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 1t6j_1_B DATA FIRST_RESID 39 DATA SEQUENCE TTQVTQVDIV EKXLAAPTDS TLELDGYSLN LGDVVSAARK GRPVRVKDSD DATA SEQUENCE EIRSKIDKSV EFLRSQXXXX XXXXXXXXXX XXXXXTEDAI SLQKALLEHQ DATA SEQUENCE LCGVLPSSFD SFRLGRGLEN SLPLEVVRGA XTIRVNSLTR GHSAVRLVVL DATA SEQUENCE EALTNFLNHG ITPIVPLRGT ISXXXDLSPL SYIAAAISGH PDSKVHVVHE DATA SEQUENCE GKEKILYARE AXALFNLEPV VLGPKEGLGL VNGTAVSASX ATLALHDAHX DATA SEQUENCE LSLLSQSLTA XTVEAXVGHA GSFHPFLHDV TRPHPTQIEV AGNIRKLLEG DATA SEQUENCE SRFAVHHEEE XXXXXXXXXX RQDRYPLRTS PQWLGPLVSD LIHAHAVLTI DATA SEQUENCE EAGQSTTDNP LIDVENKTSH HGGNFQAAAV ANTXEKTRLG LAQIGKLNFT DATA SEQUENCE QLTEXLNAGX NRGLPSCLAA EDPSLSYHCK GLDIAAAAYT SELGHLANPV DATA SEQUENCE TTHVQPAEXA NQAVNSLALI SARRTTESND VLSLLLATHL YCVLQAIDLR DATA SEQUENCE AIEFEFKKQF GPAIVSLIDQ HFGSAXTGSN LRDELVEKVN KTLAKRLEQT DATA SEQUENCE NSYDLVPRWH DAFSFAAGTV VEVLSSTSLS LAAVNAWKVA AAESAISLTR DATA SEQUENCE QVRETFWSAA STSSPALSYL SPRTQILYAF VREELGVKAR RGDVFLGKQE DATA SEQUENCE VTIGSNVSKI YEAIKSGRIN NVLLKXLA 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 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.710 174.700 0.017 0.000 1.109 39 T CA 0.000 62.113 62.100 0.022 0.000 1.349 39 T CB 0.000 68.877 68.868 0.016 0.000 0.612 40 T N -0.947 113.613 114.554 0.011 0.000 3.163 40 T HA 0.131 4.481 4.350 -0.001 0.000 0.260 40 T C 0.452 175.152 174.700 0.001 0.000 1.156 40 T CA 0.396 62.500 62.100 0.008 0.000 1.072 40 T CB -0.379 68.493 68.868 0.006 0.000 0.937 40 T HN 0.696 nan 8.240 nan 0.000 0.528 41 Q N 1.163 120.962 119.800 -0.000 0.000 2.271 41 Q HA 0.552 4.892 4.340 -0.001 0.000 0.258 41 Q C -0.848 175.144 176.000 -0.013 0.000 0.936 41 Q CA -0.847 54.952 55.803 -0.007 0.000 0.909 41 Q CB 2.236 30.971 28.738 -0.005 0.000 1.253 41 Q HN 0.243 nan 8.270 nan 0.000 0.440 42 V N 1.095 120.994 119.914 -0.024 0.000 3.436 42 V HA -0.219 3.900 4.120 -0.001 0.000 0.491 42 V C -0.052 176.016 176.094 -0.044 0.000 0.682 42 V CA 0.875 63.150 62.300 -0.041 0.000 2.037 42 V CB -1.527 30.271 31.823 -0.042 0.000 2.477 42 V HN 1.062 nan 8.190 nan 0.000 0.505 43 T N 1.289 115.806 114.554 -0.062 0.000 2.927 43 T HA 0.617 4.966 4.350 -0.001 0.000 0.286 43 T C 0.646 175.281 174.700 -0.108 0.000 1.040 43 T CA 0.153 62.217 62.100 -0.060 0.000 1.010 43 T CB 2.147 70.987 68.868 -0.048 0.000 1.177 43 T HN 0.732 nan 8.240 nan 0.000 0.546 44 Q N -0.154 119.587 119.800 -0.099 0.000 2.124 44 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 44 Q C 2.207 178.085 176.000 -0.205 0.000 0.977 44 Q CA 2.145 57.847 55.803 -0.169 0.000 0.850 44 Q CB -0.501 28.195 28.738 -0.070 0.000 0.901 44 Q HN 0.709 nan 8.270 nan 0.000 0.429 45 V N -1.357 118.480 119.914 -0.128 0.000 2.407 45 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 45 V C 1.549 177.566 176.094 -0.128 0.000 1.055 45 V CA 2.064 64.293 62.300 -0.117 0.000 1.049 45 V CB -0.742 31.034 31.823 -0.078 0.000 0.662 45 V HN 0.208 nan 8.190 nan 0.000 0.455 46 D N 0.742 121.069 120.400 -0.121 0.000 2.149 46 D HA -0.103 4.536 4.640 -0.001 0.000 0.198 46 D C 2.123 178.332 176.300 -0.153 0.000 0.990 46 D CA 2.009 55.941 54.000 -0.112 0.000 0.839 46 D CB -0.160 40.583 40.800 -0.095 0.000 0.948 46 D HN 0.540 nan 8.370 nan 0.000 0.460 47 I N 0.236 120.661 120.570 -0.241 0.000 2.233 47 I HA -0.189 3.981 4.170 -0.001 0.000 0.243 47 I C 2.430 178.378 176.117 -0.281 0.000 1.093 47 I CA 0.429 61.517 61.300 -0.352 0.000 1.380 47 I CB -0.087 37.525 38.000 -0.647 0.000 1.067 47 I HN -0.132 nan 8.210 nan 0.000 0.413 48 V N 0.923 120.671 119.914 -0.277 0.000 2.295 48 V HA -0.319 3.801 4.120 -0.001 0.000 0.246 48 V C 2.503 178.536 176.094 -0.101 0.000 1.049 48 V CA 2.217 64.406 62.300 -0.185 0.000 1.024 48 V CB -0.693 31.029 31.823 -0.168 0.000 0.648 48 V HN 0.505 nan 8.190 nan 0.000 0.447 49 E N 0.342 120.485 120.200 -0.096 0.000 2.070 49 E HA -0.228 4.121 4.350 -0.001 0.000 0.197 49 E C 1.618 178.194 176.600 -0.040 0.000 1.004 49 E CA 1.052 57.416 56.400 -0.060 0.000 0.805 49 E CB -0.005 29.660 29.700 -0.059 0.000 0.744 49 E HN 0.318 nan 8.360 nan 0.000 0.451 53 A N 0.525 123.359 122.820 0.024 0.000 2.348 53 A HA 0.661 4.981 4.320 -0.001 0.000 0.224 53 A C 1.076 178.673 177.584 0.022 0.000 1.227 53 A CA 0.572 52.619 52.037 0.016 0.000 0.885 53 A CB 0.002 19.007 19.000 0.008 0.000 0.933 53 A HN 0.219 nan 8.150 nan 0.000 0.506 54 A N 1.742 124.580 122.820 0.031 0.000 2.395 54 A HA 0.547 4.867 4.320 -0.001 0.000 0.286 54 A C -2.354 175.243 177.584 0.020 0.000 1.193 54 A CA -1.092 50.962 52.037 0.028 0.000 0.852 54 A CB -0.502 18.519 19.000 0.036 0.000 1.118 54 A HN 0.248 nan 8.150 nan 0.000 0.524 55 P HA 0.078 nan 4.420 nan 0.000 0.266 55 P C 1.029 178.335 177.300 0.010 0.000 1.193 55 P CA 0.473 63.581 63.100 0.012 0.000 0.770 55 P CB 0.715 32.421 31.700 0.011 0.000 0.836 56 T N -3.505 111.054 114.554 0.009 0.000 2.990 56 T HA 0.071 4.421 4.350 -0.001 0.000 0.249 56 T C 0.837 175.541 174.700 0.005 0.000 1.039 56 T CA 0.287 62.391 62.100 0.006 0.000 1.036 56 T CB -0.138 68.734 68.868 0.007 0.000 0.994 56 T HN 0.111 nan 8.240 nan 0.000 0.489 57 D N 1.944 122.348 120.400 0.007 0.000 2.290 57 D HA 0.167 4.807 4.640 -0.001 0.000 0.224 57 D C 1.095 177.398 176.300 0.005 0.000 0.967 57 D CA 0.522 54.526 54.000 0.006 0.000 0.893 57 D CB -0.568 40.237 40.800 0.008 0.000 1.037 57 D HN 0.384 nan 8.370 nan 0.000 0.477 58 S N 0.725 116.429 115.700 0.006 0.000 2.563 58 S HA 0.020 4.489 4.470 -0.001 0.000 0.294 58 S C 0.238 174.840 174.600 0.004 0.000 1.279 58 S CA -0.076 58.128 58.200 0.006 0.000 1.069 58 S CB 0.095 63.300 63.200 0.007 0.000 0.828 58 S HN 0.030 nan 8.310 nan 0.000 0.497 59 T N 5.687 120.243 114.554 0.003 0.000 2.940 59 T HA 0.160 4.509 4.350 -0.001 0.000 0.309 59 T C 0.119 174.821 174.700 0.004 0.000 1.056 59 T CA -0.115 61.986 62.100 0.001 0.000 1.137 59 T CB 0.239 69.106 68.868 -0.000 0.000 0.976 59 T HN 0.622 nan 8.240 nan 0.000 0.547 60 L N 3.387 124.612 121.223 0.002 0.000 2.264 60 L HA 0.364 4.704 4.340 -0.001 0.000 0.289 60 L C -0.050 176.824 176.870 0.007 0.000 1.044 60 L CA -0.521 54.323 54.840 0.006 0.000 0.807 60 L CB 0.581 42.643 42.059 0.004 0.000 1.192 60 L HN 0.668 nan 8.230 nan 0.000 0.425 61 E N 5.697 125.904 120.200 0.011 0.000 2.109 61 E HA 0.295 4.645 4.350 -0.001 0.000 0.278 61 E C -1.205 175.406 176.600 0.019 0.000 0.954 61 E CA -0.908 55.500 56.400 0.014 0.000 0.779 61 E CB 1.813 31.523 29.700 0.016 0.000 1.093 61 E HN 0.361 nan 8.360 nan 0.000 0.401 62 L N 3.663 124.896 121.223 0.016 0.000 2.290 62 L HA 0.139 4.478 4.340 -0.001 0.000 0.284 62 L C 0.676 177.565 176.870 0.031 0.000 1.078 62 L CA 0.220 55.070 54.840 0.018 0.000 0.815 62 L CB 0.430 42.493 42.059 0.007 0.000 1.162 62 L HN 0.572 nan 8.230 nan 0.000 0.435 63 D N -0.039 120.392 120.400 0.051 0.000 2.540 63 D HA 0.221 4.861 4.640 -0.001 0.000 0.229 63 D C 1.107 177.495 176.300 0.145 0.000 1.250 63 D CA 0.291 54.347 54.000 0.092 0.000 0.817 63 D CB 0.414 41.277 40.800 0.104 0.000 1.060 63 D HN 0.637 nan 8.370 nan 0.000 0.508 64 G N -0.113 108.702 108.800 0.026 0.000 2.184 64 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.264 64 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.264 64 G C 0.348 174.967 174.900 -0.467 0.000 0.975 64 G CA 0.869 45.862 45.100 -0.178 0.000 0.642 64 G HN 0.427 nan 8.290 nan 0.000 0.536 65 Y N -0.888 119.419 120.300 0.012 0.000 2.472 65 Y HA 0.226 4.776 4.550 -0.001 0.000 0.283 65 Y C 2.239 178.144 175.900 0.008 0.000 1.038 65 Y CA 0.682 58.789 58.100 0.011 0.000 1.126 65 Y CB -0.117 38.349 38.460 0.011 0.000 1.374 65 Y HN 0.503 nan 8.280 nan 0.000 0.576 66 S N -0.110 115.679 115.700 0.147 0.000 2.517 66 S HA 0.124 4.593 4.470 -0.001 0.000 0.214 66 S C 0.499 175.131 174.600 0.053 0.000 0.991 66 S CA -0.213 58.041 58.200 0.090 0.000 0.906 66 S CB -0.202 63.043 63.200 0.075 0.000 0.789 66 S HN 0.157 nan 8.310 nan 0.000 0.513 67 L N 4.078 125.322 121.223 0.035 0.000 2.640 67 L HA 0.217 4.557 4.340 -0.001 0.000 0.280 67 L C -0.528 176.353 176.870 0.018 0.000 1.229 67 L CA 0.396 55.246 54.840 0.017 0.000 0.919 67 L CB -0.591 41.467 42.059 -0.003 0.000 1.168 67 L HN 0.227 nan 8.230 nan 0.000 0.496 68 N N 3.887 122.602 118.700 0.025 0.000 2.478 68 N HA 0.371 5.111 4.740 -0.001 0.000 0.275 68 N C 0.500 176.024 175.510 0.023 0.000 1.221 68 N CA -0.763 52.310 53.050 0.038 0.000 0.979 68 N CB 0.393 38.916 38.487 0.059 0.000 1.202 68 N HN 0.445 nan 8.380 nan 0.000 0.564 69 L N 0.217 121.459 121.223 0.031 0.000 2.341 69 L HA 0.215 4.555 4.340 -0.001 0.000 0.214 69 L C 2.093 179.006 176.870 0.073 0.000 1.115 69 L CA 1.151 55.997 54.840 0.010 0.000 0.820 69 L CB -1.065 40.944 42.059 -0.083 0.000 0.944 69 L HN 0.844 nan 8.230 nan 0.000 0.452 70 G N -1.211 107.652 108.800 0.105 0.000 2.403 70 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.216 70 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.216 70 G C 1.254 176.181 174.900 0.044 0.000 1.154 70 G CA 0.419 45.580 45.100 0.101 0.000 0.784 70 G HN 0.270 nan 8.290 nan 0.000 0.538 71 D N 0.592 121.012 120.400 0.033 0.000 2.081 71 D HA -0.111 4.529 4.640 -0.001 0.000 0.194 71 D C 2.856 179.155 176.300 -0.002 0.000 0.986 71 D CA 1.076 55.085 54.000 0.015 0.000 0.837 71 D CB -0.844 39.965 40.800 0.015 0.000 0.985 71 D HN 0.075 nan 8.370 nan 0.000 0.448 72 V N 0.973 120.883 119.914 -0.007 0.000 2.277 72 V HA -0.292 3.828 4.120 -0.001 0.000 0.255 72 V C 2.674 178.744 176.094 -0.039 0.000 1.074 72 V CA 1.551 63.838 62.300 -0.021 0.000 1.058 72 V CB -0.652 31.156 31.823 -0.026 0.000 0.656 72 V HN 0.063 nan 8.190 nan 0.000 0.449 73 V N 0.714 120.594 119.914 -0.055 0.000 2.343 73 V HA -0.227 3.893 4.120 -0.001 0.000 0.247 73 V C 2.620 178.658 176.094 -0.093 0.000 1.051 73 V CA 2.200 64.430 62.300 -0.117 0.000 1.036 73 V CB -0.822 30.865 31.823 -0.227 0.000 0.654 73 V HN 0.795 nan 8.190 nan 0.000 0.451 74 S N 1.400 117.069 115.700 -0.052 0.000 2.382 74 S HA -0.135 4.335 4.470 -0.001 0.000 0.228 74 S C 2.025 176.608 174.600 -0.028 0.000 1.027 74 S CA 1.294 59.474 58.200 -0.033 0.000 0.991 74 S CB -0.581 62.613 63.200 -0.010 0.000 0.823 74 S HN 0.583 nan 8.310 nan 0.000 0.469 75 A N 0.913 123.718 122.820 -0.024 0.000 2.167 75 A HA 0.616 4.935 4.320 -0.001 0.000 0.214 75 A C 2.171 179.742 177.584 -0.022 0.000 1.151 75 A CA 1.060 53.086 52.037 -0.018 0.000 0.735 75 A CB -0.715 18.277 19.000 -0.013 0.000 0.802 75 A HN 0.787 nan 8.150 nan 0.000 0.467 76 A N -1.221 121.578 122.820 -0.035 0.000 2.108 76 A HA 0.285 4.604 4.320 -0.001 0.000 0.206 76 A C 1.997 179.556 177.584 -0.043 0.000 1.212 76 A CA 0.838 52.853 52.037 -0.036 0.000 0.843 76 A CB -0.002 18.971 19.000 -0.045 0.000 0.902 76 A HN 0.386 nan 8.150 nan 0.000 0.477 77 R N -1.313 119.155 120.500 -0.054 0.000 2.419 77 R HA 0.184 4.523 4.340 -0.001 0.000 0.235 77 R C 0.110 176.389 176.300 -0.034 0.000 0.899 77 R CA 0.107 56.175 56.100 -0.052 0.000 1.048 77 R CB 0.397 30.646 30.300 -0.085 0.000 1.182 77 R HN -0.006 nan 8.270 nan 0.000 0.544 78 K N 0.286 120.669 120.400 -0.029 0.000 2.726 78 K HA 0.193 4.513 4.320 -0.001 0.000 0.209 78 K C -0.101 176.494 176.600 -0.007 0.000 1.082 78 K CA 0.289 56.568 56.287 -0.014 0.000 1.081 78 K CB 1.190 33.682 32.500 -0.013 0.000 0.830 78 K HN 0.330 nan 8.250 nan 0.000 0.470 79 G N 2.647 111.442 108.800 -0.007 0.000 2.471 79 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.301 79 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.301 79 G C 0.217 175.114 174.900 -0.005 0.000 0.902 79 G CA 0.654 45.752 45.100 -0.004 0.000 1.002 79 G HN 0.383 nan 8.290 nan 0.000 0.509 80 R N 0.276 120.771 120.500 -0.008 0.000 2.390 80 R HA 0.354 4.694 4.340 -0.001 0.000 0.291 80 R C -2.161 174.132 176.300 -0.011 0.000 1.070 80 R CA -1.725 54.371 56.100 -0.007 0.000 1.014 80 R CB 0.693 30.989 30.300 -0.005 0.000 1.007 80 R HN 0.035 nan 8.270 nan 0.000 0.466 81 P HA -0.056 nan 4.420 nan 0.000 0.268 81 P C -0.981 176.311 177.300 -0.014 0.000 1.204 81 P CA -0.140 62.948 63.100 -0.020 0.000 0.768 81 P CB 0.885 32.574 31.700 -0.019 0.000 0.842 82 V N 1.378 121.282 119.914 -0.017 0.000 2.960 82 V HA 0.890 5.009 4.120 -0.001 0.000 0.315 82 V C -0.564 175.525 176.094 -0.008 0.000 1.087 82 V CA -1.008 61.287 62.300 -0.008 0.000 0.982 82 V CB 2.337 34.157 31.823 -0.004 0.000 1.039 82 V HN 0.630 nan 8.190 nan 0.000 0.437 83 R N 1.426 121.925 120.500 -0.002 0.000 2.739 83 R HA 0.537 4.877 4.340 -0.001 0.000 0.266 83 R C -2.038 174.265 176.300 0.006 0.000 1.044 83 R CA -0.343 55.757 56.100 0.001 0.000 0.885 83 R CB 2.065 32.365 30.300 0.000 0.000 1.260 83 R HN 1.344 nan 8.270 nan 0.000 0.477 84 V N 4.486 124.404 119.914 0.008 0.000 2.397 84 V HA 0.183 4.303 4.120 -0.001 0.000 0.262 84 V C 0.269 176.372 176.094 0.014 0.000 1.047 84 V CA 0.034 62.341 62.300 0.011 0.000 1.003 84 V CB 0.290 32.119 31.823 0.010 0.000 1.037 84 V HN 0.797 nan 8.190 nan 0.000 0.480 85 K N 4.927 125.337 120.400 0.017 0.000 2.539 85 K HA -0.164 4.156 4.320 -0.001 0.000 0.271 85 K C 0.086 176.696 176.600 0.016 0.000 1.004 85 K CA 0.576 56.874 56.287 0.018 0.000 1.117 85 K CB 0.140 32.655 32.500 0.025 0.000 0.815 85 K HN 0.867 nan 8.250 nan 0.000 0.481 86 D N 2.836 123.244 120.400 0.013 0.000 2.441 86 D HA 0.063 4.702 4.640 -0.001 0.000 0.243 86 D C -0.974 175.333 176.300 0.011 0.000 1.257 86 D CA 0.427 54.434 54.000 0.012 0.000 1.027 86 D CB 0.177 40.984 40.800 0.010 0.000 1.084 86 D HN 0.439 nan 8.370 nan 0.000 0.514 87 S N 2.213 117.920 115.700 0.012 0.000 2.564 87 S HA 0.278 4.748 4.470 -0.001 0.000 0.274 87 S C 0.514 175.119 174.600 0.008 0.000 1.124 87 S CA -0.791 57.415 58.200 0.010 0.000 0.869 87 S CB 1.415 64.622 63.200 0.012 0.000 1.105 87 S HN 0.201 nan 8.310 nan 0.000 0.472 88 D N 1.985 122.388 120.400 0.005 0.000 2.162 88 D HA -0.021 4.619 4.640 -0.001 0.000 0.203 88 D C 1.243 177.544 176.300 0.002 0.000 0.967 88 D CA 1.015 55.017 54.000 0.003 0.000 0.840 88 D CB 0.054 40.855 40.800 0.002 0.000 0.972 88 D HN 0.559 nan 8.370 nan 0.000 0.482 89 E N 1.390 121.590 120.200 -0.000 0.000 2.033 89 E HA -0.144 4.206 4.350 -0.001 0.000 0.199 89 E C 2.322 178.923 176.600 0.002 0.000 1.011 89 E CA 0.535 56.933 56.400 -0.003 0.000 0.815 89 E CB -0.501 29.194 29.700 -0.007 0.000 0.755 89 E HN 0.315 nan 8.360 nan 0.000 0.451 90 I N 0.621 121.198 120.570 0.011 0.000 2.068 90 I HA -0.378 3.792 4.170 -0.001 0.000 0.238 90 I C 2.440 178.561 176.117 0.008 0.000 1.046 90 I CA 1.636 62.947 61.300 0.017 0.000 1.306 90 I CB -0.389 37.626 38.000 0.024 0.000 1.023 90 I HN 0.075 nan 8.210 nan 0.000 0.399 91 R N 0.225 120.730 120.500 0.008 0.000 2.139 91 R HA -0.189 4.150 4.340 -0.001 0.000 0.243 91 R C 2.500 178.803 176.300 0.004 0.000 1.145 91 R CA 1.684 57.788 56.100 0.007 0.000 0.976 91 R CB -0.519 29.786 30.300 0.008 0.000 0.866 91 R HN 0.422 nan 8.270 nan 0.000 0.449 92 S N 1.532 117.233 115.700 0.001 0.000 2.336 92 S HA -0.179 4.290 4.470 -0.001 0.000 0.214 92 S C 1.902 176.498 174.600 -0.007 0.000 1.032 92 S CA 1.682 59.881 58.200 -0.002 0.000 1.001 92 S CB -0.049 63.148 63.200 -0.005 0.000 0.953 92 S HN 0.421 nan 8.310 nan 0.000 0.430 93 K N 0.686 121.076 120.400 -0.017 0.000 2.152 93 K HA -0.089 4.231 4.320 -0.001 0.000 0.206 93 K C 2.162 178.745 176.600 -0.029 0.000 1.048 93 K CA 1.684 57.950 56.287 -0.035 0.000 0.933 93 K CB -0.627 31.840 32.500 -0.055 0.000 0.721 93 K HN 0.448 nan 8.250 nan 0.000 0.447 94 I N 2.310 122.871 120.570 -0.014 0.000 2.113 94 I HA -0.263 3.907 4.170 -0.001 0.000 0.238 94 I C 1.816 177.938 176.117 0.008 0.000 1.070 94 I CA 1.583 62.881 61.300 -0.005 0.000 1.332 94 I CB -0.435 37.566 38.000 0.002 0.000 1.044 94 I HN 0.174 nan 8.210 nan 0.000 0.402 95 D N 1.056 121.463 120.400 0.011 0.000 2.149 95 D HA -0.182 4.458 4.640 -0.001 0.000 0.198 95 D C 2.161 178.479 176.300 0.030 0.000 0.990 95 D CA 1.286 55.297 54.000 0.019 0.000 0.839 95 D CB -0.192 40.617 40.800 0.016 0.000 0.948 95 D HN 0.346 nan 8.370 nan 0.000 0.460 96 K N 0.474 120.887 120.400 0.023 0.000 2.057 96 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 96 K C 2.314 178.954 176.600 0.068 0.000 1.050 96 K CA 1.327 57.636 56.287 0.037 0.000 0.935 96 K CB -0.159 32.344 32.500 0.006 0.000 0.715 96 K HN 0.144 nan 8.250 nan 0.000 0.439 97 S N 1.048 116.771 115.700 0.039 0.000 2.370 97 S HA -0.131 4.338 4.470 -0.001 0.000 0.226 97 S C 2.216 176.895 174.600 0.132 0.000 1.033 97 S CA 1.350 59.593 58.200 0.070 0.000 1.011 97 S CB -0.786 62.429 63.200 0.025 0.000 0.852 97 S HN 0.029 nan 8.310 nan 0.000 0.457 98 V N 2.673 122.637 119.914 0.084 0.000 2.261 98 V HA -0.174 3.945 4.120 -0.001 0.000 0.246 98 V C 2.846 178.989 176.094 0.081 0.000 1.047 98 V CA 2.185 64.529 62.300 0.072 0.000 1.015 98 V CB -1.042 30.807 31.823 0.043 0.000 0.642 98 V HN 0.646 nan 8.190 nan 0.000 0.446 99 E N -0.256 119.993 120.200 0.082 0.000 2.130 99 E HA -0.309 4.040 4.350 -0.001 0.000 0.196 99 E C 2.086 178.748 176.600 0.104 0.000 0.998 99 E CA 1.877 58.322 56.400 0.075 0.000 0.806 99 E CB -0.239 29.504 29.700 0.072 0.000 0.738 99 E HN 0.560 nan 8.360 nan 0.000 0.459 100 F N 0.910 120.860 119.950 0.000 0.000 2.134 100 F HA -0.175 4.352 4.527 -0.001 0.000 0.299 100 F C 2.006 177.808 175.800 0.002 0.000 1.097 100 F CA 1.285 59.286 58.000 0.000 0.000 1.264 100 F CB -0.372 38.628 39.000 -0.000 0.000 1.001 100 F HN 0.124 nan 8.300 nan 0.000 0.479 101 L N 1.151 122.378 121.223 0.007 0.000 2.005 101 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 101 L C 2.471 179.275 176.870 -0.110 0.000 1.072 101 L CA 1.747 56.535 54.840 -0.086 0.000 0.744 101 L CB -0.851 41.228 42.059 0.033 0.000 0.895 101 L HN 0.050 nan 8.230 nan 0.000 0.433 102 R N -0.480 119.992 120.500 -0.047 0.000 2.226 102 R HA -0.121 4.218 4.340 -0.001 0.000 0.246 102 R C 1.424 177.682 176.300 -0.070 0.000 1.161 102 R CA 1.291 57.366 56.100 -0.042 0.000 0.997 102 R CB -0.819 29.473 30.300 -0.013 0.000 0.870 102 R HN 0.612 nan 8.270 nan 0.000 0.465 103 S N -0.099 115.530 115.700 -0.118 0.000 2.561 103 S HA 0.141 4.610 4.470 -0.001 0.000 0.245 103 S C -0.310 174.167 174.600 -0.206 0.000 1.001 103 S CA -0.790 57.331 58.200 -0.131 0.000 1.002 103 S CB 0.134 63.269 63.200 -0.108 0.000 0.805 103 S HN 0.265 nan 8.310 nan 0.000 0.458 125 E N 1.108 121.306 120.200 -0.004 0.000 2.343 125 E HA 0.248 4.597 4.350 -0.001 0.000 0.223 125 E C 1.188 177.787 176.600 -0.002 0.000 0.977 125 E CA 0.998 57.396 56.400 -0.003 0.000 1.027 125 E CB -0.451 29.247 29.700 -0.003 0.000 1.769 125 E HN 0.453 nan 8.360 nan 0.000 0.531 126 D N 1.693 122.092 120.400 -0.001 0.000 2.362 126 D HA -0.151 4.489 4.640 -0.001 0.000 0.215 126 D C 1.494 177.795 176.300 0.002 0.000 0.978 126 D CA 1.056 55.057 54.000 0.001 0.000 0.921 126 D CB -0.136 40.665 40.800 0.002 0.000 0.895 126 D HN 0.241 nan 8.370 nan 0.000 0.494 127 A N 0.628 123.449 122.820 0.000 0.000 1.892 127 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 127 A C 2.132 179.717 177.584 0.001 0.000 1.188 127 A CA 1.326 53.364 52.037 0.001 0.000 0.631 127 A CB -0.600 18.399 19.000 -0.001 0.000 0.822 127 A HN 0.315 nan 8.150 nan 0.000 0.447 128 I N -0.952 119.618 120.570 -0.001 0.000 2.406 128 I HA -0.057 4.113 4.170 -0.001 0.000 0.249 128 I C 2.437 178.553 176.117 -0.002 0.000 1.122 128 I CA 1.830 63.129 61.300 -0.002 0.000 1.431 128 I CB -0.457 37.541 38.000 -0.003 0.000 1.087 128 I HN 0.265 nan 8.210 nan 0.000 0.424 129 S N 0.380 116.079 115.700 -0.001 0.000 2.353 129 S HA -0.210 4.259 4.470 -0.001 0.000 0.222 129 S C 2.131 176.732 174.600 0.002 0.000 1.035 129 S CA 1.914 60.114 58.200 0.000 0.000 1.025 129 S CB -0.767 62.434 63.200 0.002 0.000 0.902 129 S HN 0.474 nan 8.310 nan 0.000 0.440 130 L N 1.820 123.046 121.223 0.005 0.000 2.081 130 L HA -0.126 4.213 4.340 -0.001 0.000 0.212 130 L C 2.411 179.283 176.870 0.003 0.000 1.080 130 L CA 1.957 56.803 54.840 0.010 0.000 0.754 130 L CB -0.735 41.332 42.059 0.013 0.000 0.893 130 L HN 0.463 nan 8.230 nan 0.000 0.433 131 Q N -1.254 118.543 119.800 -0.004 0.000 2.472 131 Q HA -0.111 4.228 4.340 -0.001 0.000 0.208 131 Q C 1.574 177.557 176.000 -0.029 0.000 0.958 131 Q CA 0.641 56.434 55.803 -0.017 0.000 0.932 131 Q CB 0.077 28.808 28.738 -0.012 0.000 1.007 131 Q HN 0.511 nan 8.270 nan 0.000 0.508 132 K N -0.567 119.822 120.400 -0.018 0.000 2.367 132 K HA 0.170 4.490 4.320 -0.001 0.000 0.194 132 K C 1.386 177.972 176.600 -0.024 0.000 1.027 132 K CA 0.430 56.707 56.287 -0.017 0.000 1.075 132 K CB 0.586 33.083 32.500 -0.006 0.000 0.845 132 K HN 0.054 nan 8.250 nan 0.000 0.529 133 A N 0.509 123.316 122.820 -0.022 0.000 1.942 133 A HA 0.081 4.400 4.320 -0.001 0.000 0.209 133 A C 1.237 178.782 177.584 -0.066 0.000 1.214 133 A CA 0.345 52.379 52.037 -0.005 0.000 0.686 133 A CB 0.107 19.127 19.000 0.034 0.000 0.871 133 A HN 0.092 nan 8.150 nan 0.000 0.460 134 L N 0.066 121.237 121.223 -0.087 0.000 2.777 134 L HA 0.239 4.578 4.340 -0.001 0.000 0.244 134 L C 1.016 177.689 176.870 -0.329 0.000 1.235 134 L CA 0.621 55.346 54.840 -0.192 0.000 1.062 134 L CB 0.315 42.356 42.059 -0.029 0.000 1.340 134 L HN 0.446 nan 8.230 nan 0.000 0.439 135 L N -2.851 118.174 121.223 -0.330 0.000 3.316 135 L HA 0.196 4.536 4.340 -0.001 0.000 0.300 135 L C 1.780 178.488 176.870 -0.270 0.000 1.128 135 L CA 0.729 55.408 54.840 -0.268 0.000 1.111 135 L CB -0.002 41.970 42.059 -0.144 0.000 1.687 135 L HN 0.204 nan 8.230 nan 0.000 0.594 136 E N -0.252 119.815 