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 2eq8_1_D DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.235 176.300 -0.108 0.000 1.140 7 M CA 0.000 55.238 55.300 -0.103 0.000 0.988 7 M CB 0.000 32.560 32.600 -0.066 0.000 1.302 8 K N 2.383 122.699 120.400 -0.141 0.000 2.412 8 K HA 0.394 4.727 4.320 0.022 0.000 0.284 8 K C 0.497 177.048 176.600 -0.081 0.000 1.046 8 K CA 0.240 56.455 56.287 -0.120 0.000 0.999 8 K CB 0.545 33.061 32.500 0.026 0.000 0.941 8 K HN 0.655 nan 8.250 nan 0.000 0.474 9 T N 0.001 114.387 114.554 -0.280 0.000 2.908 9 T HA 0.598 4.961 4.350 0.022 0.000 0.290 9 T C -0.798 173.624 174.700 -0.462 0.000 1.034 9 T CA -0.794 61.210 62.100 -0.161 0.000 1.010 9 T CB 0.743 69.571 68.868 -0.066 0.000 1.068 9 T HN 0.393 nan 8.240 nan 0.000 0.481 10 Y N -0.693 119.645 120.300 0.064 0.000 2.715 10 Y HA 0.457 5.019 4.550 0.020 0.000 0.331 10 Y C 0.810 176.735 175.900 0.043 0.000 1.197 10 Y CA -1.383 56.748 58.100 0.051 0.000 1.079 10 Y CB 0.840 39.333 38.460 0.054 0.000 1.298 10 Y HN 0.534 nan 8.280 nan 0.000 0.477 11 D N 0.131 120.657 120.400 0.210 0.000 2.162 11 D HA 0.059 4.712 4.640 0.022 0.000 0.203 11 D C -0.371 176.005 176.300 0.127 0.000 0.967 11 D CA 1.412 55.490 54.000 0.129 0.000 0.840 11 D CB 0.489 41.344 40.800 0.093 0.000 0.972 11 D HN 0.261 nan 8.370 nan 0.000 0.482 12 L N -0.026 121.277 121.223 0.134 0.000 2.505 12 L HA 0.436 4.789 4.340 0.022 0.000 0.259 12 L C -1.878 174.997 176.870 0.009 0.000 0.952 12 L CA -0.552 54.334 54.840 0.075 0.000 0.840 12 L CB 2.321 44.405 42.059 0.042 0.000 1.358 12 L HN -0.238 nan 8.230 nan 0.000 0.409 13 I N 4.896 125.457 120.570 -0.015 0.000 2.418 13 I HA 0.518 4.701 4.170 0.022 0.000 0.287 13 I C -0.963 175.110 176.117 -0.074 0.000 1.008 13 I CA -0.912 60.323 61.300 -0.108 0.000 1.104 13 I CB 2.051 39.991 38.000 -0.100 0.000 1.264 13 I HN 0.291 nan 8.210 nan 0.000 0.438 14 V N 7.394 127.246 119.914 -0.102 0.000 2.370 14 V HA 0.418 4.551 4.120 0.022 0.000 0.283 14 V C 0.128 176.163 176.094 -0.099 0.000 1.023 14 V CA -0.483 61.774 62.300 -0.071 0.000 0.857 14 V CB 1.788 33.580 31.823 -0.052 0.000 0.985 14 V HN 0.475 nan 8.190 nan 0.000 0.443 15 I N 4.899 125.415 120.570 -0.091 0.000 2.291 15 I HA 0.683 4.866 4.170 0.022 0.000 0.290 15 I C 0.750 176.804 176.117 -0.104 0.000 1.050 15 I CA 0.121 61.345 61.300 -0.126 0.000 1.245 15 I CB 0.967 38.880 38.000 -0.145 0.000 1.405 15 I HN 0.886 nan 8.210 nan 0.000 0.478 16 G N 3.447 112.187 108.800 -0.099 0.000 2.906 16 G HA2 -0.103 3.869 3.960 0.022 0.000 0.686 16 G HA3 -0.103 3.869 3.960 0.022 0.000 0.686 16 G C -0.088 174.803 174.900 -0.016 0.000 1.170 16 G CA -0.339 44.724 45.100 -0.062 0.000 0.775 16 G HN 0.703 nan 8.290 nan 0.000 0.630 17 T N 0.002 114.566 114.554 0.018 0.000 3.293 17 T HA 0.632 4.995 4.350 0.022 0.000 0.276 17 T C 1.284 176.098 174.700 0.191 0.000 1.003 17 T CA 0.915 63.072 62.100 0.095 0.000 0.916 17 T CB 0.628 69.533 68.868 0.061 0.000 1.134 17 T HN 1.709 nan 8.240 nan 0.000 0.530 18 G N 2.071 110.938 108.800 0.112 0.000 2.553 18 G HA2 0.443 4.416 3.960 0.022 0.000 0.278 18 G HA3 0.443 4.416 3.960 0.022 0.000 0.278 18 G C -1.503 173.429 174.900 0.054 0.000 1.349 18 G CA -1.562 43.609 45.100 0.119 0.000 1.037 18 G HN 0.038 nan 8.290 nan 0.000 0.508 19 P HA -0.157 nan 4.420 nan 0.000 0.217 19 P C 2.008 179.006 177.300 -0.503 0.000 1.158 19 P CA 2.175 65.016 63.100 -0.431 0.000 0.887 19 P CB -0.031 31.523 31.700 -0.244 0.000 0.792 20 G N -0.830 107.814 108.800 -0.261 0.000 2.414 20 G HA2 -0.180 3.793 3.960 0.022 0.000 0.215 20 G HA3 -0.180 3.793 3.960 0.022 0.000 0.215 20 G C 1.826 176.658 174.900 -0.113 0.000 1.188 20 G CA 0.945 45.934 45.100 -0.185 0.000 0.783 20 G HN 0.360 nan 8.290 nan 0.000 0.537 21 G N 0.592 109.352 108.800 -0.066 0.000 2.459 21 G HA2 -0.259 3.714 3.960 0.022 0.000 0.217 21 G HA3 -0.259 3.714 3.960 0.022 0.000 0.217 21 G C 1.746 176.679 174.900 0.054 0.000 1.183 21 G CA 1.468 46.565 45.100 -0.007 0.000 0.776 21 G HN 0.659 nan 8.290 nan 0.000 0.552 22 Y N -0.037 120.289 120.300 0.044 0.000 2.352 22 Y HA 0.086 4.649 4.550 0.021 0.000 0.292 22 Y C 2.379 178.295 175.900 0.027 0.000 1.136 22 Y CA 1.291 59.406 58.100 0.026 0.000 1.227 22 Y CB -0.822 37.650 38.460 0.020 0.000 0.991 22 Y HN 0.288 nan 8.280 nan 0.000 0.545 23 H N 0.507 119.440 119.070 -0.229 0.000 2.363 23 H HA 0.115 4.684 4.556 0.021 0.000 0.301 23 H C 2.357 177.648 175.328 -0.061 0.000 1.074 23 H CA 1.551 57.509 56.048 -0.151 0.000 1.354 23 H CB -0.351 29.255 29.762 -0.259 0.000 1.397 23 H HN 0.483 nan 8.280 nan 0.000 0.516 24 A N 0.631 123.477 122.820 0.044 0.000 1.902 24 A HA -0.094 4.239 4.320 0.022 0.000 0.217 24 A C 2.522 180.103 177.584 -0.005 0.000 1.181 24 A CA 1.620 53.658 52.037 0.001 0.000 0.623 24 A CB -1.090 17.897 19.000 -0.022 0.000 0.818 24 A HN 0.465 nan 8.150 nan 0.000 0.443 25 A N 0.008 122.835 122.820 0.013 0.000 1.877 25 A HA -0.105 4.228 4.320 0.022 0.000 0.216 25 A C 2.153 179.739 177.584 0.004 0.000 1.186 25 A CA 1.624 53.664 52.037 0.006 0.000 0.620 25 A CB -0.637 18.374 19.000 0.018 0.000 0.822 25 A HN 0.493 nan 8.150 nan 0.000 0.443 26 I N -1.226 119.351 120.570 0.011 0.000 2.202 26 I HA -0.223 3.960 4.170 0.022 0.000 0.242 26 I C 2.689 178.793 176.117 -0.022 0.000 1.091 26 I CA 1.652 62.946 61.300 -0.011 0.000 1.368 26 I CB -0.263 37.722 38.000 -0.025 0.000 1.058 26 I HN 0.270 nan 8.210 nan 0.000 0.410 27 R N 1.754 122.238 120.500 -0.026 0.000 2.081 27 R HA -0.119 4.234 4.340 0.022 0.000 0.235 27 R C 2.136 178.424 176.300 -0.019 0.000 1.131 27 R CA 1.922 58.008 56.100 -0.024 0.000 0.960 27 R CB -0.830 29.460 30.300 -0.017 0.000 0.856 27 R HN 0.359 nan 8.270 nan 0.000 0.436 28 A N 0.089 122.898 122.820 -0.020 0.000 1.933 28 A HA 0.002 4.335 4.320 0.022 0.000 0.218 28 A C 2.360 179.942 177.584 -0.004 0.000 1.175 28 A CA 1.735 53.762 52.037 -0.017 0.000 0.628 28 A CB -0.981 18.007 19.000 -0.019 0.000 0.814 28 A HN 0.469 nan 8.150 nan 0.000 0.444 29 A N -0.534 122.284 122.820 -0.003 0.000 1.898 29 A HA -0.197 4.136 4.320 0.022 0.000 0.216 29 A C 2.089 179.672 177.584 -0.001 0.000 1.181 29 A CA 1.567 53.606 52.037 0.003 0.000 0.620 29 A CB -0.584 18.416 19.000 0.001 0.000 0.819 29 A HN 0.652 nan 8.150 nan 0.000 0.442 30 Q N -0.422 119.373 119.800 -0.007 0.000 2.170 30 Q HA -0.041 4.312 4.340 0.022 0.000 0.203 30 Q C 1.472 177.469 176.000 -0.005 0.000 0.976 30 Q CA 1.120 56.918 55.803 -0.009 0.000 0.858 30 Q CB -0.304 28.425 28.738 -0.014 0.000 0.907 30 Q HN 0.653 nan 8.270 nan 0.000 0.433 31 L N -0.626 120.594 121.223 -0.004 0.000 2.627 31 L HA 0.143 4.496 4.340 0.022 0.000 0.233 31 L C 0.988 177.861 176.870 0.005 0.000 1.144 31 L CA 0.373 55.212 54.840 -0.001 0.000 0.892 31 L CB -0.073 41.984 42.059 -0.004 0.000 1.039 31 L HN 0.424 nan 8.230 nan 0.000 0.442 32 G N 0.087 108.891 108.800 0.007 0.000 2.141 32 G HA2 -0.235 3.738 3.960 0.022 0.000 0.231 32 G HA3 -0.235 3.738 3.960 0.022 0.000 0.231 32 G C 0.163 175.075 174.900 0.020 0.000 0.984 32 G CA -0.361 44.746 45.100 0.012 0.000 0.660 32 G HN 0.200 nan 8.290 nan 0.000 0.525 33 L N 0.149 121.386 121.223 0.023 0.000 2.399 33 L HA 0.447 4.799 4.340 0.022 0.000 0.266 33 L C 0.957 177.858 176.870 0.052 0.000 1.114 33 L CA -0.666 54.196 54.840 0.037 0.000 0.804 33 L CB 1.172 43.252 42.059 0.034 0.000 1.146 33 L HN 0.118 nan 8.230 nan 0.000 0.451 34 K N 2.256 122.703 120.400 0.078 0.000 2.284 34 K HA 0.422 4.755 4.320 0.022 0.000 0.287 34 K C -1.260 175.439 176.600 0.165 0.000 1.081 34 K CA -0.388 55.971 56.287 0.120 0.000 0.910 34 K CB 0.775 33.349 32.500 0.124 0.000 1.088 34 K HN 0.361 nan 8.250 nan 0.000 0.478 35 V N 5.361 125.343 119.914 0.114 0.000 2.581 35 V HA 0.421 4.554 4.120 0.022 0.000 0.303 35 V C -0.734 175.317 176.094 -0.072 0.000 1.041 35 V CA -1.127 61.193 62.300 0.033 0.000 0.907 35 V CB 1.501 33.322 31.823 -0.002 0.000 0.994 35 V HN 0.660 nan 8.190 nan 0.000 0.442 36 L N 3.942 124.989 121.223 -0.293 0.000 2.356 36 L HA 0.915 5.268 4.340 0.022 0.000 0.277 36 L C -0.055 176.629 176.870 -0.311 0.000 0.996 36 L CA -0.278 54.265 54.840 -0.495 0.000 0.822 36 L CB 1.334 42.679 42.059 -1.191 0.000 1.256 36 L HN 0.793 nan 8.230 nan 0.000 0.413 37 A N 5.102 127.789 122.820 -0.222 0.000 2.318 37 A HA 0.792 5.124 4.320 0.022 0.000 0.324 37 A C -1.203 176.274 177.584 -0.178 0.000 1.170 37 A CA -0.546 51.397 52.037 -0.158 0.000 0.810 37 A CB 1.299 20.247 19.000 -0.086 0.000 1.198 37 A HN 0.521 nan 8.150 nan 0.000 0.484 38 V N 1.994 121.800 119.914 -0.180 0.000 2.459 38 V HA 0.625 4.758 4.120 0.022 0.000 0.295 38 V C -0.371 175.643 176.094 -0.134 0.000 1.029 38 V CA -0.467 61.721 62.300 -0.185 0.000 0.874 38 V CB 1.477 33.158 31.823 -0.236 0.000 0.985 38 V HN 0.971 nan 8.190 nan 0.000 0.438 39 E N 3.170 123.308 120.200 -0.103 0.000 2.260 39 E HA 0.684 5.046 4.350 0.022 0.000 0.266 39 E C 0.261 176.837 176.600 -0.040 0.000 0.887 39 E CA -0.102 56.258 56.400 -0.068 0.000 0.777 39 E CB 1.831 31.505 29.700 -0.044 0.000 1.205 39 E HN 0.637 nan 8.360 nan 0.000 0.414 40 A N 3.151 125.959 122.820 -0.021 0.000 2.067 40 A HA 0.384 4.717 4.320 0.022 0.000 0.217 40 A C 1.098 178.719 177.584 0.062 0.000 1.156 40 A CA 1.335 53.410 52.037 0.064 0.000 0.683 40 A CB -0.076 19.039 19.000 0.192 0.000 0.808 40 A HN 0.607 nan 8.150 nan 0.000 0.455 41 G N -1.179 107.640 108.800 0.030 0.000 3.340 41 G HA2 0.459 4.432 3.960 0.022 0.000 0.176 41 G HA3 0.459 4.432 3.960 0.022 0.000 0.176 41 G C -1.026 173.874 174.900 -0.000 0.000 1.103 41 G CA -0.397 44.715 45.100 0.019 0.000 0.779 41 G HN 0.044 nan 8.290 nan 0.000 0.673 42 E N 0.787 120.984 120.200 -0.006 0.000 2.316 42 E HA 0.347 4.710 4.350 0.022 0.000 0.275 42 E C 0.115 176.705 176.600 -0.016 0.000 1.029 42 E CA -0.266 56.124 56.400 -0.017 0.000 0.871 42 E CB 1.855 31.541 29.700 -0.023 0.000 1.022 42 E HN 0.108 nan 8.360 nan 0.000 0.418 43 V N 2.183 122.081 119.914 -0.026 0.000 2.763 43 V HA 0.254 4.387 4.120 0.022 0.000 0.306 43 V C 1.531 177.610 176.094 -0.025 0.000 1.059 43 V CA 1.645 63.927 62.300 -0.029 0.000 1.138 43 V CB 0.691 32.480 31.823 -0.056 0.000 0.940 43 V HN 1.021 nan 8.190 nan 0.000 0.489 44 G N 2.598 111.408 108.800 0.017 0.000 2.238 44 G HA2 0.136 4.109 3.960 0.022 0.000 0.217 44 G HA3 0.136 4.109 3.960 0.022 0.000 0.217 44 G C 0.910 175.875 174.900 0.110 0.000 0.996 44 G CA 0.139 45.276 45.100 0.062 0.000 0.632 44 G HN 2.280 nan 8.290 nan 0.000 0.503 45 G N -1.327 107.510 108.800 0.061 0.000 2.645 45 G HA2 -0.009 3.963 3.960 0.022 0.000 0.246 45 G HA3 -0.009 3.963 3.960 0.022 0.000 0.246 45 G C 1.063 175.976 174.900 0.021 0.000 1.322 45 G CA 0.899 46.025 45.100 0.042 0.000 0.898 45 G HN 1.289 nan 8.290 nan 0.000 0.573 46 V N -0.051 119.869 119.914 0.011 0.000 2.295 46 V HA -0.245 3.888 4.120 0.022 0.000 0.246 46 V C 3.166 179.258 176.094 -0.004 0.000 1.049 46 V CA 2.946 65.245 62.300 -0.002 0.000 1.024 46 V CB -1.104 30.717 31.823 -0.004 0.000 0.648 46 V HN 1.130 nan 8.190 nan 0.000 0.447 47 c N -0.073 118.531 118.600 0.007 0.000 2.393 47 c HA -0.198 4.385 4.570 0.022 0.000 0.276 47 c C 2.549 176.636 174.090 -0.004 0.000 1.215 47 c CA 1.569 57.900 56.329 0.004 0.000 1.743 47 c CB -1.073 41.449 42.510 0.020 0.000 2.044 47 c HN 0.537 nan 8.230 nan 0.000 0.464 48 L N 1.114 122.346 121.223 0.015 0.000 2.179 48 L HA 0.034 4.387 4.340 0.022 0.000 0.208 48 L C 2.400 179.245 176.870 -0.042 0.000 1.096 48 L CA 1.559 56.392 54.840 -0.011 0.000 0.779 48 L CB -0.770 41.292 42.059 0.007 0.000 0.922 48 L HN 0.444 nan 8.230 nan 0.000 0.443 49 N N -0.671 118.008 118.700 -0.034 0.000 2.333 49 N HA 0.038 4.791 4.740 0.022 0.000 0.183 49 N C 1.139 176.616 175.510 -0.054 0.000 1.030 49 N CA 1.643 54.665 53.050 -0.047 0.000 0.867 49 N CB 0.674 39.140 38.487 -0.036 0.000 1.027 49 N HN 0.286 nan 8.380 nan 0.000 0.435 50 V N -3.088 116.799 119.914 -0.044 0.000 3.111 50 V HA 0.633 4.766 4.120 0.022 0.000 0.343 50 V C 0.581 176.652 176.094 -0.038 0.000 1.417 50 V CA -0.106 62.165 62.300 -0.047 0.000 1.142 50 V CB 0.546 32.338 31.823 -0.051 0.000 1.114 50 V HN 0.143 nan 8.190 nan 0.000 0.520 51 G N -0.165 108.614 108.800 -0.036 0.000 3.054 51 G HA2 0.172 4.145 3.960 0.022 0.000 0.201 51 G HA3 0.172 4.145 3.960 0.022 0.000 0.201 51 G C 1.025 175.897 174.900 -0.047 0.000 1.694 51 G CA 0.746 45.829 45.100 -0.029 0.000 0.742 51 G HN 0.270 nan 8.290 nan 0.000 0.790 52 c N 1.047 119.616 118.600 -0.053 0.000 2.359 52 c HA -0.098 4.485 4.570 0.022 0.000 0.277 52 c C 2.801 176.809 174.090 -0.137 0.000 1.192 52 c CA 0.715 56.982 56.329 -0.104 0.000 1.759 52 c CB -1.273 41.186 42.510 -0.084 0.000 2.038 52 c HN 0.418 nan 8.230 nan 0.000 0.448 53 I N 2.385 122.891 120.570 -0.108 0.000 2.069 53 I HA -0.144 4.039 4.170 0.022 0.000 0.237 53 I C 0.148 176.177 176.117 -0.146 0.000 1.053 53 I CA 2.065 63.289 61.300 -0.127 0.000 1.311 53 I CB -2.882 35.053 38.000 -0.109 0.000 1.030 53 I HN 0.282 nan 8.210 nan 0.000 0.398 54 P HA -0.113 nan 4.420 nan 0.000 0.218 54 P C 1.645 178.895 177.300 -0.083 0.000 1.149 54 P CA 1.619 64.641 63.100 -0.130 0.000 0.817 54 P CB -0.223 31.416 31.700 -0.103 0.000 0.785 55 T N 0.209 114.725 114.554 -0.064 0.000 2.777 55 T HA -0.086 4.277 4.350 0.022 0.000 0.266 55 T C 1.861 176.546 174.700 -0.025 0.000 1.040 55 T CA 1.565 63.649 62.100 -0.027 0.000 1.141 55 T CB -0.371 68.483 68.868 -0.023 0.000 0.868 55 T HN 0.084 nan 8.240 nan 0.000 0.444 56 K N 1.371 121.716 120.400 -0.092 0.000 2.097 56 K HA 0.163 4.496 4.320 0.022 0.000 0.205 56 K C 2.328 178.959 176.600 0.051 0.000 1.050 56 K CA 1.023 57.265 56.287 -0.075 0.000 0.938 56 K CB -0.554 31.824 32.500 -0.204 0.000 0.718 56 K HN 0.296 nan 8.250 nan 0.000 0.442 57 A N 0.600 123.415 122.820 -0.009 0.000 1.877 57 A HA -0.134 4.199 4.320 0.022 0.000 0.216 57 A C 2.096 179.854 177.584 0.291 0.000 1.186 57 A CA 1.336 53.401 52.037 0.046 0.000 0.620 57 A CB -0.674 18.076 19.000 -0.417 0.000 0.822 57 A HN 0.199 nan 8.150 nan 0.000 0.443 58 L N -0.775 120.536 121.223 0.146 0.000 2.017 58 L HA -0.181 4.172 4.340 0.022 0.000 0.208 58 L C 2.581 179.543 176.870 0.154 0.000 1.073 58 L CA 1.116 56.048 54.840 0.154 0.000 0.745 58 L CB -0.602 41.497 42.059 0.066 0.000 0.894 58 L HN 0.361 nan 8.230 nan 0.000 0.432 59 L N -0.935 120.375 121.223 0.144 0.000 2.079 59 L HA -0.270 4.083 4.340 0.022 0.000 0.210 59 L C 2.674 179.647 176.870 0.172 0.000 1.081 59 L CA 1.229 56.154 54.840 0.142 0.000 0.752 59 L CB -0.625 41.526 42.059 0.154 0.000 0.896 59 L HN 0.324 nan 8.230 nan 0.000 0.433 60 H N -0.108 119.054 119.070 0.154 0.000 2.326 60 H HA -0.116 4.453 4.556 0.021 0.000 0.301 60 H C 2.128 177.525 175.328 0.116 0.000 1.081 60 H CA 1.527 57.667 56.048 0.153 0.000 1.334 60 H CB 0.028 29.921 29.762 0.219 0.000 1.385 60 H HN 0.260 nan 8.280 nan 0.000 0.504 61 A N 0.913 123.779 122.820 0.077 0.000 1.908 61 A HA -0.098 4.235 4.320 0.022 0.000 0.218 61 A C 2.625 180.174 177.584 -0.058 0.000 1.181 61 A CA 1.912 53.919 52.037 -0.051 0.000 0.627 61 A CB -1.409 17.641 19.000 0.084 0.000 0.818 61 A HN 0.625 nan 8.150 nan 0.000 0.445 62 A N -0.334 122.492 122.820 0.010 0.000 1.933 62 A HA -0.142 4.191 4.320 0.022 0.000 0.218 62 A C 1.978 179.584 177.584 0.035 0.000 1.175 62 A CA 2.162 54.211 52.037 0.021 0.000 0.628 62 A CB -0.427 18.592 19.000 0.031 0.000 0.814 62 A HN 0.583 nan 8.150 nan 0.000 0.444 63 E N -0.316 119.889 120.200 0.009 0.000 2.107 63 E HA -0.087 4.276 4.350 0.022 0.000 0.191 63 E C 1.905 178.522 176.600 0.028 0.000 0.982 63 E CA 1.875 58.301 56.400 0.043 0.000 0.809 63 E CB -0.616 29.101 29.700 0.028 0.000 0.756 63 E HN 0.459 nan 8.360 nan 0.000 0.459 64 T N 1.137 115.615 114.554 -0.126 0.000 2.708 64 T HA -0.137 4.226 