.800 0.174 0.000 0.959 211 D HN 0.433 nan 8.370 nan 0.000 0.452 212 Y N 1.937 122.229 120.300 -0.012 0.000 2.224 212 Y HA -0.179 4.373 4.550 0.002 0.000 0.289 212 Y C 2.346 178.238 175.900 -0.015 0.000 1.146 212 Y CA 0.933 59.011 58.100 -0.036 0.000 1.182 212 Y CB -0.461 37.904 38.460 -0.160 0.000 0.983 212 Y HN -0.145 nan 8.280 nan 0.000 0.524 213 S N 0.354 116.022 115.700 -0.054 0.000 2.370 213 S HA -0.216 4.256 4.470 0.002 0.000 0.226 213 S C 2.354 176.922 174.600 -0.054 0.000 1.033 213 S CA 1.222 59.350 58.200 -0.119 0.000 1.011 213 S CB -0.867 62.319 63.200 -0.023 0.000 0.852 213 S HN 0.613 nan 8.310 nan 0.000 0.457 214 A N 1.548 124.380 122.820 0.020 0.000 1.908 214 A HA 0.061 4.382 4.320 0.002 0.000 0.218 214 A C 2.348 179.960 177.584 0.045 0.000 1.181 214 A CA 1.797 53.858 52.037 0.040 0.000 0.627 214 A CB -1.053 17.982 19.000 0.058 0.000 0.818 214 A HN 0.528 nan 8.150 nan 0.000 0.445 215 A N -0.386 122.473 122.820 0.065 0.000 1.898 215 A HA 0.045 4.367 4.320 0.002 0.000 0.216 215 A C 2.162 179.785 177.584 0.066 0.000 1.181 215 A CA 1.338 53.432 52.037 0.096 0.000 0.620 215 A CB -0.572 18.527 19.000 0.165 0.000 0.819 215 A HN 0.458 nan 8.150 nan 0.000 0.442 216 L N -0.539 120.650 121.223 -0.056 0.000 1.989 216 L HA -0.210 4.131 4.340 0.002 0.000 0.211 216 L C 2.511 179.387 176.870 0.009 0.000 1.071 216 L CA 1.539 56.313 54.840 -0.110 0.000 0.749 216 L CB -0.546 41.318 42.059 -0.324 0.000 0.890 216 L HN 0.363 nan 8.230 nan 0.000 0.431 217 I N -0.365 120.201 120.570 -0.006 0.000 2.226 217 I HA -0.216 3.955 4.170 0.002 0.000 0.245 217 I C 2.636 178.785 176.117 0.053 0.000 1.100 217 I CA 1.382 62.695 61.300 0.022 0.000 1.374 217 I CB -0.854 37.153 38.000 0.011 0.000 1.057 217 I HN 0.302 nan 8.210 nan 0.000 0.413 218 G N 0.072 108.911 108.800 0.065 0.000 2.491 218 G HA2 -0.359 3.602 3.960 0.002 0.000 0.218 218 G HA3 -0.359 3.602 3.960 0.002 0.000 0.218 218 G C 1.645 176.597 174.900 0.086 0.000 1.180 218 G CA 1.059 46.202 45.100 0.071 0.000 0.774 218 G HN 0.402 nan 8.290 nan 0.000 0.562 219 Y N 1.752 122.046 120.300 -0.009 0.000 2.114 219 Y HA -0.120 4.431 4.550 0.002 0.000 0.282 219 Y C 2.862 178.752 175.900 -0.017 0.000 1.165 219 Y CA 2.025 60.117 58.100 -0.014 0.000 1.148 219 Y CB -0.500 37.949 38.460 -0.018 0.000 0.972 219 Y HN 0.147 nan 8.280 nan 0.000 0.504 220 G N 0.000 108.935 108.800 0.224 0.000 2.422 220 G HA2 -0.220 3.742 3.960 0.002 0.000 0.218 220 G HA3 -0.220 3.742 3.960 0.002 0.000 0.218 220 G C 1.409 176.316 174.900 0.011 0.000 1.146 220 G CA 1.175 46.349 45.100 0.124 0.000 0.769 220 G HN 0.457 nan 8.290 nan 0.000 0.547 221 L N 0.111 121.337 121.223 0.004 0.000 2.592 221 L HA 0.168 4.509 4.340 0.002 0.000 0.227 221 L C 0.263 177.110 176.870 -0.037 0.000 1.127 221 L CA -0.061 54.772 54.840 -0.012 0.000 0.884 221 L CB -0.055 42.007 42.059 0.005 0.000 1.065 221 L HN 0.108 nan 8.230 nan 0.000 0.457 222 D N 1.041 121.394 120.400 -0.078 0.000 2.689 222 D HA -0.170 4.471 4.640 0.002 0.000 0.237 222 D C 0.636 176.911 176.300 -0.042 0.000 1.148 222 D CA 0.806 54.751 54.000 -0.092 0.000 0.656 222 D CB -0.513 40.232 40.800 -0.092 0.000 1.050 222 D HN 0.378 nan 8.370 nan 0.000 0.426 223 A N 0.261 123.071 122.820 -0.017 0.000 2.448 223 A HA 0.042 4.363 4.320 0.002 0.000 0.239 223 A C 1.361 178.951 177.584 0.011 0.000 1.080 223 A CA 0.207 52.248 52.037 0.006 0.000 0.779 223 A CB 0.509 19.524 19.000 0.025 0.000 1.026 223 A HN 0.137 nan 8.150 nan 0.000 0.499 224 D N -0.428 119.983 120.400 0.018 0.000 2.234 224 D HA 0.110 4.751 4.640 0.002 0.000 0.205 224 D C 0.196 176.515 176.300 0.033 0.000 0.962 224 D CA 1.404 55.417 54.000 0.021 0.000 0.855 224 D CB 0.249 41.061 40.800 0.020 0.000 0.951 224 D HN 0.484 nan 8.370 nan 0.000 0.500 225 I N 0.184 120.778 120.570 0.040 0.000 2.787 225 I HA 0.221 4.393 4.170 0.002 0.000 0.294 225 I C -1.746 174.404 176.117 0.055 0.000 1.365 225 I CA -0.637 60.691 61.300 0.048 0.000 1.029 225 I CB 2.452 40.477 38.000 0.042 0.000 1.313 225 I HN -0.330 nan 8.210 nan 0.000 0.431 226 I N 6.168 126.773 120.570 0.059 0.000 2.339 226 I HA 0.350 4.521 4.170 0.002 0.000 0.290 226 I C -0.550 175.588 176.117 0.036 0.000 0.994 226 I CA -0.314 61.020 61.300 0.058 0.000 1.191 226 I CB 1.492 39.536 38.000 0.073 0.000 1.343 226 I HN 0.437 nan 8.210 nan 0.000 0.458 227 E N 6.675 126.900 120.200 0.042 0.000 2.133 227 E HA 0.410 4.762 4.350 0.002 0.000 0.274 227 E C -0.844 175.734 176.600 -0.036 0.000 0.930 227 E CA -0.689 55.709 56.400 -0.004 0.000 0.770 227 E CB 1.842 31.631 29.700 0.148 0.000 1.104 227 E HN 0.351 nan 8.360 nan 0.000 0.403 228 I N 3.630 124.113 120.570 -0.145 0.000 2.306 228 I HA 0.176 4.347 4.170 0.002 0.000 0.288 228 I C -0.672 175.304 176.117 -0.234 0.000 1.036 228 I CA -0.584 60.650 61.300 -0.110 0.000 1.221 228 I CB -0.215 37.759 38.000 -0.043 0.000 1.385 228 I HN 0.478 nan 8.210 nan 0.000 0.472 229 W N 5.876 127.019 121.300 -0.261 0.000 2.316 229 W HA 0.488 5.149 4.660 0.002 0.000 0.308 229 W C 0.920 177.422 176.519 -0.028 0.000 1.106 229 W CA -0.035 57.189 57.345 -0.202 0.000 1.262 229 W CB 1.386 30.543 29.460 -0.505 0.000 1.233 229 W HN 0.435 nan 8.180 nan 0.000 0.447 230 T N 0.791 115.476 114.554 0.218 0.000 2.591 230 T HA 0.201 4.552 4.350 0.002 0.000 0.274 230 T C -0.104 174.778 174.700 0.303 0.000 0.945 230 T CA -0.462 61.770 62.100 0.221 0.000 1.087 230 T CB 0.927 69.875 68.868 0.134 0.000 1.416 230 T HN 0.368 nan 8.240 nan 0.000 0.514 231 D N 0.547 121.116 120.400 0.283 0.000 2.424 231 D HA 0.309 4.951 4.640 0.002 0.000 0.220 231 D C 0.338 176.755 176.300 0.196 0.000 1.150 231 D CA -0.216 53.993 54.000 0.348 0.000 0.831 231 D CB -0.236 40.724 40.800 0.267 0.000 0.981 231 D HN 0.454 nan 8.370 nan 0.000 0.500 232 V N -4.098 115.918 119.914 0.169 0.000 3.078 232 V HA 0.607 4.728 4.120 0.002 0.000 0.311 232 V C -0.070 176.169 176.094 0.241 0.000 1.138 232 V CA -1.085 61.303 62.300 0.145 0.000 1.007 232 V CB 1.854 33.684 31.823 0.011 0.000 1.045 232 V HN -0.105 nan 8.190 nan 0.000 0.432 233 S N 2.307 118.231 115.700 0.373 0.000 3.983 233 S HA 0.656 5.127 4.470 0.002 0.000 0.194 233 S C 0.710 175.381 174.600 0.118 0.000 1.464 233 S CA 0.457 58.786 58.200 0.216 0.000 1.021 233 S CB -0.793 62.514 63.200 0.179 0.000 1.424 233 S HN 2.017 nan 8.310 nan 0.000 0.473 234 G N 0.597 109.460 108.800 0.105 0.000 2.512 234 G HA2 -0.166 3.795 3.960 0.002 0.000 0.210 234 G HA3 -0.166 3.795 3.960 0.002 0.000 0.210 234 G C -0.779 174.191 174.900 0.117 0.000 1.295 234 G CA -0.747 44.359 45.100 0.010 0.000 0.934 234 G HN 0.521 nan 8.290 nan 0.000 0.554 235 V N 1.042 120.972 119.914 0.027 0.000 2.432 235 V HA 0.589 4.710 4.120 0.002 0.000 0.275 235 V C 0.045 176.167 176.094 0.047 0.000 1.043 235 V CA -0.281 62.077 62.300 0.097 0.000 0.925 235 V CB 0.785 32.634 31.823 0.043 0.000 0.985 235 V HN 0.603 nan 8.190 nan 0.000 0.466 236 Y N 1.692 122.007 120.300 0.025 0.000 2.519 236 Y HA 0.252 4.803 4.550 0.002 0.000 0.324 236 Y C 2.049 177.986 175.900 0.062 0.000 1.214 236 Y CA -0.164 57.961 58.100 0.042 0.000 1.260 236 Y CB 1.619 40.105 38.460 0.043 0.000 1.311 236 Y HN 0.775 nan 8.280 nan 0.000 0.505 237 T N -3.044 111.657 114.554 0.245 0.000 2.849 237 T HA -0.102 4.250 4.350 0.002 0.000 0.270 237 T C 0.647 175.497 174.700 0.251 0.000 1.066 237 T CA 1.759 63.988 62.100 0.215 0.000 1.130 237 T CB -0.208 68.808 68.868 0.246 0.000 0.864 237 T HN 0.641 nan 8.240 nan 0.000 0.481 238 T N -0.341 114.363 114.554 0.251 0.000 2.648 238 T HA 0.317 4.668 4.350 0.002 0.000 0.304 238 T C -2.143 172.606 174.700 0.081 0.000 1.312 238 T CA -0.714 61.472 62.100 0.144 0.000 1.023 238 T CB 1.465 70.406 68.868 0.123 0.000 1.612 238 T HN 0.072 nan 8.240 nan 0.000 0.487 239 D N 2.026 122.437 120.400 0.017 0.000 2.363 239 D HA 0.226 4.867 4.640 0.002 0.000 0.263 239 D C -1.259 174.984 176.300 -0.095 0.000 1.258 239 D CA -1.857 52.123 54.000 -0.032 0.000 0.907 239 D CB 1.453 42.236 40.800 -0.028 0.000 1.107 239 D HN 0.184 nan 8.370 nan 0.000 0.495 240 P HA -0.092 nan 4.420 nan 0.000 0.228 240 P C 0.840 178.038 177.300 -0.170 0.000 1.151 240 P CA 0.632 63.590 63.100 -0.237 0.000 0.770 240 P CB 0.319 31.706 31.700 -0.522 0.000 0.786 241 R N -0.973 119.447 120.500 -0.134 0.000 2.276 241 R HA 0.210 4.551 4.340 0.002 0.000 0.196 241 R C 2.150 178.405 176.300 -0.075 0.000 0.961 241 R CA 0.375 56.416 56.100 -0.097 0.000 1.024 241 R CB -0.146 30.105 30.300 -0.081 0.000 0.940 241 R HN 0.279 nan 8.270 nan 0.000 0.480 242 L N -0.373 120.804 121.223 -0.076 0.000 2.362 242 L HA 0.166 4.508 4.340 0.002 0.000 0.204 242 L C 0.366 177.188 176.870 -0.079 0.000 1.060 242 L CA 0.510 55.312 54.840 -0.062 0.000 0.827 242 L CB 0.533 42.563 42.059 -0.048 0.000 1.027 242 L HN -0.145 nan 8.230 nan 0.000 0.474 243 V N 1.068 120.912 119.914 -0.118 0.000 2.340 243 V HA 0.214 4.335 4.120 0.002 