120.200 -0.223 0.000 2.016 136 E HA -0.265 4.085 4.350 -0.001 0.000 0.190 136 E C 1.831 178.371 176.600 -0.099 0.000 0.985 136 E CA 1.543 57.874 56.400 -0.114 0.000 0.802 136 E CB -0.088 29.596 29.700 -0.027 0.000 0.762 136 E HN 0.786 nan 8.360 nan 0.000 0.448 137 H N -0.403 118.655 119.070 -0.019 0.000 2.521 137 H HA 0.048 4.604 4.556 -0.001 0.000 0.286 137 H C 1.682 177.005 175.328 -0.009 0.000 1.034 137 H CA 1.008 57.049 56.048 -0.011 0.000 1.278 137 H CB -0.088 29.669 29.762 -0.008 0.000 1.386 137 H HN 0.097 nan 8.280 nan 0.000 0.567 138 Q N 0.436 120.129 119.800 -0.178 0.000 2.331 138 Q HA 0.167 4.506 4.340 -0.001 0.000 0.203 138 Q C 0.718 176.735 176.000 0.029 0.000 0.944 138 Q CA 0.321 56.117 55.803 -0.012 0.000 0.892 138 Q CB 0.365 29.021 28.738 -0.136 0.000 0.983 138 Q HN 0.535 nan 8.270 nan 0.000 0.482 139 L N 1.629 122.779 121.223 -0.121 0.000 2.583 139 L HA 0.091 4.430 4.340 -0.001 0.000 0.239 139 L C 0.734 177.630 176.870 0.042 0.000 1.347 139 L CA -0.386 54.300 54.840 -0.257 0.000 1.246 139 L CB -0.202 41.511 42.059 -0.578 0.000 1.496 139 L HN 0.172 nan 8.230 nan 0.000 0.413 140 C N -3.141 116.274 119.300 0.192 0.000 3.243 140 C HA 0.480 4.940 4.460 -0.001 0.000 0.286 140 C C 1.325 176.399 174.990 0.140 0.000 1.373 140 C CA -0.673 58.430 59.018 0.143 0.000 1.749 140 C CB -1.215 26.589 27.740 0.107 0.000 2.313 140 C HN 0.520 nan 8.230 nan 0.000 0.644 141 G N 0.767 109.684 108.800 0.196 0.000 2.616 141 G HA2 0.443 4.403 3.960 -0.001 0.000 0.268 141 G HA3 0.443 4.403 3.960 -0.001 0.000 0.268 141 G C -0.460 174.452 174.900 0.019 0.000 1.213 141 G CA 0.228 45.341 45.100 0.021 0.000 0.926 141 G HN 0.828 nan 8.290 nan 0.000 0.523 142 V N 0.266 120.156 119.914 -0.040 0.000 2.547 142 V HA 0.839 4.959 4.120 -0.001 0.000 0.299 142 V C -0.934 175.123 176.094 -0.061 0.000 1.040 142 V CA -0.665 61.618 62.300 -0.030 0.000 0.913 142 V CB 1.369 33.174 31.823 -0.029 0.000 0.992 142 V HN 0.637 nan 8.190 nan 0.000 0.449 143 L N 6.126 127.324 121.223 -0.042 0.000 2.622 143 L HA 0.682 5.022 4.340 -0.001 0.000 0.258 143 L C -2.537 174.302 176.870 -0.050 0.000 0.996 143 L CA -1.391 53.414 54.840 -0.059 0.000 0.858 143 L CB 2.508 44.539 42.059 -0.047 0.000 1.449 143 L HN 0.664 nan 8.230 nan 0.000 0.411 144 P HA 0.078 nan 4.420 nan 0.000 0.260 144 P C 0.490 177.756 177.300 -0.057 0.000 1.185 144 P CA 0.216 63.285 63.100 -0.051 0.000 0.763 144 P CB 0.509 32.193 31.700 -0.027 0.000 0.776 145 S N 2.177 117.858 115.700 -0.032 0.000 2.419 145 S HA -0.057 4.413 4.470 -0.001 0.000 0.233 145 S C 0.979 175.552 174.600 -0.045 0.000 1.016 145 S CA 0.834 59.021 58.200 -0.021 0.000 0.974 145 S CB -0.452 62.754 63.200 0.009 0.000 0.786 145 S HN 0.721 nan 8.310 nan 0.000 0.492 146 S N -1.095 114.569 115.700 -0.060 0.000 2.794 146 S HA 0.689 5.158 4.470 -0.001 0.000 0.299 146 S C -0.333 174.167 174.600 -0.167 0.000 1.179 146 S CA -0.873 57.284 58.200 -0.071 0.000 0.838 146 S CB 0.137 63.374 63.200 0.061 0.000 1.206 146 S HN 0.069 nan 8.310 nan 0.000 0.523 147 F N 0.867 120.826 119.950 0.016 0.000 2.727 147 F HA 0.286 4.813 4.527 -0.001 0.000 0.302 147 F C 1.402 177.238 175.800 0.060 0.000 1.097 147 F CA -0.262 57.655 58.000 -0.139 0.000 1.330 147 F CB 0.125 38.905 39.000 -0.368 0.000 1.084 147 F HN 0.498 nan 8.300 nan 0.000 0.578 148 D N -0.341 120.188 120.400 0.216 0.000 2.348 148 D HA -0.106 4.534 4.640 -0.001 0.000 0.216 148 D C 2.219 178.628 176.300 0.181 0.000 0.970 148 D CA 1.269 55.370 54.000 0.168 0.000 0.889 148 D CB -0.118 40.751 40.800 0.115 0.000 0.912 148 D HN 0.328 nan 8.370 nan 0.000 0.524 149 S N 0.018 115.859 115.700 0.235 0.000 2.388 149 S HA -0.071 4.398 4.470 -0.001 0.000 0.223 149 S C 0.888 175.618 174.600 0.216 0.000 1.034 149 S CA -0.274 58.031 58.200 0.175 0.000 0.963 149 S CB -0.596 62.667 63.200 0.106 0.000 0.827 149 S HN -0.068 nan 8.310 nan 0.000 0.481 150 F N 3.215 123.192 119.950 0.045 0.000 2.637 150 F HA 0.289 4.815 4.527 -0.001 0.000 0.372 150 F C 1.517 177.353 175.800 0.060 0.000 1.107 150 F CA 0.317 58.356 58.000 0.066 0.000 1.325 150 F CB 0.206 39.286 39.000 0.133 0.000 1.016 150 F HN 0.152 nan 8.300 nan 0.000 0.593 151 R N 1.006 121.616 120.500 0.183 0.000 2.906 151 R HA 0.442 4.782 4.340 -0.001 0.000 0.258 151 R C -1.521 174.843 176.300 0.107 0.000 1.156 151 R CA -1.508 54.663 56.100 0.120 0.000 0.996 151 R CB 0.875 31.211 30.300 0.061 0.000 1.259 151 R HN 0.441 nan 8.270 nan 0.000 0.462 152 L N 1.636 122.905 121.223 0.077 0.000 2.562 152 L HA 0.187 4.527 4.340 -0.001 0.000 0.271 152 L C 1.032 177.933 176.870 0.051 0.000 1.167 152 L CA 1.755 56.635 54.840 0.067 0.000 0.917 152 L CB 0.074 42.163 42.059 0.051 0.000 1.187 152 L HN 0.930 nan 8.230 nan 0.000 0.482 153 G N 3.400 112.234 108.800 0.058 0.000 2.203 153 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.263 153 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.263 153 G C 0.351 175.260 174.900 0.014 0.000 1.012 153 G CA 0.474 45.598 45.100 0.040 0.000 0.749 153 G HN 0.606 nan 8.290 nan 0.000 0.512 154 R N -2.051 118.452 120.500 0.004 0.000 2.764 154 R HA 0.744 5.083 4.340 -0.001 0.000 0.270 154 R C 0.825 177.028 176.300 -0.162 0.000 1.014 154 R CA 0.060 56.123 56.100 -0.062 0.000 0.904 154 R CB 1.201 31.471 30.300 -0.051 0.000 1.236 154 R HN 1.110 nan 8.270 nan 0.000 0.466 155 G N -0.271 108.327 108.800 -0.337 0.000 3.134 155 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.195 155 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.195 155 G C 0.140 174.521 174.900 -0.865 0.000 1.054 155 G CA -0.328 44.258 45.100 -0.858 0.000 0.828 155 G HN 0.341 nan 8.290 nan 0.000 0.462 156 L N 1.344 122.300 121.223 -0.445 0.000 3.017 156 L HA 0.387 4.727 4.340 -0.001 0.000 0.255 156 L C 1.730 178.502 176.870 -0.163 0.000 1.247 156 L CA -0.072 54.614 54.840 -0.258 0.000 1.038 156 L CB 0.696 42.696 42.059 -0.099 0.000 1.380 156 L HN 0.167 nan 8.230 nan 0.000 0.548 157 E N 0.539 120.639 120.200 -0.166 0.000 2.160 157 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 157 E C 1.047 177.586 176.600 -0.102 0.000 0.991 157 E CA 1.262 57.595 56.400 -0.112 0.000 0.810 157 E CB -0.101 29.538 29.700 -0.101 0.000 0.742 157 E HN 0.504 nan 8.360 nan 0.000 0.466 158 N N 0.149 118.778 118.700 -0.119 0.000 2.362 158 N HA 0.024 4.763 4.740 -0.001 0.000 0.204 158 N C -0.699 174.743 175.510 -0.112 0.000 1.166 158 N CA -0.162 52.825 53.050 -0.106 0.000 0.831 158 N CB 0.427 38.852 38.487 -0.104 0.000 1.008 158 N HN 0.027 nan 8.380 nan 0.000 0.472 159 S N -0.166 115.470 115.700 -0.105 0.000 2.568 159 S HA 0.422 4.891 4.470 -0.001 0.000 0.302 159 S C -0.507 174.039 174.600 -0.090 0.000 1.082 159 S CA -0.969 57.171 58.200 -0.101 0.000 1.009 159 S CB 1.914 65.070 63.200 -0.073 0.000 1.069 159 S HN -0.068 nan 8.310 nan 0.000 0.500 160 L N 2.474 123.641 121.223 -0.093 0.000 2.416 160 L HA 0.448 4.787 4.340 -0.001 0.000 0.272 160 L C -2.269 174.561 176.870 -0.067 0.000 1.161 160 L CA -1.537 53.257 54.840 -0.077 0.000 0.845 160 L CB -0.375 41.637 42.059 -0.078 0.000 1.119 160 L HN 0.561 nan 8.230 nan 0.000 0.464 161 P HA -0.022 nan 4.420 nan 0.000 0.266 161 P C 0.921 178.179 177.300 -0.070 0.000 1.186 161 P CA 0.095 63.158 63.100 -0.061 0.000 0.767 161 P CB 0.480 32.151 31.700 -0.048 0.000 0.820 162 L N 2.241 123.407 121.223 -0.096 0.000 1.970 162 L HA -0.255 4.085 4.340 -0.001 0.000 0.212 162 L C 2.417 179.247 176.870 -0.068 0.000 1.071 162 L CA 2.030 56.802 54.840 -0.113 0.000 0.751 162 L CB -0.981 40.970 42.059 -0.180 0.000 0.889 162 L HN 0.545 nan 8.230 nan 0.000 0.432 163 E N -0.073 120.091 120.200 -0.060 0.000 2.130 163 E HA -0.216 4.133 4.350 -0.001 0.000 0.196 163 E C 2.046 178.622 176.600 -0.039 0.000 0.998 163 E CA 1.721 58.093 56.400 -0.047 0.000 0.806 163 E CB -0.608 29.061 29.700 -0.051 0.000 0.738 163 E HN 0.303 nan 8.360 nan 0.000 0.459 164 V N 1.482 121.372 119.914 -0.039 0.000 2.343 164 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 164 V C 2.499 178.579 176.094 -0.022 0.000 1.051 164 V CA 1.646 63.927 62.300 -0.032 0.000 1.036 164 V CB -0.243 31.559 31.823 -0.034 0.000 0.654 164 V HN 0.242 nan 8.190 nan 0.000 0.451 165 V N -0.175 119.727 119.914 -0.020 0.000 2.343 165 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 165 V C 2.534 178.636 176.094 0.014 0.000 1.051 165 V CA 1.973 64.274 62.300 0.001 0.000 1.036 165 V CB -0.859 30.970 31.823 0.009 0.000 0.654 165 V HN 0.451 nan 8.190 nan 0.000 0.451 166 R N 0.302 120.805 120.500 0.005 0.000 2.081 166 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 166 R C 2.511 178.812 176.300 0.003 0.000 1.131 166 R CA 1.461 57.569 56.100 0.012 0.000 0.960 166 R CB -0.787 29.513 30.300 -0.000 0.000 0.856 166 R HN 0.596 nan 8.270 nan 0.000 0.436 167 G N 1.103 109.897 108.800 -0.011 0.000 2.402 167 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.216 167 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.216 167 G C 0.712 175.606 174.900 -0.010 0.000 1.162 167 G CA 0.629 45.719 45.100 -0.016 0.000 0.777 167 G HN 0.444 nan 8.290 nan 0.000 0.539 171 I N 1.400 121.963 120.570 -0.011 0.000 2.315 171 I HA -0.105 4.065 4.170 -0.001 0.000 0.248 171 I C 2.815 178.923 176.117 -0.016 0.000 1.117 171 I CA 1.045 62.334 61.300 -0.018 0.000 1.404 171 I CB -0.153 37.836 38.000 -0.019 0.000 1.071 171 I HN 0.096 nan 8.210 nan 0.000 0.419 172 R N 0.644 121.138 120.500 -0.009 0.000 2.094 172 R HA -0.164 4.175 4.340 -0.001 0.000 0.239 172 R C 2.294 178.589 176.300 -0.009 0.000 1.137 172 R CA 1.599 57.695 56.100 -0.007 0.000 0.943 172 R CB -0.891 29.407 30.300 -0.005 0.000 0.850 172 R HN 0.226 nan 8.270 nan 0.000 0.433 173 V N 1.432 121.340 119.914 -0.010 0.000 2.255 173 V HA -0.304 3.815 4.120 -0.001 0.000 0.247 173 V C 2.214 178.300 176.094 -0.013 0.000 1.051 173 V CA 2.223 64.517 62.300 -0.009 0.000 1.018 173 V CB -0.818 31.002 31.823 -0.005 0.000 0.641 173 V HN 0.432 nan 8.190 nan 0.000 0.445 174 N N 0.869 119.558 118.700 -0.019 0.000 2.036 174 N HA -0.241 4.498 4.740 -0.001 0.000 0.195 174 N C 1.974 177.452 175.510 -0.053 0.000 1.037 174 N CA 2.213 55.244 53.050 -0.032 0.000 0.855 174 N CB -0.309 38.156 38.487 -0.037 0.000 1.033 174 N HN 0.584 nan 8.380 nan 0.000 0.423 175 S N -0.205 115.465 115.700 -0.050 0.000 2.399 175 S HA -0.095 4.374 4.470 -0.001 0.000 0.231 175 S C 2.015 176.603 174.600 -0.020 0.000 1.022 175 S CA 0.851 59.019 58.200 -0.052 0.000 0.983 175 S CB -0.670 62.510 63.200 -0.034 0.000 0.803 175 S HN 0.385 nan 8.310 nan 0.000 0.480 176 L N 1.963 123.180 121.223 -0.010 0.000 2.217 176 L HA -0.037 4.302 4.340 -0.001 0.000 0.211 176 L C 3.048 179.916 176.870 -0.003 0.000 1.107 176 L CA 1.444 56.286 54.840 0.003 0.000 0.783 176 L CB -1.142 40.918 42.059 0.002 0.000 0.919 176 L HN 0.600 nan 8.230 nan 0.000 0.442 177 T N -3.085 111.463 114.554 -0.011 0.000 3.051 177 T HA -0.147 4.202 4.350 -0.001 0.000 0.269 177 T C 1.757 176.454 174.700 -0.006 0.000 1.127 177 T CA 0.543 62.641 62.100 -0.004 0.000 1.107 177 T CB -0.297 68.576 68.868 0.007 0.000 0.898 177 T HN 0.317 nan 8.240 nan 0.000 0.517 178 R N 0.862 121.345 120.500 -0.027 0.000 2.339 178 R HA 0.236 4.575 4.340 -0.001 0.000 0.199 178 R C 1.967 178.148 176.300 -0.199 0.000 1.018 178 R CA 0.374 56.448 56.100 -0.043 0.000 1.036 178 R CB -0.502 29.819 30.300 0.034 0.000 0.899 178 R HN 0.575 nan 8.270 nan 0.000 0.473 179 G N 1.019 109.746 108.800 -0.121 0.000 2.187 179 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.261 179 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.261 179 G C 0.461 175.244 174.900 -0.196 0.000 1.000 179 G CA 0.646 45.658 45.100 -0.148 0.000 0.718 179 G HN 0.491 nan 8.290 nan 0.000 0.519 180 H N -0.045 119.028 119.070 0.005 0.000 2.582 180 H HA 0.089 4.644 4.556 -0.001 0.000 0.269 180 H C 2.695 178.033 175.328 0.017 0.000 0.962 180 H CA 1.364 57.414 56.048 0.004 0.000 1.230 180 H CB 0.124 29.885 29.762 -0.003 0.000 1.445 180 H HN 0.647 nan 8.280 nan 0.000 0.528 181 S N 0.867 116.640 115.700 0.123 0.000 2.348 181 S HA 0.150 4.620 4.470 -0.001 0.000 0.219 181 S C 1.455 176.099 174.600 0.074 0.000 1.033 181 S CA 0.616 58.868 58.200 0.087 0.000 0.974 181 S CB 0.008 63.245 63.200 0.061 0.000 0.868 181 S HN 0.464 nan 8.310 nan 0.000 0.459 182 A N -0.145 122.711 122.820 0.060 0.000 3.201 182 A HA 0.058 4.378 4.320 -0.001 0.000 0.268 182 A C -0.044 177.569 177.584 0.048 0.000 1.372 182 A CA 0.389 52.464 52.037 0.064 0.000 0.753 182 A CB -2.155 16.904 19.000 0.098 0.000 1.029 182 A HN 1.416 nan 8.150 nan 0.000 0.498 183 V N 0.638 120.572 119.914 0.033 0.000 2.656 183 V HA 0.745 4.864 4.120 -0.001 0.000 0.307 183 V C 0.675 176.779 176.094 0.016 0.000 1.051 183 V CA -0.925 61.389 62.300 0.022 0.000 0.893 183 V CB 1.479 33.312 31.823 0.016 0.000 0.999 183 V HN 0.727 nan 8.190 nan 0.000 0.426 184 R N 4.446 124.953 120.500 0.013 0.000 2.698 184 R HA 0.088 4.428 4.340 -0.001 0.000 0.266 184 R C 1.257 177.561 176.300 0.007 0.000 1.026 184 R CA -0.081 56.025 56.100 0.011 0.000 1.102 184 R CB 0.263 30.568 30.300 0.009 0.000 0.978 184 R HN 0.748 nan 8.270 nan 0.000 0.436 185 L N 3.994 125.222 121.223 0.009 0.000 2.131 185 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 185 L C 1.836 178.710 176.870 0.007 0.000 1.092 185 L CA 1.770 56.615 54.840 0.008 0.000 0.759 185 L CB -0.458 41.607 42.059 0.010 0.000 0.903 185 L HN 0.647 nan 8.230 nan 0.000 0.435 186 V N -0.505 119.414 119.914 0.008 0.000 2.490 186 V HA -0.216 3.904 4.120 -0.001 0.000 0.250 186 V C 2.550 178.644 176.094 -0.001 0.000 1.061 186 V CA 1.732 64.037 62.300 0.008 0.000 1.064 186 V CB -0.052 31.777 31.823 0.010 0.000 0.670 186 V HN 0.308 nan 8.190 nan 0.000 0.461 187 V N -0.069 119.841 119.914 -0.007 0.000 2.307 187 V HA -0.184 3.936 4.120 -0.001 0.000 0.245 187 V C 2.439 178.516 176.094 -0.027 0.000 1.045 187 V CA 2.021 64.307 62.300 -0.022 0.000 1.024 187 V CB -0.608 31.203 31.823 -0.020 0.000 0.651 187 V HN 0.493 nan 8.190 nan 0.000 0.449 188 L N -0.060 121.154 121.223 -0.014 0.000 2.127 188 L HA -0.172 4.168 4.340 -0.001 0.000 0.211 188 L C 2.361 179.227 176.870 -0.008 0.000 1.089 188 L CA 1.751 56.584 54.840 -0.012 0.000 0.757 188 L CB -0.935 41.123 42.059 -0.003 0.000 0.899 188 L HN 0.391 nan 8.230 nan 0.000 0.434 189 E N -0.738 119.462 120.200 0.000 0.000 2.208 189 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 189 E C 2.302 178.913 176.600 0.018 0.000 0.988 189 E CA 0.766 57.174 56.400 0.013 0.000 0.828 189 E CB -0.134 29.578 29.700 0.022 0.000 0.763 189 E HN 0.510 nan 8.360 nan 0.000 0.478 190 A N 1.234 124.047 122.820 -0.011 0.000 1.883 190 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 190 A C 2.155 179.692 177.584 -0.077 0.000 1.186 190 A CA 1.133 53.142 52.037 -0.046 0.000 0.624 190 A CB -0.574 18.360 19.000 -0.110 0.000 0.822 190 A HN 0.136 nan 8.150 nan 0.000 0.444 191 L N -0.213 120.962 121.223 -0.079 0.000 2.056 191 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 191 L C 3.064 179.968 176.870 0.057 0.000 1.078 191 L CA 1.781 56.593 54.840 -0.046 0.000 0.749 191 L CB -0.934 41.098 42.059 -0.043 0.000 0.901 191 L HN 0.650 nan 8.230 nan 0.000 0.433 192 T N -2.901 111.675 114.554 0.036 0.000 2.684 192 T HA -0.218 4.131 4.350 -0.001 0.000 0.267 192 T C 1.558 176.286 174.700 0.046 0.000 1.036 192 T CA 1.860 63.980 62.100 0.033 0.000 1.148 192 T CB -0.877 67.999 68.868 0.014 0.000 0.863 192 T HN 0.378 nan 8.240 nan 0.000 0.436 193 N N 0.515 119.262 118.700 0.078 0.000 2.036 193 N HA -0.082 4.657 4.740 -0.001 0.000 0.195 193 N C 1.624 177.233 175.510 0.166 0.000 1.037 193 N CA 1.374 54.485 53.050 0.100 0.000 0.855 193 N CB -0.396 38.217 38.487 0.211 0.000 1.033 193 N HN 0.161 nan 8.380 nan 0.000 0.423 194 F N 1.638 121.588 119.950 0.000 0.000 2.087 194 F HA -0.169 4.357 4.527 -0.001 0.000 0.299 194 F C 2.142 177.915 175.800 -0.045 0.000 1.100 194 F CA 1.168 59.157 58.000 -0.017 0.000 1.226 194 F CB -0.636 38.362 39.000 -0.003 0.000 0.983 194 F HN 0.026 nan 8.300 nan 0.000 0.479 195 L N -0.483 120.826 121.223 0.144 0.000 2.046 195 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 195 L C 2.230 179.080 176.870 -0.033 0.000 1.077 195 L CA 1.268 56.134 54.840 0.043 0.000 0.747 195 L CB -0.680 41.402 42.059 0.039 0.000 0.896 195 L HN 0.135 nan 8.230 nan 0.000 0.432 196 N N -1.004 117.647 118.700 -0.083 0.000 2.289 196 N HA -0.163 4.576 4.740 -0.001 0.000 0.184 196 N C 1.407 176.771 175.510 -0.244 0.000 1.016 196 N CA 1.095 54.038 53.050 -0.178 0.000 0.872 196 N CB -0.218 38.112 38.487 -0.262 0.000 0.973 196 N HN 0.423 nan 8.380 nan 0.000 0.433 197 H N -0.424 118.555 119.070 -0.151 0.000 2.517 197 H HA 0.210 4.766 4.556 -0.001 0.000 0.282 197 H C 0.963 176.040 175.328 -0.420 0.000 1.023 197 H CA 0.379 56.217 56.048 -0.350 0.000 1.169 197 H CB 0.078 29.404 29.762 -0.727 0.000 1.454 197 H HN 0.237 nan 8.280 nan 0.000 0.556 198 G N 1.627 110.345 108.800 -0.138 0.000 2.198 198 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.260 198 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.260 198 G C 0.239 175.034 174.900 -0.174 0.000 1.025 198 G CA 0.095 45.135 45.100 -0.100 0.000 0.769 198 G HN 0.406 nan 8.290 nan 0.000 0.507 199 I N 1.991 122.364 120.570 -0.328 0.000 2.282 199 I HA 0.326 4.496 4.170 -0.001 0.000 0.290 199 I C 0.733 176.683 176.117 -0.279 0.000 1.090 199 I CA 0.106 61.081 61.300 -0.543 0.000 1.231 199 I CB 1.208 38.407 38.000 -1.334 0.000 1.434 199 I HN 0.182 nan 8.210 nan 0.000 0.487 200 T N 7.004 121.541 114.554 -0.028 0.000 2.788 200 T HA 0.432 4.781 4.350 -0.001 0.000 0.296 200 T C -2.419 172.369 174.700 0.146 0.000 1.009 200 T CA -2.263 59.896 62.100 0.098 0.000 0.949 200 T CB 1.354 70.257 68.868 0.059 0.000 0.946 200 T HN 0.223 nan 8.240 nan 0.000 0.453 201 P HA 0.178 nan 4.420 nan 0.000 0.269 201 P C -0.252 177.129 177.300 0.135 0.000 1.215 201 P CA -0.522 62.704 63.100 0.210 0.000 0.780 201 P CB 0.608 32.460 31.700 0.253 0.000 0.898 202 I N 2.697 123.346 120.570 0.132 0.000 2.371 202 I HA 0.179 4.349 4.170 -0.001 0.000 0.290 202 I C 0.660 176.805 176.117 0.046 0.000 1.028 202 I CA -0.421 60.926 61.300 0.080 0.000 1.345 202 I CB 0.819 38.875 38.000 0.093 0.000 1.407 202 I HN 0.164 nan 8.210 nan 0.000 0.501 203 V N 5.920 125.800 119.914 -0.056 0.000 2.789 203 V HA 0.653 4.773 4.120 -0.001 0.000 0.311 203 V C -2.660 173.250 176.094 -0.306 0.000 1.073 203 V CA -2.243 59.917 62.300 -0.232 0.000 0.921 203 V CB 1.919 33.651 31.823 -0.152 0.000 1.009 203 V HN 0.507 nan 8.190 nan 0.000 0.426 204 P HA 0.056 nan 4.420 nan 0.000 0.265 204 P C 0.647 177.811 177.300 -0.225 0.000 1.193 204 P CA -0.054 62.845 63.100 -0.334 0.000 0.765 204 P CB 1.445 32.907 31.700 -0.396 0.000 0.823 205 L N 3.770 124.902 121.223 -0.152 0.000 2.046 205 L HA -0.075 4.264 4.340 -0.001 0.000 0.208 205 L C 1.273 178.087 176.870 -0.094 0.000 1.077 205 L CA 1.892 56.667 54.840 -0.108 0.000 0.747 205 L CB -0.404 41.603 42.059 -0.087 0.000 0.896 205 L HN 0.372 nan 8.230 nan 0.000 0.432 206 R N -2.530 117.915 120.500 -0.093 0.000 2.828 206 R HA 0.583 4.923 4.340 -0.001 0.000 0.264 206 R C 0.403 176.661 176.300 -0.069 0.000 1.022 206 R CA 0.029 56.088 56.100 -0.069 0.000 1.021 206 R CB 1.315 31.583 30.300 -0.053 0.000 1.163 206 R HN 0.170 nan 8.270 nan 0.000 0.494 207 G N -0.163 108.612 108.800 -0.043 0.000 3.006 207 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.195 207 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.195 207 G C 0.068 174.962 174.900 -0.011 0.000 1.034 207 G CA -0.037 45.048 45.100 -0.026 0.000 0.807 207 G HN 0.601 nan 8.290 nan 0.000 0.469 208 T N 1.103 115.648 114.554 -0.015 0.000 2.922 208 T HA 0.589 4.939 4.350 -0.001 0.000 0.285 208 T C 1.478 176.179 174.700 0.001 0.000 1.005 208 T CA 0.011 62.109 62.100 -0.003 0.000 1.061 208 T CB 0.808 69.674 68.868 -0.003 0.000 1.007 208 T HN 0.887 nan 8.240 nan 0.000 0.502 209 I N 0.729 121.303 120.570 0.007 0.000 3.927 209 I HA 0.393 4.563 4.170 -0.001 0.000 0.332 209 I C 0.490 176.622 176.117 0.025 0.000 1.485 209 I CA -0.736 60.572 61.300 0.015 0.000 1.131 209 I CB -0.479 37.531 38.000 0.015 0.000 1.092 209 I HN 0.552 nan 8.210 nan 0.000 0.410 215 L N 0.918 122.145 121.223 0.006 0.000 1.978 215 L HA -0.203 4.137 4.340 -0.001 0.000 0.218 215 L C 2.435 179.332 176.870 0.044 0.000 1.075 215 L CA 2.273 57.120 54.840 0.012 0.000 0.767 215 L CB -0.743 41.319 42.059 0.007 0.000 0.890 215 L HN 0.243 nan 8.230 nan 0.000 0.434 216 S N -0.949 114.790 115.700 0.064 0.000 2.343 216 S HA -0.088 4.382 4.470 -0.001 0.000 0.219 216 S C -0.224 174.478 174.600 0.170 0.000 1.033 216 S CA 1.594 59.870 58.200 0.127 0.000 1.014 216 S CB -1.128 62.138 63.200 0.109 0.000 0.915 216 S HN 0.271 nan 8.310 nan 0.000 0.435 217 P HA -0.088 nan 4.420 nan 0.000 0.216 217 P C 1.428 178.780 177.300 0.087 0.000 1.153 217 P CA 1.155 64.266 63.100 0.018 0.000 0.858 217 P CB -0.139 31.549 31.700 -0.021 0.000 0.789 218 L N -1.299 119.964 121.223 0.066 0.000 2.056 218 L HA -0.152 4.187 4.340 -0.001 0.000 0.207 218 L C 2.423 179.328 176.870 0.059 0.000 1.078 218 L CA 1.455 56.325 54.840 0.051 0.000 0.749 218 L CB -1.096 40.979 42.059 0.026 0.000 0.901 218 L HN -0.016 nan 8.230 nan 0.000 0.433 219 S N -0.915 114.825 115.700 0.066 0.000 2.374 219 S HA -0.229 4.241 4.470 -0.001 0.000 0.227 219 S C 1.815 176.399 174.600 -0.028 0.000 1.037 219 S CA 1.462 59.659 58.200 -0.005 0.000 1.024 219 S CB -0.436 62.736 63.200 -0.046 0.000 