4.350 0.022 0.000 0.266 64 T C 1.647 176.339 174.700 -0.013 0.000 1.037 64 T CA 1.297 63.325 62.100 -0.120 0.000 1.146 64 T CB -0.380 68.328 68.868 -0.268 0.000 0.865 64 T HN 0.157 nan 8.240 nan 0.000 0.435 65 L N 0.739 121.954 121.223 -0.014 0.000 1.994 65 L HA -0.054 4.299 4.340 0.022 0.000 0.208 65 L C 2.298 179.192 176.870 0.039 0.000 1.071 65 L CA 2.106 56.948 54.840 0.005 0.000 0.745 65 L CB -0.977 41.085 42.059 0.005 0.000 0.892 65 L HN 0.345 nan 8.230 nan 0.000 0.431 66 H N -1.674 117.399 119.070 0.006 0.000 2.319 66 H HA -0.265 4.304 4.556 0.022 0.000 0.299 66 H C 2.217 177.574 175.328 0.048 0.000 1.092 66 H CA 2.258 58.321 56.048 0.024 0.000 1.302 66 H CB -0.216 29.571 29.762 0.041 0.000 1.373 66 H HN 0.615 nan 8.280 nan 0.000 0.497 67 H N -0.221 118.837 119.070 -0.020 0.000 2.518 67 H HA -0.017 4.551 4.556 0.022 0.000 0.289 67 H C 2.021 177.271 175.328 -0.130 0.000 1.051 67 H CA 1.063 57.076 56.048 -0.058 0.000 1.280 67 H CB -0.231 29.561 29.762 0.049 0.000 1.380 67 H HN 0.393 nan 8.280 nan 0.000 0.566 68 L N -0.216 120.930 121.223 -0.129 0.000 2.265 68 L HA -0.159 4.194 4.340 0.022 0.000 0.215 68 L C 2.199 178.893 176.870 -0.294 0.000 1.117 68 L CA 1.113 55.837 54.840 -0.194 0.000 0.782 68 L CB -0.196 41.798 42.059 -0.108 0.000 0.914 68 L HN 0.308 nan 8.230 nan 0.000 0.441 69 K N -0.378 119.832 120.400 -0.316 0.000 2.001 69 K HA -0.122 4.211 4.320 0.022 0.000 0.208 69 K C 2.042 178.426 176.600 -0.360 0.000 1.048 69 K CA 1.103 57.205 56.287 -0.308 0.000 0.932 69 K CB -0.346 31.957 32.500 -0.329 0.000 0.715 69 K HN 0.032 nan 8.250 nan 0.000 0.437 70 V N 1.645 121.297 119.914 -0.435 0.000 2.490 70 V HA -0.238 3.895 4.120 0.022 0.000 0.250 70 V C 2.277 177.978 176.094 -0.655 0.000 1.061 70 V CA 1.931 63.969 62.300 -0.437 0.000 1.064 70 V CB -0.609 30.976 31.823 -0.395 0.000 0.670 70 V HN 0.384 nan 8.190 nan 0.000 0.461 71 A N -0.592 121.707 122.820 -0.869 0.000 2.070 71 A HA -0.236 4.097 4.320 0.022 0.000 0.220 71 A C 2.096 179.014 177.584 -1.109 0.000 1.159 71 A CA 1.648 52.830 52.037 -1.426 0.000 0.656 71 A CB -0.430 18.090 19.000 -0.800 0.000 0.800 71 A HN 0.649 nan 8.150 nan 0.000 0.453 72 E N -0.610 119.238 120.200 -0.586 0.000 2.204 72 E HA -0.136 4.227 4.350 0.022 0.000 0.195 72 E C 2.028 178.432 176.600 -0.326 0.000 0.990 72 E CA 0.656 56.840 56.400 -0.361 0.000 0.821 72 E CB -0.328 29.229 29.700 -0.238 0.000 0.750 72 E HN 0.648 nan 8.360 nan 0.000 0.477 73 G N 1.276 109.850 108.800 -0.377 0.000 2.448 73 G HA2 -0.223 3.750 3.960 0.022 0.000 0.219 73 G HA3 -0.223 3.750 3.960 0.022 0.000 0.219 73 G C 0.953 175.804 174.900 -0.081 0.000 1.127 73 G CA 0.544 45.524 45.100 -0.201 0.000 0.766 73 G HN 0.338 nan 8.290 nan 0.000 0.552 74 F N -1.237 118.681 119.950 -0.053 0.000 2.850 74 F HA 0.590 5.130 4.527 0.021 0.000 0.306 74 F C 1.247 177.029 175.800 -0.030 0.000 1.162 74 F CA -1.644 56.335 58.000 -0.034 0.000 1.327 74 F CB -0.039 38.946 39.000 -0.026 0.000 0.953 74 F HN 0.109 nan 8.300 nan 0.000 0.507 75 G N 0.870 109.696 108.800 0.044 0.000 2.176 75 G HA2 -0.284 3.689 3.960 0.022 0.000 0.253 75 G HA3 -0.284 3.689 3.960 0.022 0.000 0.253 75 G C -0.156 174.752 174.900 0.014 0.000 0.979 75 G CA 0.044 45.168 45.100 0.040 0.000 0.641 75 G HN 0.536 nan 8.290 nan 0.000 0.530 76 L N 1.092 122.283 121.223 -0.054 0.000 2.295 76 L HA 0.616 4.969 4.340 0.022 0.000 0.288 76 L C 0.621 177.431 176.870 -0.100 0.000 1.079 76 L CA 0.274 55.086 54.840 -0.046 0.000 0.830 76 L CB 0.305 42.338 42.059 -0.044 0.000 1.200 76 L HN 0.287 nan 8.230 nan 0.000 0.438 77 K N 4.266 124.632 120.400 -0.056 0.000 2.367 77 K HA 0.822 5.155 4.320 0.022 0.000 0.263 77 K C -0.685 175.888 176.600 -0.046 0.000 1.000 77 K CA 0.113 56.363 56.287 -0.062 0.000 0.891 77 K CB 1.578 34.050 32.500 -0.046 0.000 1.117 77 K HN 0.778 nan 8.250 nan 0.000 0.443 81 P HA 0.113 nan 4.420 nan 0.000 0.267 81 P C -0.700 176.584 177.300 -0.027 0.000 1.205 81 P CA 0.298 63.378 63.100 -0.034 0.000 0.765 81 P CB 0.988 32.663 31.700 -0.040 0.000 0.828 82 E N 2.939 123.125 120.200 -0.024 0.000 2.283 82 E HA 0.386 4.749 4.350 0.022 0.000 0.258 82 E C -1.443 175.145 176.600 -0.020 0.000 0.893 82 E CA -0.869 55.520 56.400 -0.018 0.000 0.798 82 E CB 1.230 30.921 29.700 -0.015 0.000 1.242 82 E HN 0.528 nan 8.360 nan 0.000 0.414 83 L N 2.493 123.706 121.223 -0.017 0.000 2.261 83 L HA 0.411 4.764 4.340 0.022 0.000 0.289 83 L C -0.337 176.527 176.870 -0.009 0.000 1.059 83 L CA -0.649 54.180 54.840 -0.018 0.000 0.816 83 L CB 1.584 43.632 42.059 -0.018 0.000 1.191 83 L HN 0.599 nan 8.230 nan 0.000 0.431 84 D N 4.583 124.978 120.400 -0.008 0.000 2.352 84 D HA 0.071 4.724 4.640 0.022 0.000 0.245 84 D C 1.148 177.453 176.300 0.009 0.000 1.224 84 D CA 0.070 54.071 54.000 0.001 0.000 0.879 84 D CB 0.623 41.424 40.800 0.002 0.000 1.057 84 D HN 0.641 nan 8.370 nan 0.000 0.491 85 L N 3.136 124.364 121.223 0.008 0.000 2.127 85 L HA -0.178 4.175 4.340 0.022 0.000 0.211 85 L C 2.224 179.107 176.870 0.020 0.000 1.089 85 L CA 0.885 55.731 54.840 0.010 0.000 0.757 85 L CB -0.360 41.699 42.059 0.000 0.000 0.899 85 L HN 0.315 nan 8.230 nan 0.000 0.434 86 K N 0.632 121.043 120.400 0.020 0.000 2.057 86 K HA -0.170 4.163 4.320 0.022 0.000 0.207 86 K C 2.183 178.805 176.600 0.037 0.000 1.049 86 K CA 1.405 57.706 56.287 0.023 0.000 0.931 86 K CB -0.114 32.397 32.500 0.018 0.000 0.714 86 K HN -0.094 nan 8.250 nan 0.000 0.440 87 K N 0.375 120.798 120.400 0.039 0.000 2.097 87 K HA -0.090 4.243 4.320 0.022 0.000 0.205 87 K C 1.995 178.658 176.600 0.104 0.000 1.050 87 K CA 1.016 57.337 56.287 0.056 0.000 0.938 87 K CB -0.463 32.055 32.500 0.031 0.000 0.718 87 K HN 0.200 nan 8.250 nan 0.000 0.442 88 L N 0.584 121.864 121.223 0.096 0.000 2.017 88 L HA -0.060 4.293 4.340 0.022 0.000 0.208 88 L C 2.125 179.105 176.870 0.183 0.000 1.073 88 L CA 2.399 57.337 54.840 0.164 0.000 0.745 88 L CB -1.200 40.922 42.059 0.105 0.000 0.894 88 L HN 0.204 nan 8.230 nan 0.000 0.432 89 G N -1.013 107.842 108.800 0.092 0.000 2.440 89 G HA2 -0.240 3.732 3.960 0.022 0.000 0.218 89 G HA3 -0.240 3.732 3.960 0.022 0.000 0.218 89 G C 1.516 176.448 174.900 0.053 0.000 1.154 89 G CA 0.648 45.778 45.100 0.050 0.000 0.767 89 G HN 0.620 nan 8.290 nan 0.000 0.552 90 G N -0.205 108.642 108.800 0.079 0.000 2.418 90 G HA2 -0.229 3.744 3.960 0.022 0.000 0.217 90 G HA3 -0.229 3.744 3.960 0.022 0.000 0.217 90 G C 1.579 176.548 174.900 0.115 0.000 1.158 90 G CA 0.980 46.125 45.100 0.075 0.000 0.771 90 G HN 0.488 nan 8.290 nan 0.000 0.545 91 W N 1.505 122.802 121.300 -0.005 0.000 2.381 91 W HA -0.020 4.653 4.660 0.023 0.000 0.301 91 W C 2.645 179.162 176.519 -0.003 0.000 1.205 91 W CA 1.454 58.799 57.345 -0.000 0.000 1.285 91 W CB -0.290 29.175 29.460 0.009 0.000 1.133 91 W HN 0.120 nan 8.180 nan 0.000 0.521 92 R N 0.439 120.836 120.500 -0.171 0.000 2.096 92 R HA -0.208 4.144 4.340 0.022 0.000 0.240 92 R C 1.770 177.893 176.300 -0.294 0.000 1.139 92 R CA 2.340 58.215 56.100 -0.376 0.000 0.952 92 R CB -0.844 29.368 30.300 -0.146 0.000 0.854 92 R HN 0.094 nan 8.270 nan 0.000 0.436 93 D N 0.168 120.477 120.400 -0.152 0.000 2.144 93 D HA -0.217 4.436 4.640 0.022 0.000 0.199 93 D C 1.853 178.075 176.300 -0.130 0.000 0.984 93 D CA 1.162 55.093 54.000 -0.115 0.000 0.834 93 D CB -0.272 40.493 40.800 -0.058 0.000 0.955 93 D HN 0.447 nan 8.370 nan 0.000 0.465 94 Q N 0.633 120.353 119.800 -0.133 0.000 2.050 94 Q HA -0.127 4.226 4.340 0.022 0.000 0.202 94 Q C 2.136 178.031 176.000 -0.175 0.000 0.980 94 Q CA 1.159 56.897 55.803 -0.108 0.000 0.840 94 Q CB 0.091 28.812 28.738 -0.028 0.000 0.898 94 Q HN 0.080 nan 8.270 nan 0.000 0.424 95 V N 0.332 120.043 119.914 -0.340 0.000 2.287 95 V HA -0.261 3.872 4.120 0.022 0.000 0.248 95 V C 2.406 178.367 176.094 -0.221 0.000 1.053 95 V CA 1.608 63.705 62.300 -0.337 0.000 1.027 95 V CB -0.511 30.962 31.823 -0.583 0.000 0.646 95 V HN 0.270 nan 8.190 nan 0.000 0.447 96 V N -0.004 119.781 119.914 -0.215 0.000 2.287 96 V HA -0.321 3.812 4.120 0.022 0.000 0.248 96 V C 2.441 178.468 176.094 -0.112 0.000 1.053 96 V CA 2.517 64.728 62.300 -0.148 0.000 1.027 96 V CB -0.689 31.054 31.823 -0.133 0.000 0.646 96 V HN 0.582 nan 8.190 nan 0.000 0.447 97 K N -0.171 120.167 120.400 -0.103 0.000 2.097 97 K HA -0.231 4.102 4.320 0.022 0.000 0.206 97 K C 2.375 178.930 176.600 -0.075 0.000 1.049 97 K CA 1.336 57.576 56.287 -0.078 0.000 0.933 97 K CB -0.124 32.338 32.500 -0.064 0.000 0.717 97 K HN 0.160 nan 8.250 nan 0.000 0.442 98 K N 1.202 121.554 120.400 -0.080 0.000 2.026 98 K HA -0.101 4.232 4.320 0.022 0.000 0.208 98 K C 2.114 178.668 176.600 -0.076 0.000 1.048 98 K CA 1.326 57.573 56.287 -0.068 0.000 0.929 98 K CB -0.357 32.106 32.500 -0.062 0.000 0.713 98 K HN 0.228 nan 8.250 nan 0.000 0.439 99 L N 0.639 121.809 121.223 -0.088 0.000 2.027 99 L HA -0.163 4.190 4.340 0.022 0.000 0.206 99 L C 2.548 179.351 176.870 -0.112 0.000 1.074 99 L CA 1.869 56.655 54.840 -0.091 0.000 0.745 99 L CB -0.961 41.049 42.059 -0.082 0.000 0.898 99 L HN 0.296 nan 8.230 nan 0.000 0.433 100 T N -2.964 111.529 114.554 -0.101 0.000 2.788 100 T HA -0.120 4.243 4.350 0.022 0.000 0.268 100 T C 1.914 176.547 174.700 -0.112 0.000 1.044 100 T CA 1.098 63.134 62.100 -0.107 0.000 1.139 100 T CB -0.954 67.867 68.868 -0.079 0.000 0.867 100 T HN 0.393 nan 8.240 nan 0.000 0.454 101 G N 0.991 109.736 108.800 -0.091 0.000 2.422 101 G HA2 0.146 4.119 3.960 0.022 0.000 0.218 101 G HA3 0.146 4.119 3.960 0.022 0.000 0.218 101 G C 1.669 176.512 174.900 -0.095 0.000 1.140 101 G CA 0.547 45.599 45.100 -0.081 0.000 0.775 101 G HN 0.656 nan 8.290 nan 0.000 0.545 102 G N 0.396 109.131 108.800 -0.107 0.000 2.408 102 G HA2 -0.088 3.885 3.960 0.022 0.000 0.217 102 G HA3 -0.088 3.885 3.960 0.022 0.000 0.217 102 G C 1.722 176.520 174.900 -0.169 0.000 1.150 102 G CA 1.065 46.096 45.100 -0.116 0.000 0.776 102 G HN 0.300 nan 8.290 nan 0.000 0.542 103 V N 1.507 121.275 119.914 -0.242 0.000 2.358 103 V HA -0.046 4.087 4.120 0.022 0.000 0.246 103 V C 3.128 179.078 176.094 -0.240 0.000 1.047 103 V CA 1.957 64.028 62.300 -0.380 0.000 1.035 103 V CB -0.949 30.541 31.823 -0.556 0.000 0.658 103 V HN 0.420 nan 8.190 nan 0.000 0.452 104 G N -0.549 108.152 108.800 -0.165 0.000 2.422 104 G HA2 -0.235 3.737 3.960 0.022 0.000 0.218 104 G HA3 -0.235 3.737 3.960 0.022 0.000 0.218 104 G C 1.690 176.536 174.900 -0.089 0.000 1.146 104 G CA 1.547 46.581 45.100 -0.109 0.000 0.769 104 G HN 0.469 nan 8.290 nan 0.000 0.547 105 T N 1.149 115.649 114.554 -0.090 0.000 2.821 105 T HA 0.029 4.392 4.350 0.022 0.000 0.267 105 T C 2.415 177.074 174.700 -0.070 0.000 1.046 105 T CA 0.645 62.703 62.100 -0.069 0.000 1.139 105 T CB -0.125 68.705 68.868 -0.063 0.000 0.871 105 T HN 0.147 nan 8.240 nan 0.000 0.454 106 L N 0.347 121.513 121.223 -0.095 0.000 2.056 106 L HA 0.000 4.353 4.340 0.022 0.000 0.207 106 L C 2.423 179.252 176.870 -0.068 0.000 1.078 106 L CA 0.964 55.752 54.840 -0.087 0.000 0.749 106 L CB -0.528 41.458 42.059 -0.121 0.000 0.901 106 L HN 0.250 nan 8.230 nan 0.000 0.433 107 L N -0.212 120.966 121.223 -0.077 0.000 2.017 107 L HA -0.237 4.116 4.340 0.022 0.000 0.208 107 L C 2.716 179.565 176.870 -0.035 0.000 1.073 107 L CA 1.204 56.014 54.840 -0.050 0.000 0.745 107 L CB -0.468 41.559 42.059 -0.053 0.000 0.894 107 L HN 0.197 nan 8.230 nan 0.000 0.432 108 K N 0.773 121.150 120.400 -0.038 0.000 2.057 108 K HA -0.109 4.224 4.320 0.022 0.000 0.207 108 K C 1.902 178.490 176.600 -0.021 0.000 1.049 108 K CA 1.608 57.880 56.287 -0.025 0.000 0.931 108 K CB -0.868 31.616 32.500 -0.026 0.000 0.714 108 K HN 0.220 nan 8.250 nan 0.000 0.440 109 G N 0.237 109.020 108.800 -0.028 0.000 2.448 109 G HA2 -0.222 3.751 3.960 0.022 0.000 0.219 109 G HA3 -0.222 3.751 3.960 0.022 0.000 0.219 109 G C 1.305 176.194 174.900 -0.019 0.000 1.127 109 G CA 0.695 45.781 45.100 -0.024 0.000 0.766 109 G HN 0.374 nan 8.290 nan 0.000 0.552 110 N N 0.472 119.160 118.700 -0.020 0.000 2.336 110 N HA 0.079 4.832 4.740 0.022 0.000 0.189 110 N C 1.607 177.114 175.510 -0.004 0.000 1.113 110 N CA 0.752 53.794 53.050 -0.014 0.000 0.858 110 N CB 0.476 38.952 38.487 -0.017 0.000 0.970 110 N HN 0.368 nan 8.380 nan 0.000 0.471 111 G N 0.699 109.498 108.800 -0.002 0.000 2.143 111 G HA2 -0.257 3.716 3.960 0.022 0.000 0.248 111 G HA3 -0.257 3.716 3.960 0.022 0.000 0.248 111 G C 0.079 174.989 174.900 0.016 0.000 0.991 111 G CA 0.064 45.170 45.100 0.009 0.000 0.689 111 G HN 0.164 nan 8.290 nan 0.000 0.522 112 V N 0.607 120.523 119.914 0.003 0.000 2.583 112 V HA 0.405 4.538 4.120 0.022 0.000 0.287 112 V C 0.803 176.894 176.094 -0.005 0.000 1.051 112 V CA -0.229 62.070 62.300 -0.001 0.000 1.010 112 V CB 1.767 33.581 31.823 -0.016 0.000 0.988 112 V HN 0.440 nan 8.190 nan 0.000 0.478 113 E N 3.390 123.587 120.200 -0.005 0.000 2.229 113 E HA 0.406 4.768 4.350 0.022 0.000 0.283 113 E C -1.139 175.423 176.600 -0.063 0.000 1.030 113 E CA -0.729 55.667 56.400 -0.006 0.000 0.836 113 E CB 1.365 31.096 29.700 0.052 0.000 1.068 113 E HN 0.529 nan 8.360 nan 0.000 0.401 114 L N 6.071 127.264 121.223 -0.050 0.000 2.296 114 L HA 0.427 4.780 4.340 0.022 0.000 0.286 114 L C -1.655 175.170 176.870 -0.075 0.000 1.023 114 L CA -0.660 54.137 54.840 -0.071 0.000 0.812 114 L CB 1.352 43.380 42.059 -0.052 0.000 1.223 114 L HN 0.539 nan 8.230 nan 0.000 0.421 115 L N 5.375 126.528 121.223 -0.116 0.000 2.362 115 L HA 0.616 4.969 4.340 0.022 0.000 0.275 115 L C -0.755 176.058 176.870 -0.096 0.000 0.998 115 L CA -0.289 54.481 54.840 -0.116 0.000 0.820 115 L CB 1.485 43.410 42.059 -0.224 0.000 1.270 115 L HN 0.626 nan 8.230 nan 0.000 0.415 116 R N 4.027 124.495 120.500 -0.052 0.000 2.265 116 R HA 0.847 5.200 4.340 0.022 0.000 0.319 116 R C -0.285 176.007 176.300 -0.014 0.000 1.006 116 R CA -0.362 55.719 56.100 -0.031 0.000 0.880 116 R CB 1.356 31.648 30.300 -0.012 0.000 1.077 116 R HN 0.945 nan 8.270 nan 0.000 0.454 117 G N 1.906 110.704 108.800 -0.002 0.000 2.352 117 G HA2 0.078 4.051 3.960 0.022 0.000 0.302 117 G HA3 0.078 4.051 3.960 0.022 0.000 0.302 117 G C -2.018 172.922 174.900 0.065 0.000 1.370 117 G CA -1.003 44.125 45.100 0.046 0.000 0.918 117 G HN 0.383 nan 8.290 nan 0.000 0.610 118 F N 1.946 121.884 119.950 -0.020 0.000 2.391 118 F HA 0.681 5.210 4.527 0.004 0.000 0.359 118 F C 0.704 176.495 175.800 -0.015 0.000 1.122 118 F CA 0.099 58.088 58.000 -0.018 0.000 1.120 118 F CB 0.945 39.939 39.000 -0.009 0.000 1.142 118 F HN 0.792 nan 8.300 nan 0.000 0.483 119 A N 7.256 129.856 122.820 -0.366 0.000 2.327 119 A HA 0.802 5.135 4.320 0.022 0.000 0.283 119 A C -0.458 177.005 177.584 -0.202 0.000 1.127 119 A CA -0.602 51.307 52.037 -0.213 0.000 0.810 119 A CB 0.622 19.486 19.000 -0.227 0.000 1.066 119 A HN 0.876 nan 8.150 nan 0.000 0.492 120 R N 1.246 121.737 120.500 -0.015 0.000 2.604 120 R HA 0.446 4.799 4.340 0.022 0.000 0.281 120 R C -1.680 174.642 176.300 0.037 0.000 1.020 120 R CA -0.914 55.209 56.100 0.039 0.000 0.899 120 R CB 1.496 31.878 30.300 0.136 0.000 1.205 120 R HN 0.529 nan 8.270 nan 0.000 0.450 121 L N 2.064 123.303 121.223 0.026 0.000 2.417 121 L HA 0.162 4.515 4.340 0.022 0.000 0.268 121 L C 1.176 178.071 176.870 0.042 0.000 1.158 121 L CA 0.317 55.176 54.840 0.031 0.000 0.819 121 L CB 1.434 43.504 42.059 0.019 0.000 1.112 121 L HN 0.677 nan 8.230 nan 0.000 0.458 122 V N -1.581 118.359 119.914 0.044 0.000 3.398 122 V HA 0.787 4.920 4.120 0.022 0.000 0.298 122 V C 0.402 176.515 176.094 0.032 0.000 1.496 122 V CA 0.452 62.776 62.300 0.040 0.000 1.044 122 V CB 0.044 31.894 31.823 0.046 0.000 0.880 122 V HN 0.782 nan 8.190 nan 0.000 0.443 123 G N -0.330 108.488 108.800 0.031 0.000 2.550 123 G HA2 0.531 4.504 3.960 0.022 0.000 0.293 123 G