0.000 0.277 243 V C -1.870 174.122 176.094 -0.169 0.000 1.017 243 V CA -0.810 61.389 62.300 -0.169 0.000 0.820 243 V CB 1.312 32.955 31.823 -0.299 0.000 1.028 243 V HN -0.007 nan 8.190 nan 0.000 0.436 244 P HA -0.071 nan 4.420 nan 0.000 0.226 244 P C 1.458 178.735 177.300 -0.039 0.000 1.153 244 P CA 0.962 64.016 63.100 -0.076 0.000 0.777 244 P CB 0.034 31.703 31.700 -0.051 0.000 0.794 245 T N -3.572 110.956 114.554 -0.042 0.000 3.252 245 T HA 0.355 4.706 4.350 0.002 0.000 0.250 245 T C 0.849 175.630 174.700 0.135 0.000 1.123 245 T CA -0.303 61.824 62.100 0.045 0.000 1.006 245 T CB -0.822 68.093 68.868 0.079 0.000 0.992 245 T HN 0.023 nan 8.240 nan 0.000 0.547 246 A N 1.869 124.717 122.820 0.046 0.000 2.445 246 A HA 0.519 4.840 4.320 0.002 0.000 0.242 246 A C 0.484 178.309 177.584 0.401 0.000 1.075 246 A CA -0.505 51.669 52.037 0.228 0.000 0.777 246 A CB 0.294 19.370 19.000 0.126 0.000 1.013 246 A HN 0.536 nan 8.150 nan 0.000 0.493 247 R N 0.999 121.728 120.500 0.381 0.000 2.637 247 R HA 0.329 4.670 4.340 0.002 0.000 0.291 247 R C -0.088 176.143 176.300 -0.115 0.000 0.963 247 R CA -0.853 55.350 56.100 0.171 0.000 0.901 247 R CB 1.878 32.231 30.300 0.089 0.000 1.160 247 R HN 0.880 nan 8.270 nan 0.000 0.457 248 R N 3.107 123.311 120.500 -0.494 0.000 2.522 248 R HA 0.093 4.434 4.340 0.002 0.000 0.284 248 R C -0.478 175.625 176.300 -0.329 0.000 1.032 248 R CA 0.134 55.767 56.100 -0.779 0.000 1.049 248 R CB 0.300 30.193 30.300 -0.678 0.000 0.956 248 R HN 0.516 nan 8.270 nan 0.000 0.422 249 I N 8.692 129.104 120.570 -0.264 0.000 2.291 249 I HA 0.190 4.361 4.170 0.002 0.000 0.290 249 I C -1.600 174.435 176.117 -0.137 0.000 1.050 249 I CA -2.446 58.769 61.300 -0.142 0.000 1.245 249 I CB 1.798 39.747 38.000 -0.085 0.000 1.405 249 I HN 0.550 nan 8.210 nan 0.000 0.478 250 P HA -0.091 nan 4.420 nan 0.000 0.215 250 P C -0.222 177.023 177.300 -0.091 0.000 1.153 250 P CA 1.382 64.421 63.100 -0.102 0.000 0.853 250 P CB 0.244 31.896 31.700 -0.080 0.000 0.788 251 K N -0.831 119.519 120.400 -0.082 0.000 2.427 251 K HA 0.556 4.877 4.320 0.002 0.000 0.252 251 K C -1.442 175.110 176.600 -0.081 0.000 0.931 251 K CA -0.745 55.491 56.287 -0.083 0.000 0.793 251 K CB 1.916 34.370 32.500 -0.076 0.000 1.211 251 K HN -0.210 nan 8.250 nan 0.000 0.426 252 L N 1.421 122.587 121.223 -0.095 0.000 2.434 252 L HA 0.405 4.746 4.340 0.002 0.000 0.260 252 L C -0.531 176.260 176.870 -0.131 0.000 0.983 252 L CA -0.292 54.496 54.840 -0.086 0.000 0.820 252 L CB 2.240 44.264 42.059 -0.059 0.000 1.361 252 L HN 0.796 nan 8.230 nan 0.000 0.410 253 S N 1.543 117.179 115.700 -0.106 0.000 2.632 253 S HA 0.301 4.772 4.470 0.002 0.000 0.267 253 S C 1.012 175.557 174.600 -0.092 0.000 1.276 253 S CA -0.202 57.912 58.200 -0.144 0.000 0.998 253 S CB 0.466 63.627 63.200 -0.066 0.000 0.953 253 S HN 0.459 nan 8.310 nan 0.000 0.547 254 Y N 0.623 120.924 120.300 0.001 0.000 2.081 254 Y HA -0.121 4.430 4.550 0.002 0.000 0.280 254 Y C 2.329 178.229 175.900 0.001 0.000 1.163 254 Y CA 1.451 59.554 58.100 0.005 0.000 1.135 254 Y CB -0.915 37.549 38.460 0.008 0.000 0.970 254 Y HN 0.675 nan 8.280 nan 0.000 0.498 255 I N 0.372 121.038 120.570 0.160 0.000 2.226 255 I HA -0.251 3.920 4.170 0.002 0.000 0.245 255 I C 2.041 178.194 176.117 0.059 0.000 1.100 255 I CA 1.560 62.909 61.300 0.081 0.000 1.374 255 I CB -0.565 37.467 38.000 0.053 0.000 1.057 255 I HN 0.248 nan 8.210 nan 0.000 0.413 256 E N 0.319 120.546 120.200 0.046 0.000 2.051 256 E HA -0.231 4.121 4.350 0.002 0.000 0.192 256 E C 2.254 178.885 176.600 0.051 0.000 0.991 256 E CA 1.392 57.813 56.400 0.036 0.000 0.799 256 E CB -0.371 29.334 29.700 0.008 0.000 0.748 256 E HN 0.633 nan 8.360 nan 0.000 0.449 257 A N 1.033 123.885 122.820 0.053 0.000 1.898 257 A HA -0.181 4.140 4.320 0.002 0.000 0.216 257 A C 2.127 179.756 177.584 0.075 0.000 1.181 257 A CA 1.340 53.414 52.037 0.063 0.000 0.620 257 A CB -0.467 18.572 19.000 0.065 0.000 0.819 257 A HN 0.233 nan 8.150 nan 0.000 0.442 258 M N -0.605 119.040 119.600 0.075 0.000 2.108 258 M HA -0.176 4.305 4.480 0.002 0.000 0.261 258 M C 1.949 178.278 176.300 0.048 0.000 1.066 258 M CA 1.829 57.157 55.300 0.046 0.000 1.107 258 M CB -0.217 32.392 32.600 0.014 0.000 1.356 258 M HN 0.412 nan 8.290 nan 0.000 0.406 259 E N 0.381 120.626 120.200 0.076 0.000 2.051 259 E HA -0.198 4.153 4.350 0.002 0.000 0.192 259 E C 2.116 178.884 176.600 0.280 0.000 0.991 259 E CA 1.312 57.820 56.400 0.180 0.000 0.799 259 E CB -0.580 29.245 29.700 0.209 0.000 0.748 259 E HN 0.570 nan 8.360 nan 0.000 0.449 260 L N 0.619 121.952 121.223 0.184 0.000 2.012 260 L HA -0.223 4.119 4.340 0.002 0.000 0.210 260 L C 2.604 179.550 176.870 0.126 0.000 1.073 260 L CA 1.339 56.275 54.840 0.160 0.000 0.748 260 L CB -0.547 41.572 42.059 0.099 0.000 0.891 260 L HN 0.100 nan 8.230 nan 0.000 0.431 261 A N -0.868 122.003 122.820 0.084 0.000 1.877 261 A HA -0.316 4.005 4.320 0.002 0.000 0.216 261 A C 2.150 179.722 177.584 -0.019 0.000 1.186 261 A CA 1.748 53.803 52.037 0.030 0.000 0.620 261 A CB -1.077 17.938 19.000 0.025 0.000 0.822 261 A HN 0.486 nan 8.150 nan 0.000 0.443 262 Y N -0.914 119.280 120.300 -0.178 0.000 2.193 262 Y HA -0.199 4.352 4.550 0.002 0.000 0.285 262 Y C 1.199 176.847 175.900 -0.420 0.000 1.166 262 Y CA 1.799 59.680 58.100 -0.366 0.000 1.181 262 Y CB -0.241 37.914 38.460 -0.509 0.000 0.976 262 Y HN 0.266 nan 8.280 nan 0.000 0.520 263 F N -0.444 119.511 119.950 0.009 0.000 2.639 263 F HA 0.366 4.895 4.527 0.002 0.000 0.300 263 F C 1.461 177.210 175.800 -0.084 0.000 1.109 263 F CA 0.408 58.366 58.000 -0.069 0.000 1.335 263 F CB 0.633 39.638 39.000 0.008 0.000 1.014 263 F HN 0.135 nan 8.300 nan 0.000 0.537 264 G N -0.370 108.452 108.800 0.035 0.000 2.227 264 G HA2 -0.046 3.916 3.960 0.002 0.000 0.168 264 G HA3 -0.046 3.916 3.960 0.002 0.000 0.168 264 G C 0.361 175.268 174.900 0.012 0.000 1.006 264 G CA -0.344 44.758 45.100 0.003 0.000 0.684 264 G HN 0.475 nan 8.290 nan 0.000 0.489 265 A N 1.154 123.994 122.820 0.033 0.000 2.906 265 A HA 0.579 4.901 4.320 0.002 0.000 0.289 265 A C 1.398 178.997 177.584 0.025 0.000 1.675 265 A CA 1.152 53.212 52.037 0.039 0.000 1.372 265 A CB -0.043 18.994 19.000 0.062 0.000 1.091 265 A HN 0.392 nan 8.150 nan 0.000 0.579 266 K N 1.368 121.776 120.400 0.013 0.000 2.228 266 K HA -0.196 4.125 4.320 0.002 0.000 0.205 266 K C 1.643 178.266 176.600 0.038 0.000 1.045 266 K CA 1.971 58.266 56.287 0.013 0.000 0.931 266 K CB -0.438 32.068 32.500 0.010 0.000 0.727 266 K HN 0.690 nan 8.250 nan 0.000 0.458 267 V N 0.147 120.090 119.914 0.049 0.000 2.428 267 V HA -0.187 3.934 4.120 0.002 0.000 0.255 267 V C 1.249 177.386 176.094 0.072 0.000 1.080 267 V CA 1.421 63.759 62.300 0.065 0.000 1.083 267 V CB -0.783 31.086 31.823 0.076 0.000 0.665 267 V HN 0.135 nan 8.190 nan 0.000 0.461 268 L N 0.078 121.343 121.223 0.070 0.000 2.385 268 L HA 0.496 4.837 4.340 0.002 0.000 0.273 268 L C 0.024 176.950 176.870 0.092 0.000 0.990 268 L CA -0.643 54.252 54.840 0.091 0.000 0.821 268 L CB 1.824 43.932 42.059 0.082 0.000 1.279 268 L HN 0.207 nan 8.230 nan 0.000 0.412 269 H N 4.660 123.757 119.070 0.045 0.000 2.897 269 H HA 0.057 4.615 4.556 0.002 0.000 0.347 269 H C -1.907 173.425 175.328 0.006 0.000 1.068 269 H CA -0.920 55.144 56.048 0.027 0.000 1.426 269 H CB 1.860 31.653 29.762 0.052 0.000 1.410 269 H HN 0.354 nan 8.280 nan 0.000 0.597 270 P HA -0.095 nan 4.420 nan 0.000 0.218 270 P C 1.058 178.362 177.300 0.006 0.000 1.148 270 P CA 1.474 64.522 63.100 -0.087 0.000 0.822 270 P CB 0.137 31.762 31.700 -0.126 0.000 0.784 271 R N -1.233 119.322 120.500 0.092 0.000 2.339 271 R HA 0.043 4.384 4.340 0.002 0.000 0.199 271 R C 1.670 177.945 176.300 -0.041 0.000 1.018 271 R CA 0.928 56.909 56.100 -0.198 0.000 1.036 271 R CB -0.803 28.963 30.300 -0.889 0.000 0.899 271 R HN 0.245 nan 8.270 nan 0.000 0.473 272 T N 1.017 115.657 114.554 0.143 0.000 2.788 272 T HA -0.113 4.238 4.350 0.002 0.000 0.268 272 T C 1.682 176.465 174.700 0.138 0.000 1.044 272 T CA 1.052 63.270 62.100 0.197 0.000 1.139 272 T CB -0.049 68.924 68.868 0.176 0.000 0.867 272 T HN 0.063 nan 8.240 nan 0.000 0.454 273 I N 1.060 121.683 120.570 0.088 0.000 2.233 273 I HA -0.049 4.122 4.170 0.002 0.000 0.243 273 I C 2.521 178.621 176.117 -0.028 0.000 1.093 273 I CA 1.131 62.471 61.300 0.067 0.000 1.380 273 I CB -0.494 37.561 38.000 0.092 0.000 1.067 273 I HN 0.218 nan 8.210 nan 0.000 0.413 274 E N 0.318 120.499 120.200 -0.031 0.000 2.065 274 E HA -0.253 4.099 4.350 0.002 0.000 0.201 274 E C -0.405 176.164 176.600 -0.051 0.000 1.016 274 E CA 2.068 58.430 56.400 -0.063 0.000 0.818 274 E CB -1.183 28.483 29.700 -0.057 0.000 0.749 274 E HN 0.396 nan 8.360 nan 0.000 0.453 275 P HA -0.141 nan 4.420 nan 0.000 0.216 275 P C 0.969 178.365 177.300 0.159 0.000 1.153 275 P CA 1.819 64.958 63.100 0.064 0.000 0.848 