0.861 219 S HN 0.344 nan 8.310 nan 0.000 0.456 220 Y N 0.935 121.197 120.300 -0.064 0.000 2.574 220 Y HA 0.094 4.644 4.550 -0.001 0.000 0.294 220 Y C 1.818 177.699 175.900 -0.033 0.000 1.142 220 Y CA 0.250 58.314 58.100 -0.060 0.000 1.314 220 Y CB -0.410 38.022 38.460 -0.046 0.000 0.991 220 Y HN 0.278 nan 8.280 nan 0.000 0.555 221 I N -1.668 118.963 120.570 0.101 0.000 2.731 221 I HA -0.101 4.068 4.170 -0.001 0.000 0.260 221 I C 2.415 178.509 176.117 -0.038 0.000 1.138 221 I CA 0.722 62.048 61.300 0.043 0.000 1.461 221 I CB -0.315 37.705 38.000 0.032 0.000 1.128 221 I HN 0.112 nan 8.210 nan 0.000 0.438 222 A N 1.056 123.850 122.820 -0.043 0.000 1.855 222 A HA -0.097 4.222 4.320 -0.001 0.000 0.215 222 A C 2.490 180.031 177.584 -0.072 0.000 1.191 222 A CA 1.653 53.648 52.037 -0.070 0.000 0.613 222 A CB -0.895 18.071 19.000 -0.058 0.000 0.829 222 A HN 0.364 nan 8.150 nan 0.000 0.442 223 A N -0.432 122.342 122.820 -0.077 0.000 2.131 223 A HA 0.168 4.487 4.320 -0.001 0.000 0.220 223 A C 2.280 179.871 177.584 0.012 0.000 1.158 223 A CA 1.955 53.960 52.037 -0.054 0.000 0.665 223 A CB -0.697 18.173 19.000 -0.217 0.000 0.795 223 A HN 1.007 nan 8.150 nan 0.000 0.460 224 A N 0.205 123.024 122.820 -0.002 0.000 1.975 224 A HA 0.146 4.465 4.320 -0.001 0.000 0.215 224 A C 1.887 179.459 177.584 -0.021 0.000 1.170 224 A CA 1.146 53.227 52.037 0.073 0.000 0.656 224 A CB -0.454 18.641 19.000 0.160 0.000 0.821 224 A HN 0.897 nan 8.150 nan 0.000 0.449 225 I N -4.331 116.100 120.570 -0.232 0.000 3.956 225 I HA 0.276 4.446 4.170 -0.001 0.000 0.333 225 I C 1.470 177.508 176.117 -0.131 0.000 1.302 225 I CA 0.881 61.965 61.300 -0.360 0.000 1.122 225 I CB 0.556 38.215 38.000 -0.568 0.000 1.013 225 I HN 0.120 nan 8.210 nan 0.000 0.405 226 S N 1.364 117.029 115.700 -0.058 0.000 2.540 226 S HA 0.367 4.836 4.470 -0.001 0.000 0.218 226 S C 1.204 175.821 174.600 0.030 0.000 0.977 226 S CA 0.356 58.547 58.200 -0.015 0.000 0.918 226 S CB -0.588 62.605 63.200 -0.012 0.000 0.806 226 S HN 0.790 nan 8.310 nan 0.000 0.496 227 G N 2.980 111.815 108.800 0.059 0.000 2.402 227 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.241 227 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.241 227 G C -0.505 174.454 174.900 0.099 0.000 0.871 227 G CA 0.326 45.482 45.100 0.093 0.000 1.232 227 G HN 0.678 nan 8.290 nan 0.000 0.369 228 H N 4.721 123.816 119.070 0.042 0.000 2.457 228 H HA 0.446 5.002 4.556 -0.001 0.000 0.335 228 H C -1.081 174.293 175.328 0.076 0.000 1.115 228 H CA -1.573 54.491 56.048 0.027 0.000 1.219 228 H CB 2.322 32.075 29.762 -0.016 0.000 1.471 228 H HN 0.213 nan 8.280 nan 0.000 0.491 229 P HA -0.153 nan 4.420 nan 0.000 0.215 229 P C 0.416 177.899 177.300 0.305 0.000 1.153 229 P CA 1.196 64.305 63.100 0.015 0.000 0.853 229 P CB 0.423 32.046 31.700 -0.127 0.000 0.788 230 D N -0.198 120.480 120.400 0.463 0.000 3.179 230 D HA 0.156 4.796 4.640 -0.001 0.000 0.267 230 D C -0.593 175.875 176.300 0.280 0.000 1.348 230 D CA -0.330 53.920 54.000 0.418 0.000 0.897 230 D CB -0.773 40.231 40.800 0.341 0.000 1.062 230 D HN -0.141 nan 8.370 nan 0.000 0.494 231 S N 1.438 117.300 115.700 0.271 0.000 2.259 231 S HA 0.241 4.711 4.470 -0.001 0.000 0.181 231 S C -0.184 174.451 174.600 0.058 0.000 1.589 231 S CA -0.910 57.342 58.200 0.085 0.000 1.234 231 S CB -0.069 63.194 63.200 0.105 0.000 1.119 231 S HN 0.025 nan 8.310 nan 0.000 0.458 232 K N 1.684 122.051 120.400 -0.055 0.000 2.230 232 K HA 0.422 4.741 4.320 -0.001 0.000 0.253 232 K C 0.585 177.222 176.600 0.061 0.000 1.008 232 K CA -0.281 55.944 56.287 -0.104 0.000 0.910 232 K CB 0.567 32.977 32.500 -0.151 0.000 0.994 232 K HN 0.596 nan 8.250 nan 0.000 0.495 233 V N -2.603 117.359 119.914 0.081 0.000 3.202 233 V HA 0.442 4.561 4.120 -0.001 0.000 0.306 233 V C -0.908 175.270 176.094 0.139 0.000 1.283 233 V CA -1.032 61.346 62.300 0.131 0.000 1.065 233 V CB 2.210 34.109 31.823 0.127 0.000 1.079 233 V HN 0.927 nan 8.190 nan 0.000 0.448 234 H N 0.231 119.315 119.070 0.023 0.000 2.600 234 H HA 0.904 5.459 4.556 -0.001 0.000 0.357 234 H C -1.794 173.513 175.328 -0.034 0.000 1.106 234 H CA -0.236 55.825 56.048 0.021 0.000 1.193 234 H CB 2.010 31.800 29.762 0.046 0.000 1.594 234 H HN 0.915 nan 8.280 nan 0.000 0.526 235 V N 4.597 124.212 119.914 -0.499 0.000 3.242 235 V HA 0.356 4.475 4.120 -0.001 0.000 0.298 235 V C -1.534 174.386 176.094 -0.290 0.000 1.352 235 V CA -0.637 61.493 62.300 -0.283 0.000 1.052 235 V CB 2.513 34.246 31.823 -0.150 0.000 1.101 235 V HN 0.548 nan 8.190 nan 0.000 0.446 236 V N 4.487 124.356 119.914 -0.076 0.000 2.334 236 V HA 0.442 4.562 4.120 -0.001 0.000 0.281 236 V C -0.386 175.772 176.094 0.107 0.000 1.016 236 V CA -0.502 61.800 62.300 0.003 0.000 0.832 236 V CB 1.083 32.930 31.823 0.039 0.000 0.999 236 V HN 0.888 nan 8.190 nan 0.000 0.439 237 H N 5.696 124.775 119.070 0.015 0.000 2.787 237 H HA 0.269 4.824 4.556 -0.001 0.000 0.275 237 H C 0.215 175.543 175.328 0.000 0.000 1.183 237 H CA -0.237 55.825 56.048 0.023 0.000 1.290 237 H CB 0.179 29.935 29.762 -0.010 0.000 1.438 237 H HN 0.840 nan 8.280 nan 0.000 0.487 238 E N 3.025 123.148 120.200 -0.128 0.000 1.121 238 E HA -0.294 4.056 4.350 -0.001 0.000 0.340 238 E C 0.920 177.546 176.600 0.043 0.000 1.411 238 E CA 1.087 57.447 56.400 -0.067 0.000 1.268 238 E CB -0.563 29.039 29.700 -0.162 0.000 0.516 238 E HN 1.161 nan 8.360 nan 0.000 0.350 239 G N 3.086 111.907 108.800 0.036 0.000 2.659 239 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.212 239 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.212 239 G C -0.018 174.909 174.900 0.045 0.000 1.226 239 G CA 0.444 45.569 45.100 0.042 0.000 0.739 239 G HN 0.420 nan 8.290 nan 0.000 0.528 240 K N 1.272 121.706 120.400 0.056 0.000 2.435 240 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 240 K C -0.518 176.100 176.600 0.029 0.000 0.954 240 K CA -0.582 55.728 56.287 0.039 0.000 0.820 240 K CB 2.304 34.818 32.500 0.023 0.000 1.292 240 K HN 0.602 nan 8.250 nan 0.000 0.436 241 E N 2.120 122.326 120.200 0.009 0.000 2.283 241 E HA 0.390 4.740 4.350 -0.001 0.000 0.271 241 E C -0.609 175.937 176.600 -0.090 0.000 1.031 241 E CA -0.855 55.508 56.400 -0.062 0.000 0.868 241 E CB 1.126 30.808 29.700 -0.030 0.000 1.094 241 E HN 0.179 nan 8.360 nan 0.000 0.401 242 K N 1.689 121.985 120.400 -0.173 0.000 2.522 242 K HA 0.487 4.806 4.320 -0.001 0.000 0.275 242 K C -0.855 175.665 176.600 -0.132 0.000 1.006 242 K CA -0.808 55.397 56.287 -0.137 0.000 0.890 242 K CB 1.877 34.304 32.500 -0.120 0.000 1.475 242 K HN 0.573 nan 8.250 nan 0.000 0.441 243 I N 3.058 123.584 120.570 -0.073 0.000 2.464 243 I HA 0.189 4.359 4.170 -0.001 0.000 0.277 243 I C -0.653 175.489 176.117 0.042 0.000 1.040 243 I CA -0.610 60.723 61.300 0.056 0.000 1.153 243 I CB 0.690 38.862 38.000 0.287 0.000 1.274 243 I HN 0.166 nan 8.210 nan 0.000 0.469 244 L N 5.544 126.800 121.223 0.056 0.000 2.578 244 L HA 0.510 4.850 4.340 -0.001 0.000 0.259 244 L C -0.261 176.700 176.870 0.153 0.000 1.082 244 L CA -0.571 54.357 54.840 0.146 0.000 0.843 244 L CB 0.176 42.309 42.059 0.123 0.000 1.535 244 L HN 0.198 nan 8.230 nan 0.000 0.510 245 Y N -0.856 119.498 120.300 0.089 0.000 2.458 245 Y HA 0.521 5.071 4.550 -0.001 0.000 0.322 245 Y C 1.147 177.121 175.900 0.124 0.000 1.259 245 Y CA -0.157 58.011 58.100 0.114 0.000 1.302 245 Y CB 0.589 39.107 38.460 0.097 0.000 1.314 245 Y HN 0.639 nan 8.280 nan 0.000 0.509 246 A N 2.030 125.026 122.820 0.293 0.000 1.844 246 A HA -0.220 4.099 4.320 -0.001 0.000 0.214 246 A C 2.167 179.894 177.584 0.239 0.000 1.217 246 A CA 2.215 54.412 52.037 0.267 0.000 0.644 246 A CB -0.786 18.359 19.000 0.242 0.000 0.850 246 A HN 0.803 nan 8.150 nan 0.000 0.456 247 R N 0.482 121.100 120.500 0.197 0.000 2.211 247 R HA -0.169 4.170 4.340 -0.001 0.000 0.240 247 R C 1.538 177.918 176.300 0.132 0.000 1.144 247 R CA 1.721 57.910 56.100 0.147 0.000 0.992 247 R CB -0.964 29.396 30.300 0.099 0.000 0.869 247 R HN 0.804 nan 8.270 nan 0.000 0.462 248 E N 1.006 121.298 120.200 0.153 0.000 2.482 248 E HA 0.109 4.458 4.350 -0.001 0.000 0.196 248 E C 0.132 176.807 176.600 0.125 0.000 1.047 248 E CA 0.298 56.770 56.400 0.119 0.000 0.869 248 E CB 0.263 30.041 29.700 0.131 0.000 0.836 248 E HN 0.445 nan 8.360 nan 0.000 0.520 252 L N -2.265 119.008 121.223 0.082 0.000 2.840 252 L HA 0.634 4.973 4.340 -0.001 0.000 0.249 252 L C 0.304 177.043 176.870 -0.217 0.000 1.119 252 L CA 1.225 56.055 54.840 -0.017 0.000 0.930 252 L CB 0.277 42.377 42.059 0.067 0.000 1.295 252 L HN 0.215 nan 8.230 nan 0.000 0.534 253 F N -0.166 119.712 119.950 -0.120 0.000 2.724 253 F HA 0.349 4.875 4.527 -0.001 0.000 0.310 253 F C 1.315 177.020 175.800 -0.159 0.000 1.107 253 F CA 0.031 57.879 58.000 -0.253 0.000 1.218 253 F CB -0.224 38.471 39.000 -0.507 0.000 1.042 253 F HN 0.190 nan 8.300 nan 0.000 0.540 254 N N 0.427 119.159 118.700 0.054 0.000 2.909 254 N HA -0.208 4.532 4.740 -0.001 0.000 0.242 254 N C -0.429 175.142 175.510 0.102 0.000 0.975 254 N CA -0.075 53.011 53.050 0.060 0.000 0.921 254 N CB -0.870 37.644 38.487 0.045 0.000 1.112 254 N HN 0.160 nan 8.380 nan 0.000 0.581 255 L N 1.163 122.471 121.223 0.143 0.000 2.417 255 L HA 0.238 4.578 4.340 -0.001 0.000 0.268 255 L C 0.546 177.497 176.870 0.135 0.000 1.158 255 L CA 0.121 55.062 54.840 0.167 0.000 0.819 255 L CB 0.913 43.114 42.059 0.237 0.000 1.112 255 L HN 0.171 nan 8.230 nan 0.000 0.458 256 E N 3.546 123.815 120.200 0.114 0.000 2.129 256 E HA 0.373 4.723 4.350 -0.001 0.000 0.268 256 E C -2.405 174.239 176.600 0.074 0.000 0.900 256 E CA -1.908 54.542 56.400 0.084 0.000 0.755 256 E CB 1.094 30.831 29.700 0.062 0.000 1.117 256 E HN 0.211 nan 8.360 nan 0.000 0.410 257 P HA -0.030 nan 4.420 nan 0.000 0.263 257 P C -0.809 176.504 177.300 0.022 0.000 1.195 257 P CA -0.188 62.941 63.100 0.049 0.000 0.762 257 P CB 0.721 32.456 31.700 0.059 0.000 0.799 258 V N 4.966 124.880 119.914 -0.001 0.000 2.953 258 V HA 0.339 4.459 4.120 -0.001 0.000 0.304 258 V C -0.252 175.838 176.094 -0.006 0.000 1.073 258 V CA -0.379 61.917 62.300 -0.006 0.000 1.064 258 V CB 1.499 33.309 31.823 -0.021 0.000 1.047 258 V HN 0.368 nan 8.190 nan 0.000 0.478 259 V N 4.815 124.727 119.914 -0.004 0.000 2.376 259 V HA 0.536 4.656 4.120 -0.001 0.000 0.287 259 V C -0.325 175.766 176.094 -0.005 0.000 1.015 259 V CA -0.809 61.489 62.300 -0.004 0.000 0.834 259 V CB 1.014 32.837 31.823 -0.000 0.000 1.001 259 V HN 0.738 nan 8.190 nan 0.000 0.428 260 L N 5.365 126.583 121.223 -0.008 0.000 2.462 260 L HA 0.544 4.883 4.340 -0.001 0.000 0.272 260 L C 1.271 178.139 176.870 -0.004 0.000 1.166 260 L CA 0.802 55.638 54.840 -0.008 0.000 0.880 260 L CB 0.385 42.436 42.059 -0.012 0.000 1.142 260 L HN 0.930 nan 8.230 nan 0.000 0.473 261 G N 3.645 112.445 108.800 -0.000 0.000 2.568 261 G HA2 0.455 4.415 3.960 -0.001 0.000 0.293 261 G HA3 0.455 4.415 3.960 -0.001 0.000 0.293 261 G C -2.575 172.328 174.900 0.004 0.000 1.347 261 G CA -1.317 43.784 45.100 0.002 0.000 1.039 261 G HN 0.447 nan 8.290 nan 0.000 0.523 262 P HA -0.093 nan 4.420 nan 0.000 0.257 262 P C -0.191 177.118 177.300 0.015 0.000 1.144 262 P CA 0.452 63.556 63.100 0.007 0.000 0.761 262 P CB 0.444 32.145 31.700 0.002 0.000 0.734 263 K N 1.324 121.735 120.400 0.019 0.000 2.927 263 K HA -0.229 4.091 4.320 -0.001 0.000 0.265 263 K C 0.907 177.523 176.600 0.028 0.000 1.037 263 K CA 1.313 57.617 56.287 0.028 0.000 0.783 263 K CB -1.855 30.669 32.500 0.041 0.000 1.211 263 K HN 0.675 nan 8.250 nan 0.000 0.470 264 E N -0.430 119.781 120.200 0.018 0.000 2.445 264 E HA 0.062 4.411 4.350 -0.001 0.000 0.189 264 E C 1.537 178.140 176.600 0.006 0.000 1.069 264 E CA 0.565 56.974 56.400 0.014 0.000 0.871 264 E CB 0.144 29.849 29.700 0.009 0.000 0.991 264 E HN 0.447 nan 8.360 nan 0.000 0.481 265 G N 0.497 109.300 108.800 0.005 0.000 2.742 265 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.204 265 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.204 265 G C 1.223 176.123 174.900 -0.000 0.000 1.126 265 G CA -0.145 44.951 45.100 -0.006 0.000 0.829 265 G HN 0.258 nan 8.290 nan 0.000 0.574 266 L N 1.962 123.193 121.223 0.013 0.000 2.083 266 L HA 0.210 4.550 4.340 -0.001 0.000 0.209 266 L C 2.515 179.405 176.870 0.034 0.000 1.083 266 L CA 2.101 56.955 54.840 0.024 0.000 0.752 266 L CB -0.746 41.337 42.059 0.040 0.000 0.899 266 L HN 0.154 nan 8.230 nan 0.000 0.433 267 G N -1.416 107.407 108.800 0.038 0.000 2.776 267 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.209 267 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.209 267 G C 1.315 176.233 174.900 0.030 0.000 1.145 267 G CA 0.707 45.833 45.100 0.044 0.000 0.791 267 G HN 0.384 nan 8.290 nan 0.000 0.530 268 L N 0.362 121.595 121.223 0.016 0.000 2.577 268 L HA 0.268 4.607 4.340 -0.001 0.000 0.225 268 L C 2.348 179.221 176.870 0.004 0.000 1.053 268 L CA 0.865 55.707 54.840 0.004 0.000 0.866 268 L CB 0.632 42.685 42.059 -0.010 0.000 1.132 268 L HN 0.076 nan 8.230 nan 0.000 0.486 269 V N -3.705 116.211 119.914 0.003 0.000 3.621 269 V HA 0.249 4.369 4.120 -0.001 0.000 0.285 269 V C 0.583 176.682 176.094 0.008 0.000 1.346 269 V CA -0.140 62.160 62.300 0.001 0.000 1.104 269 V CB -0.930 30.884 31.823 -0.015 0.000 0.913 269 V HN 0.358 nan 8.190 nan 0.000 0.432 270 N N 1.144 119.858 118.700 0.023 0.000 2.462 270 N HA 0.610 5.350 4.740 -0.001 0.000 0.242 270 N C 0.072 175.632 175.510 0.084 0.000 1.010 270 N CA 0.551 53.627 53.050 0.042 0.000 0.939 270 N CB 0.995 39.525 38.487 0.071 0.000 1.127 270 N HN 0.696 nan 8.380 nan 0.000 0.509 271 G N 0.321 109.176 108.800 0.090 0.000 2.322 271 G HA2 0.017 3.976 3.960 -0.001 0.000 0.295 271 G HA3 0.017 3.976 3.960 -0.001 0.000 0.295 271 G C -0.169 174.778 174.900 0.079 0.000 1.369 271 G CA -0.395 44.761 45.100 0.093 0.000 0.821 271 G HN 0.257 nan 8.290 nan 0.000 0.536 272 T N 0.822 115.410 114.554 0.057 0.000 3.040 272 T HA 0.376 4.726 4.350 -0.001 0.000 0.250 272 T C 2.489 177.200 174.700 0.018 0.000 1.058 272 T CA 1.541 63.665 62.100 0.039 0.000 0.988 272 T CB 0.076 68.961 68.868 0.028 0.000 0.993 272 T HN 1.159 nan 8.240 nan 0.000 0.519 273 A N 1.614 124.442 122.820 0.013 0.000 1.916 273 A HA -0.223 4.097 4.320 -0.001 0.000 0.224 273 A C 2.387 179.970 177.584 -0.001 0.000 1.366 273 A CA 2.432 54.471 52.037 0.003 0.000 0.692 273 A CB -1.374 17.629 19.000 0.005 0.000 0.841 273 A HN 0.379 nan 8.150 nan 0.000 0.480 274 V N -0.592 119.324 119.914 0.003 0.000 2.343 274 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 274 V C 2.755 178.845 176.094 -0.007 0.000 1.051 274 V CA 2.455 64.753 62.300 -0.004 0.000 1.036 274 V CB -0.958 30.863 31.823 -0.004 0.000 0.654 274 V HN 0.606 nan 8.190 nan 0.000 0.451 275 S N 0.338 116.036 115.700 -0.002 0.000 2.345 275 S HA -0.109 4.361 4.470 -0.001 0.000 0.220 275 S C 2.275 176.870 174.600 -0.009 0.000 1.031 275 S CA 1.321 59.519 58.200 -0.004 0.000 0.996 275 S CB -0.591 62.612 63.200 0.005 0.000 0.882 275 S HN 0.637 nan 8.310 nan 0.000 0.445 276 A N 1.320 124.135 122.820 -0.010 0.000 1.948 276 A HA -0.054 4.266 4.320 -0.001 0.000 0.220 276 A C 1.621 179.191 177.584 -0.023 0.000 1.177 276 A CA 1.409 53.435 52.037 -0.019 0.000 0.636 276 A CB -0.786 18.201 19.000 -0.021 0.000 0.815 276 A HN 0.457 nan 8.150 nan 0.000 0.449 280 T N 1.311 115.851 114.554 -0.023 0.000 2.746 280 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 280 T C 1.720 176.430 174.700 0.017 0.000 1.039 280 T CA 1.912 64.000 62.100 -0.020 0.000 1.142 280 T CB -0.292 68.555 68.868 -0.034 0.000 0.866 280 T HN 0.193 nan 8.240 nan 0.000 0.444 281 L N 1.108 122.329 121.223 -0.003 0.000 2.093 281 L HA 0.139 4.478 4.340 -0.001 0.000 0.208 281 L C 2.754 179.658 176.870 0.056 0.000 1.085 281 L CA 1.248 56.087 54.840 -0.001 0.000 0.755 281 L CB -1.354 40.684 42.059 -0.035 0.000 0.904 281 L HN 0.228 nan 8.230 nan 0.000 0.435 282 A N -0.857 121.979 122.820 0.028 0.000 1.897 282 A HA -0.139 4.180 4.320 -0.001 0.000 0.215 282 A C 2.235 179.827 177.584 0.013 0.000 1.181 282 A CA 1.371 53.421 52.037 0.023 0.000 0.620 282 A CB -0.721 18.280 19.000 0.001 0.000 0.821 282 A HN 0.326 nan 8.150 nan 0.000 0.443 283 L N -0.514 120.706 121.223 -0.005 0.000 2.093 283 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 283 L C 2.266 179.094 176.870 -0.069 0.000 1.085 283 L CA 2.772 57.560 54.840 -0.087 0.000 0.755 283 L CB -0.920 41.092 42.059 -0.078 0.000 0.904 283 L HN 0.659 nan 8.230 nan 0.000 0.435 284 H N -0.888 118.187 119.070 0.008 0.000 2.321 284 H HA -0.158 4.397 4.556 -0.001 0.000 0.300 284 H C 1.710 177.087 175.328 0.080 0.000 1.087 284 H CA 2.215 58.331 56.048 0.113 0.000 1.319 284 H CB -0.025 29.786 29.762 0.082 0.000 1.379 284 H HN 0.368 nan 8.280 nan 0.000 0.501 285 D N 0.378 120.887 120.400 0.182 0.000 2.144 285 D HA -0.092 4.548 4.640 -0.001 0.000 0.200 285 D C 2.247 178.550 176.300 0.006 0.000 0.978 285 D CA 1.279 55.338 54.000 0.099 0.000 0.833 285 D CB -0.639 40.231 40.800 0.116 0.000 0.961 285 D HN 0.588 nan 8.370 nan 0.000 0.470 286 A N 1.063 123.869 122.820 -0.024 0.000 1.972 286 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 286 A C 1.231 178.789 177.584 -0.042 0.000 1.169 286 A CA 0.942 52.949 52.037 -0.050 0.000 0.635 286 A CB -0.517 18.424 19.000 -0.097 0.000 0.810 286 A HN 0.222 nan 8.150 nan 0.000 0.446 290 S N -0.124 115.607 115.700 0.052 0.000 2.399 290 S HA -0.040 4.430 4.470 -0.001 0.000 0.231 290 S C 1.865 176.495 174.600 0.049 0.000 1.022 290 S CA 1.514 59.754 58.200 0.065 0.000 0.983 290 S CB 0.008 63.259 63.200 0.086 0.000 0.803 290 S HN 0.344 nan 8.310 nan 0.000 0.480 291 L N 0.460 121.699 121.223 0.027 0.000 2.162 291 L HA 0.078 4.418 4.340 -0.001 0.000 0.205 291 L C 2.390 179.257 176.870 -0.007 0.000 1.086 291 L CA 0.559 55.399 54.840 0.001 0.000 0.778 291 L CB -0.456 41.590 42.059 -0.023 0.000 0.928 291 L HN 0.345 nan 8.230 nan 0.000 0.446 292 L N -0.540 120.683 121.223 -0.001 0.000 2.131 292 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 292 L C 2.648 179.517 176.870 -0.002 0.000 1.092 292 L CA 1.839 56.676 54.840 -0.005 0.000 0.759 292 L CB -0.569 41.497 42.059 0.011 0.000 0.903 292 L HN 0.148 nan 8.230 nan 0.000 0.435 293 S N -1.307 114.410 115.700 0.029 0.000 2.402 293 S HA -0.202 4.268 4.470 -0.001 0.000 0.229 293 S C 1.883 176.502 174.600 0.032 0.000 1.021 293 S CA 1.392 59.623 58.200 0.053 0.000 0.974 293 S CB -0.169 63.091 63.200 0.100 0.000 0.800 293 S HN 0.715 nan 8.310 nan 0.000 0.484 294 Q N 0.229 120.039 119.800 0.016 0.000 2.137 294 Q HA 0.036 4.375 4.340 -0.001 0.000 0.198 294 Q C 2.446 178.413 176.000 -0.055 0.000 0.960 294 Q CA 1.425 57.222 55.803 -0.010 0.000 0.847 294 Q CB -0.193 28.537 28.738 -0.014 0.000 0.915 294 Q HN 0.505 nan 8.270 nan 0.000 0.448 295 S N 1.129 116.797 115.700 -0.053 0.000 2.356 295 S HA -0.110 4.360 4.470 -0.001 0.000 0.223 295 S C 1.850 176.397 174.600 -0.088 0.000 1.032 295 S CA 0.889 59.050 58.200 -0.065 0.000 1.005 295 S CB -0.130 63.041 63.200 -0.049 0.000 0.867 295 S HN 0.148 nan 8.310 nan 0.000 0.449 296 L N 1.735 122.887 121.223 -0.118 0.000 2.083 296 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 296 L C 2.551 179.328 176.870 -0.156 0.000 1.083 296 L CA 1.639 56.332 54.840 -0.246 0.000 0.752 296 L CB -1.790 40.019 42.059 -0.417 0.000 0.899 296 L HN 0.272 nan 8.230 nan 0.000 0.433 297 T N -0.322 114.197 114.554 -0.058 0.000 2.708 297 T HA -0.056 4.294 4.350 -0.001 0.000 0.266 297 T C 1.183 175.858 174.700 -0.042 0.000 1.037 297 T CA 0.930 63.032 62.100 0.004 0.000 1.146 297 T CB -0.332 68.555 68.868 0.032 0.000 0.865 297 T HN 0.430 nan 8.240 nan 0.000 0.435 301 V N 2.368 122.288 119.914 0.010 0.000 2.490 301 V HA -0.121 3.998 4.120 -0.001 0.000 0.250 301 V C 2.388 178.480 176.094 -0.002 0.000 1.061 301 V CA 2.033 64.357 62.300 0.040 0.000 1.064 301 V CB -0.418 31.458 31.823 0.089 0.000 0.670 301 V HN 0.521 nan 8.190 nan 0.000 0.461 302 E N 0.644 120.821 120.200 -0.037 0.000 2.015 302 E HA -0.015 4.335 4.350 -0.001 0.000 0.191 302 E C 1.490 177.916 176.600 -0.290 0.000 0.991 302 E CA 0.917 57.278 56.400 -0.065 0.000 0.802 302 E CB -0.281 29.382 29.700 -0.062 0.000 0.759 302 E HN 0.596 nan 8.360 nan 0.000 0.447 306 G N -0.566 108.213 108.800 -0.035 0.000 2.494 306 G HA2 0.459 4.419 3.960 -0.001 0.000 0.270 306 G HA3 0.459 4.419 3.960 -0.001 0.000 0.270 306 G C -0.413 174.394 174.900 -0.155 0.000 1.423 306 G CA -0.323 44.762 45.100 -0.025 0.000 1.055 306 G HN 0.485 nan 8.290 nan 0.000 0.536 307 H N -0.690 118.419 119.070 0.065 0.000 2.469 307 H HA 0.438 4.994 4.556 -0.001 0.000 0.342 307 H C 0.754 176.143 175.328 0.102 0.000 1.115 307 H CA -0.071 56.005 56.048 0.047 0.000 1.204 307 H CB 2.037 31.817 29.762 0.031 0.000 1.492 307 H HN 0.502 nan 8.280 nan 0.000 0.499 308 A N 2.717 125.620 122.820 0.138 0.000 2.123 308 A HA 0.032 4.352 4.320 -0.001 0.000 0.214 308 A C 2.322 180.082 177.584 0.292 0.000 1.152 308 A CA 0.884 53.054 52.037 0.221 0.000 0.728 308 A CB -0.484 18.458 19.000 -0.096 0.000 0.814 308 A HN 0.843 nan 8.150 nan 0.000 0.464 309 G N -0.123 108.797 108.800 0.200 0.000 2.462 309 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.220 309 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.220 309 G C 1.533 176.495 174.900 0.103 0.000 1.121 309 G CA 1.243 46.447 45.100 0.173 0.000 0.758 309 G HN 0.480 nan 8.290 nan 0.000 0.559 310 S N 0.097 115.750 115.700 -0.078 0.000 2.507 310 S HA 0.040 4.510 4.470 -0.001 0.000 0.235 310 S C 1.001 175.326 174.600 -0.458 0.000 0.988 310 S CA 0.481 58.459 58.200 -0.371 0.000 0.944 310 S CB -0.234 62.548 63.200 -0.695 0.000 0.762 310 S HN 0.447 nan 8.310 nan 0.000 0.526 311 F N 0.079 120.164 119.950 0.225 0.000 2.668 311 F HA 0.284 4.811 4.527 -0.001 0.000 0.301 311 F C 0.891 176.799 175.800 0.179 0.000 1.106 311 F CA -0.723 57.364 58.000 0.146 0.000 1.289 311 F CB 0.015 39.031 39.000 0.027 0.000 1.006 311 F HN 0.196 nan 8.300 nan 0.000 0.535 312 H N 4.624 123.869 119.070 0.292 0.000 2.764 312 H HA 0.060 4.615 4.556 -0.001 0.000 0.341 312 H C -1.517 174.011 175.328 0.333 0.000 1.072 312 H CA -1.305 54.901 56.048 0.263 0.000 1.444 312 H CB 1.643 31.534 29.762 0.214 0.000 1.458 312 H HN -0.029 nan 8.280 nan 0.000 0.572 313 P HA -0.218 nan 4.420 nan 0.000 0.218 313 P C 1.505 178.967 177.300 0.271 0.000 1.146 313 P CA 1.110 64.275 63.100 0.107 0.000 0.813 313 P CB -0.190 31.479 31.700 -0.052 0.000 0.778 314 F N 0.698 120.855 119.950 0.345 0.000 2.234 314 F HA -0.043 4.483 4.527 -0.001 0.000 0.299 314 F C 1.941 177.810 175.800 0.115 0.000 1.087 314 F CA 1.058 59.209 58.000 0.251 0.000 1.340 314 F CB -0.530 38.640 39.000 0.284 0.000 1.031 314 F HN -0.280 nan 8.300 nan 0.000 0.500 315 L N -0.615 120.702 121.223 0.157 0.000 2.627 315 L HA 0.009 4.349 4.340 -0.001 0.000 0.233 315 L C 0.654 177.111 176.870 -0.688 0.000 1.144 315 L CA 0.361 55.048 54.840 -0.255 0.000 0.892 315 L CB -0.521 41.395 42.059 -0.238 0.000 1.039 315 L HN 0.268 nan 8.230 nan 0.000 0.442 316 H N -3.184 115.871 119.070 -0.026 0.000 2.460 316 H HA 0.058 4.613 4.556 -0.001 0.000 0.140 316 H C 1.265 176.567 175.328 -0.043 0.000 1.101 316 H CA -0.145 55.896 56.048 -0.012 0.000 1.101 316 H CB -0.218 29.569 29.762 0.042 0.000 0.893 316 H HN -0.109 nan 8.280 nan 0.000 0.286 317 D N 0.942 121.420 120.400 0.130 0.000 2.149 317 D HA -0.144 4.496 4.640 -0.001 0.000 0.194 317 D C 1.872 178.152 176.300 -0.035 0.000 1.001 317 D CA 1.753 55.779 54.000 0.044 0.000 0.849 317 D CB -0.054 40.777 40.800 0.053 0.000 0.939 317 D HN 0.152 nan 8.370 nan 0.000 0.449 318 V N 0.097 119.946 119.914 -0.108 0.000 2.426 318 V HA -0.100 4.020 4.120 -0.001 0.000 0.242 318 V C 2.489 178.396 176.094 -0.310 0.000 1.036 318 V CA 1.873 64.043 62.300 -0.217 0.000 1.044 318 V CB -0.603 31.020 31.823 -0.334 0.000 0.688 318 V HN 0.370 nan 8.190 nan 0.000 0.462 319 T N -1.623 112.679 114.554 -0.419 0.000 3.009 319 T HA 0.036 4.386 4.350 -0.001 0.000 0.258 319 T C 1.258 175.836 174.700 -0.204 0.000 1.063 319 T CA 0.417 62.307 62.100 -0.351 0.000 1.139 319 T CB 0.096 68.700 68.868 -0.440 0.000 0.890 319 T HN 0.302 nan 8.240 nan 0.000 0.471 320 R N 2.094 122.499 120.500 -0.159 0.000 2.687 320 R HA 0.292 4.631 4.340 -0.001 0.000 0.264 320 R C -2.669 173.586 176.300 -0.074 0.000 1.715 320 R CA -1.638 54.404 56.100 -0.096 0.000 1.633 320 R CB 1.204 31.499 30.300 -0.009 0.000 1.353 320 R HN 0.067 nan 8.270 nan 0.000 0.653 321 P HA -0.110 nan 4.420 nan 0.000 0.311 321 P C -0.842 176.387 177.300 -0.117 0.000 1.543 321 P CA 0.308 63.346 63.100 -0.104 0.000 0.766 321 P CB -0.439 31.195 31.700 -0.109 0.000 1.711 322 H N 0.827 119.907 119.070 0.015 0.000 3.017 322 H HA 0.084 4.639 4.556 -0.001 0.000 0.276 322 H C -1.130 174.214 175.328 0.027 0.000 1.062 322 H CA -1.172 54.887 56.048 0.018 0.000 1.486 322 H CB 0.294 30.068 29.762 0.020 0.000 1.507 322 H HN 0.091 nan 8.280 nan 0.000 0.508 323 P HA -0.287 nan 4.420 nan 0.000 0.219 323 P C 1.542 178.888 177.300 0.078 0.000 1.161 323 P CA 2.423 65.567 63.100 0.073 0.000 0.909 323 P CB 0.138 31.871 31.700 0.056 0.000 0.793 324 T N -3.721 110.886 114.554 0.088 0.000 2.995 324 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 324 T C 1.913 176.658 174.700 0.076 0.000 1.091 324 T CA 0.842 62.982 62.100 0.066 0.000 1.128 324 T CB -0.722 68.177 68.868 0.051 0.000 0.891 324 T HN 0.203 nan 8.240 nan 0.000 0.492 325 Q N 0.542 120.413 119.800 0.119 0.000 2.137 325 Q HA 0.056 4.395 4.340 -0.001 0.000 0.198 325 Q C 2.188 178.251 176.000 0.106 0.000 0.960 325 Q CA 0.906 56.795 55.803 0.145 0.000 0.847 325 Q CB -0.248 28.627 28.738 0.227 0.000 0.915 325 Q HN 0.631 nan 8.270 nan 0.000 0.448 326 I N 0.620 121.251 120.570 0.102 0.000 2.252 326 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 326 I C 2.455 178.577 176.117 0.008 0.000 1.102 326 I CA 1.280 62.613 61.300 0.056 0.000 1.385 326 I CB -0.349 37.690 38.000 0.064 0.000 1.064 326 I HN 0.347 nan 8.210 nan 0.000 0.414 327 E N 1.196 121.409 120.200 0.021 0.000 2.051 327 E HA -0.199 4.150 4.350 -0.001 0.000 0.192 327 E C 2.269 178.866 176.600 -0.005 0.000 0.991 327 E CA 1.665 58.068 56.400 0.006 0.000 0.799 327 E CB 0.128 29.835 29.700 0.012 0.000 0.748 327 E HN 0.267 nan 8.360 nan 0.000 0.449 328 V N 1.124 121.044 119.914 0.010 0.000 2.379 328 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 328 V C 2.468 178.558 176.094 -0.006 0.000 1.044 328 V CA 1.586 63.895 62.300 0.016 0.000 1.036 328 V CB -0.597 31.263 31.823 0.061 0.000 0.664 328 V HN 0.455 nan 8.190 nan 0.000 0.453 329 A N 0.664 123.452 122.820 -0.053 0.000 1.902 329 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 329 A C 2.418 179.967 177.584 -0.059 0.000 1.181 329 A CA 1.971 53.941 52.037 -0.113 0.000 0.623 329 A CB -1.236 17.368 19.000 -0.659 0.000 0.818 329 A HN 0.510 nan 8.150 nan 0.000 0.443 330 G N -0.129 108.634 108.800 -0.062 0.000 2.446 330 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.217 330 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.217 330 G C 1.442 176.311 174.900 -0.052 0.000 1.168 330 G CA 1.120 46.196 45.100 -0.040 0.000 0.771 330 G HN 0.711 nan 8.290 nan 0.000 0.551 331 N N 0.177 118.843 118.700 -0.057 0.000 2.069 331 N HA -0.093 4.647 4.740 -0.001 0.000 0.191 331 N C 2.207 177.645 175.510 -0.119 0.000 1.031 331 N CA 1.088 54.096 53.050 -0.070 0.000 0.852 331 N CB -0.181 38.272 38.487 -0.056 0.000 1.018 331 N HN 0.314 nan 8.380 nan 0.000 0.423 332 I N 0.802 121.258 120.570 -0.191 0.000 2.252 332 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 332 I C 2.649 178.545 176.117 -0.370 0.000 1.102 332 I CA 0.707 61.773 61.300 -0.391 0.000 1.385 332 I CB -0.289 37.248 38.000 -0.771 0.000 1.064 332 I HN 0.166 nan 8.210 nan 0.000 0.414 333 R N 1.782 122.155 120.500 -0.211 0.000 2.083 333 R HA -0.248 4.092 4.340 -0.001 0.000 0.237 333 R C 2.306 178.583 176.300 -0.038 0.000 1.137 333 R CA 1.922 57.989 56.100 -0.055 0.000 0.951 333 R CB -0.175 30.145 30.300 0.033 0.000 0.851 333 R HN 0.242 nan 8.270 nan 0.000 0.434 334 K N 0.551 120.922 120.400 -0.047 0.000 1.978 334 K HA -0.158 4.161 4.320 -0.001 0.000 0.214 334 K C 2.224 178.809 176.600 -0.025 0.000 1.049 334 K CA 1.921 58.193 56.287 -0.025 0.000 0.939 334 K CB -0.281 32.199 32.500 -0.033 0.000 0.721 334 K HN 0.208 nan 8.250 nan 0.000 0.441 335 L N 0.835 122.024 121.223 -0.056 0.000 2.189 335 L HA -0.220 4.119 4.340 -0.001 0.000 0.214 335 L C 2.245 179.102 176.870 -0.021 0.000 1.097 335 L CA 0.552 55.365 54.840 -0.045 0.000 0.764 335 L CB -0.319 41.694 42.059 -0.077 0.000 0.900 335 L HN 0.248 nan 8.230 nan 0.000 0.436 336 L N -0.499 120.701 121.223 -0.038 0.000 2.492 336 L HA 0.058 4.398 4.340 -0.001 0.000 0.223 336 L C 1.000 177.946 176.870 0.127 0.000 1.132 336 L CA 0.655 55.504 54.840 0.015 0.000 0.850 336 L CB -0.448 41.578 42.059 -0.055 0.000 0.966 336 L HN 0.165 nan 8.230 nan 0.000 0.454 337 E N -0.139 120.125 120.200 0.107 0.000 2.465 337 E HA 0.232 4.582 4.350 -0.001 0.000 0.260 337 E C 1.095 177.767 176.600 0.120 0.000 0.980 337 E CA 0.675 57.160 56.400 0.142 0.000 0.927 337 E CB -0.039 29.705 29.700 0.074 0.000 0.934 337 E HN 0.339 nan 8.360 nan 0.000 0.459 338 G N 2.911 111.770 108.800 0.098 0.000 2.198 338 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.260 338 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.260 338 G C 0.198 175.128 174.900 0.050 0.000 1.025 338 G CA 0.517 45.623 45.100 0.009 0.000 0.769 338 G HN 0.494 nan 8.290 nan 0.000 0.507 339 S N -1.391 114.416 115.700 0.178 0.000 2.554 339 S HA 0.653 5.123 4.470 -0.001 0.000 0.278 339 S C 1.313 176.028 174.600 0.193 0.000 1.242 339 S CA -0.240 58.084 58.200 0.207 0.000 1.051 339 S CB 1.395 64.759 63.200 0.275 0.000 0.986 339 S HN 0.364 nan 8.310 nan 0.000 0.502 340 R N 2.627 123.175 120.500 0.079 0.000 2.254 340 R HA 0.342 4.682 4.340 -0.001 0.000 0.195 340 R C 1.032 177.418 176.300 0.143 0.000 0.957 340 R CA 0.853 56.986 56.100 0.054 0.000 1.024 340 R CB -0.342 29.985 30.300 0.045 0.000 0.952 340 R HN 0.705 nan 8.270 nan 0.000 0.484 341 F N 0.326 120.442 119.950 0.277 0.000 2.074 341 F HA 0.249 4.775 4.527 -0.001 0.000 0.293 341 F C 1.342 177.224 175.800 0.137 0.000 1.116 341 F CA 0.585 58.722 58.000 0.228 0.000 1.212 341 F CB -0.905 38.144 39.000 0.082 0.000 0.998 341 F HN -0.085 nan 8.300 nan 0.000 0.471 342 A N 0.654 123.653 122.820 0.299 0.000 2.407 342 A HA 0.437 4.756 4.320 -0.001 0.000 0.248 342 A C -0.142 177.460 177.584 0.030 0.000 1.082 342 A CA -0.432 51.661 52.037 0.093 0.000 0.785 342 A CB 0.032 19.033 19.000 0.002 0.000 1.020 342 A HN -0.018 nan 8.150 nan 0.000 0.489 343 V N 2.199 122.049 119.914 -0.107 0.000 2.649 343 V HA 0.164 4.284 4.120 -0.001 0.000 0.292 343 V C 0.589 176.589 176.094 -0.156 0.000 1.055 343 V CA 0.337 62.569 62.300 -0.115 0.000 1.023 343 V CB 0.716 32.362 31.823 -0.294 0.000 0.992 343 V HN 1.022 nan 8.190 nan 0.000 0.480 344 H N 1.914 120.900 119.070 -0.139 0.000 2.827 344 H HA 0.298 4.854 4.556 -0.001 0.000 0.269 344 H C -0.326 174.992 175.328 -0.016 0.000 1.031 344 H CA 0.282 56.286 56.048 -0.073 0.000 1.202 344 H CB 0.225 29.932 29.762 -0.092 0.000 1.511 344 H HN 0.959 nan 8.280 nan 0.000 0.517 345 H N -2.457 116.730 119.070 0.196 0.000 3.041 345 H HA 0.304 4.859 4.556 -0.001 0.000 0.293 345 H C -1.302 174.096 175.328 0.116 0.000 1.166 345 H CA -0.974 55.158 56.048 0.141 0.000 1.529 345 H CB 0.322 30.152 29.762 0.113 0.000 2.050 345 H HN 0.049 nan 8.280 nan 0.000 0.505 346 E N 1.176 121.539 120.200 0.271 0.000 2.446 346 E HA 0.450 4.799 4.350 -0.001 0.000 0.251 346 E C -0.472 176.218 176.600 0.150 0.000 1.087 346 E CA -1.055 55.461 56.400 0.195 0.000 0.937 346 E CB 1.281 31.068 29.700 0.145 0.000 1.254 346 E HN 0.709 nan 8.360 nan 0.000 0.479 347 E N 1.165 121.426 120.200 0.101 0.000 2.593 347 E HA 0.105 4.455 4.350 -0.001 0.000 0.362 347 E C -1.306 175.320 176.600 0.044 0.000 0.962 347 E CA -0.394 56.042 56.400 0.061 0.000 0.760 347 E CB 0.224 29.960 29.700 0.059 0.000 1.521 347 E HN 0.633 nan 8.360 nan 0.000 0.384 360 Q N 0.940 120.735 119.800 -0.009 0.000 3.963 360 Q HA 0.031 4.371 4.340 -0.001 0.000 0.115 360 Q C -1.694 174.330 176.000 0.039 0.000 0.765 360 Q CA -0.156 55.648 55.803 0.001 0.000 0.989 360 Q CB 0.001 28.751 28.738 0.019 0.000 1.393 360 Q HN 0.723 nan 8.270 nan 0.000 0.502 361 D N 1.819 122.243 120.400 0.040 0.000 2.488 361 D HA 0.056 4.696 4.640 -0.001 0.000 0.238 361 D C 0.296 176.655 176.300 0.099 0.000 1.138 361 D CA 0.595 54.652 54.000 0.094 0.000 0.873 361 D CB 0.696 41.564 40.800 0.113 0.000 1.183 361 D HN 0.258 nan 8.370 nan 0.000 0.458 362 R N 1.998 122.557 120.500 0.099 0.000 2.577 362 R HA 0.106 4.446 4.340 -0.001 0.000 0.269 362 R C 0.845 177.281 176.300 0.226 0.000 1.084 362 R CA -0.616 55.566 56.100 0.136 0.000 1.163 362 R CB 0.249 30.563 30.300 0.024 0.000 1.100 362 R HN 0.491 nan 8.270 nan 0.000 0.547 363 Y N 0.969 121.243 120.300 -0.044 0.000 2.241 363 Y HA -0.136 4.413 4.550 -0.001 0.000 0.286 363 Y C -0.712 175.142 175.900 -0.077 0.000 1.166 363 Y CA 1.027 59.097 58.100 -0.051 0.000 1.203 363 Y CB -1.851 36.574 38.460 -0.058 0.000 0.977 363 Y HN 0.561 nan 8.280 nan 0.000 0.529 364 P HA -0.170 nan 4.420 nan 0.000 0.216 364 P C 1.682 179.003 177.300 0.036 0.000 1.150 364 P CA 1.665 64.742 63.100 -0.039 0.000 0.837 364 P CB -0.029 31.627 31.700 -0.073 0.000 0.786 365 L N -1.832 119.440 121.223 0.082 0.000 2.189 365 L HA 0.098 4.437 4.340 -0.001 0.000 0.199 365 L C 2.707 179.659 176.870 0.137 0.000 1.074 365 L CA 0.729 55.660 54.840 0.152 0.000 0.783 365 L CB -0.504 41.645 42.059 0.150 0.000 0.955 365 L HN -0.230 nan 8.230 nan 0.000 0.460 366 R N 0.284 120.810 120.500 0.043 0.000 2.148 366 R HA -0.126 4.213 4.340 -0.001 0.000 0.227 366 R C 1.678 177.908 176.300 -0.117 0.000 1.103 366 R CA 1.770 57.816 56.100 -0.091 0.000 0.983 366 R CB -0.004 30.251 30.300 -0.074 0.000 0.874 366 R HN 0.420 nan 8.270 nan 0.000 0.451 367 T N -2.342 112.192 114.554 -0.033 0.000 3.134 367 T HA 0.094 4.444 4.350 -0.001 0.000 0.260 367 T C 1.414 176.209 174.700 0.159 0.000 1.027 367 T CA 0.196 62.300 62.100 0.007 0.000 0.913 367 T CB 0.516 69.363 68.868 -0.035 0.000 1.046 367 T HN 0.231 nan 8.240 nan 0.000 0.553 368 S N 2.299 118.110 115.700 0.186 0.000 2.383 368 S HA -0.025 4.444 4.470 -0.001 0.000 0.229 368 S C -0.748 174.039 174.600 0.312 0.000 1.030 368 S CA 0.774 59.139 58.200 0.275 0.000 1.002 368 S CB -1.637 61.740 63.200 0.295 0.000 0.829 368 S HN 0.430 nan 8.310 nan 0.000 0.467 369 P HA -0.074 nan 4.420 nan 0.000 0.216 369 P C 1.631 179.059 177.300 0.214 0.000 1.153 369 P CA 1.119 64.368 63.100 0.248 0.000 0.844 369 P CB -0.188 31.652 31.700 0.234 0.000 0.787 370 Q N -1.653 118.276 119.800 0.215 0.000 2.472 370 Q HA -0.114 4.226 4.340 -0.001 0.000 0.208 370 Q C 1.795 177.879 176.000 0.140 0.000 0.958 370 Q CA 0.870 56.758 55.803 0.142 0.000 0.932 370 Q CB -1.105 27.693 28.738 0.100 0.000 1.007 370 Q HN 0.481 nan 8.270 nan 0.000 0.508 371 W N 1.342 122.670 121.300 0.047 0.000 2.580 371 W HA 0.129 4.788 4.660 -0.001 0.000 0.287 371 W C 1.422 177.968 176.519 0.045 0.000 1.175 371 W CA 0.351 57.724 57.345 0.046 0.000 1.409 371 W CB 0.154 29.657 29.460 0.072 0.000 1.101 371 W HN 0.075 nan 8.180 nan 0.000 0.558 372 L N 0.445 121.826 121.223 0.262 0.000 2.270 372 L HA 0.077 4.416 4.340 -0.001 0.000 0.210 372 L C 2.739 179.644 176.870 0.059 0.000 1.104 372 L CA 0.988 55.923 54.840 0.159 0.000 0.804 372 L CB -1.401 40.778 42.059 0.200 0.000 0.937 372 L HN -0.037 nan 8.230 nan 0.000 0.450 373 G N 1.447 110.281 108.800 0.057 0.000 2.529 373 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 373 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 373 G C -0.698 174.186 174.900 -0.028 0.000 1.177 373 G CA 0.924 46.039 45.100 0.025 0.000 0.773 373 G HN 0.299 nan 8.290 nan 0.000 0.573 374 P HA -0.046 nan 4.420 nan 0.000 0.215 374 P C 1.853 179.100 177.300 -0.089 0.000 1.153 374 P CA 0.703 63.727 63.100 -0.127 0.000 0.853 374 P CB -0.071 31.509 31.700 -0.201 0.000 0.788 375 L N -1.333 119.838 121.223 -0.087 0.000 2.046 375 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 375 L C 2.455 179.325 176.870 -0.000 0.000 1.077 375 L CA 1.640 56.450 54.840 -0.051 0.000 0.747 375 L CB -1.869 40.168 42.059 -0.036 0.000 0.896 375 L HN -0.140 nan 8.230 nan 0.000 0.432 376 V N -1.157 118.770 119.914 0.021 0.000 2.332 376 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 376 V C 2.729 178.861 176.094 0.063 0.000 1.055 376 V CA 1.906 64.238 62.300 0.054 0.000 1.038 376 V CB -0.689 31.166 31.823 0.054 0.000 0.651 376 V HN 0.550 nan 8.190 nan 0.000 0.450 377 S N -0.601 115.123 115.700 0.040 0.000 2.399 377 S HA -0.222 4.247 4.470 -0.001 0.000 0.231 377 S C 1.710 176.358 174.600 0.079 0.000 1.022 377 S CA 1.684 59.917 58.200 0.055 0.000 0.983 377 S CB -0.400 62.817 63.200 0.029 0.000 0.803 377 S HN 0.644 nan 8.310 nan 0.000 0.480 378 D N 1.096 121.521 120.400 0.041 0.000 2.149 378 D HA 0.036 4.676 4.640 -0.001 0.000 0.201 378 D C 1.924 178.285 176.300 0.101 0.000 0.972 378 D CA 0.754 54.779 54.000 0.041 0.000 0.835 378 D CB -0.287 40.501 40.800 -0.019 0.000 0.966 378 D HN 0.397 nan 8.370 nan 0.000 0.476 379 L N 0.471 121.747 121.223 0.087 0.000 2.141 379 L HA -0.063 4.277 4.340 -0.001 0.000 0.209 379 L C 2.401 179.416 176.870 0.242 0.000 1.094 379 L CA 0.661 55.556 54.840 0.092 0.000 0.763 379 L CB -0.227 41.864 42.059 0.054 0.000 0.908 379 L HN 0.019 nan 8.230 nan 0.000 0.437 380 I N -1.147 119.560 120.570 0.229 0.000 2.500 380 I HA -0.256 3.914 4.170 -0.001 0.000 0.252 380 I C 2.639 178.875 176.117 0.199 0.000 1.142 380 I CA 0.848 62.271 61.300 0.205 0.000 1.451 380 I CB -0.540 37.526 38.000 0.110 0.000 1.093 380 I HN 0.367 nan 8.210 nan 0.000 0.430 381 H N 1.796 120.920 119.070 0.091 0.000 2.395 381 H HA -0.046 4.509 4.556 -0.001 0.000 0.299 381 H C 2.169 177.542 175.328 0.075 0.000 1.070 381 H CA 1.647 57.735 56.048 0.067 0.000 1.356 381 H CB 0.323 30.108 29.762 0.037 0.000 1.401 381 H HN 0.279 nan 8.280 nan 0.000 0.524 382 A N 0.889 123.846 122.820 0.229 0.000 1.933 382 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 382 A C 2.373 180.009 177.584 0.088 0.000 1.175 382 A CA 1.446 53.566 52.037 0.140 0.000 0.628 382 A CB -0.970 18.087 19.000 0.095 0.000 0.814 382 A HN 0.581 nan 8.150 nan 0.000 0.444 383 H N -0.081 119.034 119.070 0.076 0.000 2.353 383 H HA -0.070 4.485 4.556 -0.001 0.000 0.300 383 H C 2.395 177.735 175.328 0.020 0.000 1.090 383 H CA 1.670 57.774 56.048 0.094 0.000 1.327 383 H CB -0.149 29.718 29.762 0.175 0.000 1.383 383 H HN 0.438 nan 8.280 nan 0.000 0.508 384 A N 0.336 123.221 122.820 0.108 0.000 1.902 384 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 384 A C 2.856 180.397 177.584 -0.072 0.000 1.181 384 A CA 1.663 53.700 52.037 0.001 0.000 0.623 384 A CB -0.843 18.106 19.000 -0.085 0.000 0.818 384 A HN 0.278 nan 8.150 nan 0.000 0.443 385 V N -0.379 119.466 119.914 -0.115 0.000 2.270 385 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 385 V C 2.473 178.527 176.094 -0.068 0.000 1.043 385 V CA 1.768 64.010 62.300 -0.096 0.000 1.014 385 V CB -0.788 30.995 31.823 -0.067 0.000 0.645 385 V HN 0.459 nan 8.190 nan 0.000 0.447 386 L N 0.891 122.070 121.223 -0.074 0.000 2.046 386 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 386 L C 2.899 179.706 176.870 -0.106 0.000 1.077 386 L CA 2.698 57.483 54.840 -0.092 0.000 0.747 386 L CB -1.559 40.430 42.059 -0.117 0.000 0.896 386 L HN 0.691 nan 8.230 nan 0.000 0.432 387 T N -2.873 111.605 114.554 -0.127 0.000 2.720 387 T HA -0.199 4.151 4.350 -0.001 0.000 0.268 387 T C 1.999 176.672 174.700 -0.047 0.000 1.037 387 T CA 1.560 63.608 62.100 -0.087 0.000 1.144 387 T CB -0.654 68.194 68.868 -0.033 0.000 0.864 387 T HN 0.272 nan 8.240 nan 0.000 0.444 388 I N 1.214 121.760 120.570 -0.040 0.000 2.315 388 I HA -0.086 4.084 4.170 -0.001 0.000 0.248 388 I C 2.899 178.988 176.117 -0.047 0.000 1.117 388 I CA 1.720 63.000 61.300 -0.033 0.000 1.404 388 I CB -0.405 37.575 38.000 -0.034 0.000 1.071 388 I HN 0.325 nan 8.210 nan 0.000 0.419 389 E N 1.495 121.664 120.200 -0.051 0.000 2.028 389 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 389 E C 2.142 178.711 176.600 -0.052 0.000 0.988 389 E CA 1.790 58.160 56.400 -0.050 0.000 0.799 389 E CB -0.188 29.485 29.700 -0.044 0.000 0.755 389 E HN 0.370 nan 8.360 nan 0.000 0.447 390 A N -0.480 122.308 122.820 -0.053 0.000 1.968 390 A HA 0.089 4.408 4.320 -0.001 0.000 0.217 390 A C 2.185 179.738 177.584 -0.052 0.000 1.169 390 A CA 1.491 53.499 52.037 -0.049 0.000 0.638 390 A CB -0.559 18.411 19.000 -0.051 0.000 0.812 390 A HN 0.374 nan 8.150 nan 0.000 0.446 391 G N -1.841 106.928 108.800 -0.052 0.000 3.192 391 G HA2 0.350 4.310 3.960 -0.001 0.000 0.239 391 G HA3 0.350 4.310 3.960 -0.001 0.000 0.239 391 G C 0.634 175.482 174.900 -0.087 0.000 1.084 391 G CA 0.327 45.396 45.100 -0.053 0.000 0.784 391 G HN 0.539 nan 8.290 nan 0.000 0.540 392 Q N 0.102 119.842 119.800 -0.100 0.000 2.013 392 Q HA 0.280 4.620 4.340 -0.001 0.000 0.233 392 Q C -0.800 175.111 176.000 -0.150 0.000 0.834 392 Q CA -0.133 55.578 55.803 -0.153 0.000 1.040 392 Q CB 1.393 30.115 28.738 -0.026 0.000 1.248 392 Q HN 0.159 nan 8.270 nan 0.000 0.425 393 S N 1.187 116.808 115.700 -0.132 0.000 2.538 393 S HA 0.476 4.945 4.470 -0.001 0.000 0.288 393 S C -0.267 174.273 174.600 -0.100 0.000 1.108 393 S CA -0.766 57.368 58.200 -0.111 0.000 0.971 393 S CB 1.773 64.924 63.200 -0.082 0.000 1.041 393 S HN 0.265 nan 8.310 nan 0.000 0.483 394 T N -0.512 113.977 114.554 -0.109 0.000 2.781 394 T HA 0.386 4.735 4.350 -0.001 0.000 0.305 394 T C 0.694 175.358 174.700 -0.060 0.000 1.001 394 T CA -0.688 61.370 62.100 -0.069 0.000 0.950 394 T CB 0.231 69.053 68.868 -0.075 0.000 0.955 394 T HN 0.582 nan 8.240 nan 0.000 0.471 395 T N -0.154 114.389 114.554 -0.018 0.000 3.287 395 T HA 0.242 4.591 4.350 -0.001 0.000 0.253 395 T C -0.188 174.567 174.700 0.091 0.000 0.975 395 T CA -0.662 61.444 62.100 0.010 0.000 0.912 395 T CB -0.285 68.596 68.868 0.022 0.000 1.071 395 T HN 0.555 nan 8.240 nan 0.000 0.578 396 D N 1.686 122.136 120.400 0.084 0.000 2.549 396 D HA 0.581 5.220 4.640 -0.001 0.000 0.270 396 D C -0.341 176.073 176.300 0.190 0.000 1.181 396 D CA -0.595 53.491 54.000 0.144 0.000 1.070 396 D CB 0.759 41.616 40.800 0.094 0.000 1.154 396 D HN 0.329 nan 8.370 nan 0.000 0.602 397 N N -1.040 117.793 118.700 0.222 0.000 2.635 397 N HA 0.296 5.036 4.740 -0.001 0.000 0.260 397 N C -2.989 172.636 175.510 0.193 0.000 1.078 397 N CA -0.858 52.336 53.050 0.240 0.000 1.012 397 N CB 1.840 40.612 38.487 0.475 0.000 1.677 397 N HN -0.061 nan 8.380 nan 0.000 0.514 398 P HA 0.351 nan 4.420 nan 0.000 0.288 398 P C -0.847 176.481 177.300 0.046 0.000 1.291 398 P CA -0.270 62.866 63.100 0.060 0.000 0.766 398 P CB 0.639 32.272 31.700 -0.111 0.000 1.242 399 L N -0.364 120.865 121.223 0.010 0.000 2.401 399 L HA 0.528 4.867 4.340 -0.001 0.000 0.266 399 L C -0.429 176.491 176.870 0.083 0.000 0.991 399 L CA -0.674 54.200 54.840 0.057 0.000 0.818 399 L CB 1.748 43.816 42.059 0.015 0.000 1.321 399 L HN 0.188 nan 8.230 nan 0.000 0.413 400 I N 1.375 122.018 120.570 0.123 0.000 2.441 400 I HA 0.250 4.420 4.170 -0.001 0.000 0.295 400 I C -0.682 175.482 176.117 0.079 0.000 0.994 400 I CA -0.325 61.021 61.300 0.076 0.000 1.144 400 I CB 1.988 40.027 38.000 0.065 0.000 1.314 400 I HN 0.512 nan 8.210 nan 0.000 0.445 401 D N 5.995 126.392 120.400 -0.006 0.000 2.505 401 D HA 0.216 4.855 4.640 -0.001 0.000 0.242 401 D C 0.865 177.009 176.300 -0.259 0.000 1.136 401 D CA -0.417 53.578 54.000 -0.009 0.000 0.954 401 D CB 1.016 41.889 40.800 0.120 0.000 1.002 401 D HN 0.248 nan 8.370 nan 0.000 0.512 402 V N 2.702 122.409 119.914 -0.344 0.000 2.231 402 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 402 V C 1.934 177.830 176.094 -0.330 0.000 1.054 402 V CA 1.993 63.981 62.300 -0.521 0.000 1.015 402 V CB -0.601 31.038 31.823 -0.306 0.000 0.638 402 V HN 0.657 nan 8.190 nan 0.000 0.444 403 E N 0.567 120.664 120.200 -0.172 0.000 2.506 403 E HA -0.096 4.253 4.350 -0.001 0.000 0.210 403 E C 0.248 176.803 176.600 -0.074 0.000 1.325 403 E CA 0.592 56.934 56.400 -0.097 0.000 1.273 403 E CB -0.554 29.111 29.700 -0.059 0.000 1.276 403 E HN 0.686 nan 8.360 nan 0.000 0.442 404 N N 0.681 119.316 118.700 -0.109 0.000 1.872 404 N HA 0.015 4.755 4.740 -0.001 0.000 0.223 404 N C -1.075 174.395 175.510 -0.065 0.000 1.424 404 N CA -0.173 52.845 53.050 -0.053 0.000 0.710 404 N CB 0.338 38.819 38.487 -0.010 0.000 1.074 404 N HN 0.079 nan 8.380 nan 0.000 0.544 405 K N 0.628 120.926 120.400 -0.170 0.000 3.451 405 K HA -0.151 4.168 4.320 -0.001 0.000 0.273 405 K C -1.194 175.448 176.600 0.069 0.000 0.944 405 K CA 1.215 57.468 56.287 -0.057 0.000 0.734 405 K CB -2.174 30.425 32.500 0.164 0.000 1.437 405 K HN 0.330 nan 8.250 nan 0.000 0.454 406 T N -2.023 112.477 114.554 -0.090 0.000 3.012 406 T HA 0.294 4.643 4.350 -0.001 0.000 0.330 406 T C -0.869 173.730 174.700 -0.167 0.000 1.321 406 T CA -0.881 61.182 62.100 -0.062 0.000 1.067 406 T CB 1.994 70.756 68.868 -0.176 0.000 1.235 406 T HN 0.088 nan 8.240 nan 0.000 0.479 407 S N 1.172 116.782 115.700 -0.150 0.000 2.489 407 S HA 0.530 5.000 4.470 -0.001 0.000 0.291 407 S C -0.999 173.321 174.600 -0.466 0.000 1.151 407 S CA -0.647 57.440 58.200 -0.189 0.000 1.082 407 S CB 0.247 63.411 63.200 -0.060 0.000 1.019 407 S HN 0.665 nan 8.310 nan 0.000 0.492 408 H N 3.311 122.255 119.070 -0.210 0.000 2.489 408 H HA 0.332 4.887 4.556 -0.001 0.000 0.343 408 H C -0.687 174.442 175.328 -0.331 0.000 1.086 408 H CA -0.517 55.410 56.048 -0.203 0.000 1.198 408 H CB 1.112 30.819 29.762 -0.092 0.000 1.490 408 H HN 0.666 nan 8.280 nan 0.000 0.504 409 H N 2.169 121.331 119.070 0.155 0.000 2.661 409 H HA 0.306 4.861 4.556 -0.001 0.000 0.290 409 H C 0.535 175.911 175.328 0.080 0.000 1.082 409 H CA -0.287 55.829 56.048 0.113 0.000 1.234 409 H CB 1.514 31.331 29.762 0.093 0.000 1.387 409 H HN 0.867 nan 8.280 nan 0.000 0.476 410 G N 1.069 109.937 108.800 0.113 0.000 3.356 410 G HA2 0.465 4.424 3.960 -0.001 0.000 0.178 410 G HA3 0.465 4.424 3.960 -0.001 0.000 0.178 410 G C 0.043 174.856 174.900 -0.145 0.000 1.130 410 G CA -0.293 44.802 45.100 -0.009 0.000 0.800 410 G HN 0.563 nan 8.290 nan 0.000 0.669 411 G N -0.047 108.515 108.800 -0.397 0.000 5.338 411 G HA2 0.201 4.161 3.960 -0.001 0.000 0.198 411 G HA3 0.201 4.161 3.960 -0.001 0.000 0.198 411 G C 0.014 174.336 174.900 -0.963 0.000 0.708 411 G CA -0.259 44.224 45.100 -1.028 0.000 0.626 411 G HN 0.235 nan 8.290 nan 0.000 0.419 412 N N 0.848 119.169 118.700 -0.632 0.000 2.575 412 N HA 0.015 4.755 4.740 -0.001 0.000 0.192 412 N C 1.382 176.747 175.510 -0.242 0.000 1.200 412 N CA 0.224 53.070 53.050 -0.341 0.000 0.897 412 N CB -0.139 38.234 38.487 -0.190 0.000 0.990 412 N HN 0.636 nan 8.380 nan 0.000 0.449 413 F N -0.448 119.500 119.950 -0.003 0.000 2.776 413 F HA 0.299 4.825 4.527 -0.001 0.000 0.300 413 F C 0.928 176.729 175.800 0.001 0.000 1.116 413 F CA -0.763 57.238 58.000 0.000 0.000 1.375 413 F CB -0.681 38.326 39.000 0.011 0.000 1.109 413 F HN -0.224 nan 8.300 nan 0.000 0.585 414 Q N 2.400 122.210 119.800 0.017 0.000 2.431 414 Q HA 0.420 4.760 4.340 -0.001 0.000 0.234 414 Q C 0.741 176.761 176.000 0.033 0.000 1.203 414 Q CA 0.007 55.858 55.803 0.081 0.000 0.902 414 Q CB 0.564 29.287 28.738 -0.024 0.000 1.455 414 Q HN 0.380 nan 8.270 nan 0.000 0.515 415 A N 3.614 126.473 122.820 0.065 0.000 2.150 415 A HA 0.186 4.506 4.320 -0.001 0.000 0.220 415 A C 1.631 179.227 177.584 0.019 0.000 1.356 415 A CA 0.734 52.791 52.037 0.033 0.000 1.145 415 A CB -0.761 18.263 19.000 0.040 0.000 0.826 415 A HN 0.845 nan 8.150 nan 0.000 0.524 416 A N 0.073 122.902 122.820 0.013 0.000 1.940 416 A HA 0.055 4.375 4.320 -0.001 0.000 0.219 416 A C 2.455 180.044 177.584 0.008 0.000 1.176 416 A CA 1.947 53.990 52.037 0.010 0.000 0.631 416 A CB -0.759 18.243 19.000 0.004 0.000 0.814 416 A HN 1.161 nan 8.150 nan 0.000 0.446 417 A N -0.032 122.789 122.820 0.002 0.000 1.865 417 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 417 A C 2.395 179.984 177.584 0.009 0.000 1.191 417 A CA 2.688 54.728 52.037 0.005 0.000 0.623 417 A CB -1.353 17.642 19.000 -0.010 0.000 0.826 417 A HN 1.253 nan 8.150 nan 0.000 0.444 418 V N -2.676 117.240 119.914 0.002 0.000 2.548 418 V HA 0.068 4.187 4.120 -0.001 0.000 0.249 418 V C 2.480 178.577 176.094 0.005 0.000 1.055 418 V CA 1.730 64.030 62.300 0.001 0.000 1.065 418 V CB -1.300 30.521 31.823 -0.004 0.000 0.681 418 V HN 0.548 nan 8.190 nan 0.000 0.462 419 A N 1.180 124.005 122.820 0.008 0.000 1.902 419 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 419 A C 2.310 179.899 177.584 0.008 0.000 1.181 419 A CA 1.963 54.005 52.037 0.008 0.000 0.623 419 A CB -1.059 17.948 19.000 0.012 0.000 0.818 419 A HN 0.688 nan 8.150 nan 0.000 0.443 420 N N 0.381 119.089 118.700 0.013 0.000 2.043 420 N HA -0.135 4.604 4.740 -0.001 0.000 0.193 420 N C 1.237 176.759 175.510 0.020 0.000 1.037 420 N CA 1.988 55.047 53.050 0.016 0.000 0.851 420 N CB -0.575 37.929 38.487 0.030 0.000 1.027 420 N HN 0.579 nan 8.380 nan 0.000 0.422 424 K N 0.238 120.628 120.400 -0.017 0.000 2.155 424 K HA 0.024 4.344 4.320 -0.001 0.000 0.203 424 K C 1.519 178.105 176.600 -0.022 0.000 1.052 424 K CA 1.639 57.911 56.287 -0.026 0.000 0.948 424 K CB -0.024 32.457 32.500 -0.032 0.000 0.728 424 K HN 0.090 nan 8.250 nan 0.000 0.448 425 T N 1.058 115.602 114.554 -0.016 0.000 2.777 425 T HA -0.112 4.237 4.350 -0.001 0.000 0.266 425 T C 1.867 176.560 174.700 -0.012 0.000 1.040 425 T CA 1.034 63.122 62.100 -0.020 0.000 1.141 425 T CB -0.072 68.779 68.868 -0.028 0.000 0.868 425 T HN 0.240 nan 8.240 nan 0.000 0.444 426 R N 0.278 120.773 120.500 -0.009 0.000 2.092 426 R HA -0.009 4.330 4.340 -0.001 0.000 0.231 426 R C 2.297 178.598 176.300 0.002 0.000 1.119 426 R CA 0.897 56.995 56.100 -0.003 0.000 0.970 426 R CB -0.372 29.924 30.300 -0.007 0.000 0.864 426 R HN 0.249 nan 8.270 nan 0.000 0.440 427 L N 0.006 121.224 121.223 -0.008 0.000 2.056 427 L HA 0.064 4.404 4.340 -0.001 0.000 0.207 427 L C 2.075 178.944 176.870 -0.001 0.000 1.078 427 L CA 2.212 57.047 54.840 -0.008 0.000 0.749 427 L CB -0.938 41.105 42.059 -0.027 0.000 0.901 427 L HN 0.236 nan 8.230 nan 0.000 0.433 428 G N -0.282 108.513 108.800 -0.009 0.000 2.418 428 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.217 428 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.217 428 G C 1.593 176.517 174.900 0.040 0.000 1.158 428 G CA 1.085 46.184 45.100 -0.001 0.000 0.771 428 G HN 0.437 nan 8.290 nan 0.000 0.545 429 L N 0.602 121.848 121.223 0.038 0.000 2.079 429 L HA -0.116 4.224 4.340 -0.001 0.000 0.210 429 L C 3.365 180.287 176.870 0.087 0.000 1.081 429 L CA 1.084 55.959 54.840 0.059 0.000 0.752 429 L CB -0.426 41.657 42.059 0.041 0.000 0.896 429 L HN 0.331 nan 8.230 nan 0.000 0.433 430 A N -0.838 122.029 122.820 0.078 0.000 1.929 430 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 430 A C 2.258 179.940 177.584 0.164 0.000 1.176 430 A CA 0.931 53.028 52.037 0.101 0.000 0.628 430 A CB -0.241 18.803 19.000 0.074 0.000 0.816 430 A HN 0.349 nan 8.150 nan 0.000 0.444 431 Q N -0.028 119.872 119.800 0.166 0.000 2.119 431 Q HA -0.064 4.275 4.340 -0.001 0.000 0.201 431 Q C 2.090 178.363 176.000 0.454 0.000 0.972 431 Q CA 1.209 57.193 55.803 0.301 0.000 0.847 431 Q CB -0.490 28.287 28.738 0.064 0.000 0.903 431 Q HN 0.772 nan 8.270 nan 0.000 0.433 432 I N 0.185 120.924 120.570 0.281 0.000 2.142 432 I HA -0.198 3.971 4.170 -0.001 0.000 0.240 432 I C 2.335 178.600 176.117 0.247 0.000 1.078 432 I CA 1.279 62.741 61.300 0.269 0.000 1.343 432 I CB -0.820 37.285 38.000 0.176 0.000 1.046 432 I HN 0.227 nan 8.210 nan 0.000 0.405 433 G N 0.889 109.811 108.800 0.204 0.000 2.469 433 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.219 433 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.219 433 G C 1.782 176.815 174.900 0.220 0.000 1.150 433 G CA 0.703 45.919 45.100 0.193 0.000 0.763 433 G HN 0.148 nan 8.290 nan 0.000 0.561 434 K N -0.057 120.479 120.400 0.226 0.000 2.026 434 K HA -0.017 4.302 4.320 -0.001 0.000 0.208 434 K C 2.520 179.205 176.600 0.142 0.000 1.048 434 K CA 1.036 57.457 56.287 0.223 0.000 0.929 434 K CB -0.653 32.004 32.500 0.261 0.000 0.713 434 K HN 0.333 nan 8.250 nan 0.000 0.439 435 L N 2.191 123.455 121.223 0.070 0.000 1.970 435 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 435 L C 1.703 178.572 176.870 -0.003 0.000 1.071 435 L CA 1.889 56.641 54.840 -0.146 0.000 0.751 435 L CB -0.826 41.165 42.059 -0.114 0.000 0.889 435 L HN 0.188 nan 8.230 nan 0.000 0.432 436 N N -0.928 117.849 118.700 0.128 0.000 2.289 436 N HA -0.221 4.518 4.740 -0.001 0.000 0.184 436 N C 1.822 177.349 175.510 0.028 0.000 1.016 436 N CA 1.558 54.719 53.050 0.184 0.000 0.872 436 N CB -0.453 38.238 38.487 0.340 0.000 0.973 436 N HN 0.463 nan 8.380 nan 0.000 0.433 437 F N 2.470 122.396 119.950 -0.040 0.000 2.113 437 F HA -0.149 4.378 4.527 -0.001 0.000 0.297 437 F C 2.520 178.247 175.800 -0.122 0.000 1.103 437 F CA 1.761 59.710 58.000 -0.085 0.000 1.248 437 F CB -0.913 38.069 39.000 -0.029 0.000 0.999 437 F HN 0.033 nan 8.300 nan 0.000 0.475 438 T N -1.479 112.895 114.554 -0.300 0.000 2.833 438 T HA -0.208 4.142 4.350 -0.001 0.000 0.269 438 T C 1.737 176.234 174.700 -0.338 0.000 1.054 438 T CA 1.555 63.417 62.100 -0.396 0.000 1.135 438 T CB -0.658 68.084 68.868 -0.210 0.000 0.869 438 T HN 0.516 nan 8.240 nan 0.000 0.466 439 Q N 0.475 120.134 119.800 -0.235 0.000 2.020 439 Q HA 0.088 4.428 4.340 -0.001 0.000 0.198 439 Q C 2.402 178.250 176.000 -0.253 0.000 0.974 439 Q CA 1.255 56.965 55.803 -0.154 0.000 0.829 439 Q CB -0.417 28.325 28.738 0.007 0.000 0.894 439 Q HN 0.420 nan 8.270 nan 0.000 0.433 440 L N 0.655 121.606 121.223 -0.454 0.000 1.989 440 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 440 L C 2.421 179.068 176.870 -0.371 0.000 1.071 440 L CA 2.216 56.751 54.840 -0.509 0.000 0.749 440 L CB -0.950 40.699 42.059 -0.684 0.000 0.890 440 L HN 0.165 nan 8.230 nan 0.000 0.431 441 T N -0.969 113.270 114.554 -0.525 0.000 2.881 441 T HA -0.161 4.189 4.350 -0.001 0.000 0.270 441 T C 1.033 175.552 174.700 -0.302 0.000 1.068 441 T CA 0.823 62.643 62.100 -0.467 0.000 1.131 441 T CB -0.272 68.114 68.868 -0.803 0.000 0.871 441 T HN 0.587 nan 8.240 nan 0.000 0.479 445 N N 0.586 119.237 118.700 -0.082 0.000 2.462 445 N HA 0.514 5.253 4.740 -0.001 0.000 0.242 445 N C 1.351 176.830 175.510 -0.052 0.000 1.010 445 N CA 0.691 53.701 53.050 -0.066 0.000 0.939 445 N CB 1.456 39.895 38.487 -0.080 0.000 1.127 445 N HN 0.208 nan 8.380 nan 0.000 0.509 446 A N 2.861 125.659 122.820 -0.036 0.000 1.997 446 A HA -0.057 4.263 4.320 -0.001 0.000 0.221 446 A C 1.287 178.851 177.584 -0.034 0.000 1.172 446 A CA 1.688 53.707 52.037 -0.030 0.000 0.645 446 A CB -1.085 17.909 19.000 -0.010 0.000 0.813 446 A HN 0.638 nan 8.150 nan 0.000 0.454 450 R N 0.683 121.154 120.500 -0.049 0.000 3.225 450 R HA -0.132 4.207 4.340 -0.001 0.000 0.245 450 R C 0.918 177.181 176.300 -0.062 0.000 0.928 450 R CA 1.121 57.194 56.100 -0.044 0.000 0.632 450 R CB -2.015 28.266 30.300 -0.032 0.000 1.038 450 R HN 0.965 nan 8.270 nan 0.000 0.461 451 G N -0.904 107.852 108.800 -0.074 0.000 2.175 451 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.244 451 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.244 451 G C 0.299 175.133 174.900 -0.111 0.000 0.982 451 G CA 0.088 45.131 45.100 -0.096 0.000 0.641 451 G HN 0.278 nan 8.290 nan 0.000 0.527 452 L N 1.409 122.570 121.223 -0.104 0.000 2.467 452 L HA 0.338 4.678 4.340 -0.001 0.000 0.270 452 L C -1.667 175.153 176.870 -0.084 0.000 1.205 452 L CA -1.758 53.018 54.840 -0.107 0.000 0.828 452 L CB 0.466 42.462 42.059 -0.105 0.000 1.101 452 L HN -0.088 nan 8.230 nan 0.000 0.479 453 P HA 0.005 nan 4.420 nan 0.000 0.267 453 P C 0.542 177.831 177.300 -0.018 0.000 1.205 453 P CA 0.254 63.324 63.100 -0.050 0.000 0.765 453 P CB 1.146 32.821 31.700 -0.041 0.000 0.828 454 S N 2.543 118.240 115.700 -0.005 0.000 2.337 454 S HA -0.318 4.152 4.470 -0.001 0.000 0.399 454 S C 1.007 175.631 174.600 0.040 0.000 1.134 454 S CA 2.181 60.396 58.200 0.026 0.000 2.090 454 S CB -0.940 62.293 63.200 0.055 0.000 1.665 454 S HN 0.625 nan 8.310 nan 0.000 0.502 455 C N 0.907 120.249 119.300 0.071 0.000 2.638 455 C HA 0.589 5.049 4.460 -0.001 0.000 0.282 455 C C 0.247 175.289 174.990 0.087 0.000 1.473 455 C CA -0.374 58.696 59.018 0.086 0.000 1.781 455 C CB -0.756 27.081 27.740 0.162 0.000 2.780 455 C HN 0.712 nan 8.230 nan 0.000 0.531 456 L N 0.374 121.634 121.223 0.061 0.000 4.089 456 L HA -0.205 4.134 4.340 -0.001 0.000 0.408 456 L C 0.964 177.983 176.870 0.249 0.000 1.184 456 L CA 0.981 55.874 54.840 0.088 0.000 0.947 456 L CB -1.925 40.144 42.059 0.017 0.000 2.066 456 L HN 0.598 nan 8.230 nan 0.000 0.851 457 A N -0.805 122.113 122.820 0.163 0.000 2.401 457 A HA 0.709 5.028 4.320 -0.001 0.000 0.259 457 A C 1.511 179.124 177.584 0.047 0.000 1.103 457 A CA 0.363 52.465 52.037 0.109 0.000 0.789 457 A CB 0.770 19.768 19.000 -0.003 0.000 1.035 457 A HN 0.695 nan 8.150 nan 0.000 0.491 458 A N 1.986 124.828 122.820 0.036 0.000 1.873 458 A HA 0.045 4.365 4.320 -0.001 0.000 0.215 458 A C 1.338 178.876 177.584 -0.076 0.000 1.186 458 A CA 1.222 53.302 52.037 0.071 0.000 0.616 458 A CB -0.302 18.828 19.000 0.216 0.000 0.823 458 A HN 0.801 nan 8.150 nan 0.000 0.442 459 E N 0.410 120.475 120.200 -0.225 0.000 3.552 459 E HA 0.235 4.585 4.350 -0.001 0.000 0.264 459 E C -0.880 175.589 176.600 -0.219 0.000 1.170 459 E CA -0.787 55.397 56.400 -0.359 0.000 1.313 459 E CB -0.480 28.789 29.700 -0.719 0.000 1.522 459 E HN 0.223 nan 8.360 nan 0.000 0.653 460 D N 1.586 121.862 120.400 -0.207 0.000 2.493 460 D HA 0.019 4.658 4.640 -0.001 0.000 0.240 460 D C -1.608 174.605 176.300 -0.145 0.000 1.142 460 D CA -0.941 52.985 54.000 -0.124 0.000 0.872 460 D CB 0.398 41.152 40.800 -0.076 0.000 1.173 460 D HN 0.034 nan 8.370 nan 0.000 0.467 461 P HA -0.103 nan 4.420 nan 0.000 0.218 461 P C 1.239 178.401 177.300 -0.229 0.000 1.149 461 P CA 0.882 63.897 63.100 -0.143 0.000 0.817 461 P CB 0.295 31.976 31.700 -0.032 0.000 0.785 462 S N -0.353 115.276 115.700 -0.118 0.000 2.378 462 S HA -0.168 4.302 4.470 -0.001 0.000 0.229 462 S C 1.316 175.812 174.600 -0.172 0.000 1.052 462 S CA 1.279 59.440 58.200 -0.067 0.000 1.084 462 S CB -0.977 62.204 63.200 -0.032 0.000 0.950 462 S HN 0.167 nan 8.310 nan 0.000 0.440 463 L N 0.719 121.799 121.223 -0.239 0.000 3.062 463 L HA 0.391 4.731 4.340 -0.001 0.000 0.255 463 L C -0.018 176.610 176.870 -0.404 0.000 1.274 463 L CA -0.160 54.528 54.840 -0.254 0.000 1.047 463 L CB 0.680 42.685 42.059 -0.090 0.000 1.402 463 L HN 0.053 nan 8.230 nan 0.000 0.550 464 S N -0.609 114.646 115.700 -0.741 0.000 2.689 464 S HA 0.452 4.922 4.470 -0.001 0.000 0.274 464 S C -0.997 173.180 174.600 -0.706 0.000 1.176 464 S CA -0.293 57.576 58.200 -0.551 0.000 1.014 464 S CB 0.636 63.673 63.200 -0.272 0.000 1.071 464 S HN 0.223 nan 8.310 nan 0.000 0.478 465 Y N 4.094 124.430 120.300 0.061 0.000 2.672 465 Y HA 0.338 4.887 4.550 -0.001 0.000 0.272 465 Y C 1.405 177.382 175.900 0.128 0.000 1.055 465 Y CA -0.644 57.497 58.100 0.069 0.000 1.151 465 Y CB -0.829 37.653 38.460 0.036 0.000 1.190 465 Y HN 0.932 nan 8.280 nan 0.000 0.574 466 H N -0.012 119.110 119.070 0.087 0.000 2.007 466 H HA -0.365 4.190 4.556 -0.001 0.000 0.209 466 H C 0.605 176.009 175.328 0.127 0.000 1.148 466 H CA 2.297 58.408 56.048 0.106 0.000 1.527 466 H CB -0.079 29.747 29.762 0.106 0.000 1.837 466 H HN 0.424 nan 8.280 nan 0.000 0.772 467 C N 0.998 120.341 119.300 0.071 0.000 2.525 467 C HA 0.143 4.603 4.460 -0.001 0.000 0.313 467 C C 2.034 177.037 174.990 0.022 0.000 1.311 467 C CA -0.448 58.551 59.018 -0.030 0.000 1.725 467 C CB -0.752 26.925 27.740 -0.106 0.000 1.926 467 C HN 0.480 nan 8.230 nan 0.000 0.595 468 K N 2.315 122.760 120.400 0.076 0.000 2.002 468 K HA -0.058 4.262 4.320 -0.001 0.000 0.209 468 K C 2.152 178.757 176.600 0.007 0.000 1.048 468 K CA 2.048 58.363 56.287 0.047 0.000 0.930 468 K CB -0.718 31.825 32.500 0.071 0.000 0.714 468 K HN 0.427 nan 8.250 nan 0.000 0.438 469 G N 0.341 109.148 108.800 0.012 0.000 2.432 469 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 469 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 469 G C 1.427 176.297 174.900 -0.049 0.000 1.135 469 G CA 0.861 45.947 45.100 -0.022 0.000 0.767 469 G HN 0.270 nan 8.290 nan 0.000 0.550 470 L N 0.158 121.357 121.223 -0.040 0.000 2.217 470 L HA -0.001 4.338 4.340 -0.001 0.000 0.211 470 L C 2.451 179.305 176.870 -0.027 0.000 1.107 470 L CA 0.953 55.767 54.840 -0.044 0.000 0.783 470 L CB -0.261 41.776 42.059 -0.036 0.000 0.919 470 L HN 0.150 nan 8.230 nan 0.000 0.442 471 D N 0.881 121.271 120.400 -0.017 0.000 2.117 471 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 471 D C 2.178 178.498 176.300 0.033 0.000 0.982 471 D CA 1.319 55.324 54.000 0.008 0.000 0.828 471 D CB 0.072 40.864 40.800 -0.013 0.000 0.967 471 D HN 0.237 nan 8.370 nan 0.000 0.464 472 I N 0.421 120.974 120.570 -0.027 0.000 2.315 472 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 472 I C 2.447 178.463 176.117 -0.170 0.000 1.117 472 I CA 0.997 62.257 61.300 -0.066 0.000 1.404 472 I CB -0.211 37.746 38.000 -0.073 0.000 1.071 472 I HN -0.001 nan 8.210 nan 0.000 0.419 473 A N 0.680 123.357 122.820 -0.238 0.000 1.930 473 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 473 A C 2.546 179.670 177.584 -0.767 0.000 1.175 473 A CA 1.620 53.332 52.037 -0.542 0.000 0.627 473 A CB -0.722 18.008 19.000 -0.449 0.000 0.815 473 A HN 0.415 nan 8.150 nan 0.000 0.443 474 A N 0.008 122.664 122.820 -0.274 0.000 1.908 474 A HA 0.117 4.437 4.320 -0.001 0.000 0.218 474 A C 2.490 179.971 177.584 -0.171 0.000 1.181 474 A CA 2.158 54.192 52.037 -0.005 0.000 0.627 474 A CB -0.974 18.201 19.000 0.291 0.000 0.818 474 A HN 1.043 nan 8.150 nan 0.000 0.445 475 A N -0.315 122.369 122.820 -0.227 0.000 1.930 475 A HA 0.222 4.541 4.320 -0.001 0.000 0.217 475 A C 2.490 179.827 177.584 -0.413 0.000 1.175 475 A CA 1.900 53.591 52.037 -0.577 0.000 0.627 475 A CB -0.952 17.908 19.000 -0.234 0.000 0.815 475 A HN 1.029 nan 8.150 nan 0.000 0.443 476 A N -0.904 121.708 122.820 -0.347 0.000 1.877 476 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 476 A C 2.116 179.603 177.584 -0.160 0.000 1.186 476 A CA 1.532 53.401 52.037 -0.281 0.000 0.620 476 A CB -0.924 17.865 19.000 -0.351 0.000 0.822 476 A HN 0.677 nan 8.150 nan 0.000 0.443 477 Y N 0.048 120.284 120.300 -0.106 0.000 2.242 477 Y HA -0.167 4.383 4.550 -0.001 0.000 0.291 477 Y C 2.988 178.833 175.900 -0.092 0.000 1.137 477 Y CA 1.044 59.100 58.100 -0.073 0.000 1.181 477 Y CB -0.613 37.826 38.460 -0.035 0.000 0.989 477 Y HN 0.266 nan 8.280 nan 0.000 0.527 478 T N -0.668 113.861 114.554 -0.043 0.000 2.746 478 T HA -0.181 4.169 4.350 -0.001 0.000 0.267 478 T C 2.071 176.708 174.700 -0.106 0.000 1.039 478 T CA 1.581 63.602 62.100 -0.132 0.000 1.142 478 T CB -0.388 68.204 68.868 -0.461 0.000 0.866 478 T HN 0.266 nan 8.240 nan 0.000 0.444 479 S N 0.957 116.568 115.700 -0.148 0.000 2.370 479 S HA -0.152 4.318 4.470 -0.001 0.000 0.226 479 S C 2.059 176.653 174.600 -0.009 0.000 1.033 479 S CA 1.282 59.430 58.200 -0.085 0.000 1.011 479 S CB -0.317 62.821 63.200 -0.105 0.000 0.852 479 S HN 0.603 nan 8.310 nan 0.000 0.457 480 E N 0.922 121.127 120.200 0.009 0.000 2.077 480 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 480 E C 1.951 178.601 176.600 0.083 0.000 0.989 480 E CA 0.833 57.266 56.400 0.054 0.000 0.800 480 E CB -0.172 29.568 29.700 0.066 0.000 0.746 480 E HN 0.422 nan 8.360 nan 0.000 0.452 481 L N -0.022 121.239 121.223 0.064 0.000 2.127 481 L HA -0.143 4.197 4.340 -0.001 0.000 0.211 481 L C 2.522 179.429 176.870 0.062 0.000 1.089 481 L CA 1.144 56.022 54.840 0.064 0.000 0.757 481 L CB -0.587 41.511 42.059 0.064 0.000 0.899 481 L HN 0.314 nan 8.230 nan 0.000 0.434 482 G N -1.025 107.812 108.800 0.061 0.000 2.421 482 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.216 482 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.216 482 G C 1.362 176.306 174.900 0.074 0.000 1.171 482 G CA 1.078 46.215 45.100 0.062 