HA3 0.531 4.504 3.960 0.022 0.000 0.293 123 G C -2.867 172.047 174.900 0.022 0.000 1.402 123 G CA -0.258 44.857 45.100 0.025 0.000 0.784 123 G HN -0.088 nan 8.290 nan 0.000 0.482 124 P HA 0.002 nan 4.420 nan 0.000 0.216 124 P C 0.918 178.228 177.300 0.017 0.000 1.150 124 P CA 1.317 64.423 63.100 0.010 0.000 0.837 124 P CB 0.291 31.994 31.700 0.005 0.000 0.786 125 K N -0.979 119.438 120.400 0.029 0.000 2.592 125 K HA 0.238 4.571 4.320 0.022 0.000 0.203 125 K C -0.111 176.525 176.600 0.061 0.000 1.070 125 K CA 0.031 56.344 56.287 0.043 0.000 1.062 125 K CB 1.101 33.627 32.500 0.043 0.000 0.814 125 K HN 0.250 nan 8.250 nan 0.000 0.502 126 E N 0.916 121.150 120.200 0.058 0.000 2.248 126 E HA 0.399 4.762 4.350 0.022 0.000 0.267 126 E C -1.232 175.417 176.600 0.082 0.000 0.877 126 E CA -0.676 55.771 56.400 0.077 0.000 0.759 126 E CB 1.904 31.641 29.700 0.061 0.000 1.182 126 E HN -0.223 nan 8.360 nan 0.000 0.418 127 V N 3.109 123.095 119.914 0.122 0.000 2.769 127 V HA 0.416 4.549 4.120 0.022 0.000 0.312 127 V C -0.528 175.677 176.094 0.185 0.000 1.061 127 V CA -0.800 61.568 62.300 0.113 0.000 0.931 127 V CB 1.843 33.706 31.823 0.067 0.000 1.010 127 V HN 0.741 nan 8.190 nan 0.000 0.433 128 E N 2.074 122.361 120.200 0.143 0.000 2.176 128 E HA 0.737 5.100 4.350 0.022 0.000 0.267 128 E C -1.604 175.097 176.600 0.168 0.000 0.893 128 E CA -0.302 56.203 56.400 0.176 0.000 0.761 128 E CB 2.040 31.810 29.700 0.117 0.000 1.133 128 E HN 0.495 nan 8.360 nan 0.000 0.409 135 G N -0.316 108.544 108.800 0.100 0.000 2.217 135 G HA2 -0.224 3.749 3.960 0.022 0.000 0.246 135 G HA3 -0.224 3.749 3.960 0.022 0.000 0.246 135 G C 0.065 175.001 174.900 0.059 0.000 0.990 135 G CA 0.402 45.544 45.100 0.070 0.000 0.627 135 G HN 0.514 nan 8.290 nan 0.000 0.522 136 E N 0.494 120.749 120.200 0.092 0.000 2.248 136 E HA 0.609 4.972 4.350 0.022 0.000 0.272 136 E C 0.196 176.782 176.600 -0.023 0.000 1.008 136 E CA -0.611 55.785 56.400 -0.005 0.000 0.856 136 E CB 0.962 30.643 29.700 -0.031 0.000 1.120 136 E HN 0.235 nan 8.360 nan 0.000 0.397 137 R N 1.823 122.197 120.500 -0.211 0.000 2.460 137 R HA 0.440 4.793 4.340 0.022 0.000 0.303 137 R C -0.784 175.323 176.300 -0.322 0.000 0.968 137 R CA -0.700 55.331 56.100 -0.115 0.000 0.889 137 R CB 0.542 30.811 30.300 -0.051 0.000 1.123 137 R HN 0.452 nan 8.270 nan 0.000 0.455 138 Y N -0.695 119.654 120.300 0.082 0.000 2.425 138 Y HA 0.614 5.174 4.550 0.016 0.000 0.344 138 Y C 0.803 176.777 175.900 0.123 0.000 0.969 138 Y CA -0.930 57.255 58.100 0.141 0.000 1.052 138 Y CB 2.498 41.053 38.460 0.158 0.000 1.215 138 Y HN 0.723 nan 8.280 nan 0.000 0.451 139 G N 0.557 109.521 108.800 0.272 0.000 2.498 139 G HA2 0.860 4.833 3.960 0.022 0.000 0.312 139 G HA3 0.860 4.833 3.960 0.022 0.000 0.312 139 G C -1.534 173.503 174.900 0.228 0.000 1.230 139 G CA -0.809 44.403 45.100 0.187 0.000 0.968 139 G HN 0.883 nan 8.290 nan 0.000 0.481 140 A N 0.363 123.281 122.820 0.163 0.000 2.608 140 A HA 0.679 5.012 4.320 0.022 0.000 0.292 140 A C 0.390 178.040 177.584 0.110 0.000 1.066 140 A CA -0.551 51.584 52.037 0.162 0.000 0.676 140 A CB 1.334 20.441 19.000 0.178 0.000 1.277 140 A HN 0.498 nan 8.150 nan 0.000 0.413 141 K N 0.311 120.772 120.400 0.102 0.000 2.148 141 K HA 0.142 4.475 4.320 0.022 0.000 0.204 141 K C 0.371 177.028 176.600 0.095 0.000 1.050 141 K CA 1.835 58.172 56.287 0.084 0.000 0.942 141 K CB 0.042 32.589 32.500 0.078 0.000 0.724 141 K HN 0.514 nan 8.250 nan 0.000 0.446 142 S N -0.604 115.165 115.700 0.115 0.000 2.569 142 S HA 0.598 5.081 4.470 0.022 0.000 0.280 142 S C -1.188 173.492 174.600 0.132 0.000 1.111 142 S CA -0.935 57.356 58.200 0.151 0.000 0.887 142 S CB 1.746 65.074 63.200 0.213 0.000 1.095 142 S HN -0.005 nan 8.310 nan 0.000 0.476 143 L N 2.249 123.562 121.223 0.151 0.000 2.386 143 L HA 0.639 4.992 4.340 0.022 0.000 0.271 143 L C -1.239 175.727 176.870 0.160 0.000 0.993 143 L CA -0.596 54.308 54.840 0.106 0.000 0.819 143 L CB 1.652 43.747 42.059 0.060 0.000 1.294 143 L HN 0.518 nan 8.230 nan 0.000 0.414 144 I N 4.119 124.745 120.570 0.093 0.000 2.410 144 I HA 0.342 4.525 4.170 0.022 0.000 0.286 144 I C -0.645 175.491 176.117 0.033 0.000 1.009 144 I CA -0.457 60.899 61.300 0.093 0.000 1.111 144 I CB 1.910 39.931 38.000 0.035 0.000 1.262 144 I HN 0.379 nan 8.210 nan 0.000 0.443 145 L N 6.736 127.983 121.223 0.040 0.000 2.259 145 L HA 0.577 4.930 4.340 0.022 0.000 0.288 145 L C 0.482 177.349 176.870 -0.004 0.000 1.051 145 L CA -0.223 54.618 54.840 0.001 0.000 0.824 145 L CB 1.074 43.135 42.059 0.004 0.000 1.206 145 L HN 0.693 nan 8.230 nan 0.000 0.429 146 A N 1.205 124.008 122.820 -0.027 0.000 3.253 146 A HA 0.305 4.638 4.320 0.022 0.000 0.290 146 A C 0.995 178.556 177.584 -0.038 0.000 0.950 146 A CA -0.296 51.725 52.037 -0.028 0.000 0.986 146 A CB -0.126 18.855 19.000 -0.031 0.000 1.104 146 A HN 0.728 nan 8.150 nan 0.000 0.481 147 T N -2.672 111.857 114.554 -0.042 0.000 3.148 147 T HA 0.412 4.774 4.350 0.022 0.000 0.253 147 T C 1.354 176.040 174.700 -0.024 0.000 1.134 147 T CA 0.950 63.019 62.100 -0.052 0.000 1.051 147 T CB -0.370 68.456 68.868 -0.069 0.000 0.959 147 T HN 1.997 nan 8.240 nan 0.000 0.525 148 G N 1.655 110.448 108.800 -0.012 0.000 2.575 148 G HA2 -0.096 3.877 3.960 0.022 0.000 0.267 148 G HA3 -0.096 3.877 3.960 0.022 0.000 0.267 148 G C -0.021 174.880 174.900 0.002 0.000 1.264 148 G CA 0.211 45.310 45.100 -0.001 0.000 0.935 148 G HN 1.585 nan 8.290 nan 0.000 0.568 149 S N -0.879 114.824 115.700 0.006 0.000 2.794 149 S HA 0.834 5.317 4.470 0.022 0.000 0.299 149 S C -0.674 173.927 174.600 0.002 0.000 1.179 149 S CA 0.372 58.572 58.200 -0.001 0.000 0.838 149 S CB 2.431 65.643 63.200 0.019 0.000 1.206 149 S HN 1.782 nan 8.310 nan 0.000 0.523 150 E N -0.762 119.439 120.200 0.002 0.000 2.408 150 E HA 0.582 4.945 4.350 0.022 0.000 0.275 150 E C -3.366 173.244 176.600 0.017 0.000 0.935 150 E CA -2.592 53.808 56.400 0.001 0.000 0.775 150 E CB 1.218 30.920 29.700 0.003 0.000 1.277 150 E HN 0.272 nan 8.360 nan 0.000 0.455 151 P HA -0.040 nan 4.420 nan 0.000 0.262 151 P C -0.713 176.689 177.300 0.170 0.000 1.182 151 P CA -0.194 62.934 63.100 0.048 0.000 0.761 151 P CB 0.223 31.854 31.700 -0.114 0.000 0.795 152 L N 3.552 124.886 121.223 0.185 0.000 2.319 152 L HA 0.193 4.546 4.340 0.022 0.000 0.280 152 L C 0.507 177.518 176.870 0.235 0.000 1.099 152 L CA -0.084 54.858 54.840 0.169 0.000 0.828 152 L CB -0.079 42.039 42.059 0.098 0.000 1.150 152 L HN 0.337 nan 8.230 nan 0.000 0.442 153 E N 4.421 124.725 120.200 0.173 0.000 2.373 153 E HA 0.197 4.560 4.350 0.022 0.000 0.267 153 E C -1.193 175.367 176.600 -0.067 0.000 1.032 153 E CA -0.421 55.967 56.400 -0.020 0.000 0.889 153 E CB 0.872 30.569 29.700 -0.004 0.000 0.984 153 E HN 0.697 nan 8.360 nan 0.000 0.425 154 L N 4.423 125.552 121.223 -0.156 0.000 2.307 154 L HA 0.313 4.666 4.340 0.022 0.000 0.284 154 L C -0.148 176.744 176.870 0.036 0.000 1.023 154 L CA -0.830 53.998 54.840 -0.020 0.000 0.810 154 L CB 1.196 43.258 42.059 0.005 0.000 1.231 154 L HN 0.449 nan 8.230 nan 0.000 0.423 155 K N 3.454 123.887 120.400 0.054 0.000 2.436 155 K HA 0.131 4.464 4.320 0.022 0.000 0.282 155 K C 0.720 177.344 176.600 0.041 0.000 1.044 155 K CA 1.169 57.476 56.287 0.033 0.000 1.028 155 K CB 0.251 32.767 32.500 0.027 0.000 0.919 155 K HN 0.949 nan 8.250 nan 0.000 0.474 156 G N 4.045 112.807 108.800 -0.063 0.000 2.175 156 G HA2 -0.243 3.729 3.960 0.022 0.000 0.244 156 G HA3 -0.243 3.729 3.960 0.022 0.000 0.244 156 G C 0.004 174.602 174.900 -0.503 0.000 0.982 156 G CA -0.007 44.939 45.100 -0.258 0.000 0.641 156 G HN 0.532 nan 8.290 nan 0.000 0.527 157 F N 2.013 121.956 119.950 -0.013 0.000 2.566 157 F HA 0.343 4.882 4.527 0.021 0.000 0.347 157 F C -1.920 173.762 175.800 -0.196 0.000 1.515 157 F CA -1.799 56.175 58.000 -0.045 0.000 1.103 157 F CB 1.483 40.407 39.000 -0.127 0.000 1.385 157 F HN -0.062 nan 8.300 nan 0.000 0.560 158 P HA -0.044 nan 4.420 nan 0.000 0.265 158 P C -0.164 177.112 177.300 -0.040 0.000 1.193 158 P CA 0.149 63.195 63.100 -0.090 0.000 0.765 158 P CB 0.644 32.346 31.700 0.002 0.000 0.823 159 F N 1.951 121.974 119.950 0.122 0.000 2.572 159 F HA 0.425 4.964 4.527 0.020 0.000 0.370 159 F C 1.694 177.569 175.800 0.125 0.000 1.103 159 F CA 1.539 59.613 58.000 0.123 0.000 1.286 159 F CB -0.082 38.978 39.000 0.101 0.000 1.105 159 F HN 0.552 nan 8.300 nan 0.000 0.583 160 G N 1.902 110.918 108.800 0.360 0.000 2.570 160 G HA2 0.181 4.154 3.960 0.022 0.000 0.310 160 G HA3 0.181 4.154 3.960 0.022 0.000 0.310 160 G C 0.060 175.135 174.900 0.291 0.000 1.266 160 G CA -0.565 44.691 45.100 0.260 0.000 0.825 160 G HN 0.287 nan 8.290 nan 0.000 0.483 161 E N 0.014 120.355 120.200 0.235 0.000 2.204 161 E HA -0.068 4.295 4.350 0.022 0.000 0.195 161 E C 1.032 177.827 176.600 0.325 0.000 0.990 161 E CA 1.271 57.833 56.400 0.269 0.000 0.821 161 E CB 0.153 29.963 29.700 0.185 0.000 0.750 161 E HN 0.415 nan 8.360 nan 0.000 0.477 162 D N -0.580 119.927 120.400 0.179 0.000 2.389 162 D HA 0.049 4.702 4.640 0.022 0.000 0.206 162 D C -0.107 176.068 176.300 -0.208 0.000 1.055 162 D CA 0.159 54.148 54.000 -0.019 0.000 0.856 162 D CB 1.129 41.935 40.800 0.010 0.000 0.957 162 D HN -0.111 nan 8.370 nan 0.000 0.509 163 V N 2.249 122.174 119.914 0.018 0.000 2.349 163 V HA 0.261 4.394 4.120 0.022 0.000 0.284 163 V C -0.602 175.725 176.094 0.388 0.000 1.014 163 V CA -0.962 61.361 62.300 0.039 0.000 0.826 163 V CB 1.265 33.142 31.823 0.090 0.000 1.009 163 V HN -0.011 nan 8.190 nan 0.000 0.431 164 W N 2.725 124.104 121.300 0.132 0.000 2.436 164 W HA 0.615 5.287 4.660 0.021 0.000 0.347 164 W C 0.191 176.797 176.519 0.146 0.000 1.136 164 W CA -1.171 56.238 57.345 0.108 0.000 1.286 164 W CB 0.936 30.395 29.460 -0.003 0.000 1.253 164 W HN 0.683 nan 8.180 nan 0.000 0.617 165 D N -1.456 119.014 120.400 0.118 0.000 2.494 165 D HA 0.220 4.872 4.640 0.022 0.000 0.259 165 D C 1.087 177.381 176.300 -0.010 0.000 1.109 165 D CA -0.487 53.435 54.000 -0.130 0.000 1.040 165 D CB 0.219 40.548 40.800 -0.785 0.000 1.175 165 D HN 0.192 nan 8.370 nan 0.000 0.584 166 S N -0.910 114.777 115.700 -0.022 0.000 2.400 166 S HA -0.199 4.284 4.470 0.022 0.000 0.232 166 S C 1.718 176.303 174.600 -0.026 0.000 1.025 166 S CA 1.609 59.816 58.200 0.011 0.000 0.993 166 S CB -1.144 62.064 63.200 0.012 0.000 0.808 166 S HN 0.593 nan 8.310 nan 0.000 0.478 167 T N 2.058 116.561 114.554 -0.085 0.000 2.746 167 T HA -0.037 4.326 4.350 0.022 0.000 0.267 167 T C 1.934 176.554 174.700 -0.135 0.000 1.039 167 T CA 1.659 63.698 62.100 -0.101 0.000 1.142 167 T CB -0.321 68.475 68.868 -0.121 0.000 0.866 167 T HN 0.439 nan 8.240 nan 0.000 0.444 168 R N 1.953 122.342 120.500 -0.185 0.000 2.075 168 R HA 0.165 4.518 4.340 0.022 0.000 0.232 168 R C 2.339 178.392 176.300 -0.412 0.000 1.126 168 R CA 1.658 57.547 56.100 -0.353 0.000 0.963 168 R CB -1.058 28.951 30.300 -0.485 0.000 0.858 168 R HN 0.308 nan 8.270 nan 0.000 0.435 169 A N 0.649 123.373 122.820 -0.161 0.000 2.024 169 A HA -0.094 4.239 4.320 0.022 0.000 0.220 169 A C 2.183 179.857 177.584 0.150 0.000 1.164 169 A CA 1.438 53.519 52.037 0.073 0.000 0.643 169 A CB -0.633 18.505 19.000 0.231 0.000 0.806 169 A HN 0.387 nan 8.150 nan 0.000 0.451 170 L N -0.682 120.555 121.223 0.023 0.000 2.191 170 L HA -0.091 4.262 4.340 0.022 0.000 0.212 170 L C 0.654 177.506 176.870 -0.030 0.000 1.103 170 L CA 0.679 55.526 54.840 0.012 0.000 0.769 170 L CB -0.297 41.744 42.059 -0.030 0.000 0.908 170 L HN 0.123 nan 8.230 nan 0.000 0.438 171 K N 1.462 121.807 120.400 -0.092 0.000 2.449 171 K HA 0.045 4.378 4.320 0.022 0.000 0.237 171 K C 1.241 177.795 176.600 -0.076 0.000 1.265 171 K CA 0.058 56.281 56.287 -0.106 0.000 1.193 171 K CB 0.098 32.498 32.500 -0.166 0.000 1.515 171 K HN 0.133 nan 8.250 nan 0.000 0.259 172 V N -0.748 119.137 119.914 -0.048 0.000 2.913 172 V HA -0.112 4.021 4.120 0.022 0.000 0.260 172 V C 1.076 177.154 176.094 -0.027 0.000 1.098 172 V CA 0.887 63.148 62.300 -0.064 0.000 1.121 172 V CB -0.671 31.050 31.823 -0.169 0.000 0.714 172 V HN 0.473 nan 8.190 nan 0.000 0.487 173 E N 2.516 122.703 120.200 -0.023 0.000 2.148 173 E HA 0.241 4.604 4.350 0.022 0.000 0.308 173 E C 0.455 177.056 176.600 0.000 0.000 1.278 173 E CA 0.262 56.658 56.400 -0.006 0.000 1.368 173 E CB -0.059 29.639 29.700 -0.003 0.000 1.229 173 E HN 0.524 nan 8.360 nan 0.000 0.494 174 G N 3.100 111.943 108.800 0.072 0.000 2.356 174 G HA2 0.406 4.379 3.960 0.022 0.000 0.300 174 G HA3 0.406 4.379 3.960 0.022 0.000 0.300 174 G C -0.004 175.021 174.900 0.207 0.000 1.107 174 G CA -0.738 44.432 45.100 0.117 0.000 0.960 174 G HN 0.445 nan 8.290 nan 0.000 0.418 175 L N 2.609 123.956 121.223 0.206 0.000 2.375 175 L HA 0.711 5.063 4.340 0.022 0.000 0.271 175 L C -1.744 175.291 176.870 0.274 0.000 1.107 175 L CA -2.302 52.737 54.840 0.333 0.000 0.806 175 L CB 0.158 42.362 42.059 0.242 0.000 1.146 175 L HN 0.240 nan 8.230 nan 0.000 0.447 176 P HA 0.238 nan 4.420 nan 0.000 0.274 176 P C -0.476 176.887 177.300 0.105 0.000 1.237 176 P CA -0.498 62.682 63.100 0.133 0.000 0.793 176 P CB 1.284 32.983 31.700 -0.002 0.000 0.977 177 K N 0.828 121.263 120.400 0.058 0.000 2.103 177 K HA -0.004 4.329 4.320 0.022 0.000 0.204 177 K C 0.689 177.306 176.600 0.028 0.000 1.052 177 K CA 1.030 57.345 56.287 0.047 0.000 0.945 177 K CB 0.055 32.574 32.500 0.031 0.000 0.722 177 K HN 0.433 nan 8.250 nan 0.000 0.443 178 R N 0.687 121.184 120.500 -0.005 0.000 2.532 178 R HA 0.380 4.733 4.340 0.022 0.000 0.297 178 R C -1.531 174.715 176.300 -0.091 0.000 0.984 178 R CA -0.686 55.394 56.100 -0.034 0.000 0.884 178 R CB 1.839 32.113 30.300 -0.043 0.000 1.182 178 R HN -0.089 nan 8.270 nan 0.000 0.442 179 L N 3.402 124.564 121.223 -0.101 0.000 2.386 179 L HA 0.562 4.915 4.340 0.022 0.000 0.271 179 L C -1.766 175.001 176.870 -0.171 0.000 0.993 179 L CA -0.924 53.800 54.840 -0.193 0.000 0.819 179 L CB 1.911 43.834 42.059 -0.226 0.000 1.294 179 L HN 0.597 nan 8.230 nan 0.000 0.414 180 L N 5.889 126.981 121.223 -0.219 0.000 2.305 180 L HA 0.708 5.061 4.340 0.022 0.000 0.284 180 L C -1.253 175.487 176.870 -0.216 0.000 1.013 180 L CA -0.238 54.488 54.840 -0.190 0.000 0.819 180 L CB 1.684 43.626 42.059 -0.196 0.000 1.227 180 L HN 0.443 nan 8.230 nan 0.000 0.417 181 V N 6.702 126.518 119.914 -0.163 0.000 2.435 181 V HA 0.455 4.588 4.120 0.022 0.000 0.290 181 V C 0.134 176.142 176.094 -0.144 0.000 1.030 181 V CA -0.403 61.810 62.300 -0.144 0.000 0.881 181 V CB 1.540 33.312 31.823 -0.086 0.000 0.983 181 V HN 0.603 nan 8.190 nan 0.000 0.445 182 I N 4.338 124.809 120.570 -0.165 0.000 2.328 182 I HA 0.755 4.938 4.170 0.022 0.000 0.287 182 I C 0.547 176.611 176.117 -0.089 0.000 1.012 182 I CA -0.142 61.059 61.300 -0.165 0.000 1.195 182 I CB 1.432 39.257 38.000 -0.290 0.000 1.350 182 I HN 0.865 nan 8.210 nan 0.000 0.464 183 G N 3.430 112.198 108.800 -0.055 0.000 3.239 183 G HA2 0.067 4.039 3.960 0.022 0.000 0.666 183 G HA3 0.067 4.039 3.960 0.022 0.000 0.666 183 G C -0.060 174.826 174.900 -0.023 0.000 1.313 183 G CA -0.527 44.557 45.100 -0.025 0.000 1.001 183 G HN 0.913 nan 8.290 nan 0.000 0.573 184 G N 0.484 109.271 108.800 -0.022 0.000 3.702 184 G HA2 0.636 4.609 3.960 0.022 0.000 0.288 184 G HA3 0.636 4.609 3.960 0.022 0.000 0.288 184 G C 0.867 175.736 174.900 -0.052 0.000 1.193 184 G CA 0.918 45.996 45.100 -0.036 0.000 0.952 184 G HN 1.216 nan 8.290 nan 0.000 0.544 185 G N -1.040 107.741 108.800 -0.031 0.000 2.537 185 G HA2 0.476 4.449 3.960 0.022 0.000 0.297 185 G HA3 0.476 4.449 3.960 0.022 0.000 0.297 185 G C 1.298 176.190 174.900 -0.012 0.000 1.310 185 G CA 0.233 45.314 45.100 -0.032 0.000 1.027 185 G HN 0.304 nan 8.290 nan 0.000 0.505 186 A