275 P CB -0.004 31.717 31.700 0.035 0.000 0.787 276 A N -0.669 122.175 122.820 0.040 0.000 1.898 276 A HA -0.181 4.140 4.320 0.002 0.000 0.216 276 A C 2.294 179.679 177.584 -0.331 0.000 1.181 276 A CA 1.808 53.828 52.037 -0.028 0.000 0.620 276 A CB -1.503 17.532 19.000 0.057 0.000 0.819 276 A HN 0.132 nan 8.150 nan 0.000 0.442 277 M N 0.292 119.507 119.600 -0.642 0.000 2.086 277 M HA -0.213 4.268 4.480 0.002 0.000 0.261 277 M C 2.023 178.064 176.300 -0.432 0.000 1.067 277 M CA 2.408 57.054 55.300 -1.091 0.000 1.116 277 M CB -0.282 31.893 32.600 -0.708 0.000 1.348 277 M HN 0.643 nan 8.290 nan 0.000 0.407 278 E N -0.640 119.457 120.200 -0.172 0.000 2.482 278 E HA -0.125 4.226 4.350 0.002 0.000 0.196 278 E C 1.069 177.668 176.600 -0.001 0.000 1.047 278 E CA 0.696 57.075 56.400 -0.036 0.000 0.869 278 E CB -0.068 29.658 29.700 0.044 0.000 0.836 278 E HN 0.499 nan 8.360 nan 0.000 0.520 279 K N -0.027 120.358 120.400 -0.026 0.000 2.413 279 K HA 0.149 4.471 4.320 0.002 0.000 0.204 279 K C 0.525 177.109 176.600 -0.027 0.000 1.041 279 K CA 0.324 56.576 56.287 -0.058 0.000 1.082 279 K CB 1.114 33.523 32.500 -0.151 0.000 0.871 279 K HN 0.257 nan 8.250 nan 0.000 0.535 280 G N 2.592 111.382 108.800 -0.016 0.000 2.305 280 G HA2 -0.266 3.695 3.960 0.002 0.000 0.287 280 G HA3 -0.266 3.695 3.960 0.002 0.000 0.287 280 G C 0.035 175.023 174.900 0.147 0.000 1.036 280 G CA 0.152 45.319 45.100 0.111 0.000 0.887 280 G HN 0.287 nan 8.290 nan 0.000 0.505 281 I N 2.085 122.723 120.570 0.113 0.000 2.396 281 I HA 0.236 4.407 4.170 0.002 0.000 0.289 281 I C -1.325 174.928 176.117 0.227 0.000 1.056 281 I CA -2.221 59.152 61.300 0.123 0.000 1.365 281 I CB 1.038 39.082 38.000 0.073 0.000 1.407 281 I HN -0.026 nan 8.210 nan 0.000 0.509 282 P HA 0.200 nan 4.420 nan 0.000 0.271 282 P C -0.665 176.703 177.300 0.114 0.000 1.218 282 P CA 0.076 63.254 63.100 0.130 0.000 0.780 282 P CB 1.003 32.728 31.700 0.042 0.000 0.901 283 I N 2.659 123.287 120.570 0.096 0.000 2.362 283 I HA 0.259 4.430 4.170 0.002 0.000 0.289 283 I C 0.005 176.115 176.117 -0.013 0.000 0.994 283 I CA -0.958 60.379 61.300 0.061 0.000 1.158 283 I CB 1.589 39.651 38.000 0.104 0.000 1.315 283 I HN 0.149 nan 8.210 nan 0.000 0.451 284 L N 8.679 129.874 121.223 -0.046 0.000 2.276 284 L HA 0.475 4.816 4.340 0.002 0.000 0.286 284 L C -0.577 176.181 176.870 -0.186 0.000 1.024 284 L CA -0.360 54.414 54.840 -0.111 0.000 0.826 284 L CB 1.383 43.374 42.059 -0.112 0.000 1.211 284 L HN 0.284 nan 8.230 nan 0.000 0.422 285 V N 5.805 125.614 119.914 -0.175 0.000 2.406 285 V HA 0.487 4.609 4.120 0.002 0.000 0.272 285 V C 0.210 176.125 176.094 -0.297 0.000 1.043 285 V CA -0.551 61.628 62.300 -0.202 0.000 0.915 285 V CB 0.880 32.650 31.823 -0.089 0.000 0.988 285 V HN 0.709 nan 8.190 nan 0.000 0.466 286 K N 2.923 123.027 120.400 -0.493 0.000 2.444 286 K HA 0.455 4.776 4.320 0.002 0.000 0.252 286 K C -0.815 175.575 176.600 -0.350 0.000 0.993 286 K CA -1.053 54.860 56.287 -0.624 0.000 0.847 286 K CB 2.076 33.748 32.500 -1.380 0.000 1.340 286 K HN 0.535 nan 8.250 nan 0.000 0.446 287 N N 1.100 119.727 118.700 -0.122 0.000 2.426 287 N HA 0.042 4.783 4.740 0.002 0.000 0.275 287 N C 0.609 176.352 175.510 0.390 0.000 1.019 287 N CA 0.024 53.178 53.050 0.173 0.000 0.941 287 N CB 1.579 40.190 38.487 0.207 0.000 1.123 287 N HN 0.682 nan 8.380 nan 0.000 0.486 288 T N 0.914 115.762 114.554 0.489 0.000 2.951 288 T HA -0.003 4.349 4.350 0.002 0.000 0.268 288 T C 1.281 176.075 174.700 0.156 0.000 1.073 288 T CA 0.947 63.320 62.100 0.455 0.000 1.134 288 T CB -0.395 68.601 68.868 0.214 0.000 0.884 288 T HN 0.385 nan 8.240 nan 0.000 0.479 289 F N 1.059 121.188 119.950 0.298 0.000 2.789 289 F HA 0.483 5.011 4.527 0.002 0.000 0.300 289 F C 1.108 177.000 175.800 0.154 0.000 1.132 289 F CA -0.237 57.855 58.000 0.154 0.000 1.404 289 F CB 0.194 39.242 39.000 0.080 0.000 1.114 289 F HN 0.188 nan 8.300 nan 0.000 0.584 290 E N 0.080 120.480 120.200 0.333 0.000 3.544 290 E HA 0.210 4.562 4.350 0.002 0.000 0.264 290 E C -2.045 174.700 176.600 0.242 0.000 1.225 290 E CA -1.601 54.946 56.400 0.246 0.000 1.045 290 E CB 0.423 30.241 29.700 0.197 0.000 1.338 290 E HN -0.134 nan 8.360 nan 0.000 0.395 291 P HA -0.062 nan 4.420 nan 0.000 0.239 291 P C 0.470 177.917 177.300 0.246 0.000 1.184 291 P CA 0.579 63.918 63.100 0.398 0.000 0.760 291 P CB 0.599 32.559 31.700 0.433 0.000 0.884 292 E N -0.170 120.130 120.200 0.166 0.000 2.385 292 E HA 0.019 4.370 4.350 0.002 0.000 0.194 292 E C 0.885 177.527 176.600 0.070 0.000 1.013 292 E CA 0.214 56.681 56.400 0.111 0.000 0.866 292 E CB -0.343 29.414 29.700 0.094 0.000 0.832 292 E HN 0.148 nan 8.360 nan 0.000 0.500 293 S N 1.343 117.080 115.700 0.062 0.000 2.549 293 S HA -0.031 4.440 4.470 0.002 0.000 0.286 293 S C 1.204 175.791 174.600 -0.022 0.000 1.314 293 S CA -0.280 57.934 58.200 0.023 0.000 1.062 293 S CB 0.744 63.964 63.200 0.032 0.000 0.865 293 S HN -0.011 nan 8.310 nan 0.000 0.498 294 E N 3.408 123.588 120.200 -0.032 0.000 2.204 294 E HA 0.018 4.369 4.350 0.002 0.000 0.195 294 E C 1.569 178.113 176.600 -0.094 0.000 0.990 294 E CA 0.811 57.179 56.400 -0.054 0.000 0.821 294 E CB -0.787 28.885 29.700 -0.046 0.000 0.750 294 E HN 0.970 nan 8.360 nan 0.000 0.477 295 G N 0.612 109.350 108.800 -0.102 0.000 2.550 295 G HA2 -0.294 3.667 3.960 0.002 0.000 0.277 295 G HA3 -0.294 3.667 3.960 0.002 0.000 0.277 295 G C -0.070 174.751 174.900 -0.132 0.000 1.190 295 G CA 0.415 45.438 45.100 -0.129 0.000 0.971 295 G HN 0.248 nan 8.290 nan 0.000 0.559 296 T N 0.540 115.017 114.554 -0.128 0.000 2.841 296 T HA 0.547 4.898 4.350 0.002 0.000 0.285 296 T C -0.672 173.967 174.700 -0.102 0.000 0.991 296 T CA -0.279 61.754 62.100 -0.111 0.000 0.966 296 T CB 1.816 70.628 68.868 -0.094 0.000 0.962 296 T HN 0.830 nan 8.240 nan 0.000 0.438 297 L N 4.718 125.883 121.223 -0.096 0.000 2.272 297 L HA 0.632 4.973 4.340 0.002 0.000 0.289 297 L C -1.037 175.763 176.870 -0.116 0.000 1.032 297 L CA -0.462 54.321 54.840 -0.095 0.000 0.810 297 L CB 0.506 42.514 42.059 -0.086 0.000 1.205 297 L HN 0.619 nan 8.230 nan 0.000 0.422 298 I N 5.330 125.826 120.570 -0.124 0.000 2.328 298 I HA 0.500 4.671 4.170 0.002 0.000 0.287 298 I C 0.302 176.172 176.117 -0.412 0.000 1.012 298 I CA -0.074 61.102 61.300 -0.208 0.000 1.195 298 I CB 1.318 39.262 38.000 -0.094 0.000 1.350 298 I HN 0.766 nan 8.210 nan 0.000 0.464 299 T N 0.156 114.348 114.554 -0.604 0.000 2.618 299 T HA 0.319 4.670 4.350 0.002 0.000 0.286 299 T C 0.510 174.710 174.700 -0.832 0.000 1.027 299 T CA -0.639 61.028 62.100 -0.721 0.000 1.063 299 T CB 1.076 69.783 68.868 -0.267 0.000 1.440 299 T HN 0.385 nan 8.240 nan 0.000 0.505 300 N N 0.613 119.110 118.700 -0.339 0.000 2.354 300 N HA 0.060 4.801 4.740 0.002 0.000 0.179 300 N C -0.421 175.041 175.510 -0.079 0.000 1.021 300 N CA 0.392 53.392 53.050 -0.083 0.000 0.887 300 N CB -0.086 38.443 38.487 0.070 0.000 0.974 300 N HN 0.511 nan 8.380 nan 0.000 0.437 301 D N 0.735 121.073 120.400 -0.103 0.000 2.488 301 D HA -0.010 4.631 4.640 0.002 0.000 0.238 301 D C -0.224 176.034 176.300 -0.069 0.000 1.138 301 D CA 0.804 54.762 54.000 -0.070 0.000 0.873 301 D CB 0.751 41.509 40.800 -0.070 0.000 1.183 301 D HN 0.146 nan 8.370 nan 0.000 0.458 302 M N 1.748 121.323 119.600 -0.043 0.000 2.204 302 M HA 0.204 4.685 4.480 0.002 0.000 0.293 302 M C -1.140 175.142 176.300 -0.029 0.000 0.994 302 M CA -0.420 54.858 55.300 -0.036 0.000 0.925 302 M CB 1.824 34.411 32.600 -0.021 0.000 1.577 302 M HN 0.168 nan 8.290 nan 0.000 0.439 303 E N 4.346 124.527 120.200 -0.032 0.000 2.199 303 E HA 0.445 4.796 4.350 0.002 0.000 0.265 303 E C -1.088 175.497 176.600 -0.025 0.000 0.882 303 E CA -0.557 55.827 56.400 -0.027 0.000 0.759 303 E CB 2.297 31.979 29.700 -0.029 0.000 1.148 303 E HN 0.696 nan 8.360 nan 0.000 0.412 304 M N 1.941 121.529 119.600 -0.020 0.000 2.238 304 M HA 0.065 4.546 4.480 0.002 0.000 0.347 304 M C 0.517 176.806 176.300 -0.017 0.000 1.173 304 M CA 0.386 55.675 55.300 -0.019 0.000 1.147 304 M CB 0.999 33.590 32.600 -0.014 0.000 1.547 304 M HN 0.363 nan 8.290 nan 0.000 0.455 305 S N 1.422 117.111 115.700 -0.017 0.000 2.646 305 S HA 0.134 4.605 4.470 0.002 0.000 0.276 305 S C 0.662 175.262 174.600 -0.001 0.000 1.222 305 S CA -0.742 57.451 58.200 -0.011 0.000 1.014 305 S CB 0.901 64.092 63.200 -0.014 0.000 0.991 305 S HN 0.700 nan 8.310 nan 0.000 0.533 306 D N 1.933 122.336 120.400 0.004 0.000 2.087 306 D HA -0.106 4.535 4.640 0.002 0.000 0.192 306 D C 2.025 178.343 176.300 0.031 0.000 0.993 306 D CA 2.110 56.117 54.000 0.012 0.000 0.828 306 D CB -0.647 40.158 40.800 0.008 0.000 0.968 306 D HN 0.707 nan 8.370 nan 0.000 0.448 307 S N -0.561 115.171 115.700 0.055 0.000 2.607 307 S HA 0.070 4.541 4.470 0.002 0.000 0.224 307 S C 1.622 176.296 174.600 0.123 0.000 0.969 307 S CA 0.211 58.489 58.200 