0.000 0.775 482 G HN 0.482 nan 8.290 nan 0.000 0.543 483 H N 0.259 119.331 119.070 0.003 0.000 2.389 483 H HA 0.147 4.702 4.556 -0.001 0.000 0.299 483 H C 2.436 177.766 175.328 0.004 0.000 1.081 483 H CA 1.135 57.184 56.048 0.002 0.000 1.345 483 H CB -0.231 29.527 29.762 -0.006 0.000 1.393 483 H HN 0.268 nan 8.280 nan 0.000 0.520 484 L N -0.030 121.196 121.223 0.005 0.000 2.083 484 L HA -0.122 4.218 4.340 -0.001 0.000 0.209 484 L C 2.675 179.496 176.870 -0.082 0.000 1.083 484 L CA 0.967 55.776 54.840 -0.052 0.000 0.752 484 L CB -0.547 41.532 42.059 0.033 0.000 0.899 484 L HN 0.481 nan 8.230 nan 0.000 0.433 485 A N -0.681 122.114 122.820 -0.042 0.000 2.172 485 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 485 A C 0.887 178.443 177.584 -0.047 0.000 1.154 485 A CA 0.445 52.464 52.037 -0.030 0.000 0.701 485 A CB -0.662 18.338 19.000 -0.000 0.000 0.789 485 A HN 0.392 nan 8.150 nan 0.000 0.465 486 N N 1.259 119.906 118.700 -0.088 0.000 2.441 486 N HA 0.172 4.912 4.740 -0.001 0.000 0.251 486 N C -2.554 172.934 175.510 -0.037 0.000 1.242 486 N CA -0.949 52.063 53.050 -0.064 0.000 0.898 486 N CB 0.128 38.557 38.487 -0.097 0.000 1.100 486 N HN 0.263 nan 8.380 nan 0.000 0.443 487 P HA 0.045 nan 4.420 nan 0.000 0.272 487 P C 0.320 177.669 177.300 0.083 0.000 1.223 487 P CA -0.183 62.930 63.100 0.021 0.000 0.784 487 P CB 1.075 32.778 31.700 0.005 0.000 0.923 488 V N 1.321 121.278 119.914 0.072 0.000 3.379 488 V HA -0.074 4.046 4.120 -0.001 0.000 0.249 488 V C 2.463 178.636 176.094 0.133 0.000 1.184 488 V CA 1.826 64.199 62.300 0.121 0.000 1.106 488 V CB -0.989 30.858 31.823 0.041 0.000 0.826 488 V HN 0.684 nan 8.190 nan 0.000 0.465 489 T N -1.310 113.278 114.554 0.056 0.000 3.098 489 T HA -0.146 4.204 4.350 -0.001 0.000 0.266 489 T C 1.514 176.205 174.700 -0.016 0.000 1.145 489 T CA 1.544 63.658 62.100 0.023 0.000 1.092 489 T CB -0.609 68.262 68.868 0.006 0.000 0.908 489 T HN 0.578 nan 8.240 nan 0.000 0.526 490 T N -1.792 112.722 114.554 -0.067 0.000 3.107 490 T HA 0.135 4.485 4.350 -0.001 0.000 0.249 490 T C 0.677 175.149 174.700 -0.380 0.000 1.096 490 T CA 0.011 61.982 62.100 -0.215 0.000 1.012 490 T CB -0.532 68.165 68.868 -0.284 0.000 0.977 490 T HN 0.597 nan 8.240 nan 0.000 0.527 491 H N 0.446 119.509 119.070 -0.011 0.000 2.503 491 H HA 0.511 5.067 4.556 -0.001 0.000 0.296 491 H C -0.058 175.267 175.328 -0.005 0.000 1.097 491 H CA -0.528 55.515 56.048 -0.009 0.000 1.055 491 H CB -0.008 29.747 29.762 -0.011 0.000 1.580 491 H HN 0.162 nan 8.280 nan 0.000 0.546 492 V N 2.151 122.087 119.914 0.037 0.000 2.599 492 V HA -0.030 4.090 4.120 -0.001 0.000 0.300 492 V C 0.341 176.452 176.094 0.028 0.000 1.034 492 V CA 0.137 62.456 62.300 0.032 0.000 1.115 492 V CB 0.812 32.643 31.823 0.012 0.000 0.934 492 V HN 0.458 nan 8.190 nan 0.000 0.485 493 Q N 6.395 126.213 119.800 0.030 0.000 2.297 493 Q HA 0.381 4.720 4.340 -0.001 0.000 0.268 493 Q C -2.189 173.820 176.000 0.015 0.000 1.045 493 Q CA -2.200 53.617 55.803 0.023 0.000 0.861 493 Q CB 1.432 30.184 28.738 0.024 0.000 1.344 493 Q HN 0.456 nan 8.270 nan 0.000 0.452 494 P HA 0.058 nan 4.420 nan 0.000 0.246 494 P C -0.312 176.991 177.300 0.004 0.000 1.675 494 P CA 0.210 63.314 63.100 0.007 0.000 0.908 494 P CB -0.584 31.119 31.700 0.005 0.000 1.890 495 A N 0.830 123.653 122.820 0.006 0.000 2.521 495 A HA -0.008 4.312 4.320 -0.001 0.000 0.237 495 A C 0.867 178.446 177.584 -0.009 0.000 1.087 495 A CA 0.160 52.196 52.037 -0.001 0.000 0.777 495 A CB -0.329 18.672 19.000 0.001 0.000 1.035 495 A HN 0.526 nan 8.150 nan 0.000 0.510 499 N N 0.348 119.048 118.700 -0.000 0.000 2.223 499 N HA -0.134 4.606 4.740 -0.001 0.000 0.185 499 N C 0.736 176.259 175.510 0.021 0.000 1.016 499 N CA 1.077 54.132 53.050 0.007 0.000 0.863 499 N CB -0.058 38.426 38.487 -0.005 0.000 0.983 499 N HN 0.587 nan 8.380 nan 0.000 0.429 500 Q N 0.213 120.021 119.800 0.013 0.000 2.526 500 Q HA 0.332 4.671 4.340 -0.001 0.000 0.353 500 Q C 0.669 176.685 176.000 0.027 0.000 0.977 500 Q CA -0.450 55.369 55.803 0.027 0.000 1.027 500 Q CB 0.838 29.581 28.738 0.008 0.000 1.272 500 Q HN 0.306 nan 8.270 nan 0.000 0.420 501 A N 0.552 123.387 122.820 0.025 0.000 2.084 501 A HA -0.068 4.251 4.320 -0.001 0.000 0.221 501 A C 1.086 178.684 177.584 0.022 0.000 1.161 501 A CA 1.101 53.149 52.037 0.020 0.000 0.653 501 A CB -0.057 18.953 19.000 0.016 0.000 0.802 501 A HN 0.327 nan 8.150 nan 0.000 0.457 502 V N -1.299 118.635 119.914 0.034 0.000 2.577 502 V HA 0.703 4.823 4.120 -0.001 0.000 0.303 502 V C -1.285 174.839 176.094 0.050 0.000 1.042 502 V CA -0.759 61.561 62.300 0.033 0.000 0.872 502 V CB 1.194 33.034 31.823 0.028 0.000 0.998 502 V HN 0.556 nan 8.190 nan 0.000 0.423 503 N N 1.678 120.405 118.700 0.045 0.000 2.264 503 N HA 0.475 5.215 4.740 -0.001 0.000 0.288 503 N C 0.627 176.164 175.510 0.045 0.000 1.094 503 N CA -0.236 52.848 53.050 0.056 0.000 0.817 503 N CB 2.080 40.595 38.487 0.047 0.000 1.604 503 N HN 0.643 nan 8.380 nan 0.000 0.473 504 S N 1.998 117.728 115.700 0.051 0.000 2.402 504 S HA -0.101 4.368 4.470 -0.001 0.000 0.229 504 S C 0.976 175.594 174.600 0.030 0.000 1.021 504 S CA 0.661 58.883 58.200 0.037 0.000 0.974 504 S CB -0.778 62.446 63.200 0.039 0.000 0.800 504 S HN 0.676 nan 8.310 nan 0.000 0.484 505 L N -0.615 120.626 121.223 0.031 0.000 4.232 505 L HA -0.290 4.050 4.340 -0.001 0.000 0.415 505 L C 1.803 178.683 176.870 0.017 0.000 1.168 505 L CA 0.113 54.968 54.840 0.024 0.000 0.966 505 L CB -2.462 39.615 42.059 0.030 0.000 2.052 505 L HN 0.498 nan 8.230 nan 0.000 0.887 506 A N 0.117 122.948 122.820 0.018 0.000 1.873 506 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 506 A C 1.894 179.481 177.584 0.004 0.000 1.193 506 A CA 2.245 54.289 52.037 0.012 0.000 0.629 506 A CB -0.230 18.779 19.000 0.015 0.000 0.826 506 A HN 0.417 nan 8.150 nan 0.000 0.447 507 L N -0.014 121.210 121.223 0.002 0.000 2.046 507 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 507 L C 2.318 179.182 176.870 -0.010 0.000 1.077 507 L CA 1.746 56.582 54.840 -0.007 0.000 0.747 507 L CB -0.440 41.612 42.059 -0.011 0.000 0.896 507 L HN 0.474 nan 8.230 nan 0.000 0.432 508 I N -1.599 118.966 120.570 -0.008 0.000 2.208 508 I HA -0.326 3.844 4.170 -0.001 0.000 0.245 508 I C 2.656 178.767 176.117 -0.010 0.000 1.097 508 I CA 1.563 62.856 61.300 -0.012 0.000 1.363 508 I CB -0.581 37.413 38.000 -0.009 0.000 1.051 508 I HN 0.305 nan 8.210 nan 0.000 0.413 509 S N 0.457 116.154 115.700 -0.004 0.000 2.368 509 S HA -0.155 4.315 4.470 -0.001 0.000 0.224 509 S C 2.239 176.835 174.600 -0.007 0.000 1.029 509 S CA 1.344 59.541 58.200 -0.004 0.000 0.988 509 S CB -0.222 62.978 63.200 0.001 0.000 0.838 509 S HN 0.470 nan 8.310 nan 0.000 0.462 510 A N 1.790 124.605 122.820 -0.007 0.000 1.908 510 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 510 A C 2.218 179.796 177.584 -0.010 0.000 1.181 510 A CA 1.621 53.653 52.037 -0.009 0.000 0.627 510 A CB -0.679 18.315 19.000 -0.010 0.000 0.818 510 A HN 0.613 nan 8.150 nan 0.000 0.445 511 R N -1.105 119.387 120.500 -0.013 0.000 2.091 511 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 511 R C 2.410 178.704 176.300 -0.009 0.000 1.136 511 R CA 1.441 57.532 56.100 -0.014 0.000 0.959 511 R CB -0.277 30.012 30.300 -0.019 0.000 0.856 511 R HN 0.341 nan 8.270 nan 0.000 0.437 512 R N -0.116 120.378 120.500 -0.010 0.000 2.075 512 R HA -0.032 4.308 4.340 -0.001 0.000 0.232 512 R C 2.210 178.509 176.300 -0.002 0.000 1.126 512 R CA 1.510 57.605 56.100 -0.008 0.000 0.963 512 R CB -1.005 29.285 30.300 -0.017 0.000 0.858 512 R HN 0.259 nan 8.270 nan 0.000 0.435 513 T N 0.744 115.296 114.554 -0.004 0.000 2.788 513 T HA -0.099 4.251 4.350 -0.001 0.000 0.268 513 T C 1.780 176.483 174.700 0.005 0.000 1.044 513 T CA 1.862 63.962 62.100 -0.001 0.000 1.139 513 T CB -0.252 68.613 68.868 -0.006 0.000 0.867 513 T HN 0.291 nan 8.240 nan 0.000 0.454 514 T N 1.495 116.051 114.554 0.003 0.000 2.788 514 T HA -0.111 4.239 4.350 -0.001 0.000 0.268 514 T C 1.930 176.639 174.700 0.015 0.000 1.044 514 T CA 1.402 63.506 62.100 0.008 0.000 1.139 514 T CB -0.214 68.655 68.868 0.001 0.000 0.867 514 T HN 0.573 nan 8.240 nan 0.000 0.454 515 E N 0.589 120.797 120.200 0.013 0.000 2.150 515 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 515 E C 2.198 178.813 176.600 0.025 0.000 0.985 515 E CA 1.052 57.464 56.400 0.020 0.000 0.814 515 E CB -0.031 29.680 29.700 0.018 0.000 0.752 515 E HN 0.318 nan 8.360 nan 0.000 0.466 516 S N 0.717 116.431 115.700 0.024 0.000 2.402 516 S HA -0.089 4.381 4.470 -0.001 0.000 0.229 516 S C 1.617 176.237 174.600 0.033 0.000 1.021 516 S CA 0.727 58.945 58.200 0.029 0.000 0.974 516 S CB -0.262 62.953 63.200 0.026 0.000 0.800 516 S HN 0.322 nan 8.310 nan 0.000 0.484 517 N N 1.721 120.439 118.700 0.030 0.000 2.069 517 N HA -0.125 4.615 4.740 -0.001 0.000 0.191 517 N C 1.473 177.013 175.510 0.049 0.000 1.031 517 N CA 1.372 54.443 53.050 0.035 0.000 0.852 517 N CB -0.698 37.807 38.487 0.030 0.000 1.018 517 N HN 0.348 nan 8.380 nan 0.000 0.423 518 D N 0.094 120.527 120.400 0.054 0.000 2.092 518 D HA -0.128 4.512 4.640 -0.001 0.000 0.193 518 D C 1.980 178.321 176.300 0.069 0.000 0.994 518 D CA 1.591 55.647 54.000 0.094 0.000 0.828 518 D CB -0.045 40.804 40.800 0.083 0.000 0.963 518 D HN 0.151 nan 8.370 nan 0.000 0.450 519 V N -0.745 119.170 119.914 0.002 0.000 2.626 519 V HA -0.095 4.025 4.120 -0.001 0.000 0.252 519 V C 2.429 178.476 176.094 -0.078 0.000 1.067 519 V CA 1.104 63.352 62.300 -0.086 0.000 1.081 519 V CB -0.797 31.012 31.823 -0.025 0.000 0.686 519 V HN 0.281 nan 8.190 nan 0.000 0.468 520 L N 0.267 121.497 121.223 0.012 0.000 2.109 520 L HA -0.085 4.255 4.340 -0.001 0.000 0.207 520 L C 2.713 179.617 176.870 0.056 0.000 1.086 520 L CA 1.835 56.705 54.840 0.050 0.000 0.760 520 L CB -0.278 41.822 42.059 0.069 0.000 0.910 520 L HN 0.440 nan 8.230 nan 0.000 0.437 521 S N 0.283 116.028 115.700 0.076 0.000 2.370 521 S HA -0.197 4.273 4.470 -0.001 0.000 0.226 521 S C 1.871 176.568 174.600 0.162 0.000 1.033 521 S CA 1.319 59.602 58.200 0.140 0.000 1.011 521 S CB -0.299 63.007 63.200 0.177 0.000 0.852 521 S HN 0.356 nan 8.310 nan 0.000 0.457 522 L N 0.584 121.793 121.223 -0.024 0.000 2.046 522 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 522 L C 2.416 179.136 176.870 -0.249 0.000 1.077 522 L CA 0.823 55.440 54.840 -0.371 0.000 0.747 522 L CB -0.577 40.859 42.059 -1.038 0.000 0.896 522 L HN 0.285 nan 8.230 nan 0.000 0.432 523 L N -0.100 121.046 121.223 -0.129 0.000 2.027 523 L HA -0.173 4.167 4.340 -0.001 0.000 0.206 523 L C 2.293 179.302 176.870 0.232 0.000 1.074 523 L CA 1.738 56.704 54.840 0.210 0.000 0.745 523 L CB -0.447 41.757 42.059 0.241 0.000 0.898 523 L HN 0.091 nan 8.230 nan 0.000 0.433 524 L N -0.530 120.805 121.223 0.187 0.000 2.141 524 L HA -0.128 4.212 4.340 -0.001 0.000 0.209 524 L C 2.662 179.653 176.870 0.201 0.000 1.094 524 L CA 1.004 55.967 54.840 0.205 0.000 0.763 524 L CB -1.023 41.122 42.059 0.143 0.000 0.908 524 L HN 0.405 nan 8.230 nan 0.000 0.437 525 A N -0.214 122.719 122.820 0.188 0.000 1.930 525 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 525 A C 2.359 180.079 177.584 0.227 0.000 1.175 525 A CA 2.192 54.351 52.037 0.203 0.000 0.627 525 A CB -0.756 18.380 19.000 0.227 0.000 0.815 525 A HN 0.353 nan 8.150 nan 0.000 0.443 526 T N -1.660 113.029 114.554 0.225 0.000 2.821 526 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 526 T C 1.796 176.674 174.700 0.298 0.000 1.046 526 T CA 1.496 63.737 62.100 0.236 0.000 1.139 526 T CB -0.406 68.618 68.868 0.260 0.000 0.871 526 T HN 0.775 nan 8.240 nan 0.000 0.454 527 H N 0.044 119.215 119.070 0.170 0.000 2.357 527 H HA -0.021 4.535 4.556 -0.001 0.000 0.301 527 H C 2.306 177.709 175.328 0.124 0.000 1.082 527 H CA 0.776 56.904 56.048 0.132 0.000 1.342 527 H CB -0.076 29.755 29.762 0.115 0.000 1.389 527 H HN 0.116 nan 8.280 nan 0.000 0.511 528 L N 0.564 121.918 121.223 0.219 0.000 1.989 528 L HA -0.235 4.104 4.340 -0.001 0.000 0.211 528 L C 2.259 179.220 176.870 0.151 0.000 1.071 528 L CA 1.989 56.898 54.840 0.115 0.000 0.749 528 L CB -1.311 40.821 42.059 0.122 0.000 0.890 528 L HN 0.383 nan 8.230 nan 0.000 0.431 529 Y N -0.420 119.937 120.300 0.095 0.000 2.081 529 Y HA -0.377 4.173 4.550 -0.001 0.000 0.280 529 Y C 2.675 178.611 175.900 0.059 0.000 1.163 529 Y CA 2.382 60.527 58.100 0.074 0.000 1.135 529 Y CB -0.767 37.739 38.460 0.078 0.000 0.970 529 Y HN 0.333 nan 8.280 nan 0.000 0.498 530 C N -1.196 118.271 119.300 0.279 0.000 2.425 530 C HA -0.142 4.318 4.460 -0.001 0.000 0.277 530 C C 2.885 177.896 174.990 0.035 0.000 1.280 530 C CA 1.012 60.111 59.018 0.135 0.000 1.744 530 C CB -1.279 26.558 27.740 0.162 0.000 1.989 530 C HN 0.604 nan 8.230 nan 0.000 0.491 531 V N 0.541 120.509 119.914 0.090 0.000 2.515 531 V HA -0.125 3.995 4.120 -0.001 0.000 0.250 531 V C 2.261 178.340 176.094 -0.025 0.000 1.058 531 V CA 1.689 64.008 62.300 0.031 0.000 1.064 531 V CB -0.441 31.397 31.823 0.025 0.000 0.675 531 V HN 0.428 nan 8.190 nan 0.000 0.461 532 L N 0.034 121.245 121.223 -0.020 0.000 2.017 532 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 532 L C 2.530 179.396 176.870 -0.007 0.000 1.073 532 L CA 2.495 57.343 54.840 0.014 0.000 0.745 532 L CB -1.404 40.604 42.059 -0.084 0.000 0.894 532 L HN 0.505 nan 8.230 nan 0.000 0.432 533 Q N -0.630 119.107 119.800 -0.106 0.000 2.124 533 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 533 Q C 2.125 178.097 176.000 -0.047 0.000 0.977 533 Q CA 1.941 57.712 55.803 -0.053 0.000 0.850 533 Q CB -0.235 28.465 28.738 -0.064 0.000 0.901 533 Q HN 0.451 nan 8.270 nan 0.000 0.429 534 A N 0.832 123.604 122.820 -0.080 0.000 1.873 534 A HA -0.121 4.198 4.320 -0.001 0.000 0.215 534 A C 2.049 179.503 177.584 -0.217 0.000 1.186 534 A CA 1.603 53.565 52.037 -0.126 0.000 0.616 534 A CB -0.968 17.960 19.000 -0.121 0.000 0.823 534 A HN 0.607 nan 8.150 nan 0.000 0.442 535 I N -2.247 118.176 120.570 -0.246 0.000 2.493 535 I HA -0.142 4.028 4.170 -0.001 0.000 0.254 535 I C 1.427 177.392 176.117 -0.254 0.000 1.160 535 I CA 1.540 62.588 61.300 -0.420 0.000 1.445 535 I CB -0.783 36.927 38.000 -0.484 0.000 1.086 535 I HN 0.070 nan 8.210 nan 0.000 0.433 536 D N 1.770 122.086 120.400 -0.139 0.000 2.097 536 D HA -0.103 4.537 4.640 -0.001 0.000 0.197 536 D C 2.200 178.280 176.300 -0.367 0.000 0.984 536 D CA 1.244 55.114 54.000 -0.217 0.000 0.826 536 D CB -0.130 40.575 40.800 -0.158 0.000 0.973 536 D HN 0.238 nan 8.370 nan 0.000 0.460 537 L N 0.564 121.625 121.223 -0.270 0.000 2.191 537 L HA -0.109 4.231 4.340 -0.001 0.000 0.212 537 L C 2.331 179.045 176.870 -0.261 0.000 1.103 537 L CA 1.167 55.864 54.840 -0.239 0.000 0.769 537 L CB -0.440 41.535 42.059 -0.141 0.000 0.908 537 L HN -0.098 nan 8.230 nan 0.000 0.438 538 R N -0.706 119.603 120.500 -0.319 0.000 2.090 538 R HA -0.022 4.318 4.340 -0.001 0.000 0.228 538 R C 2.261 178.297 176.300 -0.441 0.000 1.110 538 R CA 1.200 57.031 56.100 -0.448 0.000 0.973 538 R CB -0.332 29.599 30.300 -0.615 0.000 0.869 538 R HN 0.294 nan 8.270 nan 0.000 0.440 539 A N 0.714 123.416 122.820 -0.196 0.000 1.908 539 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 539 A C 2.170 179.757 177.584 0.006 0.000 1.181 539 A CA 1.632 53.678 52.037 0.014 0.000 0.627 539 A CB -0.628 18.463 19.000 0.152 0.000 0.818 539 A HN 0.366 nan 8.150 nan 0.000 0.445 540 I N -0.675 119.809 120.570 -0.143 0.000 2.226 540 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 540 I C 2.576 178.726 176.117 0.054 0.000 1.100 540 I CA 1.744 63.001 61.300 -0.072 0.000 1.374 540 I CB -0.350 37.537 38.000 -0.189 0.000 1.057 540 I HN 0.547 nan 8.210 nan 0.000 0.413 541 E N 1.276 121.459 120.200 -0.029 0.000 2.110 541 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 541 E C 2.315 179.084 176.600 0.281 0.000 0.988 541 E CA 1.307 57.736 56.400 0.048 0.000 0.804 541 E CB -0.104 29.544 29.700 -0.087 0.000 0.745 541 E HN 0.489 nan 8.360 nan 0.000 0.458 542 F N 0.922 120.868 119.950 -0.008 0.000 2.113 542 F HA -0.159 4.368 4.527 -0.001 0.000 0.297 542 F C 2.625 178.493 175.800 0.114 0.000 1.103 542 F CA 0.388 58.355 58.000 -0.054 0.000 1.248 542 F CB 0.065 38.756 39.000 -0.515 0.000 0.999 542 F HN 0.045 nan 8.300 nan 0.000 0.475 543 E N 0.323 120.748 120.200 0.374 0.000 2.085 543 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 543 E C 1.835 178.583 176.600 0.247 0.000 0.994 543 E CA 1.211 57.786 56.400 0.291 0.000 0.801 543 E CB -0.819 29.031 29.700 0.250 0.000 0.743 543 E HN 0.410 nan 8.360 nan 0.000 0.453 544 F N 2.251 122.280 119.950 0.133 0.000 2.075 544 F HA -0.157 4.370 4.527 -0.001 0.000 0.297 544 F C 2.178 178.070 175.800 0.153 0.000 1.113 544 F CA 1.443 59.503 58.000 0.101 0.000 1.218 544 F CB -0.055 38.979 39.000 0.056 0.000 0.984 544 F HN -0.168 nan 8.300 nan 0.000 0.472 545 K N 1.272 121.964 120.400 0.488 0.000 2.281 545 K HA -0.226 4.094 4.320 -0.001 0.000 0.203 545 K C 2.139 178.832 176.600 0.155 0.000 1.046 545 K CA 1.186 57.697 56.287 0.373 0.000 0.938 545 K CB -0.396 32.327 32.500 0.372 0.000 0.737 545 K HN 0.398 nan 8.250 nan 0.000 0.458 546 K N 0.552 121.020 120.400 0.113 0.000 2.025 546 K HA -0.148 4.172 4.320 -0.001 0.000 0.207 546 K C 1.933 178.538 176.600 0.008 0.000 1.049 546 K CA 1.421 57.740 56.287 0.054 0.000 0.933 546 K CB 0.098 32.644 32.500 0.077 0.000 0.714 546 K HN 0.177 nan 8.250 nan 0.000 0.438 547 Q N -1.037 118.746 119.800 -0.028 0.000 2.302 547 Q HA -0.041 4.299 4.340 -0.001 0.000 0.202 547 Q C 1.692 177.639 176.000 -0.088 0.000 0.936 547 Q CA 0.533 56.298 55.803 -0.064 0.000 0.886 547 Q CB 0.088 28.780 28.738 -0.076 0.000 0.986 547 Q HN 0.218 nan 8.270 nan 0.000 0.487 548 F N 0.982 120.700 119.950 -0.385 0.000 2.293 548 F HA 0.088 4.615 4.527 -0.000 0.000 0.297 548 F C 1.960 177.675 175.800 -0.141 0.000 1.089 548 F CA 1.087 58.846 58.000 -0.402 0.000 1.377 548 F CB -0.541 38.011 39.000 -0.747 0.000 1.051 548 F HN 0.019 nan 8.300 nan 0.000 0.511 549 G N 1.819 110.590 108.800 -0.047 0.000 2.586 549 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.218 549 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.218 549 G C -0.477 174.348 174.900 -0.126 0.000 1.216 549 G CA 1.147 46.208 45.100 -0.066 0.000 0.786 549 G HN 0.331 nan 8.290 nan 0.000 0.583 550 P HA -0.035 nan 4.420 nan 0.000 0.217 550 P C 2.087 179.312 177.300 -0.125 0.000 1.150 550 P CA 1.979 65.028 63.100 -0.086 0.000 0.832 550 P CB -0.233 31.432 31.700 -0.059 0.000 0.787 551 A N 0.471 123.183 122.820 -0.180 0.000 1.917 551 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 551 A C 2.405 179.831 177.584 -0.263 0.000 1.182 551 A CA 1.718 53.630 52.037 -0.208 0.000 0.633 551 A CB -1.635 17.233 19.000 -0.220 0.000 0.819 551 A HN 0.151 nan 8.150 nan 0.000 0.448 552 I N -0.414 119.921 120.570 -0.391 0.000 2.226 552 I HA -0.201 3.969 4.170 -0.001 0.000 0.245 552 I C 2.152 178.241 176.117 -0.047 0.000 1.100 552 I CA 1.177 62.321 61.300 -0.260 0.000 1.374 552 I CB -0.334 37.512 38.000 -0.258 0.000 1.057 552 I HN 0.148 nan 8.210 nan 0.000 0.413 553 V N -0.152 119.729 119.914 -0.054 0.000 2.913 553 V HA -0.216 3.904 4.120 -0.001 0.000 0.260 553 V C 2.412 178.504 176.094 -0.003 0.000 1.098 553 V CA 1.808 64.106 62.300 -0.003 0.000 1.121 553 V CB -0.341 31.473 31.823 -0.015 0.000 0.714 553 V HN 0.431 nan 8.190 nan 0.000 0.487 554 S N 0.124 115.805 115.700 -0.031 0.000 2.315 554 S HA -0.038 4.432 4.470 -0.001 0.000 0.211 554 S C 1.791 176.390 174.600 -0.002 0.000 1.029 554 S CA 0.845 59.029 58.200 -0.026 0.000 0.956 554 S CB -0.197 62.974 63.200 -0.048 0.000 0.918 554 S HN 0.356 nan 8.310 nan 0.000 0.470 555 L N 2.037 123.263 121.223 0.005 0.000 2.261 555 L HA 0.025 4.365 4.340 -0.001 0.000 0.216 555 L C 2.130 179.103 176.870 0.170 0.000 1.114 555 L CA 1.104 56.001 54.840 0.094 0.000 0.777 555 L CB -0.728 41.335 42.059 0.006 0.000 0.910 555 L HN 0.463 nan 8.230 nan 0.000 0.440 556 I N -0.832 119.807 120.570 0.116 0.000 2.252 556 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 556 I C 1.931 177.999 176.117 -0.081 0.000 1.102 556 I CA 1.410 62.710 61.300 -0.001 0.000 1.385 556 I CB -0.011 38.072 38.000 0.138 0.000 1.064 556 I HN 0.296 nan 8.210 nan 0.000 0.414 557 D N 0.185 120.587 120.400 0.002 0.000 2.103 557 D HA -0.248 4.391 4.640 -0.001 0.000 0.199 557 D C 1.960 178.239 176.300 -0.035 0.000 0.978 557 D CA 1.088 55.094 54.000 0.009 0.000 0.829 557 D CB -0.418 40.386 40.800 0.006 0.000 0.981 557 D HN 0.484 nan 8.370 nan 0.000 0.464 558 Q N -0.035 119.725 119.800 -0.067 0.000 2.217 558 Q HA -0.217 4.123 4.340 -0.001 0.000 0.209 558 Q C 1.644 177.468 176.000 -0.294 0.000 0.988 558 Q CA 1.462 57.167 55.803 -0.164 0.000 0.878 558 Q CB 0.112 28.740 28.738 -0.183 0.000 0.909 558 Q HN 0.489 nan 8.270 nan 0.000 0.424 559 H N -2.072 116.887 119.070 -0.186 0.000 2.557 559 H HA 0.133 4.689 4.556 -0.001 0.000 0.281 559 H C 0.748 176.005 175.328 -0.119 0.000 0.990 559 H CA 0.515 56.421 56.048 -0.236 0.000 1.278 559 H CB 0.316 29.828 29.762 -0.418 0.000 1.451 559 H HN 0.196 nan 8.280 nan 0.000 0.516 560 F N -0.602 119.369 119.950 0.035 0.000 2.935 560 F HA 0.362 4.889 4.527 -0.001 0.000 0.167 560 F C 2.157 177.937 175.800 -0.033 0.000 1.379 560 F CA -0.211 57.761 58.000 -0.048 0.000 0.910 560 F CB -0.136 38.782 39.000 -0.138 0.000 2.105 560 F HN 0.190 nan 8.300 nan 0.000 0.514 561 G N 0.899 109.816 108.800 0.195 0.000 