N -1.192 121.636 122.820 0.012 0.000 1.908 186 A HA -0.031 4.302 4.320 0.022 0.000 0.218 186 A C 2.521 180.151 177.584 0.077 0.000 1.181 186 A CA 2.120 54.195 52.037 0.063 0.000 0.627 186 A CB -0.713 18.358 19.000 0.119 0.000 0.818 186 A HN 0.511 nan 8.150 nan 0.000 0.445 187 V N -0.214 119.738 119.914 0.064 0.000 2.295 187 V HA -0.178 3.955 4.120 0.022 0.000 0.246 187 V C 2.821 178.951 176.094 0.060 0.000 1.049 187 V CA 2.032 64.371 62.300 0.064 0.000 1.024 187 V CB -1.454 30.402 31.823 0.055 0.000 0.648 187 V HN 0.613 nan 8.190 nan 0.000 0.447 188 G N -0.274 108.549 108.800 0.039 0.000 2.418 188 G HA2 -0.184 3.789 3.960 0.022 0.000 0.217 188 G HA3 -0.184 3.789 3.960 0.022 0.000 0.217 188 G C 1.589 176.509 174.900 0.034 0.000 1.158 188 G CA 0.932 46.048 45.100 0.026 0.000 0.771 188 G HN 0.458 nan 8.290 nan 0.000 0.545 189 L N 0.078 121.320 121.223 0.031 0.000 2.017 189 L HA -0.052 4.301 4.340 0.022 0.000 0.208 189 L C 2.901 179.814 176.870 0.071 0.000 1.073 189 L CA 1.392 56.254 54.840 0.037 0.000 0.745 189 L CB -0.492 41.580 42.059 0.022 0.000 0.894 189 L HN 0.265 nan 8.230 nan 0.000 0.432 190 E N 0.251 120.507 120.200 0.093 0.000 2.031 190 E HA -0.211 4.152 4.350 0.022 0.000 0.193 190 E C 2.341 179.017 176.600 0.127 0.000 0.994 190 E CA 1.161 57.632 56.400 0.118 0.000 0.800 190 E CB -0.187 29.593 29.700 0.133 0.000 0.752 190 E HN 0.422 nan 8.360 nan 0.000 0.447 191 L N 0.386 121.690 121.223 0.135 0.000 2.201 191 L HA -0.079 4.274 4.340 0.022 0.000 0.212 191 L C 2.507 179.523 176.870 0.245 0.000 1.105 191 L CA 0.904 55.868 54.840 0.208 0.000 0.775 191 L CB -0.546 41.623 42.059 0.185 0.000 0.913 191 L HN 0.243 nan 8.230 nan 0.000 0.440 192 G N -0.751 108.132 108.800 0.139 0.000 2.421 192 G HA2 -0.317 3.656 3.960 0.022 0.000 0.216 192 G HA3 -0.317 3.656 3.960 0.022 0.000 0.216 192 G C 1.497 176.479 174.900 0.136 0.000 1.171 192 G CA 0.610 45.779 45.100 0.113 0.000 0.775 192 G HN 0.362 nan 8.290 nan 0.000 0.543 193 Q N -0.193 119.670 119.800 0.104 0.000 2.119 193 Q HA -0.047 4.306 4.340 0.022 0.000 0.201 193 Q C 2.668 178.717 176.000 0.082 0.000 0.972 193 Q CA 1.166 57.013 55.803 0.073 0.000 0.847 193 Q CB -0.103 28.662 28.738 0.045 0.000 0.903 193 Q HN 0.310 nan 8.270 nan 0.000 0.433 194 V N 0.163 120.145 119.914 0.113 0.000 2.255 194 V HA -0.289 3.844 4.120 0.022 0.000 0.247 194 V C 1.796 177.899 176.094 0.014 0.000 1.051 194 V CA 2.009 64.346 62.300 0.061 0.000 1.018 194 V CB -0.749 31.112 31.823 0.064 0.000 0.641 194 V HN 0.456 nan 8.190 nan 0.000 0.445 195 Y N 0.062 120.401 120.300 0.064 0.000 2.224 195 Y HA -0.245 4.318 4.550 0.021 0.000 0.289 195 Y C 2.716 178.647 175.900 0.051 0.000 1.146 195 Y CA 2.093 60.234 58.100 0.069 0.000 1.182 195 Y CB -0.248 38.261 38.460 0.081 0.000 0.983 195 Y HN 0.124 nan 8.280 nan 0.000 0.524 196 R N 1.040 121.639 120.500 0.165 0.000 2.075 196 R HA -0.072 4.281 4.340 0.022 0.000 0.232 196 R C 1.886 178.227 176.300 0.068 0.000 1.126 196 R CA 1.540 57.699 56.100 0.100 0.000 0.963 196 R CB -0.356 29.986 30.300 0.071 0.000 0.858 196 R HN 0.203 nan 8.270 nan 0.000 0.435 197 R N -0.512 120.018 120.500 0.050 0.000 2.280 197 R HA 0.022 4.375 4.340 0.022 0.000 0.207 197 R C 0.748 177.067 176.300 0.032 0.000 1.043 197 R CA 0.492 56.621 56.100 0.049 0.000 1.006 197 R CB -0.025 30.295 30.300 0.033 0.000 0.885 197 R HN 0.119 nan 8.270 nan 0.000 0.467 198 L N -0.697 120.528 121.223 0.004 0.000 2.628 198 L HA 0.259 4.612 4.340 0.022 0.000 0.229 198 L C 1.132 178.007 176.870 0.008 0.000 1.137 198 L CA 0.780 55.605 54.840 -0.025 0.000 0.909 198 L CB 0.623 42.609 42.059 -0.122 0.000 1.137 198 L HN 0.388 nan 8.230 nan 0.000 0.470 199 G N -1.533 107.289 108.800 0.037 0.000 2.179 199 G HA2 -0.162 3.811 3.960 0.022 0.000 0.220 199 G HA3 -0.162 3.811 3.960 0.022 0.000 0.220 199 G C 0.485 175.425 174.900 0.068 0.000 0.990 199 G CA -0.030 45.098 45.100 0.047 0.000 0.646 199 G HN 0.614 nan 8.290 nan 0.000 0.517 200 A N 0.112 122.993 122.820 0.101 0.000 2.302 200 A HA 0.700 5.033 4.320 0.022 0.000 0.285 200 A C 0.241 177.875 177.584 0.084 0.000 1.105 200 A CA -0.292 51.816 52.037 0.119 0.000 0.816 200 A CB 0.598 19.730 19.000 0.221 0.000 1.067 200 A HN 0.182 nan 8.150 nan 0.000 0.489 201 E N 0.670 120.902 120.200 0.054 0.000 2.259 201 E HA 0.432 4.795 4.350 0.022 0.000 0.281 201 E C -0.909 175.703 176.600 0.020 0.000 1.027 201 E CA -0.083 56.334 56.400 0.030 0.000 0.838 201 E CB 1.418 31.124 29.700 0.011 0.000 1.066 201 E HN 0.292 nan 8.360 nan 0.000 0.401 202 V N 2.861 122.786 119.914 0.018 0.000 2.588 202 V HA 0.407 4.539 4.120 0.022 0.000 0.304 202 V C -0.046 176.038 176.094 -0.017 0.000 1.042 202 V CA -0.694 61.606 62.300 0.001 0.000 0.877 202 V CB 2.257 34.099 31.823 0.031 0.000 0.996 202 V HN 0.582 nan 8.190 nan 0.000 0.425 203 T N 5.823 120.352 114.554 -0.042 0.000 2.812 203 T HA 0.623 4.986 4.350 0.022 0.000 0.282 203 T C -0.794 173.870 174.700 -0.060 0.000 0.990 203 T CA -0.247 61.825 62.100 -0.047 0.000 0.960 203 T CB 1.341 70.176 68.868 -0.055 0.000 0.948 203 T HN 0.543 nan 8.240 nan 0.000 0.438 204 L N 5.714 126.908 121.223 -0.048 0.000 2.341 204 L HA 0.753 5.106 4.340 0.022 0.000 0.278 204 L C -0.872 175.967 176.870 -0.052 0.000 1.005 204 L CA -1.074 53.734 54.840 -0.054 0.000 0.818 204 L CB 0.894 42.931 42.059 -0.036 0.000 1.259 204 L HN 0.704 nan 8.230 nan 0.000 0.418 205 I N 1.094 121.626 120.570 -0.063 0.000 2.493 205 I HA 0.731 4.914 4.170 0.022 0.000 0.298 205 I C -1.030 175.068 176.117 -0.032 0.000 0.998 205 I CA -0.520 60.750 61.300 -0.051 0.000 1.137 205 I CB 1.937 39.900 38.000 -0.061 0.000 1.310 205 I HN 0.572 nan 8.210 nan 0.000 0.445 206 E N 3.982 124.173 120.200 -0.015 0.000 2.260 206 E HA 0.206 4.569 4.350 0.022 0.000 0.266 206 E C -0.543 176.089 176.600 0.053 0.000 0.887 206 E CA -0.712 55.698 56.400 0.017 0.000 0.777 206 E CB 1.193 30.892 29.700 -0.002 0.000 1.205 206 E HN 0.609 nan 8.360 nan 0.000 0.414 207 Y N 5.129 125.410 120.300 -0.032 0.000 2.128 207 Y HA -0.058 4.506 4.550 0.023 0.000 0.284 207 Y C 0.651 176.538 175.900 -0.020 0.000 1.154 207 Y CA 1.491 59.578 58.100 -0.021 0.000 1.149 207 Y CB 0.192 38.644 38.460 -0.013 0.000 0.976 207 Y HN 0.476 nan 8.280 nan 0.000 0.505 208 M N 0.562 120.331 119.600 0.283 0.000 2.167 208 M HA 0.051 4.544 4.480 0.022 0.000 0.300 208 M C -1.229 175.098 176.300 0.045 0.000 1.171 208 M CA -2.102 53.303 55.300 0.175 0.000 1.171 208 M CB -0.748 31.915 32.600 0.105 0.000 1.396 208 M HN -0.068 nan 8.290 nan 0.000 0.466 209 P HA -0.077 nan 4.420 nan 0.000 0.222 209 P C -0.223 177.066 177.300 -0.018 0.000 1.147 209 P CA 1.348 64.442 63.100 -0.009 0.000 0.790 209 P CB 0.349 32.046 31.700 -0.004 0.000 0.780 210 E N -1.228 118.960 120.200 -0.020 0.000 2.413 210 E HA 0.345 4.708 4.350 0.022 0.000 0.277 210 E C -0.568 175.998 176.600 -0.056 0.000 0.958 210 E CA -1.112 55.264 56.400 -0.039 0.000 0.779 210 E CB 0.908 30.580 29.700 -0.046 0.000 1.278 210 E HN -0.096 nan 8.360 nan 0.000 0.456 211 I N 0.240 120.764 120.570 -0.077 0.000 3.060 211 I HA 0.269 4.452 4.170 0.022 0.000 0.285 211 I C 0.296 176.308 176.117 -0.176 0.000 1.190 211 I CA -0.655 60.582 61.300 -0.105 0.000 1.363 211 I CB 0.198 38.134 38.000 -0.107 0.000 1.396 211 I HN 0.685 nan 8.210 nan 0.000 0.607 212 L N 2.077 123.177 121.223 -0.206 0.000 3.713 212 L HA -0.152 4.201 4.340 0.022 0.000 0.499 212 L C -1.362 175.374 176.870 -0.223 0.000 1.281 212 L CA -0.336 54.321 54.840 -0.305 0.000 0.796 212 L CB -1.522 40.154 42.059 -0.637 0.000 1.535 212 L HN 0.707 nan 8.230 nan 0.000 0.851 213 P HA -0.203 nan 4.420 nan 0.000 0.223 213 P C 1.123 178.390 177.300 -0.054 0.000 1.144 213 P CA 1.238 64.296 63.100 -0.070 0.000 0.783 213 P CB 0.214 31.896 31.700 -0.031 0.000 0.771 214 Q N -0.440 119.326 119.800 -0.057 0.000 2.424 214 Q HA 0.168 4.521 4.340 0.022 0.000 0.204 214 Q C 1.409 177.434 176.000 0.042 0.000 0.933 214 Q CA 0.536 56.339 55.803 -0.000 0.000 0.929 214 Q CB -0.033 28.716 28.738 0.020 0.000 1.037 214 Q HN 0.244 nan 8.270 nan 0.000 0.511 215 G N 0.410 109.190 108.800 -0.033 0.000 2.705 215 G HA2 0.244 4.217 3.960 0.022 0.000 0.299 215 G HA3 0.244 4.217 3.960 0.022 0.000 0.299 215 G C -1.185 173.683 174.900 -0.054 0.000 1.315 215 G CA -0.614 44.548 45.100 0.104 0.000 1.045 215 G HN 0.035 nan 8.290 nan 0.000 0.517 216 D N 0.163 120.439 120.400 -0.207 0.000 2.472 216 D HA 0.083 4.736 4.640 0.022 0.000 0.248 216 D C -0.698 175.541 176.300 -0.103 0.000 1.174 216 D CA -1.086 52.655 54.000 -0.432 0.000 0.883 216 D CB 1.356 41.604 40.800 -0.921 0.000 1.149 216 D HN 0.016 nan 8.370 nan 0.000 0.488 217 P HA -0.144 nan 4.420 nan 0.000 0.221 217 P C 1.056 178.352 177.300 -0.007 0.000 1.150 217 P CA 0.869 63.939 63.100 -0.051 0.000 0.800 217 P CB 0.287 31.958 31.700 -0.049 0.000 0.787 218 E N 0.460 120.660 120.200 -0.000 0.000 2.028 218 E HA -0.135 4.228 4.350 0.022 0.000 0.191 218 E C 1.940 178.594 176.600 0.090 0.000 0.988 218 E CA 2.280 58.699 56.400 0.032 0.000 0.799 218 E CB -0.314 29.401 29.700 0.024 0.000 0.755 218 E HN 0.249 nan 8.360 nan 0.000 0.447 219 T N -1.257 113.396 114.554 0.165 0.000 2.904 219 T HA 0.054 4.417 4.350 0.022 0.000 0.267 219 T C 1.978 176.899 174.700 0.369 0.000 1.059 219 T CA 0.890 63.159 62.100 0.283 0.000 1.137 219 T CB -0.231 68.852 68.868 0.357 0.000 0.879 219 T HN 0.216 nan 8.240 nan 0.000 0.467 220 A N 1.975 124.963 122.820 0.279 0.000 1.902 220 A HA 0.343 4.676 4.320 0.022 0.000 0.217 220 A C 2.815 180.406 177.584 0.012 0.000 1.181 220 A CA 1.735 53.773 52.037 0.001 0.000 0.623 220 A CB -1.379 17.507 19.000 -0.190 0.000 0.818 220 A HN 0.698 nan 8.150 nan 0.000 0.443 221 A N -0.224 122.613 122.820 0.028 0.000 1.902 221 A HA -0.062 4.271 4.320 0.022 0.000 0.217 221 A C 2.154 179.760 177.584 0.037 0.000 1.181 221 A CA 1.492 53.539 52.037 0.017 0.000 0.623 221 A CB -0.606 18.402 19.000 0.013 0.000 0.818 221 A HN 0.476 nan 8.150 nan 0.000 0.443 222 L N -1.043 120.221 121.223 0.068 0.000 2.083 222 L HA -0.173 4.180 4.340 0.022 0.000 0.209 222 L C 2.554 179.470 176.870 0.077 0.000 1.083 222 L CA 1.155 56.038 54.840 0.071 0.000 0.752 222 L CB -0.463 41.647 42.059 0.085 0.000 0.899 222 L HN 0.509 nan 8.230 nan 0.000 0.433 223 L N 0.174 121.460 121.223 0.105 0.000 2.056 223 L HA -0.187 4.166 4.340 0.022 0.000 0.207 223 L C 2.694 179.591 176.870 0.045 0.000 1.078 223 L CA 1.636 56.533 54.840 0.096 0.000 0.749 223 L CB -0.645 41.490 42.059 0.127 0.000 0.901 223 L HN 0.123 nan 8.230 nan 0.000 0.433 224 R N -0.515 119.998 120.500 0.021 0.000 2.083 224 R HA -0.171 4.182 4.340 0.022 0.000 0.237 224 R C 2.445 178.753 176.300 0.012 0.000 1.137 224 R CA 1.756 57.858 56.100 0.004 0.000 0.951 224 R CB -0.263 30.031 30.300 -0.011 0.000 0.851 224 R HN 0.346 nan 8.270 nan 0.000 0.434 225 R N -0.174 120.337 120.500 0.019 0.000 2.120 225 R HA -0.098 4.255 4.340 0.022 0.000 0.234 225 R C 2.313 178.628 176.300 0.024 0.000 1.123 225 R CA 1.301 57.412 56.100 0.019 0.000 0.975 225 R CB -0.292 30.020 30.300 0.020 0.000 0.866 225 R HN 0.331 nan 8.270 nan 0.000 0.446 226 A N 1.140 123.980 122.820 0.032 0.000 1.898 226 A HA -0.103 4.230 4.320 0.022 0.000 0.216 226 A C 2.153 179.752 177.584 0.024 0.000 1.181 226 A CA 1.019 53.077 52.037 0.034 0.000 0.620 226 A CB -0.439 18.587 19.000 0.044 0.000 0.819 226 A HN 0.166 nan 8.150 nan 0.000 0.442 227 L N -0.578 120.656 121.223 0.019 0.000 2.093 227 L HA -0.186 4.167 4.340 0.022 0.000 0.208 227 L C 2.504 179.381 176.870 0.012 0.000 1.085 227 L CA 1.462 56.309 54.840 0.011 0.000 0.755 227 L CB -0.623 41.443 42.059 0.011 0.000 0.904 227 L HN 0.473 nan 8.230 nan 0.000 0.435 228 E N 0.241 120.448 120.200 0.012 0.000 2.150 228 E HA -0.257 4.106 4.350 0.022 0.000 0.193 228 E C 2.075 178.685 176.600 0.016 0.000 0.985 228 E CA 0.872 57.278 56.400 0.011 0.000 0.814 228 E CB -0.047 29.657 29.700 0.007 0.000 0.752 228 E HN 0.371 nan 8.360 nan 0.000 0.466 229 K N 1.502 121.916 120.400 0.022 0.000 2.147 229 K HA -0.165 4.168 4.320 0.022 0.000 0.205 229 K C 1.393 178.016 176.600 0.040 0.000 1.049 229 K CA 1.141 57.446 56.287 0.030 0.000 0.936 229 K CB 0.123 32.645 32.500 0.038 0.000 0.722 229 K HN 0.064 nan 8.250 nan 0.000 0.446 230 E N -0.808 119.414 120.200 0.038 0.000 2.502 230 E HA 0.011 4.374 4.350 0.022 0.000 0.194 230 E C 0.554 177.178 176.600 0.040 0.000 1.062 230 E CA 0.411 56.841 56.400 0.050 0.000 0.867 230 E CB 0.332 30.044 29.700 0.020 0.000 0.888 230 E HN 0.636 nan 8.360 nan 0.000 0.510 231 G N 1.560 110.377 108.800 0.028 0.000 2.159 231 G HA2 -0.260 3.713 3.960 0.022 0.000 0.227 231 G HA3 -0.260 3.713 3.960 0.022 0.000 0.227 231 G C 0.226 175.136 174.900 0.016 0.000 0.986 231 G CA -0.366 44.748 45.100 0.022 0.000 0.651 231 G HN 0.215 nan 8.290 nan 0.000 0.523 232 I N 2.370 122.949 120.570 0.015 0.000 2.396 232 I HA 0.281 4.464 4.170 0.022 0.000 0.289 232 I C 0.502 176.619 176.117 0.000 0.000 1.056 232 I CA -0.753 60.553 61.300 0.010 0.000 1.365 232 I CB 0.645 38.652 38.000 0.011 0.000 1.407 232 I HN -0.034 nan 8.210 nan 0.000 0.509 233 R N 6.724 127.220 120.500 -0.007 0.000 2.220 233 R HA 0.333 4.686 4.340 0.022 0.000 0.340 233 R C -0.813 175.476 176.300 -0.019 0.000 1.076 233 R CA -0.548 55.544 56.100 -0.013 0.000 0.920 233 R CB 0.041 30.331 30.300 -0.018 0.000 1.062 233 R HN 0.280 nan 8.270 nan 0.000 0.469 234 V N 5.282 125.185 119.914 -0.017 0.000 2.370 234 V HA 0.333 4.466 4.120 0.022 0.000 0.279 234 V C 0.484 176.562 176.094 -0.026 0.000 1.029 234 V CA -0.760 61.527 62.300 -0.022 0.000 0.870 234 V CB 1.249 33.060 31.823 -0.019 0.000 0.984 234 V HN 0.449 nan 8.190 nan 0.000 0.451 235 R N 3.264 123.745 120.500 -0.032 0.000 2.272 235 R HA 0.397 4.750 4.340 0.022 0.000 0.323 235 R C 0.261 176.539 176.300 -0.038 0.000 1.002 235 R CA -0.339 55.740 56.100 -0.035 0.000 0.900 235 R CB 1.267 31.544 30.300 -0.038 0.000 1.151 235 R HN 0.870 nan 8.270 nan 0.000 0.507 236 T N -0.912 113.619 114.554 -0.038 0.000 2.847 236 T HA 0.211 4.574 4.350 0.022 0.000 0.279 236 T C 0.651 175.315 174.700 -0.061 0.000 0.984 236 T CA -0.674 61.402 62.100 -0.040 0.000 0.988 236 T CB 1.022 69.870 68.868 -0.034 0.000 1.040 236 T HN 0.387 nan 8.240 nan 0.000 0.528 237 K N 0.561 120.916 120.400 -0.075 0.000 3.071 237 K HA -0.137 4.196 4.320 0.022 0.000 0.262 237 K C -0.535 175.956 176.600 -0.183 0.000 0.977 237 K CA 0.718 56.920 56.287 -0.142 0.000 0.721 237 K CB -2.034 30.402 32.500 -0.107 0.000 1.293 237 K HN 0.954 nan 8.250 nan 0.000 0.475 238 T N 0.502 114.962 114.554 -0.156 0.000 2.912 238 T HA 0.494 4.857 4.350 0.022 0.000 0.299 238 T C -0.417 174.229 174.700 -0.089 0.000 1.052 238 T CA -0.965 61.059 62.100 -0.127 0.000 0.996 238 T CB 2.236 71.062 68.868 -0.070 0.000 1.070 238 T HN 0.277 nan 8.240 nan 0.000 0.465 239 K N 0.362 120.727 120.400 -0.059 0.000 2.385 239 K HA 0.882 5.214 4.320 0.022 0.000 0.248 239 K C -1.107 175.533 176.600 0.066 0.000 0.955 239 K CA -1.163 55.153 56.287 0.048 0.000 0.816 239 K CB 2.155 34.736 32.500 0.135 0.000 1.250 239 K HN 0.575 nan 8.250 nan 0.000 0.434 240 A N 2.331 125.207 122.820 0.095 0.000 2.276 240 A HA 0.400 4.733 4.320 0.022 0.000 0.300 240 A C 0.568 178.361 177.584 0.347 0.000 1.235 240 A CA -0.842 51.300 52.037 0.175 0.000 0.867 240 A CB 0.711 19.692 19.000 -0.032 0.000 1.137 240 A HN 0.574 nan 8.150 nan 0.000 0.527 241 V N 2.555 122.643 119.914 0.291 0.000 2.492 241 V HA 0.409 4.542 4.120 0.022 0.000 0.241 241 V C 1.389 177.533 176.094 0.082 0.000 1.041 241 V CA 1.450 63.861 62.300 0.183 0.000 1.057 241 V CB -0.815 31.063 31.823 0.091 0.000 0.711 241 V HN 1.257 nan 8.190 nan 0.000 0.468 242 G N -1.142 107.674 108.800 0.027 0.000 2.340 242 G HA2 0.513 4.486 3.960 0.022 0.000 0.299 242 