0.129 0.000 0.927 307 S CB 0.226 63.541 63.200 0.192 0.000 0.772 307 S HN 0.387 nan 8.310 nan 0.000 0.533 308 I N -1.432 119.156 120.570 0.030 0.000 4.538 308 I HA -0.280 3.891 4.170 0.002 0.000 0.053 308 I C 0.164 176.222 176.117 -0.098 0.000 0.613 308 I CA 1.101 62.382 61.300 -0.032 0.000 0.944 308 I CB -1.529 36.451 38.000 -0.033 0.000 0.852 308 I HN 0.232 nan 8.210 nan 0.000 0.162 309 V N 2.828 122.618 119.914 -0.207 0.000 2.493 309 V HA -0.082 4.039 4.120 0.002 0.000 0.292 309 V C 1.224 177.238 176.094 -0.133 0.000 1.016 309 V CA 1.134 63.252 62.300 -0.304 0.000 1.097 309 V CB 0.912 32.275 31.823 -0.768 0.000 0.947 309 V HN 0.271 nan 8.190 nan 0.000 0.479 310 K N 2.997 123.340 120.400 -0.095 0.000 2.370 310 K HA 0.553 4.875 4.320 0.002 0.000 0.194 310 K C 0.384 176.970 176.600 -0.025 0.000 1.070 310 K CA 0.736 56.995 56.287 -0.047 0.000 0.998 310 K CB 0.898 33.376 32.500 -0.037 0.000 0.911 310 K HN 0.814 nan 8.250 nan 0.000 0.533 311 A N 0.729 123.534 122.820 -0.026 0.000 2.608 311 A HA 0.638 4.959 4.320 0.002 0.000 0.292 311 A C -1.762 175.832 177.584 0.016 0.000 1.066 311 A CA -0.752 51.300 52.037 0.024 0.000 0.676 311 A CB 1.024 20.049 19.000 0.041 0.000 1.277 311 A HN 0.077 nan 8.150 nan 0.000 0.413 312 I N 1.609 122.216 120.570 0.063 0.000 2.466 312 I HA 0.535 4.706 4.170 0.002 0.000 0.289 312 I C 0.242 176.384 176.117 0.042 0.000 1.026 312 I CA -0.343 60.983 61.300 0.043 0.000 1.078 312 I CB 2.371 40.425 38.000 0.089 0.000 1.249 312 I HN 0.724 nan 8.210 nan 0.000 0.429 313 S N 2.951 118.657 115.700 0.011 0.000 2.600 313 S HA 0.923 5.395 4.470 0.002 0.000 0.300 313 S C -0.399 174.189 174.600 -0.020 0.000 1.087 313 S CA -0.615 57.599 58.200 0.022 0.000 0.965 313 S CB 2.115 65.356 63.200 0.068 0.000 1.089 313 S HN 0.669 nan 8.310 nan 0.000 0.496 314 T N -1.129 113.419 114.554 -0.010 0.000 2.909 314 T HA 0.738 5.089 4.350 0.002 0.000 0.299 314 T C -0.845 173.846 174.700 -0.015 0.000 1.073 314 T CA -0.822 61.256 62.100 -0.036 0.000 0.999 314 T CB 0.743 69.590 68.868 -0.036 0.000 1.098 314 T HN 0.658 nan 8.240 nan 0.000 0.477 315 I N 2.225 122.782 120.570 -0.021 0.000 2.418 315 I HA 0.454 4.625 4.170 0.002 0.000 0.287 315 I C 1.073 177.176 176.117 -0.023 0.000 1.008 315 I CA -0.896 60.392 61.300 -0.021 0.000 1.104 315 I CB 2.207 40.194 38.000 -0.022 0.000 1.264 315 I HN 0.765 nan 8.210 nan 0.000 0.438 316 K N 3.405 123.794 120.400 -0.019 0.000 2.128 316 K HA 0.131 4.452 4.320 0.002 0.000 0.202 316 K C 0.688 177.282 176.600 -0.010 0.000 1.050 316 K CA 0.662 56.941 56.287 -0.013 0.000 0.966 316 K CB 0.320 32.814 32.500 -0.010 0.000 0.759 316 K HN 0.484 nan 8.250 nan 0.000 0.454 317 N N 1.929 120.621 118.700 -0.014 0.000 3.243 317 N HA 0.031 4.772 4.740 0.002 0.000 0.310 317 N C -0.837 174.666 175.510 -0.012 0.000 1.313 317 N CA 0.117 53.160 53.050 -0.011 0.000 1.204 317 N CB 0.350 38.830 38.487 -0.012 0.000 1.483 317 N HN 0.074 nan 8.380 nan 0.000 0.553 318 V N -2.967 116.943 119.914 -0.007 0.000 3.102 318 V HA 1.004 5.125 4.120 0.002 0.000 0.312 318 V C -0.367 175.730 176.094 0.006 0.000 1.135 318 V CA -1.407 60.891 62.300 -0.002 0.000 1.022 318 V CB 1.782 33.603 31.823 -0.002 0.000 1.056 318 V HN 0.123 nan 8.190 nan 0.000 0.436 319 A N 1.919 124.745 122.820 0.010 0.000 2.401 319 A HA 0.866 5.187 4.320 0.002 0.000 0.310 319 A C -1.171 176.422 177.584 0.015 0.000 1.075 319 A CA -0.708 51.337 52.037 0.013 0.000 0.746 319 A CB 1.658 20.666 19.000 0.014 0.000 1.277 319 A HN 1.471 nan 8.150 nan 0.000 0.425 320 L N 2.700 123.931 121.223 0.014 0.000 2.265 320 L HA 0.608 4.950 4.340 0.002 0.000 0.288 320 L C -0.848 176.022 176.870 0.001 0.000 1.058 320 L CA -0.021 54.824 54.840 0.009 0.000 0.809 320 L CB 0.246 42.310 42.059 0.009 0.000 1.179 320 L HN 0.534 nan 8.230 nan 0.000 0.429 321 I N 5.455 126.019 120.570 -0.009 0.000 2.362 321 I HA 0.338 4.510 4.170 0.002 0.000 0.289 321 I C -0.412 175.660 176.117 -0.075 0.000 0.994 321 I CA -0.525 60.760 61.300 -0.025 0.000 1.158 321 I CB 1.232 39.222 38.000 -0.016 0.000 1.315 321 I HN 0.563 nan 8.210 nan 0.000 0.451 322 N N 7.737 126.367 118.700 -0.117 0.000 2.476 322 N HA 0.467 5.208 4.740 0.002 0.000 0.257 322 N C -0.677 174.620 175.510 -0.355 0.000 0.970 322 N CA -0.369 52.510 53.050 -0.286 0.000 0.938 322 N CB 2.063 40.312 38.487 -0.396 0.000 1.144 322 N HN 0.464 nan 8.380 nan 0.000 0.500 323 I N 2.961 123.341 120.570 -0.316 0.000 2.342 323 I HA 0.237 4.408 4.170 0.002 0.000 0.291 323 I C -0.193 175.727 176.117 -0.329 0.000 1.010 323 I CA -0.426 60.731 61.300 -0.238 0.000 1.308 323 I CB 0.374 38.252 38.000 -0.203 0.000 1.400 323 I HN 0.232 nan 8.210 nan 0.000 0.488 324 F N 4.534 124.425 119.950 -0.098 0.000 2.404 324 F HA 0.438 4.966 4.527 0.002 0.000 0.358 324 F C 1.150 176.885 175.800 -0.108 0.000 1.120 324 F CA -0.383 57.568 58.000 -0.082 0.000 1.144 324 F CB 1.008 39.971 39.000 -0.062 0.000 1.133 324 F HN 0.449 nan 8.300 nan 0.000 0.495 325 G N 1.243 110.069 108.800 0.044 0.000 2.616 325 G HA2 0.432 4.393 3.960 0.002 0.000 0.268 325 G HA3 0.432 4.393 3.960 0.002 0.000 0.268 325 G C 0.191 175.107 174.900 0.026 0.000 1.213 325 G CA -0.406 44.687 45.100 -0.011 0.000 0.926 325 G HN 0.813 nan 8.290 nan 0.000 0.523 326 A N -0.391 122.434 122.820 0.008 0.000 2.532 326 A HA 0.636 4.957 4.320 0.002 0.000 0.273 326 A C 1.272 178.887 177.584 0.052 0.000 1.342 326 A CA 1.027 53.082 52.037 0.029 0.000 0.929 326 A CB -1.010 18.004 19.000 0.022 0.000 1.051 326 A HN 2.431 nan 8.150 nan 0.000 0.521 327 G N -0.401 108.428 108.800 0.048 0.000 2.418 327 G HA2 -0.120 3.841 3.960 0.002 0.000 0.206 327 G HA3 -0.120 3.841 3.960 0.002 0.000 0.206 327 G C 0.041 174.971 174.900 0.051 0.000 1.202 327 G CA -0.273 44.860 45.100 0.055 0.000 1.061 327 G HN 0.238 nan 8.290 nan 0.000 0.563 328 M N 2.506 122.143 119.600 0.061 0.000 3.596 328 M HA 0.239 4.720 4.480 0.002 0.000 0.219 328 M C 1.648 177.983 176.300 0.058 0.000 1.471 328 M CA 0.493 55.827 55.300 0.055 0.000 1.644 328 M CB -0.530 32.106 32.600 0.059 0.000 1.083 328 M HN 1.052 nan 8.290 nan 0.000 0.579 329 V N -1.925 118.019 119.914 0.050 0.000 3.578 329 V HA 0.547 4.669 4.120 0.002 0.000 0.290 329 V C 0.719 176.842 176.094 0.049 0.000 1.376 329 V CA 0.166 62.496 62.300 0.051 0.000 1.083 329 V CB -0.462 31.391 31.823 0.049 0.000 0.911 329 V HN 0.833 nan 8.190 nan 0.000 0.433 330 G N 0.470 109.297 108.800 0.045 0.000 3.391 330 G HA2 -0.036 3.925 3.960 0.002 0.000 0.683 330 G HA3 -0.036 3.925 3.960 0.002 0.000 0.683 330 G C 0.091 175.022 174.900 0.050 0.000 1.071 330 G CA 0.279 45.407 45.100 0.046 0.000 0.904 330 G HN 1.359 nan 8.290 nan 0.000 0.452 331 V N 1.679 121.622 119.914 0.047 0.000 2.358 331 V HA -0.088 4.034 4.120 0.002 0.000 0.246 331 V C 2.721 178.859 176.094 0.074 0.000 1.047 331 V CA 3.272 65.604 62.300 0.054 0.000 1.035 331 V CB -0.365 31.486 31.823 0.047 0.000 0.658 331 V HN 1.925 nan 8.190 nan 0.000 0.452 332 S N 0.752 116.494 115.700 0.070 0.000 2.402 332 S HA 0.021 4.493 4.470 0.002 0.000 0.229 332 S C 2.139 176.793 174.600 0.090 0.000 1.021 332 S CA 1.233 59.482 58.200 0.082 0.000 0.974 332 S CB -1.264 61.973 63.200 0.062 0.000 0.800 332 S HN 0.881 nan 8.310 nan 0.000 0.484 333 G N 1.887 110.733 108.800 0.077 0.000 2.421 333 G HA2 -0.201 3.760 3.960 0.002 0.000 0.216 333 G HA3 -0.201 3.760 3.960 0.002 0.000 0.216 333 G C 1.684 176.648 174.900 0.107 0.000 1.171 333 G CA 1.610 46.758 45.100 0.080 0.000 0.775 333 G HN 0.682 nan 8.290 nan 0.000 0.543 334 T N -0.914 113.707 114.554 0.112 0.000 3.023 334 T HA 0.345 4.697 4.350 0.002 0.000 0.266 334 T C 2.477 177.260 174.700 0.138 0.000 1.093 334 T CA 1.545 63.733 62.100 0.147 0.000 1.129 334 T CB -0.161 68.761 68.868 0.090 0.000 0.899 334 T HN 0.298 nan 8.240 nan 0.000 0.491 335 A N 1.275 124.173 122.820 0.129 0.000 1.968 335 A HA 0.469 4.791 4.320 0.002 0.000 0.217 335 A C 2.798 180.544 177.584 0.269 0.000 1.169 335 A CA 1.490 53.641 52.037 0.189 0.000 0.638 335 A CB -1.283 17.889 19.000 0.287 0.000 0.812 335 A HN 0.747 nan 8.150 nan 0.000 0.446 336 A N 0.049 122.988 122.820 0.198 0.000 1.908 336 A HA -0.182 4.139 4.320 0.002 0.000 0.218 336 A C 2.272 179.938 177.584 0.135 0.000 1.181 336 A CA 1.644 53.781 52.037 0.167 0.000 0.627 336 A CB -0.427 18.636 19.000 0.105 0.000 0.818 336 A HN 0.540 nan 8.150 nan 0.000 0.445 337 R N -0.853 119.714 120.500 0.112 0.000 2.090 337 R HA 0.085 4.426 4.340 0.002 0.000 0.228 337 R C 2.036 178.377 176.300 0.069 0.000 1.110 337 R CA 1.206 57.327 56.100 0.036 0.000 0.973 337 R CB -0.409 29.873 30.300 -0.030 0.000 0.869 337 R HN 0.560 nan 8.270 nan 0.000 0.440 338 I N 0.073 120.735 120.570 0.153 0.000 2.127 338 I HA -0.306 3.865 4.170 0.002 0.000 0.241 338 I C 1.677 177.700 176.117 -0.157 0.000 1.075 338 I CA 1.621 62.909 61.300 -0.019 0.000 1.334 338 I CB -0.202 37.606 38.000 -0.320 0.000 