5.186 561 G HA2 -0.466 3.494 3.960 -0.001 0.000 0.291 561 G HA3 -0.466 3.494 3.960 -0.001 0.000 0.291 561 G C 1.341 176.274 174.900 0.055 0.000 1.394 561 G CA 1.301 46.451 45.100 0.084 0.000 1.121 561 G HN 0.743 nan 8.290 nan 0.000 0.802 562 S N 1.867 117.597 115.700 0.051 0.000 2.383 562 S HA 0.441 4.911 4.470 -0.001 0.000 0.227 562 S C 1.936 176.559 174.600 0.038 0.000 1.026 562 S CA 1.663 59.882 58.200 0.032 0.000 0.981 562 S CB -0.672 62.541 63.200 0.023 0.000 0.818 562 S HN 2.124 nan 8.310 nan 0.000 0.472 566 G N 1.819 110.615 108.800 -0.007 0.000 2.194 566 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.236 566 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.236 566 G C 0.435 175.329 174.900 -0.011 0.000 0.987 566 G CA 0.943 46.038 45.100 -0.008 0.000 0.635 566 G HN 1.888 nan 8.290 nan 0.000 0.520 567 S N -0.697 114.995 115.700 -0.014 0.000 2.667 567 S HA 0.660 5.129 4.470 -0.001 0.000 0.292 567 S C 0.620 175.210 174.600 -0.017 0.000 1.108 567 S CA 0.147 58.337 58.200 -0.018 0.000 0.992 567 S CB 1.148 64.333 63.200 -0.025 0.000 1.269 567 S HN 0.073 nan 8.310 nan 0.000 0.528 568 N N -0.519 118.169 118.700 -0.020 0.000 2.203 568 N HA 0.311 5.050 4.740 -0.001 0.000 0.207 568 N C -0.838 174.657 175.510 -0.024 0.000 1.130 568 N CA 0.008 53.047 53.050 -0.018 0.000 0.861 568 N CB -0.238 38.239 38.487 -0.017 0.000 1.005 568 N HN 0.302 nan 8.380 nan 0.000 0.507 569 L N 1.071 122.273 121.223 -0.034 0.000 2.530 569 L HA 0.156 4.496 4.340 -0.001 0.000 0.247 569 L C 1.325 178.177 176.870 -0.031 0.000 1.416 569 L CA 0.576 55.386 54.840 -0.051 0.000 1.202 569 L CB -0.860 41.150 42.059 -0.082 0.000 1.415 569 L HN 0.155 nan 8.230 nan 0.000 0.443 570 R N -0.791 119.700 120.500 -0.015 0.000 5.460 570 R HA 0.120 4.460 4.340 -0.001 0.000 0.090 570 R C 1.170 177.475 176.300 0.008 0.000 0.840 570 R CA 0.137 56.240 56.100 0.005 0.000 0.937 570 R CB -0.176 30.128 30.300 0.007 0.000 1.335 570 R HN 0.176 nan 8.270 nan 0.000 0.387 571 D N 1.243 121.645 120.400 0.003 0.000 2.182 571 D HA -0.180 4.459 4.640 -0.001 0.000 0.201 571 D C 1.240 177.542 176.300 0.004 0.000 0.986 571 D CA 1.560 55.563 54.000 0.005 0.000 0.847 571 D CB 0.106 40.907 40.800 0.001 0.000 0.942 571 D HN 0.529 nan 8.370 nan 0.000 0.467 572 E N 0.690 120.887 120.200 -0.005 0.000 2.033 572 E HA -0.084 4.265 4.350 -0.001 0.000 0.189 572 E C 2.379 178.974 176.600 -0.009 0.000 0.979 572 E CA 0.086 56.480 56.400 -0.010 0.000 0.802 572 E CB -0.086 29.602 29.700 -0.020 0.000 0.763 572 E HN 0.154 nan 8.360 nan 0.000 0.449 573 L N 0.875 122.088 121.223 -0.017 0.000 2.079 573 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 573 L C 2.275 179.165 176.870 0.034 0.000 1.081 573 L CA 0.963 55.791 54.840 -0.019 0.000 0.752 573 L CB -0.023 42.005 42.059 -0.051 0.000 0.896 573 L HN 0.109 nan 8.230 nan 0.000 0.433 574 V N -0.424 119.516 119.914 0.043 0.000 2.548 574 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 574 V C 2.315 178.441 176.094 0.052 0.000 1.055 574 V CA 1.824 64.162 62.300 0.065 0.000 1.065 574 V CB -0.356 31.497 31.823 0.048 0.000 0.681 574 V HN 0.521 nan 8.190 nan 0.000 0.462 575 E N 0.643 120.861 120.200 0.031 0.000 2.008 575 E HA -0.186 4.163 4.350 -0.001 0.000 0.191 575 E C 2.281 178.893 176.600 0.020 0.000 0.986 575 E CA 1.016 57.430 56.400 0.023 0.000 0.807 575 E CB -0.034 29.673 29.700 0.012 0.000 0.766 575 E HN 0.505 nan 8.360 nan 0.000 0.450 576 K N 0.217 120.624 120.400 0.011 0.000 2.103 576 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 576 K C 2.177 178.779 176.600 0.003 0.000 1.048 576 K CA 1.353 57.638 56.287 -0.002 0.000 0.930 576 K CB -0.076 32.417 32.500 -0.011 0.000 0.716 576 K HN 0.088 nan 8.250 nan 0.000 0.444 577 V N 1.719 121.663 119.914 0.051 0.000 2.358 577 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 577 V C 1.898 178.040 176.094 0.080 0.000 1.047 577 V CA 1.667 64.034 62.300 0.112 0.000 1.035 577 V CB -0.556 31.421 31.823 0.257 0.000 0.658 577 V HN 0.392 nan 8.190 nan 0.000 0.452 578 N N -0.356 118.390 118.700 0.077 0.000 2.120 578 N HA -0.199 4.540 4.740 -0.001 0.000 0.188 578 N C 1.935 177.458 175.510 0.022 0.000 1.024 578 N CA 1.267 54.355 53.050 0.064 0.000 0.852 578 N CB -0.051 38.473 38.487 0.061 0.000 1.003 578 N HN 0.467 nan 8.380 nan 0.000 0.424 579 K N -0.062 120.339 120.400 0.001 0.000 2.002 579 K HA -0.119 4.201 4.320 -0.001 0.000 0.209 579 K C 2.237 178.789 176.600 -0.080 0.000 1.048 579 K CA 1.847 58.119 56.287 -0.025 0.000 0.930 579 K CB -0.329 32.158 32.500 -0.023 0.000 0.714 579 K HN 0.369 nan 8.250 nan 0.000 0.438 580 T N -0.194 114.279 114.554 -0.136 0.000 2.995 580 T HA -0.075 4.274 4.350 -0.001 0.000 0.269 580 T C 1.770 176.281 174.700 -0.315 0.000 1.091 580 T CA 0.570 62.489 62.100 -0.302 0.000 1.128 580 T CB -0.062 68.542 68.868 -0.440 0.000 0.891 580 T HN -0.003 nan 8.240 nan 0.000 0.492 581 L N 1.097 122.217 121.223 -0.173 0.000 2.179 581 L HA 0.430 4.770 4.340 -0.001 0.000 0.208 581 L C 2.723 179.532 176.870 -0.103 0.000 1.096 581 L CA 1.332 56.080 54.840 -0.154 0.000 0.779 581 L CB -0.962 41.046 42.059 -0.085 0.000 0.922 581 L HN 0.353 nan 8.230 nan 0.000 0.443 582 A N -0.006 122.780 122.820 -0.057 0.000 1.930 582 A HA -0.154 4.166 4.320 -0.001 0.000 0.215 582 A C 2.231 179.781 177.584 -0.056 0.000 1.176 582 A CA 1.294 53.313 52.037 -0.029 0.000 0.632 582 A CB -0.467 18.540 19.000 0.010 0.000 0.819 582 A HN 0.558 nan 8.150 nan 0.000 0.445 583 K N -0.700 119.657 120.400 -0.071 0.000 2.147 583 K HA -0.152 4.168 4.320 -0.001 0.000 0.205 583 K C 1.950 178.529 176.600 -0.036 0.000 1.049 583 K CA 1.661 57.919 56.287 -0.049 0.000 0.936 583 K CB -0.181 32.288 32.500 -0.052 0.000 0.722 583 K HN 0.211 nan 8.250 nan 0.000 0.446 584 R N 0.610 121.077 120.500 -0.056 0.000 2.161 584 R HA 0.115 4.455 4.340 -0.001 0.000 0.213 584 R C 1.786 178.007 176.300 -0.131 0.000 1.055 584 R CA 0.627 56.723 56.100 -0.006 0.000 0.996 584 R CB -0.317 30.058 30.300 0.126 0.000 0.901 584 R HN 0.209 nan 8.270 nan 0.000 0.456 585 L N 0.983 122.102 121.223 -0.173 0.000 2.156 585 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 585 L C 1.968 178.719 176.870 -0.198 0.000 1.095 585 L CA 1.494 56.178 54.840 -0.259 0.000 0.770 585 L CB -0.601 41.303 42.059 -0.259 0.000 0.914 585 L HN 0.174 nan 8.230 nan 0.000 0.439 586 E N -0.155 119.972 120.200 -0.121 0.000 2.070 586 E HA -0.218 4.132 4.350 -0.001 0.000 0.197 586 E C 1.550 178.096 176.600 -0.090 0.000 1.004 586 E CA 1.107 57.455 56.400 -0.087 0.000 0.805 586 E CB -0.028 29.642 29.700 -0.049 0.000 0.744 586 E HN 0.499 nan 8.360 nan 0.000 0.451 587 Q N -0.532 119.215 119.800 -0.089 0.000 2.246 587 Q HA 0.098 4.437 4.340 -0.001 0.000 0.202 587 Q C 0.620 176.555 176.000 -0.108 0.000 0.883 587 Q CA 0.306 56.066 55.803 -0.071 0.000 0.952 587 Q CB 0.886 29.603 28.738 -0.036 0.000 1.078 587 Q HN 0.096 nan 8.270 nan 0.000 0.493 588 T N -0.010 114.414 114.554 -0.217 0.000 3.132 588 T HA 0.037 4.387 4.350 -0.001 0.000 0.274 588 T C 1.032 175.582 174.700 -0.249 0.000 1.011 588 T CA -0.191 61.669 62.100 -0.400 0.000 0.899 588 T CB -0.150 68.280 68.868 -0.730 0.000 1.089 588 T HN 0.531 nan 8.240 nan 0.000 0.543 589 N N 1.310 119.919 118.700 -0.152 0.000 2.626 589 N HA -0.075 4.665 4.740 -0.001 0.000 0.193 589 N C 1.520 177.016 175.510 -0.022 0.000 1.213 589 N CA 0.565 53.544 53.050 -0.118 0.000 0.914 589 N CB -0.031 38.390 38.487 -0.111 0.000 0.994 589 N HN 0.312 nan 8.380 nan 0.000 0.447 590 S N -1.554 114.200 115.700 0.089 0.000 2.523 590 S HA 0.117 4.587 4.470 -0.001 0.000 0.217 590 S C 0.014 174.710 174.600 0.160 0.000 0.996 590 S CA -0.760 57.508 58.200 0.114 0.000 0.921 590 S CB -0.171 63.093 63.200 0.108 0.000 0.829 590 S HN 0.153 nan 8.310 nan 0.000 0.495 591 Y N 3.117 123.362 120.300 -0.093 0.000 2.300 591 Y HA 0.361 4.911 4.550 -0.001 0.000 0.328 591 Y C 1.395 177.240 175.900 -0.092 0.000 1.270 591 Y CA -1.351 56.698 58.100 -0.086 0.000 1.352 591 Y CB 0.213 38.604 38.460 -0.115 0.000 1.286 591 Y HN 0.014 nan 8.280 nan 0.000 0.536 592 D N 0.226 120.672 120.400 0.076 0.000 2.120 592 D HA -0.161 4.478 4.640 -0.001 0.000 0.216 592 D C 1.425 177.741 176.300 0.027 0.000 0.999 592 D CA 2.165 56.183 54.000 0.029 0.000 0.903 592 D CB 0.071 40.890 40.800 0.031 0.000 1.104 592 D HN 0.495 nan 8.370 nan 0.000 0.466 593 L N -2.015 119.252 121.223 0.073 0.000 1.465 593 L HA 0.034 4.374 4.340 -0.001 0.000 0.144 593 L C 1.602 178.629 176.870 0.260 0.000 1.333 593 L CA 0.280 55.195 54.840 0.124 0.000 1.203 593 L CB -0.403 41.747 42.059 0.151 0.000 2.504 593 L HN -0.048 nan 8.230 nan 0.000 0.485 594 V N 2.712 122.771 119.914 0.242 0.000 2.244 594 V HA -0.078 4.042 4.120 -0.001 0.000 0.244 594 V C -0.681 175.642 176.094 0.382 0.000 1.042 594 V CA 2.329 64.822 62.300 0.322 0.000 1.006 594 V CB -1.929 30.045 31.823 0.252 0.000 0.641 594 V HN 0.390 nan 8.190 nan 0.000 0.446 595 P HA -0.206 nan 4.420 nan 0.000 0.218 595 P C 1.573 179.033 177.300 0.265 0.000 1.149 595 P CA 1.680 64.949 63.100 0.281 0.000 0.817 595 P CB -0.039 31.785 31.700 0.206 0.000 0.785 596 R N 0.178 120.770 120.500 0.154 0.000 2.082 596 R HA -0.151 4.189 4.340 -0.001 0.000 0.234 596 R C 2.232 178.375 176.300 -0.263 0.000 1.136 596 R CA 2.046 58.042 56.100 -0.173 0.000 0.935 596 R CB -1.691 28.392 30.300 -0.360 0.000 0.842 596 R HN 0.142 nan 8.270 nan 0.000 0.430 597 W N -0.081 121.226 121.300 0.010 0.000 2.402 597 W HA -0.102 4.557 4.660 -0.001 0.000 0.286 597 W C 2.420 178.970 176.519 0.052 0.000 1.221 597 W CA 1.129 58.474 57.345 0.000 0.000 1.257 597 W CB -0.215 29.234 29.460 -0.018 0.000 1.120 597 W HN 0.286 nan 8.180 nan 0.000 0.551 598 H N -0.754 118.506 119.070 0.316 0.000 2.428 598 H HA -0.118 4.438 4.556 -0.001 0.000 0.296 598 H C 1.463 176.905 175.328 0.191 0.000 1.062 598 H CA 1.928 58.124 56.048 0.247 0.000 1.350 598 H CB -0.442 29.426 29.762 0.177 0.000 1.403 598 H HN 0.249 nan 8.280 nan 0.000 0.533 599 D N 0.523 121.055 120.400 0.220 0.000 2.097 599 D HA -0.079 4.560 4.640 -0.001 0.000 0.197 599 D C 2.323 178.679 176.300 0.092 0.000 0.984 599 D CA 1.270 55.337 54.000 0.112 0.000 0.826 599 D CB 0.029 40.813 40.800 -0.026 0.000 0.973 599 D HN 0.235 nan 8.370 nan 0.000 0.460 600 A N -0.128 122.696 122.820 0.006 0.000 1.834 600 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 600 A C 2.149 179.724 177.584 -0.015 0.000 1.203 600 A CA 1.544 53.535 52.037 -0.076 0.000 0.621 600 A CB -1.463 17.388 19.000 -0.249 0.000 0.841 600 A HN 0.387 nan 8.150 nan 0.000 0.446 601 F N 0.084 120.123 119.950 0.150 0.000 2.365 601 F HA -0.096 4.430 4.527 -0.001 0.000 0.300 601 F C 2.872 178.779 175.800 0.180 0.000 1.090 601 F CA 1.157 59.211 58.000 0.089 0.000 1.408 601 F CB -0.202 38.714 39.000 -0.139 0.000 1.060 601 F HN 0.258 nan 8.300 nan 0.000 0.534 602 S N 0.014 115.920 115.700 0.343 0.000 2.368 602 S HA -0.237 4.232 4.470 -0.001 0.000 0.225 602 S C 2.089 176.896 174.600 0.345 0.000 1.030 602 S CA 1.230 59.612 58.200 0.304 0.000 0.999 602 S CB -0.574 62.766 63.200 0.234 0.000 0.844 602 S HN 0.505 nan 8.310 nan 0.000 0.459 603 F N 1.479 121.505 119.950 0.126 0.000 2.186 603 F HA -0.025 4.502 4.527 -0.001 0.000 0.299 603 F C 2.395 178.281 175.800 0.143 0.000 1.090 603 F CA 0.642 58.699 58.000 0.094 0.000 1.307 603 F CB -0.334 38.683 39.000 0.028 0.000 1.019 603 F HN 0.355 nan 8.300 nan 0.000 0.489 604 A N 0.679 123.698 122.820 0.332 0.000 1.883 604 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 604 A C 2.307 180.173 177.584 0.469 0.000 1.186 604 A CA 1.681 53.913 52.037 0.325 0.000 0.624 604 A CB -1.405 17.861 19.000 0.444 0.000 0.822 604 A HN 0.476 nan 8.150 nan 0.000 0.444 605 A N -0.537 122.627 122.820 0.572 0.000 1.986 605 A HA 0.028 4.348 4.320 -0.001 0.000 0.220 605 A C 2.354 180.112 177.584 0.291 0.000 1.171 605 A CA 2.053 54.396 52.037 0.509 0.000 0.640 605 A CB -1.339 17.934 19.000 0.456 0.000 0.811 605 A HN 0.793 nan 8.150 nan 0.000 0.451 606 G N -1.595 107.381 108.800 0.293 0.000 2.422 606 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.218 606 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.218 606 G C 1.509 176.507 174.900 0.163 0.000 1.140 606 G CA 1.521 46.757 45.100 0.227 0.000 0.775 606 G HN 0.441 nan 8.290 nan 0.000 0.545 607 T N 0.760 115.407 114.554 0.156 0.000 2.857 607 T HA -0.049 4.300 4.350 -0.001 0.000 0.266 607 T C 2.588 177.295 174.700 0.012 0.000 1.048 607 T CA 0.960 63.100 62.100 0.067 0.000 1.139 607 T CB -0.083 68.804 68.868 0.032 0.000 0.874 607 T HN 0.073 nan 8.240 nan 0.000 0.455 608 V N 1.523 121.440 119.914 0.005 0.000 2.295 608 V HA -0.150 3.970 4.120 -0.001 0.000 0.246 608 V C 2.643 178.647 176.094 -0.151 0.000 1.049 608 V CA 1.345 63.548 62.300 -0.162 0.000 1.024 608 V CB -0.788 30.883 31.823 -0.252 0.000 0.648 608 V HN 0.318 nan 8.190 nan 0.000 0.447 609 V N 0.057 119.939 119.914 -0.053 0.000 2.688 609 V HA -0.282 3.838 4.120 -0.001 0.000 0.256 609 V C 2.344 178.413 176.094 -0.042 0.000 1.084 609 V CA 2.263 64.539 62.300 -0.040 0.000 1.103 609 V CB -0.610 31.224 31.823 0.019 0.000 0.688 609 V HN 0.705 nan 8.190 nan 0.000 0.480 610 E N -0.124 120.058 120.200 -0.031 0.000 2.042 610 E HA -0.133 4.217 4.350 -0.001 0.000 0.189 610 E C 2.304 178.872 176.600 -0.053 0.000 0.974 610 E CA 1.196 57.581 56.400 -0.026 0.000 0.806 610 E CB 0.069 29.768 29.700 -0.003 0.000 0.769 610 E HN 0.323 nan 8.360 nan 0.000 0.451 611 V N 0.819 120.686 119.914 -0.077 0.000 2.261 611 V HA -0.153 3.967 4.120 -0.001 0.000 0.246 611 V C 1.314 177.333 176.094 -0.125 0.000 1.047 611 V CA 1.333 63.576 62.300 -0.095 0.000 1.015 611 V CB -0.134 31.622 31.823 -0.112 0.000 0.642 611 V HN 0.213 nan 8.190 nan 0.000 0.446 612 L N 1.253 122.365 121.223 -0.186 0.000 2.873 612 L HA 0.272 4.612 4.340 -0.001 0.000 0.236 612 L C 1.917 178.703 176.870 -0.140 0.000 1.375 612 L CA 1.268 55.983 54.840 -0.208 0.000 1.239 612 L CB -0.635 41.207 42.059 -0.362 0.000 1.603 612 L HN 0.340 nan 8.230 nan 0.000 0.430 613 S N -0.287 115.357 115.700 -0.094 0.000 2.371 613 S HA -0.054 4.416 4.470 -0.001 0.000 0.224 613 S C 1.290 175.857 174.600 -0.055 0.000 1.029 613 S CA 0.970 59.133 58.200 -0.062 0.000 0.978 613 S CB 0.119 63.294 63.200 -0.043 0.000 0.833 613 S HN 0.594 nan 8.310 nan 0.000 0.466 614 S N 1.241 116.907 115.700 -0.057 0.000 3.729 614 S HA 0.550 5.020 4.470 -0.001 0.000 0.235 614 S C -0.262 174.305 174.600 -0.055 0.000 1.367 614 S CA -0.462 57.711 58.200 -0.046 0.000 0.907 614 S CB 0.330 63.508 63.200 -0.038 0.000 1.471 614 S HN 0.333 nan 8.310 nan 0.000 0.476 615 T N 0.849 115.370 114.554 -0.056 0.000 2.893 615 T HA 0.388 4.737 4.350 -0.001 0.000 0.337 615 T C -1.223 173.452 174.700 -0.041 0.000 1.587 615 T CA -0.528 61.537 62.100 -0.058 0.000 1.066 615 T CB 1.421 70.231 68.868 -0.096 0.000 1.414 615 T HN 0.296 nan 8.240 nan 0.000 0.488 616 S N 3.499 119.184 115.700 -0.025 0.000 2.473 616 S HA 0.641 5.110 4.470 -0.001 0.000 0.312 616 S C -0.628 173.974 174.600 0.002 0.000 1.087 616 S CA -0.482 57.713 58.200 -0.008 0.000 1.077 616 S CB -0.657 62.543 63.200 -0.000 0.000 1.065 616 S HN 0.475 nan 8.310 nan 0.000 0.510 617 L N 2.354 123.579 121.223 0.003 0.000 2.482 617 L HA 0.447 4.787 4.340 -0.001 0.000 0.263 617 L C 0.237 177.129 176.870 0.037 0.000 0.957 617 L CA -0.709 54.147 54.840 0.028 0.000 0.836 617 L CB 2.356 44.425 42.059 0.015 0.000 1.324 617 L HN 0.574 nan 8.230 nan 0.000 0.406 618 S N 1.654 117.389 115.700 0.059 0.000 2.603 618 S HA 0.402 4.872 4.470 -0.001 0.000 0.268 618 S C 1.021 175.667 174.600 0.077 0.000 1.317 618 S CA -0.793 57.443 58.200 0.060 0.000 1.012 618 S CB 1.019 64.257 63.200 0.063 0.000 0.926 618 S HN 0.619 nan 8.310 nan 0.000 0.539 619 L N 0.775 122.040 121.223 0.071 0.000 2.275 619 L HA -0.014 4.326 4.340 -0.001 0.000 0.215 619 L C 2.677 179.610 176.870 0.106 0.000 1.119 619 L CA 1.213 56.104 54.840 0.085 0.000 0.790 619 L CB -0.900 41.201 42.059 0.071 0.000 0.919 619 L HN 0.928 nan 8.230 nan 0.000 0.443 620 A N -0.229 122.649 122.820 0.097 0.000 2.123 620 A HA 0.178 4.498 4.320 -0.001 0.000 0.214 620 A C 2.477 180.139 177.584 0.130 0.000 1.152 620 A CA 0.998 53.096 52.037 0.103 0.000 0.728 620 A CB -0.213 18.836 19.000 0.081 0.000 0.814 620 A HN 0.329 nan 8.150 nan 0.000 0.464 621 A N -0.303 122.602 122.820 0.143 0.000 1.897 621 A HA 0.049 4.369 4.320 -0.001 0.000 0.215 621 A C 2.111 179.849 177.584 0.257 0.000 1.181 621 A CA 1.767 53.916 52.037 0.186 0.000 0.620 621 A CB -0.695 18.407 19.000 0.171 0.000 0.821 621 A HN 0.345 nan 8.150 nan 0.000 0.443 622 V N 0.585 120.656 119.914 0.261 0.000 2.407 622 V HA -0.179 3.941 4.120 -0.001 0.000 0.245 622 V C 2.308 178.611 176.094 0.348 0.000 1.041 622 V CA 1.998 64.519 62.300 0.369 0.000 1.040 622 V CB -1.144 30.853 31.823 0.291 0.000 0.671 622 V HN 0.712 nan 8.190 nan 0.000 0.455 623 N N 0.862 119.701 118.700 0.233 0.000 2.272 623 N HA -0.162 4.578 4.740 -0.001 0.000 0.185 623 N C 1.628 177.216 175.510 0.131 0.000 1.014 623 N CA 1.483 54.642 53.050 0.182 0.000 0.870 623 N CB -0.183 38.387 38.487 0.137 0.000 0.975 623 N HN 0.454 nan 8.380 nan 0.000 0.433 624 A N -0.926 121.972 122.820 0.129 0.000 1.929 624 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 624 A C 2.035 179.554 177.584 -0.108 0.000 1.176 624 A CA 1.055 53.131 52.037 0.064 0.000 0.628 624 A CB -1.204 17.880 19.000 0.139 0.000 0.816 624 A HN 0.652 nan 8.150 nan 0.000 0.444 625 W N 1.301 122.396 121.300 -0.343 0.000 2.355 625 W HA -0.167 4.493 4.660 -0.000 0.000 0.309 625 W C 2.160 178.438 176.519 -0.401 0.000 1.206 625 W CA 2.125 59.069 57.345 -0.668 0.000 1.284 625 W CB -0.158 29.026 29.460 -0.460 0.000 1.145 625 W HN 0.288 nan 8.180 nan 0.000 0.502 626 K N 0.176 120.440 120.400 -0.227 0.000 1.987 626 K HA -0.245 4.075 4.320 -0.001 0.000 0.216 626 K C 1.773 178.144 176.600 -0.382 0.000 1.051 626 K CA 2.800 58.877 56.287 -0.350 0.000 0.942 626 K CB -0.841 31.715 32.500 0.093 0.000 0.722 626 K HN 0.110 nan 8.250 nan 0.000 0.444 627 V N 1.597 121.433 119.914 -0.131 0.000 2.324 627 V HA -0.300 3.820 4.120 -0.001 0.000 0.250 627 V C 2.597 178.561 176.094 -0.216 0.000 1.060 627 V CA 2.088 64.363 62.300 -0.043 0.000 1.042 627 V CB -1.019 30.848 31.823 0.073 0.000 0.650 627 V HN 0.586 nan 8.190 nan 0.000 0.450 628 A N 0.043 122.674 122.820 -0.314 0.000 1.877 628 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 628 A C 2.467 179.755 177.584 -0.493 0.000 1.186 628 A CA 2.336 54.175 52.037 -0.330 0.000 0.620 628 A CB -0.935 17.865 19.000 -0.334 0.000 0.822 628 A HN 0.592 nan 8.150 nan 0.000 0.443 629 A N -0.121 122.159 122.820 -0.899 0.000 1.865 629 A HA 0.099 4.419 4.320 -0.001 0.000 0.217 629 A C 2.567 179.618 177.584 -0.889 0.000 1.191 629 A CA 2.532 53.809 52.037 -1.268 0.000 0.623 629 A CB -1.244 16.141 19.000 -2.693 0.000 0.826 629 A HN 1.178 nan 8.150 nan 0.000 0.444 630 A N -0.718 121.659 122.820 -0.737 0.000 1.908 630 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 630 A C 1.973 179.384 177.584 -0.288 0.000 1.181 630 A CA 1.812 53.697 52.037 -0.254 0.000 0.627 630 A CB -0.506 18.213 19.000 -0.469 0.000 0.818 630 A HN 0.503 nan 8.150 nan 0.000 0.445 631 E N -0.252 119.786 120.200 -0.271 0.000 2.077 631 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 631 E C 2.380 178.887 176.600 -0.156 0.000 0.989 631 E CA 1.307 57.618 56.400 -0.148 0.000 0.800 631 E CB -0.495 29.152 29.700 -0.089 0.000 0.746 631 E HN 0.590 nan 8.360 nan 0.000 0.452 632 S N 0.426 116.017 115.700 -0.181 0.000 2.356 632 S HA -0.154 4.316 4.470 -0.001 0.000 0.223 632 S C 2.102 176.606 174.600 -0.161 0.000 1.032 632 S CA 1.503 59.634 58.200 -0.116 0.000 1.005 632 S CB -0.104 63.050 63.200 -0.076 0.000 0.867 632 S HN 0.300 nan 8.310 nan 0.000 0.449 633 A N 1.567 124.201 122.820 -0.311 0.000 1.877 633 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 633 A C 2.163 179.292 177.584 -0.759 0.000 1.186 633 A CA 1.614 53.115 52.037 -0.893 0.000 0.620 633 A CB -0.897 17.064 19.000 -1.732 0.000 0.822 633 A HN 0.639 nan 8.150 nan 0.000 0.443 634 I N -0.113 120.113 120.570 -0.572 0.000 2.163 634 I HA -0.268 3.902 4.170 -0.001 0.000 0.243 634 I C 2.720 178.782 176.117 -0.092 0.000 1.085 634 I CA 1.649 62.812 61.300 -0.228 0.000 1.347 634 I CB -0.437 37.542 38.000 -0.035 0.000 1.044 634 I HN 0.252 nan 8.210 nan 0.000 0.408 635 S N 0.860 116.507 115.700 -0.087 0.000 2.356 635 S HA -0.149 4.320 4.470 -0.001 0.000 0.223 635 S C 2.016 176.612 174.600 -0.007 0.000 1.032 635 S CA 1.102 59.287 58.200 -0.025 0.000 1.005 635 S CB -0.446 62.737 63.200 -0.028 0.000 0.867 635 S HN 0.364 nan 8.310 nan 0.000 0.449 636 L N 1.040 122.235 121.223 -0.047 0.000 1.971 636 L HA -0.208 4.131 4.340 -0.001 0.000 0.215 636 L C 2.868 179.817 176.870 0.132 0.000 1.072 636 L CA 2.101 56.930 54.840 -0.019 0.000 0.758 636 L CB -0.839 41.104 42.059 -0.194 0.000 0.889 636 L HN 0.398 nan 8.230 nan 0.000 0.433 637 T N -1.067 113.627 114.554 0.233 0.000 2.720 637 T HA -0.318 4.031 4.350 -0.001 0.000 0.268 637 T C 2.005 176.801 174.700 0.161 0.000 1.037 637 T CA 1.885 64.136 62.100 0.252 0.000 1.144 637 T CB -0.236 68.667 68.868 0.058 0.000 0.864 637 T HN 0.332 nan 8.240 nan 0.000 0.444 638 R N -0.054 120.515 120.500 0.115 0.000 2.152 638 R HA -0.044 4.296 4.340 -0.001 0.000 0.232 638 R C 2.622 179.007 176.300 0.143 0.000 1.117 638 R CA 1.566 57.739 56.100 0.121 0.000 0.981 638 R CB -0.179 30.182 30.300 0.101 0.000 0.870 