G HA3 0.513 4.486 3.960 0.022 0.000 0.299 242 G C -1.865 172.994 174.900 -0.069 0.000 1.291 242 G CA 0.023 44.894 45.100 -0.382 0.000 0.841 242 G HN 0.405 nan 8.290 nan 0.000 0.500 243 Y N -1.360 118.740 120.300 -0.333 0.000 2.764 243 Y HA 0.824 5.387 4.550 0.021 0.000 0.331 243 Y C -1.318 174.522 175.900 -0.099 0.000 1.280 243 Y CA -1.067 56.975 58.100 -0.097 0.000 1.065 243 Y CB 1.121 39.603 38.460 0.036 0.000 1.319 243 Y HN 0.963 nan 8.280 nan 0.000 0.453 244 E N 1.112 121.148 120.200 -0.273 0.000 2.311 244 E HA 0.313 4.676 4.350 0.022 0.000 0.281 244 E C -1.811 174.730 176.600 -0.097 0.000 0.905 244 E CA -1.191 54.991 56.400 -0.364 0.000 0.778 244 E CB 2.424 31.986 29.700 -0.230 0.000 1.240 244 E HN 0.697 nan 8.360 nan 0.000 0.410 245 K N 2.840 123.188 120.400 -0.087 0.000 2.401 245 K HA 0.117 4.450 4.320 0.022 0.000 0.278 245 K C -0.552 176.032 176.600 -0.027 0.000 1.018 245 K CA 0.007 56.329 56.287 0.058 0.000 0.981 245 K CB 0.557 33.102 32.500 0.074 0.000 0.933 245 K HN 0.410 nan 8.250 nan 0.000 0.477 246 K N 2.503 122.903 120.400 -0.001 0.000 2.263 246 K HA 0.143 4.476 4.320 0.022 0.000 0.249 246 K C 0.395 177.004 176.600 0.015 0.000 1.076 246 K CA -0.694 55.558 56.287 -0.058 0.000 0.884 246 K CB 0.943 33.325 32.500 -0.198 0.000 1.394 246 K HN 0.471 nan 8.250 nan 0.000 0.476 247 K N 1.081 121.488 120.400 0.012 0.000 2.116 247 K HA -0.090 4.243 4.320 0.022 0.000 0.203 247 K C 0.666 177.301 176.600 0.058 0.000 1.052 247 K CA 1.837 58.143 56.287 0.032 0.000 0.952 247 K CB 0.116 32.629 32.500 0.021 0.000 0.729 247 K HN 0.566 nan 8.250 nan 0.000 0.446 248 D N -0.507 119.948 120.400 0.091 0.000 2.325 248 D HA 0.118 4.771 4.640 0.022 0.000 0.225 248 D C 0.626 176.999 176.300 0.121 0.000 1.096 248 D CA 0.528 54.591 54.000 0.105 0.000 0.844 248 D CB 0.497 41.370 40.800 0.123 0.000 0.925 248 D HN 0.369 nan 8.370 nan 0.000 0.513 249 G N 0.075 108.955 108.800 0.133 0.000 2.343 249 G HA2 -0.017 3.956 3.960 0.022 0.000 0.562 249 G HA3 -0.017 3.956 3.960 0.022 0.000 0.562 249 G C -1.347 173.689 174.900 0.226 0.000 1.269 249 G CA -0.761 44.417 45.100 0.130 0.000 1.011 249 G HN 0.181 nan 8.290 nan 0.000 0.498 250 L N 1.193 122.526 121.223 0.184 0.000 2.265 250 L HA 0.397 4.750 4.340 0.022 0.000 0.288 250 L C 0.272 177.331 176.870 0.314 0.000 1.058 250 L CA -0.608 54.394 54.840 0.269 0.000 0.809 250 L CB 0.923 43.060 42.059 0.130 0.000 1.179 250 L HN 0.526 nan 8.230 nan 0.000 0.429 251 H N 3.469 122.625 119.070 0.144 0.000 2.787 251 H HA 0.226 4.795 4.556 0.021 0.000 0.275 251 H C -0.511 174.910 175.328 0.156 0.000 1.183 251 H CA -0.761 55.349 56.048 0.103 0.000 1.290 251 H CB 1.148 30.947 29.762 0.061 0.000 1.438 251 H HN 0.312 nan 8.280 nan 0.000 0.487 252 V N 4.532 124.578 119.914 0.220 0.000 2.488 252 V HA 0.060 4.193 4.120 0.022 0.000 0.277 252 V C 0.781 176.980 176.094 0.176 0.000 1.046 252 V CA -0.363 62.085 62.300 0.247 0.000 0.986 252 V CB 1.137 33.065 31.823 0.176 0.000 0.989 252 V HN 0.668 nan 8.190 nan 0.000 0.475 253 R N 5.353 125.968 120.500 0.192 0.000 2.210 253 R HA 0.442 4.795 4.340 0.022 0.000 0.338 253 R C -0.758 175.614 176.300 0.120 0.000 1.062 253 R CA -0.353 55.820 56.100 0.122 0.000 0.902 253 R CB 0.211 30.565 30.300 0.089 0.000 1.050 253 R HN 0.686 nan 8.270 nan 0.000 0.461 254 L N 2.913 124.179 121.223 0.073 0.000 2.431 254 L HA 0.534 4.887 4.340 0.022 0.000 0.260 254 L C 0.496 177.384 176.870 0.030 0.000 1.098 254 L CA -0.259 54.610 54.840 0.049 0.000 0.800 254 L CB 1.387 43.456 42.059 0.017 0.000 1.210 254 L HN 0.801 nan 8.230 nan 0.000 0.465 255 E N -0.686 119.521 120.200 0.011 0.000 1.436 255 E HA -0.034 4.329 4.350 0.022 0.000 0.165 255 E C -0.165 176.408 176.600 -0.044 0.000 1.982 255 E CA -0.024 56.372 56.400 -0.007 0.000 1.184 255 E CB 0.227 29.933 29.700 0.012 0.000 1.515 255 E HN 0.599 nan 8.360 nan 0.000 0.712 256 E N 0.208 120.292 120.200 -0.193 0.000 2.864 256 E HA -0.337 4.026 4.350 0.022 0.000 0.310 256 E C 0.617 177.196 176.600 -0.036 0.000 1.326 256 E CA 2.220 58.579 56.400 -0.069 0.000 1.067 256 E CB -1.536 28.135 29.700 -0.048 0.000 0.904 256 E HN 1.147 nan 8.360 nan 0.000 0.323 257 G N -0.863 107.904 108.800 -0.055 0.000 2.603 257 G HA2 0.378 4.351 3.960 0.022 0.000 0.686 257 G HA3 0.378 4.351 3.960 0.022 0.000 0.686 257 G C 0.410 175.298 174.900 -0.021 0.000 1.286 257 G CA 0.894 45.980 45.100 -0.023 0.000 0.871 257 G HN 1.409 nan 8.290 nan 0.000 0.568 258 G N -0.756 108.038 108.800 -0.011 0.000 2.456 258 G HA2 0.343 4.316 3.960 0.022 0.000 0.204 258 G HA3 0.343 4.316 3.960 0.022 0.000 0.204 258 G C -0.010 174.884 174.900 -0.009 0.000 1.193 258 G CA 0.509 45.603 45.100 -0.010 0.000 1.220 258 G HN 1.708 nan 8.290 nan 0.000 0.565 259 E N 1.436 121.630 120.200 -0.011 0.000 2.892 259 E HA 0.273 4.636 4.350 0.022 0.000 0.273 259 E C 0.895 177.491 176.600 -0.006 0.000 0.921 259 E CA 1.248 57.643 56.400 -0.009 0.000 0.968 259 E CB 0.104 29.797 29.700 -0.012 0.000 0.941 259 E HN 1.077 nan 8.360 nan 0.000 0.492 260 G N 1.603 110.402 108.800 -0.000 0.000 2.488 260 G HA2 0.478 4.451 3.960 0.022 0.000 0.318 260 G HA3 0.478 4.451 3.960 0.022 0.000 0.318 260 G C -0.626 174.277 174.900 0.005 0.000 1.188 260 G CA -0.325 44.779 45.100 0.006 0.000 0.944 260 G HN 0.451 nan 8.290 nan 0.000 0.495 261 E N -0.457 119.750 120.200 0.012 0.000 2.597 261 E HA 0.194 4.557 4.350 0.022 0.000 0.310 261 E C -1.063 175.548 176.600 0.018 0.000 0.970 261 E CA -0.547 55.858 56.400 0.008 0.000 0.819 261 E CB 1.337 31.035 29.700 -0.002 0.000 1.267 261 E HN 0.700 nan 8.360 nan 0.000 0.411 262 E N 2.515 122.724 120.200 0.015 0.000 2.212 262 E HA 0.657 5.020 4.350 0.022 0.000 0.270 262 E C -1.300 175.289 176.600 -0.019 0.000 0.956 262 E CA -0.965 55.447 56.400 0.021 0.000 0.825 262 E CB 2.506 32.231 29.700 0.042 0.000 1.167 262 E HN 0.145 nan 8.360 nan 0.000 0.400 263 V N 2.887 122.786 119.914 -0.025 0.000 2.638 263 V HA 0.367 4.500 4.120 0.022 0.000 0.306 263 V C -1.258 174.778 176.094 -0.097 0.000 1.052 263 V CA -0.707 61.557 62.300 -0.061 0.000 0.885 263 V CB 2.004 33.802 31.823 -0.042 0.000 0.999 263 V HN 0.675 nan 8.190 nan 0.000 0.424 264 V N 7.472 127.290 119.914 -0.159 0.000 2.370 264 V HA 0.673 4.806 4.120 0.022 0.000 0.279 264 V C 0.065 176.097 176.094 -0.103 0.000 1.029 264 V CA -0.009 62.172 62.300 -0.197 0.000 0.870 264 V CB 1.258 32.885 31.823 -0.326 0.000 0.984 264 V HN 0.920 nan 8.190 nan 0.000 0.451 265 V N 1.165 121.037 119.914 -0.070 0.000 3.167 265 V HA 0.661 4.794 4.120 0.022 0.000 0.310 265 V C 0.099 176.151 176.094 -0.070 0.000 1.207 265 V CA -0.637 61.615 62.300 -0.081 0.000 1.059 265 V CB 2.446 34.197 31.823 -0.120 0.000 1.079 265 V HN 0.565 nan 8.190 nan 0.000 0.446 266 D N -0.206 120.134 120.400 -0.099 0.000 2.324 266 D HA 0.201 4.854 4.640 0.022 0.000 0.212 266 D C 0.147 176.329 176.300 -0.195 0.000 0.984 266 D CA 0.809 54.753 54.000 -0.093 0.000 0.885 266 D CB 0.520 41.286 40.800 -0.057 0.000 0.996 266 D HN 0.437 nan 8.370 nan 0.000 0.505 267 K N 0.477 120.675 120.400 -0.336 0.000 2.512 267 K HA 0.524 4.857 4.320 0.022 0.000 0.263 267 K C -0.943 175.309 176.600 -0.579 0.000 0.966 267 K CA -0.798 55.124 56.287 -0.608 0.000 0.851 267 K CB 3.191 35.020 32.500 -1.118 0.000 1.395 267 K HN -0.262 nan 8.250 nan 0.000 0.440 268 V N 2.075 121.615 119.914 -0.622 0.000 2.540 268 V HA 0.387 4.520 4.120 0.022 0.000 0.302 268 V C -0.941 174.924 176.094 -0.381 0.000 1.035 268 V CA -1.012 61.013 62.300 -0.460 0.000 0.873 268 V CB 1.876 33.452 31.823 -0.412 0.000 0.992 268 V HN 0.571 nan 8.190 nan 0.000 0.428 269 L N 6.571 127.630 121.223 -0.274 0.000 2.280 269 L HA 0.645 4.998 4.340 0.022 0.000 0.287 269 L C -0.473 176.358 176.870 -0.065 0.000 1.023 269 L CA 0.006 54.792 54.840 -0.089 0.000 0.819 269 L CB 1.598 43.605 42.059 -0.086 0.000 1.212 269 L HN 0.436 nan 8.230 nan 0.000 0.420 270 V N 5.754 125.712 119.914 0.074 0.000 2.318 270 V HA 0.669 4.802 4.120 0.022 0.000 0.271 270 V C 0.568 176.747 176.094 0.141 0.000 1.030 270 V CA 0.018 62.353 62.300 0.058 0.000 0.844 270 V CB 0.783 32.652 31.823 0.077 0.000 1.015 270 V HN 0.931 nan 8.190 nan 0.000 0.460 271 A N 4.502 127.353 122.820 0.052 0.000 3.258 271 A HA 0.542 4.875 4.320 0.022 0.000 0.318 271 A C 0.404 178.010 177.584 0.037 0.000 0.990 271 A CA -0.141 51.933 52.037 0.062 0.000 0.885 271 A CB 0.743 19.768 19.000 0.042 0.000 1.090 271 A HN 1.035 nan 8.150 nan 0.000 0.479 272 V N -2.080 117.862 119.914 0.046 0.000 3.444 272 V HA 0.664 4.797 4.120 0.022 0.000 0.308 272 V C 0.669 176.786 176.094 0.038 0.000 1.371 272 V CA 0.338 62.653 62.300 0.025 0.000 1.141 272 V CB -0.902 30.925 31.823 0.007 0.000 1.037 272 V HN 1.655 nan 8.190 nan 0.000 0.433 273 G N 0.270 109.105 108.800 0.058 0.000 2.334 273 G HA2 0.231 4.204 3.960 0.022 0.000 0.315 273 G HA3 0.231 4.204 3.960 0.022 0.000 0.315 273 G C -1.230 173.717 174.900 0.077 0.000 1.284 273 G CA -0.848 44.290 45.100 0.063 0.000 0.985 273 G HN 0.385 nan 8.290 nan 0.000 0.504 274 R N -0.379 120.167 120.500 0.078 0.000 2.867 274 R HA 0.737 5.090 4.340 0.022 0.000 0.268 274 R C -0.839 175.485 176.300 0.040 0.000 1.014 274 R CA -0.933 55.207 56.100 0.066 0.000 0.946 274 R CB 2.258 32.598 30.300 0.067 0.000 1.208 274 R HN 0.701 nan 8.270 nan 0.000 0.477 275 K N 2.373 122.771 120.400 -0.004 0.000 2.426 275 K HA 0.396 4.729 4.320 0.022 0.000 0.254 275 K C -2.484 174.030 176.600 -0.142 0.000 0.936 275 K CA -1.880 54.355 56.287 -0.088 0.000 0.801 275 K CB 2.166 34.638 32.500 -0.046 0.000 1.139 275 K HN 0.232 nan 8.250 nan 0.000 0.424 276 P HA 0.056 nan 4.420 nan 0.000 0.271 276 P C -1.028 176.180 177.300 -0.152 0.000 1.216 276 P CA -0.077 62.859 63.100 -0.272 0.000 0.771 276 P CB 0.514 31.871 31.700 -0.571 0.000 0.864 277 R N 1.916 122.374 120.500 -0.069 0.000 3.266 277 R HA 0.165 4.518 4.340 0.022 0.000 0.224 277 R C 0.954 177.247 176.300 -0.012 0.000 1.525 277 R CA 0.060 56.151 56.100 -0.015 0.000 1.364 277 R CB -0.626 29.689 30.300 0.025 0.000 1.276 277 R HN 0.556 nan 8.270 nan 0.000 0.660 278 T N -3.240 111.295 114.554 -0.032 0.000 3.043 278 T HA 0.144 4.507 4.350 0.022 0.000 0.272 278 T C 0.401 175.104 174.700 0.005 0.000 0.990 278 T CA -0.389 61.699 62.100 -0.020 0.000 0.897 278 T CB 0.452 69.290 68.868 -0.049 0.000 1.111 278 T HN 0.258 nan 8.240 nan 0.000 0.529 279 E N 1.025 121.236 120.200 0.018 0.000 2.266 279 E HA 0.504 4.867 4.350 0.022 0.000 0.277 279 E C 0.741 177.385 176.600 0.074 0.000 1.018 279 E CA -0.343 56.074 56.400 0.029 0.000 0.840 279 E CB 1.045 30.751 29.700 0.010 0.000 1.082 279 E HN 0.396 nan 8.360 nan 0.000 0.395 280 G N 2.299 111.141 108.800 0.069 0.000 2.198 280 G HA2 -0.259 3.714 3.960 0.022 0.000 0.260 280 G HA3 -0.259 3.714 3.960 0.022 0.000 0.260 280 G C 0.295 175.312 174.900 0.195 0.000 1.025 280 G CA 0.477 45.639 45.100 0.105 0.000 0.769 280 G HN 0.418 nan 8.290 nan 0.000 0.507 281 L N -0.384 120.915 121.223 0.126 0.000 2.766 281 L HA 0.559 4.912 4.340 0.022 0.000 0.242 281 L C 1.903 178.804 176.870 0.053 0.000 1.136 281 L CA 1.299 56.192 54.840 0.088 0.000 0.933 281 L CB -0.003 42.072 42.059 0.027 0.000 1.241 281 L HN 1.373 nan 8.230 nan 0.000 0.522 282 G N -0.216 108.618 108.800 0.058 0.000 2.143 282 G HA2 -0.315 3.658 3.960 0.022 0.000 0.248 282 G HA3 -0.315 3.658 3.960 0.022 0.000 0.248 282 G C 1.026 175.941 174.900 0.026 0.000 0.991 282 G CA 0.647 45.772 45.100 0.042 0.000 0.689 282 G HN 0.386 nan 8.290 nan 0.000 0.522 283 L N 0.577 121.812 121.223 0.020 0.000 2.131 283 L HA -0.079 4.274 4.340 0.022 0.000 0.210 283 L C 2.869 179.746 176.870 0.011 0.000 1.092 283 L CA 1.879 56.725 54.840 0.012 0.000 0.759 283 L CB -0.359 41.705 42.059 0.008 0.000 0.903 283 L HN 0.583 nan 8.230 nan 0.000 0.435 284 E N 0.795 121.003 120.200 0.014 0.000 2.478 284 E HA -0.186 4.177 4.350 0.022 0.000 0.198 284 E C 1.395 178.002 176.600 0.013 0.000 1.046 284 E CA 0.836 57.243 56.400 0.012 0.000 0.870 284 E CB -0.080 29.627 29.700 0.012 0.000 0.818 284 E HN 0.511 nan 8.360 nan 0.000 0.527 285 K N 0.148 120.557 120.400 0.016 0.000 2.352 285 K HA 0.254 4.587 4.320 0.022 0.000 0.194 285 K C 1.780 178.388 176.600 0.014 0.000 1.038 285 K CA 0.624 56.920 56.287 0.016 0.000 1.023 285 K CB 0.491 33.004 32.500 0.022 0.000 0.840 285 K HN 0.134 nan 8.250 nan 0.000 0.519 286 A N 0.471 123.298 122.820 0.011 0.000 2.169 286 A HA 0.276 4.609 4.320 0.022 0.000 0.210 286 A C 1.368 178.953 177.584 0.001 0.000 1.168 286 A CA 0.746 52.788 52.037 0.007 0.000 0.813 286 A CB 0.043 19.047 19.000 0.006 0.000 0.861 286 A HN 0.319 nan 8.150 nan 0.000 0.481 287 G N -1.122 107.678 108.800 0.001 0.000 2.132 287 G HA2 -0.173 3.800 3.960 0.022 0.000 0.234 287 G HA3 -0.173 3.800 3.960 0.022 0.000 0.234 287 G C 0.082 174.979 174.900 -0.006 0.000 0.989 287 G CA 0.064 45.163 45.100 -0.002 0.000 0.676 287 G HN 0.780 nan 8.290 nan 0.000 0.522 288 V N 1.663 121.574 119.914 -0.005 0.000 2.455 288 V HA 0.281 4.413 4.120 0.022 0.000 0.273 288 V C 0.954 177.048 176.094 -0.000 0.000 1.045 288 V CA -0.171 62.125 62.300 -0.007 0.000 0.976 288 V CB 1.245 33.064 31.823 -0.006 0.000 0.993 288 V HN 0.298 nan 8.190 nan 0.000 0.475 289 K N 3.764 124.164 120.400 0.000 0.000 2.249 289 K HA 0.548 4.881 4.320 0.022 0.000 0.280 289 K C -0.776 175.834 176.600 0.017 0.000 1.033 289 K CA -0.347 55.944 56.287 0.007 0.000 0.946 289 K CB 1.623 34.127 32.500 0.006 0.000 1.005 289 K HN 0.441 nan 8.250 nan 0.000 0.469 290 V N 2.938 122.865 119.914 0.020 0.000 2.680 290 V HA 0.074 4.207 4.120 0.022 0.000 0.309 290 V C -0.246 175.872 176.094 0.040 0.000 1.052 290 V CA -1.014 61.304 62.300 0.031 0.000 0.908 290 V CB 1.938 33.770 31.823 0.014 0.000 1.001 290 V HN 0.879 nan 8.190 nan 0.000 0.431 291 D N 1.901 122.342 120.400 0.070 0.000 2.433 291 D HA 0.154 4.807 4.640 0.022 0.000 0.255 291 D C 0.879 177.217 176.300 0.063 0.000 1.226 291 D CA -0.456 53.588 54.000 0.074 0.000 1.015 291 D CB 0.711 41.574 40.800 0.106 0.000 1.091 291 D HN 0.562 nan 8.370 nan 0.000 0.527 292 E N -0.787 119.448 120.200 0.058 0.000 2.171 292 E HA -0.206 4.157 4.350 0.022 0.000 0.197 292 E C 1.746 178.371 176.600 0.041 0.000 0.997 292 E CA 0.995 57.420 56.400 0.042 0.000 0.810 292 E CB -0.106 29.617 29.700 0.038 0.000 0.738 292 E HN 0.389 nan 8.360 nan 0.000 0.467 293 R N -0.733 119.821 120.500 0.089 0.000 2.313 293 R HA 0.060 4.413 4.340 0.022 0.000 0.199 293 R C 1.243 177.472 176.300 -0.119 0.000 0.958 293 R CA 0.518 56.661 56.100 0.072 0.000 1.047 293 R CB 0.463 30.935 30.300 0.287 0.000 0.955 293 R HN 0.264 nan 8.270 nan 0.000 0.481 294 G N 0.106 108.850 108.800 -0.094 0.000 2.176 294 G HA2 -0.262 3.711 3.960 0.022 0.000 0.232 294 G HA3 -0.262 3.711 3.960 0.022 0.000 0.232 294 G C -0.020 174.720 174.900 -0.267 0.000 0.986 294 G CA -0.577 44.403 45.100 -0.200 0.000 0.643 294 G HN 0.191 nan 8.290 nan 0.000 0.522 295 F N 1.079 121.026 119.950 -0.005 0.000 2.396 295 F HA 0.576 5.118 4.527 0.025 0.000 0.343 295 F C 1.391 177.184 175.800 -0.012 0.000 1.104 295 F CA -0.832 57.161 58.000 -0.012 0.000 1.161 295 F CB 0.804 39.793 39.000 -0.019 0.000 1.146 295 F HN -0.045 nan 8.300 nan 0.000 0.522 296 I N 3.455 124.122 120.570 0.162 0.000 2.517 296 I HA 0.079 4.262 4.170 0.022 0.000 0.285 296 I C 0.482 176.648 176.117 0.083 0.000 1.106 296 I CA -0.297 61.055 61.300 0.087 0.000 1.402 296 I CB 0.428 38.461 38.000 0.055 0.000 1.399 296 I HN 0.502 nan 8.210 nan 0.000 0.535 297 R N 6.806 127.340 120.500 0.057 0.000 2.484 297 R HA 0.320 4.673 4.340 0.022 0.000 0.293 297 R C -0.888 175.422 176.300 0.016 0.000 1.023 297 R CA -0.033 56.087 56.100 0.034 0.000 1.037 297 R CB 0.388 30.702 30.300 0.024 0.000 0.951 297 R HN 0.537 nan 8.270 nan 0.000 0.418 298 V N 1.988 