1.040 338 I HN 0.057 nan 8.210 nan 0.000 0.405 339 F N 0.755 120.758 119.950 0.088 0.000 2.367 339 F HA -0.091 4.437 4.527 0.002 0.000 0.298 339 F C 2.428 178.250 175.800 0.038 0.000 1.094 339 F CA 1.014 59.047 58.000 0.056 0.000 1.409 339 F CB -0.602 38.425 39.000 0.045 0.000 1.064 339 F HN -0.026 nan 8.300 nan 0.000 0.528 340 K N 1.073 121.575 120.400 0.170 0.000 2.009 340 K HA -0.202 4.119 4.320 0.002 0.000 0.210 340 K C 2.296 178.927 176.600 0.052 0.000 1.049 340 K CA 1.639 57.977 56.287 0.085 0.000 0.929 340 K CB -0.440 32.082 32.500 0.037 0.000 0.714 340 K HN 0.140 nan 8.250 nan 0.000 0.440 341 A N 0.949 123.782 122.820 0.022 0.000 1.883 341 A HA -0.132 4.189 4.320 0.002 0.000 0.217 341 A C 2.083 179.690 177.584 0.039 0.000 1.186 341 A CA 1.418 53.460 52.037 0.008 0.000 0.624 341 A CB -0.619 18.376 19.000 -0.008 0.000 0.822 341 A HN 0.330 nan 8.150 nan 0.000 0.444 342 L N -0.204 121.055 121.223 0.059 0.000 2.093 342 L HA -0.028 4.313 4.340 0.002 0.000 0.208 342 L C 2.702 179.628 176.870 0.094 0.000 1.085 342 L CA 1.810 56.697 54.840 0.078 0.000 0.755 342 L CB -1.353 40.764 42.059 0.097 0.000 0.904 342 L HN 0.404 nan 8.230 nan 0.000 0.435 343 G N -1.423 107.444 108.800 0.113 0.000 2.408 343 G HA2 -0.216 3.745 3.960 0.002 0.000 0.217 343 G HA3 -0.216 3.745 3.960 0.002 0.000 0.217 343 G C 1.548 176.483 174.900 0.058 0.000 1.150 343 G CA 0.472 45.626 45.100 0.091 0.000 0.776 343 G HN 0.405 nan 8.290 nan 0.000 0.542 344 E N -0.071 120.157 120.200 0.048 0.000 2.077 344 E HA -0.114 4.237 4.350 0.002 0.000 0.193 344 E C 2.141 178.760 176.600 0.032 0.000 0.989 344 E CA 0.982 57.401 56.400 0.032 0.000 0.800 344 E CB 0.001 29.713 29.700 0.019 0.000 0.746 344 E HN 0.327 nan 8.360 nan 0.000 0.452 345 E N 0.484 120.705 120.200 0.036 0.000 2.502 345 E HA -0.059 4.292 4.350 0.002 0.000 0.194 345 E C -0.456 176.167 176.600 0.040 0.000 1.062 345 E CA 0.149 56.570 56.400 0.035 0.000 0.867 345 E CB -0.073 29.648 29.700 0.035 0.000 0.888 345 E HN 0.153 nan 8.360 nan 0.000 0.510 346 E N -1.151 119.075 120.200 0.043 0.000 2.722 346 E HA -0.202 4.150 4.350 0.002 0.000 0.265 346 E C -0.766 175.862 176.600 0.047 0.000 1.081 346 E CA 0.300 56.726 56.400 0.044 0.000 0.781 346 E CB -1.531 28.192 29.700 0.039 0.000 1.372 346 E HN 0.026 nan 8.360 nan 0.000 0.423 347 V N 1.716 121.662 119.914 0.054 0.000 2.529 347 V HA -0.054 4.068 4.120 0.002 0.000 0.292 347 V C 0.973 177.105 176.094 0.064 0.000 1.028 347 V CA 0.408 62.741 62.300 0.056 0.000 1.074 347 V CB 0.984 32.844 31.823 0.061 0.000 0.958 347 V HN 0.256 nan 8.190 nan 0.000 0.481 348 N N 4.322 123.050 118.700 0.047 0.000 2.415 348 N HA 0.211 4.952 4.740 0.002 0.000 0.246 348 N C -0.655 174.884 175.510 0.048 0.000 1.078 348 N CA -0.323 52.750 53.050 0.039 0.000 0.942 348 N CB 1.484 39.976 38.487 0.008 0.000 1.140 348 N HN 0.551 nan 8.380 nan 0.000 0.501 349 V N 6.201 126.164 119.914 0.082 0.000 2.407 349 V HA 0.230 4.352 4.120 0.002 0.000 0.278 349 V C 1.033 177.182 176.094 0.092 0.000 1.037 349 V CA -0.456 61.908 62.300 0.106 0.000 0.900 349 V CB 0.851 32.790 31.823 0.194 0.000 0.983 349 V HN 0.536 nan 8.190 nan 0.000 0.459 350 I N 5.572 126.192 120.570 0.082 0.000 3.035 350 I HA 0.297 4.468 4.170 0.002 0.000 0.271 350 I C 0.230 176.478 176.117 0.218 0.000 1.190 350 I CA 0.832 62.189 61.300 0.095 0.000 1.472 350 I CB -0.158 37.866 38.000 0.040 0.000 1.116 350 I HN 0.445 nan 8.210 nan 0.000 0.443 351 L N 0.507 121.835 121.223 0.174 0.000 2.513 351 L HA 0.546 4.887 4.340 0.002 0.000 0.261 351 L C -0.997 175.957 176.870 0.140 0.000 0.945 351 L CA -0.152 54.791 54.840 0.172 0.000 0.848 351 L CB 2.826 44.974 42.059 0.148 0.000 1.334 351 L HN -0.107 nan 8.230 nan 0.000 0.407 352 I N 1.528 122.174 120.570 0.126 0.000 2.608 352 I HA 0.699 4.870 4.170 0.002 0.000 0.295 352 I C -0.570 175.602 176.117 0.093 0.000 1.049 352 I CA -0.559 60.821 61.300 0.133 0.000 1.063 352 I CB 2.226 40.315 38.000 0.149 0.000 1.248 352 I HN 0.475 nan 8.210 nan 0.000 0.424 353 S N 3.753 119.500 115.700 0.078 0.000 2.546 353 S HA 0.621 5.092 4.470 0.002 0.000 0.272 353 S C -1.517 173.104 174.600 0.036 0.000 1.140 353 S CA -0.489 57.740 58.200 0.048 0.000 0.920 353 S CB 1.588 64.804 63.200 0.028 0.000 1.083 353 S HN 0.606 nan 8.310 nan 0.000 0.476 354 Q N 2.417 122.237 119.800 0.034 0.000 2.271 354 Q HA 0.696 5.038 4.340 0.002 0.000 0.268 354 Q C -0.735 175.273 176.000 0.014 0.000 1.021 354 Q CA -0.495 55.320 55.803 0.021 0.000 0.802 354 Q CB 1.480 30.244 28.738 0.043 0.000 1.282 354 Q HN 0.837 nan 8.270 nan 0.000 0.431 355 G N 1.569 110.369 108.800 0.001 0.000 3.919 355 G HA2 0.471 4.432 3.960 0.002 0.000 0.284 355 G HA3 0.471 4.432 3.960 0.002 0.000 0.284 355 G C -1.489 173.408 174.900 -0.004 0.000 2.841 355 G CA 0.048 45.148 45.100 0.001 0.000 0.605 355 G HN 0.788 nan 8.290 nan 0.000 0.337 356 S N 0.324 116.024 115.700 -0.001 0.000 2.592 356 S HA 0.513 4.984 4.470 0.002 0.000 0.275 356 S C 1.297 175.901 174.600 0.008 0.000 1.169 356 S CA 0.448 58.648 58.200 -0.001 0.000 0.958 356 S CB 1.292 64.485 63.200 -0.013 0.000 1.095 356 S HN 1.236 nan 8.310 nan 0.000 0.471 357 S N 3.089 118.795 115.700 0.011 0.000 2.474 357 S HA 0.012 4.483 4.470 0.002 0.000 0.235 357 S C 0.826 175.438 174.600 0.021 0.000 0.997 357 S CA 0.875 59.084 58.200 0.015 0.000 0.949 357 S CB -0.425 62.782 63.200 0.012 0.000 0.766 357 S HN 0.808 nan 8.310 nan 0.000 0.517 358 E N 0.641 120.855 120.200 0.024 0.000 2.479 358 E HA 0.102 4.453 4.350 0.002 0.000 0.193 358 E C -0.235 176.380 176.600 0.025 0.000 1.049 358 E CA 0.362 56.782 56.400 0.034 0.000 0.870 358 E CB -0.051 29.682 29.700 0.055 0.000 0.944 358 E HN 0.589 nan 8.360 nan 0.000 0.492 359 T N 0.672 115.234 114.554 0.012 0.000 4.712 359 T HA -0.156 4.195 4.350 0.002 0.000 0.304 359 T C 0.010 174.693 174.700 -0.028 0.000 1.250 359 T CA 0.390 62.491 62.100 0.001 0.000 2.371 359 T CB -1.690 67.182 68.868 0.007 0.000 1.829 359 T HN 0.197 nan 8.240 nan 0.000 0.953 360 N N 0.698 119.375 118.700 -0.039 0.000 2.416 360 N HA 0.601 5.342 4.740 0.002 0.000 0.246 360 N C 0.007 175.452 175.510 -0.107 0.000 1.260 360 N CA -0.092 52.893 53.050 -0.109 0.000 0.897 360 N CB 0.574 38.975 38.487 -0.143 0.000 1.110 360 N HN 0.676 nan 8.380 nan 0.000 0.439 361 I N -0.474 120.004 120.570 -0.153 0.000 2.802 361 I HA 0.253 4.424 4.170 0.002 0.000 0.298 361 I C -0.993 175.048 176.117 -0.127 0.000 1.176 361 I CA -0.465 60.777 61.300 -0.098 0.000 1.025 361 I CB 1.595 39.561 38.000 -0.057 0.000 1.243 361 I HN 0.267 nan 8.210 nan 0.000 0.424 362 S N 6.965 122.626 115.700 -0.066 0.000 2.449 362 S HA 0.724 5.196 4.470 0.002 0.000 0.310 362 S C -0.791 173.814 174.600 0.007 0.000 1.096 362 S CA -0.563 57.601 58.200 -0.060 0.000 1.095 362 S CB 1.240 64.408 63.200 -0.053 0.000 1.007 362 S HN 0.368 nan 8.310 nan 0.000 0.474 363 L N 2.285 123.511 121.223 0.005 0.000 2.354 363 L HA 0.736 5.077 4.340 0.002 0.000 0.264 363 L C -0.984 175.914 176.870 0.046 0.000 1.008 363 L CA -1.133 53.741 54.840 0.057 0.000 0.819 363 L CB 1.834 43.931 42.059 0.063 0.000 1.339 363 L HN 0.278 nan 8.230 nan 0.000 0.420 364 V N 2.590 122.545 119.914 0.070 0.000 2.409 364 V HA 0.564 4.685 4.120 0.002 0.000 0.291 364 V C -0.037 176.091 176.094 0.056 0.000 1.020 364 V CA -0.527 61.805 62.300 0.055 0.000 0.848 364 V CB 2.025 33.884 31.823 0.061 0.000 0.990 364 V HN 0.558 nan 8.190 nan 0.000 0.430 365 V N 2.351 122.287 119.914 0.037 0.000 3.158 365 V HA 0.587 4.708 4.120 0.002 0.000 0.315 365 V C 0.726 176.827 176.094 0.012 0.000 1.148 365 V CA -0.468 61.851 62.300 0.031 0.000 1.042 365 V CB 1.966 33.811 31.823 0.036 0.000 1.101 365 V HN 0.589 nan 8.190 nan 0.000 0.448 366 S N -0.220 115.482 115.700 0.005 0.000 2.727 366 S HA 0.042 4.513 4.470 0.002 0.000 0.226 366 S C 1.168 175.767 174.600 -0.001 0.000 0.963 366 S CA 1.178 59.373 58.200 -0.008 0.000 0.950 366 S CB -1.168 62.025 63.200 -0.013 0.000 0.779 366 S HN 1.093 nan 8.310 nan 0.000 0.532 367 E N 0.374 120.578 120.200 0.007 0.000 4.908 367 E HA -0.336 4.015 4.350 0.002 0.000 0.164 367 E C 1.330 177.937 176.600 0.012 0.000 1.196 367 E CA 1.718 58.123 56.400 0.009 0.000 2.347 367 E CB -1.413 28.290 29.700 0.005 0.000 1.786 367 E HN 0.644 nan 8.360 nan 0.000 0.456 368 E N 0.451 120.657 120.200 0.011 0.000 2.347 368 E HA -0.155 4.197 4.350 0.002 0.000 0.196 368 E C 0.774 177.386 176.600 0.019 0.000 1.008 368 E CA 1.558 57.967 56.400 0.015 0.000 0.852 368 E CB 0.054 29.764 29.700 0.017 0.000 0.783 368 E HN 0.357 nan 8.360 nan 0.000 0.505 369 D N 0.796 121.208 120.400 0.019 0.000 2.339 369 D HA 0.036 4.677 4.640 0.002 0.000 0.217 369 D C 1.850 178.165 176.300 0.025 0.000 1.050 369 D CA 0.066 54.080 54.000 0.024 0.000 0.856 369 D CB 0.466 41.282 40.800 0.027 0.000 0.922 369 D HN 0.024 nan 8.370 nan 0.000 0.518 370 V N 1.207 121.134 119.914 0.021 