638 R HN 0.596 nan 8.270 nan 0.000 0.451 639 Q N -0.273 119.602 119.800 0.125 0.000 2.033 639 Q HA -0.101 4.239 4.340 -0.001 0.000 0.196 639 Q C 1.995 178.087 176.000 0.154 0.000 0.970 639 Q CA 1.451 57.326 55.803 0.120 0.000 0.828 639 Q CB -0.011 28.776 28.738 0.080 0.000 0.895 639 Q HN 0.280 nan 8.270 nan 0.000 0.440 640 V N 0.999 121.014 119.914 0.170 0.000 2.594 640 V HA -0.257 3.863 4.120 -0.001 0.000 0.253 640 V C 2.120 178.357 176.094 0.238 0.000 1.069 640 V CA 1.691 64.106 62.300 0.193 0.000 1.082 640 V CB -0.363 31.591 31.823 0.218 0.000 0.680 640 V HN 0.345 nan 8.190 nan 0.000 0.469 641 R N -0.528 120.126 120.500 0.256 0.000 2.061 641 R HA -0.097 4.242 4.340 -0.001 0.000 0.230 641 R C 2.373 178.960 176.300 0.479 0.000 1.140 641 R CA 1.609 57.933 56.100 0.372 0.000 0.940 641 R CB -0.500 29.995 30.300 0.324 0.000 0.839 641 R HN 0.432 nan 8.270 nan 0.000 0.429 642 E N 0.297 120.710 120.200 0.355 0.000 2.160 642 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 642 E C 1.920 178.676 176.600 0.259 0.000 0.991 642 E CA 1.460 58.050 56.400 0.318 0.000 0.810 642 E CB -0.175 29.653 29.700 0.214 0.000 0.742 642 E HN 0.323 nan 8.360 nan 0.000 0.466 643 T N 0.701 115.390 114.554 0.224 0.000 2.788 643 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 643 T C 1.527 176.331 174.700 0.173 0.000 1.044 643 T CA 1.049 63.252 62.100 0.171 0.000 1.139 643 T CB -0.319 68.642 68.868 0.156 0.000 0.867 643 T HN 0.181 nan 8.240 nan 0.000 0.454 644 F N 0.344 120.333 119.950 0.065 0.000 2.098 644 F HA 0.049 4.575 4.527 -0.001 0.000 0.294 644 F C 1.534 177.260 175.800 -0.123 0.000 1.107 644 F CA 0.604 58.563 58.000 -0.068 0.000 1.234 644 F CB -0.566 38.331 39.000 -0.172 0.000 1.002 644 F HN 0.160 nan 8.300 nan 0.000 0.472 645 W N 0.417 121.630 121.300 -0.144 0.000 2.699 645 W HA -0.007 4.653 4.660 -0.001 0.000 0.249 645 W C 2.421 178.852 176.519 -0.148 0.000 1.280 645 W CA 0.949 58.154 57.345 -0.234 0.000 1.345 645 W CB -0.434 29.027 29.460 0.001 0.000 1.128 645 W HN -0.063 nan 8.180 nan 0.000 0.642 646 S N -0.399 115.349 115.700 0.081 0.000 2.439 646 S HA 0.216 4.685 4.470 -0.001 0.000 0.224 646 S C 1.132 175.726 174.600 -0.009 0.000 1.029 646 S CA 0.262 58.497 58.200 0.059 0.000 0.946 646 S CB -0.335 62.911 63.200 0.076 0.000 0.797 646 S HN 0.067 nan 8.310 nan 0.000 0.504 647 A N 1.643 124.423 122.820 -0.066 0.000 2.354 647 A HA 0.748 5.068 4.320 -0.001 0.000 0.269 647 A C 0.444 177.952 177.584 -0.127 0.000 1.109 647 A CA -0.470 51.524 52.037 -0.072 0.000 0.800 647 A CB 0.121 19.094 19.000 -0.045 0.000 1.045 647 A HN 0.430 nan 8.150 nan 0.000 0.489 648 A N 1.569 124.347 122.820 -0.069 0.000 2.492 648 A HA 0.387 4.707 4.320 -0.001 0.000 0.236 648 A C 1.645 179.182 177.584 -0.078 0.000 1.078 648 A CA 0.391 52.389 52.037 -0.065 0.000 0.773 648 A CB -0.222 18.763 19.000 -0.025 0.000 1.023 648 A HN 1.926 nan 8.150 nan 0.000 0.504 649 S N 0.414 116.072 115.700 -0.070 0.000 2.400 649 S HA -0.208 4.262 4.470 -0.001 0.000 0.232 649 S C 1.566 176.209 174.600 0.072 0.000 1.025 649 S CA 1.883 60.074 58.200 -0.015 0.000 0.993 649 S CB -1.430 61.754 63.200 -0.027 0.000 0.808 649 S HN 1.363 nan 8.310 nan 0.000 0.478 650 T N -1.209 113.370 114.554 0.042 0.000 3.118 650 T HA 0.082 4.432 4.350 -0.001 0.000 0.269 650 T C 1.161 175.893 174.700 0.054 0.000 1.166 650 T CA 1.136 63.271 62.100 0.059 0.000 1.073 650 T CB -0.459 68.429 68.868 0.033 0.000 0.884 650 T HN 0.384 nan 8.240 nan 0.000 0.550 651 S N 0.372 116.098 115.700 0.043 0.000 2.937 651 S HA 0.366 4.836 4.470 -0.001 0.000 0.252 651 S C 0.376 175.012 174.600 0.060 0.000 1.022 651 S CA -0.594 57.627 58.200 0.035 0.000 1.079 651 S CB 0.561 63.770 63.200 0.014 0.000 1.035 651 S HN 0.549 nan 8.310 nan 0.000 0.594 652 S N 3.930 119.696 115.700 0.110 0.000 2.537 652 S HA 0.123 4.593 4.470 -0.001 0.000 0.286 652 S C -1.151 173.546 174.600 0.161 0.000 1.299 652 S CA -1.086 57.243 58.200 0.215 0.000 1.067 652 S CB 0.699 64.113 63.200 0.357 0.000 0.864 652 S HN 0.187 nan 8.310 nan 0.000 0.494 653 P HA -0.072 nan 4.420 nan 0.000 0.226 653 P C 1.061 178.422 177.300 0.103 0.000 1.146 653 P CA 1.051 64.223 63.100 0.119 0.000 0.773 653 P CB -0.119 31.697 31.700 0.194 0.000 0.772 654 A N 0.632 123.521 122.820 0.115 0.000 1.933 654 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 654 A C 2.301 179.855 177.584 -0.050 0.000 1.175 654 A CA 1.113 53.209 52.037 0.098 0.000 0.628 654 A CB -1.526 17.375 19.000 -0.165 0.000 0.814 654 A HN 0.174 nan 8.150 nan 0.000 0.444 655 L N -0.010 121.134 121.223 -0.131 0.000 2.353 655 L HA -0.130 4.209 4.340 -0.001 0.000 0.220 655 L C 2.237 179.013 176.870 -0.158 0.000 1.133 655 L CA 1.110 55.873 54.840 -0.127 0.000 0.798 655 L CB -0.296 41.728 42.059 -0.059 0.000 0.922 655 L HN 0.300 nan 8.230 nan 0.000 0.445 656 S N -1.732 113.810 115.700 -0.264 0.000 2.501 656 S HA 0.009 4.479 4.470 -0.001 0.000 0.220 656 S C 1.292 175.515 174.600 -0.629 0.000 0.997 656 S CA 0.443 58.366 58.200 -0.463 0.000 0.919 656 S CB 0.029 62.843 63.200 -0.643 0.000 0.778 656 S HN 0.397 nan 8.310 nan 0.000 0.523 657 Y N 0.652 120.752 120.300 -0.332 0.000 2.607 657 Y HA 0.436 4.986 4.550 -0.001 0.000 0.276 657 Y C 0.753 176.302 175.900 -0.585 0.000 1.117 657 Y CA -0.794 56.887 58.100 -0.698 0.000 1.273 657 Y CB -0.247 37.294 38.460 -1.530 0.000 1.282 657 Y HN 0.035 nan 8.280 nan 0.000 0.514 658 L N 1.410 122.611 121.223 -0.036 0.000 2.506 658 L HA 0.013 4.352 4.340 -0.001 0.000 0.281 658 L C 1.011 177.940 176.870 0.100 0.000 1.228 658 L CA -0.102 54.884 54.840 0.242 0.000 0.850 658 L CB 0.415 42.577 42.059 0.171 0.000 1.110 658 L HN 0.192 nan 8.230 nan 0.000 0.496 659 S N 2.979 118.762 115.700 0.138 0.000 2.579 659 S HA 0.140 4.610 4.470 -0.001 0.000 0.275 659 S C -1.683 172.948 174.600 0.051 0.000 1.345 659 S CA -1.001 57.249 58.200 0.084 0.000 1.031 659 S CB 1.117 64.371 63.200 0.090 0.000 0.892 659 S HN 0.414 nan 8.310 nan 0.000 0.529 660 P HA -0.101 nan 4.420 nan 0.000 0.215 660 P C 1.405 178.723 177.300 0.031 0.000 1.157 660 P CA 1.480 64.593 63.100 0.022 0.000 0.874 660 P CB 0.045 31.752 31.700 0.012 0.000 0.790 661 R N -0.898 119.619 120.500 0.028 0.000 2.075 661 R HA -0.060 4.280 4.340 -0.001 0.000 0.232 661 R C 2.351 178.672 176.300 0.034 0.000 1.126 661 R CA 2.043 58.157 56.100 0.023 0.000 0.963 661 R CB -1.368 28.936 30.300 0.007 0.000 0.858 661 R HN 0.334 nan 8.270 nan 0.000 0.435 662 T N -1.373 113.208 114.554 0.045 0.000 2.951 662 T HA -0.096 4.254 4.350 -0.001 0.000 0.268 662 T C 1.824 176.586 174.700 0.103 0.000 1.073 662 T CA 0.635 62.772 62.100 0.061 0.000 1.134 662 T CB -0.078 68.827 68.868 0.062 0.000 0.884 662 T HN 0.204 nan 8.240 nan 0.000 0.479 663 Q N 0.511 120.367 119.800 0.093 0.000 2.181 663 Q HA -0.032 4.308 4.340 -0.001 0.000 0.205 663 Q C 2.266 178.369 176.000 0.171 0.000 0.980 663 Q CA 1.415 57.288 55.803 0.116 0.000 0.862 663 Q CB -0.510 28.266 28.738 0.063 0.000 0.905 663 Q HN 0.618 nan 8.270 nan 0.000 0.429 664 I N 0.129 120.771 120.570 0.120 0.000 2.208 664 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 664 I C 2.205 178.419 176.117 0.162 0.000 1.097 664 I CA 0.692 62.062 61.300 0.117 0.000 1.363 664 I CB -0.207 37.827 38.000 0.058 0.000 1.051 664 I HN 0.259 nan 8.210 nan 0.000 0.413 665 L N 0.104 121.418 121.223 0.153 0.000 2.072 665 L HA -0.225 4.115 4.340 -0.001 0.000 0.205 665 L C 2.448 179.465 176.870 0.244 0.000 1.079 665 L CA 1.750 56.700 54.840 0.183 0.000 0.752 665 L CB -1.020 41.109 42.059 0.118 0.000 0.906 665 L HN 0.206 nan 8.230 nan 0.000 0.436 666 Y N 0.226 120.586 120.300 0.100 0.000 2.165 666 Y HA -0.291 4.258 4.550 -0.001 0.000 0.286 666 Y C 2.363 178.315 175.900 0.087 0.000 1.155 666 Y CA 2.213 60.361 58.100 0.082 0.000 1.164 666 Y CB -0.379 38.125 38.460 0.074 0.000 0.978 666 Y HN 0.255 nan 8.280 nan 0.000 0.513 667 A N -0.406 122.581 122.820 0.279 0.000 1.930 667 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 667 A C 2.118 179.766 177.584 0.107 0.000 1.175 667 A CA 1.378 53.518 52.037 0.172 0.000 0.627 667 A CB -1.452 17.663 19.000 0.192 0.000 0.815 667 A HN 0.646 nan 8.150 nan 0.000 0.443 668 F N 0.701 120.664 119.950 0.021 0.000 2.171 668 F HA -0.138 4.389 4.527 -0.001 0.000 0.300 668 F C 2.040 177.829 175.800 -0.019 0.000 1.090 668 F CA 1.904 59.908 58.000 0.007 0.000 1.293 668 F CB -0.107 38.903 39.000 0.016 0.000 1.013 668 F HN 0.039 nan 8.300 nan 0.000 0.486 669 V N 0.443 120.288 119.914 -0.115 0.000 2.374 669 V HA -0.102 4.018 4.120 -0.001 0.000 0.241 669 V C 2.527 178.475 176.094 -0.244 0.000 1.034 669 V CA 1.350 63.516 62.300 -0.222 0.000 1.037 669 V CB -0.609 31.157 31.823 -0.094 0.000 0.682 669 V HN 0.119 nan 8.190 nan 0.000 0.463 670 R N 0.151 120.470 120.500 -0.302 0.000 2.152 670 R HA -0.076 4.264 4.340 -0.001 0.000 0.232 670 R C 2.005 178.201 176.300 -0.173 0.000 1.117 670 R CA 1.108 57.024 56.100 -0.306 0.000 0.981 670 R CB -0.233 29.742 30.300 -0.543 0.000 0.870 670 R HN 0.560 nan 8.270 nan 0.000 0.451 671 E N 0.215 120.332 120.200 -0.139 0.000 2.098 671 E HA 0.010 4.359 4.350 -0.001 0.000 0.196 671 E C 1.871 178.402 176.600 -0.115 0.000 0.955 671 E CA 0.326 56.674 56.400 -0.087 0.000 0.936 671 E CB -0.474 29.208 29.700 -0.029 0.000 1.054 671 E HN 0.281 nan 8.360 nan 0.000 0.482 672 E N 1.213 121.323 120.200 -0.151 0.000 2.171 672 E HA -0.135 4.214 4.350 -0.001 0.000 0.197 672 E C 2.128 178.571 176.600 -0.262 0.000 0.997 672 E CA 0.864 57.148 56.400 -0.193 0.000 0.810 672 E CB -0.115 29.448 29.700 -0.227 0.000 0.738 672 E HN 0.149 nan 8.360 nan 0.000 0.467 673 L N -0.916 120.104 121.223 -0.339 0.000 2.416 673 L HA 0.152 4.492 4.340 -0.001 0.000 0.216 673 L C 1.835 178.626 176.870 -0.132 0.000 1.098 673 L CA 0.506 55.188 54.840 -0.263 0.000 0.840 673 L CB -0.033 41.838 42.059 -0.313 0.000 0.981 673 L HN 0.354 nan 8.230 nan 0.000 0.462 674 G N 0.146 108.877 108.800 -0.116 0.000 2.234 674 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.260 674 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.260 674 G C 0.429 175.309 174.900 -0.033 0.000 0.987 674 G CA 0.185 45.249 45.100 -0.060 0.000 0.625 674 G HN 0.109 nan 8.290 nan 0.000 0.532 675 V N 3.275 123.166 119.914 -0.039 0.000 2.409 675 V HA 0.301 4.421 4.120 -0.001 0.000 0.270 675 V C 0.738 176.815 176.094 -0.029 0.000 1.019 675 V CA 0.134 62.443 62.300 0.014 0.000 1.066 675 V CB 0.766 32.620 31.823 0.052 0.000 1.021 675 V HN 0.280 nan 8.190 nan 0.000 0.476 676 K N 3.245 123.656 120.400 0.018 0.000 2.177 676 K HA 0.750 5.069 4.320 -0.001 0.000 0.238 676 K C 0.440 177.073 176.600 0.055 0.000 1.015 676 K CA -0.472 55.819 56.287 0.006 0.000 0.922 676 K CB 1.324 33.856 32.500 0.054 0.000 1.127 676 K HN 0.597 nan 8.250 nan 0.000 0.469 677 A N 0.880 123.743 122.820 0.071 0.000 2.409 677 A HA 0.175 4.495 4.320 -0.001 0.000 0.246 677 A C 0.069 177.890 177.584 0.395 0.000 1.099 677 A CA 0.160 52.300 52.037 0.172 0.000 0.789 677 A CB 0.232 19.320 19.000 0.147 0.000 1.053 677 A HN 0.602 nan 8.150 nan 0.000 0.503 678 R N -0.308 120.453 120.500 0.434 0.000 2.534 678 R HA 0.416 4.756 4.340 -0.001 0.000 0.301 678 R C 0.607 177.024 176.300 0.195 0.000 0.961 678 R CA -0.611 55.648 56.100 0.266 0.000 0.871 678 R CB 1.177 31.486 30.300 0.015 0.000 1.170 678 R HN 0.896 nan 8.270 nan 0.000 0.446 679 R N 1.877 122.287 120.500 -0.151 0.000 2.140 679 R HA 0.187 4.527 4.340 -0.001 0.000 0.213 679 R C -0.248 175.892 176.300 -0.266 0.000 1.059 679 R CA 1.029 56.845 56.100 -0.474 0.000 1.000 679 R CB 0.471 30.025 30.300 -1.243 0.000 0.910 679 R HN 0.840 nan 8.270 nan 0.000 0.455 680 G N 0.500 109.185 108.800 -0.192 0.000 3.088 680 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.620 680 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.620 680 G C -0.912 173.957 174.900 -0.052 0.000 1.375 680 G CA -0.451 44.575 45.100 -0.123 0.000 1.016 680 G HN 0.090 nan 8.290 nan 0.000 0.590 681 D N 0.634 121.009 120.400 -0.042 0.000 2.123 681 D HA -0.122 4.517 4.640 -0.001 0.000 0.196 681 D C 2.754 179.047 176.300 -0.012 0.000 0.992 681 D CA 1.758 55.745 54.000 -0.022 0.000 0.833 681 D CB 0.042 40.837 40.800 -0.009 0.000 0.954 681 D HN 0.379 nan 8.370 nan 0.000 0.455 682 V N 0.780 120.693 119.914 -0.001 0.000 2.214 682 V HA -0.255 3.865 4.120 -0.001 0.000 0.245 682 V C 2.134 178.253 176.094 0.041 0.000 1.047 682 V CA 1.568 63.876 62.300 0.012 0.000 0.998 682 V CB -0.739 31.089 31.823 0.008 0.000 0.633 682 V HN 0.064 nan 8.190 nan 0.000 0.446 683 F N 0.659 120.543 119.950 -0.109 0.000 2.032 683 F HA -0.266 4.261 4.527 -0.001 0.000 0.297 683 F C 2.060 177.788 175.800 -0.119 0.000 1.125 683 F CA 1.930 59.860 58.000 -0.117 0.000 1.202 683 F CB -0.598 38.309 39.000 -0.155 0.000 0.958 683 F HN 0.009 nan 8.300 nan 0.000 0.491 684 L N 0.126 121.307 121.223 -0.070 0.000 2.642 684 L HA -0.026 4.314 4.340 -0.001 0.000 0.236 684 L C 1.740 178.520 176.870 -0.150 0.000 1.169 684 L CA 0.760 55.496 54.840 -0.172 0.000 0.851 684 L CB -1.525 40.470 42.059 -0.107 0.000 0.968 684 L HN 0.546 nan 8.230 nan 0.000 0.453 685 G N 1.244 109.973 108.800 -0.118 0.000 2.258 685 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.274 685 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.274 685 G C 0.142 175.005 174.900 -0.062 0.000 1.021 685 G CA 1.143 46.190 45.100 -0.089 0.000 0.798 685 G HN 0.578 nan 8.290 nan 0.000 0.507 686 K N -2.070 118.300 120.400 -0.051 0.000 2.548 686 K HA 0.695 5.014 4.320 -0.001 0.000 0.282 686 K C -0.652 175.934 176.600 -0.022 0.000 1.006 686 K CA -1.020 55.247 56.287 -0.035 0.000 0.892 686 K CB 0.932 33.410 32.500 -0.038 0.000 1.499 686 K HN 0.046 nan 8.250 nan 0.000 0.433 687 Q N 1.681 121.474 119.800 -0.012 0.000 2.560 687 Q HA 0.152 4.492 4.340 -0.001 0.000 0.238 687 Q C -0.897 175.106 176.000 0.004 0.000 1.079 687 Q CA -0.596 55.206 55.803 -0.001 0.000 0.866 687 Q CB 1.101 29.840 28.738 0.003 0.000 1.153 687 Q HN 0.628 nan 8.270 nan 0.000 0.530 688 E N -0.005 120.199 120.200 0.007 0.000 2.369 688 E HA 0.260 4.609 4.350 -0.001 0.000 0.255 688 E C 0.266 176.884 176.600 0.031 0.000 1.172 688 E CA -0.895 55.515 56.400 0.018 0.000 0.932 688 E CB 0.774 30.486 29.700 0.020 0.000 1.040 688 E HN 0.232 nan 8.360 nan 0.000 0.454 689 V N -0.113 119.822 119.914 0.037 0.000 2.814 689 V HA -0.092 4.028 4.120 -0.001 0.000 0.298 689 V C 0.604 176.730 176.094 0.053 0.000 1.195 689 V CA 0.341 62.667 62.300 0.043 0.000 1.323 689 V CB -1.127 30.726 31.823 0.049 0.000 0.842 689 V HN 0.818 nan 8.190 nan 0.000 0.494 690 T N 3.606 118.185 114.554 0.042 0.000 2.855 690 T HA 0.207 4.557 4.350 -0.001 0.000 0.322 690 T C 1.214 175.940 174.700 0.043 0.000 1.088 690 T CA -0.005 62.119 62.100 0.040 0.000 1.104 690 T CB 0.554 69.436 68.868 0.022 0.000 0.996 690 T HN 0.525 nan 8.240 nan 0.000 0.549 691 I N 2.146 122.736 120.570 0.034 0.000 2.151 691 I HA -0.140 4.030 4.170 -0.001 0.000 0.243 691 I C 2.840 178.879 176.117 -0.130 0.000 1.080 691 I CA 2.112 63.387 61.300 -0.042 0.000 1.339 691 I CB -2.218 35.736 38.000 -0.076 0.000 1.039 691 I HN 0.978 nan 8.210 nan 0.000 0.409 692 G N 0.001 108.754 108.800 -0.079 0.000 2.491 692 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 692 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 692 G C 1.858 176.743 174.900 -0.025 0.000 1.180 692 G CA 1.301 46.363 45.100 -0.063 0.000 0.774 692 G HN 0.425 nan 8.290 nan 0.000 0.562 693 S N 0.283 115.986 115.700 0.004 0.000 2.402 693 S HA -0.160 4.309 4.470 -0.001 0.000 0.233 693 S C 2.194 176.823 174.600 0.049 0.000 1.030 693 S CA 1.983 60.200 58.200 0.029 0.000 1.003 693 S CB -0.456 62.765 63.200 0.035 0.000 0.813 693 S HN 0.630 nan 8.310 nan 0.000 0.477 694 N N -0.296 118.437 118.700 0.056 0.000 2.109 694 N HA -0.033 4.707 4.740 -0.001 0.000 0.188 694 N C 1.699 177.277 175.510 0.113 0.000 1.034 694 N CA 1.303 54.422 53.050 0.115 0.000 0.846 694 N CB -0.142 38.482 38.487 0.228 0.000 1.010 694 N HN 0.168 nan 8.380 nan 0.000 0.425 695 V N 0.997 120.920 119.914 0.014 0.000 2.380 695 V HA -0.246 3.874 4.120 -0.001 0.000 0.251 695 V C 2.083 178.240 176.094 0.105 0.000 1.063 695 V CA 1.611 63.932 62.300 0.034 0.000 1.055 695 V CB -0.557 31.213 31.823 -0.087 0.000 0.657 695 V HN 0.302 nan 8.190 nan 0.000 0.455 696 S N -0.662 115.086 115.700 0.079 0.000 2.383 696 S HA -0.198 4.272 4.470 -0.001 0.000 0.229 696 S C 2.021 176.732 174.600 0.185 0.000 1.030 696 S CA 1.167 59.450 58.200 0.139 0.000 1.002 696 S CB -0.259 62.994 63.200 0.088 0.000 0.829 696 S HN 0.503 nan 8.310 nan 0.000 0.467 697 K N 1.421 121.896 120.400 0.125 0.000 2.002 697 K HA 0.047 4.367 4.320 -0.001 0.000 0.209 697 K C 2.004 178.666 176.600 0.103 0.000 1.048 697 K CA 1.069 57.411 56.287 0.092 0.000 0.930 697 K CB -0.803 31.733 32.500 0.059 0.000 0.714 697 K HN 0.398 nan 8.250 nan 0.000 0.438 698 I N 0.246 120.895 120.570 0.133 0.000 2.208 698 I HA -0.320 3.849 4.170 -0.001 0.000 0.245 698 I C 2.511 178.733 176.117 0.175 0.000 1.097 698 I CA 1.325 62.716 61.300 0.152 0.000 1.363 698 I CB -0.414 37.697 38.000 0.184 0.000 1.051 698 I HN 0.081 nan 8.210 nan 0.000 0.413 699 Y N 2.088 122.426 120.300 0.062 0.000 2.128 699 Y HA -0.283 4.267 4.550 -0.001 0.000 0.284 699 Y C 2.388 178.315 175.900 0.045 0.000 1.154 699 Y CA 1.810 59.934 58.100 0.040 0.000 1.149 699 Y CB -0.418 38.048 38.460 0.009 0.000 0.976 699 Y HN 0.167 nan 8.280 nan 0.000 0.505 700 E N -0.045 120.143 120.200 -0.020 0.000 2.204 700 E HA -0.179 4.171 4.350 -0.001 0.000 0.195 700 E C 2.242 178.800 176.600 -0.070 0.000 0.990 700 E CA 0.854 57.186 56.400 -0.113 0.000 0.821 700 E CB -0.276 29.439 29.700 0.026 0.000 0.750 700 E HN 0.604 nan 8.360 nan 0.000 0.477 701 A N 0.672 123.503 122.820 0.018 0.000 2.014 701 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 701 A C 2.063 179.690 177.584 0.072 0.000 1.163 701 A CA 0.720 52.820 52.037 0.105 0.000 0.652 701 A CB -0.255 18.881 19.000 0.226 0.000 0.808 701 A HN 0.124 nan 8.150 nan 0.000 0.449 702 I N -0.717 119.853 120.570 -0.000 0.000 2.277 702 I HA -0.153 4.017 4.170 -0.001 0.000 0.243 702 I C 2.155 178.219 176.117 -0.087 0.000 1.094 702 I CA 0.860 62.144 61.300 -0.027 0.000 1.393 702 I CB -0.179 37.808 38.000 -0.022 0.000 1.078 702 I HN 0.093 nan 8.210 nan 0.000 0.417 703 K N 1.010 121.276 120.400 -0.223 0.000 2.097 703 K HA -0.107 4.212 4.320 -0.001 0.000 0.206 703 K C 2.251 178.794 176.600 -0.095 0.000 1.049 703 K CA 1.832 57.990 56.287 -0.215 0.000 0.933 703 K CB -0.721 31.540 32.500 -0.400 0.000 0.717 703 K HN 0.418 nan 8.250 nan 0.000 0.442 704 S N -0.631 115.028 115.700 -0.067 0.000 2.428 704 S HA 0.025 4.494 4.470 -0.001 0.000 0.230 704 S C 1.502 176.112 174.600 0.016 0.000 1.014 704 S CA 0.994 59.184 58.200 -0.016 0.000 0.957 704 S CB -0.182 63.021 63.200 0.004 0.000 0.784 704 S HN 0.423 nan 8.310 nan 0.000 0.499 705 G N 1.619 110.434 108.800 0.025 0.000 2.141 705 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.231 705 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.231 705 G C 0.704 175.626 174.900 0.037 0.000 0.984 705 G CA 0.378 45.508 45.100 0.050 0.000 0.660 705 G HN 0.599 nan 8.290 nan 0.000 0.525 706 R N 0.122 120.657 120.500 0.058 0.000 2.092 706 R HA 0.206 4.545 4.340 -0.001 0.000 0.231 706 R C 2.412 178.688 176.300 -0.040 0.000 1.119 706 R CA 1.425 57.577 56.100 0.086 0.000 0.970 706 R CB -0.221 30.209 30.300 0.216 0.000 0.864 706 R HN 0.571 nan 8.270 nan 0.000 0.440 707 I N 1.366 121.890 120.570 -0.076 0.000 2.830 707 I HA -0.195 3.975 4.170 -0.001 0.000 0.263 707 I C 0.670 176.623 176.117 -0.273 0.000 1.230 707 I CA 0.743 61.826 61.300 -0.361 0.000 1.480 707 I CB -0.108 37.819 38.000 -0.121 0.000 1.095 707 I HN 0.254 nan 8.210 nan 0.000 0.455 708 N N 1.700 120.318 118.700 -0.136 0.000 2.061 708 N HA -0.224 4.516 4.740 -0.001 0.000 0.193 708 N C 1.458 176.895 175.510 -0.121 0.000 1.030 708 N CA 1.545 54.534 53.050 -0.101 0.000 0.856 708 N CB -0.674 37.791 38.487 -0.036 0.000 1.023 708 N HN 0.424 nan 8.380 nan 0.000 0.424 709 N N 0.393 119.018 118.700 -0.125 0.000 2.331 709 N HA -0.083 4.657 4.740 -0.001 0.000 0.180 709 N C 1.731 177.150 175.510 -0.152 0.000 1.019 709 N CA 0.445 53.430 53.050 -0.109 0.000 0.881 709 N CB -0.093 38.351 38.487 -0.072 0.000 0.972 709 N HN 0.165 nan 8.380 nan 0.000 0.435 710 V N 0.768 120.521 119.914 -0.268 0.000 2.809 710 V HA -0.029 4.091 4.120 -0.001 0.000 0.256 710 V C 1.831 177.812 176.094 -0.188 0.000 1.080 710 V CA 0.899 63.030 62.300 -0.282 0.000 1.102 710 V CB -0.239 31.234 31.823 -0.582 0.000 0.705 710 V HN 0.139 nan 8.190 nan 0.000 0.475 711 L N -0.799 120.320 121.223 -0.174 0.000 2.068 711 L HA 0.004 4.343 4.340 -0.001 0.000 0.204 711 L C 2.444 179.262 176.870 -0.087 0.000 1.076 711 L CA 1.391 56.163 54.840 -0.114 0.000 0.753 711 L CB -0.625 41.373 42.059 -0.102 0.000 0.910 711 L HN 0.405 nan 8.230 nan 0.000 0.439 712 L N 0.475 121.646 121.223 -0.087 0.000 2.046 712 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 712 L C 1.637 178.472 176.870 -0.058 0.000 1.077 712 L CA 1.547 56.345 54.840 -0.069 0.000 0.747 712 L CB -0.485 41.536 42.059 -0.064 0.000 0.896 712 L HN 0.073 nan 8.230 nan 0.000 0.432 716 A N 0.000 122.797 122.820 -0.038 0.000 2.254 716 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 716 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 716 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 716 A HN 0.000 nan 8.150 nan 0.000 0.486