121.907 119.914 0.008 0.000 3.078 298 V HA 0.565 4.698 4.120 0.022 0.000 0.311 298 V C -0.477 175.621 176.094 0.005 0.000 1.138 298 V CA -1.031 61.273 62.300 0.008 0.000 1.007 298 V CB 2.002 33.835 31.823 0.017 0.000 1.045 298 V HN 1.021 nan 8.190 nan 0.000 0.432 299 N N 1.721 120.432 118.700 0.019 0.000 2.643 299 N HA 0.604 5.357 4.740 0.022 0.000 0.305 299 N C 1.173 176.713 175.510 0.049 0.000 1.283 299 N CA -0.333 52.732 53.050 0.026 0.000 0.946 299 N CB 1.937 40.439 38.487 0.025 0.000 1.149 299 N HN 0.918 nan 8.380 nan 0.000 0.600 300 A N -0.047 122.808 122.820 0.059 0.000 2.024 300 A HA -0.134 4.199 4.320 0.022 0.000 0.220 300 A C 1.911 179.574 177.584 0.132 0.000 1.164 300 A CA 0.930 53.023 52.037 0.093 0.000 0.643 300 A CB -0.604 18.440 19.000 0.073 0.000 0.806 300 A HN 0.617 nan 8.150 nan 0.000 0.451 301 R N -1.503 119.074 120.500 0.129 0.000 2.320 301 R HA 0.149 4.502 4.340 0.022 0.000 0.211 301 R C -0.023 176.422 176.300 0.241 0.000 0.931 301 R CA 0.305 56.511 56.100 0.176 0.000 1.071 301 R CB 0.032 30.446 30.300 0.190 0.000 1.025 301 R HN 0.409 nan 8.270 nan 0.000 0.495 302 M N -0.469 119.240 119.600 0.182 0.000 2.899 302 M HA -0.203 4.290 4.480 0.022 0.000 0.195 302 M C -0.146 176.308 176.300 0.258 0.000 0.603 302 M CA 0.962 56.371 55.300 0.183 0.000 0.712 302 M CB -2.337 30.367 32.600 0.174 0.000 2.569 302 M HN 0.220 nan 8.290 nan 0.000 0.406 303 E N 1.491 121.795 120.200 0.174 0.000 2.283 303 E HA 0.406 4.769 4.350 0.022 0.000 0.278 303 E C 0.902 177.448 176.600 -0.090 0.000 1.027 303 E CA 0.356 56.700 56.400 -0.095 0.000 0.843 303 E CB 1.215 30.793 29.700 -0.203 0.000 1.062 303 E HN 0.379 nan 8.360 nan 0.000 0.401 304 T N 0.248 114.715 114.554 -0.143 0.000 2.833 304 T HA 0.042 4.405 4.350 0.022 0.000 0.312 304 T C 1.322 175.973 174.700 -0.082 0.000 1.085 304 T CA 0.071 62.125 62.100 -0.078 0.000 0.955 304 T CB 0.715 69.544 68.868 -0.066 0.000 1.353 304 T HN 0.445 nan 8.240 nan 0.000 0.544 305 S N -1.177 114.492 115.700 -0.052 0.000 2.555 305 S HA 0.110 4.593 4.470 0.022 0.000 0.230 305 S C 0.539 175.107 174.600 -0.054 0.000 0.978 305 S CA -0.330 57.845 58.200 -0.042 0.000 0.934 305 S CB -0.517 62.670 63.200 -0.023 0.000 0.766 305 S HN 0.558 nan 8.310 nan 0.000 0.533 306 V N 3.508 123.377 119.914 -0.075 0.000 2.357 306 V HA 0.407 4.540 4.120 0.022 0.000 0.284 306 V C -2.611 173.407 176.094 -0.127 0.000 1.018 306 V CA -2.317 59.937 62.300 -0.077 0.000 0.841 306 V CB 1.120 32.908 31.823 -0.058 0.000 0.991 306 V HN 0.085 nan 8.190 nan 0.000 0.437 307 P HA 0.194 nan 4.420 nan 0.000 0.262 307 P C 1.028 178.239 177.300 -0.147 0.000 1.182 307 P CA 1.443 64.463 63.100 -0.132 0.000 0.761 307 P CB 0.620 32.281 31.700 -0.065 0.000 0.795 308 G N 1.329 109.979 108.800 -0.251 0.000 2.176 308 G HA2 -0.193 3.780 3.960 0.022 0.000 0.253 308 G HA3 -0.193 3.780 3.960 0.022 0.000 0.253 308 G C -0.078 174.718 174.900 -0.174 0.000 0.979 308 G CA -0.143 44.878 45.100 -0.132 0.000 0.641 308 G HN 0.529 nan 8.290 nan 0.000 0.530 309 V N 1.344 121.047 119.914 -0.351 0.000 2.409 309 V HA 0.719 4.852 4.120 0.022 0.000 0.291 309 V C -0.344 175.547 176.094 -0.339 0.000 1.020 309 V CA -0.992 61.195 62.300 -0.188 0.000 0.848 309 V CB 0.991 32.759 31.823 -0.091 0.000 0.990 309 V HN 0.270 nan 8.190 nan 0.000 0.430 310 Y N 2.278 122.582 120.300 0.006 0.000 2.587 310 Y HA 0.871 5.435 4.550 0.023 0.000 0.337 310 Y C 0.337 176.236 175.900 -0.003 0.000 1.065 310 Y CA -1.061 57.042 58.100 0.005 0.000 1.126 310 Y CB 1.992 40.458 38.460 0.010 0.000 1.279 310 Y HN 0.676 nan 8.280 nan 0.000 0.489 311 A N 2.156 125.071 122.820 0.159 0.000 2.414 311 A HA 0.907 5.239 4.320 0.022 0.000 0.306 311 A C -1.059 176.559 177.584 0.058 0.000 1.054 311 A CA -0.655 51.430 52.037 0.081 0.000 0.724 311 A CB 0.982 20.014 19.000 0.053 0.000 1.267 311 A HN 0.782 nan 8.150 nan 0.000 0.418 312 I N -1.381 119.203 120.570 0.023 0.000 3.191 312 I HA 0.921 5.104 4.170 0.022 0.000 0.313 312 I C 0.548 176.646 176.117 -0.031 0.000 1.193 312 I CA -0.366 60.924 61.300 -0.016 0.000 0.968 312 I CB 1.801 39.788 38.000 -0.022 0.000 1.262 312 I HN 1.814 nan 8.210 nan 0.000 0.456 313 G N 2.450 111.208 108.800 -0.070 0.000 2.552 313 G HA2 -0.270 3.703 3.960 0.022 0.000 0.265 313 G HA3 -0.270 3.703 3.960 0.022 0.000 0.265 313 G C 0.100 174.989 174.900 -0.018 0.000 1.234 313 G CA 0.785 45.845 45.100 -0.067 0.000 0.944 313 G HN 0.864 nan 8.290 nan 0.000 0.568 314 D N 0.433 120.842 120.400 0.014 0.000 2.182 314 D HA 0.099 4.752 4.640 0.022 0.000 0.201 314 D C 2.686 179.108 176.300 0.202 0.000 0.986 314 D CA 2.244 56.305 54.000 0.102 0.000 0.847 314 D CB -0.605 40.238 40.800 0.072 0.000 0.942 314 D HN 0.902 nan 8.370 nan 0.000 0.467 315 A N 0.162 123.047 122.820 0.109 0.000 2.066 315 A HA 0.168 4.501 4.320 0.022 0.000 0.218 315 A C 2.145 179.849 177.584 0.200 0.000 1.157 315 A CA 1.596 53.694 52.037 0.102 0.000 0.670 315 A CB -0.193 18.825 19.000 0.029 0.000 0.804 315 A HN 0.233 nan 8.150 nan 0.000 0.453 316 A N -0.401 122.520 122.820 0.168 0.000 1.924 316 A HA 0.407 4.740 4.320 0.022 0.000 0.211 316 A C 1.042 178.673 177.584 0.078 0.000 1.198 316 A CA 0.951 53.058 52.037 0.117 0.000 0.657 316 A CB 0.115 19.120 19.000 0.008 0.000 0.852 316 A HN 0.724 nan 8.150 nan 0.000 0.454 317 R N -2.752 117.713 120.500 -0.059 0.000 3.062 317 R HA 0.315 4.668 4.340 0.022 0.000 0.279 317 R C -3.763 172.268 176.300 -0.449 0.000 1.003 317 R CA -1.291 54.504 56.100 -0.510 0.000 0.872 317 R CB 0.042 30.128 30.300 -0.357 0.000 1.280 317 R HN -0.088 nan 8.270 nan 0.000 0.516 318 P HA 0.317 nan 4.420 nan 0.000 0.278 318 P C -2.396 174.778 177.300 -0.210 0.000 1.258 318 P CA -1.295 61.626 63.100 -0.297 0.000 0.811 318 P CB 0.267 31.795 31.700 -0.288 0.000 1.063 319 P HA 0.106 nan 4.420 nan 0.000 0.272 319 P C -0.597 176.661 177.300 -0.070 0.000 1.223 319 P CA 0.200 63.263 63.100 -0.063 0.000 0.784 319 P CB 0.531 32.227 31.700 -0.007 0.000 0.923 320 L N 2.905 124.114 121.223 -0.023 0.000 2.466 320 L HA 0.310 4.663 4.340 0.022 0.000 0.248 320 L C 0.262 177.113 176.870 -0.032 0.000 1.240 320 L CA -0.114 54.721 54.840 -0.008 0.000 1.180 320 L CB -0.809 41.280 42.059 0.051 0.000 1.413 320 L HN 0.194 nan 8.230 nan 0.000 0.406 321 L N 0.071 121.230 121.223 -0.107 0.000 2.342 321 L HA 0.579 4.932 4.340 0.022 0.000 0.271 321 L C 1.214 177.933 176.870 -0.251 0.000 1.008 321 L CA -0.459 54.270 54.840 -0.186 0.000 0.818 321 L CB 1.946 43.796 42.059 -0.349 0.000 1.296 321 L HN 0.367 nan 8.230 nan 0.000 0.427 322 A N 0.982 123.696 122.820 -0.176 0.000 1.873 322 A HA -0.180 4.153 4.320 0.022 0.000 0.215 322 A C 2.036 179.519 177.584 -0.169 0.000 1.186 322 A CA 1.651 53.615 52.037 -0.121 0.000 0.616 322 A CB -0.833 18.167 19.000 -0.001 0.000 0.823 322 A HN 0.952 nan 8.150 nan 0.000 0.442 323 H N -0.216 118.830 119.070 -0.039 0.000 2.421 323 H HA -0.099 4.471 4.556 0.023 0.000 0.298 323 H C 1.837 177.146 175.328 -0.031 0.000 1.087 323 H CA 1.509 57.523 56.048 -0.057 0.000 1.330 323 H CB -0.514 29.243 29.762 -0.008 0.000 1.388 323 H HN 0.630 nan 8.280 nan 0.000 0.526 324 K N 1.690 121.907 120.400 -0.304 0.000 2.025 324 K HA -0.036 4.297 4.320 0.022 0.000 0.207 324 K C 2.524 179.079 176.600 -0.075 0.000 1.049 324 K CA 1.169 57.412 56.287 -0.074 0.000 0.933 324 K CB -0.203 32.197 32.500 -0.166 0.000 0.714 324 K HN 0.207 nan 8.250 nan 0.000 0.438 325 A N 1.457 124.179 122.820 -0.163 0.000 1.908 325 A HA -0.169 4.164 4.320 0.022 0.000 0.218 325 A C 2.188 179.657 177.584 -0.192 0.000 1.181 325 A CA 1.894 53.836 52.037 -0.157 0.000 0.627 325 A CB -0.540 18.365 19.000 -0.158 0.000 0.818 325 A HN 0.413 nan 8.150 nan 0.000 0.445 326 M N -1.554 117.862 119.600 -0.306 0.000 2.086 326 M HA -0.168 4.325 4.480 0.022 0.000 0.261 326 M C 2.364 178.514 176.300 -0.250 0.000 1.067 326 M CA 2.053 57.007 55.300 -0.576 0.000 1.116 326 M CB -0.277 31.784 32.600 -0.898 0.000 1.348 326 M HN 0.386 nan 8.290 nan 0.000 0.407 327 R N 0.955 121.408 120.500 -0.078 0.000 2.075 327 R HA -0.100 4.253 4.340 0.022 0.000 0.232 327 R C 1.676 178.065 176.300 0.149 0.000 1.126 327 R CA 1.772 57.896 56.100 0.040 0.000 0.963 327 R CB -0.483 29.869 30.300 0.086 0.000 0.858 327 R HN 0.428 nan 8.270 nan 0.000 0.435 328 E N -1.041 119.266 120.200 0.178 0.000 2.110 328 E HA -0.113 4.250 4.350 0.022 0.000 0.193 328 E C 1.840 178.467 176.600 0.045 0.000 0.988 328 E CA 1.142 57.621 56.400 0.132 0.000 0.804 328 E CB -0.270 29.405 29.700 -0.042 0.000 0.745 328 E HN 0.610 nan 8.360 nan 0.000 0.458 329 G N 1.363 110.160 108.800 -0.006 0.000 2.418 329 G HA2 -0.226 3.747 3.960 0.022 0.000 0.217 329 G HA3 -0.226 3.747 3.960 0.022 0.000 0.217 329 G C 1.585 176.486 174.900 0.002 0.000 1.158 329 G CA 0.429 45.520 45.100 -0.015 0.000 0.771 329 G HN 0.085 nan 8.290 nan 0.000 0.545 330 L N 0.413 121.656 121.223 0.033 0.000 2.056 330 L HA -0.049 4.304 4.340 0.022 0.000 0.207 330 L C 2.791 179.663 176.870 0.004 0.000 1.078 330 L CA 0.398 55.254 54.840 0.025 0.000 0.749 330 L CB -0.431 41.650 42.059 0.037 0.000 0.901 330 L HN 0.110 nan 8.230 nan 0.000 0.433 331 I N 0.513 121.106 120.570 0.039 0.000 2.226 331 I HA -0.235 3.948 4.170 0.022 0.000 0.245 331 I C 2.871 178.951 176.117 -0.061 0.000 1.100 331 I CA 1.638 62.966 61.300 0.046 0.000 1.374 331 I CB -1.498 36.598 38.000 0.160 0.000 1.057 331 I HN 0.173 nan 8.210 nan 0.000 0.413 332 A N 0.951 123.701 122.820 -0.117 0.000 1.902 332 A HA -0.097 4.236 4.320 0.022 0.000 0.217 332 A C 2.597 179.920 177.584 -0.435 0.000 1.181 332 A CA 2.000 53.815 52.037 -0.371 0.000 0.623 332 A CB -0.814 18.041 19.000 -0.240 0.000 0.818 332 A HN 0.407 nan 8.150 nan 0.000 0.443 333 A N -0.120 122.574 122.820 -0.210 0.000 1.883 333 A HA -0.206 4.127 4.320 0.022 0.000 0.217 333 A C 1.921 179.425 177.584 -0.134 0.000 1.186 333 A CA 1.762 53.710 52.037 -0.149 0.000 0.624 333 A CB -0.629 18.329 19.000 -0.070 0.000 0.822 333 A HN 0.637 nan 8.150 nan 0.000 0.444 334 E N -0.145 119.994 120.200 -0.101 0.000 2.058 334 E HA -0.195 4.168 4.350 0.022 0.000 0.194 334 E C 1.789 178.347 176.600 -0.070 0.000 0.997 334 E CA 1.258 57.622 56.400 -0.060 0.000 0.801 334 E CB -0.215 29.470 29.700 -0.026 0.000 0.746 334 E HN 0.549 nan 8.360 nan 0.000 0.450 335 N N 0.532 119.153 118.700 -0.130 0.000 2.244 335 N HA -0.094 4.659 4.740 0.022 0.000 0.183 335 N C 1.630 177.103 175.510 -0.061 0.000 1.016 335 N CA 1.124 54.126 53.050 -0.081 0.000 0.866 335 N CB -0.233 38.219 38.487 -0.059 0.000 0.980 335 N HN 0.119 nan 8.380 nan 0.000 0.430 336 A N 0.691 123.380 122.820 -0.219 0.000 2.015 336 A HA 0.112 4.445 4.320 0.022 0.000 0.219 336 A C 2.032 179.623 177.584 0.012 0.000 1.163 336 A CA 1.478 53.486 52.037 -0.050 0.000 0.646 336 A CB -0.396 18.542 19.000 -0.103 0.000 0.806 336 A HN 0.278 nan 8.150 nan 0.000 0.448 337 A N -1.869 120.941 122.820 -0.018 0.000 2.259 337 A HA 0.431 4.764 4.320 0.022 0.000 0.208 337 A C 1.662 179.257 177.584 0.019 0.000 1.201 337 A CA 1.123 53.162 52.037 0.005 0.000 0.824 337 A CB -0.849 18.147 19.000 -0.007 0.000 0.838 337 A HN 1.777 nan 8.150 nan 0.000 0.485 338 G N -0.796 108.023 108.800 0.031 0.000 2.176 338 G HA2 -0.227 3.746 3.960 0.022 0.000 0.232 338 G HA3 -0.227 3.746 3.960 0.022 0.000 0.232 338 G C 0.438 175.359 174.900 0.035 0.000 0.986 338 G CA 0.421 45.545 45.100 0.039 0.000 0.643 338 G HN 0.564 nan 8.290 nan 0.000 0.522 339 K N -0.163 120.252 120.400 0.025 0.000 2.440 339 K HA 0.526 4.858 4.320 0.022 0.000 0.252 339 K C -0.456 176.168 176.600 0.039 0.000 1.044 339 K CA 0.041 56.343 56.287 0.026 0.000 0.962 339 K CB 0.349 32.858 32.500 0.015 0.000 1.269 339 K HN 0.062 nan 8.250 nan 0.000 0.505 340 D N 0.244 120.668 120.400 0.039 0.000 2.621 340 D HA 0.165 4.818 4.640 0.022 0.000 0.274 340 D C -1.433 174.897 176.300 0.050 0.000 1.215 340 D CA -0.161 53.870 54.000 0.051 0.000 0.810 340 D CB 0.339 41.165 40.800 0.044 0.000 1.248 340 D HN 0.301 nan 8.370 nan 0.000 0.517 341 S N 0.448 116.182 115.700 0.057 0.000 2.617 341 S HA 0.940 5.423 4.470 0.022 0.000 0.283 341 S C -0.219 174.437 174.600 0.092 0.000 1.189 341 S CA -0.697 57.544 58.200 0.070 0.000 1.036 341 S CB 1.769 65.011 63.200 0.071 0.000 1.014 341 S HN 0.519 nan 8.310 nan 0.000 0.522 342 A N 1.335 124.210 122.820 0.092 0.000 2.454 342 A HA 0.774 5.107 4.320 0.022 0.000 0.302 342 A C -1.473 176.187 177.584 0.128 0.000 1.079 342 A CA -0.633 51.465 52.037 0.103 0.000 0.731 342 A CB 0.859 19.884 19.000 0.042 0.000 1.299 342 A HN 0.686 nan 8.150 nan 0.000 0.413 343 F N 2.780 122.749 119.950 0.031 0.000 2.371 343 F HA 0.482 5.023 4.527 0.024 0.000 0.363 343 F C -0.124 175.597 175.800 -0.132 0.000 1.122 343 F CA -0.798 57.232 58.000 0.051 0.000 1.129 343 F CB 1.191 40.257 39.000 0.111 0.000 1.173 343 F HN 0.552 nan 8.300 nan 0.000 0.489 344 D N 3.550 123.593 120.400 -0.594 0.000 2.865 344 D HA 0.085 4.738 4.640 0.022 0.000 0.347 344 D C -0.905 174.998 176.300 -0.661 0.000 1.498 344 D CA -0.117 53.626 54.000 -0.427 0.000 0.787 344 D CB -1.023 39.555 40.800 -0.370 0.000 1.190 344 D HN 0.309 nan 8.370 nan 0.000 0.445 348 V N 3.924 123.950 119.914 0.187 0.000 2.334 348 V HA 0.463 4.596 4.120 0.022 0.000 0.281 348 V C -1.839 174.378 176.094 0.204 0.000 1.016 348 V CA -1.166 61.281 62.300 0.245 0.000 0.832 348 V CB 1.350 33.336 31.823 0.271 0.000 0.999 348 V HN 0.539 nan 8.190 nan 0.000 0.439 349 P HA 0.436 nan 4.420 nan 0.000 0.278 349 P C -0.698 176.746 177.300 0.240 0.000 1.258 349 P CA -0.341 62.817 63.100 0.098 0.000 0.811 349 P CB 1.512 33.179 31.700 -0.054 0.000 1.063 350 S N -0.593 115.229 115.700 0.203 0.000 2.538 350 S HA 0.646 5.129 4.470 0.022 0.000 0.288 350 S C -0.714 174.058 174.600 0.286 0.000 1.108 350 S CA -0.687 57.701 58.200 0.314 0.000 0.971 350 S CB 1.153 64.581 63.200 0.380 0.000 1.041 350 S HN 0.232 nan 8.310 nan 0.000 0.483 351 V N 2.050 122.124 119.914 0.267 0.000 2.789 351 V HA 0.641 4.774 4.120 0.022 0.000 0.311 351 V C -0.798 175.432 176.094 0.228 0.000 1.073 351 V CA -0.758 61.627 62.300 0.141 0.000 0.921 351 V CB 2.057 33.766 31.823 -0.190 0.000 1.009 351 V HN 0.860 nan 8.190 nan 0.000 0.426 352 V N 3.967 124.006 119.914 0.209 0.000 2.409 352 V HA 0.333 4.466 4.120 0.022 0.000 0.291 352 V C -0.568 175.609 176.094 0.139 0.000 1.020 352 V CA -0.452 62.000 62.300 0.253 0.000 0.848 352 V CB 1.379 33.351 31.823 0.250 0.000 0.990 352 V HN 0.853 nan 8.190 nan 0.000 0.430 353 Y N 2.396 122.775 120.300 0.131 0.000 2.547 353 Y HA 0.119 4.682 4.550 0.021 0.000 0.325 353 Y C 1.777 177.735 175.900 0.097 0.000 1.165 353 Y CA -0.468 57.697 58.100 0.108 0.000 1.300 353 Y CB -0.757 37.761 38.460 0.096 0.000 1.126 353 Y HN 0.747 nan 8.280 nan 0.000 0.513 354 T N -2.941 111.732 114.554 0.198 0.000 2.698 354 T HA 0.340 4.703 4.350 0.022 0.000 0.295 354 T C 0.353 175.114 174.700 0.103 0.000 1.007 354 T CA -0.786 61.394 62.100 0.134 0.000 0.980 354 T CB 1.075 70.007 68.868 0.107 0.000 1.036 354 T HN 0.078 nan 8.240 nan 0.000 0.526 355 S N 2.847 118.583 115.700 0.060 0.000 2.707 355 S HA 0.459 4.941 4.470 0.022 0.000 0.312 355 S C -2.376 172.241 174.600 0.027 0.000 1.116 355 S CA -0.999 57.226 58.200 0.042 0.000 1.078 355 S CB 1.204 64.415 63.200 0.019 0.000 0.997 355 S HN 0.679 nan 8.310 nan 0.000 0.477 356 P HA 0.191 nan 4.420 nan 0.000 0.272 356 P C -0.493 176.857 177.300 0.083 0.000 1.240 356 P CA -0.390 62.748 63.100 0.064 0.000 0.791 356 P CB 0.778 32.519 31.700 0.067 0.000 0.978 357 E N -0.245 119.991 120.200 0.061 0.000 2.314 357 E HA 0.274 4.637 4.350 0.022 0.000 0.262 357 E C -0.975 175.695 176.600 0.116 0.000 1.093 357 E CA -0.249 56.184 56.400 0.056 0.000 0.908 357 E CB 0.864 30.533 29.700 -0.052 0.000 1.091 357 E HN 0.471 nan 8.360 nan 0.000 