0.000 2.282 370 V HA -0.267 3.854 4.120 0.002 0.000 0.249 370 V C 1.901 178.008 176.094 0.023 0.000 1.057 370 V CA 1.810 64.123 62.300 0.021 0.000 1.032 370 V CB -0.247 31.587 31.823 0.019 0.000 0.645 370 V HN 0.157 nan 8.190 nan 0.000 0.447 371 D N -0.348 120.065 120.400 0.022 0.000 2.117 371 D HA -0.142 4.500 4.640 0.002 0.000 0.198 371 D C 2.275 178.590 176.300 0.025 0.000 0.982 371 D CA 1.187 55.200 54.000 0.022 0.000 0.828 371 D CB -0.198 40.614 40.800 0.020 0.000 0.967 371 D HN 0.378 nan 8.370 nan 0.000 0.464 372 K N 0.672 121.087 120.400 0.026 0.000 2.063 372 K HA -0.090 4.231 4.320 0.002 0.000 0.208 372 K C 2.050 178.669 176.600 0.031 0.000 1.048 372 K CA 1.262 57.566 56.287 0.028 0.000 0.928 372 K CB -0.103 32.415 32.500 0.030 0.000 0.713 372 K HN 0.032 nan 8.250 nan 0.000 0.442 373 A N 0.818 123.657 122.820 0.031 0.000 1.877 373 A HA -0.142 4.179 4.320 0.002 0.000 0.216 373 A C 2.089 179.694 177.584 0.035 0.000 1.186 373 A CA 1.346 53.402 52.037 0.032 0.000 0.620 373 A CB -0.640 18.377 19.000 0.028 0.000 0.822 373 A HN 0.184 nan 8.150 nan 0.000 0.443 374 L N -0.640 120.603 121.223 0.033 0.000 2.056 374 L HA -0.162 4.179 4.340 0.002 0.000 0.207 374 L C 2.610 179.506 176.870 0.043 0.000 1.078 374 L CA 1.806 56.668 54.840 0.037 0.000 0.749 374 L CB -0.418 41.659 42.059 0.031 0.000 0.901 374 L HN 0.490 nan 8.230 nan 0.000 0.433 375 K N 0.685 121.106 120.400 0.036 0.000 2.057 375 K HA -0.200 4.121 4.320 0.002 0.000 0.207 375 K C 2.122 178.743 176.600 0.036 0.000 1.049 375 K CA 1.444 57.751 56.287 0.033 0.000 0.931 375 K CB -0.086 32.430 32.500 0.026 0.000 0.714 375 K HN 0.257 nan 8.250 nan 0.000 0.440 376 A N 1.202 124.045 122.820 0.038 0.000 1.898 376 A HA -0.076 4.245 4.320 0.002 0.000 0.216 376 A C 2.117 179.734 177.584 0.056 0.000 1.181 376 A CA 1.171 53.229 52.037 0.035 0.000 0.620 376 A CB -0.525 18.496 19.000 0.034 0.000 0.819 376 A HN 0.321 nan 8.150 nan 0.000 0.442 377 L N -0.728 120.552 121.223 0.094 0.000 2.056 377 L HA -0.152 4.189 4.340 0.002 0.000 0.207 377 L C 2.639 179.644 176.870 0.225 0.000 1.078 377 L CA 1.682 56.642 54.840 0.201 0.000 0.749 377 L CB -0.364 41.789 42.059 0.156 0.000 0.901 377 L HN 0.398 nan 8.230 nan 0.000 0.433 378 K N 0.347 120.822 120.400 0.125 0.000 2.097 378 K HA -0.212 4.110 4.320 0.002 0.000 0.205 378 K C 2.332 178.975 176.600 0.072 0.000 1.050 378 K CA 1.197 57.546 56.287 0.102 0.000 0.938 378 K CB 0.009 32.547 32.500 0.063 0.000 0.718 378 K HN 0.142 nan 8.250 nan 0.000 0.442 379 R N 0.644 121.168 120.500 0.040 0.000 2.096 379 R HA -0.175 4.166 4.340 0.002 0.000 0.235 379 R C 1.983 178.256 176.300 -0.045 0.000 1.127 379 R CA 1.863 57.964 56.100 0.002 0.000 0.968 379 R CB -0.029 30.267 30.300 -0.005 0.000 0.861 379 R HN 0.120 nan 8.270 nan 0.000 0.440 380 E N -0.644 119.502 120.200 -0.090 0.000 2.112 380 E HA -0.091 4.260 4.350 0.002 0.000 0.190 380 E C 1.037 177.363 176.600 -0.456 0.000 0.979 380 E CA 1.321 57.529 56.400 -0.319 0.000 0.814 380 E CB 0.017 29.426 29.700 -0.484 0.000 0.762 380 E HN 0.389 nan 8.360 nan 0.000 0.460 381 F N -0.920 119.028 119.950 -0.004 0.000 2.717 381 F HA 0.399 4.927 4.527 0.002 0.000 0.297 381 F C 1.576 177.377 175.800 0.001 0.000 1.113 381 F CA 0.272 58.271 58.000 -0.002 0.000 1.319 381 F CB 0.555 39.553 39.000 -0.003 0.000 1.097 381 F HN 0.226 nan 8.300 nan 0.000 0.595 382 G N 0.690 109.572 108.800 0.136 0.000 2.561 382 G HA2 -0.253 3.709 3.960 0.002 0.000 0.289 382 G HA3 -0.253 3.709 3.960 0.002 0.000 0.289 382 G C -0.513 174.439 174.900 0.087 0.000 1.169 382 G CA 0.347 45.497 45.100 0.084 0.000 0.980 382 G HN 0.220 nan 8.290 nan 0.000 0.550 390 L N 1.923 122.627 121.223 -0.865 0.000 2.395 390 L HA 0.061 4.402 4.340 0.002 0.000 0.218 390 L C 1.223 177.926 176.870 -0.278 0.000 1.130 390 L CA 0.666 55.099 54.840 -0.679 0.000 0.826 390 L CB -0.577 41.154 42.059 -0.546 0.000 0.941 390 L HN 0.323 nan 8.230 nan 0.000 0.451 391 N N 0.383 118.986 118.700 -0.162 0.000 2.381 391 N HA -0.113 4.628 4.740 0.002 0.000 0.241 391 N C 0.483 175.965 175.510 -0.046 0.000 1.279 391 N CA 0.015 53.025 53.050 -0.068 0.000 0.896 391 N CB 0.630 39.108 38.487 -0.017 0.000 1.118 391 N HN 0.025 nan 8.380 nan 0.000 0.438 392 N N 0.940 119.629 118.700 -0.019 0.000 2.373 392 N HA 0.013 4.754 4.740 0.002 0.000 0.181 392 N C -0.354 175.176 175.510 0.032 0.000 1.082 392 N CA 0.042 53.093 53.050 0.001 0.000 0.885 392 N CB -0.164 38.324 38.487 0.002 0.000 0.977 392 N HN 0.486 nan 8.380 nan 0.000 0.462 393 N N 0.718 119.440 118.700 0.038 0.000 2.395 393 N HA -0.069 4.673 4.740 0.002 0.000 0.246 393 N C 0.634 176.181 175.510 0.062 0.000 1.246 393 N CA 0.138 53.226 53.050 0.063 0.000 0.879 393 N CB 0.762 39.278 38.487 0.048 0.000 1.098 393 N HN 0.005 nan 8.380 nan 0.000 0.444 394 L N 3.070 124.344 121.223 0.086 0.000 2.388 394 L HA 0.359 4.700 4.340 0.002 0.000 0.209 394 L C 0.357 177.169 176.870 -0.096 0.000 1.061 394 L CA 0.507 55.373 54.840 0.043 0.000 0.834 394 L CB -0.169 41.990 42.059 0.166 0.000 1.029 394 L HN 0.505 nan 8.230 nan 0.000 0.473 395 I N -1.680 118.762 120.570 -0.213 0.000 2.562 395 I HA 0.293 4.464 4.170 0.002 0.000 0.301 395 I C 1.251 177.295 176.117 -0.121 0.000 1.003 395 I CA 0.120 61.239 61.300 -0.302 0.000 1.127 395 I CB 1.968 39.542 38.000 -0.710 0.000 1.304 395 I HN -0.035 nan 8.210 nan 0.000 0.446 396 R N 1.202 121.666 120.500 -0.059 0.000 2.191 396 R HA 0.249 4.590 4.340 0.002 0.000 0.196 396 R C -0.549 175.740 176.300 -0.019 0.000 0.991 396 R CA 0.327 56.417 56.100 -0.017 0.000 1.075 396 R CB 0.540 30.847 30.300 0.011 0.000 1.040 396 R HN 0.763 nan 8.270 nan 0.000 0.526 397 D N -1.796 118.618 120.400 0.022 0.000 2.808 397 D HA 0.163 4.804 4.640 0.002 0.000 0.294 397 D C -2.119 174.286 176.300 0.174 0.000 1.278 397 D CA -0.316 53.708 54.000 0.041 0.000 0.756 397 D CB 1.837 42.588 40.800 -0.082 0.000 1.271 397 D HN -0.140 nan 8.370 nan 0.000 0.425 398 V N 1.217 121.235 119.914 0.173 0.000 2.697 398 V HA 0.707 4.828 4.120 0.002 0.000 0.300 398 V C -1.359 174.844 176.094 0.181 0.000 1.115 398 V CA 0.200 62.617 62.300 0.194 0.000 0.912 398 V CB 1.471 33.326 31.823 0.054 0.000 1.024 398 V HN 0.772 nan 8.190 nan 0.000 0.431 399 S N 6.148 121.997 115.700 0.248 0.000 2.549 399 S HA 0.919 5.390 4.470 0.002 0.000 0.297 399 S C -0.430 174.221 174.600 0.085 0.000 1.115 399 S CA -0.221 58.084 58.200 0.175 0.000 1.059 399 S CB 1.744 65.105 63.200 0.268 0.000 1.046 399 S HN 1.958 nan 8.310 nan 0.000 0.506 400 V N -0.702 119.248 119.914 0.061 0.000 2.680 400 V HA 0.776 4.897 4.120 0.002 0.000 0.309 400 V C -1.234 174.881 176.094 0.035 0.000 1.052 400 V CA -0.696 61.626 62.300 0.037 0.000 0.908 400 V CB 1.734 33.574 31.823 0.029 0.000 1.001 400 V HN 0.941 nan 8.190 nan 0.000 0.431 401 D N 2.255 122.671 120.400 0.027 0.000 2.542 401 D HA 0.435 5.076 4.640 0.002 0.000 0.252 401 D C 0.239 176.551 176.300 0.020 0.000 1.222 401 D CA -0.481 53.534 54.000 0.025 0.000 0.895 401 D CB 2.368 43.184 40.800 0.027 0.000 1.207 401 D HN 0.675 nan 8.370 nan 0.000 0.558 402 K N 1.165 121.576 120.400 0.018 0.000 2.323 402 K HA 0.091 4.412 4.320 0.002 0.000 0.197 402 K C -0.082 176.526 176.600 0.014 0.000 1.043 402 K CA 0.170 56.466 56.287 0.015 0.000 0.997 402 K CB 0.612 33.121 32.500 0.014 0.000 0.807 402 K HN 0.257 nan 8.250 nan 0.000 0.497 403 D N 1.691 122.101 120.400 0.016 0.000 2.713 403 D HA 0.095 4.736 4.640 0.002 0.000 0.229 403 D C -0.894 175.417 176.300 0.018 0.000 1.136 403 D CA 0.311 54.320 54.000 0.016 0.000 1.010 403 D CB 0.416 41.225 40.800 0.016 0.000 1.084 403 D HN -0.177 nan 8.370 nan 0.000 0.495 404 V N 0.348 120.272 119.914 0.016 0.000 3.120 404 V HA 0.523 4.645 4.120 0.002 0.000 0.303 404 V C -0.838 175.262 176.094 0.011 0.000 1.238 404 V CA -0.755 61.557 62.300 0.019 0.000 1.008 404 V CB 2.558 34.394 31.823 0.020 0.000 1.064 404 V HN 0.626 nan 8.190 nan 0.000 0.434 405 C N 2.353 121.658 119.300 0.009 0.000 3.171 405 C HA 0.922 5.383 4.460 0.002 0.000 0.308 405 C C -0.834 174.133 174.990 -0.038 0.000 1.334 405 C CA -0.788 58.223 59.018 -0.012 0.000 1.473 405 C CB 1.079 28.811 27.740 -0.014 0.000 1.866 405 C HN 0.679 nan 8.230 nan 0.000 0.465 406 V N 2.050 121.924 119.914 -0.067 0.000 2.370 406 V HA 0.493 4.614 4.120 0.002 0.000 0.283 406 V C -0.299 175.647 176.094 -0.246 0.000 1.023 406 V CA -0.048 62.169 62.300 -0.139 0.000 0.857 406 V CB 1.021 32.809 31.823 -0.057 0.000 0.985 406 V HN 0.735 nan 8.190 nan 0.000 0.443 407 I N 3.840 124.098 120.570 -0.521 0.000 2.377 407 I HA 0.480 4.651 4.170 0.002 0.000 0.293 407 I C 0.365 176.018 176.117 -0.772 0.000 0.987 407 I CA 0.654 61.567 61.300 -0.646 0.000 1.185 407 I CB 1.922 39.452 38.000 -0.784 0.000 1.341 407 I HN 0.591 nan 8.210 nan 0.000 0.455 408 S N 4.474 119.903 115.700 -0.451 0.000 2.532 408 S HA 0.730 5.201 4.470 0.002 0.000 0.301 408 S C -0.763 173.712 174.600 -0.209 0.000 1.083 408 S CA -0.693 57.261 58.200 -0.409 0.000 1.025 408 S CB 2.213 65.118 63.200 -0.493 0.000 1.056 408 S HN 0.268 nan 8.310 nan 0.000 0.494 409 V N 2.922 122.736 119.914 -0.166 0.000 2.531 409 V HA 0.538 4.659 4.120 0.002 0.000 0.301 409 V C -0.843 175.179 176.094 -0.119 0.000 1.034 409 V CA -0.483 61.741 62.300 -0.126 0.000 0.865 409 V CB 1.817 33.553 31.823 -0.145 0.000 0.995 409 V HN 0.706 nan 8.190 nan 0.000 0.424 410 V N 3.757 123.620 119.914 -0.085 0.000 2.604 410 V HA 1.009 5.130 4.120 0.002 0.000 0.305 410 V C 0.340 176.396 176.094 -0.064 0.000 1.043 410 V CA -0.098 62.173 62.300 -0.047 0.000 0.888 410 V CB 1.791 33.622 31.823 0.013 0.000 0.995 410 V HN 1.054 nan 8.190 nan 0.000 0.429 411 G N 1.817 110.583 108.800 -0.058 0.000 2.655 411 G HA2 0.579 4.540 3.960 0.002 0.000 0.296 411 G HA3 0.579 4.540 3.960 0.002 0.000 0.296 411 G C 0.376 175.251 174.900 -0.041 0.000 1.485 411 G CA 0.207 45.273 45.100 -0.057 0.000 0.869 411 G HN 0.962 nan 8.290 nan 0.000 0.540 412 A N 0.373 123.174 122.820 -0.032 0.000 1.929 412 A HA 0.107 4.429 4.320 0.002 0.000 0.221 412 A C 2.084 179.656 177.584 -0.021 0.000 1.211 412 A CA 2.895 54.918 52.037 -0.023 0.000 0.657 412 A CB -0.523 18.464 19.000 -0.023 0.000 0.827 412 A HN 1.980 nan 8.150 nan 0.000 0.462 413 G N -2.628 106.156 108.800 -0.026 0.000 4.044 413 G HA2 0.381 4.342 3.960 0.002 0.000 0.297 413 G HA3 0.381 4.342 3.960 0.002 0.000 0.297 413 G C 0.713 175.597 174.900 -0.026 0.000 1.101 413 G CA 0.525 45.612 45.100 -0.021 0.000 0.884 413 G HN 0.297 nan 8.290 nan 0.000 0.538 414 M N 0.381 119.959 119.600 -0.036 0.000 2.082 414 M HA -0.022 4.459 4.480 0.002 0.000 0.258 414 M C 2.475 178.755 176.300 -0.034 0.000 1.071 414 M CA 1.659 56.929 55.300 -0.049 0.000 1.103 414 M CB -0.149 32.417 32.600 -0.058 0.000 1.307 414 M HN 0.271 nan 8.290 nan 0.000 0.409 415 R N -0.735 119.754 120.500 -0.018 0.000 2.083 415 R HA -0.123 4.218 4.340 0.002 0.000 0.237 415 R C 2.040 178.338 176.300 -0.004 0.000 1.137 415 R CA 1.748 57.844 56.100 -0.006 0.000 0.951 415 R CB -0.950 29.351 30.300 0.001 0.000 0.851 415 R HN 0.604 nan 8.270 nan 0.000 0.434 416 G N -0.129 108.668 108.800 -0.006 0.000 2.534 416 G HA2 -0.032 3.929 3.960 0.002 0.000 0.217 416 G HA3 -0.032 3.929 3.960 0.002 0.000 0.217 416 G C 0.258 175.155 174.900 -0.004 0.000 1.128 416 G CA 0.412 45.510 45.100 -0.003 0.000 0.784 416 G HN 0.435 nan 8.290 nan 0.000 0.542 417 A N 0.604 123.418 122.820 -0.010 0.000 2.438 417 A HA 0.445 4.766 4.320 0.002 0.000 0.280 417 A C 0.508 178.089 177.584 -0.004 0.000 1.160 417 A CA -0.331 51.700 52.037 -0.009 0.000 0.821 417 A CB 0.065 19.054 19.000 -0.018 0.000 1.101 417 A HN 0.268 nan 8.150 nan 0.000 0.515 418 K N 2.097 122.498 120.400 0.002 0.000 2.447 418 K HA 0.298 4.619 4.320 0.002 0.000 0.281 418 K C 1.318 177.923 176.600 0.009 0.000 1.031 418 K CA 1.329 57.620 56.287 0.006 0.000 1.019 418 K CB 0.010 32.514 32.500 0.007 0.000 0.918 418 K HN 1.425 nan 8.250 nan 0.000 0.476 419 G N 3.715 112.522 108.800 0.012 0.000 2.176 419 G HA2 -0.288 3.674 3.960 0.002 0.000 0.253 419 G HA3 -0.288 3.674 3.960 0.002 0.000 0.253 419 G C 0.597 175.506 174.900 0.015 0.000 0.979 419 G CA 0.316 45.425 45.100 0.016 0.000 0.641 419 G HN 0.648 nan 8.290 nan 0.000 0.530 420 I N 1.388 121.958 120.570 -0.000 0.000 2.439 420 I HA 0.360 4.531 4.170 0.002 0.000 0.251 420 I C 2.824 178.886 176.117 -0.092 0.000 1.139 420 I CA 2.252 63.542 61.300 -0.017 0.000 1.438 420 I CB -0.366 37.602 38.000 -0.053 0.000 1.085 420 I HN 0.418 nan 8.210 nan 0.000 0.427 421 A N 0.252 123.012 122.820 -0.101 0.000 1.883 421 A HA -0.111 4.210 4.320 0.002 0.000 0.217 421 A C 2.446 179.937 177.584 -0.155 0.000 1.186 421 A CA 1.745 53.665 52.037 -0.195 0.000 0.624 421 A CB -1.743 17.287 19.000 0.050 0.000 0.822 421 A HN 0.469 nan 8.150 nan 0.000 0.444 422 G N -0.475 108.335 108.800 0.016 0.000 2.440 422 G HA2 -0.245 3.717 3.960 0.002 0.000 0.218 422 G HA3 -0.245 3.717 3.960 0.002 0.000 0.218 422 G C 1.694 176.610 174.900 0.027 0.000 1.154 422 G CA 1.199 46.337 45.100 0.063 0.000 0.767 422 G HN 0.586 nan 8.290 nan 0.000 0.552 423 K N -0.126 120.285 120.400 0.018 0.000 2.002 423 K HA 0.054 4.375 4.320 0.002 0.000 0.209 423 K C 2.461 179.114 176.600 0.087 0.000 1.048 423 K CA 1.007 57.330 56.287 0.060 0.000 0.930 423 K CB -0.265 32.321 32.500 0.143 0.000 0.714 423 K HN 0.307 nan 8.250 nan 0.000 0.438 424 I N 0.257 120.832 120.570 0.008 0.000 2.163 424 I HA -0.294 3.877 4.170 0.002 0.000 0.243 424 I C 2.004 177.966 176.117 -0.259 0.000 1.085 424 I CA 1.631 62.841 61.300 -0.149 0.000 1.347 424 I CB -0.273 37.373 38.000 -0.590 0.000 1.044 424 I HN 0.101 nan 8.210 nan 0.000 0.408 425 F N 0.424 120.328 119.950 -0.077 0.000 2.234 425 F HA -0.164 4.364 4.527 0.002 0.000 0.296 425 F C 2.920 178.658 175.800 -0.103 0.000 1.089 425 F CA 1.203 59.104 58.000 -0.165 0.000 1.343 425 F CB -0.847 38.055 39.000 -0.164 0.000 1.040 425 F HN 0.134 nan 8.300 nan 0.000 0.498 426 T N -1.183 113.427 114.554 0.094 0.000 2.720 426 T HA -0.200 4.151 4.350 0.002 0.000 0.268 426 T C 2.109 176.822 174.700 0.022 0.000 1.037 426 T CA 1.024 63.150 62.100 0.043 0.000 1.144 426 T CB -0.800 68.080 68.868 0.020 0.000 0.864 426 T HN 0.219 nan 8.240 nan 0.000 0.444 427 A N 1.281 124.111 122.820 0.017 0.000 1.883 427 A HA 0.027 4.348 4.320 0.002 0.000 0.217 427 A C 2.684 180.291 177.584 0.039 0.000 1.186 427 A CA 1.781 53.830 52.037 0.020 0.000 0.624 427 A CB -1.217 17.811 19.000 0.047 0.000 0.822 427 A HN 0.426 nan 8.150 nan 0.000 0.444 428 V N -0.095 119.835 119.914 0.027 0.000 2.287 428 V HA -0.252 3.869 4.120 0.002 0.000 0.248 428 V C 2.876 178.984 176.094 0.024 0.000 1.053 428 V CA 2.416 64.725 62.300 0.014 0.000 1.027 428 V CB -0.957 30.782 31.823 -0.140 0.000 0.646 428 V HN 0.734 nan 8.190 nan 0.000 0.447 429 S N -0.069 115.639 115.700 0.014 0.000 2.359 429 S HA -0.299 4.172 4.470 0.002 0.000 0.223 429 S C 1.926 176.535 174.600 0.016 0.000 1.039 429 S CA 2.239 60.445 58.200 0.011 0.000 1.042 429 S CB -0.403 62.802 63.200 0.008 0.000 0.915 429 S HN 0.730 nan 8.310 nan 0.000 0.439 430 E N 0.647 120.857 120.200 0.016 0.000 2.338 430 E HA -0.068 4.283 4.350 0.002 0.000 0.197 430 E C 2.136 178.748 176.600 0.020 0.000 1.007 430 E CA 1.005 57.412 56.400 0.012 0.000 0.849 430 E CB -0.149 29.552 29.700 0.003 0.000 0.774 430 E HN 0.753 nan 8.360 nan 0.000 0.506 431 S N -0.768 114.952 115.700 0.034 0.000 2.522 431 S HA 0.057 4.528 4.470 0.002 0.000 0.227 431 S C 1.615 176.239 174.600 0.040 0.000 0.986 431 S CA 0.594 58.820 58.200 0.044 0.000 0.929 431 S CB 0.262 63.504 63.200 0.070 0.000 0.769 431 S HN 0.349 nan 8.310 nan 0.000 0.529 432 G N 0.194 109.013 108.800 0.033 0.000 2.141 432 G HA2 -0.014 3.947 3.960 0.002 0.000 0.231 432 G HA3 -0.014 3.947 3.960 0.002 0.000 0.231 432 G C 0.137 175.059 174.900 0.036 0.000 0.984 432 G CA -0.068 45.049 45.100 0.029 0.000 0.660 432 G HN 1.263 nan 8.290 nan 0.000 0.525 433 A N -0.401 122.447 122.820 0.047 0.000 2.304 433 A HA 0.760 5.081 4.320 0.002 0.000 0.301 433 A C 0.022 177.629 177.584 0.039 0.000 1.132 433 A CA -0.224 51.848 52.037 0.060 0.000 0.819 433 A CB 0.844 19.906 19.000 0.103 0.000 1.094 433 A HN 0.482 nan 8.150 nan 0.000 0.492 434 N N 1.176 119.901 118.700 0.040 0.000 2.446 434 N HA 0.413 5.154 4.740 0.002 0.000 0.265 434 N C -0.852 174.673 175.510 0.026 0.000 0.975 434 N CA -0.341 52.720 53.050 0.019 0.000 0.928 434 N CB 0.532 39.029 38.487 0.016 0.000 1.160 434 N HN 0.523 nan 8.380 nan 0.000 0.495 435 I N 3.602 124.164 120.570 -0.013 0.000 2.452 435 I HA 0.070 4.241 4.170 0.002 0.000 0.287 435 I C 1.259 177.365 176.117 -0.017 0.000 1.079 435 I CA 0.008 61.298 61.300 -0.016 0.000 1.387 435 I CB 0.841 38.751 38.000 -0.151 0.000 1.404 435 I HN 0.473 nan 8.210 nan 0.000 0.522 436 K N 5.700 126.115 120.400 0.025 0.000 2.352 436 K HA 0.311 4.632 4.320 0.002 0.000 0.194 436 K C 0.233 176.833 176.600 -0.001 0.000 1.038 436 K CA 0.541 56.834 56.287 0.010 0.000 1.023 436 K CB 0.758 33.273 32.500 0.026 0.000 0.840 436 K HN 0.588 nan 8.250 nan 0.000 0.519 437 M N 0.955 120.565 119.600 0.017 0.000 2.426 437 M HA 0.353 4.834 4.480 0.002 0.000 0.289 437 M C -2.114 174.211 176.300 0.042 0.000 1.168 437 M CA -0.475 54.833 55.300 0.014 0.000 0.933 437 M CB 1.934 34.551 32.600 0.027 0.000 1.750 437 M HN -0.126 nan 8.290 nan 0.000 0.494 438 I N 3.033 123.606 120.570 0.005 0.000 2.498 438 I HA 0.739 4.910 4.170 0.002 0.000 0.290 438 I C -0.577 175.581 176.117 0.068 0.000 1.032 438 I CA -0.807 60.519 61.300 0.045 0.000 1.073 438 I CB 2.197 40.129 38.000 -0.113 0.000 1.251 438 I HN 0.771 nan 8.210 nan 0.000 0.426 439 A N 6.240 129.124 122.820 0.108 0.000 2.319 439 A HA 0.734 5.056 4.320 0.002 0.000 0.310 439 A C -0.875 176.766 177.584 0.094 0.000 1.152 439 A CA -0.432 