0.425 358 W N 0.399 121.675 121.300 -0.039 0.000 2.819 358 W HA 0.575 5.248 4.660 0.021 0.000 0.337 358 W C -1.586 174.920 176.519 -0.023 0.000 1.077 358 W CA -0.358 56.986 57.345 -0.001 0.000 1.226 358 W CB 1.565 31.044 29.460 0.031 0.000 1.419 358 W HN 0.520 nan 8.180 nan 0.000 0.502 359 A N 3.363 125.670 122.820 -0.855 0.000 2.547 359 A HA 0.863 5.196 4.320 0.022 0.000 0.297 359 A C -0.956 175.931 177.584 -1.161 0.000 1.056 359 A CA -0.316 51.290 52.037 -0.718 0.000 0.688 359 A CB 1.240 20.009 19.000 -0.385 0.000 1.282 359 A HN 1.249 nan 8.150 nan 0.000 0.400 360 G N -0.738 107.632 108.800 -0.716 0.000 2.718 360 G HA2 0.749 4.722 3.960 0.022 0.000 0.295 360 G HA3 0.749 4.722 3.960 0.022 0.000 0.295 360 G C -1.834 172.878 174.900 -0.314 0.000 1.421 360 G CA -0.220 44.532 45.100 -0.580 0.000 0.902 360 G HN 1.887 nan 8.290 nan 0.000 0.501 361 V N 0.336 119.943 119.914 -0.513 0.000 3.077 361 V HA 0.871 5.004 4.120 0.022 0.000 0.299 361 V C 0.588 176.499 176.094 -0.305 0.000 1.276 361 V CA 1.371 63.518 62.300 -0.255 0.000 0.993 361 V CB 1.547 33.252 31.823 -0.198 0.000 1.076 361 V HN 2.798 nan 8.190 nan 0.000 0.434 362 G N 4.247 112.986 108.800 -0.102 0.000 2.568 362 G HA2 -0.122 3.851 3.960 0.022 0.000 0.222 362 G HA3 -0.122 3.851 3.960 0.022 0.000 0.222 362 G C -0.906 174.036 174.900 0.069 0.000 1.321 362 G CA -0.173 44.892 45.100 -0.058 0.000 0.893 362 G HN 1.277 nan 8.290 nan 0.000 0.569 363 L N 1.591 122.870 121.223 0.094 0.000 2.312 363 L HA 0.548 4.901 4.340 0.022 0.000 0.281 363 L C 1.611 178.705 176.870 0.373 0.000 1.070 363 L CA -0.269 54.691 54.840 0.200 0.000 0.805 363 L CB 1.429 43.553 42.059 0.108 0.000 1.174 363 L HN 1.022 nan 8.230 nan 0.000 0.434 364 T N -1.934 112.826 114.554 0.342 0.000 2.754 364 T HA 0.122 4.485 4.350 0.022 0.000 0.286 364 T C 0.936 175.711 174.700 0.125 0.000 0.997 364 T CA -0.594 61.606 62.100 0.166 0.000 0.982 364 T CB 0.989 69.840 68.868 -0.028 0.000 1.027 364 T HN 0.655 nan 8.240 nan 0.000 0.529 365 E N 0.082 120.315 120.200 0.055 0.000 2.085 365 E HA -0.205 4.158 4.350 0.022 0.000 0.194 365 E C 2.100 178.742 176.600 0.070 0.000 0.994 365 E CA 1.410 57.852 56.400 0.071 0.000 0.801 365 E CB -0.098 29.626 29.700 0.041 0.000 0.743 365 E HN 0.886 nan 8.360 nan 0.000 0.453 366 E N 1.243 121.470 120.200 0.045 0.000 2.051 366 E HA -0.250 4.113 4.350 0.022 0.000 0.192 366 E C 1.797 178.441 176.600 0.074 0.000 0.991 366 E CA 1.308 57.738 56.400 0.049 0.000 0.799 366 E CB 0.069 29.785 29.700 0.027 0.000 0.748 366 E HN 0.287 nan 8.360 nan 0.000 0.449 367 E N 0.178 120.431 120.200 0.089 0.000 2.106 367 E HA -0.150 4.213 4.350 0.022 0.000 0.192 367 E C 2.040 178.732 176.600 0.154 0.000 0.984 367 E CA 0.818 57.285 56.400 0.112 0.000 0.806 367 E CB -0.116 29.657 29.700 0.122 0.000 0.750 367 E HN 0.364 nan 8.360 nan 0.000 0.458 368 A N 1.899 124.819 122.820 0.168 0.000 1.898 368 A HA -0.227 4.106 4.320 0.022 0.000 0.216 368 A C 2.091 179.848 177.584 0.288 0.000 1.181 368 A CA 1.632 53.819 52.037 0.249 0.000 0.620 368 A CB -0.366 18.716 19.000 0.137 0.000 0.819 368 A HN 0.092 nan 8.150 nan 0.000 0.442 369 K N -0.401 120.102 120.400 0.172 0.000 2.026 369 K HA -0.152 4.181 4.320 0.022 0.000 0.208 369 K C 2.296 178.955 176.600 0.099 0.000 1.048 369 K CA 1.433 57.797 56.287 0.128 0.000 0.929 369 K CB -0.237 32.314 32.500 0.086 0.000 0.713 369 K HN 0.387 nan 8.250 nan 0.000 0.439 370 R N 0.003 120.558 120.500 0.091 0.000 2.127 370 R HA -0.084 4.269 4.340 0.022 0.000 0.238 370 R C 1.709 178.040 176.300 0.051 0.000 1.134 370 R CA 1.321 57.459 56.100 0.063 0.000 0.975 370 R CB -0.204 30.134 30.300 0.062 0.000 0.865 370 R HN 0.300 nan 8.270 nan 0.000 0.447 371 A N -0.548 122.326 122.820 0.089 0.000 2.238 371 A HA 0.196 4.529 4.320 0.022 0.000 0.208 371 A C 1.243 178.728 177.584 -0.164 0.000 1.177 371 A CA 0.757 52.806 52.037 0.020 0.000 0.804 371 A CB -0.098 19.006 19.000 0.174 0.000 0.823 371 A HN 0.549 nan 8.150 nan 0.000 0.482 372 G N -2.312 106.439 108.800 -0.081 0.000 2.141 372 G HA2 -0.285 3.688 3.960 0.022 0.000 0.242 372 G HA3 -0.285 3.688 3.960 0.022 0.000 0.242 372 G C -0.020 174.790 174.900 -0.149 0.000 0.982 372 G CA 0.268 45.290 45.100 -0.130 0.000 0.662 372 G HN 0.466 nan 8.290 nan 0.000 0.527 373 Y N 0.354 120.679 120.300 0.041 0.000 2.300 373 Y HA 0.516 5.079 4.550 0.021 0.000 0.328 373 Y C 1.123 177.054 175.900 0.051 0.000 1.270 373 Y CA -0.475 57.655 58.100 0.050 0.000 1.352 373 Y CB 0.711 39.208 38.460 0.061 0.000 1.286 373 Y HN -0.163 nan 8.280 nan 0.000 0.536 374 K N 2.605 123.143 120.400 0.231 0.000 2.150 374 K HA 0.197 4.530 4.320 0.022 0.000 0.261 374 K C -0.920 175.773 176.600 0.154 0.000 1.127 374 K CA -0.215 56.159 56.287 0.146 0.000 0.989 374 K CB -0.089 32.479 32.500 0.114 0.000 1.475 374 K HN 0.388 nan 8.250 nan 0.000 0.391 375 V N 2.797 122.798 119.914 0.144 0.000 2.617 375 V HA -0.010 4.123 4.120 0.022 0.000 0.304 375 V C 0.650 176.793 176.094 0.082 0.000 1.040 375 V CA 0.389 62.766 62.300 0.127 0.000 1.149 375 V CB 0.006 31.896 31.823 0.112 0.000 0.914 375 V HN 0.531 nan 8.190 nan 0.000 0.487 376 K N 3.869 124.332 120.400 0.105 0.000 2.498 376 K HA 0.750 5.083 4.320 0.022 0.000 0.254 376 K C -1.258 175.403 176.600 0.102 0.000 0.933 376 K CA -0.681 55.588 56.287 -0.029 0.000 0.806 376 K CB 2.428 34.754 32.500 -0.290 0.000 1.301 376 K HN 0.576 nan 8.250 nan 0.000 0.432 377 V N -0.877 119.045 119.914 0.012 0.000 3.001 377 V HA 0.953 5.086 4.120 0.022 0.000 0.314 377 V C -0.367 175.809 176.094 0.136 0.000 1.099 377 V CA -0.631 61.765 62.300 0.161 0.000 0.989 377 V CB 1.755 33.646 31.823 0.114 0.000 1.040 377 V HN 0.814 nan 8.190 nan 0.000 0.434 378 G N 1.431 110.374 108.800 0.238 0.000 2.643 378 G HA2 0.721 4.694 3.960 0.022 0.000 0.305 378 G HA3 0.721 4.694 3.960 0.022 0.000 0.305 378 G C -1.231 173.755 174.900 0.143 0.000 1.387 378 G CA -0.938 44.274 45.100 0.186 0.000 0.982 378 G HN 0.825 nan 8.290 nan 0.000 0.501 379 K N 0.812 121.290 120.400 0.130 0.000 2.422 379 K HA 0.545 4.878 4.320 0.022 0.000 0.251 379 K C -1.992 174.726 176.600 0.195 0.000 0.933 379 K CA -0.779 55.588 56.287 0.132 0.000 0.798 379 K CB 2.995 35.545 32.500 0.083 0.000 1.238 379 K HN 0.367 nan 8.250 nan 0.000 0.428 380 F N 4.658 124.621 119.950 0.023 0.000 2.579 380 F HA 0.348 4.888 4.527 0.021 0.000 0.325 380 F C -2.542 173.270 175.800 0.020 0.000 1.162 380 F CA -2.167 55.846 58.000 0.022 0.000 0.946 380 F CB 1.618 40.626 39.000 0.013 0.000 1.211 380 F HN 0.304 nan 8.300 nan 0.000 0.447 381 P HA 0.168 nan 4.420 nan 0.000 0.280 381 P C 0.684 177.709 177.300 -0.459 0.000 1.244 381 P CA -0.211 62.666 63.100 -0.372 0.000 0.784 381 P CB 1.897 33.425 31.700 -0.287 0.000 0.913 382 L N 2.495 123.616 121.223 -0.171 0.000 2.353 382 L HA -0.170 4.183 4.340 0.022 0.000 0.220 382 L C 2.447 179.261 176.870 -0.093 0.000 1.133 382 L CA 1.315 56.111 54.840 -0.074 0.000 0.798 382 L CB -0.678 41.381 42.059 -0.001 0.000 0.922 382 L HN 0.429 nan 8.230 nan 0.000 0.445 383 A N 0.054 122.795 122.820 -0.131 0.000 2.076 383 A HA -0.128 4.204 4.320 0.022 0.000 0.220 383 A C 2.144 179.667 177.584 -0.102 0.000 1.160 383 A CA 1.645 53.626 52.037 -0.093 0.000 0.653 383 A CB -0.370 18.577 19.000 -0.089 0.000 0.801 383 A HN 0.404 nan 8.150 nan 0.000 0.455 384 A N -0.913 121.793 122.820 -0.190 0.000 2.379 384 A HA 0.452 4.785 4.320 0.022 0.000 0.236 384 A C 0.981 178.583 177.584 0.030 0.000 1.272 384 A CA 0.535 52.507 52.037 -0.109 0.000 0.886 384 A CB -0.318 18.565 19.000 -0.195 0.000 0.962 384 A HN 0.344 nan 8.150 nan 0.000 0.504 385 S N -0.486 115.238 115.700 0.040 0.000 2.452 385 S HA 0.456 4.939 4.470 0.022 0.000 0.284 385 S C 1.437 176.044 174.600 0.012 0.000 1.171 385 S CA 0.047 58.304 58.200 0.096 0.000 1.064 385 S CB 1.068 64.341 63.200 0.123 0.000 0.967 385 S HN 0.463 nan 8.310 nan 0.000 0.484 386 G N 4.450 113.238 108.800 -0.021 0.000 2.403 386 G HA2 -0.153 3.820 3.960 0.022 0.000 0.216 386 G HA3 -0.153 3.820 3.960 0.022 0.000 0.216 386 G C 1.494 176.361 174.900 -0.054 0.000 1.154 386 G CA 0.393 45.470 45.100 -0.038 0.000 0.784 386 G HN 0.639 nan 8.290 nan 0.000 0.538 387 R N 1.292 121.746 120.500 -0.077 0.000 2.075 387 R HA 0.147 4.500 4.340 0.022 0.000 0.232 387 R C 2.721 179.008 176.300 -0.021 0.000 1.126 387 R CA 1.695 57.753 56.100 -0.069 0.000 0.963 387 R CB -0.991 29.262 30.300 -0.079 0.000 0.858 387 R HN 0.210 nan 8.270 nan 0.000 0.435 388 A N 0.382 123.203 122.820 0.002 0.000 1.940 388 A HA -0.136 4.197 4.320 0.022 0.000 0.219 388 A C 2.057 179.658 177.584 0.030 0.000 1.176 388 A CA 1.530 53.579 52.037 0.021 0.000 0.631 388 A CB -0.662 18.355 19.000 0.029 0.000 0.814 388 A HN 0.345 nan 8.150 nan 0.000 0.446 389 L N 0.362 121.596 121.223 0.019 0.000 2.109 389 L HA -0.088 4.265 4.340 0.022 0.000 0.207 389 L C 2.731 179.621 176.870 0.032 0.000 1.086 389 L CA 2.588 57.445 54.840 0.028 0.000 0.760 389 L CB -0.768 41.300 42.059 0.015 0.000 0.910 389 L HN 0.585 nan 8.230 nan 0.000 0.437 390 T N -3.628 110.930 114.554 0.007 0.000 3.072 390 T HA -0.096 4.266 4.350 0.022 0.000 0.266 390 T C 1.584 176.287 174.700 0.005 0.000 1.127 390 T CA 0.847 62.941 62.100 -0.010 0.000 1.107 390 T CB -0.463 68.382 68.868 -0.038 0.000 0.910 390 T HN 0.333 nan 8.240 nan 0.000 0.513 391 L N 0.476 121.724 121.223 0.041 0.000 2.628 391 L HA 0.420 4.773 4.340 0.022 0.000 0.229 391 L C 1.884 178.879 176.870 0.208 0.000 1.137 391 L CA 0.295 55.182 54.840 0.079 0.000 0.909 391 L CB -0.228 41.853 42.059 0.038 0.000 1.137 391 L HN 0.576 nan 8.230 nan 0.000 0.470 392 G N -0.149 108.770 108.800 0.198 0.000 2.157 392 G HA2 -0.123 3.850 3.960 0.022 0.000 0.239 392 G HA3 -0.123 3.850 3.960 0.022 0.000 0.239 392 G C 0.372 175.384 174.900 0.185 0.000 0.982 392 G CA -0.247 45.010 45.100 0.262 0.000 0.650 392 G HN 0.696 nan 8.290 nan 0.000 0.527 393 G N -1.658 107.223 108.800 0.136 0.000 2.405 393 G HA2 0.685 4.658 3.960 0.022 0.000 0.303 393 G HA3 0.685 4.658 3.960 0.022 0.000 0.303 393 G C -0.687 174.256 174.900 0.073 0.000 1.644 393 G CA 0.763 45.924 45.100 0.100 0.000 0.899 393 G HN 1.902 nan 8.290 nan 0.000 0.667 394 A N 1.041 123.890 122.820 0.048 0.000 2.664 394 A HA 0.774 5.107 4.320 0.022 0.000 0.338 394 A C -0.389 177.208 177.584 0.022 0.000 1.280 394 A CA -0.407 51.648 52.037 0.030 0.000 0.809 394 A CB 1.114 20.121 19.000 0.011 0.000 1.114 394 A HN 0.619 nan 8.150 nan 0.000 0.479 395 E N 1.259 121.479 120.200 0.033 0.000 2.186 395 E HA 0.639 5.002 4.350 0.022 0.000 0.255 395 E C 0.179 176.798 176.600 0.032 0.000 0.881 395 E CA 0.575 56.993 56.400 0.031 0.000 0.752 395 E CB 1.083 30.810 29.700 0.045 0.000 1.176 395 E HN 1.095 nan 8.360 nan 0.000 0.421 396 G N 2.380 111.192 108.800 0.020 0.000 2.333 396 G HA2 0.455 4.428 3.960 0.022 0.000 0.288 396 G HA3 0.455 4.428 3.960 0.022 0.000 0.288 396 G C -1.274 173.634 174.900 0.014 0.000 1.286 396 G CA -0.219 44.898 45.100 0.028 0.000 0.865 396 G HN 0.761 nan 8.290 nan 0.000 0.506 397 M N -1.966 117.651 119.600 0.028 0.000 2.755 397 M HA 0.699 5.192 4.480 0.022 0.000 0.276 397 M C -2.098 174.233 176.300 0.051 0.000 1.129 397 M CA -0.993 54.327 55.300 0.033 0.000 0.832 397 M CB 1.755 34.370 32.600 0.026 0.000 1.700 397 M HN 0.830 nan 8.290 nan 0.000 0.518 398 V N 1.960 121.927 119.914 0.088 0.000 2.540 398 V HA 0.672 4.805 4.120 0.022 0.000 0.302 398 V C -0.741 175.409 176.094 0.094 0.000 1.035 398 V CA -0.493 61.849 62.300 0.069 0.000 0.873 398 V CB 1.876 33.739 31.823 0.067 0.000 0.992 398 V HN 0.760 nan 8.190 nan 0.000 0.428 399 K N 4.083 124.541 120.400 0.097 0.000 2.376 399 K HA 0.703 5.036 4.320 0.022 0.000 0.257 399 K C -1.196 175.481 176.600 0.128 0.000 0.939 399 K CA -0.418 55.949 56.287 0.133 0.000 0.809 399 K CB 2.109 34.709 32.500 0.168 0.000 1.121 399 K HN 0.612 nan 8.250 nan 0.000 0.425 400 V N 0.892 120.866 119.914 0.101 0.000 2.513 400 V HA 0.627 4.760 4.120 0.022 0.000 0.299 400 V C -0.467 175.696 176.094 0.116 0.000 1.035 400 V CA -0.888 61.438 62.300 0.042 0.000 0.889 400 V CB 1.643 33.429 31.823 -0.061 0.000 0.988 400 V HN 0.338 nan 8.190 nan 0.000 0.440 401 V N 4.039 124.005 119.914 0.087 0.000 2.417 401 V HA 0.959 5.092 4.120 0.022 0.000 0.291 401 V C 0.755 176.865 176.094 0.028 0.000 1.024 401 V CA 0.570 62.947 62.300 0.129 0.000 0.861 401 V CB 1.031 32.955 31.823 0.168 0.000 0.985 401 V HN 1.380 nan 8.190 nan 0.000 0.436 402 G N 2.251 111.136 108.800 0.142 0.000 2.727 402 G HA2 0.460 4.433 3.960 0.022 0.000 0.289 402 G HA3 0.460 4.433 3.960 0.022 0.000 0.289 402 G C -1.894 173.117 174.900 0.185 0.000 1.418 402 G CA -0.440 44.673 45.100 0.022 0.000 0.818 402 G HN 0.529 nan 8.290 nan 0.000 0.486 403 D N -0.290 120.180 120.400 0.116 0.000 2.274 403 D HA 0.140 4.792 4.640 0.022 0.000 0.239 403 D C 0.933 177.410 176.300 0.294 0.000 1.104 403 D CA -0.294 53.826 54.000 0.200 0.000 0.840 403 D CB 2.070 42.990 40.800 0.201 0.000 1.100 403 D HN 0.540 nan 8.370 nan 0.000 0.477 404 E N 3.028 123.382 120.200 0.256 0.000 2.118 404 E HA -0.193 4.170 4.350 0.022 0.000 0.195 404 E C 1.082 177.787 176.600 0.176 0.000 0.992 404 E CA 1.045 57.567 56.400 0.204 0.000 0.804 404 E CB 0.391 30.138 29.700 0.078 0.000 0.741 404 E HN 0.526 nan 8.360 nan 0.000 0.458 405 E N -0.431 119.857 120.200 0.148 0.000 2.028 405 E HA -0.130 4.233 4.350 0.022 0.000 0.191 405 E C 2.243 178.913 176.600 0.117 0.000 0.988 405 E CA 1.887 58.356 56.400 0.115 0.000 0.799 405 E CB -0.110 29.650 29.700 0.099 0.000 0.755 405 E HN 0.415 nan 8.360 nan 0.000 0.447 406 T N -2.311 112.322 114.554 0.131 0.000 3.065 406 T HA -0.003 4.360 4.350 0.022 0.000 0.252 406 T C 0.672 175.433 174.700 0.102 0.000 1.099 406 T CA 0.885 63.049 62.100 0.106 0.000 1.063 406 T CB 0.199 69.131 68.868 0.107 0.000 0.948 406 T HN 0.067 nan 8.240 nan 0.000 0.506 407 D N -0.847 119.640 120.400 0.145 0.000 3.077 407 D HA -0.145 4.508 4.640 0.022 0.000 0.212 407 D C -0.318 175.972 176.300 -0.016 0.000 1.125 407 D CA 0.455 54.535 54.000 0.134 0.000 0.970 407 D CB -1.797 39.098 40.800 0.157 0.000 1.110 407 D HN 0.525 nan 8.370 nan 0.000 0.419 408 L N 0.577 121.795 121.223 -0.008 0.000 2.416 408 L HA 0.419 4.772 4.340 0.022 0.000 0.272 408 L C -0.135 176.637 176.870 -0.163 0.000 1.161 408 L CA -0.268 54.530 54.840 -0.070 0.000 0.845 408 L CB 0.647 42.688 42.059 -0.030 0.000 1.119 408 L HN 0.225 nan 8.230 nan 0.000 0.464 409 L N 5.417 126.530 121.223 -0.183 0.000 2.367 409 L HA 0.248 4.601 4.340 0.022 0.000 0.275 409 L C 0.244 176.994 176.870 -0.199 0.000 1.129 409 L CA 0.614 55.321 54.840 -0.220 0.000 0.839 409 L CB 0.642 42.583 42.059 -0.198 0.000 1.133 409 L HN 0.788 nan 8.230 nan 0.000 0.453 410 L N 4.057 125.156 121.223 -0.206 0.000 2.624 410 L HA 0.535 4.888 4.340 0.022 0.000 0.222 410 L C 0.862 177.651 176.870 -0.135 0.000 1.046 410 L CA 0.280 54.989 54.840 -0.219 0.000 0.872 410 L CB 0.111 41.977 42.059 -0.321 0.000 1.190 410 L HN 0.763 nan 8.230 nan 0.000 0.487 411 G N -0.378 108.353 108.800 -0.114 0.000 2.698 411 G HA2 0.586 4.559 3.960 0.022 0.000 0.293 411 G HA3 0.586 4.559 3.960 0.022 0.000 0.293 411 G C -1.963 172.774 174.900 -0.272 0.000 1.437 411 G CA -0.311 44.688 45.100 -0.167 0.000 0.852 411 G HN -0.271 nan 8.290 nan 0.000 0.499 412 V N 0.293 119.828 119.914 -0.633 0.000 2.733 412 V HA 0.694 4.827 4.120 0.022 0.000 0.306 412 V C -1.424 174.070 176.094 -1.000 0.000 1.084 412 V CA -0.686 61.292 62.300 -0.537 0.000 0.905 412 V CB 1.663 33.277 31.823 -0.349 0.000 1.010 412 V HN 0.643 nan 8.190 nan 0.000 0.424 413 F N 4.451 124.304 119.950 -0.160 0.000 2.547 413 F HA 0.734 5.273 4.527 0.021 0.000 0.316 413 F C -0.191 175.431 175.800 -0.297 0.000 1.121 413 F CA -0.591 57.236 58.000 -0.288 0.000 0.911 413 F CB 1.870 40.788 39.000 -0.136 0.000 1.179 413 F HN 0.206 nan 8.300 nan 0.000 0.443 414 I N 3.607 123.964 120.570 -0.356 0.000 2.545 414 I HA 0.593 4.776 4.170 0.022 0.000 0.292 414 I C -1.331 174.603 176.117 -0.305 0.000 1.040 414 I CA -1.173 59.971 61.300 -0.259 0.000 1.068 414 I CB 2.304 40.163 38.000 -0.236 0.000 1.251 414 I HN 0.329 nan 8.210 nan 0.000 0.424 415 V N 5.425 125.278 119.914 -0.102 0.000 2.525 415 V HA 0.999 5.132 4.120 0.022 0.000 0.299 415 V C -0.206 175.898 176.094 0.017 0.000 1.034 415 V CA 0.345 62.646 62.300 0.001 0.000 0.863 415 V CB 1.257 33.160 31.823 0.133 0.000 0.999 415 V HN 1.054 nan 8.190 nan 0.000 0.423 416 G N 6.625 115.437 108.800 0.020 0.000 2.356 416 G HA2 0.270 4.243 3.960 0.022 0.000 0.300 416 G HA3 0.270 4.243 3.960 0.022 0.000 0.300 416 G C -3.511 171.396 174.900 0.012 0.000 1.331 416 G CA -0.384 44.730 45.100 0.023 0.000 0.905 416 G HN 0.646 nan 8.290 nan 0.000 0.587 417 P HA 0.211 nan 4.420 nan 0.000 0.271 417 P C -0.214 177.080 177.300 -0.010 0.000 1.218 417 P CA 0.641 63.747 63.100 0.009 0.000 0.780 417 P CB 1.164 32.872 31.700 0.013 0.000 0.901 418 Q N -0.025 119.765 119.800 -0.016 0.000 2.406 418 Q HA -0.271 4.082 4.340 0.022 0.000 0.236 418 Q C 1.380 177.338 176.000 -0.070 0.000 0.799 418 Q CA 1.401 57.184 55.803 -0.033 0.000 1.286 418 Q CB -2.801 25.925 28.738 -0.019 0.000 1.615 418 Q HN 0.708 nan 8.270 nan 0.000 0.621 419 A N 0.147 122.914 122.820 -0.088 0.000 1.948 419 A HA -0.070 4.263 4.320 0.022 0.000 0.220 419 A C 2.195 179.673 177.584 -0.177 0.000 1.177 419 A CA 2.291 54.248 52.037 -0.133 0.000 0.636 419 A CB -0.864 18.047 19.000 -0.147 0.000 0.815 419 A HN 0.621 nan 8.150 nan 0.000 0.449 420 G N -0.977 107.696 108.800 -0.211 0.000 2.443 420 G HA2 -0.123 3.850 3.960 0.022 0.000 0.219 420 G HA3 -0.123 3.850 3.960 0.022 0.000 0.219 420 G C 1.376 176.180 174.900 -0.160 0.000 1.131 420 G CA 0.912 45.861 45.100 -0.252 0.000 0.775 420 G HN 0.531 nan 8.290 nan 0.000 0.547 421 E N 0.292 120.426 120.200 -0.110 0.000 2.122 421 E HA 0.083 4.446 4.350 0.022 0.000 0.190 421 E C 2.639 179.193 176.600 -0.078 0.000 0.977 421 E CA 0.151 56.508 56.400 -0.072 0.000 0.820 421 E CB -0.157 29.519 29.700 -0.041 0.000 0.770 421 E HN 0.436 nan 8.360 nan 0.000 0.462 422 L N 0.440 121.612 121.223 -0.086 0.000 2.217 422 L HA -0.068 4.285 4.340 0.022 0.000 0.211 422 L C 2.387 179.193 176.870 -0.107 0.000 1.107 422 L CA 0.240 55.032 54.840 -0.079 0.000 0.783 422 L CB -0.273 41.743 42.059 -0.072 0.000 0.919 422 L HN 0.054 nan 8.230 nan 0.000 0.442 423 I N 0.511 120.993 120.570 -0.146 0.000 2.614 423 I HA -0.184 3.999 4.170 0.022 0.000 0.258 423 I C 2.495 178.525 176.117 -0.145 0.000 1.189 423 I CA 0.936 62.130 61.300 -0.176 0.000 1.462 423 I CB -0.253 37.616 38.000 -0.218 0.000 1.092 423 I HN 0.122 nan 8.210 nan 0.000 0.442 424 A N -0.462 122.286 122.820 -0.121 0.000 1.972 424 A HA -0.246 4.087 4.320 0.022 0.000 0.219 424 A C 2.363 179.894 177.584 -0.088 0.000 1.169 424 A CA 1.765 53.740 52.037 -0.104 0.000 0.635 424 A CB -0.674 18.272 19.000 -0.089 0.000 0.810 424 A HN 0.566 nan 8.150 nan 0.000 0.446 425 E N -0.091 120.062 120.200 -0.079 0.000 2.106 425 E HA -0.102 4.261 4.350 0.022 0.000 0.192 425 E C 2.082 178.638 176.600 -0.074 0.000 0.984 425 E CA 0.898 57.260 56.400 -0.064 0.000 0.806 425 E CB -0.203 29.477 29.700 -0.034 0.000 0.750 425 E HN 0.545 nan 8.360 nan 0.000 0.458 426 A N 1.152 123.913 122.820 -0.099 0.000 1.930 426 A HA -0.019 4.314 4.320 0.022 0.000 0.217 426 A C 2.361 179.874 177.584 -0.118 0.000 1.175 426 A CA 1.512 53.474 52.037 -0.125 0.000 0.627 426 A CB -0.589 18.303 19.000 -0.180 0.000 0.815 426 A HN 0.390 nan 8.150 nan 0.000 0.443 427 A N -0.247 122.508 122.820 -0.109 0.000 1.877 427 A HA -0.046 4.287 4.320 0.022 0.000 0.216 427 A C 2.132 179.679 177.584 -0.063 0.000 1.186 427 A CA 1.747 53.734 52.037 -0.083 0.000 0.620 427 A CB -0.681 18.273 19.000 -0.077 0.000 0.822 427 A HN 0.740 nan 8.150 nan 0.000 0.443 428 L N -0.100 121.084 121.223 -0.064 0.000 2.042 428 L HA -0.086 4.266 4.340 0.022 0.000 0.210 428 L C 2.642 179.481 176.870 -0.051 0.000 1.076 428 L CA 2.286 57.095 54.840 -0.052 0.000 0.749 428 L CB -0.893 41.133 42.059 -0.055 0.000 0.893 428 L HN 0.353 nan 8.230 nan 0.000 0.432 429 A N -0.346 122.436 122.820 -0.062 0.000 1.892 429 A HA -0.212 4.121 4.320 0.022 0.000 0.218 429 A C 2.285 179.829 177.584 -0.066 0.000 1.188 429 A CA 2.249 54.246 52.037 -0.065 0.000 0.631 429 A CB -0.999 17.954 19.000 -0.078 0.000 0.822 429 A HN 0.531 nan 8.150 nan 0.000 0.447 430 L N -0.792 120.388 121.223 -0.072 0.000 2.056 430 L HA -0.158 4.195 4.340 0.022 0.000 0.207 430 L C 2.648 179.494 176.870 -0.041 0.000 1.078 430 L CA 1.241 56.042 54.840 -0.065 0.000 0.749 430 L CB -0.615 41.402 42.059 -0.070 0.000 0.901 430 L HN 0.356 nan 8.230 nan 0.000 0.433 431 E N -0.111 120.073 120.200 -0.027 0.000 2.153 431 E HA -0.178 4.185 4.350 0.022 0.000 0.194 431 E C 2.050 178.641 176.600 -0.014 0.000 0.988 431 E CA 1.110 57.506 56.400 -0.007 0.000 0.811 431 E CB -0.091 29.619 29.700 0.016 0.000 0.746 431 E HN 0.420 nan 8.360 nan 0.000 0.466 432 M N -0.859 118.727 119.600 -0.024 0.000 2.561 432 M HA 0.127 4.620 4.480 0.022 0.000 0.238 432 M C 0.896 177.181 176.300 -0.026 0.000 1.131 432 M CA 0.537 55.823 55.300 -0.024 0.000 1.046 432 M CB -0.388 32.195 32.600 -0.028 0.000 1.532 432 M HN 0.140 nan 8.290 nan 0.000 0.497 433 G N 1.712 110.494 108.800 -0.031 0.000 2.272 433 G HA2 -0.149 3.824 3.960 0.022 0.000 0.280 433 G HA3 -0.149 3.824 3.960 0.022 0.000 0.280 433 G C 0.296 175.173 174.900 -0.037 0.000 1.067 433 G CA 0.270 45.352 45.100 -0.031 0.000 0.902 433 G HN 0.781 nan 8.290 nan 0.000 0.500 434 A N -0.091 122.699 122.820 -0.050 0.000 2.386 434 A HA 0.820 5.153 4.320 0.022 0.000 0.248 434 A C 1.069 178.609 177.584 -0.074 0.000 1.082 434 A CA 0.964 52.968 52.037 -0.056 0.000 0.789 434 A CB 0.415 19.378 19.000 -0.061 0.000 1.025 434 A HN 1.843 nan 8.150 nan 0.000 0.490 435 T N -0.547 113.968 114.554 -0.065 0.000 2.923 435 T HA 0.453 4.816 4.350 0.022 0.000 0.281 435 T C 1.035 175.658 174.700 -0.128 0.000 0.995 435 T CA -0.845 61.206 62.100 -0.082 0.000 0.985 435 T CB 0.483 69.335 68.868 -0.026 0.000 1.114 435 T HN 0.279 nan 8.240 nan 0.000 0.548 436 L N 0.557 121.648 121.223 -0.220 0.000 2.131 436 L HA -0.044 4.309 4.340 0.022 0.000 0.210 436 L C 2.807 179.640 176.870 -0.062 0.000 1.092 436 L CA 1.796 56.432 54.840 -0.339 0.000 0.759 436 L CB -1.983 39.543 42.059 -0.888 0.000 0.903 436 L HN 0.874 nan 8.230 nan 0.000 0.435 437 T N -0.783 113.846 114.554 0.124 0.000 2.867 437 T HA -0.145 4.218 4.350 0.022 0.000 0.268 437 T C 1.481 176.209 174.700 0.047 0.000 1.057 437 T CA 1.118 63.312 62.100 0.155 0.000 1.136 437 T CB -0.056 68.863 68.868 0.086 0.000 0.874 437 T HN 0.293 nan 8.240 nan 0.000 0.466 438 D N 0.903 121.307 120.400 0.006 0.000 2.117 438 D HA -0.031 4.622 4.640 0.022 0.000 0.198 438 D C 2.058 178.357 176.300 -0.000 0.000 0.982 438 D CA 0.642 54.638 54.000 -0.006 0.000 0.828 438 D CB -0.338 40.448 40.800 -0.023 0.000 0.967 438 D HN 0.191 nan 8.370 nan 0.000 0.464 439 L N 1.053 122.264 121.223 -0.020 0.000 2.017 439 L HA -0.071 4.282 4.340 0.022 0.000 0.208 439 L C 2.160 179.051 176.870 0.034 0.000 1.073 439 L CA 1.702 56.540 54.840 -0.003 0.000 0.745 439 L CB -0.699 41.314 42.059 -0.076 0.000 0.894 439 L HN -0.049 nan 8.230 nan 0.000 0.432 440 A N -1.041 121.780 122.820 0.002 0.000 1.969 440 A HA -0.079 4.254 4.320 0.022 0.000 0.218 440 A C 2.153 179.760 177.584 0.040 0.000 1.169 440 A CA 1.498 53.540 52.037 0.008 0.000 0.635 440 A CB -0.701 18.327 19.000 0.045 0.000 0.810 440 A HN 0.480 nan 8.150 nan 0.000 0.445 441 L N -0.213 121.036 121.223 0.044 0.000 2.492 441 L HA 0.011 4.364 4.340 0.022 0.000 0.223 441 L C 0.400 177.294 176.870 0.040 0.000 1.132 441 L CA 0.088 54.949 54.840 0.034 0.000 0.850 441 L CB -0.522 41.548 42.059 0.018 0.000 0.966 441 L HN 0.141 nan 8.230 nan 0.000 0.454 442 T N 1.117 115.710 114.554 0.065 0.000 2.834 442 T HA 0.129 4.491 4.350 0.022 0.000 0.298 442 T C 0.273 175.021 174.700 0.080 0.000 0.966 442 T CA -0.160 61.951 62.100 0.019 0.000 1.141 442 T CB 1.546 70.387 68.868 -0.045 0.000 0.905 442 T HN -0.198 nan 8.240 nan 0.000 0.535 443 V N 6.071 125.988 119.914 0.004 0.000 2.370 443 V HA 0.114 4.247 4.120 0.022 0.000 0.257 443 V C 0.266 176.362 176.094 0.002 0.000 1.064 443 V CA -0.442 61.885 62.300 0.044 0.000 0.975 443 V CB -0.825 31.005 31.823 0.011 0.000 1.067 443 V HN 0.788 nan 8.190 nan 0.000 0.485 444 H N 5.347 124.409 119.070 -0.014 0.000 2.525 444 H HA 0.407 4.976 4.556 0.021 0.000 0.339 444 H C -2.115 173.223 175.328 0.017 0.000 1.109 444 H CA -1.816 54.227 56.048 -0.010 0.000 1.352 444 H CB 0.367 30.116 29.762 -0.022 0.000 1.461 444 H HN 0.454 nan 8.280 nan 0.000 0.533 445 P HA 0.065 nan 4.420 nan 0.000 0.269 445 P C -0.763 176.607 177.300 0.118 0.000 1.209 445 P CA 0.095 63.244 63.100 0.081 0.000 0.776 445 P CB 0.465 32.183 31.700 0.030 0.000 0.876 446 H N 2.243 121.334 119.070 0.034 0.000 2.489 446 H HA 0.521 5.090 4.556 0.022 0.000 0.343 446 H C -2.280 173.060 175.328 0.020 0.000 1.086 446 H CA -1.833 54.235 56.048 0.033 0.000 1.198 446 H CB 0.970 30.758 29.762 0.044 0.000 1.490 446 H HN 0.302 nan 8.280 nan 0.000 0.504 447 P HA 0.292 nan 4.420 nan 0.000 0.301 447 P C -1.306 175.842 177.300 -0.254 0.000 1.338 447 P CA -0.570 62.101 63.100 -0.715 0.000 0.834 447 P CB 1.677 32.953 31.700 -0.706 0.000 0.967 448 T N -1.051 113.416 114.554 -0.145 0.000 2.864 448 T HA 0.365 4.728 4.350 0.022 0.000 0.299 448 T C 1.046 175.734 174.700 -0.020 0.000 1.166 448 T CA -0.895 61.172 62.100 -0.055 0.000 1.007 448 T CB 0.873 69.735 68.868 -0.010 0.000 1.219 448 T HN 0.099 nan 8.240 nan 0.000 0.506 449 L N 1.360 122.579 121.223 -0.006 0.000 2.217 449 L HA -0.001 4.351 4.340 0.022 0.000 0.211 449 L C 3.045 179.923 176.870 0.013 0.000 1.107 449 L CA 1.337 56.185 54.840 0.013 0.000 0.783 449 L CB -0.589 41.474 42.059 0.008 0.000 0.919 449 L HN 0.949 nan 8.230 nan 0.000 0.442 450 S N -0.326 115.387 115.700 0.022 0.000 2.419 450 S HA -0.234 4.249 4.470 0.022 0.000 0.235 450 S C 1.665 176.255 174.600 -0.016 0.000 1.019 450 S CA 1.226 59.457 58.200 0.051 0.000 0.982 450 S CB -0.384 62.895 63.200 0.132 0.000 0.789 450 S HN 0.496 nan 8.310 nan 0.000 0.490 451 E N 1.212 121.388 120.200 -0.040 0.000 2.171 451 E HA -0.104 4.259 4.350 0.022 0.000 0.197 451 E C 2.120 178.527 176.600 -0.321 0.000 0.997 451 E CA 1.202 57.494 56.400 -0.178 0.000 0.810 451 E CB -0.320 29.356 29.700 -0.039 0.000 0.738 451 E HN 0.603 nan 8.360 nan 0.000 0.467 452 S N 0.663 116.260 115.700 -0.171 0.000 2.402 452 S HA -0.167 4.316 4.470 0.022 0.000 0.233 452 S C 1.805 176.295 174.600 -0.184 0.000 1.030 452 S CA 0.836 58.966 58.200 -0.116 0.000 1.003 452 S CB -0.082 63.215 63.200 0.162 0.000 0.813 452 S HN 0.112 nan 8.310 nan 0.000 0.477 453 L N 0.870 121.963 121.223 -0.217 0.000 2.044 453 L HA 0.064 4.417 4.340 0.022 0.000 0.205 453 L C 2.376 179.056 176.870 -0.317 0.000 1.075 453 L CA 1.475 56.188 54.840 -0.212 0.000 0.747 453 L CB -0.601 41.365 42.059 -0.155 0.000 0.903 453 L HN 0.340 nan 8.230 nan 0.000 0.435 454 M N -0.976 118.277 119.600 -0.578 0.000 2.108 454 M HA -0.219 4.274 4.480 0.022 0.000 0.261 454 M C 2.101 178.196 176.300 -0.342 0.000 1.066 454 M CA 1.725 56.709 55.300 -0.528 0.000 1.107 454 M CB -0.060 32.082 32.600 -0.764 0.000 1.356 454 M HN 0.226 nan 8.290 nan 0.000 0.406 455 E N 0.131 120.061 120.200 -0.451 0.000 2.152 455 E HA -0.092 4.271 4.350 0.022 0.000 0.192 455 E C 1.980 178.437 176.600 -0.239 0.000 0.983 455 E CA 1.175 57.283 56.400 -0.487 0.000 0.818 455 E CB -0.158 28.823 29.700 -1.197 0.000 0.758 455 E HN 0.651 nan 8.360 nan 0.000 0.467 456 A N 1.461 124.191 122.820 -0.151 0.000 1.972 456 A HA -0.066 4.267 4.320 0.022 0.000 0.219 456 A C 2.377 179.960 177.584 -0.003 0.000 1.169 456 A CA 1.680 53.736 52.037 0.032 0.000 0.635 456 A CB -0.360 18.669 19.000 0.048 0.000 0.810 456 A HN 0.255 nan 8.150 nan 0.000 0.446 457 A N -0.464 122.299 122.820 -0.095 0.000 1.930 457 A HA -0.104 4.229 4.320 0.022 0.000 0.217 457 A C 1.949 179.478 177.584 -0.091 0.000 1.175 457 A CA 1.474 53.424 52.037 -0.145 0.000 0.627 457 A CB -0.356 18.541 19.000 -0.173 0.000 0.815 457 A HN 0.458 nan 8.150 nan 0.000 0.443 458 E N -0.017 120.162 120.200 -0.035 0.000 2.106 458 E HA -0.114 4.249 4.350 0.022 0.000 0.192 458 E C 2.299 178.948 176.600 0.083 0.000 0.984 458 E CA 1.118 57.545 56.400 0.045 0.000 0.806 458 E CB -0.425 29.269 29.700 -0.009 0.000 0.750 458 E HN 0.577 nan 8.360 nan 0.000 0.458 459 A N 0.804 123.668 122.820 0.074 0.000 1.969 459 A HA -0.159 4.174 4.320 0.022 0.000 0.218 459 A C 1.996 179.641 177.584 0.101 0.000 1.169 459 A CA 0.909 53.009 52.037 0.105 0.000 0.635 459 A CB -0.755 18.331 19.000 0.142 0.000 0.810 459 A HN 0.286 nan 8.150 nan 0.000 0.445 460 F N 0.569 120.459 119.950 -0.099 0.000 2.161 460 F HA -0.191 4.349 4.527 0.022 0.000 0.300 460 F C 1.800 177.531 175.800 -0.115 0.000 1.089 460 F CA 2.049 59.955 58.000 -0.157 0.000 1.282 460 F CB -0.315 38.502 39.000 -0.304 0.000 1.010 460 F HN 0.444 nan 8.300 nan 0.000 0.485 461 H N 0.607 119.827 119.070 0.250 0.000 2.538 461 H HA 0.151 4.720 4.556 0.022 0.000 0.286 461 H C 0.152 175.507 175.328 0.045 0.000 1.035 461 H CA -0.213 55.917 56.048 0.136 0.000 1.169 461 H CB 0.047 29.904 29.762 0.159 0.000 1.417 461 H HN -0.078 nan 8.280 nan 0.000 0.567 462 K N 0.872 121.339 120.400 0.111 0.000 3.069 462 K HA -0.252 4.080 4.320 0.022 0.000 0.267 462 K C 0.054 176.696 176.600 0.070 0.000 1.082 462 K CA 1.096 57.421 56.287 0.064 0.000 0.782 462 K CB -1.997 30.522 32.500 0.032 0.000 1.230 462 K HN 0.772 nan 8.250 nan 0.000 0.488 463 Q N -1.843 118.011 119.800 0.089 0.000 2.088 463 Q HA 0.525 4.878 4.340 0.022 0.000 0.270 463 Q C 0.057 176.081 176.000 0.040 0.000 0.854 463 Q CA -0.023 55.816 55.803 0.059 0.000 1.104 463 Q CB 0.937 29.711 28.738 0.059 0.000 1.251 463 Q HN 0.248 nan 8.270 nan 0.000 0.436 464 A N 0.977 123.829 122.820 0.053 0.000 2.425 464 A HA 0.257 4.590 4.320 0.022 0.000 0.242 464 A C 0.854 178.445 177.584 0.012 0.000 1.077 464 A CA -0.253 51.807 52.037 0.039 0.000 0.781 464 A CB 0.208 19.285 19.000 0.129 0.000 1.020 464 A HN 0.482 nan 8.150 nan 0.000 0.494 465 I N 0.413 120.941 120.570 -0.069 0.000 2.556 465 I HA -0.046 4.137 4.170 0.022 0.000 0.251 465 I C 1.600 177.664 176.117 -0.090 0.000 1.105 465 I CA 1.486 62.697 61.300 -0.149 0.000 1.436 465 I CB -1.552 36.243 38.000 -0.342 0.000 1.139 465 I HN 0.847 nan 8.210 nan 0.000 0.438 466 H N 1.259 120.421 119.070 0.153 0.000 2.543 466 H HA 0.264 4.833 4.556 0.021 0.000 0.269 466 H C 0.282 175.736 175.328 0.210 0.000 1.005 466 H CA 0.003 56.181 56.048 0.216 0.000 1.146 466 H CB 0.108 30.068 29.762 0.331 0.000 1.353 466 H HN 0.302 nan 8.280 nan 0.000 0.595 467 I N -2.983 117.750 120.570 0.271 0.000 2.913 467 I HA 0.309 4.492 4.170 0.022 0.000 0.302 467 I C -1.036 175.144 176.117 0.104 0.000 1.246 467 I CA -1.379 60.012 61.300 0.152 0.000 1.010 467 I CB 2.269 40.339 38.000 0.117 0.000 1.259 467 I HN -0.185 nan 8.210 nan 0.000 0.434 468 L N 3.601 124.863 121.223 0.064 0.000 2.417 468 L HA 0.384 4.737 4.340 0.022 0.000 0.268 468 L C 0.323 177.220 176.870 0.046 0.000 1.158 468 L CA -0.204 54.664 54.840 0.047 0.000 0.819 468 L CB 0.319 42.397 42.059 0.032 0.000 1.112 468 L HN 0.656 nan 8.230 nan 0.000 0.458 469 N N 0.000 118.724 118.700 0.040 0.000 1.763 469 N HA 0.000 4.753 4.740 0.022 0.000 0.220 469 N CA 0.000 53.072 53.050 0.036 0.000 0.885 469 N CB 0.000 38.510 38.487 0.038 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667