51.654 52.037 0.082 0.000 0.783 439 A CB 1.490 20.530 19.000 0.067 0.000 1.184 439 A HN 0.648 nan 8.150 nan 0.000 0.474 440 Q N 1.525 121.376 119.800 0.085 0.000 2.309 440 Q HA 0.546 4.888 4.340 0.002 0.000 0.273 440 Q C 0.167 176.200 176.000 0.055 0.000 1.040 440 Q CA 0.363 56.212 55.803 0.077 0.000 0.834 440 Q CB 1.853 30.658 28.738 0.113 0.000 1.345 440 Q HN 1.765 nan 8.270 nan 0.000 0.414 441 G N 1.730 110.555 108.800 0.041 0.000 2.699 441 G HA2 -0.255 3.706 3.960 0.002 0.000 0.198 441 G HA3 -0.255 3.706 3.960 0.002 0.000 0.198 441 G C 0.605 175.520 174.900 0.025 0.000 1.033 441 G CA 0.585 45.704 45.100 0.031 0.000 0.728 441 G HN 0.867 nan 8.290 nan 0.000 0.484 442 S N -0.322 115.396 115.700 0.030 0.000 2.528 442 S HA 0.536 5.007 4.470 0.002 0.000 0.219 442 S C 0.875 175.488 174.600 0.021 0.000 0.985 442 S CA 1.238 59.452 58.200 0.023 0.000 0.914 442 S CB 0.475 63.691 63.200 0.027 0.000 0.776 442 S HN 1.395 nan 8.310 nan 0.000 0.526 443 S N 0.285 116.003 115.700 0.030 0.000 2.500 443 S HA 0.372 4.843 4.470 0.002 0.000 0.301 443 S C 0.476 175.086 174.600 0.017 0.000 1.092 443 S CA -0.676 57.541 58.200 0.029 0.000 1.030 443 S CB 1.777 65.013 63.200 0.059 0.000 1.031 443 S HN 0.366 nan 8.310 nan 0.000 0.483 444 E N 2.266 122.473 120.200 0.011 0.000 2.150 444 E HA -0.095 4.257 4.350 0.002 0.000 0.193 444 E C 1.193 177.794 176.600 0.001 0.000 0.985 444 E CA 1.783 58.186 56.400 0.005 0.000 0.814 444 E CB 0.130 29.832 29.700 0.005 0.000 0.752 444 E HN 0.640 nan 8.360 nan 0.000 0.466 445 V N -1.719 118.199 119.914 0.007 0.000 3.432 445 V HA 0.341 4.462 4.120 0.002 0.000 0.298 445 V C -0.217 175.872 176.094 -0.008 0.000 1.464 445 V CA -0.391 61.907 62.300 -0.002 0.000 1.046 445 V CB 0.098 31.925 31.823 0.006 0.000 0.887 445 V HN 0.053 nan 8.190 nan 0.000 0.441 446 N N 0.234 118.935 118.700 0.001 0.000 2.249 446 N HA 0.689 5.431 4.740 0.002 0.000 0.296 446 N C -1.426 174.054 175.510 -0.049 0.000 1.051 446 N CA -0.593 52.444 53.050 -0.022 0.000 0.815 446 N CB 2.237 40.751 38.487 0.045 0.000 1.487 446 N HN 0.296 nan 8.380 nan 0.000 0.475 447 I N 1.882 122.399 120.570 -0.088 0.000 2.447 447 I HA 0.357 4.528 4.170 0.002 0.000 0.287 447 I C -0.643 175.424 176.117 -0.083 0.000 1.023 447 I CA -0.566 60.712 61.300 -0.036 0.000 1.083 447 I CB 1.909 39.905 38.000 -0.007 0.000 1.245 447 I HN 0.456 nan 8.210 nan 0.000 0.434 448 S N 5.978 121.614 115.700 -0.106 0.000 2.568 448 S HA 0.831 5.302 4.470 0.002 0.000 0.302 448 S C -0.764 173.878 174.600 0.070 0.000 1.082 448 S CA -0.584 57.465 58.200 -0.252 0.000 1.009 448 S CB 1.762 64.631 63.200 -0.553 0.000 1.069 448 S HN 0.481 nan 8.310 nan 0.000 0.500 449 F N -1.206 118.733 119.950 -0.019 0.000 2.685 449 F HA 0.858 5.387 4.527 0.002 0.000 0.315 449 F C -1.474 174.333 175.800 0.012 0.000 1.126 449 F CA -1.298 56.723 58.000 0.034 0.000 0.950 449 F CB 0.724 39.809 39.000 0.142 0.000 1.360 449 F HN 0.266 nan 8.300 nan 0.000 0.469 450 V N 2.902 122.952 119.914 0.226 0.000 2.495 450 V HA 0.695 4.817 4.120 0.002 0.000 0.298 450 V C -0.042 176.166 176.094 0.189 0.000 1.031 450 V CA -0.603 61.767 62.300 0.117 0.000 0.871 450 V CB 1.439 33.299 31.823 0.062 0.000 0.988 450 V HN 0.869 nan 8.190 nan 0.000 0.432 451 I N -0.381 120.277 120.570 0.148 0.000 3.239 451 I HA 0.687 4.858 4.170 0.002 0.000 0.314 451 I C -0.603 175.561 176.117 0.078 0.000 1.126 451 I CA -1.025 60.358 61.300 0.139 0.000 0.973 451 I CB 2.054 40.176 38.000 0.204 0.000 1.252 451 I HN 0.334 nan 8.210 nan 0.000 0.463 452 D N 1.955 122.395 120.400 0.066 0.000 2.443 452 D HA 0.001 4.642 4.640 0.002 0.000 0.239 452 D C 0.636 176.960 176.300 0.041 0.000 1.136 452 D CA 0.465 54.492 54.000 0.045 0.000 0.879 452 D CB 1.649 42.472 40.800 0.039 0.000 1.195 452 D HN 0.721 nan 8.370 nan 0.000 0.443 453 E N 1.576 121.793 120.200 0.029 0.000 2.118 453 E HA -0.234 4.117 4.350 0.002 0.000 0.195 453 E C 1.829 178.443 176.600 0.023 0.000 0.992 453 E CA 1.254 57.667 56.400 0.022 0.000 0.804 453 E CB 0.187 29.896 29.700 0.015 0.000 0.741 453 E HN 0.437 nan 8.360 nan 0.000 0.458 454 K N -0.099 120.316 120.400 0.024 0.000 2.211 454 K HA -0.129 4.192 4.320 0.002 0.000 0.203 454 K C 0.845 177.463 176.600 0.029 0.000 1.050 454 K CA 1.578 57.879 56.287 0.023 0.000 0.945 454 K CB 0.172 32.684 32.500 0.020 0.000 0.732 454 K HN 0.022 nan 8.250 nan 0.000 0.451 455 D N 1.143 121.567 120.400 0.040 0.000 2.339 455 D HA 0.012 4.654 4.640 0.002 0.000 0.217 455 D C 1.635 177.971 176.300 0.061 0.000 1.050 455 D CA 0.023 54.054 54.000 0.051 0.000 0.856 455 D CB 0.241 41.079 40.800 0.064 0.000 0.922 455 D HN 0.207 nan 8.370 nan 0.000 0.518 456 L N 0.398 121.650 121.223 0.048 0.000 1.956 456 L HA -0.221 4.120 4.340 0.002 0.000 0.216 456 L C 2.275 179.171 176.870 0.043 0.000 1.073 456 L CA 1.322 56.188 54.840 0.043 0.000 0.762 456 L CB -0.227 41.844 42.059 0.021 0.000 0.889 456 L HN -0.004 nan 8.230 nan 0.000 0.433 457 L N 0.083 121.323 121.223 0.029 0.000 1.990 457 L HA -0.325 4.016 4.340 0.002 0.000 0.213 457 L C 2.460 179.352 176.870 0.036 0.000 1.072 457 L CA 1.835 56.689 54.840 0.023 0.000 0.755 457 L CB -0.719 41.347 42.059 0.012 0.000 0.889 457 L HN 0.444 nan 8.230 nan 0.000 0.432 458 N N -1.031 117.694 118.700 0.042 0.000 2.120 458 N HA -0.218 4.524 4.740 0.002 0.000 0.188 458 N C 1.841 177.395 175.510 0.072 0.000 1.024 458 N CA 1.602 54.681 53.050 0.049 0.000 0.852 458 N CB -0.888 37.625 38.487 0.043 0.000 1.003 458 N HN 0.439 nan 8.380 nan 0.000 0.424 459 C N 0.506 119.861 119.300 0.093 0.000 2.432 459 C HA -0.012 4.449 4.460 0.002 0.000 0.277 459 C C 2.731 177.812 174.990 0.151 0.000 1.249 459 C CA 0.493 59.594 59.018 0.138 0.000 1.725 459 C CB -0.948 26.905 27.740 0.189 0.000 2.028 459 C HN 0.218 nan 8.230 nan 0.000 0.477 460 V N 1.313 121.299 119.914 0.121 0.000 2.332 460 V HA -0.227 3.894 4.120 0.002 0.000 0.248 460 V C 2.704 178.878 176.094 0.134 0.000 1.055 460 V CA 2.360 64.731 62.300 0.118 0.000 1.038 460 V CB -0.849 31.012 31.823 0.064 0.000 0.651 460 V HN 0.517 nan 8.190 nan 0.000 0.450 461 R N 0.051 120.607 120.500 0.093 0.000 2.083 461 R HA -0.227 4.114 4.340 0.002 0.000 0.237 461 R C 2.441 178.820 176.300 0.131 0.000 1.137 461 R CA 1.885 58.040 56.100 0.092 0.000 0.951 461 R CB -0.378 29.953 30.300 0.051 0.000 0.851 461 R HN 0.343 nan 8.270 nan 0.000 0.434 462 K N 0.697 121.163 120.400 0.111 0.000 2.057 462 K HA -0.122 4.199 4.320 0.002 0.000 0.207 462 K C 1.846 178.520 176.600 0.123 0.000 1.049 462 K CA 1.095 57.438 56.287 0.093 0.000 0.931 462 K CB -0.308 32.236 32.500 0.073 0.000 0.714 462 K HN -0.041 nan 8.250 nan 0.000 0.440 463 L N 0.882 122.221 121.223 0.193 0.000 2.042 463 L HA -0.192 4.149 4.340 0.002 0.000 0.210 463 L C 2.465 179.529 176.870 0.322 0.000 1.076 463 L CA 1.915 56.936 54.840 0.302 0.000 0.749 463 L CB -1.090 41.146 42.059 0.295 0.000 0.893 463 L HN 0.475 nan 8.230 nan 0.000 0.432 464 H N -0.205 118.959 119.070 0.157 0.000 2.321 464 H HA -0.135 4.422 4.556 0.002 0.000 0.300 464 H C 2.042 177.426 175.328 0.093 0.000 1.087 464 H CA 1.835 57.959 56.048 0.127 0.000 1.319 464 H CB 0.432 30.247 29.762 0.088 0.000 1.379 464 H HN 0.455 nan 8.280 nan 0.000 0.501 465 E N 0.535 120.833 120.200 0.163 0.000 2.049 465 E HA -0.188 4.163 4.350 0.002 0.000 0.198 465 E C 2.410 178.983 176.600 -0.045 0.000 1.007 465 E CA 0.946 57.381 56.400 0.059 0.000 0.809 465 E CB 0.007 29.736 29.700 0.048 0.000 0.749 465 E HN 0.325 nan 8.360 nan 0.000 0.450 466 K N -0.120 120.213 120.400 -0.111 0.000 2.057 466 K HA -0.120 4.201 4.320 0.002 0.000 0.206 466 K C 1.796 178.137 176.600 -0.430 0.000 1.050 466 K CA 1.198 57.283 56.287 -0.337 0.000 0.935 466 K CB 0.023 32.188 32.500 -0.559 0.000 0.715 466 K HN 0.044 nan 8.250 nan 0.000 0.439 467 F N -0.490 119.420 119.950 -0.066 0.000 2.582 467 F HA 0.133 4.661 4.527 0.002 0.000 0.290 467 F C 1.817 177.543 175.800 -0.123 0.000 1.115 467 F CA 0.271 58.221 58.000 -0.084 0.000 1.445 467 F CB 0.195 39.152 39.000 -0.073 0.000 1.126 467 F HN -0.080 nan 8.300 nan 0.000 0.574 468 I N -0.906 119.634 120.570 -0.051 0.000 3.300 468 I HA -0.003 4.168 4.170 0.002 0.000 0.279 468 I C 1.824 177.867 176.117 -0.124 0.000 1.172 468 I CA 0.666 61.863 61.300 -0.172 0.000 1.431 468 I CB -0.021 37.672 38.000 -0.512 0.000 1.240 468 I HN -0.071 nan 8.210 nan 0.000 0.453 469 E N 0.809 120.945 120.200 -0.107 0.000 2.075 469 E HA 0.072 4.423 4.350 0.002 0.000 0.190 469 E C -0.071 176.513 176.600 -0.027 0.000 0.969 469 E CA 0.169 56.551 56.400 -0.030 0.000 0.815 469 E CB 0.199 29.916 29.700 0.029 0.000 0.776 469 E HN 0.179 nan 8.360 nan 0.000 0.457 470 K N 0.000 120.372 120.400 -0.047 0.000 2.780 470 K HA 0.000 4.321 4.320 0.002 0.000 0.191 470 K CA 0.000 56.254 56.287 -0.054 0.000 0.838 470 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 470 K HN 0.000 nan 8.250 nan 0.000 0.543